data_17717 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17717 _Entry.PDB_ID 2LEM save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 17717 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 GLU N N 2 121.678 121.678 122.323 -0.645 17717 2 1 1 . 1 1 2 2 GLU HA H 2 4.488 4.488 4.622 -0.134 17717 3 1 1 . 1 1 2 2 GLU CA C 2 56.418 56.418 54.927 1.491 17717 4 1 1 . 1 1 2 2 GLU CB C 2 29.014 29.014 30.854 -1.840 17717 5 1 1 . 1 1 2 2 GLU H H 2 8.276 8.276 8.308 -0.032 17717 6 1 1 . 1 1 3 3 PRO CA C 3 62.923 62.923 63.548 -0.625 17717 7 1 1 . 1 1 3 3 PRO CB C 3 31.547 31.547 32.559 -1.012 17717 8 1 1 . 1 1 4 4 GLN N N 4 121.147 121.147 124.301 -3.154 17717 9 1 1 . 1 1 4 4 GLN HA H 4 4.349 4.349 4.472 -0.123 17717 10 1 1 . 1 1 4 4 GLN CA C 4 55.450 55.450 56.379 -0.929 17717 11 1 1 . 1 1 4 4 GLN CB C 4 28.854 28.854 30.112 -1.258 17717 12 1 1 . 1 1 4 4 GLN H H 4 8.500 8.500 9.068 -0.568 17717 13 1 1 . 1 1 5 5 SER N N 5 117.429 117.429 114.665 2.764 17717 14 1 1 . 1 1 5 5 SER HA H 5 4.329 4.329 3.440 0.889 17717 15 1 1 . 1 1 5 5 SER CA C 5 58.100 58.100 58.078 0.022 17717 16 1 1 . 1 1 5 5 SER CB C 5 63.485 63.485 64.004 -0.519 17717 17 1 1 . 1 1 5 5 SER H H 5 8.370 8.370 8.266 0.104 17717 18 1 1 . 1 1 6 6 GLN N N 6 123.803 123.803 121.904 1.899 17717 19 1 1 . 1 1 6 6 GLN CA C 6 56.330 56.330 58.576 -2.246 17717 20 1 1 . 1 1 6 6 GLN CB C 6 28.800 28.800 28.580 0.220 17717 21 1 1 . 1 1 6 6 GLN H H 6 8.620 8.620 8.583 0.037 17717 22 1 1 . 1 1 7 7 TRP N N 7 119.022 119.022 119.816 -0.794 17717 23 1 1 . 1 1 7 7 TRP HA H 7 4.394 4.394 4.487 -0.093 17717 24 1 1 . 1 1 7 7 TRP CA C 7 59.800 59.800 59.669 0.131 17717 25 1 1 . 1 1 7 7 TRP CB C 7 27.800 27.800 28.280 -0.481 17717 26 1 1 . 1 1 7 7 TRP H H 7 7.970 7.970 8.345 -0.375 17717 27 1 1 . 1 1 8 8 ASP N N 8 121.678 121.678 120.039 1.639 17717 28 1 1 . 1 1 8 8 ASP HA H 8 4.409 4.409 4.395 0.014 17717 29 1 1 . 1 1 8 8 ASP CA C 8 56.912 56.912 57.489 -0.577 17717 30 1 1 . 1 1 8 8 ASP CB C 8 38.400 38.400 39.771 -1.371 17717 31 1 1 . 1 1 8 8 ASP H H 8 8.440 8.440 7.607 0.833 17717 32 1 1 . 1 1 9 9 LYS N N 9 120.616 120.616 120.830 -0.214 17717 33 1 1 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.126 -0.036 17717 34 1 1 . 1 1 9 9 LYS CA C 9 58.277 58.277 58.701 -0.424 17717 35 1 1 . 1 1 9 9 LYS CB C 9 31.550 31.550 32.117 -0.567 17717 36 1 1 . 1 1 9 9 LYS H H 9 7.830 7.830 7.267 0.563 17717 37 1 1 . 1 1 10 10 VAL N N 10 118.491 118.491 115.939 2.552 17717 38 1 1 . 1 1 10 10 VAL HA H 10 3.830 3.830 4.218 -0.388 17717 39 1 1 . 1 1 10 10 VAL CA C 10 65.630 65.630 66.824 -1.194 17717 40 1 1 . 1 1 10 10 VAL CB C 10 31.300 31.300 31.217 0.083 17717 41 1 1 . 1 1 10 10 VAL H H 10 7.160 7.160 8.272 -1.112 17717 42 1 1 . 1 1 11 11 LYS N N 11 122.210 122.210 119.394 2.816 17717 43 1 1 . 1 1 11 11 LYS HA H 11 3.880 3.880 3.896 -0.016 17717 44 1 1 . 1 1 11 11 LYS CA C 11 59.460 59.460 59.410 0.050 17717 45 1 1 . 1 1 11 11 LYS CB C 11 31.200 31.200 32.081 -0.881 17717 46 1 1 . 1 1 11 11 LYS H H 11 8.660 8.660 7.772 0.888 17717 47 1 1 . 1 1 12 12 ASP N N 12 119.553 119.553 120.383 -0.830 17717 48 1 1 . 1 1 12 12 ASP HA H 12 4.140 4.140 4.544 -0.404 17717 49 1 1 . 1 1 12 12 ASP CA C 12 57.381 57.381 57.609 -0.228 17717 50 1 1 . 1 1 12 12 ASP CB C 12 39.800 39.800 41.034 -1.234 17717 51 1 1 . 1 1 12 12 ASP H H 12 7.790 7.790 7.932 -0.142 17717 52 1 1 . 1 1 13 13 PHE N N 13 116.500 116.500 118.975 -2.475 17717 53 1 1 . 1 1 13 13 PHE HA H 13 4.690 4.690 4.307 0.383 17717 54 1 1 . 1 1 13 13 PHE CA C 13 58.662 58.662 60.338 -1.676 17717 55 1 1 . 1 1 13 13 PHE CB C 13 38.700 38.700 38.084 0.616 17717 56 1 1 . 1 1 13 13 PHE H H 13 7.680 7.680 7.752 -0.072 17717 57 1 1 . 1 1 14 14 ALA N N 14 122.209 122.209 122.485 -0.276 17717 58 1 1 . 1 1 14 14 ALA HA H 14 4.008 4.008 3.651 0.357 17717 59 1 1 . 1 1 14 14 ALA CA C 14 54.550 54.550 54.718 -0.168 17717 60 1 1 . 1 1 14 14 ALA CB C 14 17.250 17.250 18.065 -0.815 17717 61 1 1 . 1 1 14 14 ALA H H 14 8.760 8.760 7.397 1.363 17717 62 1 1 . 1 1 15 15 ASN N N 15 119.553 119.553 114.988 4.565 17717 63 1 1 . 1 1 15 15 ASN HA H 15 4.520 4.520 4.292 0.228 17717 64 1 1 . 1 1 15 15 ASN CA C 15 56.084 56.084 55.141 0.943 17717 65 1 1 . 1 1 15 15 ASN CB C 15 38.544 38.544 38.401 0.143 17717 66 1 1 . 1 1 15 15 ASN H H 15 8.930 8.930 7.585 1.345 17717 67 1 1 . 1 1 16 16 VAL N N 16 116.897 116.897 121.831 -4.934 17717 68 1 1 . 1 1 16 16 VAL HA H 16 3.590 3.590 3.674 -0.084 17717 69 1 1 . 1 1 16 16 VAL CA C 16 64.600 64.600 67.670 -3.070 17717 70 1 1 . 1 1 16 16 VAL CB C 16 31.800 31.800 31.637 0.163 17717 71 1 1 . 1 1 16 16 VAL H H 16 7.870 7.870 7.530 0.340 17717 72 1 1 . 1 1 17 17 TYR N N 17 112.116 112.116 117.689 -5.573 17717 73 1 1 . 1 1 17 17 TYR HA H 17 4.751 4.751 4.358 0.393 17717 74 1 1 . 1 1 17 17 TYR CA C 17 59.040 59.040 60.819 -1.779 17717 75 1 1 . 1 1 17 17 TYR CB C 17 39.060 39.060 37.175 1.885 17717 76 1 1 . 1 1 17 17 TYR H H 17 8.000 8.000 8.076 -0.076 17717 77 1 1 . 1 1 18 18 VAL N N 18 114.241 114.241 120.804 -6.563 17717 78 1 1 . 1 1 18 18 VAL HA H 18 4.220 4.220 3.428 0.792 17717 79 1 1 . 1 1 18 18 VAL CA C 18 63.520 63.520 66.537 -3.017 17717 80 1 1 . 1 1 18 18 VAL CB C 18 31.128 31.128 31.307 -0.179 17717 81 1 1 . 1 1 18 18 VAL H H 18 7.600 7.600 6.778 0.822 17717 82 1 1 . 1 1 19 19 ASP N N 19 123.272 123.272 119.998 3.274 17717 83 1 1 . 1 1 19 19 ASP HA H 19 4.523 4.523 4.277 0.246 17717 84 1 1 . 1 1 19 19 ASP CA C 19 56.445 56.445 57.648 -1.204 17717 85 1 1 . 1 1 19 19 ASP CB C 19 38.700 38.700 40.838 -2.138 17717 86 1 1 . 1 1 19 19 ASP H H 19 8.890 8.890 8.129 0.761 17717 87 1 1 . 1 1 20 20 ALA N N 20 118.491 118.491 122.809 -4.318 17717 88 1 1 . 1 1 20 20 ALA HA H 20 4.230 4.230 4.286 -0.056 17717 89 1 1 . 1 1 20 20 ALA CA C 20 54.100 54.100 55.338 -1.238 17717 90 1 1 . 1 1 20 20 ALA CB C 20 18.760 18.760 19.030 -0.270 17717 91 1 1 . 1 1 20 20 ALA H H 20 6.630 6.630 7.479 -0.849 17717 92 1 1 . 1 1 21 21 VAL N N 21 116.897 116.897 116.761 0.136 17717 93 1 1 . 1 1 21 21 VAL HA H 21 3.664 3.664 3.413 0.251 17717 94 1 1 . 1 1 21 21 VAL CA C 21 66.200 66.200 65.520 0.679 17717 95 1 1 . 1 1 21 21 VAL CB C 21 30.460 30.460 31.321 -0.861 17717 96 1 1 . 1 1 21 21 VAL H H 21 7.410 7.410 7.769 -0.359 17717 97 1 1 . 1 1 22 22 LYS N N 22 121.147 121.147 120.213 0.934 17717 98 1 1 . 1 1 22 22 LYS HA H 22 4.222 4.222 3.996 0.226 17717 99 1 1 . 1 1 22 22 LYS CA C 22 59.300 59.300 59.126 0.174 17717 100 1 1 . 1 1 22 22 LYS CB C 22 31.100 31.100 31.981 -0.881 17717 101 1 1 . 1 1 22 22 LYS H H 22 8.180 8.180 8.131 0.049 17717 102 1 1 . 1 1 23 23 ASP N N 23 121.278 121.278 119.094 2.184 17717 103 1 1 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.517 0.049 17717 104 1 1 . 1 1 23 23 ASP CA C 23 56.300 56.300 56.954 -0.654 17717 105 1 1 . 1 1 23 23 ASP CB C 23 38.800 38.800 40.772 -1.972 17717 106 1 1 . 1 1 23 23 ASP H H 23 8.860 8.860 7.875 0.985 17717 107 1 1 . 1 1 24 24 SER N N 24 118.491 118.491 115.159 3.332 17717 108 1 1 . 1 1 24 24 SER HA H 24 4.132 4.132 3.753 0.379 17717 109 1 1 . 1 1 24 24 SER CA C 24 61.600 61.600 60.841 0.759 17717 110 1 1 . 1 1 24 24 SER CB C 24 62.442 62.442 62.128 0.314 17717 111 1 1 . 1 1 24 24 SER H H 24 7.950 7.950 8.116 -0.166 17717 112 1 1 . 1 1 25 25 GLY N N 25 108.377 108.377 110.830 -2.453 17717 113 1 1 . 1 1 25 25 GLY CA C 25 44.400 44.400 46.675 -2.275 17717 114 1 1 . 1 1 25 25 GLY H H 25 7.560 7.560 7.646 -0.086 17717 115 1 1 . 1 1 26 26 ARG N N 26 124.240 124.240 121.397 2.843 17717 116 1 1 . 1 1 26 26 ARG HA H 26 4.303 4.303 4.112 0.191 17717 117 1 1 . 1 1 26 26 ARG CA C 26 54.000 54.000 58.443 -4.443 17717 118 1 1 . 1 1 26 26 ARG CB C 26 28.240 28.240 29.819 -1.579 17717 119 1 1 . 1 1 26 26 ARG H H 26 8.200 8.200 7.696 0.504 17717 120 1 1 . 1 1 27 27 ASP N N 27 121.678 121.678 118.266 3.412 17717 121 1 1 . 1 1 27 27 ASP HA H 27 4.211 4.211 4.524 -0.313 17717 122 1 1 . 1 1 27 27 ASP CA C 27 58.380 58.380 57.129 1.251 17717 123 1 1 . 1 1 27 27 ASP CB C 27 40.400 40.400 41.542 -1.142 17717 124 1 1 . 1 1 27 27 ASP H H 27 7.880 7.880 7.649 0.231 17717 125 1 1 . 1 1 28 28 TYR N N 28 121.440 121.440 122.090 -0.650 17717 126 1 1 . 1 1 28 28 TYR HA H 28 4.480 4.480 4.427 0.053 17717 127 1 1 . 1 1 28 28 TYR CA C 28 57.800 57.800 59.923 -2.123 17717 128 1 1 . 1 1 28 28 TYR CB C 28 38.322 38.322 38.657 -0.335 17717 129 1 1 . 1 1 28 28 TYR H H 28 8.020 8.020 8.229 -0.209 17717 130 1 1 . 1 1 29 29 VAL N N 29 123.272 123.272 118.470 4.802 17717 131 1 1 . 1 1 29 29 VAL HA H 29 4.040 4.040 3.403 0.637 17717 132 1 1 . 1 1 29 29 VAL CA C 29 66.400 66.400 64.765 1.635 17717 133 1 1 . 1 1 29 29 VAL CB C 29 30.500 30.500 30.861 -0.361 17717 134 1 1 . 1 1 29 29 VAL H H 29 8.280 8.280 8.279 0.001 17717 135 1 1 . 1 1 30 30 SER N N 30 117.429 117.429 116.228 1.201 17717 136 1 1 . 1 1 30 30 SER HA H 30 4.000 4.000 4.104 -0.104 17717 137 1 1 . 1 1 30 30 SER CA C 30 61.070 61.070 61.974 -0.904 17717 138 1 1 . 1 1 30 30 SER CB C 30 62.000 62.000 62.741 -0.741 17717 139 1 1 . 1 1 30 30 SER H H 30 8.930 8.930 7.593 1.337 17717 140 1 1 . 1 1 31 31 GLN N N 31 121.147 121.147 121.452 -0.305 17717 141 1 1 . 1 1 31 31 GLN HA H 31 4.136 4.136 4.064 0.072 17717 142 1 1 . 1 1 31 31 GLN CA C 31 58.210 58.210 58.632 -0.422 17717 143 1 1 . 1 1 31 31 GLN CB C 31 27.600 27.600 28.555 -0.955 17717 144 1 1 . 1 1 31 31 GLN H H 31 7.740 7.740 7.448 0.292 17717 145 1 1 . 1 1 32 32 PHE N N 32 117.429 117.429 119.925 -2.496 17717 146 1 1 . 1 1 32 32 PHE HA H 32 4.020 4.020 4.020 0.000 17717 147 1 1 . 1 1 32 32 PHE CA C 32 60.600 60.600 61.428 -0.828 17717 148 1 1 . 1 1 32 32 PHE CB C 32 36.896 36.896 38.819 -1.923 17717 149 1 1 . 1 1 32 32 PHE H H 32 7.200 7.200 7.678 -0.478 17717 150 1 1 . 1 1 33 33 GLU N N 33 122.210 122.210 118.327 3.883 17717 151 1 1 . 1 1 33 33 GLU HA H 33 4.769 4.769 3.598 1.171 17717 152 1 1 . 1 1 33 33 GLU CA C 33 59.220 59.220 58.783 0.437 17717 153 1 1 . 1 1 33 33 GLU CB C 33 29.240 29.240 29.082 0.158 17717 154 1 1 . 1 1 33 33 GLU H H 33 8.160 8.160 7.877 0.283 17717 155 1 1 . 1 1 34 34 SER N N 34 109.991 109.991 113.690 -3.699 17717 156 1 1 . 1 1 34 34 SER HA H 34 4.309 4.309 4.262 0.047 17717 157 1 1 . 1 1 34 34 SER CA C 34 58.240 58.240 60.599 -2.359 17717 158 1 1 . 1 1 34 34 SER CB C 34 63.260 63.260 62.840 0.420 17717 159 1 1 . 1 1 34 34 SER H H 34 7.890 7.890 7.712 0.178 17717 160 1 1 . 1 1 35 35 SER N N 35 120.085 120.085 117.487 2.598 17717 161 1 1 . 1 1 35 35 SER HA H 35 4.354 4.354 4.120 0.234 17717 162 1 1 . 1 1 35 35 SER CA C 35 58.100 58.100 61.645 -3.545 17717 163 1 1 . 1 1 35 35 SER CB C 35 64.398 64.398 62.613 1.785 17717 164 1 1 . 1 1 35 35 SER H H 35 7.420 7.420 7.861 -0.441 17717 165 1 1 . 1 1 36 36 SER N N 36 116.130 116.130 118.951 -2.821 17717 166 1 1 . 1 1 36 36 SER HA H 36 4.350 4.350 4.127 0.223 17717 167 1 1 . 1 1 36 36 SER CA C 36 58.600 58.600 61.906 -3.306 17717 168 1 1 . 1 1 36 36 SER CB C 36 63.370 63.370 62.830 0.540 17717 169 1 1 . 1 1 36 36 SER H H 36 8.100 8.100 7.571 0.529 17717 170 1 1 . 1 1 37 37 LEU N N 37 121.678 121.678 121.467 0.211 17717 171 1 1 . 1 1 37 37 LEU HA H 37 4.222 4.222 4.114 0.108 17717 172 1 1 . 1 1 37 37 LEU CA C 37 56.400 56.400 57.080 -0.680 17717 173 1 1 . 1 1 37 37 LEU CB C 37 41.200 41.200 41.839 -0.639 17717 174 1 1 . 1 1 37 37 LEU H H 37 8.290 8.290 7.454 0.836 17717 175 1 1 . 1 1 38 38 GLY N N 38 108.400 108.400 105.488 2.912 17717 176 1 1 . 1 1 38 38 GLY CA C 38 46.220 46.220 46.540 -0.320 17717 177 1 1 . 1 1 38 38 GLY H H 38 7.280 7.280 7.981 -0.701 17717 178 1 1 . 1 1 39 39 GLN N N 39 120.920 120.920 122.761 -1.841 17717 179 1 1 . 1 1 39 39 GLN HA H 39 4.092 4.092 4.088 0.004 17717 180 1 1 . 1 1 39 39 GLN CA C 39 57.423 57.423 58.908 -1.485 17717 181 1 1 . 1 1 39 39 GLN CB C 39 28.847 28.847 28.480 0.367 17717 182 1 1 . 1 1 39 39 GLN H H 39 8.360 8.360 7.976 0.384 17717 183 1 1 . 1 1 40 40 GLN N N 40 118.648 118.648 118.972 -0.324 17717 184 1 1 . 1 1 40 40 GLN HA H 40 4.040 4.040 4.110 -0.070 17717 185 1 1 . 1 1 40 40 GLN CA C 40 57.471 57.471 58.504 -1.033 17717 186 1 1 . 1 1 40 40 GLN CB C 40 28.777 28.777 28.477 0.300 17717 187 1 1 . 1 1 40 40 GLN H H 40 7.630 7.630 7.700 -0.070 17717 188 1 1 . 1 1 41 41 LEU N N 41 116.800 116.800 122.042 -5.242 17717 189 1 1 . 1 1 41 41 LEU HA H 41 4.222 4.222 4.019 0.203 17717 190 1 1 . 1 1 41 41 LEU CA C 41 55.400 55.400 58.137 -2.737 17717 191 1 1 . 1 1 41 41 LEU CB C 41 41.754 41.754 42.142 -0.389 17717 192 1 1 . 1 1 41 41 LEU H H 41 8.010 8.010 7.838 0.172 17717 193 1 1 . 1 1 42 42 ASN N N 42 115.840 115.840 117.504 -1.664 17717 194 1 1 . 1 1 42 42 ASN HA H 42 4.485 4.485 4.403 0.082 17717 195 1 1 . 1 1 42 42 ASN CA C 42 53.500 53.500 56.358 -2.858 17717 196 1 1 . 1 1 42 42 ASN CB C 42 37.000 37.000 38.660 -1.661 17717 197 1 1 . 1 1 42 42 ASN H H 42 7.840 7.840 7.949 -0.109 17717 198 1 1 . 1 1 43 43 LEU N N 43 118.490 118.490 120.844 -2.354 17717 199 1 1 . 1 1 43 43 LEU HA H 43 4.480 4.480 4.050 0.430 17717 200 1 1 . 1 1 43 43 LEU CA C 43 55.502 55.502 57.724 -2.222 17717 201 1 1 . 1 1 43 43 LEU CB C 43 41.200 41.200 41.178 0.022 17717 202 1 1 . 1 1 43 43 LEU H H 43 9.670 9.670 7.959 1.711 17717 203 1 1 . 1 1 44 44 ASN N N 44 119.553 119.553 117.564 1.989 17717 204 1 1 . 1 1 44 44 ASN HA H 44 4.520 4.520 4.454 0.066 17717 205 1 1 . 1 1 44 44 ASN CA C 44 52.770 52.770 56.750 -3.980 17717 206 1 1 . 1 1 44 44 ASN CB C 44 36.200 36.200 38.373 -2.173 17717 207 1 1 . 1 1 44 44 ASN H H 44 8.950 8.950 7.974 0.976 17717 208 1 1 . 1 1 45 45 LEU N N 45 119.553 119.553 117.777 1.776 17717 209 1 1 . 1 1 45 45 LEU HA H 45 4.048 4.048 4.242 -0.194 17717 210 1 1 . 1 1 45 45 LEU CA C 45 55.569 55.569 57.681 -2.112 17717 211 1 1 . 1 1 45 45 LEU CB C 45 41.250 41.250 41.559 -0.309 17717 212 1 1 . 1 1 45 45 LEU H H 45 8.970 8.970 7.479 1.491 17717 213 1 1 . 1 1 46 46 LEU N N 46 116.900 116.900 118.557 -1.657 17717 214 1 1 . 1 1 46 46 LEU HA H 46 4.351 4.351 4.214 0.137 17717 215 1 1 . 1 1 46 46 LEU CA C 46 54.684 54.684 57.390 -2.706 17717 216 1 1 . 1 1 46 46 LEU CB C 46 39.800 39.800 42.054 -2.254 17717 217 1 1 . 1 1 46 46 LEU H H 46 8.450 8.450 7.183 1.267 17717 218 1 1 . 1 1 47 47 GLU N N 47 122.741 122.741 118.165 4.576 17717 219 1 1 . 1 1 47 47 GLU HA H 47 4.018 4.018 4.086 -0.068 17717 220 1 1 . 1 1 47 47 GLU CA C 47 58.280 58.280 59.200 -0.920 17717 221 1 1 . 1 1 47 47 GLU CB C 47 28.800 28.800 29.608 -0.808 17717 222 1 1 . 1 1 47 47 GLU H H 47 7.490 7.490 7.946 -0.456 17717 223 1 1 . 1 1 48 48 ASN N N 48 117.200 117.200 118.878 -1.678 17717 224 1 1 . 1 1 48 48 ASN HA H 48 4.300 4.300 4.483 -0.183 17717 225 1 1 . 1 1 48 48 ASN CA C 48 53.550 53.550 55.809 -2.259 17717 226 1 1 . 1 1 48 48 ASN CB C 48 38.490 38.490 38.357 0.133 17717 227 1 1 . 1 1 48 48 ASN H H 48 8.450 8.450 8.594 -0.144 17717 228 1 1 . 1 1 49 49 TRP N N 49 119.320 119.320 119.222 0.098 17717 229 1 1 . 1 1 49 49 TRP HA H 49 4.300 4.300 4.400 -0.100 17717 230 1 1 . 1 1 49 49 TRP CA C 49 56.200 56.200 59.777 -3.577 17717 231 1 1 . 1 1 49 49 TRP CB C 49 27.800 27.800 29.678 -1.878 17717 232 1 1 . 1 1 49 49 TRP H H 49 8.050 8.050 7.737 0.313 17717 233 1 1 . 1 1 50 50 ASP N N 50 124.860 124.860 114.936 9.924 17717 234 1 1 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.600 0.090 17717 235 1 1 . 1 1 50 50 ASP CA C 50 54.180 54.180 54.859 -0.679 17717 236 1 1 . 1 1 50 50 ASP CB C 50 40.318 40.318 41.264 -0.946 17717 237 1 1 . 1 1 50 50 ASP H H 50 8.470 8.470 8.107 0.363 17717 238 1 1 . 1 1 51 51 THR N N 51 114.240 114.240 116.480 -2.240 17717 239 1 1 . 1 1 51 51 THR HA H 51 4.250 4.250 4.113 0.137 17717 240 1 1 . 1 1 51 51 THR CA C 51 61.800 61.800 64.563 -2.763 17717 241 1 1 . 1 1 51 51 THR CB C 51 69.000 69.000 69.351 -0.351 17717 242 1 1 . 1 1 51 51 THR H H 51 7.920 7.920 8.177 -0.257 17717 243 1 1 . 1 1 52 52 LEU N N 52 124.335 124.335 120.865 3.470 17717 244 1 1 . 1 1 52 52 LEU HA H 52 4.261 4.261 4.020 0.241 17717 245 1 1 . 1 1 52 52 LEU CA C 52 54.800 54.800 55.642 -0.842 17717 246 1 1 . 1 1 52 52 LEU CB C 52 41.200 41.200 41.136 0.064 17717 247 1 1 . 1 1 52 52 LEU H H 52 8.000 8.000 8.191 -0.191 17717 248 1 1 . 1 1 53 53 GLY N N 53 109.991 109.991 107.291 2.700 17717 249 1 1 . 1 1 53 53 GLY CA C 53 44.700 44.700 44.899 -0.199 17717 250 1 1 . 1 1 53 53 GLY H H 53 8.450 8.450 8.501 -0.051 17717 251 1 1 . 1 1 54 54 SER N N 54 113.710 113.710 113.888 -0.178 17717 252 1 1 . 1 1 54 54 SER HA H 54 4.480 4.480 4.371 0.109 17717 253 1 1 . 1 1 54 54 SER CA C 54 57.300 57.300 59.170 -1.871 17717 254 1 1 . 1 1 54 54 SER CB C 54 63.100 63.100 63.246 -0.146 17717 255 1 1 . 1 1 54 54 SER H H 54 8.060 8.060 7.951 0.109 17717 256 1 1 . 1 1 55 55 THR N N 55 116.897 116.897 113.751 3.146 17717 257 1 1 . 1 1 55 55 THR HA H 55 4.044 4.044 4.540 -0.496 17717 258 1 1 . 1 1 55 55 THR CA C 55 61.700 61.700 61.320 0.380 17717 259 1 1 . 1 1 55 55 THR CB C 55 69.800 69.800 70.360 -0.560 17717 260 1 1 . 1 1 55 55 THR H H 55 8.210 8.210 7.890 0.320 17717 261 1 1 . 1 1 56 56 VAL N N 56 123.300 123.300 117.432 5.868 17717 262 1 1 . 1 1 56 56 VAL HA H 56 3.793 3.793 4.556 -0.763 17717 263 1 1 . 1 1 56 56 VAL CA C 56 66.384 66.384 60.393 5.991 17717 264 1 1 . 1 1 56 56 VAL CB C 56 30.268 30.268 31.567 -1.299 17717 265 1 1 . 1 1 56 56 VAL H H 56 8.280 8.280 8.156 0.124 17717 266 1 1 . 1 1 57 57 SER N N 57 117.429 117.429 115.794 1.635 17717 267 1 1 . 1 1 57 57 SER HA H 57 4.136 4.136 4.142 -0.006 17717 268 1 1 . 1 1 57 57 SER CA C 57 61.100 61.100 60.778 0.322 17717 269 1 1 . 1 1 57 57 SER CB C 57 62.800 62.800 63.310 -0.510 17717 270 1 1 . 1 1 57 57 SER H H 57 7.850 7.850 8.546 -0.696 17717 271 1 1 . 1 1 58 58 GLN N N 58 128.580 128.580 113.917 14.663 17717 272 1 1 . 1 1 58 58 GLN HA H 58 4.260 4.260 4.302 -0.042 17717 273 1 1 . 1 1 58 58 GLN CA C 58 56.642 56.642 56.835 -0.193 17717 274 1 1 . 1 1 58 58 GLN CB C 58 29.023 29.023 28.703 0.320 17717 275 1 1 . 1 1 58 58 GLN H H 58 7.990 7.990 8.147 -0.157 17717 276 1 1 . 1 1 59 59 LEU N N 59 122.210 122.210 119.539 2.671 17717 277 1 1 . 1 1 59 59 LEU HA H 59 4.310 4.310 3.994 0.316 17717 278 1 1 . 1 1 59 59 LEU CA C 59 55.300 55.300 59.233 -3.933 17717 279 1 1 . 1 1 59 59 LEU CB C 59 41.160 41.160 40.938 0.222 17717 280 1 1 . 1 1 59 59 LEU H H 59 8.050 8.050 8.269 -0.219 17717 281 1 1 . 1 1 60 60 GLN N N 60 120.085 120.085 118.412 1.673 17717 282 1 1 . 1 1 60 60 GLN HA H 60 4.222 4.222 4.083 0.139 17717 283 1 1 . 1 1 60 60 GLN CA C 60 55.960 55.960 58.693 -2.733 17717 284 1 1 . 1 1 60 60 GLN CB C 60 27.900 27.900 27.882 0.018 17717 285 1 1 . 1 1 60 60 GLN H H 60 8.210 8.210 8.527 -0.317 17717 286 1 1 . 1 1 61 61 GLU N N 61 120.920 120.920 119.028 1.892 17717 287 1 1 . 1 1 61 61 GLU HA H 61 4.216 4.216 3.974 0.242 17717 288 1 1 . 1 1 61 61 GLU CA C 61 56.900 56.900 59.268 -2.368 17717 289 1 1 . 1 1 61 61 GLU CB C 61 28.500 28.500 29.434 -0.934 17717 290 1 1 . 1 1 61 61 GLU H H 61 8.590 8.590 8.479 0.111 17717 291 1 1 . 1 1 62 62 ARG N N 62 118.833 118.833 117.944 0.889 17717 292 1 1 . 1 1 62 62 ARG HA H 62 4.161 4.161 4.229 -0.068 17717 293 1 1 . 1 1 62 62 ARG CA C 62 58.030 58.030 58.007 0.023 17717 294 1 1 . 1 1 62 62 ARG CB C 62 29.400 29.400 30.340 -0.940 17717 295 1 1 . 1 1 62 62 ARG H H 62 7.680 7.680 8.295 -0.615 17717 296 1 1 . 1 1 63 63 LEU N N 63 118.790 118.790 120.697 -1.907 17717 297 1 1 . 1 1 63 63 LEU HA H 63 4.100 4.100 4.101 -0.001 17717 298 1 1 . 1 1 63 63 LEU CA C 63 56.360 56.360 57.565 -1.205 17717 299 1 1 . 1 1 63 63 LEU CB C 63 41.130 41.130 41.383 -0.253 17717 300 1 1 . 1 1 63 63 LEU H H 63 8.320 8.320 7.825 0.495 17717 301 1 1 . 1 1 64 64 GLY N N 64 104.679 104.679 108.095 -3.416 17717 302 1 1 . 1 1 64 64 GLY CA C 64 44.145 44.145 48.047 -3.902 17717 303 1 1 . 1 1 64 64 GLY H H 64 7.220 7.220 8.316 -1.096 17717 304 1 1 . 1 1 65 65 PRO CA C 65 62.817 62.817 64.837 -2.020 17717 305 1 1 . 1 1 65 65 PRO CB C 65 31.290 31.290 31.417 -0.127 17717 306 1 1 . 1 1 66 66 LEU N N 66 124.866 124.866 121.004 3.862 17717 307 1 1 . 1 1 66 66 LEU HA H 66 4.609 4.609 4.352 0.257 17717 308 1 1 . 1 1 66 66 LEU CA C 66 52.900 52.900 58.673 -5.773 17717 309 1 1 . 1 1 66 66 LEU CB C 66 43.200 43.200 41.152 2.048 17717 310 1 1 . 1 1 66 66 LEU H H 66 8.550 8.550 8.013 0.537 17717 311 1 1 . 1 1 67 67 THR N N 67 112.116 112.116 113.223 -1.107 17717 312 1 1 . 1 1 67 67 THR HA H 67 4.824 4.824 4.422 0.402 17717 313 1 1 . 1 1 67 67 THR CA C 67 59.240 59.240 66.113 -6.873 17717 314 1 1 . 1 1 67 67 THR CB C 67 71.550 71.550 68.775 2.775 17717 315 1 1 . 1 1 67 67 THR H H 67 7.650 7.650 7.892 -0.242 17717 316 1 1 . 1 1 68 68 ARG N N 68 120.085 120.085 120.046 0.039 17717 317 1 1 . 1 1 68 68 ARG HA H 68 4.230 4.230 3.984 0.246 17717 318 1 1 . 1 1 68 68 ARG CA C 68 58.600 58.600 59.381 -0.781 17717 319 1 1 . 1 1 68 68 ARG CB C 68 28.900 28.900 30.056 -1.156 17717 320 1 1 . 1 1 68 68 ARG H H 68 8.950 8.950 7.550 1.400 17717 321 1 1 . 1 1 69 69 ASP N N 69 116.366 116.366 120.011 -3.645 17717 322 1 1 . 1 1 69 69 ASP HA H 69 4.249 4.249 4.372 -0.123 17717 323 1 1 . 1 1 69 69 ASP CA C 69 56.100 56.100 58.532 -2.432 17717 324 1 1 . 1 1 69 69 ASP CB C 69 39.550 39.550 40.798 -1.248 17717 325 1 1 . 1 1 69 69 ASP H H 69 8.100 8.100 7.834 0.266 17717 326 1 1 . 1 1 70 70 PHE N N 70 119.553 119.553 118.809 0.744 17717 327 1 1 . 1 1 70 70 PHE HA H 70 4.090 4.090 3.930 0.160 17717 328 1 1 . 1 1 70 70 PHE CA C 70 60.700 60.700 59.234 1.466 17717 329 1 1 . 1 1 70 70 PHE CB C 70 38.100 38.100 37.698 0.402 17717 330 1 1 . 1 1 70 70 PHE H H 70 7.420 7.420 7.158 0.262 17717 331 1 1 . 1 1 71 71 TRP N N 71 120.085 120.085 122.448 -2.363 17717 332 1 1 . 1 1 71 71 TRP HA H 71 4.044 4.044 3.254 0.790 17717 333 1 1 . 1 1 71 71 TRP CA C 71 58.100 58.100 61.726 -3.626 17717 334 1 1 . 1 1 71 71 TRP CB C 71 28.100 28.100 28.748 -0.648 17717 335 1 1 . 1 1 71 71 TRP H H 71 6.950 6.950 7.136 -0.186 17717 336 1 1 . 1 1 72 72 ASP N N 72 121.450 121.450 117.581 3.869 17717 337 1 1 . 1 1 72 72 ASP HA H 72 4.310 4.310 3.390 0.920 17717 338 1 1 . 1 1 72 72 ASP CA C 72 55.350 55.350 56.810 -1.460 17717 339 1 1 . 1 1 72 72 ASP CB C 72 40.000 40.000 40.451 -0.451 17717 340 1 1 . 1 1 72 72 ASP H H 72 8.350 8.350 7.758 0.592 17717 341 1 1 . 1 1 73 73 ASN N N 73 117.200 117.200 118.372 -1.172 17717 342 1 1 . 1 1 73 73 ASN HA H 73 4.220 4.220 4.361 -0.141 17717 343 1 1 . 1 1 73 73 ASN CA C 73 54.500 54.500 56.428 -1.928 17717 344 1 1 . 1 1 73 73 ASN CB C 73 40.000 40.000 38.853 1.147 17717 345 1 1 . 1 1 73 73 ASN H H 73 7.700 7.700 7.640 0.060 17717 346 1 1 . 1 1 74 74 LEU N N 74 123.600 123.600 120.048 3.552 17717 347 1 1 . 1 1 74 74 LEU HA H 74 4.350 4.350 4.434 -0.084 17717 348 1 1 . 1 1 74 74 LEU CA C 74 54.700 54.700 57.718 -3.018 17717 349 1 1 . 1 1 74 74 LEU CB C 74 41.400 41.400 42.215 -0.815 17717 350 1 1 . 1 1 74 74 LEU H H 74 8.330 8.330 8.428 -0.098 17717 351 1 1 . 1 1 75 75 GLU N N 75 121.400 121.400 120.271 1.129 17717 352 1 1 . 1 1 75 75 GLU HA H 75 4.000 4.000 3.804 0.196 17717 353 1 1 . 1 1 75 75 GLU CA C 75 58.200 58.200 59.130 -0.930 17717 354 1 1 . 1 1 75 75 GLU CB C 75 28.400 28.400 28.813 -0.413 17717 355 1 1 . 1 1 75 75 GLU H H 75 8.600 8.600 8.275 0.325 17717 356 1 1 . 1 1 76 76 LYS N N 76 118.000 118.000 119.776 -1.776 17717 357 1 1 . 1 1 76 76 LYS HA H 76 4.117 4.117 4.094 0.023 17717 358 1 1 . 1 1 76 76 LYS CA C 76 58.400 58.400 58.723 -0.323 17717 359 1 1 . 1 1 76 76 LYS CB C 76 32.480 32.480 32.066 0.414 17717 360 1 1 . 1 1 76 76 LYS H H 76 7.690 7.690 7.387 0.303 17717 361 1 1 . 1 1 77 77 GLU N N 77 115.835 115.835 119.284 -3.449 17717 362 1 1 . 1 1 77 77 GLU HA H 77 4.310 4.310 3.912 0.398 17717 363 1 1 . 1 1 77 77 GLU CA C 77 54.785 54.785 60.202 -5.417 17717 364 1 1 . 1 1 77 77 GLU CB C 77 28.355 28.355 29.334 -0.979 17717 365 1 1 . 1 1 77 77 GLU H H 77 8.290 8.290 7.774 0.516 17717 366 1 1 . 1 1 78 78 THR N N 78 120.300 120.300 112.424 7.876 17717 367 1 1 . 1 1 78 78 THR HA H 78 4.410 4.410 3.854 0.556 17717 368 1 1 . 1 1 78 78 THR CA C 78 68.100 68.100 66.415 1.685 17717 369 1 1 . 1 1 78 78 THR CB C 78 69.451 69.451 68.634 0.817 17717 370 1 1 . 1 1 78 78 THR H H 78 7.490 7.490 8.240 -0.750 17717 371 1 1 . 1 1 79 79 ASP N N 79 120.085 120.085 121.897 -1.812 17717 372 1 1 . 1 1 79 79 ASP HA H 79 4.480 4.480 4.338 0.142 17717 373 1 1 . 1 1 79 79 ASP CA C 79 57.426 57.426 57.317 0.109 17717 374 1 1 . 1 1 79 79 ASP CB C 79 39.240 39.240 40.782 -1.542 17717 375 1 1 . 1 1 79 79 ASP H H 79 8.880 8.880 7.733 1.147 17717 376 1 1 . 1 1 80 80 TRP N N 80 123.803 123.803 121.856 1.947 17717 377 1 1 . 1 1 80 80 TRP HA H 80 4.280 4.280 4.338 -0.058 17717 378 1 1 . 1 1 80 80 TRP CA C 80 60.660 60.660 61.620 -0.960 17717 379 1 1 . 1 1 80 80 TRP CB C 80 27.000 27.000 30.405 -3.405 17717 380 1 1 . 1 1 80 80 TRP H H 80 7.760 7.760 7.952 -0.192 17717 381 1 1 . 1 1 81 81 VAL N N 81 118.790 118.790 117.439 1.351 17717 382 1 1 . 1 1 81 81 VAL HA H 81 4.280 4.280 3.817 0.463 17717 383 1 1 . 1 1 81 81 VAL CA C 81 61.200 61.200 66.274 -5.074 17717 384 1 1 . 1 1 81 81 VAL CB C 81 29.900 29.900 31.678 -1.778 17717 385 1 1 . 1 1 81 81 VAL H H 81 8.160 8.160 8.974 -0.814 17717 386 1 1 . 1 1 82 82 ARG N N 82 119.190 119.190 119.997 -0.807 17717 387 1 1 . 1 1 82 82 ARG HA H 82 4.480 4.480 3.923 0.557 17717 388 1 1 . 1 1 82 82 ARG CA C 82 58.400 58.400 59.416 -1.016 17717 389 1 1 . 1 1 82 82 ARG CB C 82 29.800 29.800 30.051 -0.251 17717 390 1 1 . 1 1 82 82 ARG H H 82 7.100 7.100 8.368 -1.268 17717 391 1 1 . 1 1 83 83 GLN N N 83 117.960 117.960 118.284 -0.324 17717 392 1 1 . 1 1 83 83 GLN HA H 83 4.222 4.222 3.942 0.280 17717 393 1 1 . 1 1 83 83 GLN CA C 83 55.600 55.600 58.443 -2.842 17717 394 1 1 . 1 1 83 83 GLN CB C 83 28.550 28.550 28.204 0.346 17717 395 1 1 . 1 1 83 83 GLN H H 83 8.050 8.050 7.694 0.356 17717 396 1 1 . 1 1 84 84 GLU N N 84 119.022 119.022 118.280 0.742 17717 397 1 1 . 1 1 84 84 GLU HA H 84 4.100 4.100 3.913 0.187 17717 398 1 1 . 1 1 84 84 GLU CA C 84 57.300 57.300 58.215 -0.915 17717 399 1 1 . 1 1 84 84 GLU CB C 84 28.600 28.600 29.067 -0.467 17717 400 1 1 . 1 1 84 84 GLU H H 84 7.920 7.920 8.322 -0.402 17717 401 1 1 . 1 1 85 85 MET N N 85 117.565 117.565 120.672 -3.107 17717 402 1 1 . 1 1 85 85 MET HA H 85 4.265 4.265 3.935 0.330 17717 403 1 1 . 1 1 85 85 MET CA C 85 55.020 55.020 59.107 -4.087 17717 404 1 1 . 1 1 85 85 MET CB C 85 33.000 33.000 32.111 0.889 17717 405 1 1 . 1 1 85 85 MET H H 85 8.230 8.230 7.833 0.397 17717 406 1 1 . 1 1 86 86 ASN N N 86 119.022 119.022 116.564 2.458 17717 407 1 1 . 1 1 86 86 ASN HA H 86 4.570 4.570 4.514 0.056 17717 408 1 1 . 1 1 86 86 ASN CA C 86 56.000 56.000 55.491 0.509 17717 409 1 1 . 1 1 86 86 ASN CB C 86 37.700 37.700 38.421 -0.721 17717 410 1 1 . 1 1 86 86 ASN H H 86 8.600 8.600 7.702 0.898 17717 411 1 1 . 1 1 87 87 LYS N N 87 120.273 120.273 120.559 -0.286 17717 412 1 1 . 1 1 87 87 LYS HA H 87 4.100 4.100 3.894 0.206 17717 413 1 1 . 1 1 87 87 LYS CA C 87 59.000 59.000 59.946 -0.946 17717 414 1 1 . 1 1 87 87 LYS CB C 87 30.900 30.900 32.152 -1.252 17717 415 1 1 . 1 1 87 87 LYS H H 87 7.220 7.220 7.529 -0.309 17717 416 1 1 . 1 1 88 88 ASP N N 88 121.147 121.147 119.246 1.901 17717 417 1 1 . 1 1 88 88 ASP HA H 88 4.480 4.480 4.391 0.089 17717 418 1 1 . 1 1 88 88 ASP CA C 88 56.840 56.840 57.442 -0.602 17717 419 1 1 . 1 1 88 88 ASP CB C 88 39.450 39.450 40.583 -1.133 17717 420 1 1 . 1 1 88 88 ASP H H 88 7.390 7.390 8.105 -0.715 17717 421 1 1 . 1 1 89 89 LEU N N 89 122.741 122.741 120.156 2.585 17717 422 1 1 . 1 1 89 89 LEU HA H 89 4.470 4.470 3.936 0.534 17717 423 1 1 . 1 1 89 89 LEU CA C 89 57.000 57.000 58.667 -1.667 17717 424 1 1 . 1 1 89 89 LEU CB C 89 41.000 41.000 42.241 -1.241 17717 425 1 1 . 1 1 89 89 LEU H H 89 8.910 8.910 7.445 1.465 17717 426 1 1 . 1 1 90 90 GLU N N 90 119.553 119.553 117.545 2.008 17717 427 1 1 . 1 1 90 90 GLU HA H 90 4.050 4.050 4.145 -0.095 17717 428 1 1 . 1 1 90 90 GLU CA C 90 59.100 59.100 58.549 0.551 17717 429 1 1 . 1 1 90 90 GLU CB C 90 28.556 28.556 29.735 -1.179 17717 430 1 1 . 1 1 90 90 GLU H H 90 8.260 8.260 7.759 0.501 17717 431 1 1 . 1 1 91 91 GLU N N 91 119.190 119.190 120.182 -0.992 17717 432 1 1 . 1 1 91 91 GLU HA H 91 4.136 4.136 4.147 -0.011 17717 433 1 1 . 1 1 91 91 GLU CA C 91 58.600 58.600 59.287 -0.687 17717 434 1 1 . 1 1 91 91 GLU CB C 91 28.600 28.600 29.995 -1.395 17717 435 1 1 . 1 1 91 91 GLU H H 91 7.470 7.470 8.137 -0.667 17717 436 1 1 . 1 1 92 92 VAL N N 92 122.230 122.230 115.655 6.575 17717 437 1 1 . 1 1 92 92 VAL HA H 92 3.837 3.837 3.956 -0.119 17717 438 1 1 . 1 1 92 92 VAL CA C 92 65.900 65.900 66.270 -0.370 17717 439 1 1 . 1 1 92 92 VAL CB C 92 29.200 29.200 32.053 -2.853 17717 440 1 1 . 1 1 92 92 VAL H H 92 8.420 8.420 8.288 0.132 17717 441 1 1 . 1 1 93 93 LYS N N 93 121.300 121.300 118.254 3.046 17717 442 1 1 . 1 1 93 93 LYS HA H 93 3.836 3.836 4.286 -0.450 17717 443 1 1 . 1 1 93 93 LYS CA C 93 59.900 59.900 58.614 1.286 17717 444 1 1 . 1 1 93 93 LYS CB C 93 31.277 31.277 32.000 -0.723 17717 445 1 1 . 1 1 93 93 LYS H H 93 9.000 9.000 7.683 1.317 17717 446 1 1 . 1 1 94 94 GLN N N 94 116.900 116.900 117.308 -0.408 17717 447 1 1 . 1 1 94 94 GLN HA H 94 4.094 4.094 4.318 -0.224 17717 448 1 1 . 1 1 94 94 GLN CA C 94 57.731 57.731 57.974 -0.243 17717 449 1 1 . 1 1 94 94 GLN CB C 94 27.700 27.700 28.418 -0.718 17717 450 1 1 . 1 1 94 94 GLN H H 94 7.320 7.320 7.754 -0.434 17717 451 1 1 . 1 1 95 95 LYS N N 95 119.190 119.190 119.713 -0.523 17717 452 1 1 . 1 1 95 95 LYS HA H 95 4.137 4.137 4.230 -0.093 17717 453 1 1 . 1 1 95 95 LYS CA C 95 57.700 57.700 58.237 -0.537 17717 454 1 1 . 1 1 95 95 LYS CB C 95 31.800 31.800 33.153 -1.353 17717 455 1 1 . 1 1 95 95 LYS H H 95 7.590 7.590 7.681 -0.091 17717 456 1 1 . 1 1 96 96 VAL N N 96 111.000 111.000 116.404 -5.404 17717 457 1 1 . 1 1 96 96 VAL HA H 96 4.138 4.138 3.740 0.398 17717 458 1 1 . 1 1 96 96 VAL CA C 96 61.600 61.600 66.062 -4.462 17717 459 1 1 . 1 1 96 96 VAL CB C 96 31.500 31.500 31.598 -0.098 17717 460 1 1 . 1 1 96 96 VAL H H 96 7.960 7.960 7.629 0.331 17717 461 1 1 . 1 1 97 97 GLN N N 97 122.210 122.210 119.160 3.050 17717 462 1 1 . 1 1 97 97 GLN HA H 97 4.030 4.030 3.989 0.041 17717 463 1 1 . 1 1 97 97 GLN CA C 97 59.226 59.226 59.738 -0.512 17717 464 1 1 . 1 1 97 97 GLN CB C 97 24.578 24.578 26.959 -2.381 17717 465 1 1 . 1 1 97 97 GLN H H 97 7.380 7.380 8.282 -0.902 17717 466 1 1 . 1 1 98 98 PRO CA C 98 65.400 65.400 63.166 2.233 17717 467 1 1 . 1 1 98 98 PRO CB C 98 30.336 30.336 31.762 -1.426 17717 468 1 1 . 1 1 99 99 TYR N N 99 116.900 116.900 113.682 3.218 17717 469 1 1 . 1 1 99 99 TYR HA H 99 4.480 4.480 4.176 0.304 17717 470 1 1 . 1 1 99 99 TYR CA C 99 58.446 58.446 57.768 0.678 17717 471 1 1 . 1 1 99 99 TYR CB C 99 36.344 36.344 34.718 1.626 17717 472 1 1 . 1 1 99 99 TYR H H 99 7.100 7.100 7.275 -0.175 17717 473 1 1 . 1 1 100 100 LEU N N 100 123.270 123.270 121.446 1.824 17717 474 1 1 . 1 1 100 100 LEU HA H 100 3.964 3.964 4.443 -0.479 17717 475 1 1 . 1 1 100 100 LEU CA C 100 57.300 57.300 53.743 3.557 17717 476 1 1 . 1 1 100 100 LEU CB C 100 40.950 40.950 43.184 -2.234 17717 477 1 1 . 1 1 100 100 LEU H H 100 7.500 7.500 7.671 -0.171 17717 478 1 1 . 1 1 101 101 ASP N N 101 119.500 119.500 119.927 -0.427 17717 479 1 1 . 1 1 101 101 ASP HA H 101 3.810 3.810 4.789 -0.979 17717 480 1 1 . 1 1 101 101 ASP CA C 101 58.200 58.200 54.208 3.992 17717 481 1 1 . 1 1 101 101 ASP CB C 101 39.100 39.100 40.435 -1.335 17717 482 1 1 . 1 1 101 101 ASP H H 101 8.450 8.450 8.425 0.025 17717 483 1 1 . 1 1 102 102 GLU N N 102 121.221 121.221 120.589 0.632 17717 484 1 1 . 1 1 102 102 GLU HA H 102 4.222 4.222 3.944 0.278 17717 485 1 1 . 1 1 102 102 GLU CA C 102 59.200 59.200 59.721 -0.521 17717 486 1 1 . 1 1 102 102 GLU CB C 102 31.100 31.100 29.296 1.804 17717 487 1 1 . 1 1 102 102 GLU H H 102 8.190 8.190 8.422 -0.232 17717 488 1 1 . 1 1 103 103 PHE N N 103 124.065 124.065 116.456 7.609 17717 489 1 1 . 1 1 103 103 PHE HA H 103 4.520 4.520 4.176 0.344 17717 490 1 1 . 1 1 103 103 PHE CA C 103 57.183 57.183 60.599 -3.417 17717 491 1 1 . 1 1 103 103 PHE CB C 103 38.608 38.608 37.955 0.653 17717 492 1 1 . 1 1 103 103 PHE H H 103 8.170 8.170 7.609 0.561 17717 493 1 1 . 1 1 104 104 GLN N N 104 123.272 123.272 118.869 4.403 17717 494 1 1 . 1 1 104 104 GLN HA H 104 4.222 4.222 4.126 0.096 17717 495 1 1 . 1 1 104 104 GLN CA C 104 55.460 55.460 58.366 -2.906 17717 496 1 1 . 1 1 104 104 GLN CB C 104 29.200 29.200 28.940 0.260 17717 497 1 1 . 1 1 104 104 GLN H H 104 8.030 8.030 8.448 -0.418 17717 498 1 1 . 1 1 105 105 LYS N N 105 119.600 119.600 120.793 -1.193 17717 499 1 1 . 1 1 105 105 LYS HA H 105 4.136 4.136 4.102 0.034 17717 500 1 1 . 1 1 105 105 LYS CA C 105 57.830 57.830 58.806 -0.976 17717 501 1 1 . 1 1 105 105 LYS CB C 105 32.220 32.220 32.239 -0.019 17717 502 1 1 . 1 1 105 105 LYS H H 105 7.800 7.800 8.364 -0.564 17717 503 1 1 . 1 1 106 106 LYS N N 106 117.960 117.960 120.689 -2.729 17717 504 1 1 . 1 1 106 106 LYS HA H 106 4.093 4.093 4.094 -0.001 17717 505 1 1 . 1 1 106 106 LYS CA C 106 57.860 57.860 59.429 -1.569 17717 506 1 1 . 1 1 106 106 LYS CB C 106 32.080 32.080 31.880 0.200 17717 507 1 1 . 1 1 106 106 LYS H H 106 7.740 7.740 7.910 -0.170 17717 508 1 1 . 1 1 107 107 TRP N N 107 119.320 119.320 119.732 -0.412 17717 509 1 1 . 1 1 107 107 TRP HA H 107 4.310 4.310 4.342 -0.032 17717 510 1 1 . 1 1 107 107 TRP CA C 107 54.900 54.900 59.966 -5.066 17717 511 1 1 . 1 1 107 107 TRP CB C 107 28.400 28.400 29.499 -1.099 17717 512 1 1 . 1 1 107 107 TRP H H 107 8.390 8.390 7.680 0.710 17717 513 1 1 . 1 1 108 108 LYS N N 108 120.390 120.390 119.601 0.789 17717 514 1 1 . 1 1 108 108 LYS HA H 108 4.350 4.350 3.796 0.554 17717 515 1 1 . 1 1 108 108 LYS CA C 108 58.170 58.170 58.528 -0.358 17717 516 1 1 . 1 1 108 108 LYS CB C 108 30.250 30.250 32.040 -1.790 17717 517 1 1 . 1 1 108 108 LYS H H 108 7.420 7.420 7.897 -0.477 17717 518 1 1 . 1 1 109 109 GLU N N 109 120.220 120.220 119.889 0.331 17717 519 1 1 . 1 1 109 109 GLU HA H 109 3.922 3.922 4.066 -0.144 17717 520 1 1 . 1 1 109 109 GLU CA C 109 58.230 58.230 59.053 -0.823 17717 521 1 1 . 1 1 109 109 GLU CB C 109 29.230 29.230 29.549 -0.319 17717 522 1 1 . 1 1 109 109 GLU H H 109 7.800 7.800 7.588 0.212 17717 523 1 1 . 1 1 110 110 ASP N N 110 121.678 121.678 120.063 1.615 17717 524 1 1 . 1 1 110 110 ASP HA H 110 4.096 4.096 4.190 -0.094 17717 525 1 1 . 1 1 110 110 ASP CA C 110 57.514 57.514 57.326 0.188 17717 526 1 1 . 1 1 110 110 ASP CB C 110 40.005 40.005 40.559 -0.554 17717 527 1 1 . 1 1 110 110 ASP H H 110 8.220 8.220 8.388 -0.168 17717 528 1 1 . 1 1 111 111 VAL N N 111 123.537 123.537 117.261 6.276 17717 529 1 1 . 1 1 111 111 VAL CA C 111 66.380 66.380 65.522 0.858 17717 530 1 1 . 1 1 111 111 VAL CB C 111 30.800 30.800 30.901 -0.101 17717 531 1 1 . 1 1 111 111 VAL H H 111 9.170 9.170 7.303 1.867 17717 532 1 1 . 1 1 112 112 GLU N N 112 120.200 120.200 120.621 -0.421 17717 533 1 1 . 1 1 112 112 GLU HA H 112 4.179 4.179 3.958 0.222 17717 534 1 1 . 1 1 112 112 GLU CA C 112 58.431 58.431 59.393 -0.962 17717 535 1 1 . 1 1 112 112 GLU CB C 112 27.878 27.878 29.291 -1.413 17717 536 1 1 . 1 1 112 112 GLU H H 112 7.540 7.540 7.433 0.107 17717 537 1 1 . 1 1 113 113 LEU N N 113 120.815 120.815 118.618 2.197 17717 538 1 1 . 1 1 113 113 LEU HA H 113 4.439 4.439 3.732 0.707 17717 539 1 1 . 1 1 113 113 LEU CA C 113 53.800 53.800 57.733 -3.933 17717 540 1 1 . 1 1 113 113 LEU CB C 113 41.060 41.060 40.747 0.313 17717 541 1 1 . 1 1 113 113 LEU H H 113 7.900 7.900 7.483 0.417 17717 542 1 1 . 1 1 114 114 TYR N N 114 120.920 120.920 119.866 1.054 17717 543 1 1 . 1 1 114 114 TYR HA H 114 4.520 4.520 4.095 0.425 17717 544 1 1 . 1 1 114 114 TYR CA C 114 56.942 56.942 61.449 -4.507 17717 545 1 1 . 1 1 114 114 TYR CB C 114 37.834 37.834 38.171 -0.337 17717 546 1 1 . 1 1 114 114 TYR H H 114 8.370 8.370 7.904 0.466 17717 547 1 1 . 1 1 115 115 ARG N N 115 118.260 118.260 117.838 0.422 17717 548 1 1 . 1 1 115 115 ARG HA H 115 4.820 4.820 3.947 0.873 17717 549 1 1 . 1 1 115 115 ARG CA C 115 55.700 55.700 59.253 -3.553 17717 550 1 1 . 1 1 115 115 ARG CB C 115 30.600 30.600 29.444 1.156 17717 551 1 1 . 1 1 115 115 ARG H H 115 7.630 7.630 7.916 -0.286 17717 552 1 1 . 1 1 116 116 GLN N N 116 116.670 116.670 117.468 -0.798 17717 553 1 1 . 1 1 116 116 GLN HA H 116 4.480 4.480 4.061 0.419 17717 554 1 1 . 1 1 116 116 GLN CA C 116 57.100 57.100 58.684 -1.583 17717 555 1 1 . 1 1 116 116 GLN CB C 116 28.060 28.060 28.843 -0.783 17717 556 1 1 . 1 1 116 116 GLN H H 116 7.980 7.980 7.352 0.628 17717 557 1 1 . 1 1 117 117 LYS N N 117 119.200 119.200 120.025 -0.825 17717 558 1 1 . 1 1 117 117 LYS HA H 117 4.211 4.211 3.884 0.327 17717 559 1 1 . 1 1 117 117 LYS CA C 117 56.700 56.700 58.501 -1.801 17717 560 1 1 . 1 1 117 117 LYS CB C 117 32.100 32.100 31.675 0.425 17717 561 1 1 . 1 1 117 117 LYS H H 117 7.780 7.780 7.455 0.325 17717 562 1 1 . 1 1 118 118 ALA N N 118 122.740 122.740 120.311 2.429 17717 563 1 1 . 1 1 118 118 ALA HA H 118 4.179 4.179 4.038 0.141 17717 564 1 1 . 1 1 118 118 ALA CA C 118 52.100 52.100 53.612 -1.512 17717 565 1 1 . 1 1 118 118 ALA CB C 118 18.100 18.100 19.154 -1.054 17717 566 1 1 . 1 1 118 118 ALA H H 118 8.100 8.100 8.104 -0.004 17717 567 1 1 . 1 1 119 119 SER N N 119 115.840 115.840 115.016 0.824 17717 568 1 1 . 1 1 119 119 SER HA H 119 4.210 4.210 4.883 -0.673 17717 569 1 1 . 1 1 119 119 SER CA C 119 55.900 55.900 54.230 1.670 17717 570 1 1 . 1 1 119 119 SER CB C 119 62.900 62.900 63.705 -0.805 17717 571 1 1 . 1 1 119 119 SER H H 119 7.800 7.800 7.566 0.234 17717 572 1 1 . 1 1 120 120 PRO CA C 120 63.074 63.074 62.981 0.093 17717 573 1 1 . 1 1 120 120 PRO CB C 120 31.408 31.408 31.637 -0.228 17717 574 1 1 . 1 1 121 121 GLN N N 121 120.800 120.800 126.465 -5.665 17717 575 1 1 . 1 1 121 121 GLN HA H 121 4.350 4.350 4.029 0.321 17717 576 1 1 . 1 1 121 121 GLN CA C 121 55.800 55.800 58.831 -3.031 17717 577 1 1 . 1 1 121 121 GLN CB C 121 28.300 28.300 27.680 0.620 17717 578 1 1 . 1 1 121 121 GLN H H 121 8.450 8.450 8.382 0.068 17717 579 1 1 . 1 1 122 122 GLY N N 122 109.991 109.991 107.490 2.501 17717 580 1 1 . 1 1 122 122 GLY CA C 122 44.500 44.500 46.522 -2.022 17717 581 1 1 . 1 1 122 122 GLY H H 122 8.380 8.380 8.777 -0.397 17717 582 1 1 . 1 1 123 123 ALA N N 123 124.866 124.866 125.781 -0.915 17717 583 1 1 . 1 1 123 123 ALA HA H 123 4.280 4.280 4.295 -0.015 17717 584 1 1 . 1 1 123 123 ALA CA C 123 52.440 52.440 54.889 -2.449 17717 585 1 1 . 1 1 123 123 ALA CB C 123 18.530 18.530 18.637 -0.107 17717 586 1 1 . 1 1 123 123 ALA H H 123 8.200 8.200 8.180 0.020 17717 587 1 1 . 1 1 124 124 GLU N N 124 120.000 120.000 117.671 2.329 17717 588 1 1 . 1 1 124 124 GLU HA H 124 4.265 4.265 4.125 0.140 17717 589 1 1 . 1 1 124 124 GLU CA C 124 56.533 56.533 58.254 -1.721 17717 590 1 1 . 1 1 124 124 GLU CB C 124 29.150 29.150 29.509 -0.359 17717 591 1 1 . 1 1 124 124 GLU H H 124 8.510 8.510 7.764 0.746 17717 592 1 1 . 1 1 125 125 LEU N N 125 122.740 122.740 123.128 -0.388 17717 593 1 1 . 1 1 125 125 LEU HA H 125 4.222 4.222 4.000 0.222 17717 594 1 1 . 1 1 125 125 LEU CA C 125 55.600 55.600 58.258 -2.658 17717 595 1 1 . 1 1 125 125 LEU CB C 125 41.500 41.500 41.762 -0.262 17717 596 1 1 . 1 1 125 125 LEU H H 125 8.110 8.110 8.446 -0.336 17717 597 1 1 . 1 1 126 126 GLN N N 126 120.616 120.616 116.531 4.085 17717 598 1 1 . 1 1 126 126 GLN HA H 126 4.140 4.140 4.028 0.112 17717 599 1 1 . 1 1 126 126 GLN CA C 126 56.600 56.600 58.563 -1.963 17717 600 1 1 . 1 1 126 126 GLN CB C 126 28.200 28.200 28.197 0.003 17717 601 1 1 . 1 1 126 126 GLN H H 126 8.190 8.190 8.184 0.006 17717 602 1 1 . 1 1 127 127 GLU N N 127 121.221 121.221 121.281 -0.060 17717 603 1 1 . 1 1 127 127 GLU HA H 127 4.480 4.480 3.995 0.485 17717 604 1 1 . 1 1 127 127 GLU CA C 127 57.800 57.800 59.485 -1.685 17717 605 1 1 . 1 1 127 127 GLU CB C 127 28.000 28.000 29.582 -1.582 17717 606 1 1 . 1 1 127 127 GLU H H 127 8.130 8.130 7.769 0.361 17717 607 1 1 . 1 1 128 128 SER N N 128 117.960 117.960 115.174 2.786 17717 608 1 1 . 1 1 128 128 SER HA H 128 4.140 4.140 4.588 -0.448 17717 609 1 1 . 1 1 128 128 SER CA C 128 57.800 57.800 60.566 -2.766 17717 610 1 1 . 1 1 128 128 SER CB C 128 63.860 63.860 63.422 0.438 17717 611 1 1 . 1 1 128 128 SER H H 128 8.580 8.580 8.419 0.161 17717 612 1 1 . 1 1 129 129 ALA N N 129 132.300 132.300 123.493 8.807 17717 613 1 1 . 1 1 129 129 ALA CA C 129 53.505 53.505 54.336 -0.831 17717 614 1 1 . 1 1 129 129 ALA CB C 129 18.600 18.600 18.888 -0.288 17717 615 1 1 . 1 1 129 129 ALA H H 129 7.980 7.980 7.843 0.137 17717 616 1 1 . 1 1 130 130 ARG N N 130 119.553 119.553 117.072 2.481 17717 617 1 1 . 1 1 130 130 ARG HA H 130 4.274 4.274 4.522 -0.248 17717 618 1 1 . 1 1 130 130 ARG CA C 130 55.300 55.300 55.502 -0.202 17717 619 1 1 . 1 1 130 130 ARG CB C 130 31.600 31.600 31.628 -0.028 17717 620 1 1 . 1 1 130 130 ARG H H 130 8.150 8.150 7.679 0.471 17717 621 1 1 . 1 1 131 131 GLN N N 131 117.960 117.960 118.691 -0.731 17717 622 1 1 . 1 1 131 131 GLN HA H 131 4.350 4.350 3.903 0.447 17717 623 1 1 . 1 1 131 131 GLN CA C 131 56.066 56.066 57.467 -1.401 17717 624 1 1 . 1 1 131 131 GLN CB C 131 29.000 29.000 28.387 0.613 17717 625 1 1 . 1 1 131 131 GLN H H 131 7.880 7.880 7.829 0.051 17717 626 1 1 . 1 1 132 132 LYS N N 132 121.357 121.357 116.567 4.790 17717 627 1 1 . 1 1 132 132 LYS HA H 132 4.136 4.136 3.973 0.163 17717 628 1 1 . 1 1 132 132 LYS CA C 132 56.800 56.800 57.261 -0.461 17717 629 1 1 . 1 1 132 132 LYS CB C 132 31.100 31.100 32.004 -0.904 17717 630 1 1 . 1 1 132 132 LYS H H 132 7.892 7.892 8.720 -0.828 17717 631 1 1 . 1 1 133 133 LEU N N 133 120.620 120.620 117.575 3.045 17717 632 1 1 . 1 1 133 133 LEU HA H 133 4.480 4.480 4.432 0.048 17717 633 1 1 . 1 1 133 133 LEU CA C 133 53.900 53.900 54.161 -0.261 17717 634 1 1 . 1 1 133 133 LEU CB C 133 41.230 41.230 45.374 -4.144 17717 635 1 1 . 1 1 133 133 LEU H H 133 8.320 8.320 7.663 0.657 17717 636 1 1 . 1 1 134 134 GLN N N 134 121.147 121.147 120.151 0.996 17717 637 1 1 . 1 1 134 134 GLN HA H 134 4.222 4.222 4.628 -0.406 17717 638 1 1 . 1 1 134 134 GLN CA C 134 56.146 56.146 54.664 1.482 17717 639 1 1 . 1 1 134 134 GLN CB C 134 31.813 31.813 30.138 1.675 17717 640 1 1 . 1 1 134 134 GLN H H 134 7.870 7.870 8.201 -0.331 17717 641 1 1 . 1 1 135 135 GLU N N 135 121.678 121.678 120.334 1.344 17717 642 1 1 . 1 1 135 135 GLU HA H 135 4.136 4.136 4.198 -0.062 17717 643 1 1 . 1 1 135 135 GLU CA C 135 55.904 55.904 57.273 -1.369 17717 644 1 1 . 1 1 135 135 GLU CB C 135 28.953 28.953 28.699 0.254 17717 645 1 1 . 1 1 135 135 GLU H H 135 7.892 7.892 8.587 -0.695 17717 646 1 1 . 1 1 136 136 LEU N N 136 121.357 121.357 124.568 -3.211 17717 647 1 1 . 1 1 136 136 LEU HA H 136 4.351 4.351 4.437 -0.086 17717 648 1 1 . 1 1 136 136 LEU CA C 136 54.765 54.765 54.807 -0.042 17717 649 1 1 . 1 1 136 136 LEU CB C 136 41.823 41.823 44.616 -2.793 17717 650 1 1 . 1 1 136 136 LEU H H 136 7.962 7.962 7.977 -0.015 17717 651 1 1 . 1 1 137 137 GLN N N 137 124.866 124.866 119.906 4.960 17717 652 1 1 . 1 1 137 137 GLN HA H 137 4.222 4.222 4.584 -0.362 17717 653 1 1 . 1 1 137 137 GLN CA C 137 56.300 56.300 54.903 1.397 17717 654 1 1 . 1 1 137 137 GLN CB C 137 28.000 28.000 29.686 -1.686 17717 655 1 1 . 1 1 137 137 GLN H H 137 7.938 7.938 8.468 -0.530 17717 656 1 1 . 1 1 138 138 GLY N N 138 111.054 111.054 111.918 -0.864 17717 657 1 1 . 1 1 138 138 GLY CA C 138 44.800 44.800 46.037 -1.237 17717 658 1 1 . 1 1 138 138 GLY H H 138 8.410 8.410 8.689 -0.279 17717 659 1 1 . 1 1 139 139 ARG N N 139 116.366 116.366 120.121 -3.755 17717 660 1 1 . 1 1 139 139 ARG HA H 139 4.230 4.230 4.630 -0.400 17717 661 1 1 . 1 1 139 139 ARG CA C 139 56.300 56.300 55.511 0.789 17717 662 1 1 . 1 1 139 139 ARG CB C 139 28.700 28.700 30.530 -1.830 17717 663 1 1 . 1 1 139 139 ARG H H 139 8.080 8.080 8.101 -0.021 17717 664 1 1 . 1 1 140 140 LEU N N 140 126.460 126.460 117.500 8.960 17717 665 1 1 . 1 1 140 140 LEU HA H 140 4.220 4.220 3.890 0.330 17717 666 1 1 . 1 1 140 140 LEU CA C 140 56.500 56.500 56.381 0.119 17717 667 1 1 . 1 1 140 140 LEU CB C 140 41.496 41.496 41.004 0.492 17717 668 1 1 . 1 1 140 140 LEU H H 140 7.740 7.740 8.183 -0.443 17717 669 1 1 . 1 1 141 141 SER N N 141 119.190 119.190 115.333 3.857 17717 670 1 1 . 1 1 141 141 SER HA H 141 4.390 4.390 4.443 -0.053 17717 671 1 1 . 1 1 141 141 SER CA C 141 56.384 56.384 58.820 -2.436 17717 672 1 1 . 1 1 141 141 SER CB C 141 62.996 62.996 63.722 -0.726 17717 673 1 1 . 1 1 141 141 SER H H 141 8.430 8.430 7.952 0.478 17717 674 1 1 . 1 1 142 142 PRO CA C 142 64.840 64.840 64.440 0.400 17717 675 1 1 . 1 1 142 142 PRO CB C 142 31.345 31.345 31.631 -0.286 17717 676 1 1 . 1 1 143 143 VAL N N 143 116.900 116.900 116.822 0.078 17717 677 1 1 . 1 1 143 143 VAL HA H 143 4.100 4.100 3.880 0.220 17717 678 1 1 . 1 1 143 143 VAL CA C 143 63.800 63.800 63.536 0.264 17717 679 1 1 . 1 1 143 143 VAL CB C 143 31.400 31.400 30.350 1.050 17717 680 1 1 . 1 1 143 143 VAL H H 143 7.780 7.780 7.541 0.239 17717 681 1 1 . 1 1 144 144 ALA N N 144 125.700 125.700 122.178 3.522 17717 682 1 1 . 1 1 144 144 ALA HA H 144 4.390 4.390 4.016 0.374 17717 683 1 1 . 1 1 144 144 ALA CA C 144 54.200 54.200 55.178 -0.978 17717 684 1 1 . 1 1 144 144 ALA CB C 144 18.361 18.361 18.315 0.046 17717 685 1 1 . 1 1 144 144 ALA H H 144 7.970 7.970 7.631 0.339 17717 686 1 1 . 1 1 145 145 GLU N N 145 120.000 120.000 118.583 1.417 17717 687 1 1 . 1 1 145 145 GLU HA H 145 3.920 3.920 3.998 -0.078 17717 688 1 1 . 1 1 145 145 GLU CA C 145 59.400 59.400 59.599 -0.199 17717 689 1 1 . 1 1 145 145 GLU CB C 145 28.400 28.400 28.784 -0.384 17717 690 1 1 . 1 1 145 145 GLU H H 145 8.600 8.600 7.742 0.858 17717 691 1 1 . 1 1 146 146 GLU N N 146 119.022 119.022 119.511 -0.489 17717 692 1 1 . 1 1 146 146 GLU HA H 146 4.050 4.050 4.125 -0.075 17717 693 1 1 . 1 1 146 146 GLU CA C 146 58.422 58.422 58.684 -0.262 17717 694 1 1 . 1 1 146 146 GLU CB C 146 28.172 28.172 28.799 -0.627 17717 695 1 1 . 1 1 146 146 GLU H H 146 8.070 8.070 7.931 0.139 17717 696 1 1 . 1 1 147 147 PHE N N 147 117.023 117.023 120.989 -3.966 17717 697 1 1 . 1 1 147 147 PHE HA H 147 4.523 4.523 4.180 0.343 17717 698 1 1 . 1 1 147 147 PHE CA C 147 58.592 58.592 60.964 -2.372 17717 699 1 1 . 1 1 147 147 PHE CB C 147 40.344 40.344 39.156 1.188 17717 700 1 1 . 1 1 147 147 PHE H H 147 8.161 8.161 8.369 -0.208 17717 701 1 1 . 1 1 148 148 ARG N N 148 120.085 120.085 119.880 0.205 17717 702 1 1 . 1 1 148 148 ARG HA H 148 4.136 4.136 3.773 0.363 17717 703 1 1 . 1 1 148 148 ARG CA C 148 57.700 57.700 60.185 -2.485 17717 704 1 1 . 1 1 148 148 ARG CB C 148 30.400 30.400 29.847 0.553 17717 705 1 1 . 1 1 148 148 ARG H H 148 8.325 8.325 8.607 -0.282 17717 706 1 1 . 1 1 149 149 ASP N N 149 118.530 118.530 118.203 0.327 17717 707 1 1 . 1 1 149 149 ASP HA H 149 4.310 4.310 4.371 -0.061 17717 708 1 1 . 1 1 149 149 ASP CA C 149 54.600 54.600 57.378 -2.778 17717 709 1 1 . 1 1 149 149 ASP CB C 149 41.000 41.000 40.673 0.327 17717 710 1 1 . 1 1 149 149 ASP H H 149 8.270 8.270 8.404 -0.134 17717 711 1 1 . 1 1 150 150 ARG N N 150 126.460 126.460 118.637 7.823 17717 712 1 1 . 1 1 150 150 ARG HA H 150 4.180 4.180 4.087 0.093 17717 713 1 1 . 1 1 150 150 ARG CA C 150 56.850 56.850 58.553 -1.703 17717 714 1 1 . 1 1 150 150 ARG CB C 150 30.451 30.451 30.184 0.267 17717 715 1 1 . 1 1 150 150 ARG H H 150 7.860 7.860 7.840 0.020 17717 716 1 1 . 1 1 152 152 ARG CA C 152 55.764 55.764 59.955 -4.191 17717 717 1 1 . 1 1 152 152 ARG CB C 152 30.014 30.014 30.335 -0.321 17717 718 1 1 . 1 1 153 153 THR N N 153 115.832 115.832 114.293 1.539 17717 719 1 1 . 1 1 153 153 THR HA H 153 4.350 4.350 4.021 0.329 17717 720 1 1 . 1 1 153 153 THR CA C 153 61.200 61.200 66.873 -5.673 17717 721 1 1 . 1 1 153 153 THR CB C 153 69.400 69.400 68.328 1.072 17717 722 1 1 . 1 1 153 153 THR H H 153 8.170 8.170 7.864 0.306 17717 723 1 1 . 1 1 154 154 HIS N N 154 129.120 129.120 122.503 6.617 17717 724 1 1 . 1 1 154 154 HIS HA H 154 4.650 4.650 4.226 0.424 17717 725 1 1 . 1 1 154 154 HIS CA C 154 56.800 56.800 58.746 -1.946 17717 726 1 1 . 1 1 154 154 HIS CB C 154 30.400 30.400 29.364 1.036 17717 727 1 1 . 1 1 154 154 HIS H H 154 7.950 7.950 7.984 -0.034 17717 728 1 1 . 1 1 155 155 VAL N N 155 120.620 120.620 117.931 2.689 17717 729 1 1 . 1 1 155 155 VAL HA H 155 4.012 4.012 3.381 0.631 17717 730 1 1 . 1 1 155 155 VAL CA C 155 62.300 62.300 65.917 -3.617 17717 731 1 1 . 1 1 155 155 VAL CB C 155 31.600 31.600 30.508 1.092 17717 732 1 1 . 1 1 155 155 VAL H H 155 7.910 7.910 7.267 0.643 17717 733 1 1 . 1 1 156 156 ASP N N 156 121.147 121.147 121.010 0.137 17717 734 1 1 . 1 1 156 156 ASP HA H 156 4.440 4.440 4.284 0.156 17717 735 1 1 . 1 1 156 156 ASP CA C 156 57.384 57.384 57.732 -0.348 17717 736 1 1 . 1 1 156 156 ASP CB C 156 40.140 40.140 40.914 -0.774 17717 737 1 1 . 1 1 156 156 ASP H H 156 8.100 8.100 8.610 -0.509 17717 738 1 1 . 1 1 157 157 SER N N 157 116.366 116.366 116.139 0.227 17717 739 1 1 . 1 1 157 157 SER HA H 157 4.220 4.220 4.170 0.050 17717 740 1 1 . 1 1 157 157 SER CA C 157 61.500 61.500 62.129 -0.629 17717 741 1 1 . 1 1 157 157 SER CB C 157 62.500 62.500 63.199 -0.699 17717 742 1 1 . 1 1 157 157 SER H H 157 8.700 8.700 7.881 0.819 17717 743 1 1 . 1 1 158 158 LEU N N 158 123.272 123.272 123.441 -0.169 17717 744 1 1 . 1 1 158 158 LEU HA H 158 4.520 4.520 4.303 0.217 17717 745 1 1 . 1 1 158 158 LEU CA C 158 57.140 57.140 58.167 -1.027 17717 746 1 1 . 1 1 158 158 LEU CB C 158 40.900 40.900 41.890 -0.990 17717 747 1 1 . 1 1 158 158 LEU H H 158 7.790 7.790 7.902 -0.112 17717 748 1 1 . 1 1 159 159 ARG N N 159 119.553 119.553 116.592 2.961 17717 749 1 1 . 1 1 159 159 ARG HA H 159 4.530 4.530 4.107 0.423 17717 750 1 1 . 1 1 159 159 ARG CA C 159 56.800 56.800 59.153 -2.353 17717 751 1 1 . 1 1 159 159 ARG CB C 159 29.000 29.000 30.126 -1.126 17717 752 1 1 . 1 1 159 159 ARG H H 159 8.650 8.650 8.135 0.515 17717 753 1 1 . 1 1 160 160 THR N N 160 115.304 115.304 116.817 -1.513 17717 754 1 1 . 1 1 160 160 THR HA H 160 3.880 3.880 4.058 -0.178 17717 755 1 1 . 1 1 160 160 THR CA C 160 65.300 65.300 66.037 -0.737 17717 756 1 1 . 1 1 160 160 THR CB C 160 68.900 68.900 68.536 0.364 17717 757 1 1 . 1 1 160 160 THR H H 160 8.100 8.100 7.901 0.199 17717 758 1 1 . 1 1 161 161 GLN N N 161 122.440 122.440 118.654 3.786 17717 759 1 1 . 1 1 161 161 GLN HA H 161 4.220 4.220 4.378 -0.158 17717 760 1 1 . 1 1 161 161 GLN CA C 161 56.900 56.900 58.930 -2.030 17717 761 1 1 . 1 1 161 161 GLN CB C 161 26.160 26.160 29.193 -3.033 17717 762 1 1 . 1 1 161 161 GLN H H 161 8.070 8.070 7.966 0.104 17717 763 1 1 . 1 1 162 162 LEU N N 162 115.398 115.398 120.748 -5.350 17717 764 1 1 . 1 1 162 162 LEU HA H 162 4.220 4.220 4.436 -0.216 17717 765 1 1 . 1 1 162 162 LEU CA C 162 56.500 56.500 56.071 0.429 17717 766 1 1 . 1 1 162 162 LEU CB C 162 41.000 41.000 40.898 0.102 17717 767 1 1 . 1 1 162 162 LEU H H 162 7.980 7.980 7.815 0.165 17717 768 1 1 . 1 1 163 163 ALA N N 163 122.210 122.210 122.974 -0.764 17717 769 1 1 . 1 1 163 163 ALA HA H 163 4.260 4.260 4.103 0.157 17717 770 1 1 . 1 1 163 163 ALA CA C 163 56.560 56.560 57.174 -0.614 17717 771 1 1 . 1 1 163 163 ALA CB C 163 15.000 15.000 16.218 -1.218 17717 772 1 1 . 1 1 163 163 ALA H H 163 7.460 7.460 8.257 -0.797 17717 773 1 1 . 1 1 164 164 PRO CA C 164 62.800 62.800 65.898 -3.098 17717 774 1 1 . 1 1 164 164 PRO CB C 164 31.500 31.500 31.228 0.272 17717 775 1 1 . 1 1 165 165 HIS N N 165 120.080 120.080 116.749 3.331 17717 776 1 1 . 1 1 165 165 HIS HA H 165 4.390 4.390 4.234 0.156 17717 777 1 1 . 1 1 165 165 HIS CA C 165 56.000 56.000 60.427 -4.427 17717 778 1 1 . 1 1 165 165 HIS CB C 165 28.400 28.400 29.703 -1.303 17717 779 1 1 . 1 1 165 165 HIS H H 165 8.060 8.060 7.855 0.205 17717 780 1 1 . 1 1 166 166 SER N N 166 116.366 116.366 115.069 1.297 17717 781 1 1 . 1 1 166 166 SER HA H 166 4.300 4.300 4.033 0.267 17717 782 1 1 . 1 1 166 166 SER CA C 166 61.200 61.200 62.264 -1.064 17717 783 1 1 . 1 1 166 166 SER CB C 166 63.000 63.000 62.909 0.091 17717 784 1 1 . 1 1 166 166 SER H H 166 8.040 8.040 8.352 -0.312 17717 785 1 1 . 1 1 167 167 GLU N N 167 121.678 121.678 122.362 -0.684 17717 786 1 1 . 1 1 167 167 GLU HA H 167 3.922 3.922 4.001 -0.079 17717 787 1 1 . 1 1 167 167 GLU CA C 167 62.800 62.800 59.452 3.348 17717 788 1 1 . 1 1 167 167 GLU CB C 167 31.100 31.100 29.551 1.549 17717 789 1 1 . 1 1 167 167 GLU H H 167 7.760 7.760 7.644 0.116 17717 790 1 1 . 1 1 168 168 GLN N N 168 121.147 121.147 118.458 2.689 17717 791 1 1 . 1 1 168 168 GLN HA H 168 4.320 4.320 4.131 0.189 17717 792 1 1 . 1 1 168 168 GLN CA C 168 55.300 55.300 58.207 -2.907 17717 793 1 1 . 1 1 168 168 GLN CB C 168 28.200 28.200 28.573 -0.373 17717 794 1 1 . 1 1 168 168 GLN H H 168 8.450 8.450 8.408 0.042 17717 795 1 1 . 1 1 170 170 ARG CA C 170 58.370 58.370 59.439 -1.069 17717 796 1 1 . 1 1 170 170 ARG CB C 170 28.900 28.900 30.204 -1.304 17717 797 1 1 . 1 1 171 171 GLU N N 171 117.960 117.960 119.000 -1.040 17717 798 1 1 . 1 1 171 171 GLU HA H 171 4.140 4.140 4.220 -0.080 17717 799 1 1 . 1 1 171 171 GLU CA C 171 57.300 57.300 59.646 -2.346 17717 800 1 1 . 1 1 171 171 GLU CB C 171 29.200 29.200 29.575 -0.375 17717 801 1 1 . 1 1 171 171 GLU H H 171 7.730 7.730 7.505 0.225 17717 802 1 1 . 1 1 172 172 SER N N 172 116.366 116.366 116.979 -0.613 17717 803 1 1 . 1 1 172 172 SER HA H 172 4.270 4.270 4.219 0.051 17717 804 1 1 . 1 1 172 172 SER CA C 172 58.000 58.000 62.041 -4.042 17717 805 1 1 . 1 1 172 172 SER CB C 172 63.000 63.000 62.788 0.212 17717 806 1 1 . 1 1 172 172 SER H H 172 8.320 8.320 8.754 -0.434 17717 807 1 1 . 1 1 173 173 LEU N N 173 124.866 124.866 121.045 3.821 17717 808 1 1 . 1 1 173 173 LEU HA H 173 4.352 4.352 4.119 0.233 17717 809 1 1 . 1 1 173 173 LEU CA C 173 54.540 54.540 57.825 -3.285 17717 810 1 1 . 1 1 173 173 LEU CB C 173 41.400 41.400 41.441 -0.041 17717 811 1 1 . 1 1 173 173 LEU H H 173 8.260 8.260 7.805 0.455 17717 812 1 1 . 1 1 174 174 ALA N N 174 126.460 126.460 121.231 5.229 17717 813 1 1 . 1 1 174 174 ALA HA H 174 4.270 4.270 3.844 0.426 17717 814 1 1 . 1 1 174 174 ALA CA C 174 55.400 55.400 54.761 0.639 17717 815 1 1 . 1 1 174 174 ALA CB C 174 17.200 17.200 18.072 -0.872 17717 816 1 1 . 1 1 174 174 ALA H H 174 8.210 8.210 7.421 0.789 17717 817 1 1 . 1 1 175 175 GLN N N 175 117.430 117.430 118.416 -0.986 17717 818 1 1 . 1 1 175 175 GLN HA H 175 4.060 4.060 4.001 0.059 17717 819 1 1 . 1 1 175 175 GLN CA C 175 58.600 58.600 58.264 0.336 17717 820 1 1 . 1 1 175 175 GLN CB C 175 27.400 27.400 28.641 -1.241 17717 821 1 1 . 1 1 175 175 GLN H H 175 8.450 8.450 8.182 0.268 17717 822 1 1 . 1 1 176 176 ARG N N 176 119.550 119.550 121.048 -1.498 17717 823 1 1 . 1 1 176 176 ARG HA H 176 4.180 4.180 3.936 0.244 17717 824 1 1 . 1 1 176 176 ARG CA C 176 56.900 56.900 59.753 -2.853 17717 825 1 1 . 1 1 176 176 ARG CB C 176 29.300 29.300 30.226 -0.926 17717 826 1 1 . 1 1 176 176 ARG H H 176 8.070 8.070 8.330 -0.260 17717 827 1 1 . 1 1 177 177 LEU N N 177 115.840 115.840 116.434 -0.594 17717 828 1 1 . 1 1 177 177 LEU HA H 177 4.180 4.180 3.897 0.283 17717 829 1 1 . 1 1 177 177 LEU CA C 177 56.900 56.900 57.924 -1.024 17717 830 1 1 . 1 1 177 177 LEU CB C 177 40.100 40.100 40.938 -0.838 17717 831 1 1 . 1 1 177 177 LEU H H 177 8.330 8.330 7.463 0.867 17717 832 1 1 . 1 1 178 178 ALA N N 178 121.220 121.220 121.195 0.025 17717 833 1 1 . 1 1 178 178 ALA HA H 178 3.880 3.880 3.937 -0.057 17717 834 1 1 . 1 1 178 178 ALA CA C 178 54.600 54.600 54.686 -0.086 17717 835 1 1 . 1 1 178 178 ALA CB C 178 16.900 16.900 18.007 -1.107 17717 836 1 1 . 1 1 178 178 ALA H H 178 8.570 8.570 7.507 1.063 17717 837 1 1 . 1 1 179 179 GLU N N 179 118.490 118.490 120.284 -1.794 17717 838 1 1 . 1 1 179 179 GLU HA H 179 4.180 4.180 4.028 0.152 17717 839 1 1 . 1 1 179 179 GLU CA C 179 56.600 56.600 59.319 -2.719 17717 840 1 1 . 1 1 179 179 GLU CB C 179 29.000 29.000 29.734 -0.734 17717 841 1 1 . 1 1 179 179 GLU H H 179 7.680 7.680 8.000 -0.320 17717 842 1 1 . 1 1 180 180 LEU N N 180 117.730 117.730 117.730 0.000 17717 843 1 1 . 1 1 180 180 LEU HA H 180 4.265 4.265 4.066 0.199 17717 844 1 1 . 1 1 180 180 LEU CA C 180 55.020 55.020 57.401 -2.381 17717 845 1 1 . 1 1 180 180 LEU CB C 180 41.100 41.100 41.623 -0.523 17717 846 1 1 . 1 1 180 180 LEU H H 180 7.680 7.680 7.541 0.139 17717 847 1 1 . 1 1 181 181 LYS N N 181 117.400 117.400 119.269 -1.869 17717 848 1 1 . 1 1 181 181 LYS HA H 181 4.480 4.480 3.927 0.553 17717 849 1 1 . 1 1 181 181 LYS CA C 181 61.900 61.900 58.512 3.388 17717 850 1 1 . 1 1 181 181 LYS CB C 181 31.800 31.800 32.651 -0.851 17717 851 1 1 . 1 1 181 181 LYS H H 181 7.510 7.510 7.794 -0.284 17717 852 1 1 . 1 1 182 182 SER N N 182 114.010 114.010 112.571 1.439 17717 853 1 1 . 1 1 182 182 SER HA H 182 4.350 4.350 4.272 0.078 17717 854 1 1 . 1 1 182 182 SER CA C 182 58.000 58.000 59.588 -1.588 17717 855 1 1 . 1 1 182 182 SER CB C 182 63.300 63.300 64.044 -0.744 17717 856 1 1 . 1 1 182 182 SER H H 182 7.920 7.920 7.897 0.022 17717 857 1 1 . 1 1 183 183 ASN N N 183 123.040 123.040 119.356 3.684 17717 858 1 1 . 1 1 183 183 ASN HA H 183 4.310 4.310 4.629 -0.319 17717 859 1 1 . 1 1 183 183 ASN CA C 183 55.115 55.115 53.172 1.943 17717 860 1 1 . 1 1 183 183 ASN CB C 183 37.838 37.838 38.176 -0.338 17717 861 1 1 . 1 1 183 183 ASN H H 183 8.250 8.250 7.870 0.380 17717 862 1 1 . 1 1 184 184 PRO CA C 184 63.180 63.180 64.501 -1.321 17717 863 1 1 . 1 1 184 184 PRO CB C 184 31.400 31.400 32.362 -0.962 17717 864 1 1 . 1 1 185 185 THR N N 185 114.240 114.240 110.583 3.657 17717 865 1 1 . 1 1 185 185 THR HA H 185 4.270 4.270 4.461 -0.191 17717 866 1 1 . 1 1 185 185 THR CA C 185 61.200 61.200 61.111 0.089 17717 867 1 1 . 1 1 185 185 THR CB C 185 69.100 69.100 71.019 -1.919 17717 868 1 1 . 1 1 185 185 THR H H 185 8.150 8.150 7.702 0.448 17717 869 1 1 . 1 1 186 186 LEU N N 186 123.270 123.270 118.510 4.760 17717 870 1 1 . 1 1 186 186 LEU HA H 186 4.350 4.350 4.598 -0.248 17717 871 1 1 . 1 1 186 186 LEU CA C 186 55.000 55.000 54.737 0.263 17717 872 1 1 . 1 1 186 186 LEU CB C 186 41.000 41.000 44.705 -3.705 17717 873 1 1 . 1 1 186 186 LEU H H 186 8.430 8.430 8.044 0.386 17717 874 1 1 . 1 1 187 187 ASN N N 187 119.020 119.020 119.867 -0.847 17717 875 1 1 . 1 1 187 187 ASN HA H 187 4.530 4.530 4.946 -0.416 17717 876 1 1 . 1 1 187 187 ASN CA C 187 53.400 53.400 52.653 0.748 17717 877 1 1 . 1 1 187 187 ASN CB C 187 37.900 37.900 40.533 -2.633 17717 878 1 1 . 1 1 187 187 ASN H H 187 8.370 8.370 8.439 -0.069 17717 879 1 1 . 1 1 188 188 GLU N N 188 123.270 123.270 121.501 1.769 17717 880 1 1 . 1 1 188 188 GLU HA H 188 4.000 4.000 4.617 -0.617 17717 881 1 1 . 1 1 188 188 GLU CA C 188 61.700 61.700 56.108 5.592 17717 882 1 1 . 1 1 188 188 GLU CB C 188 32.100 32.100 29.914 2.186 17717 883 1 1 . 1 1 188 188 GLU H H 188 7.870 7.870 8.627 -0.757 17717 884 1 1 . 1 1 189 189 TYR N N 189 122.210 122.210 124.193 -1.983 17717 885 1 1 . 1 1 189 189 TYR HA H 189 4.440 4.440 4.619 -0.179 17717 886 1 1 . 1 1 189 189 TYR CA C 189 57.120 57.120 58.056 -0.936 17717 887 1 1 . 1 1 189 189 TYR CB C 189 40.000 40.000 40.303 -0.303 17717 888 1 1 . 1 1 189 189 TYR H H 189 8.590 8.590 8.697 -0.107 17717 889 1 1 . 1 1 190 190 HIS N N 190 124.866 124.866 127.087 -2.221 17717 890 1 1 . 1 1 190 190 HIS HA H 190 4.780 4.780 4.685 0.095 17717 891 1 1 . 1 1 190 190 HIS CA C 190 56.000 56.000 54.824 1.176 17717 892 1 1 . 1 1 190 190 HIS CB C 190 29.400 29.400 28.051 1.349 17717 893 1 1 . 1 1 190 190 HIS H H 190 8.420 8.420 8.652 -0.232 17717 894 1 1 . 1 1 191 191 SER N N 191 117.429 117.429 119.250 -1.821 17717 895 1 1 . 1 1 191 191 SER HA H 191 4.140 4.140 4.273 -0.133 17717 896 1 1 . 1 1 191 191 SER CA C 191 58.140 58.140 59.575 -1.435 17717 897 1 1 . 1 1 191 191 SER CB C 191 63.140 63.140 63.592 -0.452 17717 898 1 1 . 1 1 191 191 SER H H 191 8.270 8.270 8.304 -0.034 17717 899 1 1 . 1 1 192 192 SER N N 192 124.335 124.335 121.364 2.971 17717 900 1 1 . 1 1 192 192 SER HA H 192 4.730 4.730 4.292 0.438 17717 901 1 1 . 1 1 192 192 SER CA C 192 59.020 59.020 59.857 -0.837 17717 902 1 1 . 1 1 192 192 SER CB C 192 63.000 63.000 63.621 -0.621 17717 903 1 1 . 1 1 192 192 SER H H 192 8.010 8.010 8.522 -0.512 17717 904 1 1 . 1 1 193 193 ALA N N 193 125.930 125.930 123.153 2.777 17717 905 1 1 . 1 1 193 193 ALA HA H 193 4.310 4.310 4.623 -0.313 17717 906 1 1 . 1 1 193 193 ALA CA C 193 52.300 52.300 52.202 0.098 17717 907 1 1 . 1 1 193 193 ALA CB C 193 18.000 18.000 19.131 -1.131 17717 908 1 1 . 1 1 193 193 ALA H H 193 8.100 8.100 8.125 -0.025 17717 909 1 1 . 1 1 194 194 LYS N N 194 126.460 126.460 121.174 5.286 17717 910 1 1 . 1 1 194 194 LYS HA H 194 4.220 4.220 4.478 -0.258 17717 911 1 1 . 1 1 194 194 LYS CA C 194 56.600 56.600 56.376 0.224 17717 912 1 1 . 1 1 194 194 LYS CB C 194 33.000 33.000 33.717 -0.717 17717 913 1 1 . 1 1 194 194 LYS H H 194 7.860 7.860 8.280 -0.420 17717 914 1 1 . 1 1 195 195 SER N N 195 117.429 117.429 118.380 -0.951 17717 915 1 1 . 1 1 195 195 SER HA H 195 4.430 4.430 4.136 0.294 17717 916 1 1 . 1 1 195 195 SER CA C 195 58.499 58.499 58.872 -0.373 17717 917 1 1 . 1 1 195 195 SER CB C 195 63.129 63.129 62.663 0.466 17717 918 1 1 . 1 1 195 195 SER H H 195 8.240 8.240 9.004 -0.764 17717 919 1 1 . 1 1 196 196 HIS N N 196 122.440 122.440 119.133 3.307 17717 920 1 1 . 1 1 196 196 HIS HA H 196 4.222 4.222 4.279 -0.057 17717 921 1 1 . 1 1 196 196 HIS CA C 196 55.743 55.743 59.056 -3.313 17717 922 1 1 . 1 1 196 196 HIS CB C 196 28.566 28.566 29.948 -1.383 17717 923 1 1 . 1 1 196 196 HIS H H 196 8.044 8.044 8.701 -0.657 17717 924 1 1 . 1 1 197 197 LEU N N 197 117.429 117.429 120.289 -2.860 17717 925 1 1 . 1 1 197 197 LEU HA H 197 4.179 4.179 4.221 -0.042 17717 926 1 1 . 1 1 197 197 LEU CA C 197 54.540 54.540 58.230 -3.690 17717 927 1 1 . 1 1 197 197 LEU CB C 197 40.040 40.040 41.802 -1.762 17717 928 1 1 . 1 1 197 197 LEU H H 197 8.044 8.044 8.264 -0.220 17717 929 1 1 . 1 1 198 198 LYS N N 198 117.430 117.430 119.449 -2.019 17717 930 1 1 . 1 1 198 198 LYS HA H 198 4.140 4.140 3.957 0.183 17717 931 1 1 . 1 1 198 198 LYS CA C 198 57.600 57.600 59.392 -1.792 17717 932 1 1 . 1 1 198 198 LYS CB C 198 32.000 32.000 31.708 0.292 17717 933 1 1 . 1 1 198 198 LYS H H 198 7.510 7.510 8.214 -0.704 17717 934 1 1 . 1 1 199 199 SER N N 199 114.315 114.315 115.015 -0.700 17717 935 1 1 . 1 1 199 199 SER HA H 199 4.310 4.310 4.112 0.198 17717 936 1 1 . 1 1 199 199 SER CA C 199 62.000 62.000 60.967 1.033 17717 937 1 1 . 1 1 199 199 SER CB C 199 63.600 63.600 62.950 0.650 17717 938 1 1 . 1 1 199 199 SER H H 199 7.930 7.930 8.038 -0.108 17717 939 1 1 . 1 1 200 200 LEU N N 200 124.335 124.335 122.257 2.078 17717 940 1 1 . 1 1 200 200 LEU HA H 200 4.260 4.260 4.238 0.022 17717 941 1 1 . 1 1 200 200 LEU CA C 200 55.200 55.200 57.255 -2.055 17717 942 1 1 . 1 1 200 200 LEU CB C 200 41.200 41.200 41.956 -0.756 17717 943 1 1 . 1 1 200 200 LEU H H 200 8.170 8.170 7.348 0.822 17717 944 1 1 . 1 1 201 201 GLY N N 201 109.990 109.990 106.180 3.810 17717 945 1 1 . 1 1 201 201 GLY CA C 201 44.700 44.700 46.841 -2.141 17717 946 1 1 . 1 1 201 201 GLY H H 201 8.290 8.290 7.976 0.314 17717 947 1 1 . 1 1 202 202 GLU N N 202 126.460 126.460 120.373 6.087 17717 948 1 1 . 1 1 202 202 GLU HA H 202 4.220 4.220 4.195 0.025 17717 949 1 1 . 1 1 202 202 GLU CA C 202 56.600 56.600 58.302 -1.702 17717 950 1 1 . 1 1 202 202 GLU CB C 202 32.800 32.800 29.979 2.821 17717 951 1 1 . 1 1 202 202 GLU H H 202 7.750 7.750 7.729 0.021 17717 952 1 1 . 1 1 203 203 LYS CA C 203 55.775 55.775 55.287 0.488 17717 953 1 1 . 1 1 203 203 LYS CB C 203 32.283 32.283 33.568 -1.285 17717 954 1 1 . 1 1 204 204 ALA N N 204 125.390 125.390 121.768 3.622 17717 955 1 1 . 1 1 204 204 ALA HA H 204 4.310 4.310 4.568 -0.258 17717 956 1 1 . 1 1 204 204 ALA CA C 204 52.000 52.000 50.760 1.240 17717 957 1 1 . 1 1 204 204 ALA CB C 204 18.400 18.400 21.028 -2.628 17717 958 1 1 . 1 1 204 204 ALA H H 204 8.180 8.180 7.178 1.002 17717 959 1 1 . 1 1 205 205 ARG N N 205 121.150 121.150 119.154 1.996 17717 960 1 1 . 1 1 205 205 ARG HA H 205 4.270 4.270 4.351 -0.081 17717 961 1 1 . 1 1 205 205 ARG CA C 205 56.384 56.384 54.464 1.920 17717 962 1 1 . 1 1 205 205 ARG CB C 205 29.193 29.193 29.394 -0.201 17717 963 1 1 . 1 1 205 205 ARG H H 205 8.350 8.350 8.515 -0.165 17717 964 1 1 . 1 1 206 206 PRO CA C 206 62.600 62.600 63.533 -0.933 17717 965 1 1 . 1 1 206 206 PRO CB C 206 31.400 31.400 30.409 0.991 17717 966 1 1 . 1 1 207 207 ALA N N 207 125.400 125.400 125.358 0.042 17717 967 1 1 . 1 1 207 207 ALA HA H 207 4.308 4.308 4.295 0.013 17717 968 1 1 . 1 1 207 207 ALA CA C 207 51.700 51.700 53.068 -1.368 17717 969 1 1 . 1 1 207 207 ALA CB C 207 18.200 18.200 19.743 -1.543 17717 970 1 1 . 1 1 207 207 ALA H H 207 8.400 8.400 8.294 0.106 17717 971 1 1 . 1 1 208 208 LEU N N 208 121.680 121.680 121.768 -0.088 17717 972 1 1 . 1 1 208 208 LEU HA H 208 4.480 4.480 4.294 0.186 17717 973 1 1 . 1 1 208 208 LEU CA C 208 55.100 55.100 56.642 -1.542 17717 974 1 1 . 1 1 208 208 LEU CB C 208 41.200 41.200 42.732 -1.532 17717 975 1 1 . 1 1 208 208 LEU H H 208 8.180 8.180 7.687 0.493 17717 976 1 1 . 1 1 209 209 GLU N N 209 121.147 121.147 119.813 1.334 17717 977 1 1 . 1 1 209 209 GLU HA H 209 4.180 4.180 3.829 0.351 17717 978 1 1 . 1 1 209 209 GLU CA C 209 56.477 56.477 59.567 -3.090 17717 979 1 1 . 1 1 209 209 GLU CB C 209 29.250 29.250 28.798 0.452 17717 980 1 1 . 1 1 209 209 GLU H H 209 8.380 8.380 8.554 -0.174 17717 981 1 1 . 1 1 210 210 ASP N N 210 121.147 121.147 119.066 2.081 17717 982 1 1 . 1 1 210 210 ASP HA H 210 4.260 4.260 4.517 -0.257 17717 983 1 1 . 1 1 210 210 ASP CA C 210 55.000 55.000 57.023 -2.023 17717 984 1 1 . 1 1 210 210 ASP CB C 210 37.200 37.200 40.872 -3.672 17717 985 1 1 . 1 1 210 210 ASP H H 210 8.280 8.280 7.946 0.334 17717 986 1 1 . 1 1 211 211 LEU N N 211 122.210 122.210 119.276 2.934 17717 987 1 1 . 1 1 211 211 LEU HA H 211 4.220 4.220 4.240 -0.020 17717 988 1 1 . 1 1 211 211 LEU CA C 211 57.400 57.400 56.940 0.460 17717 989 1 1 . 1 1 211 211 LEU CB C 211 39.430 39.430 41.616 -2.186 17717 990 1 1 . 1 1 211 211 LEU H H 211 8.640 8.640 7.627 1.013 17717 991 1 1 . 1 1 212 212 ARG N N 212 119.550 119.550 119.582 -0.032 17717 992 1 1 . 1 1 212 212 ARG HA H 212 4.220 4.220 3.902 0.318 17717 993 1 1 . 1 1 212 212 ARG CA C 212 57.400 57.400 59.268 -1.868 17717 994 1 1 . 1 1 212 212 ARG CB C 212 29.600 29.600 30.281 -0.681 17717 995 1 1 . 1 1 212 212 ARG H H 212 7.910 7.910 8.219 -0.309 17717 996 1 1 . 1 1 213 213 HIS CA C 213 56.200 56.200 58.587 -2.387 17717 997 1 1 . 1 1 213 213 HIS CB C 213 31.900 31.900 30.317 1.583 17717 998 1 1 . 1 1 214 214 SER N N 214 116.366 116.366 116.433 -0.067 17717 999 1 1 . 1 1 214 214 SER HA H 214 4.265 4.265 4.460 -0.195 17717 1000 1 1 . 1 1 214 214 SER CA C 214 61.100 61.100 58.500 2.600 17717 1001 1 1 . 1 1 214 214 SER CB C 214 63.100 63.100 62.336 0.764 17717 1002 1 1 . 1 1 214 214 SER H H 214 8.140 8.140 7.835 0.305 17717 1003 1 1 . 1 1 215 215 LEU N N 215 130.565 130.565 124.089 6.476 17717 1004 1 1 . 1 1 215 215 LEU HA H 215 4.730 4.730 4.456 0.274 17717 1005 1 1 . 1 1 215 215 LEU CA C 215 54.900 54.900 55.388 -0.488 17717 1006 1 1 . 1 1 215 215 LEU CB C 215 42.000 42.000 43.068 -1.068 17717 1007 1 1 . 1 1 215 215 LEU H H 215 7.890 7.890 8.131 -0.241 17717 1008 1 2 . 1 1 2 2 GLU N N 2 121.678 121.678 123.795 -2.117 17717 1009 1 2 . 1 1 2 2 GLU HA H 2 4.488 4.488 4.360 0.128 17717 1010 1 2 . 1 1 2 2 GLU CA C 2 56.418 56.418 55.477 0.941 17717 1011 1 2 . 1 1 2 2 GLU CB C 2 29.014 29.014 29.605 -0.591 17717 1012 1 2 . 1 1 2 2 GLU H H 2 8.276 8.276 8.217 0.059 17717 1013 1 2 . 1 1 3 3 PRO CA C 3 62.923 62.923 63.043 -0.120 17717 1014 1 2 . 1 1 3 3 PRO CB C 3 31.547 31.547 32.390 -0.843 17717 1015 1 2 . 1 1 4 4 GLN N N 4 121.147 121.147 116.450 4.697 17717 1016 1 2 . 1 1 4 4 GLN HA H 4 4.349 4.349 4.132 0.217 17717 1017 1 2 . 1 1 4 4 GLN CA C 4 55.450 55.450 57.047 -1.597 17717 1018 1 2 . 1 1 4 4 GLN CB C 4 28.854 28.854 28.568 0.286 17717 1019 1 2 . 1 1 4 4 GLN H H 4 8.500 8.500 8.544 -0.044 17717 1020 1 2 . 1 1 5 5 SER N N 5 117.429 117.429 113.781 3.648 17717 1021 1 2 . 1 1 5 5 SER HA H 5 4.329 4.329 3.029 1.300 17717 1022 1 2 . 1 1 5 5 SER CA C 5 58.100 58.100 58.054 0.045 17717 1023 1 2 . 1 1 5 5 SER CB C 5 63.485 63.485 63.521 -0.036 17717 1024 1 2 . 1 1 5 5 SER H H 5 8.370 8.370 8.445 -0.075 17717 1025 1 2 . 1 1 6 6 GLN N N 6 123.803 123.803 121.932 1.871 17717 1026 1 2 . 1 1 6 6 GLN CA C 6 56.330 56.330 58.842 -2.511 17717 1027 1 2 . 1 1 6 6 GLN CB C 6 28.800 28.800 28.545 0.255 17717 1028 1 2 . 1 1 6 6 GLN H H 6 8.620 8.620 8.515 0.104 17717 1029 1 2 . 1 1 7 7 TRP N N 7 119.022 119.022 119.591 -0.569 17717 1030 1 2 . 1 1 7 7 TRP HA H 7 4.394 4.394 4.504 -0.110 17717 1031 1 2 . 1 1 7 7 TRP CA C 7 59.800 59.800 59.105 0.695 17717 1032 1 2 . 1 1 7 7 TRP CB C 7 27.800 27.800 28.276 -0.476 17717 1033 1 2 . 1 1 7 7 TRP H H 7 7.970 7.970 8.290 -0.320 17717 1034 1 2 . 1 1 8 8 ASP N N 8 121.678 121.678 120.663 1.015 17717 1035 1 2 . 1 1 8 8 ASP HA H 8 4.409 4.409 4.430 -0.021 17717 1036 1 2 . 1 1 8 8 ASP CA C 8 56.912 56.912 57.301 -0.389 17717 1037 1 2 . 1 1 8 8 ASP CB C 8 38.400 38.400 40.484 -2.084 17717 1038 1 2 . 1 1 8 8 ASP H H 8 8.440 8.440 6.943 1.497 17717 1039 1 2 . 1 1 9 9 LYS N N 9 120.616 120.616 120.809 -0.193 17717 1040 1 2 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.167 -0.077 17717 1041 1 2 . 1 1 9 9 LYS CA C 9 58.277 58.277 58.560 -0.284 17717 1042 1 2 . 1 1 9 9 LYS CB C 9 31.550 31.550 32.220 -0.670 17717 1043 1 2 . 1 1 9 9 LYS H H 9 7.830 7.830 7.320 0.510 17717 1044 1 2 . 1 1 10 10 VAL N N 10 118.491 118.491 116.023 2.468 17717 1045 1 2 . 1 1 10 10 VAL HA H 10 3.830 3.830 4.178 -0.348 17717 1046 1 2 . 1 1 10 10 VAL CA C 10 65.630 65.630 66.877 -1.247 17717 1047 1 2 . 1 1 10 10 VAL CB C 10 31.300 31.300 31.171 0.129 17717 1048 1 2 . 1 1 10 10 VAL H H 10 7.160 7.160 8.300 -1.140 17717 1049 1 2 . 1 1 11 11 LYS N N 11 122.210 122.210 118.987 3.223 17717 1050 1 2 . 1 1 11 11 LYS HA H 11 3.880 3.880 3.841 0.039 17717 1051 1 2 . 1 1 11 11 LYS CA C 11 59.460 59.460 59.508 -0.048 17717 1052 1 2 . 1 1 11 11 LYS CB C 11 31.200 31.200 31.977 -0.777 17717 1053 1 2 . 1 1 11 11 LYS H H 11 8.660 8.660 7.708 0.952 17717 1054 1 2 . 1 1 12 12 ASP N N 12 119.553 119.553 120.646 -1.093 17717 1055 1 2 . 1 1 12 12 ASP HA H 12 4.140 4.140 4.525 -0.385 17717 1056 1 2 . 1 1 12 12 ASP CA C 12 57.381 57.381 57.182 0.199 17717 1057 1 2 . 1 1 12 12 ASP CB C 12 39.800 39.800 40.916 -1.116 17717 1058 1 2 . 1 1 12 12 ASP H H 12 7.790 7.790 7.909 -0.119 17717 1059 1 2 . 1 1 13 13 PHE N N 13 116.500 116.500 118.399 -1.899 17717 1060 1 2 . 1 1 13 13 PHE HA H 13 4.690 4.690 4.233 0.457 17717 1061 1 2 . 1 1 13 13 PHE CA C 13 58.662 58.662 60.313 -1.651 17717 1062 1 2 . 1 1 13 13 PHE CB C 13 38.700 38.700 37.861 0.839 17717 1063 1 2 . 1 1 13 13 PHE H H 13 7.680 7.680 7.700 -0.020 17717 1064 1 2 . 1 1 14 14 ALA N N 14 122.209 122.209 123.269 -1.060 17717 1065 1 2 . 1 1 14 14 ALA HA H 14 4.008 4.008 3.630 0.378 17717 1066 1 2 . 1 1 14 14 ALA CA C 14 54.550 54.550 54.723 -0.173 17717 1067 1 2 . 1 1 14 14 ALA CB C 14 17.250 17.250 18.086 -0.836 17717 1068 1 2 . 1 1 14 14 ALA H H 14 8.760 8.760 7.364 1.396 17717 1069 1 2 . 1 1 15 15 ASN N N 15 119.553 119.553 114.722 4.831 17717 1070 1 2 . 1 1 15 15 ASN HA H 15 4.520 4.520 4.317 0.203 17717 1071 1 2 . 1 1 15 15 ASN CA C 15 56.084 56.084 55.294 0.791 17717 1072 1 2 . 1 1 15 15 ASN CB C 15 38.544 38.544 38.417 0.127 17717 1073 1 2 . 1 1 15 15 ASN H H 15 8.930 8.930 7.479 1.451 17717 1074 1 2 . 1 1 16 16 VAL N N 16 116.897 116.897 121.946 -5.049 17717 1075 1 2 . 1 1 16 16 VAL HA H 16 3.590 3.590 3.588 0.002 17717 1076 1 2 . 1 1 16 16 VAL CA C 16 64.600 64.600 67.672 -3.072 17717 1077 1 2 . 1 1 16 16 VAL CB C 16 31.800 31.800 31.629 0.171 17717 1078 1 2 . 1 1 16 16 VAL H H 16 7.870 7.870 7.455 0.415 17717 1079 1 2 . 1 1 17 17 TYR N N 17 112.116 112.116 117.194 -5.078 17717 1080 1 2 . 1 1 17 17 TYR HA H 17 4.751 4.751 4.370 0.381 17717 1081 1 2 . 1 1 17 17 TYR CA C 17 59.040 59.040 60.540 -1.500 17717 1082 1 2 . 1 1 17 17 TYR CB C 17 39.060 39.060 37.124 1.936 17717 1083 1 2 . 1 1 17 17 TYR H H 17 8.000 8.000 8.239 -0.239 17717 1084 1 2 . 1 1 18 18 VAL N N 18 114.241 114.241 121.038 -6.797 17717 1085 1 2 . 1 1 18 18 VAL HA H 18 4.220 4.220 3.410 0.810 17717 1086 1 2 . 1 1 18 18 VAL CA C 18 63.520 63.520 66.669 -3.149 17717 1087 1 2 . 1 1 18 18 VAL CB C 18 31.128 31.128 31.377 -0.249 17717 1088 1 2 . 1 1 18 18 VAL H H 18 7.600 7.600 6.782 0.818 17717 1089 1 2 . 1 1 19 19 ASP N N 19 123.272 123.272 120.025 3.247 17717 1090 1 2 . 1 1 19 19 ASP HA H 19 4.523 4.523 4.367 0.156 17717 1091 1 2 . 1 1 19 19 ASP CA C 19 56.445 56.445 57.658 -1.213 17717 1092 1 2 . 1 1 19 19 ASP CB C 19 38.700 38.700 40.800 -2.100 17717 1093 1 2 . 1 1 19 19 ASP H H 19 8.890 8.890 8.201 0.689 17717 1094 1 2 . 1 1 20 20 ALA N N 20 118.491 118.491 122.511 -4.020 17717 1095 1 2 . 1 1 20 20 ALA HA H 20 4.230 4.230 4.288 -0.058 17717 1096 1 2 . 1 1 20 20 ALA CA C 20 54.100 54.100 55.323 -1.223 17717 1097 1 2 . 1 1 20 20 ALA CB C 20 18.760 18.760 19.032 -0.272 17717 1098 1 2 . 1 1 20 20 ALA H H 20 6.630 6.630 7.567 -0.937 17717 1099 1 2 . 1 1 21 21 VAL N N 21 116.897 116.897 116.883 0.014 17717 1100 1 2 . 1 1 21 21 VAL HA H 21 3.664 3.664 3.883 -0.219 17717 1101 1 2 . 1 1 21 21 VAL CA C 21 66.200 66.200 65.867 0.333 17717 1102 1 2 . 1 1 21 21 VAL CB C 21 30.460 30.460 31.811 -1.351 17717 1103 1 2 . 1 1 21 21 VAL H H 21 7.410 7.410 7.754 -0.344 17717 1104 1 2 . 1 1 22 22 LYS N N 22 121.147 121.147 119.062 2.085 17717 1105 1 2 . 1 1 22 22 LYS HA H 22 4.222 4.222 4.071 0.151 17717 1106 1 2 . 1 1 22 22 LYS CA C 22 59.300 59.300 59.019 0.281 17717 1107 1 2 . 1 1 22 22 LYS CB C 22 31.100 31.100 31.620 -0.520 17717 1108 1 2 . 1 1 22 22 LYS H H 22 8.180 8.180 8.413 -0.233 17717 1109 1 2 . 1 1 23 23 ASP N N 23 121.278 121.278 119.731 1.547 17717 1110 1 2 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.499 0.067 17717 1111 1 2 . 1 1 23 23 ASP CA C 23 56.300 56.300 57.041 -0.742 17717 1112 1 2 . 1 1 23 23 ASP CB C 23 38.800 38.800 40.781 -1.981 17717 1113 1 2 . 1 1 23 23 ASP H H 23 8.860 8.860 7.930 0.930 17717 1114 1 2 . 1 1 24 24 SER N N 24 118.491 118.491 115.221 3.270 17717 1115 1 2 . 1 1 24 24 SER HA H 24 4.132 4.132 3.712 0.420 17717 1116 1 2 . 1 1 24 24 SER CA C 24 61.600 61.600 60.864 0.736 17717 1117 1 2 . 1 1 24 24 SER CB C 24 62.442 62.442 62.175 0.267 17717 1118 1 2 . 1 1 24 24 SER H H 24 7.950 7.950 7.845 0.105 17717 1119 1 2 . 1 1 25 25 GLY N N 25 108.377 108.377 110.906 -2.529 17717 1120 1 2 . 1 1 25 25 GLY CA C 25 44.400 44.400 46.691 -2.291 17717 1121 1 2 . 1 1 25 25 GLY H H 25 7.560 7.560 7.657 -0.097 17717 1122 1 2 . 1 1 26 26 ARG N N 26 124.240 124.240 121.800 2.440 17717 1123 1 2 . 1 1 26 26 ARG HA H 26 4.303 4.303 4.114 0.189 17717 1124 1 2 . 1 1 26 26 ARG CA C 26 54.000 54.000 59.301 -5.301 17717 1125 1 2 . 1 1 26 26 ARG CB C 26 28.240 28.240 30.035 -1.795 17717 1126 1 2 . 1 1 26 26 ARG H H 26 8.200 8.200 7.739 0.461 17717 1127 1 2 . 1 1 27 27 ASP N N 27 121.678 121.678 118.810 2.868 17717 1128 1 2 . 1 1 27 27 ASP HA H 27 4.211 4.211 4.546 -0.335 17717 1129 1 2 . 1 1 27 27 ASP CA C 27 58.380 58.380 57.021 1.359 17717 1130 1 2 . 1 1 27 27 ASP CB C 27 40.400 40.400 41.422 -1.022 17717 1131 1 2 . 1 1 27 27 ASP H H 27 7.880 7.880 7.639 0.241 17717 1132 1 2 . 1 1 28 28 TYR N N 28 121.440 121.440 122.111 -0.671 17717 1133 1 2 . 1 1 28 28 TYR HA H 28 4.480 4.480 4.373 0.107 17717 1134 1 2 . 1 1 28 28 TYR CA C 28 57.800 57.800 59.868 -2.068 17717 1135 1 2 . 1 1 28 28 TYR CB C 28 38.322 38.322 38.620 -0.298 17717 1136 1 2 . 1 1 28 28 TYR H H 28 8.020 8.020 8.262 -0.242 17717 1137 1 2 . 1 1 29 29 VAL N N 29 123.272 123.272 118.634 4.638 17717 1138 1 2 . 1 1 29 29 VAL HA H 29 4.040 4.040 3.391 0.649 17717 1139 1 2 . 1 1 29 29 VAL CA C 29 66.400 66.400 64.896 1.504 17717 1140 1 2 . 1 1 29 29 VAL CB C 29 30.500 30.500 30.858 -0.357 17717 1141 1 2 . 1 1 29 29 VAL H H 29 8.280 8.280 8.262 0.018 17717 1142 1 2 . 1 1 30 30 SER N N 30 117.429 117.429 116.209 1.220 17717 1143 1 2 . 1 1 30 30 SER HA H 30 4.000 4.000 4.127 -0.127 17717 1144 1 2 . 1 1 30 30 SER CA C 30 61.070 61.070 61.571 -0.501 17717 1145 1 2 . 1 1 30 30 SER CB C 30 62.000 62.000 62.730 -0.730 17717 1146 1 2 . 1 1 30 30 SER H H 30 8.930 8.930 7.515 1.415 17717 1147 1 2 . 1 1 31 31 GLN N N 31 121.147 121.147 121.429 -0.282 17717 1148 1 2 . 1 1 31 31 GLN HA H 31 4.136 4.136 4.011 0.125 17717 1149 1 2 . 1 1 31 31 GLN CA C 31 58.210 58.210 58.625 -0.415 17717 1150 1 2 . 1 1 31 31 GLN CB C 31 27.600 27.600 28.377 -0.777 17717 1151 1 2 . 1 1 31 31 GLN H H 31 7.740 7.740 7.427 0.313 17717 1152 1 2 . 1 1 32 32 PHE N N 32 117.429 117.429 120.006 -2.577 17717 1153 1 2 . 1 1 32 32 PHE HA H 32 4.020 4.020 4.093 -0.073 17717 1154 1 2 . 1 1 32 32 PHE CA C 32 60.600 60.600 61.393 -0.793 17717 1155 1 2 . 1 1 32 32 PHE CB C 32 36.896 36.896 38.779 -1.883 17717 1156 1 2 . 1 1 32 32 PHE H H 32 7.200 7.200 7.656 -0.456 17717 1157 1 2 . 1 1 33 33 GLU N N 33 122.210 122.210 118.340 3.870 17717 1158 1 2 . 1 1 33 33 GLU HA H 33 4.769 4.769 3.598 1.171 17717 1159 1 2 . 1 1 33 33 GLU CA C 33 59.220 59.220 58.845 0.375 17717 1160 1 2 . 1 1 33 33 GLU CB C 33 29.240 29.240 29.045 0.195 17717 1161 1 2 . 1 1 33 33 GLU H H 33 8.160 8.160 7.817 0.343 17717 1162 1 2 . 1 1 34 34 SER N N 34 109.991 109.991 113.985 -3.994 17717 1163 1 2 . 1 1 34 34 SER HA H 34 4.309 4.309 4.268 0.041 17717 1164 1 2 . 1 1 34 34 SER CA C 34 58.240 58.240 60.897 -2.657 17717 1165 1 2 . 1 1 34 34 SER CB C 34 63.260 63.260 62.916 0.344 17717 1166 1 2 . 1 1 34 34 SER H H 34 7.890 7.890 7.755 0.135 17717 1167 1 2 . 1 1 35 35 SER N N 35 120.085 120.085 118.762 1.323 17717 1168 1 2 . 1 1 35 35 SER HA H 35 4.354 4.354 4.131 0.223 17717 1169 1 2 . 1 1 35 35 SER CA C 35 58.100 58.100 61.889 -3.789 17717 1170 1 2 . 1 1 35 35 SER CB C 35 64.398 64.398 62.900 1.498 17717 1171 1 2 . 1 1 35 35 SER H H 35 7.420 7.420 8.038 -0.618 17717 1172 1 2 . 1 1 36 36 SER N N 36 116.130 116.130 118.804 -2.674 17717 1173 1 2 . 1 1 36 36 SER HA H 36 4.350 4.350 4.091 0.259 17717 1174 1 2 . 1 1 36 36 SER CA C 36 58.600 58.600 61.941 -3.341 17717 1175 1 2 . 1 1 36 36 SER CB C 36 63.370 63.370 62.843 0.527 17717 1176 1 2 . 1 1 36 36 SER H H 36 8.100 8.100 7.604 0.496 17717 1177 1 2 . 1 1 37 37 LEU N N 37 121.678 121.678 121.450 0.228 17717 1178 1 2 . 1 1 37 37 LEU HA H 37 4.222 4.222 4.091 0.131 17717 1179 1 2 . 1 1 37 37 LEU CA C 37 56.400 56.400 57.040 -0.640 17717 1180 1 2 . 1 1 37 37 LEU CB C 37 41.200 41.200 41.833 -0.633 17717 1181 1 2 . 1 1 37 37 LEU H H 37 8.290 8.290 7.414 0.876 17717 1182 1 2 . 1 1 38 38 GLY N N 38 108.400 108.400 105.613 2.787 17717 1183 1 2 . 1 1 38 38 GLY CA C 38 46.220 46.220 46.499 -0.279 17717 1184 1 2 . 1 1 38 38 GLY H H 38 7.280 7.280 8.050 -0.770 17717 1185 1 2 . 1 1 39 39 GLN N N 39 120.920 120.920 122.753 -1.833 17717 1186 1 2 . 1 1 39 39 GLN HA H 39 4.092 4.092 3.933 0.159 17717 1187 1 2 . 1 1 39 39 GLN CA C 39 57.423 57.423 58.809 -1.386 17717 1188 1 2 . 1 1 39 39 GLN CB C 39 28.847 28.847 28.285 0.562 17717 1189 1 2 . 1 1 39 39 GLN H H 39 8.360 8.360 7.974 0.386 17717 1190 1 2 . 1 1 40 40 GLN N N 40 118.648 118.648 118.844 -0.196 17717 1191 1 2 . 1 1 40 40 GLN HA H 40 4.040 4.040 4.085 -0.045 17717 1192 1 2 . 1 1 40 40 GLN CA C 40 57.471 57.471 58.501 -1.030 17717 1193 1 2 . 1 1 40 40 GLN CB C 40 28.777 28.777 28.437 0.340 17717 1194 1 2 . 1 1 40 40 GLN H H 40 7.630 7.630 7.635 -0.005 17717 1195 1 2 . 1 1 41 41 LEU N N 41 116.800 116.800 121.875 -5.075 17717 1196 1 2 . 1 1 41 41 LEU HA H 41 4.222 4.222 3.980 0.242 17717 1197 1 2 . 1 1 41 41 LEU CA C 41 55.400 55.400 58.099 -2.699 17717 1198 1 2 . 1 1 41 41 LEU CB C 41 41.754 41.754 42.003 -0.249 17717 1199 1 2 . 1 1 41 41 LEU H H 41 8.010 8.010 7.839 0.171 17717 1200 1 2 . 1 1 42 42 ASN N N 42 115.840 115.840 117.400 -1.560 17717 1201 1 2 . 1 1 42 42 ASN HA H 42 4.485 4.485 4.396 0.089 17717 1202 1 2 . 1 1 42 42 ASN CA C 42 53.500 53.500 56.314 -2.814 17717 1203 1 2 . 1 1 42 42 ASN CB C 42 37.000 37.000 38.688 -1.688 17717 1204 1 2 . 1 1 42 42 ASN H H 42 7.840 7.840 7.892 -0.052 17717 1205 1 2 . 1 1 43 43 LEU N N 43 118.490 118.490 119.972 -1.482 17717 1206 1 2 . 1 1 43 43 LEU HA H 43 4.480 4.480 4.148 0.332 17717 1207 1 2 . 1 1 43 43 LEU CA C 43 55.502 55.502 57.605 -2.103 17717 1208 1 2 . 1 1 43 43 LEU CB C 43 41.200 41.200 41.399 -0.199 17717 1209 1 2 . 1 1 43 43 LEU H H 43 9.670 9.670 7.925 1.745 17717 1210 1 2 . 1 1 44 44 ASN N N 44 119.553 119.553 116.953 2.600 17717 1211 1 2 . 1 1 44 44 ASN HA H 44 4.520 4.520 4.486 0.034 17717 1212 1 2 . 1 1 44 44 ASN CA C 44 52.770 52.770 56.288 -3.518 17717 1213 1 2 . 1 1 44 44 ASN CB C 44 36.200 36.200 38.551 -2.351 17717 1214 1 2 . 1 1 44 44 ASN H H 44 8.950 8.950 7.940 1.010 17717 1215 1 2 . 1 1 45 45 LEU N N 45 119.553 119.553 118.280 1.273 17717 1216 1 2 . 1 1 45 45 LEU HA H 45 4.048 4.048 4.511 -0.463 17717 1217 1 2 . 1 1 45 45 LEU CA C 45 55.569 55.569 57.772 -2.203 17717 1218 1 2 . 1 1 45 45 LEU CB C 45 41.250 41.250 41.621 -0.371 17717 1219 1 2 . 1 1 45 45 LEU H H 45 8.970 8.970 7.790 1.180 17717 1220 1 2 . 1 1 46 46 LEU N N 46 116.900 116.900 119.395 -2.495 17717 1221 1 2 . 1 1 46 46 LEU HA H 46 4.351 4.351 4.365 -0.014 17717 1222 1 2 . 1 1 46 46 LEU CA C 46 54.684 54.684 57.692 -3.008 17717 1223 1 2 . 1 1 46 46 LEU CB C 46 39.800 39.800 42.450 -2.650 17717 1224 1 2 . 1 1 46 46 LEU H H 46 8.450 8.450 7.277 1.173 17717 1225 1 2 . 1 1 47 47 GLU N N 47 122.741 122.741 119.474 3.267 17717 1226 1 2 . 1 1 47 47 GLU HA H 47 4.018 4.018 3.949 0.069 17717 1227 1 2 . 1 1 47 47 GLU CA C 47 58.280 58.280 60.012 -1.732 17717 1228 1 2 . 1 1 47 47 GLU CB C 47 28.800 28.800 29.453 -0.653 17717 1229 1 2 . 1 1 47 47 GLU H H 47 7.490 7.490 8.372 -0.882 17717 1230 1 2 . 1 1 48 48 ASN N N 48 117.200 117.200 118.085 -0.885 17717 1231 1 2 . 1 1 48 48 ASN HA H 48 4.300 4.300 4.586 -0.286 17717 1232 1 2 . 1 1 48 48 ASN CA C 48 53.550 53.550 55.761 -2.211 17717 1233 1 2 . 1 1 48 48 ASN CB C 48 38.490 38.490 38.082 0.408 17717 1234 1 2 . 1 1 48 48 ASN H H 48 8.450 8.450 8.631 -0.181 17717 1235 1 2 . 1 1 49 49 TRP N N 49 119.320 119.320 121.730 -2.410 17717 1236 1 2 . 1 1 49 49 TRP HA H 49 4.300 4.300 4.420 -0.120 17717 1237 1 2 . 1 1 49 49 TRP CA C 49 56.200 56.200 60.279 -4.079 17717 1238 1 2 . 1 1 49 49 TRP CB C 49 27.800 27.800 29.402 -1.602 17717 1239 1 2 . 1 1 49 49 TRP H H 49 8.050 8.050 7.662 0.388 17717 1240 1 2 . 1 1 50 50 ASP N N 50 124.860 124.860 116.521 8.339 17717 1241 1 2 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.282 0.408 17717 1242 1 2 . 1 1 50 50 ASP CA C 50 54.180 54.180 54.880 -0.700 17717 1243 1 2 . 1 1 50 50 ASP CB C 50 40.318 40.318 42.130 -1.812 17717 1244 1 2 . 1 1 50 50 ASP H H 50 8.470 8.470 7.785 0.685 17717 1245 1 2 . 1 1 51 51 THR N N 51 114.240 114.240 113.594 0.646 17717 1246 1 2 . 1 1 51 51 THR HA H 51 4.250 4.250 4.334 -0.084 17717 1247 1 2 . 1 1 51 51 THR CA C 51 61.800 61.800 62.350 -0.550 17717 1248 1 2 . 1 1 51 51 THR CB C 51 69.000 69.000 69.857 -0.857 17717 1249 1 2 . 1 1 51 51 THR H H 51 7.920 7.920 8.094 -0.174 17717 1250 1 2 . 1 1 52 52 LEU N N 52 124.335 124.335 128.251 -3.916 17717 1251 1 2 . 1 1 52 52 LEU HA H 52 4.261 4.261 4.250 0.011 17717 1252 1 2 . 1 1 52 52 LEU CA C 52 54.800 54.800 56.440 -1.640 17717 1253 1 2 . 1 1 52 52 LEU CB C 52 41.200 41.200 42.435 -1.235 17717 1254 1 2 . 1 1 52 52 LEU H H 52 8.000 8.000 8.549 -0.549 17717 1255 1 2 . 1 1 53 53 GLY N N 53 109.991 109.991 111.891 -1.900 17717 1256 1 2 . 1 1 53 53 GLY CA C 53 44.700 44.700 44.739 -0.039 17717 1257 1 2 . 1 1 53 53 GLY H H 53 8.450 8.450 8.161 0.289 17717 1258 1 2 . 1 1 54 54 SER N N 54 113.710 113.710 116.552 -2.842 17717 1259 1 2 . 1 1 54 54 SER HA H 54 4.480 4.480 4.591 -0.111 17717 1260 1 2 . 1 1 54 54 SER CA C 54 57.300 57.300 58.794 -1.494 17717 1261 1 2 . 1 1 54 54 SER CB C 54 63.100 63.100 63.649 -0.549 17717 1262 1 2 . 1 1 54 54 SER H H 54 8.060 8.060 8.079 -0.019 17717 1263 1 2 . 1 1 55 55 THR N N 55 116.897 116.897 119.579 -2.682 17717 1264 1 2 . 1 1 55 55 THR HA H 55 4.044 4.044 4.620 -0.576 17717 1265 1 2 . 1 1 55 55 THR CA C 55 61.700 61.700 61.135 0.565 17717 1266 1 2 . 1 1 55 55 THR CB C 55 69.800 69.800 70.623 -0.823 17717 1267 1 2 . 1 1 55 55 THR H H 55 8.210 8.210 8.299 -0.089 17717 1268 1 2 . 1 1 56 56 VAL N N 56 123.300 123.300 117.049 6.251 17717 1269 1 2 . 1 1 56 56 VAL HA H 56 3.793 3.793 4.575 -0.782 17717 1270 1 2 . 1 1 56 56 VAL CA C 56 66.384 66.384 60.611 5.773 17717 1271 1 2 . 1 1 56 56 VAL CB C 56 30.268 30.268 31.654 -1.386 17717 1272 1 2 . 1 1 56 56 VAL H H 56 8.280 8.280 8.144 0.136 17717 1273 1 2 . 1 1 57 57 SER N N 57 117.429 117.429 116.900 0.529 17717 1274 1 2 . 1 1 57 57 SER HA H 57 4.136 4.136 4.219 -0.083 17717 1275 1 2 . 1 1 57 57 SER CA C 57 61.100 61.100 61.385 -0.285 17717 1276 1 2 . 1 1 57 57 SER CB C 57 62.800 62.800 63.401 -0.601 17717 1277 1 2 . 1 1 57 57 SER H H 57 7.850 7.850 8.703 -0.853 17717 1278 1 2 . 1 1 58 58 GLN N N 58 128.580 128.580 114.336 14.244 17717 1279 1 2 . 1 1 58 58 GLN HA H 58 4.260 4.260 4.304 -0.044 17717 1280 1 2 . 1 1 58 58 GLN CA C 58 56.642 56.642 57.500 -0.858 17717 1281 1 2 . 1 1 58 58 GLN CB C 58 29.023 29.023 28.837 0.187 17717 1282 1 2 . 1 1 58 58 GLN H H 58 7.990 7.990 8.236 -0.246 17717 1283 1 2 . 1 1 59 59 LEU N N 59 122.210 122.210 120.098 2.112 17717 1284 1 2 . 1 1 59 59 LEU HA H 59 4.310 4.310 3.888 0.422 17717 1285 1 2 . 1 1 59 59 LEU CA C 59 55.300 55.300 58.705 -3.405 17717 1286 1 2 . 1 1 59 59 LEU CB C 59 41.160 41.160 40.984 0.176 17717 1287 1 2 . 1 1 59 59 LEU H H 59 8.050 8.050 8.363 -0.313 17717 1288 1 2 . 1 1 60 60 GLN N N 60 120.085 120.085 118.502 1.583 17717 1289 1 2 . 1 1 60 60 GLN HA H 60 4.222 4.222 4.037 0.185 17717 1290 1 2 . 1 1 60 60 GLN CA C 60 55.960 55.960 59.259 -3.299 17717 1291 1 2 . 1 1 60 60 GLN CB C 60 27.900 27.900 28.175 -0.275 17717 1292 1 2 . 1 1 60 60 GLN H H 60 8.210 8.210 8.568 -0.358 17717 1293 1 2 . 1 1 61 61 GLU N N 61 120.920 120.920 118.876 2.044 17717 1294 1 2 . 1 1 61 61 GLU HA H 61 4.216 4.216 3.986 0.230 17717 1295 1 2 . 1 1 61 61 GLU CA C 61 56.900 56.900 59.288 -2.389 17717 1296 1 2 . 1 1 61 61 GLU CB C 61 28.500 28.500 29.399 -0.899 17717 1297 1 2 . 1 1 61 61 GLU H H 61 8.590 8.590 8.541 0.049 17717 1298 1 2 . 1 1 62 62 ARG N N 62 118.833 118.833 117.896 0.937 17717 1299 1 2 . 1 1 62 62 ARG HA H 62 4.161 4.161 4.201 -0.040 17717 1300 1 2 . 1 1 62 62 ARG CA C 62 58.030 58.030 57.865 0.165 17717 1301 1 2 . 1 1 62 62 ARG CB C 62 29.400 29.400 30.210 -0.810 17717 1302 1 2 . 1 1 62 62 ARG H H 62 7.680 7.680 8.275 -0.595 17717 1303 1 2 . 1 1 63 63 LEU N N 63 118.790 118.790 120.739 -1.949 17717 1304 1 2 . 1 1 63 63 LEU HA H 63 4.100 4.100 4.077 0.023 17717 1305 1 2 . 1 1 63 63 LEU CA C 63 56.360 56.360 57.557 -1.197 17717 1306 1 2 . 1 1 63 63 LEU CB C 63 41.130 41.130 41.349 -0.219 17717 1307 1 2 . 1 1 63 63 LEU H H 63 8.320 8.320 7.825 0.495 17717 1308 1 2 . 1 1 64 64 GLY N N 64 104.679 104.679 108.111 -3.432 17717 1309 1 2 . 1 1 64 64 GLY CA C 64 44.145 44.145 48.071 -3.926 17717 1310 1 2 . 1 1 64 64 GLY H H 64 7.220 7.220 8.325 -1.105 17717 1311 1 2 . 1 1 65 65 PRO CA C 65 62.817 62.817 64.883 -2.066 17717 1312 1 2 . 1 1 65 65 PRO CB C 65 31.290 31.290 31.414 -0.124 17717 1313 1 2 . 1 1 66 66 LEU N N 66 124.866 124.866 120.944 3.922 17717 1314 1 2 . 1 1 66 66 LEU HA H 66 4.609 4.609 4.352 0.257 17717 1315 1 2 . 1 1 66 66 LEU CA C 66 52.900 52.900 58.745 -5.845 17717 1316 1 2 . 1 1 66 66 LEU CB C 66 43.200 43.200 41.182 2.018 17717 1317 1 2 . 1 1 66 66 LEU H H 66 8.550 8.550 8.029 0.521 17717 1318 1 2 . 1 1 67 67 THR N N 67 112.116 112.116 113.098 -0.982 17717 1319 1 2 . 1 1 67 67 THR HA H 67 4.824 4.824 4.467 0.357 17717 1320 1 2 . 1 1 67 67 THR CA C 67 59.240 59.240 66.131 -6.891 17717 1321 1 2 . 1 1 67 67 THR CB C 67 71.550 71.550 68.840 2.710 17717 1322 1 2 . 1 1 67 67 THR H H 67 7.650 7.650 7.973 -0.323 17717 1323 1 2 . 1 1 68 68 ARG N N 68 120.085 120.085 120.340 -0.255 17717 1324 1 2 . 1 1 68 68 ARG HA H 68 4.230 4.230 3.971 0.259 17717 1325 1 2 . 1 1 68 68 ARG CA C 68 58.600 58.600 59.221 -0.621 17717 1326 1 2 . 1 1 68 68 ARG CB C 68 28.900 28.900 30.021 -1.121 17717 1327 1 2 . 1 1 68 68 ARG H H 68 8.950 8.950 7.583 1.367 17717 1328 1 2 . 1 1 69 69 ASP N N 69 116.366 116.366 120.095 -3.729 17717 1329 1 2 . 1 1 69 69 ASP HA H 69 4.249 4.249 4.356 -0.107 17717 1330 1 2 . 1 1 69 69 ASP CA C 69 56.100 56.100 58.483 -2.383 17717 1331 1 2 . 1 1 69 69 ASP CB C 69 39.550 39.550 40.754 -1.204 17717 1332 1 2 . 1 1 69 69 ASP H H 69 8.100 8.100 7.815 0.285 17717 1333 1 2 . 1 1 70 70 PHE N N 70 119.553 119.553 118.886 0.667 17717 1334 1 2 . 1 1 70 70 PHE HA H 70 4.090 4.090 3.932 0.158 17717 1335 1 2 . 1 1 70 70 PHE CA C 70 60.700 60.700 59.296 1.404 17717 1336 1 2 . 1 1 70 70 PHE CB C 70 38.100 38.100 37.643 0.457 17717 1337 1 2 . 1 1 70 70 PHE H H 70 7.420 7.420 7.136 0.284 17717 1338 1 2 . 1 1 71 71 TRP N N 71 120.085 120.085 122.326 -2.241 17717 1339 1 2 . 1 1 71 71 TRP HA H 71 4.044 4.044 3.273 0.771 17717 1340 1 2 . 1 1 71 71 TRP CA C 71 58.100 58.100 61.457 -3.357 17717 1341 1 2 . 1 1 71 71 TRP CB C 71 28.100 28.100 28.705 -0.605 17717 1342 1 2 . 1 1 71 71 TRP H H 71 6.950 6.950 7.083 -0.133 17717 1343 1 2 . 1 1 72 72 ASP N N 72 121.450 121.450 117.694 3.756 17717 1344 1 2 . 1 1 72 72 ASP HA H 72 4.310 4.310 3.430 0.880 17717 1345 1 2 . 1 1 72 72 ASP CA C 72 55.350 55.350 56.351 -1.001 17717 1346 1 2 . 1 1 72 72 ASP CB C 72 40.000 40.000 40.279 -0.279 17717 1347 1 2 . 1 1 72 72 ASP H H 72 8.350 8.350 7.715 0.635 17717 1348 1 2 . 1 1 73 73 ASN N N 73 117.200 117.200 118.581 -1.381 17717 1349 1 2 . 1 1 73 73 ASN HA H 73 4.220 4.220 4.358 -0.138 17717 1350 1 2 . 1 1 73 73 ASN CA C 73 54.500 54.500 56.450 -1.950 17717 1351 1 2 . 1 1 73 73 ASN CB C 73 40.000 40.000 38.813 1.187 17717 1352 1 2 . 1 1 73 73 ASN H H 73 7.700 7.700 7.683 0.017 17717 1353 1 2 . 1 1 74 74 LEU N N 74 123.600 123.600 120.036 3.564 17717 1354 1 2 . 1 1 74 74 LEU HA H 74 4.350 4.350 4.377 -0.027 17717 1355 1 2 . 1 1 74 74 LEU CA C 74 54.700 54.700 57.694 -2.994 17717 1356 1 2 . 1 1 74 74 LEU CB C 74 41.400 41.400 42.188 -0.788 17717 1357 1 2 . 1 1 74 74 LEU H H 74 8.330 8.330 8.451 -0.121 17717 1358 1 2 . 1 1 75 75 GLU N N 75 121.400 121.400 120.502 0.898 17717 1359 1 2 . 1 1 75 75 GLU HA H 75 4.000 4.000 3.789 0.211 17717 1360 1 2 . 1 1 75 75 GLU CA C 75 58.200 58.200 59.157 -0.957 17717 1361 1 2 . 1 1 75 75 GLU CB C 75 28.400 28.400 28.755 -0.355 17717 1362 1 2 . 1 1 75 75 GLU H H 75 8.600 8.600 8.226 0.374 17717 1363 1 2 . 1 1 76 76 LYS N N 76 118.000 118.000 118.715 -0.715 17717 1364 1 2 . 1 1 76 76 LYS HA H 76 4.117 4.117 4.115 0.002 17717 1365 1 2 . 1 1 76 76 LYS CA C 76 58.400 58.400 58.970 -0.570 17717 1366 1 2 . 1 1 76 76 LYS CB C 76 32.480 32.480 32.485 -0.005 17717 1367 1 2 . 1 1 76 76 LYS H H 76 7.690 7.690 7.366 0.324 17717 1368 1 2 . 1 1 77 77 GLU N N 77 115.835 115.835 119.055 -3.220 17717 1369 1 2 . 1 1 77 77 GLU HA H 77 4.310 4.310 3.992 0.318 17717 1370 1 2 . 1 1 77 77 GLU CA C 77 54.785 54.785 60.180 -5.395 17717 1371 1 2 . 1 1 77 77 GLU CB C 77 28.355 28.355 29.456 -1.101 17717 1372 1 2 . 1 1 77 77 GLU H H 77 8.290 8.290 7.787 0.503 17717 1373 1 2 . 1 1 78 78 THR N N 78 120.300 120.300 112.389 7.911 17717 1374 1 2 . 1 1 78 78 THR HA H 78 4.410 4.410 3.923 0.487 17717 1375 1 2 . 1 1 78 78 THR CA C 78 68.100 68.100 66.781 1.319 17717 1376 1 2 . 1 1 78 78 THR CB C 78 69.451 69.451 68.433 1.018 17717 1377 1 2 . 1 1 78 78 THR H H 78 7.490 7.490 8.340 -0.850 17717 1378 1 2 . 1 1 79 79 ASP N N 79 120.085 120.085 121.854 -1.769 17717 1379 1 2 . 1 1 79 79 ASP HA H 79 4.480 4.480 4.357 0.123 17717 1380 1 2 . 1 1 79 79 ASP CA C 79 57.426 57.426 57.221 0.205 17717 1381 1 2 . 1 1 79 79 ASP CB C 79 39.240 39.240 40.772 -1.532 17717 1382 1 2 . 1 1 79 79 ASP H H 79 8.880 8.880 7.756 1.124 17717 1383 1 2 . 1 1 80 80 TRP N N 80 123.803 123.803 121.977 1.826 17717 1384 1 2 . 1 1 80 80 TRP HA H 80 4.280 4.280 4.356 -0.076 17717 1385 1 2 . 1 1 80 80 TRP CA C 80 60.660 60.660 61.629 -0.969 17717 1386 1 2 . 1 1 80 80 TRP CB C 80 27.000 27.000 30.424 -3.424 17717 1387 1 2 . 1 1 80 80 TRP H H 80 7.760 7.760 7.954 -0.194 17717 1388 1 2 . 1 1 81 81 VAL N N 81 118.790 118.790 117.360 1.430 17717 1389 1 2 . 1 1 81 81 VAL HA H 81 4.280 4.280 3.868 0.412 17717 1390 1 2 . 1 1 81 81 VAL CA C 81 61.200 61.200 66.305 -5.105 17717 1391 1 2 . 1 1 81 81 VAL CB C 81 29.900 29.900 31.765 -1.865 17717 1392 1 2 . 1 1 81 81 VAL H H 81 8.160 8.160 8.938 -0.778 17717 1393 1 2 . 1 1 82 82 ARG N N 82 119.190 119.190 119.942 -0.752 17717 1394 1 2 . 1 1 82 82 ARG HA H 82 4.480 4.480 3.985 0.495 17717 1395 1 2 . 1 1 82 82 ARG CA C 82 58.400 58.400 59.429 -1.029 17717 1396 1 2 . 1 1 82 82 ARG CB C 82 29.800 29.800 30.151 -0.351 17717 1397 1 2 . 1 1 82 82 ARG H H 82 7.100 7.100 8.425 -1.325 17717 1398 1 2 . 1 1 83 83 GLN N N 83 117.960 117.960 118.400 -0.440 17717 1399 1 2 . 1 1 83 83 GLN HA H 83 4.222 4.222 3.984 0.238 17717 1400 1 2 . 1 1 83 83 GLN CA C 83 55.600 55.600 58.427 -2.827 17717 1401 1 2 . 1 1 83 83 GLN CB C 83 28.550 28.550 28.249 0.301 17717 1402 1 2 . 1 1 83 83 GLN H H 83 8.050 8.050 7.771 0.279 17717 1403 1 2 . 1 1 84 84 GLU N N 84 119.022 119.022 118.575 0.447 17717 1404 1 2 . 1 1 84 84 GLU HA H 84 4.100 4.100 3.907 0.193 17717 1405 1 2 . 1 1 84 84 GLU CA C 84 57.300 57.300 58.508 -1.208 17717 1406 1 2 . 1 1 84 84 GLU CB C 84 28.600 28.600 29.111 -0.511 17717 1407 1 2 . 1 1 84 84 GLU H H 84 7.920 7.920 8.323 -0.403 17717 1408 1 2 . 1 1 85 85 MET N N 85 117.565 117.565 120.322 -2.757 17717 1409 1 2 . 1 1 85 85 MET HA H 85 4.265 4.265 3.960 0.305 17717 1410 1 2 . 1 1 85 85 MET CA C 85 55.020 55.020 59.104 -4.084 17717 1411 1 2 . 1 1 85 85 MET CB C 85 33.000 33.000 32.117 0.883 17717 1412 1 2 . 1 1 85 85 MET H H 85 8.230 8.230 7.442 0.788 17717 1413 1 2 . 1 1 86 86 ASN N N 86 119.022 119.022 116.588 2.434 17717 1414 1 2 . 1 1 86 86 ASN HA H 86 4.570 4.570 4.520 0.050 17717 1415 1 2 . 1 1 86 86 ASN CA C 86 56.000 56.000 55.391 0.609 17717 1416 1 2 . 1 1 86 86 ASN CB C 86 37.700 37.700 38.378 -0.678 17717 1417 1 2 . 1 1 86 86 ASN H H 86 8.600 8.600 7.743 0.857 17717 1418 1 2 . 1 1 87 87 LYS N N 87 120.273 120.273 120.496 -0.223 17717 1419 1 2 . 1 1 87 87 LYS HA H 87 4.100 4.100 3.894 0.206 17717 1420 1 2 . 1 1 87 87 LYS CA C 87 59.000 59.000 59.883 -0.882 17717 1421 1 2 . 1 1 87 87 LYS CB C 87 30.900 30.900 32.162 -1.262 17717 1422 1 2 . 1 1 87 87 LYS H H 87 7.220 7.220 7.581 -0.361 17717 1423 1 2 . 1 1 88 88 ASP N N 88 121.147 121.147 118.971 2.176 17717 1424 1 2 . 1 1 88 88 ASP HA H 88 4.480 4.480 4.414 0.066 17717 1425 1 2 . 1 1 88 88 ASP CA C 88 56.840 56.840 57.178 -0.338 17717 1426 1 2 . 1 1 88 88 ASP CB C 88 39.450 39.450 40.571 -1.121 17717 1427 1 2 . 1 1 88 88 ASP H H 88 7.390 7.390 8.016 -0.626 17717 1428 1 2 . 1 1 89 89 LEU N N 89 122.741 122.741 119.471 3.270 17717 1429 1 2 . 1 1 89 89 LEU HA H 89 4.470 4.470 3.959 0.511 17717 1430 1 2 . 1 1 89 89 LEU CA C 89 57.000 57.000 58.813 -1.813 17717 1431 1 2 . 1 1 89 89 LEU CB C 89 41.000 41.000 42.206 -1.206 17717 1432 1 2 . 1 1 89 89 LEU H H 89 8.910 8.910 7.513 1.397 17717 1433 1 2 . 1 1 90 90 GLU N N 90 119.553 119.553 117.632 1.921 17717 1434 1 2 . 1 1 90 90 GLU HA H 90 4.050 4.050 4.131 -0.081 17717 1435 1 2 . 1 1 90 90 GLU CA C 90 59.100 59.100 58.487 0.613 17717 1436 1 2 . 1 1 90 90 GLU CB C 90 28.556 28.556 29.609 -1.053 17717 1437 1 2 . 1 1 90 90 GLU H H 90 8.260 8.260 7.843 0.417 17717 1438 1 2 . 1 1 91 91 GLU N N 91 119.190 119.190 120.081 -0.891 17717 1439 1 2 . 1 1 91 91 GLU HA H 91 4.136 4.136 4.149 -0.013 17717 1440 1 2 . 1 1 91 91 GLU CA C 91 58.600 58.600 59.218 -0.618 17717 1441 1 2 . 1 1 91 91 GLU CB C 91 28.600 28.600 29.928 -1.328 17717 1442 1 2 . 1 1 91 91 GLU H H 91 7.470 7.470 8.066 -0.596 17717 1443 1 2 . 1 1 92 92 VAL N N 92 122.230 122.230 115.751 6.479 17717 1444 1 2 . 1 1 92 92 VAL HA H 92 3.837 3.837 3.946 -0.109 17717 1445 1 2 . 1 1 92 92 VAL CA C 92 65.900 65.900 66.260 -0.360 17717 1446 1 2 . 1 1 92 92 VAL CB C 92 29.200 29.200 32.045 -2.845 17717 1447 1 2 . 1 1 92 92 VAL H H 92 8.420 8.420 8.262 0.158 17717 1448 1 2 . 1 1 93 93 LYS N N 93 121.300 121.300 118.226 3.074 17717 1449 1 2 . 1 1 93 93 LYS HA H 93 3.836 3.836 4.238 -0.402 17717 1450 1 2 . 1 1 93 93 LYS CA C 93 59.900 59.900 58.649 1.251 17717 1451 1 2 . 1 1 93 93 LYS CB C 93 31.277 31.277 31.976 -0.699 17717 1452 1 2 . 1 1 93 93 LYS H H 93 9.000 9.000 7.655 1.345 17717 1453 1 2 . 1 1 94 94 GLN N N 94 116.900 116.900 116.993 -0.093 17717 1454 1 2 . 1 1 94 94 GLN HA H 94 4.094 4.094 4.284 -0.190 17717 1455 1 2 . 1 1 94 94 GLN CA C 94 57.731 57.731 57.615 0.116 17717 1456 1 2 . 1 1 94 94 GLN CB C 94 27.700 27.700 28.608 -0.908 17717 1457 1 2 . 1 1 94 94 GLN H H 94 7.320 7.320 7.623 -0.303 17717 1458 1 2 . 1 1 95 95 LYS N N 95 119.190 119.190 118.813 0.377 17717 1459 1 2 . 1 1 95 95 LYS HA H 95 4.137 4.137 4.241 -0.104 17717 1460 1 2 . 1 1 95 95 LYS CA C 95 57.700 57.700 58.683 -0.983 17717 1461 1 2 . 1 1 95 95 LYS CB C 95 31.800 31.800 33.269 -1.469 17717 1462 1 2 . 1 1 95 95 LYS H H 95 7.590 7.590 7.604 -0.014 17717 1463 1 2 . 1 1 96 96 VAL N N 96 111.000 111.000 116.797 -5.797 17717 1464 1 2 . 1 1 96 96 VAL HA H 96 4.138 4.138 3.759 0.379 17717 1465 1 2 . 1 1 96 96 VAL CA C 96 61.600 61.600 65.106 -3.506 17717 1466 1 2 . 1 1 96 96 VAL CB C 96 31.500 31.500 31.430 0.070 17717 1467 1 2 . 1 1 96 96 VAL H H 96 7.960 7.960 7.650 0.310 17717 1468 1 2 . 1 1 97 97 GLN N N 97 122.210 122.210 119.894 2.316 17717 1469 1 2 . 1 1 97 97 GLN HA H 97 4.030 4.030 3.958 0.072 17717 1470 1 2 . 1 1 97 97 GLN CA C 97 59.226 59.226 58.738 0.488 17717 1471 1 2 . 1 1 97 97 GLN CB C 97 24.578 24.578 26.913 -2.335 17717 1472 1 2 . 1 1 97 97 GLN H H 97 7.380 7.380 8.309 -0.929 17717 1473 1 2 . 1 1 98 98 PRO CA C 98 65.400 65.400 63.313 2.087 17717 1474 1 2 . 1 1 98 98 PRO CB C 98 30.336 30.336 32.230 -1.894 17717 1475 1 2 . 1 1 99 99 TYR N N 99 116.900 116.900 115.804 1.096 17717 1476 1 2 . 1 1 99 99 TYR HA H 99 4.480 4.480 4.151 0.329 17717 1477 1 2 . 1 1 99 99 TYR CA C 99 58.446 58.446 58.755 -0.309 17717 1478 1 2 . 1 1 99 99 TYR CB C 99 36.344 36.344 35.912 0.432 17717 1479 1 2 . 1 1 99 99 TYR H H 99 7.100 7.100 7.817 -0.717 17717 1480 1 2 . 1 1 100 100 LEU N N 100 123.270 123.270 124.049 -0.779 17717 1481 1 2 . 1 1 100 100 LEU HA H 100 3.964 3.964 4.645 -0.681 17717 1482 1 2 . 1 1 100 100 LEU CA C 100 57.300 57.300 55.462 1.838 17717 1483 1 2 . 1 1 100 100 LEU CB C 100 40.950 40.950 43.179 -2.229 17717 1484 1 2 . 1 1 100 100 LEU H H 100 7.500 7.500 8.261 -0.761 17717 1485 1 2 . 1 1 101 101 ASP N N 101 119.500 119.500 118.811 0.689 17717 1486 1 2 . 1 1 101 101 ASP HA H 101 3.810 3.810 4.625 -0.815 17717 1487 1 2 . 1 1 101 101 ASP CA C 101 58.200 58.200 54.429 3.771 17717 1488 1 2 . 1 1 101 101 ASP CB C 101 39.100 39.100 40.161 -1.061 17717 1489 1 2 . 1 1 101 101 ASP H H 101 8.450 8.450 8.136 0.314 17717 1490 1 2 . 1 1 102 102 GLU N N 102 121.221 121.221 121.296 -0.075 17717 1491 1 2 . 1 1 102 102 GLU HA H 102 4.222 4.222 4.050 0.172 17717 1492 1 2 . 1 1 102 102 GLU CA C 102 59.200 59.200 58.861 0.340 17717 1493 1 2 . 1 1 102 102 GLU CB C 102 31.100 31.100 28.712 2.388 17717 1494 1 2 . 1 1 102 102 GLU H H 102 8.190 8.190 8.590 -0.400 17717 1495 1 2 . 1 1 103 103 PHE N N 103 124.065 124.065 120.058 4.007 17717 1496 1 2 . 1 1 103 103 PHE HA H 103 4.520 4.520 4.186 0.334 17717 1497 1 2 . 1 1 103 103 PHE CA C 103 57.183 57.183 60.294 -3.111 17717 1498 1 2 . 1 1 103 103 PHE CB C 103 38.608 38.608 37.666 0.942 17717 1499 1 2 . 1 1 103 103 PHE H H 103 8.170 8.170 7.312 0.858 17717 1500 1 2 . 1 1 104 104 GLN N N 104 123.272 123.272 118.211 5.061 17717 1501 1 2 . 1 1 104 104 GLN HA H 104 4.222 4.222 3.974 0.248 17717 1502 1 2 . 1 1 104 104 GLN CA C 104 55.460 55.460 58.440 -2.980 17717 1503 1 2 . 1 1 104 104 GLN CB C 104 29.200 29.200 28.615 0.585 17717 1504 1 2 . 1 1 104 104 GLN H H 104 8.030 8.030 8.612 -0.582 17717 1505 1 2 . 1 1 105 105 LYS N N 105 119.600 119.600 120.792 -1.192 17717 1506 1 2 . 1 1 105 105 LYS HA H 105 4.136 4.136 4.087 0.049 17717 1507 1 2 . 1 1 105 105 LYS CA C 105 57.830 57.830 58.937 -1.107 17717 1508 1 2 . 1 1 105 105 LYS CB C 105 32.220 32.220 32.185 0.035 17717 1509 1 2 . 1 1 105 105 LYS H H 105 7.800 7.800 8.080 -0.280 17717 1510 1 2 . 1 1 106 106 LYS N N 106 117.960 117.960 121.051 -3.091 17717 1511 1 2 . 1 1 106 106 LYS HA H 106 4.093 4.093 4.082 0.011 17717 1512 1 2 . 1 1 106 106 LYS CA C 106 57.860 57.860 59.428 -1.568 17717 1513 1 2 . 1 1 106 106 LYS CB C 106 32.080 32.080 31.881 0.199 17717 1514 1 2 . 1 1 106 106 LYS H H 106 7.740 7.740 7.874 -0.134 17717 1515 1 2 . 1 1 107 107 TRP N N 107 119.320 119.320 119.369 -0.049 17717 1516 1 2 . 1 1 107 107 TRP HA H 107 4.310 4.310 4.335 -0.025 17717 1517 1 2 . 1 1 107 107 TRP CA C 107 54.900 54.900 59.800 -4.900 17717 1518 1 2 . 1 1 107 107 TRP CB C 107 28.400 28.400 29.458 -1.058 17717 1519 1 2 . 1 1 107 107 TRP H H 107 8.390 8.390 7.670 0.720 17717 1520 1 2 . 1 1 108 108 LYS N N 108 120.390 120.390 119.751 0.639 17717 1521 1 2 . 1 1 108 108 LYS HA H 108 4.350 4.350 3.764 0.586 17717 1522 1 2 . 1 1 108 108 LYS CA C 108 58.170 58.170 58.064 0.106 17717 1523 1 2 . 1 1 108 108 LYS CB C 108 30.250 30.250 32.004 -1.754 17717 1524 1 2 . 1 1 108 108 LYS H H 108 7.420 7.420 7.874 -0.454 17717 1525 1 2 . 1 1 109 109 GLU N N 109 120.220 120.220 119.903 0.317 17717 1526 1 2 . 1 1 109 109 GLU HA H 109 3.922 3.922 4.017 -0.095 17717 1527 1 2 . 1 1 109 109 GLU CA C 109 58.230 58.230 59.248 -1.018 17717 1528 1 2 . 1 1 109 109 GLU CB C 109 29.230 29.230 29.564 -0.334 17717 1529 1 2 . 1 1 109 109 GLU H H 109 7.800 7.800 7.564 0.236 17717 1530 1 2 . 1 1 110 110 ASP N N 110 121.678 121.678 119.844 1.834 17717 1531 1 2 . 1 1 110 110 ASP HA H 110 4.096 4.096 4.218 -0.122 17717 1532 1 2 . 1 1 110 110 ASP CA C 110 57.514 57.514 57.236 0.278 17717 1533 1 2 . 1 1 110 110 ASP CB C 110 40.005 40.005 40.551 -0.546 17717 1534 1 2 . 1 1 110 110 ASP H H 110 8.220 8.220 8.343 -0.123 17717 1535 1 2 . 1 1 111 111 VAL N N 111 123.537 123.537 116.907 6.630 17717 1536 1 2 . 1 1 111 111 VAL CA C 111 66.380 66.380 66.092 0.288 17717 1537 1 2 . 1 1 111 111 VAL CB C 111 30.800 30.800 30.862 -0.062 17717 1538 1 2 . 1 1 111 111 VAL H H 111 9.170 9.170 7.201 1.969 17717 1539 1 2 . 1 1 112 112 GLU N N 112 120.200 120.200 120.835 -0.635 17717 1540 1 2 . 1 1 112 112 GLU HA H 112 4.179 4.179 3.987 0.192 17717 1541 1 2 . 1 1 112 112 GLU CA C 112 58.431 58.431 59.362 -0.931 17717 1542 1 2 . 1 1 112 112 GLU CB C 112 27.878 27.878 29.333 -1.455 17717 1543 1 2 . 1 1 112 112 GLU H H 112 7.540 7.540 7.518 0.022 17717 1544 1 2 . 1 1 113 113 LEU N N 113 120.815 120.815 118.737 2.078 17717 1545 1 2 . 1 1 113 113 LEU HA H 113 4.439 4.439 3.814 0.625 17717 1546 1 2 . 1 1 113 113 LEU CA C 113 53.800 53.800 57.730 -3.930 17717 1547 1 2 . 1 1 113 113 LEU CB C 113 41.060 41.060 40.767 0.293 17717 1548 1 2 . 1 1 113 113 LEU H H 113 7.900 7.900 7.365 0.535 17717 1549 1 2 . 1 1 114 114 TYR N N 114 120.920 120.920 120.051 0.869 17717 1550 1 2 . 1 1 114 114 TYR HA H 114 4.520 4.520 4.004 0.516 17717 1551 1 2 . 1 1 114 114 TYR CA C 114 56.942 56.942 61.516 -4.574 17717 1552 1 2 . 1 1 114 114 TYR CB C 114 37.834 37.834 38.513 -0.679 17717 1553 1 2 . 1 1 114 114 TYR H H 114 8.370 8.370 8.175 0.195 17717 1554 1 2 . 1 1 115 115 ARG N N 115 118.260 118.260 117.486 0.774 17717 1555 1 2 . 1 1 115 115 ARG HA H 115 4.820 4.820 3.767 1.053 17717 1556 1 2 . 1 1 115 115 ARG CA C 115 55.700 55.700 58.955 -3.255 17717 1557 1 2 . 1 1 115 115 ARG CB C 115 30.600 30.600 29.250 1.351 17717 1558 1 2 . 1 1 115 115 ARG H H 115 7.630 7.630 7.863 -0.233 17717 1559 1 2 . 1 1 116 116 GLN N N 116 116.670 116.670 117.324 -0.654 17717 1560 1 2 . 1 1 116 116 GLN HA H 116 4.480 4.480 4.042 0.438 17717 1561 1 2 . 1 1 116 116 GLN CA C 116 57.100 57.100 58.040 -0.940 17717 1562 1 2 . 1 1 116 116 GLN CB C 116 28.060 28.060 28.165 -0.105 17717 1563 1 2 . 1 1 116 116 GLN H H 116 7.980 7.980 7.292 0.688 17717 1564 1 2 . 1 1 117 117 LYS N N 117 119.200 119.200 120.043 -0.843 17717 1565 1 2 . 1 1 117 117 LYS HA H 117 4.211 4.211 3.896 0.315 17717 1566 1 2 . 1 1 117 117 LYS CA C 117 56.700 56.700 58.421 -1.721 17717 1567 1 2 . 1 1 117 117 LYS CB C 117 32.100 32.100 31.546 0.554 17717 1568 1 2 . 1 1 117 117 LYS H H 117 7.780 7.780 7.438 0.342 17717 1569 1 2 . 1 1 118 118 ALA N N 118 122.740 122.740 120.042 2.698 17717 1570 1 2 . 1 1 118 118 ALA HA H 118 4.179 4.179 3.750 0.429 17717 1571 1 2 . 1 1 118 118 ALA CA C 118 52.100 52.100 53.193 -1.093 17717 1572 1 2 . 1 1 118 118 ALA CB C 118 18.100 18.100 18.363 -0.263 17717 1573 1 2 . 1 1 118 118 ALA H H 118 8.100 8.100 7.701 0.399 17717 1574 1 2 . 1 1 119 119 SER N N 119 115.840 115.840 114.839 1.001 17717 1575 1 2 . 1 1 119 119 SER HA H 119 4.210 4.210 4.815 -0.605 17717 1576 1 2 . 1 1 119 119 SER CA C 119 55.900 55.900 54.153 1.747 17717 1577 1 2 . 1 1 119 119 SER CB C 119 62.900 62.900 63.581 -0.681 17717 1578 1 2 . 1 1 119 119 SER H H 119 7.800 7.800 7.370 0.430 17717 1579 1 2 . 1 1 120 120 PRO CA C 120 63.074 63.074 62.930 0.144 17717 1580 1 2 . 1 1 120 120 PRO CB C 120 31.408 31.408 32.055 -0.647 17717 1581 1 2 . 1 1 121 121 GLN N N 121 120.800 120.800 127.004 -6.204 17717 1582 1 2 . 1 1 121 121 GLN HA H 121 4.350 4.350 4.019 0.331 17717 1583 1 2 . 1 1 121 121 GLN CA C 121 55.800 55.800 58.941 -3.141 17717 1584 1 2 . 1 1 121 121 GLN CB C 121 28.300 28.300 27.599 0.701 17717 1585 1 2 . 1 1 121 121 GLN H H 121 8.450 8.450 8.586 -0.136 17717 1586 1 2 . 1 1 122 122 GLY N N 122 109.991 109.991 107.136 2.855 17717 1587 1 2 . 1 1 122 122 GLY CA C 122 44.500 44.500 46.271 -1.771 17717 1588 1 2 . 1 1 122 122 GLY H H 122 8.380 8.380 8.844 -0.464 17717 1589 1 2 . 1 1 123 123 ALA N N 123 124.866 124.866 125.758 -0.892 17717 1590 1 2 . 1 1 123 123 ALA HA H 123 4.280 4.280 4.335 -0.055 17717 1591 1 2 . 1 1 123 123 ALA CA C 123 52.440 52.440 54.826 -2.386 17717 1592 1 2 . 1 1 123 123 ALA CB C 123 18.530 18.530 18.879 -0.349 17717 1593 1 2 . 1 1 123 123 ALA H H 123 8.200 8.200 8.160 0.040 17717 1594 1 2 . 1 1 124 124 GLU N N 124 120.000 120.000 117.838 2.162 17717 1595 1 2 . 1 1 124 124 GLU HA H 124 4.265 4.265 4.137 0.128 17717 1596 1 2 . 1 1 124 124 GLU CA C 124 56.533 56.533 58.353 -1.820 17717 1597 1 2 . 1 1 124 124 GLU CB C 124 29.150 29.150 29.527 -0.377 17717 1598 1 2 . 1 1 124 124 GLU H H 124 8.510 8.510 7.680 0.830 17717 1599 1 2 . 1 1 125 125 LEU N N 125 122.740 122.740 122.896 -0.156 17717 1600 1 2 . 1 1 125 125 LEU HA H 125 4.222 4.222 3.993 0.229 17717 1601 1 2 . 1 1 125 125 LEU CA C 125 55.600 55.600 58.244 -2.644 17717 1602 1 2 . 1 1 125 125 LEU CB C 125 41.500 41.500 41.774 -0.274 17717 1603 1 2 . 1 1 125 125 LEU H H 125 8.110 8.110 8.554 -0.444 17717 1604 1 2 . 1 1 126 126 GLN N N 126 120.616 120.616 116.388 4.228 17717 1605 1 2 . 1 1 126 126 GLN HA H 126 4.140 4.140 3.963 0.177 17717 1606 1 2 . 1 1 126 126 GLN CA C 126 56.600 56.600 58.064 -1.464 17717 1607 1 2 . 1 1 126 126 GLN CB C 126 28.200 28.200 28.304 -0.104 17717 1608 1 2 . 1 1 126 126 GLN H H 126 8.190 8.190 7.984 0.206 17717 1609 1 2 . 1 1 127 127 GLU N N 127 121.221 121.221 119.251 1.970 17717 1610 1 2 . 1 1 127 127 GLU HA H 127 4.480 4.480 4.085 0.395 17717 1611 1 2 . 1 1 127 127 GLU CA C 127 57.800 57.800 58.928 -1.127 17717 1612 1 2 . 1 1 127 127 GLU CB C 127 28.000 28.000 29.704 -1.704 17717 1613 1 2 . 1 1 127 127 GLU H H 127 8.130 8.130 7.637 0.493 17717 1614 1 2 . 1 1 128 128 SER N N 128 117.960 117.960 116.103 1.857 17717 1615 1 2 . 1 1 128 128 SER HA H 128 4.140 4.140 4.370 -0.230 17717 1616 1 2 . 1 1 128 128 SER CA C 128 57.800 57.800 61.568 -3.768 17717 1617 1 2 . 1 1 128 128 SER CB C 128 63.860 63.860 63.258 0.602 17717 1618 1 2 . 1 1 128 128 SER H H 128 8.580 8.580 8.457 0.123 17717 1619 1 2 . 1 1 129 129 ALA N N 129 132.300 132.300 122.133 10.167 17717 1620 1 2 . 1 1 129 129 ALA CA C 129 53.505 53.505 52.849 0.656 17717 1621 1 2 . 1 1 129 129 ALA CB C 129 18.600 18.600 18.737 -0.137 17717 1622 1 2 . 1 1 129 129 ALA H H 129 7.980 7.980 7.784 0.196 17717 1623 1 2 . 1 1 130 130 ARG N N 130 119.553 119.553 115.380 4.173 17717 1624 1 2 . 1 1 130 130 ARG HA H 130 4.274 4.274 4.539 -0.265 17717 1625 1 2 . 1 1 130 130 ARG CA C 130 55.300 55.300 56.345 -1.045 17717 1626 1 2 . 1 1 130 130 ARG CB C 130 31.600 31.600 30.818 0.782 17717 1627 1 2 . 1 1 130 130 ARG H H 130 8.150 8.150 7.589 0.561 17717 1628 1 2 . 1 1 131 131 GLN N N 131 117.960 117.960 117.363 0.597 17717 1629 1 2 . 1 1 131 131 GLN HA H 131 4.350 4.350 4.326 0.024 17717 1630 1 2 . 1 1 131 131 GLN CA C 131 56.066 56.066 56.545 -0.479 17717 1631 1 2 . 1 1 131 131 GLN CB C 131 29.000 29.000 30.971 -1.972 17717 1632 1 2 . 1 1 131 131 GLN H H 131 7.880 7.880 7.642 0.238 17717 1633 1 2 . 1 1 132 132 LYS N N 132 121.357 121.357 118.486 2.871 17717 1634 1 2 . 1 1 132 132 LYS HA H 132 4.136 4.136 3.904 0.232 17717 1635 1 2 . 1 1 132 132 LYS CA C 132 56.800 56.800 57.705 -0.905 17717 1636 1 2 . 1 1 132 132 LYS CB C 132 31.100 31.100 31.669 -0.569 17717 1637 1 2 . 1 1 132 132 LYS H H 132 7.892 7.892 8.004 -0.112 17717 1638 1 2 . 1 1 133 133 LEU N N 133 120.620 120.620 117.232 3.388 17717 1639 1 2 . 1 1 133 133 LEU HA H 133 4.480 4.480 4.374 0.106 17717 1640 1 2 . 1 1 133 133 LEU CA C 133 53.900 53.900 54.321 -0.421 17717 1641 1 2 . 1 1 133 133 LEU CB C 133 41.230 41.230 45.263 -4.033 17717 1642 1 2 . 1 1 133 133 LEU H H 133 8.320 8.320 7.707 0.613 17717 1643 1 2 . 1 1 134 134 GLN N N 134 121.147 121.147 121.647 -0.500 17717 1644 1 2 . 1 1 134 134 GLN HA H 134 4.222 4.222 4.413 -0.191 17717 1645 1 2 . 1 1 134 134 GLN CA C 134 56.146 56.146 55.842 0.304 17717 1646 1 2 . 1 1 134 134 GLN CB C 134 31.813 31.813 27.794 4.019 17717 1647 1 2 . 1 1 134 134 GLN H H 134 7.870 7.870 8.427 -0.557 17717 1648 1 2 . 1 1 135 135 GLU N N 135 121.678 121.678 122.423 -0.745 17717 1649 1 2 . 1 1 135 135 GLU HA H 135 4.136 4.136 4.364 -0.228 17717 1650 1 2 . 1 1 135 135 GLU CA C 135 55.904 55.904 55.868 0.036 17717 1651 1 2 . 1 1 135 135 GLU CB C 135 28.953 28.953 30.014 -1.061 17717 1652 1 2 . 1 1 135 135 GLU H H 135 7.892 7.892 8.096 -0.204 17717 1653 1 2 . 1 1 136 136 LEU N N 136 121.357 121.357 120.121 1.236 17717 1654 1 2 . 1 1 136 136 LEU HA H 136 4.351 4.351 4.204 0.147 17717 1655 1 2 . 1 1 136 136 LEU CA C 136 54.765 54.765 56.964 -2.199 17717 1656 1 2 . 1 1 136 136 LEU CB C 136 41.823 41.823 41.870 -0.047 17717 1657 1 2 . 1 1 136 136 LEU H H 136 7.962 7.962 8.303 -0.341 17717 1658 1 2 . 1 1 137 137 GLN N N 137 124.866 124.866 117.664 7.202 17717 1659 1 2 . 1 1 137 137 GLN HA H 137 4.222 4.222 4.355 -0.133 17717 1660 1 2 . 1 1 137 137 GLN CA C 137 56.300 56.300 55.733 0.567 17717 1661 1 2 . 1 1 137 137 GLN CB C 137 28.000 28.000 30.209 -2.208 17717 1662 1 2 . 1 1 137 137 GLN H H 137 7.938 7.938 8.156 -0.218 17717 1663 1 2 . 1 1 138 138 GLY N N 138 111.054 111.054 110.878 0.176 17717 1664 1 2 . 1 1 138 138 GLY CA C 138 44.800 44.800 44.976 -0.176 17717 1665 1 2 . 1 1 138 138 GLY H H 138 8.410 8.410 8.226 0.184 17717 1666 1 2 . 1 1 139 139 ARG N N 139 116.366 116.366 122.884 -6.518 17717 1667 1 2 . 1 1 139 139 ARG HA H 139 4.230 4.230 4.409 -0.179 17717 1668 1 2 . 1 1 139 139 ARG CA C 139 56.300 56.300 56.082 0.218 17717 1669 1 2 . 1 1 139 139 ARG CB C 139 28.700 28.700 30.755 -2.055 17717 1670 1 2 . 1 1 139 139 ARG H H 139 8.080 8.080 8.276 -0.196 17717 1671 1 2 . 1 1 140 140 LEU N N 140 126.460 126.460 124.002 2.458 17717 1672 1 2 . 1 1 140 140 LEU HA H 140 4.220 4.220 4.453 -0.233 17717 1673 1 2 . 1 1 140 140 LEU CA C 140 56.500 56.500 55.050 1.450 17717 1674 1 2 . 1 1 140 140 LEU CB C 140 41.496 41.496 41.089 0.407 17717 1675 1 2 . 1 1 140 140 LEU H H 140 7.740 7.740 8.421 -0.681 17717 1676 1 2 . 1 1 141 141 SER N N 141 119.190 119.190 113.908 5.282 17717 1677 1 2 . 1 1 141 141 SER HA H 141 4.390 4.390 4.563 -0.173 17717 1678 1 2 . 1 1 141 141 SER CA C 141 56.384 56.384 57.681 -1.297 17717 1679 1 2 . 1 1 141 141 SER CB C 141 62.996 62.996 64.711 -1.715 17717 1680 1 2 . 1 1 141 141 SER H H 141 8.430 8.430 7.742 0.688 17717 1681 1 2 . 1 1 142 142 PRO CA C 142 64.840 64.840 64.897 -0.057 17717 1682 1 2 . 1 1 142 142 PRO CB C 142 31.345 31.345 32.022 -0.677 17717 1683 1 2 . 1 1 143 143 VAL N N 143 116.900 116.900 115.363 1.537 17717 1684 1 2 . 1 1 143 143 VAL HA H 143 4.100 4.100 4.065 0.035 17717 1685 1 2 . 1 1 143 143 VAL CA C 143 63.800 63.800 63.731 0.069 17717 1686 1 2 . 1 1 143 143 VAL CB C 143 31.400 31.400 30.421 0.979 17717 1687 1 2 . 1 1 143 143 VAL H H 143 7.780 7.780 7.847 -0.067 17717 1688 1 2 . 1 1 144 144 ALA N N 144 125.700 125.700 122.060 3.640 17717 1689 1 2 . 1 1 144 144 ALA HA H 144 4.390 4.390 3.829 0.561 17717 1690 1 2 . 1 1 144 144 ALA CA C 144 54.200 54.200 55.085 -0.885 17717 1691 1 2 . 1 1 144 144 ALA CB C 144 18.361 18.361 18.223 0.139 17717 1692 1 2 . 1 1 144 144 ALA H H 144 7.970 7.970 7.680 0.290 17717 1693 1 2 . 1 1 145 145 GLU N N 145 120.000 120.000 118.980 1.020 17717 1694 1 2 . 1 1 145 145 GLU HA H 145 3.920 3.920 3.959 -0.039 17717 1695 1 2 . 1 1 145 145 GLU CA C 145 59.400 59.400 59.880 -0.480 17717 1696 1 2 . 1 1 145 145 GLU CB C 145 28.400 28.400 28.992 -0.592 17717 1697 1 2 . 1 1 145 145 GLU H H 145 8.600 8.600 7.851 0.749 17717 1698 1 2 . 1 1 146 146 GLU N N 146 119.022 119.022 118.808 0.214 17717 1699 1 2 . 1 1 146 146 GLU HA H 146 4.050 4.050 4.117 -0.067 17717 1700 1 2 . 1 1 146 146 GLU CA C 146 58.422 58.422 58.677 -0.255 17717 1701 1 2 . 1 1 146 146 GLU CB C 146 28.172 28.172 28.842 -0.670 17717 1702 1 2 . 1 1 146 146 GLU H H 146 8.070 8.070 8.516 -0.446 17717 1703 1 2 . 1 1 147 147 PHE N N 147 117.023 117.023 119.558 -2.535 17717 1704 1 2 . 1 1 147 147 PHE HA H 147 4.523 4.523 4.198 0.325 17717 1705 1 2 . 1 1 147 147 PHE CA C 147 58.592 58.592 61.490 -2.898 17717 1706 1 2 . 1 1 147 147 PHE CB C 147 40.344 40.344 38.405 1.939 17717 1707 1 2 . 1 1 147 147 PHE H H 147 8.161 8.161 8.111 0.050 17717 1708 1 2 . 1 1 148 148 ARG N N 148 120.085 120.085 119.554 0.531 17717 1709 1 2 . 1 1 148 148 ARG HA H 148 4.136 4.136 3.846 0.290 17717 1710 1 2 . 1 1 148 148 ARG CA C 148 57.700 57.700 59.894 -2.194 17717 1711 1 2 . 1 1 148 148 ARG CB C 148 30.400 30.400 29.967 0.433 17717 1712 1 2 . 1 1 148 148 ARG H H 148 8.325 8.325 8.672 -0.347 17717 1713 1 2 . 1 1 149 149 ASP N N 149 118.530 118.530 119.236 -0.706 17717 1714 1 2 . 1 1 149 149 ASP HA H 149 4.310 4.310 4.469 -0.159 17717 1715 1 2 . 1 1 149 149 ASP CA C 149 54.600 54.600 57.303 -2.703 17717 1716 1 2 . 1 1 149 149 ASP CB C 149 41.000 41.000 40.875 0.125 17717 1717 1 2 . 1 1 149 149 ASP H H 149 8.270 8.270 8.439 -0.169 17717 1718 1 2 . 1 1 150 150 ARG N N 150 126.460 126.460 120.221 6.239 17717 1719 1 2 . 1 1 150 150 ARG HA H 150 4.180 4.180 4.287 -0.107 17717 1720 1 2 . 1 1 150 150 ARG CA C 150 56.850 56.850 57.855 -1.005 17717 1721 1 2 . 1 1 150 150 ARG CB C 150 30.451 30.451 29.791 0.660 17717 1722 1 2 . 1 1 150 150 ARG H H 150 7.860 7.860 8.261 -0.401 17717 1723 1 2 . 1 1 152 152 ARG CA C 152 55.764 55.764 59.983 -4.219 17717 1724 1 2 . 1 1 152 152 ARG CB C 152 30.014 30.014 30.481 -0.467 17717 1725 1 2 . 1 1 153 153 THR N N 153 115.832 115.832 112.406 3.426 17717 1726 1 2 . 1 1 153 153 THR HA H 153 4.350 4.350 3.954 0.396 17717 1727 1 2 . 1 1 153 153 THR CA C 153 61.200 61.200 66.731 -5.531 17717 1728 1 2 . 1 1 153 153 THR CB C 153 69.400 69.400 68.482 0.918 17717 1729 1 2 . 1 1 153 153 THR H H 153 8.170 8.170 8.383 -0.213 17717 1730 1 2 . 1 1 154 154 HIS N N 154 129.120 129.120 123.062 6.058 17717 1731 1 2 . 1 1 154 154 HIS HA H 154 4.650 4.650 4.131 0.519 17717 1732 1 2 . 1 1 154 154 HIS CA C 154 56.800 56.800 60.014 -3.214 17717 1733 1 2 . 1 1 154 154 HIS CB C 154 30.400 30.400 29.745 0.655 17717 1734 1 2 . 1 1 154 154 HIS H H 154 7.950 7.950 7.804 0.146 17717 1735 1 2 . 1 1 155 155 VAL N N 155 120.620 120.620 117.966 2.654 17717 1736 1 2 . 1 1 155 155 VAL HA H 155 4.012 4.012 3.588 0.424 17717 1737 1 2 . 1 1 155 155 VAL CA C 155 62.300 62.300 65.985 -3.685 17717 1738 1 2 . 1 1 155 155 VAL CB C 155 31.600 31.600 30.551 1.049 17717 1739 1 2 . 1 1 155 155 VAL H H 155 7.910 7.910 7.564 0.346 17717 1740 1 2 . 1 1 156 156 ASP N N 156 121.147 121.147 120.943 0.204 17717 1741 1 2 . 1 1 156 156 ASP HA H 156 4.440 4.440 4.331 0.109 17717 1742 1 2 . 1 1 156 156 ASP CA C 156 57.384 57.384 57.354 0.030 17717 1743 1 2 . 1 1 156 156 ASP CB C 156 40.140 40.140 40.725 -0.585 17717 1744 1 2 . 1 1 156 156 ASP H H 156 8.100 8.100 8.358 -0.258 17717 1745 1 2 . 1 1 157 157 SER N N 157 116.366 116.366 116.281 0.085 17717 1746 1 2 . 1 1 157 157 SER HA H 157 4.220 4.220 4.096 0.124 17717 1747 1 2 . 1 1 157 157 SER CA C 157 61.500 61.500 61.801 -0.301 17717 1748 1 2 . 1 1 157 157 SER CB C 157 62.500 62.500 63.237 -0.737 17717 1749 1 2 . 1 1 157 157 SER H H 157 8.700 8.700 7.913 0.787 17717 1750 1 2 . 1 1 158 158 LEU N N 158 123.272 123.272 123.494 -0.222 17717 1751 1 2 . 1 1 158 158 LEU HA H 158 4.520 4.520 4.189 0.331 17717 1752 1 2 . 1 1 158 158 LEU CA C 158 57.140 57.140 58.029 -0.889 17717 1753 1 2 . 1 1 158 158 LEU CB C 158 40.900 40.900 41.644 -0.744 17717 1754 1 2 . 1 1 158 158 LEU H H 158 7.790 7.790 8.070 -0.280 17717 1755 1 2 . 1 1 159 159 ARG N N 159 119.553 119.553 116.527 3.026 17717 1756 1 2 . 1 1 159 159 ARG HA H 159 4.530 4.530 4.111 0.419 17717 1757 1 2 . 1 1 159 159 ARG CA C 159 56.800 56.800 58.931 -2.131 17717 1758 1 2 . 1 1 159 159 ARG CB C 159 29.000 29.000 30.189 -1.189 17717 1759 1 2 . 1 1 159 159 ARG H H 159 8.650 8.650 8.057 0.593 17717 1760 1 2 . 1 1 160 160 THR N N 160 115.304 115.304 116.374 -1.070 17717 1761 1 2 . 1 1 160 160 THR HA H 160 3.880 3.880 4.153 -0.273 17717 1762 1 2 . 1 1 160 160 THR CA C 160 65.300 65.300 65.924 -0.624 17717 1763 1 2 . 1 1 160 160 THR CB C 160 68.900 68.900 68.617 0.283 17717 1764 1 2 . 1 1 160 160 THR H H 160 8.100 8.100 7.946 0.154 17717 1765 1 2 . 1 1 161 161 GLN N N 161 122.440 122.440 118.693 3.747 17717 1766 1 2 . 1 1 161 161 GLN HA H 161 4.220 4.220 4.370 -0.150 17717 1767 1 2 . 1 1 161 161 GLN CA C 161 56.900 56.900 58.981 -2.081 17717 1768 1 2 . 1 1 161 161 GLN CB C 161 26.160 26.160 29.168 -3.008 17717 1769 1 2 . 1 1 161 161 GLN H H 161 8.070 8.070 7.955 0.115 17717 1770 1 2 . 1 1 162 162 LEU N N 162 115.398 115.398 120.536 -5.138 17717 1771 1 2 . 1 1 162 162 LEU HA H 162 4.220 4.220 4.411 -0.191 17717 1772 1 2 . 1 1 162 162 LEU CA C 162 56.500 56.500 56.435 0.065 17717 1773 1 2 . 1 1 162 162 LEU CB C 162 41.000 41.000 41.012 -0.012 17717 1774 1 2 . 1 1 162 162 LEU H H 162 7.980 7.980 7.781 0.199 17717 1775 1 2 . 1 1 163 163 ALA N N 163 122.210 122.210 123.379 -1.169 17717 1776 1 2 . 1 1 163 163 ALA HA H 163 4.260 4.260 4.073 0.187 17717 1777 1 2 . 1 1 163 163 ALA CA C 163 56.560 56.560 57.169 -0.609 17717 1778 1 2 . 1 1 163 163 ALA CB C 163 15.000 15.000 16.049 -1.049 17717 1779 1 2 . 1 1 163 163 ALA H H 163 7.460 7.460 8.366 -0.906 17717 1780 1 2 . 1 1 164 164 PRO CA C 164 62.800 62.800 65.605 -2.805 17717 1781 1 2 . 1 1 164 164 PRO CB C 164 31.500 31.500 31.299 0.201 17717 1782 1 2 . 1 1 165 165 HIS N N 165 120.080 120.080 116.726 3.354 17717 1783 1 2 . 1 1 165 165 HIS HA H 165 4.390 4.390 4.224 0.166 17717 1784 1 2 . 1 1 165 165 HIS CA C 165 56.000 56.000 60.552 -4.552 17717 1785 1 2 . 1 1 165 165 HIS CB C 165 28.400 28.400 29.510 -1.110 17717 1786 1 2 . 1 1 165 165 HIS H H 165 8.060 8.060 7.878 0.182 17717 1787 1 2 . 1 1 166 166 SER N N 166 116.366 116.366 115.040 1.326 17717 1788 1 2 . 1 1 166 166 SER HA H 166 4.300 4.300 4.121 0.179 17717 1789 1 2 . 1 1 166 166 SER CA C 166 61.200 61.200 62.452 -1.252 17717 1790 1 2 . 1 1 166 166 SER CB C 166 63.000 63.000 62.910 0.090 17717 1791 1 2 . 1 1 166 166 SER H H 166 8.040 8.040 8.541 -0.501 17717 1792 1 2 . 1 1 167 167 GLU N N 167 121.678 121.678 121.352 0.326 17717 1793 1 2 . 1 1 167 167 GLU HA H 167 3.922 3.922 4.127 -0.205 17717 1794 1 2 . 1 1 167 167 GLU CA C 167 62.800 62.800 59.411 3.389 17717 1795 1 2 . 1 1 167 167 GLU CB C 167 31.100 31.100 29.444 1.657 17717 1796 1 2 . 1 1 167 167 GLU H H 167 7.760 7.760 7.858 -0.098 17717 1797 1 2 . 1 1 168 168 GLN N N 168 121.147 121.147 119.422 1.725 17717 1798 1 2 . 1 1 168 168 GLN HA H 168 4.320 4.320 4.113 0.207 17717 1799 1 2 . 1 1 168 168 GLN CA C 168 55.300 55.300 58.972 -3.672 17717 1800 1 2 . 1 1 168 168 GLN CB C 168 28.200 28.200 28.743 -0.543 17717 1801 1 2 . 1 1 168 168 GLN H H 168 8.450 8.450 8.497 -0.047 17717 1802 1 2 . 1 1 170 170 ARG CA C 170 58.370 58.370 59.320 -0.950 17717 1803 1 2 . 1 1 170 170 ARG CB C 170 28.900 28.900 29.989 -1.089 17717 1804 1 2 . 1 1 171 171 GLU N N 171 117.960 117.960 119.776 -1.816 17717 1805 1 2 . 1 1 171 171 GLU HA H 171 4.140 4.140 4.232 -0.092 17717 1806 1 2 . 1 1 171 171 GLU CA C 171 57.300 57.300 58.763 -1.463 17717 1807 1 2 . 1 1 171 171 GLU CB C 171 29.200 29.200 29.918 -0.718 17717 1808 1 2 . 1 1 171 171 GLU H H 171 7.730 7.730 7.628 0.102 17717 1809 1 2 . 1 1 172 172 SER N N 172 116.366 116.366 116.402 -0.036 17717 1810 1 2 . 1 1 172 172 SER HA H 172 4.270 4.270 4.195 0.075 17717 1811 1 2 . 1 1 172 172 SER CA C 172 58.000 58.000 61.861 -3.861 17717 1812 1 2 . 1 1 172 172 SER CB C 172 63.000 63.000 63.062 -0.062 17717 1813 1 2 . 1 1 172 172 SER H H 172 8.320 8.320 8.661 -0.341 17717 1814 1 2 . 1 1 173 173 LEU N N 173 124.866 124.866 122.227 2.639 17717 1815 1 2 . 1 1 173 173 LEU HA H 173 4.352 4.352 4.067 0.285 17717 1816 1 2 . 1 1 173 173 LEU CA C 173 54.540 54.540 57.478 -2.938 17717 1817 1 2 . 1 1 173 173 LEU CB C 173 41.400 41.400 41.498 -0.098 17717 1818 1 2 . 1 1 173 173 LEU H H 173 8.260 8.260 7.780 0.480 17717 1819 1 2 . 1 1 174 174 ALA N N 174 126.460 126.460 120.931 5.529 17717 1820 1 2 . 1 1 174 174 ALA HA H 174 4.270 4.270 3.783 0.487 17717 1821 1 2 . 1 1 174 174 ALA CA C 174 55.400 55.400 54.790 0.610 17717 1822 1 2 . 1 1 174 174 ALA CB C 174 17.200 17.200 18.017 -0.817 17717 1823 1 2 . 1 1 174 174 ALA H H 174 8.210 8.210 7.433 0.777 17717 1824 1 2 . 1 1 175 175 GLN N N 175 117.430 117.430 118.636 -1.206 17717 1825 1 2 . 1 1 175 175 GLN HA H 175 4.060 4.060 4.024 0.036 17717 1826 1 2 . 1 1 175 175 GLN CA C 175 58.600 58.600 57.792 0.808 17717 1827 1 2 . 1 1 175 175 GLN CB C 175 27.400 27.400 28.379 -0.979 17717 1828 1 2 . 1 1 175 175 GLN H H 175 8.450 8.450 7.993 0.457 17717 1829 1 2 . 1 1 176 176 ARG N N 176 119.550 119.550 120.777 -1.227 17717 1830 1 2 . 1 1 176 176 ARG HA H 176 4.180 4.180 3.924 0.256 17717 1831 1 2 . 1 1 176 176 ARG CA C 176 56.900 56.900 59.663 -2.763 17717 1832 1 2 . 1 1 176 176 ARG CB C 176 29.300 29.300 30.120 -0.820 17717 1833 1 2 . 1 1 176 176 ARG H H 176 8.070 8.070 8.274 -0.204 17717 1834 1 2 . 1 1 177 177 LEU N N 177 115.840 115.840 116.336 -0.496 17717 1835 1 2 . 1 1 177 177 LEU HA H 177 4.180 4.180 3.888 0.292 17717 1836 1 2 . 1 1 177 177 LEU CA C 177 56.900 56.900 57.922 -1.022 17717 1837 1 2 . 1 1 177 177 LEU CB C 177 40.100 40.100 40.781 -0.681 17717 1838 1 2 . 1 1 177 177 LEU H H 177 8.330 8.330 7.455 0.875 17717 1839 1 2 . 1 1 178 178 ALA N N 178 121.220 121.220 121.298 -0.078 17717 1840 1 2 . 1 1 178 178 ALA HA H 178 3.880 3.880 3.932 -0.052 17717 1841 1 2 . 1 1 178 178 ALA CA C 178 54.600 54.600 54.653 -0.053 17717 1842 1 2 . 1 1 178 178 ALA CB C 178 16.900 16.900 18.024 -1.124 17717 1843 1 2 . 1 1 178 178 ALA H H 178 8.570 8.570 7.483 1.087 17717 1844 1 2 . 1 1 179 179 GLU N N 179 118.490 118.490 120.508 -2.018 17717 1845 1 2 . 1 1 179 179 GLU HA H 179 4.180 4.180 4.024 0.156 17717 1846 1 2 . 1 1 179 179 GLU CA C 179 56.600 56.600 59.217 -2.617 17717 1847 1 2 . 1 1 179 179 GLU CB C 179 29.000 29.000 29.814 -0.814 17717 1848 1 2 . 1 1 179 179 GLU H H 179 7.680 7.680 8.065 -0.385 17717 1849 1 2 . 1 1 180 180 LEU N N 180 117.730 117.730 117.846 -0.116 17717 1850 1 2 . 1 1 180 180 LEU HA H 180 4.265 4.265 4.094 0.171 17717 1851 1 2 . 1 1 180 180 LEU CA C 180 55.020 55.020 57.673 -2.653 17717 1852 1 2 . 1 1 180 180 LEU CB C 180 41.100 41.100 41.743 -0.643 17717 1853 1 2 . 1 1 180 180 LEU H H 180 7.680 7.680 7.564 0.116 17717 1854 1 2 . 1 1 181 181 LYS N N 181 117.400 117.400 119.258 -1.858 17717 1855 1 2 . 1 1 181 181 LYS HA H 181 4.480 4.480 3.896 0.584 17717 1856 1 2 . 1 1 181 181 LYS CA C 181 61.900 61.900 58.577 3.323 17717 1857 1 2 . 1 1 181 181 LYS CB C 181 31.800 31.800 32.610 -0.810 17717 1858 1 2 . 1 1 181 181 LYS H H 181 7.510 7.510 7.819 -0.309 17717 1859 1 2 . 1 1 182 182 SER N N 182 114.010 114.010 112.486 1.524 17717 1860 1 2 . 1 1 182 182 SER HA H 182 4.350 4.350 4.262 0.088 17717 1861 1 2 . 1 1 182 182 SER CA C 182 58.000 58.000 59.711 -1.711 17717 1862 1 2 . 1 1 182 182 SER CB C 182 63.300 63.300 64.049 -0.749 17717 1863 1 2 . 1 1 182 182 SER H H 182 7.920 7.920 7.895 0.025 17717 1864 1 2 . 1 1 183 183 ASN N N 183 123.040 123.040 119.500 3.540 17717 1865 1 2 . 1 1 183 183 ASN HA H 183 4.310 4.310 4.623 -0.313 17717 1866 1 2 . 1 1 183 183 ASN CA C 183 55.115 55.115 53.091 2.024 17717 1867 1 2 . 1 1 183 183 ASN CB C 183 37.838 37.838 38.222 -0.384 17717 1868 1 2 . 1 1 183 183 ASN H H 183 8.250 8.250 7.894 0.356 17717 1869 1 2 . 1 1 184 184 PRO CA C 184 63.180 63.180 64.486 -1.306 17717 1870 1 2 . 1 1 184 184 PRO CB C 184 31.400 31.400 32.346 -0.946 17717 1871 1 2 . 1 1 185 185 THR N N 185 114.240 114.240 110.502 3.738 17717 1872 1 2 . 1 1 185 185 THR HA H 185 4.270 4.270 4.420 -0.149 17717 1873 1 2 . 1 1 185 185 THR CA C 185 61.200 61.200 61.104 0.096 17717 1874 1 2 . 1 1 185 185 THR CB C 185 69.100 69.100 70.520 -1.420 17717 1875 1 2 . 1 1 185 185 THR H H 185 8.150 8.150 7.697 0.453 17717 1876 1 2 . 1 1 186 186 LEU N N 186 123.270 123.270 123.526 -0.256 17717 1877 1 2 . 1 1 186 186 LEU HA H 186 4.350 4.350 4.526 -0.176 17717 1878 1 2 . 1 1 186 186 LEU CA C 186 55.000 55.000 54.875 0.125 17717 1879 1 2 . 1 1 186 186 LEU CB C 186 41.000 41.000 43.131 -2.131 17717 1880 1 2 . 1 1 186 186 LEU H H 186 8.430 8.430 8.558 -0.128 17717 1881 1 2 . 1 1 187 187 ASN N N 187 119.020 119.020 124.536 -5.516 17717 1882 1 2 . 1 1 187 187 ASN HA H 187 4.530 4.530 4.717 -0.187 17717 1883 1 2 . 1 1 187 187 ASN CA C 187 53.400 53.400 52.803 0.597 17717 1884 1 2 . 1 1 187 187 ASN CB C 187 37.900 37.900 37.878 0.022 17717 1885 1 2 . 1 1 187 187 ASN H H 187 8.370 8.370 8.787 -0.417 17717 1886 1 2 . 1 1 188 188 GLU N N 188 123.270 123.270 121.759 1.511 17717 1887 1 2 . 1 1 188 188 GLU HA H 188 4.000 4.000 4.148 -0.148 17717 1888 1 2 . 1 1 188 188 GLU CA C 188 61.700 61.700 57.034 4.666 17717 1889 1 2 . 1 1 188 188 GLU CB C 188 32.100 32.100 28.151 3.950 17717 1890 1 2 . 1 1 188 188 GLU H H 188 7.870 7.870 7.929 -0.059 17717 1891 1 2 . 1 1 189 189 TYR N N 189 122.210 122.210 124.705 -2.495 17717 1892 1 2 . 1 1 189 189 TYR HA H 189 4.440 4.440 4.648 -0.208 17717 1893 1 2 . 1 1 189 189 TYR CA C 189 57.120 57.120 58.102 -0.982 17717 1894 1 2 . 1 1 189 189 TYR CB C 189 40.000 40.000 41.809 -1.809 17717 1895 1 2 . 1 1 189 189 TYR H H 189 8.590 8.590 7.989 0.601 17717 1896 1 2 . 1 1 190 190 HIS N N 190 124.866 124.866 128.053 -3.187 17717 1897 1 2 . 1 1 190 190 HIS HA H 190 4.780 4.780 4.646 0.134 17717 1898 1 2 . 1 1 190 190 HIS CA C 190 56.000 56.000 54.370 1.630 17717 1899 1 2 . 1 1 190 190 HIS CB C 190 29.400 29.400 28.029 1.371 17717 1900 1 2 . 1 1 190 190 HIS H H 190 8.420 8.420 8.303 0.117 17717 1901 1 2 . 1 1 191 191 SER N N 191 117.429 117.429 118.889 -1.460 17717 1902 1 2 . 1 1 191 191 SER HA H 191 4.140 4.140 4.468 -0.328 17717 1903 1 2 . 1 1 191 191 SER CA C 191 58.140 58.140 59.930 -1.790 17717 1904 1 2 . 1 1 191 191 SER CB C 191 63.140 63.140 63.576 -0.436 17717 1905 1 2 . 1 1 191 191 SER H H 191 8.270 8.270 8.384 -0.114 17717 1906 1 2 . 1 1 192 192 SER N N 192 124.335 124.335 123.059 1.276 17717 1907 1 2 . 1 1 192 192 SER HA H 192 4.730 4.730 4.449 0.281 17717 1908 1 2 . 1 1 192 192 SER CA C 192 59.020 59.020 59.136 -0.116 17717 1909 1 2 . 1 1 192 192 SER CB C 192 63.000 63.000 63.690 -0.690 17717 1910 1 2 . 1 1 192 192 SER H H 192 8.010 8.010 8.674 -0.664 17717 1911 1 2 . 1 1 193 193 ALA N N 193 125.930 125.930 124.963 0.967 17717 1912 1 2 . 1 1 193 193 ALA HA H 193 4.310 4.310 4.215 0.095 17717 1913 1 2 . 1 1 193 193 ALA CA C 193 52.300 52.300 52.340 -0.040 17717 1914 1 2 . 1 1 193 193 ALA CB C 193 18.000 18.000 18.875 -0.875 17717 1915 1 2 . 1 1 193 193 ALA H H 193 8.100 8.100 7.875 0.225 17717 1916 1 2 . 1 1 194 194 LYS N N 194 126.460 126.460 120.751 5.709 17717 1917 1 2 . 1 1 194 194 LYS HA H 194 4.220 4.220 4.484 -0.264 17717 1918 1 2 . 1 1 194 194 LYS CA C 194 56.600 56.600 56.475 0.125 17717 1919 1 2 . 1 1 194 194 LYS CB C 194 33.000 33.000 33.446 -0.446 17717 1920 1 2 . 1 1 194 194 LYS H H 194 7.860 7.860 8.677 -0.817 17717 1921 1 2 . 1 1 195 195 SER N N 195 117.429 117.429 117.353 0.076 17717 1922 1 2 . 1 1 195 195 SER HA H 195 4.430 4.430 4.849 -0.419 17717 1923 1 2 . 1 1 195 195 SER CA C 195 58.499 58.499 57.475 1.024 17717 1924 1 2 . 1 1 195 195 SER CB C 195 63.129 63.129 62.183 0.946 17717 1925 1 2 . 1 1 195 195 SER H H 195 8.240 8.240 8.493 -0.253 17717 1926 1 2 . 1 1 196 196 HIS N N 196 122.440 122.440 123.919 -1.479 17717 1927 1 2 . 1 1 196 196 HIS HA H 196 4.222 4.222 4.364 -0.142 17717 1928 1 2 . 1 1 196 196 HIS CA C 196 55.743 55.743 58.133 -2.390 17717 1929 1 2 . 1 1 196 196 HIS CB C 196 28.566 28.566 30.476 -1.909 17717 1930 1 2 . 1 1 196 196 HIS H H 196 8.044 8.044 8.598 -0.554 17717 1931 1 2 . 1 1 197 197 LEU N N 197 117.429 117.429 120.838 -3.409 17717 1932 1 2 . 1 1 197 197 LEU HA H 197 4.179 4.179 4.045 0.134 17717 1933 1 2 . 1 1 197 197 LEU CA C 197 54.540 54.540 58.551 -4.011 17717 1934 1 2 . 1 1 197 197 LEU CB C 197 40.040 40.040 41.623 -1.583 17717 1935 1 2 . 1 1 197 197 LEU H H 197 8.044 8.044 8.385 -0.341 17717 1936 1 2 . 1 1 198 198 LYS N N 198 117.430 117.430 118.492 -1.062 17717 1937 1 2 . 1 1 198 198 LYS HA H 198 4.140 4.140 4.098 0.042 17717 1938 1 2 . 1 1 198 198 LYS CA C 198 57.600 57.600 59.398 -1.798 17717 1939 1 2 . 1 1 198 198 LYS CB C 198 32.000 32.000 31.648 0.352 17717 1940 1 2 . 1 1 198 198 LYS H H 198 7.510 7.510 8.217 -0.707 17717 1941 1 2 . 1 1 199 199 SER N N 199 114.315 114.315 115.540 -1.225 17717 1942 1 2 . 1 1 199 199 SER HA H 199 4.310 4.310 4.142 0.168 17717 1943 1 2 . 1 1 199 199 SER CA C 199 62.000 62.000 60.928 1.072 17717 1944 1 2 . 1 1 199 199 SER CB C 199 63.600 63.600 62.827 0.773 17717 1945 1 2 . 1 1 199 199 SER H H 199 7.930 7.930 7.668 0.262 17717 1946 1 2 . 1 1 200 200 LEU N N 200 124.335 124.335 122.559 1.776 17717 1947 1 2 . 1 1 200 200 LEU HA H 200 4.260 4.260 4.158 0.102 17717 1948 1 2 . 1 1 200 200 LEU CA C 200 55.200 55.200 57.360 -2.160 17717 1949 1 2 . 1 1 200 200 LEU CB C 200 41.200 41.200 41.784 -0.584 17717 1950 1 2 . 1 1 200 200 LEU H H 200 8.170 8.170 8.055 0.116 17717 1951 1 2 . 1 1 201 201 GLY N N 201 109.990 109.990 106.523 3.467 17717 1952 1 2 . 1 1 201 201 GLY CA C 201 44.700 44.700 46.859 -2.159 17717 1953 1 2 . 1 1 201 201 GLY H H 201 8.290 8.290 7.882 0.408 17717 1954 1 2 . 1 1 202 202 GLU N N 202 126.460 126.460 120.517 5.943 17717 1955 1 2 . 1 1 202 202 GLU HA H 202 4.220 4.220 4.217 0.003 17717 1956 1 2 . 1 1 202 202 GLU CA C 202 56.600 56.600 58.134 -1.534 17717 1957 1 2 . 1 1 202 202 GLU CB C 202 32.800 32.800 29.897 2.903 17717 1958 1 2 . 1 1 202 202 GLU H H 202 7.750 7.750 7.739 0.011 17717 1959 1 2 . 1 1 203 203 LYS CA C 203 55.775 55.775 55.315 0.460 17717 1960 1 2 . 1 1 203 203 LYS CB C 203 32.283 32.283 32.923 -0.640 17717 1961 1 2 . 1 1 204 204 ALA N N 204 125.390 125.390 121.640 3.750 17717 1962 1 2 . 1 1 204 204 ALA HA H 204 4.310 4.310 4.618 -0.308 17717 1963 1 2 . 1 1 204 204 ALA CA C 204 52.000 52.000 50.790 1.210 17717 1964 1 2 . 1 1 204 204 ALA CB C 204 18.400 18.400 19.841 -1.441 17717 1965 1 2 . 1 1 204 204 ALA H H 204 8.180 8.180 7.166 1.014 17717 1966 1 2 . 1 1 205 205 ARG N N 205 121.150 121.150 117.057 4.093 17717 1967 1 2 . 1 1 205 205 ARG HA H 205 4.270 4.270 4.098 0.172 17717 1968 1 2 . 1 1 205 205 ARG CA C 205 56.384 56.384 56.681 -0.297 17717 1969 1 2 . 1 1 205 205 ARG CB C 205 29.193 29.193 28.675 0.518 17717 1970 1 2 . 1 1 205 205 ARG H H 205 8.350 8.350 8.159 0.191 17717 1971 1 2 . 1 1 206 206 PRO CA C 206 62.600 62.600 64.871 -2.271 17717 1972 1 2 . 1 1 206 206 PRO CB C 206 31.400 31.400 31.798 -0.398 17717 1973 1 2 . 1 1 207 207 ALA N N 207 125.400 125.400 120.283 5.117 17717 1974 1 2 . 1 1 207 207 ALA HA H 207 4.308 4.308 4.199 0.109 17717 1975 1 2 . 1 1 207 207 ALA CA C 207 51.700 51.700 54.075 -2.375 17717 1976 1 2 . 1 1 207 207 ALA CB C 207 18.200 18.200 18.372 -0.172 17717 1977 1 2 . 1 1 207 207 ALA H H 207 8.400 8.400 8.141 0.259 17717 1978 1 2 . 1 1 208 208 LEU N N 208 121.680 121.680 118.011 3.669 17717 1979 1 2 . 1 1 208 208 LEU HA H 208 4.480 4.480 4.343 0.137 17717 1980 1 2 . 1 1 208 208 LEU CA C 208 55.100 55.100 56.332 -1.232 17717 1981 1 2 . 1 1 208 208 LEU CB C 208 41.200 41.200 42.619 -1.419 17717 1982 1 2 . 1 1 208 208 LEU H H 208 8.180 8.180 7.630 0.550 17717 1983 1 2 . 1 1 209 209 GLU N N 209 121.147 121.147 121.035 0.112 17717 1984 1 2 . 1 1 209 209 GLU HA H 209 4.180 4.180 3.956 0.224 17717 1985 1 2 . 1 1 209 209 GLU CA C 209 56.477 56.477 59.751 -3.274 17717 1986 1 2 . 1 1 209 209 GLU CB C 209 29.250 29.250 28.552 0.698 17717 1987 1 2 . 1 1 209 209 GLU H H 209 8.380 8.380 8.313 0.067 17717 1988 1 2 . 1 1 210 210 ASP N N 210 121.147 121.147 119.535 1.612 17717 1989 1 2 . 1 1 210 210 ASP HA H 210 4.260 4.260 4.425 -0.165 17717 1990 1 2 . 1 1 210 210 ASP CA C 210 55.000 55.000 57.383 -2.383 17717 1991 1 2 . 1 1 210 210 ASP CB C 210 37.200 37.200 40.892 -3.692 17717 1992 1 2 . 1 1 210 210 ASP H H 210 8.280 8.280 8.031 0.249 17717 1993 1 2 . 1 1 211 211 LEU N N 211 122.210 122.210 119.107 3.103 17717 1994 1 2 . 1 1 211 211 LEU HA H 211 4.220 4.220 4.238 -0.018 17717 1995 1 2 . 1 1 211 211 LEU CA C 211 57.400 57.400 56.560 0.840 17717 1996 1 2 . 1 1 211 211 LEU CB C 211 39.430 39.430 41.774 -2.344 17717 1997 1 2 . 1 1 211 211 LEU H H 211 8.640 8.640 7.612 1.028 17717 1998 1 2 . 1 1 212 212 ARG N N 212 119.550 119.550 118.466 1.084 17717 1999 1 2 . 1 1 212 212 ARG HA H 212 4.220 4.220 3.896 0.324 17717 2000 1 2 . 1 1 212 212 ARG CA C 212 57.400 57.400 59.167 -1.767 17717 2001 1 2 . 1 1 212 212 ARG CB C 212 29.600 29.600 30.426 -0.826 17717 2002 1 2 . 1 1 212 212 ARG H H 212 7.910 7.910 8.097 -0.187 17717 2003 1 2 . 1 1 213 213 HIS CA C 213 56.200 56.200 58.818 -2.618 17717 2004 1 2 . 1 1 213 213 HIS CB C 213 31.900 31.900 30.448 1.452 17717 2005 1 2 . 1 1 214 214 SER N N 214 116.366 116.366 117.055 -0.689 17717 2006 1 2 . 1 1 214 214 SER HA H 214 4.265 4.265 4.507 -0.242 17717 2007 1 2 . 1 1 214 214 SER CA C 214 61.100 61.100 58.230 2.870 17717 2008 1 2 . 1 1 214 214 SER CB C 214 63.100 63.100 62.590 0.510 17717 2009 1 2 . 1 1 214 214 SER H H 214 8.140 8.140 7.754 0.386 17717 2010 1 2 . 1 1 215 215 LEU N N 215 130.565 130.565 126.480 4.085 17717 2011 1 2 . 1 1 215 215 LEU HA H 215 4.730 4.730 4.600 0.130 17717 2012 1 2 . 1 1 215 215 LEU CA C 215 54.900 54.900 54.053 0.847 17717 2013 1 2 . 1 1 215 215 LEU CB C 215 42.000 42.000 43.867 -1.867 17717 2014 1 2 . 1 1 215 215 LEU H H 215 7.890 7.890 7.870 0.020 17717 2015 1 3 . 1 1 2 2 GLU N N 2 121.678 121.678 122.163 -0.485 17717 2016 1 3 . 1 1 2 2 GLU HA H 2 4.488 4.488 4.522 -0.034 17717 2017 1 3 . 1 1 2 2 GLU CA C 2 56.418 56.418 55.354 1.064 17717 2018 1 3 . 1 1 2 2 GLU CB C 2 29.014 29.014 30.436 -1.423 17717 2019 1 3 . 1 1 2 2 GLU H H 2 8.276 8.276 8.337 -0.061 17717 2020 1 3 . 1 1 3 3 PRO CA C 3 62.923 62.923 62.734 0.189 17717 2021 1 3 . 1 1 3 3 PRO CB C 3 31.547 31.547 32.967 -1.420 17717 2022 1 3 . 1 1 4 4 GLN N N 4 121.147 121.147 121.250 -0.103 17717 2023 1 3 . 1 1 4 4 GLN HA H 4 4.349 4.349 4.301 0.048 17717 2024 1 3 . 1 1 4 4 GLN CA C 4 55.450 55.450 57.691 -2.241 17717 2025 1 3 . 1 1 4 4 GLN CB C 4 28.854 28.854 29.542 -0.688 17717 2026 1 3 . 1 1 4 4 GLN H H 4 8.500 8.500 8.691 -0.191 17717 2027 1 3 . 1 1 5 5 SER N N 5 117.429 117.429 110.338 7.091 17717 2028 1 3 . 1 1 5 5 SER HA H 5 4.329 4.329 3.187 1.143 17717 2029 1 3 . 1 1 5 5 SER CA C 5 58.100 58.100 57.773 0.327 17717 2030 1 3 . 1 1 5 5 SER CB C 5 63.485 63.485 63.507 -0.022 17717 2031 1 3 . 1 1 5 5 SER H H 5 8.370 8.370 8.135 0.235 17717 2032 1 3 . 1 1 6 6 GLN N N 6 123.803 123.803 120.893 2.910 17717 2033 1 3 . 1 1 6 6 GLN CA C 6 56.330 56.330 59.669 -3.339 17717 2034 1 3 . 1 1 6 6 GLN CB C 6 28.800 28.800 28.822 -0.022 17717 2035 1 3 . 1 1 6 6 GLN H H 6 8.620 8.620 8.561 0.059 17717 2036 1 3 . 1 1 7 7 TRP N N 7 119.022 119.022 117.813 1.209 17717 2037 1 3 . 1 1 7 7 TRP HA H 7 4.394 4.394 4.395 -0.001 17717 2038 1 3 . 1 1 7 7 TRP CA C 7 59.800 59.800 59.795 0.005 17717 2039 1 3 . 1 1 7 7 TRP CB C 7 27.800 27.800 28.215 -0.415 17717 2040 1 3 . 1 1 7 7 TRP H H 7 7.970 7.970 8.270 -0.300 17717 2041 1 3 . 1 1 8 8 ASP N N 8 121.678 121.678 120.248 1.430 17717 2042 1 3 . 1 1 8 8 ASP HA H 8 4.409 4.409 4.326 0.083 17717 2043 1 3 . 1 1 8 8 ASP CA C 8 56.912 56.912 57.255 -0.343 17717 2044 1 3 . 1 1 8 8 ASP CB C 8 38.400 38.400 39.955 -1.555 17717 2045 1 3 . 1 1 8 8 ASP H H 8 8.440 8.440 7.038 1.402 17717 2046 1 3 . 1 1 9 9 LYS N N 9 120.616 120.616 120.736 -0.120 17717 2047 1 3 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.123 -0.033 17717 2048 1 3 . 1 1 9 9 LYS CA C 9 58.277 58.277 58.514 -0.237 17717 2049 1 3 . 1 1 9 9 LYS CB C 9 31.550 31.550 32.151 -0.601 17717 2050 1 3 . 1 1 9 9 LYS H H 9 7.830 7.830 7.193 0.637 17717 2051 1 3 . 1 1 10 10 VAL N N 10 118.491 118.491 115.453 3.038 17717 2052 1 3 . 1 1 10 10 VAL HA H 10 3.830 3.830 4.186 -0.356 17717 2053 1 3 . 1 1 10 10 VAL CA C 10 65.630 65.630 66.777 -1.147 17717 2054 1 3 . 1 1 10 10 VAL CB C 10 31.300 31.300 31.328 -0.028 17717 2055 1 3 . 1 1 10 10 VAL H H 10 7.160 7.160 8.173 -1.013 17717 2056 1 3 . 1 1 11 11 LYS N N 11 122.210 122.210 119.163 3.047 17717 2057 1 3 . 1 1 11 11 LYS HA H 11 3.880 3.880 3.877 0.003 17717 2058 1 3 . 1 1 11 11 LYS CA C 11 59.460 59.460 59.368 0.092 17717 2059 1 3 . 1 1 11 11 LYS CB C 11 31.200 31.200 32.032 -0.832 17717 2060 1 3 . 1 1 11 11 LYS H H 11 8.660 8.660 7.761 0.899 17717 2061 1 3 . 1 1 12 12 ASP N N 12 119.553 119.553 120.380 -0.827 17717 2062 1 3 . 1 1 12 12 ASP HA H 12 4.140 4.140 4.383 -0.243 17717 2063 1 3 . 1 1 12 12 ASP CA C 12 57.381 57.381 57.515 -0.134 17717 2064 1 3 . 1 1 12 12 ASP CB C 12 39.800 39.800 40.876 -1.076 17717 2065 1 3 . 1 1 12 12 ASP H H 12 7.790 7.790 7.900 -0.110 17717 2066 1 3 . 1 1 13 13 PHE N N 13 116.500 116.500 119.029 -2.529 17717 2067 1 3 . 1 1 13 13 PHE HA H 13 4.690 4.690 4.327 0.363 17717 2068 1 3 . 1 1 13 13 PHE CA C 13 58.662 58.662 60.310 -1.649 17717 2069 1 3 . 1 1 13 13 PHE CB C 13 38.700 38.700 38.107 0.593 17717 2070 1 3 . 1 1 13 13 PHE H H 13 7.680 7.680 7.749 -0.069 17717 2071 1 3 . 1 1 14 14 ALA N N 14 122.209 122.209 122.565 -0.356 17717 2072 1 3 . 1 1 14 14 ALA HA H 14 4.008 4.008 3.716 0.292 17717 2073 1 3 . 1 1 14 14 ALA CA C 14 54.550 54.550 54.690 -0.140 17717 2074 1 3 . 1 1 14 14 ALA CB C 14 17.250 17.250 17.925 -0.675 17717 2075 1 3 . 1 1 14 14 ALA H H 14 8.760 8.760 7.463 1.297 17717 2076 1 3 . 1 1 15 15 ASN N N 15 119.553 119.553 115.329 4.224 17717 2077 1 3 . 1 1 15 15 ASN HA H 15 4.520 4.520 4.317 0.203 17717 2078 1 3 . 1 1 15 15 ASN CA C 15 56.084 56.084 54.982 1.102 17717 2079 1 3 . 1 1 15 15 ASN CB C 15 38.544 38.544 38.540 0.004 17717 2080 1 3 . 1 1 15 15 ASN H H 15 8.930 8.930 7.479 1.451 17717 2081 1 3 . 1 1 16 16 VAL N N 16 116.897 116.897 121.551 -4.654 17717 2082 1 3 . 1 1 16 16 VAL HA H 16 3.590 3.590 3.601 -0.011 17717 2083 1 3 . 1 1 16 16 VAL CA C 16 64.600 64.600 67.823 -3.223 17717 2084 1 3 . 1 1 16 16 VAL CB C 16 31.800 31.800 31.766 0.034 17717 2085 1 3 . 1 1 16 16 VAL H H 16 7.870 7.870 7.442 0.428 17717 2086 1 3 . 1 1 17 17 TYR N N 17 112.116 112.116 117.954 -5.838 17717 2087 1 3 . 1 1 17 17 TYR HA H 17 4.751 4.751 4.361 0.390 17717 2088 1 3 . 1 1 17 17 TYR CA C 17 59.040 59.040 60.867 -1.827 17717 2089 1 3 . 1 1 17 17 TYR CB C 17 39.060 39.060 37.224 1.836 17717 2090 1 3 . 1 1 17 17 TYR H H 17 8.000 8.000 8.221 -0.221 17717 2091 1 3 . 1 1 18 18 VAL N N 18 114.241 114.241 120.490 -6.249 17717 2092 1 3 . 1 1 18 18 VAL HA H 18 4.220 4.220 3.372 0.848 17717 2093 1 3 . 1 1 18 18 VAL CA C 18 63.520 63.520 66.373 -2.853 17717 2094 1 3 . 1 1 18 18 VAL CB C 18 31.128 31.128 31.344 -0.216 17717 2095 1 3 . 1 1 18 18 VAL H H 18 7.600 7.600 6.834 0.766 17717 2096 1 3 . 1 1 19 19 ASP N N 19 123.272 123.272 119.871 3.401 17717 2097 1 3 . 1 1 19 19 ASP HA H 19 4.523 4.523 4.292 0.231 17717 2098 1 3 . 1 1 19 19 ASP CA C 19 56.445 56.445 57.502 -1.056 17717 2099 1 3 . 1 1 19 19 ASP CB C 19 38.700 38.700 41.081 -2.381 17717 2100 1 3 . 1 1 19 19 ASP H H 19 8.890 8.890 8.060 0.830 17717 2101 1 3 . 1 1 20 20 ALA N N 20 118.491 118.491 122.886 -4.395 17717 2102 1 3 . 1 1 20 20 ALA HA H 20 4.230 4.230 4.372 -0.142 17717 2103 1 3 . 1 1 20 20 ALA CA C 20 54.100 54.100 55.333 -1.233 17717 2104 1 3 . 1 1 20 20 ALA CB C 20 18.760 18.760 19.115 -0.355 17717 2105 1 3 . 1 1 20 20 ALA H H 20 6.630 6.630 7.610 -0.980 17717 2106 1 3 . 1 1 21 21 VAL N N 21 116.897 116.897 116.428 0.469 17717 2107 1 3 . 1 1 21 21 VAL HA H 21 3.664 3.664 3.422 0.242 17717 2108 1 3 . 1 1 21 21 VAL CA C 21 66.200 66.200 65.279 0.921 17717 2109 1 3 . 1 1 21 21 VAL CB C 21 30.460 30.460 30.718 -0.258 17717 2110 1 3 . 1 1 21 21 VAL H H 21 7.410 7.410 7.744 -0.334 17717 2111 1 3 . 1 1 22 22 LYS N N 22 121.147 121.147 120.446 0.701 17717 2112 1 3 . 1 1 22 22 LYS HA H 22 4.222 4.222 4.039 0.183 17717 2113 1 3 . 1 1 22 22 LYS CA C 22 59.300 59.300 59.236 0.064 17717 2114 1 3 . 1 1 22 22 LYS CB C 22 31.100 31.100 32.110 -1.010 17717 2115 1 3 . 1 1 22 22 LYS H H 22 8.180 8.180 8.143 0.037 17717 2116 1 3 . 1 1 23 23 ASP N N 23 121.278 121.278 119.342 1.936 17717 2117 1 3 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.544 0.022 17717 2118 1 3 . 1 1 23 23 ASP CA C 23 56.300 56.300 57.048 -0.749 17717 2119 1 3 . 1 1 23 23 ASP CB C 23 38.800 38.800 40.756 -1.956 17717 2120 1 3 . 1 1 23 23 ASP H H 23 8.860 8.860 7.900 0.960 17717 2121 1 3 . 1 1 24 24 SER N N 24 118.491 118.491 115.186 3.305 17717 2122 1 3 . 1 1 24 24 SER HA H 24 4.132 4.132 3.974 0.158 17717 2123 1 3 . 1 1 24 24 SER CA C 24 61.600 61.600 60.878 0.722 17717 2124 1 3 . 1 1 24 24 SER CB C 24 62.442 62.442 62.252 0.190 17717 2125 1 3 . 1 1 24 24 SER H H 24 7.950 7.950 8.185 -0.235 17717 2126 1 3 . 1 1 25 25 GLY N N 25 108.377 108.377 110.707 -2.330 17717 2127 1 3 . 1 1 25 25 GLY CA C 25 44.400 44.400 46.701 -2.301 17717 2128 1 3 . 1 1 25 25 GLY H H 25 7.560 7.560 7.637 -0.077 17717 2129 1 3 . 1 1 26 26 ARG N N 26 124.240 124.240 121.398 2.842 17717 2130 1 3 . 1 1 26 26 ARG HA H 26 4.303 4.303 4.154 0.149 17717 2131 1 3 . 1 1 26 26 ARG CA C 26 54.000 54.000 58.460 -4.460 17717 2132 1 3 . 1 1 26 26 ARG CB C 26 28.240 28.240 29.914 -1.674 17717 2133 1 3 . 1 1 26 26 ARG H H 26 8.200 8.200 7.724 0.476 17717 2134 1 3 . 1 1 27 27 ASP N N 27 121.678 121.678 118.394 3.284 17717 2135 1 3 . 1 1 27 27 ASP HA H 27 4.211 4.211 4.547 -0.336 17717 2136 1 3 . 1 1 27 27 ASP CA C 27 58.380 58.380 56.734 1.646 17717 2137 1 3 . 1 1 27 27 ASP CB C 27 40.400 40.400 41.364 -0.964 17717 2138 1 3 . 1 1 27 27 ASP H H 27 7.880 7.880 7.703 0.177 17717 2139 1 3 . 1 1 28 28 TYR N N 28 121.440 121.440 121.741 -0.301 17717 2140 1 3 . 1 1 28 28 TYR HA H 28 4.480 4.480 4.451 0.029 17717 2141 1 3 . 1 1 28 28 TYR CA C 28 57.800 57.800 60.822 -3.022 17717 2142 1 3 . 1 1 28 28 TYR CB C 28 38.322 38.322 38.944 -0.622 17717 2143 1 3 . 1 1 28 28 TYR H H 28 8.020 8.020 8.107 -0.087 17717 2144 1 3 . 1 1 29 29 VAL N N 29 123.272 123.272 118.943 4.329 17717 2145 1 3 . 1 1 29 29 VAL HA H 29 4.040 4.040 3.603 0.437 17717 2146 1 3 . 1 1 29 29 VAL CA C 29 66.400 66.400 64.661 1.739 17717 2147 1 3 . 1 1 29 29 VAL CB C 29 30.500 30.500 31.059 -0.559 17717 2148 1 3 . 1 1 29 29 VAL H H 29 8.280 8.280 8.329 -0.049 17717 2149 1 3 . 1 1 30 30 SER N N 30 117.429 117.429 116.297 1.132 17717 2150 1 3 . 1 1 30 30 SER HA H 30 4.000 4.000 4.036 -0.036 17717 2151 1 3 . 1 1 30 30 SER CA C 30 61.070 61.070 62.107 -1.037 17717 2152 1 3 . 1 1 30 30 SER CB C 30 62.000 62.000 62.924 -0.924 17717 2153 1 3 . 1 1 30 30 SER H H 30 8.930 8.930 7.714 1.216 17717 2154 1 3 . 1 1 31 31 GLN N N 31 121.147 121.147 121.543 -0.396 17717 2155 1 3 . 1 1 31 31 GLN HA H 31 4.136 4.136 4.058 0.078 17717 2156 1 3 . 1 1 31 31 GLN CA C 31 58.210 58.210 58.332 -0.122 17717 2157 1 3 . 1 1 31 31 GLN CB C 31 27.600 27.600 28.219 -0.619 17717 2158 1 3 . 1 1 31 31 GLN H H 31 7.740 7.740 7.457 0.283 17717 2159 1 3 . 1 1 32 32 PHE N N 32 117.429 117.429 119.549 -2.120 17717 2160 1 3 . 1 1 32 32 PHE HA H 32 4.020 4.020 3.931 0.089 17717 2161 1 3 . 1 1 32 32 PHE CA C 32 60.600 60.600 60.881 -0.281 17717 2162 1 3 . 1 1 32 32 PHE CB C 32 36.896 36.896 38.706 -1.810 17717 2163 1 3 . 1 1 32 32 PHE H H 32 7.200 7.200 7.546 -0.346 17717 2164 1 3 . 1 1 33 33 GLU N N 33 122.210 122.210 118.660 3.550 17717 2165 1 3 . 1 1 33 33 GLU HA H 33 4.769 4.769 3.480 1.289 17717 2166 1 3 . 1 1 33 33 GLU CA C 33 59.220 59.220 58.771 0.449 17717 2167 1 3 . 1 1 33 33 GLU CB C 33 29.240 29.240 28.981 0.259 17717 2168 1 3 . 1 1 33 33 GLU H H 33 8.160 8.160 7.735 0.425 17717 2169 1 3 . 1 1 34 34 SER N N 34 109.991 109.991 113.548 -3.557 17717 2170 1 3 . 1 1 34 34 SER HA H 34 4.309 4.309 4.210 0.099 17717 2171 1 3 . 1 1 34 34 SER CA C 34 58.240 58.240 60.425 -2.185 17717 2172 1 3 . 1 1 34 34 SER CB C 34 63.260 63.260 62.852 0.408 17717 2173 1 3 . 1 1 34 34 SER H H 34 7.890 7.890 7.682 0.208 17717 2174 1 3 . 1 1 35 35 SER N N 35 120.085 120.085 117.696 2.389 17717 2175 1 3 . 1 1 35 35 SER HA H 35 4.354 4.354 4.073 0.281 17717 2176 1 3 . 1 1 35 35 SER CA C 35 58.100 58.100 61.711 -3.611 17717 2177 1 3 . 1 1 35 35 SER CB C 35 64.398 64.398 62.750 1.648 17717 2178 1 3 . 1 1 35 35 SER H H 35 7.420 7.420 7.907 -0.487 17717 2179 1 3 . 1 1 36 36 SER N N 36 116.130 116.130 118.791 -2.661 17717 2180 1 3 . 1 1 36 36 SER HA H 36 4.350 4.350 4.114 0.236 17717 2181 1 3 . 1 1 36 36 SER CA C 36 58.600 58.600 61.922 -3.322 17717 2182 1 3 . 1 1 36 36 SER CB C 36 63.370 63.370 62.790 0.580 17717 2183 1 3 . 1 1 36 36 SER H H 36 8.100 8.100 7.519 0.581 17717 2184 1 3 . 1 1 37 37 LEU N N 37 121.678 121.678 121.374 0.304 17717 2185 1 3 . 1 1 37 37 LEU HA H 37 4.222 4.222 4.105 0.117 17717 2186 1 3 . 1 1 37 37 LEU CA C 37 56.400 56.400 56.988 -0.588 17717 2187 1 3 . 1 1 37 37 LEU CB C 37 41.200 41.200 41.802 -0.602 17717 2188 1 3 . 1 1 37 37 LEU H H 37 8.290 8.290 7.403 0.887 17717 2189 1 3 . 1 1 38 38 GLY N N 38 108.400 108.400 105.658 2.742 17717 2190 1 3 . 1 1 38 38 GLY CA C 38 46.220 46.220 46.513 -0.293 17717 2191 1 3 . 1 1 38 38 GLY H H 38 7.280 7.280 7.965 -0.685 17717 2192 1 3 . 1 1 39 39 GLN N N 39 120.920 120.920 122.617 -1.697 17717 2193 1 3 . 1 1 39 39 GLN HA H 39 4.092 4.092 4.022 0.070 17717 2194 1 3 . 1 1 39 39 GLN CA C 39 57.423 57.423 58.802 -1.379 17717 2195 1 3 . 1 1 39 39 GLN CB C 39 28.847 28.847 28.507 0.340 17717 2196 1 3 . 1 1 39 39 GLN H H 39 8.360 8.360 8.014 0.346 17717 2197 1 3 . 1 1 40 40 GLN N N 40 118.648 118.648 118.989 -0.341 17717 2198 1 3 . 1 1 40 40 GLN HA H 40 4.040 4.040 4.053 -0.013 17717 2199 1 3 . 1 1 40 40 GLN CA C 40 57.471 57.471 58.480 -1.009 17717 2200 1 3 . 1 1 40 40 GLN CB C 40 28.777 28.777 28.426 0.351 17717 2201 1 3 . 1 1 40 40 GLN H H 40 7.630 7.630 7.675 -0.045 17717 2202 1 3 . 1 1 41 41 LEU N N 41 116.800 116.800 121.808 -5.008 17717 2203 1 3 . 1 1 41 41 LEU HA H 41 4.222 4.222 3.960 0.262 17717 2204 1 3 . 1 1 41 41 LEU CA C 41 55.400 55.400 58.088 -2.688 17717 2205 1 3 . 1 1 41 41 LEU CB C 41 41.754 41.754 41.987 -0.233 17717 2206 1 3 . 1 1 41 41 LEU H H 41 8.010 8.010 7.845 0.165 17717 2207 1 3 . 1 1 42 42 ASN N N 42 115.840 115.840 117.620 -1.780 17717 2208 1 3 . 1 1 42 42 ASN HA H 42 4.485 4.485 4.349 0.136 17717 2209 1 3 . 1 1 42 42 ASN CA C 42 53.500 53.500 56.224 -2.724 17717 2210 1 3 . 1 1 42 42 ASN CB C 42 37.000 37.000 38.502 -1.502 17717 2211 1 3 . 1 1 42 42 ASN H H 42 7.840 7.840 7.767 0.073 17717 2212 1 3 . 1 1 43 43 LEU N N 43 118.490 118.490 120.411 -1.921 17717 2213 1 3 . 1 1 43 43 LEU HA H 43 4.480 4.480 3.898 0.582 17717 2214 1 3 . 1 1 43 43 LEU CA C 43 55.502 55.502 57.738 -2.236 17717 2215 1 3 . 1 1 43 43 LEU CB C 43 41.200 41.200 41.156 0.044 17717 2216 1 3 . 1 1 43 43 LEU H H 43 9.670 9.670 7.830 1.840 17717 2217 1 3 . 1 1 44 44 ASN N N 44 119.553 119.553 117.874 1.679 17717 2218 1 3 . 1 1 44 44 ASN HA H 44 4.520 4.520 4.442 0.077 17717 2219 1 3 . 1 1 44 44 ASN CA C 44 52.770 52.770 56.393 -3.623 17717 2220 1 3 . 1 1 44 44 ASN CB C 44 36.200 36.200 38.353 -2.154 17717 2221 1 3 . 1 1 44 44 ASN H H 44 8.950 8.950 7.814 1.136 17717 2222 1 3 . 1 1 45 45 LEU N N 45 119.553 119.553 118.170 1.383 17717 2223 1 3 . 1 1 45 45 LEU HA H 45 4.048 4.048 4.216 -0.168 17717 2224 1 3 . 1 1 45 45 LEU CA C 45 55.569 55.569 57.814 -2.245 17717 2225 1 3 . 1 1 45 45 LEU CB C 45 41.250 41.250 41.582 -0.332 17717 2226 1 3 . 1 1 45 45 LEU H H 45 8.970 8.970 7.617 1.353 17717 2227 1 3 . 1 1 46 46 LEU N N 46 116.900 116.900 118.746 -1.846 17717 2228 1 3 . 1 1 46 46 LEU HA H 46 4.351 4.351 4.142 0.209 17717 2229 1 3 . 1 1 46 46 LEU CA C 46 54.684 54.684 57.423 -2.740 17717 2230 1 3 . 1 1 46 46 LEU CB C 46 39.800 39.800 42.089 -2.288 17717 2231 1 3 . 1 1 46 46 LEU H H 46 8.450 8.450 7.136 1.314 17717 2232 1 3 . 1 1 47 47 GLU N N 47 122.741 122.741 117.934 4.807 17717 2233 1 3 . 1 1 47 47 GLU HA H 47 4.018 4.018 4.082 -0.064 17717 2234 1 3 . 1 1 47 47 GLU CA C 47 58.280 58.280 59.033 -0.753 17717 2235 1 3 . 1 1 47 47 GLU CB C 47 28.800 28.800 29.657 -0.857 17717 2236 1 3 . 1 1 47 47 GLU H H 47 7.490 7.490 7.904 -0.414 17717 2237 1 3 . 1 1 48 48 ASN N N 48 117.200 117.200 119.134 -1.934 17717 2238 1 3 . 1 1 48 48 ASN HA H 48 4.300 4.300 4.485 -0.185 17717 2239 1 3 . 1 1 48 48 ASN CA C 48 53.550 53.550 55.610 -2.060 17717 2240 1 3 . 1 1 48 48 ASN CB C 48 38.490 38.490 38.346 0.144 17717 2241 1 3 . 1 1 48 48 ASN H H 48 8.450 8.450 8.565 -0.115 17717 2242 1 3 . 1 1 49 49 TRP N N 49 119.320 119.320 118.939 0.381 17717 2243 1 3 . 1 1 49 49 TRP HA H 49 4.300 4.300 4.374 -0.074 17717 2244 1 3 . 1 1 49 49 TRP CA C 49 56.200 56.200 59.650 -3.450 17717 2245 1 3 . 1 1 49 49 TRP CB C 49 27.800 27.800 29.506 -1.706 17717 2246 1 3 . 1 1 49 49 TRP H H 49 8.050 8.050 7.689 0.361 17717 2247 1 3 . 1 1 50 50 ASP N N 50 124.860 124.860 114.326 10.534 17717 2248 1 3 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.540 0.150 17717 2249 1 3 . 1 1 50 50 ASP CA C 50 54.180 54.180 54.821 -0.641 17717 2250 1 3 . 1 1 50 50 ASP CB C 50 40.318 40.318 41.569 -1.251 17717 2251 1 3 . 1 1 50 50 ASP H H 50 8.470 8.470 8.136 0.334 17717 2252 1 3 . 1 1 51 51 THR N N 51 114.240 114.240 116.226 -1.986 17717 2253 1 3 . 1 1 51 51 THR HA H 51 4.250 4.250 4.107 0.143 17717 2254 1 3 . 1 1 51 51 THR CA C 51 61.800 61.800 64.210 -2.410 17717 2255 1 3 . 1 1 51 51 THR CB C 51 69.000 69.000 69.400 -0.399 17717 2256 1 3 . 1 1 51 51 THR H H 51 7.920 7.920 8.228 -0.308 17717 2257 1 3 . 1 1 52 52 LEU N N 52 124.335 124.335 120.974 3.361 17717 2258 1 3 . 1 1 52 52 LEU HA H 52 4.261 4.261 4.013 0.248 17717 2259 1 3 . 1 1 52 52 LEU CA C 52 54.800 54.800 55.529 -0.729 17717 2260 1 3 . 1 1 52 52 LEU CB C 52 41.200 41.200 41.239 -0.038 17717 2261 1 3 . 1 1 52 52 LEU H H 52 8.000 8.000 8.219 -0.219 17717 2262 1 3 . 1 1 53 53 GLY N N 53 109.991 109.991 107.256 2.735 17717 2263 1 3 . 1 1 53 53 GLY CA C 53 44.700 44.700 45.133 -0.433 17717 2264 1 3 . 1 1 53 53 GLY H H 53 8.450 8.450 8.454 -0.004 17717 2265 1 3 . 1 1 54 54 SER N N 54 113.710 113.710 114.715 -1.005 17717 2266 1 3 . 1 1 54 54 SER HA H 54 4.480 4.480 4.307 0.173 17717 2267 1 3 . 1 1 54 54 SER CA C 54 57.300 57.300 58.913 -1.613 17717 2268 1 3 . 1 1 54 54 SER CB C 54 63.100 63.100 63.465 -0.365 17717 2269 1 3 . 1 1 54 54 SER H H 54 8.060 8.060 8.196 -0.136 17717 2270 1 3 . 1 1 55 55 THR N N 55 116.897 116.897 114.629 2.268 17717 2271 1 3 . 1 1 55 55 THR HA H 55 4.044 4.044 4.567 -0.523 17717 2272 1 3 . 1 1 55 55 THR CA C 55 61.700 61.700 61.346 0.354 17717 2273 1 3 . 1 1 55 55 THR CB C 55 69.800 69.800 70.496 -0.696 17717 2274 1 3 . 1 1 55 55 THR H H 55 8.210 8.210 8.136 0.074 17717 2275 1 3 . 1 1 56 56 VAL N N 56 123.300 123.300 117.316 5.984 17717 2276 1 3 . 1 1 56 56 VAL HA H 56 3.793 3.793 4.573 -0.780 17717 2277 1 3 . 1 1 56 56 VAL CA C 56 66.384 66.384 60.437 5.947 17717 2278 1 3 . 1 1 56 56 VAL CB C 56 30.268 30.268 31.476 -1.208 17717 2279 1 3 . 1 1 56 56 VAL H H 56 8.280 8.280 8.174 0.106 17717 2280 1 3 . 1 1 57 57 SER N N 57 117.429 117.429 116.304 1.125 17717 2281 1 3 . 1 1 57 57 SER HA H 57 4.136 4.136 4.239 -0.103 17717 2282 1 3 . 1 1 57 57 SER CA C 57 61.100 61.100 61.094 0.006 17717 2283 1 3 . 1 1 57 57 SER CB C 57 62.800 62.800 63.407 -0.607 17717 2284 1 3 . 1 1 57 57 SER H H 57 7.850 7.850 8.623 -0.773 17717 2285 1 3 . 1 1 58 58 GLN N N 58 128.580 128.580 114.626 13.954 17717 2286 1 3 . 1 1 58 58 GLN HA H 58 4.260 4.260 4.252 0.008 17717 2287 1 3 . 1 1 58 58 GLN CA C 58 56.642 56.642 57.532 -0.890 17717 2288 1 3 . 1 1 58 58 GLN CB C 58 29.023 29.023 28.621 0.402 17717 2289 1 3 . 1 1 58 58 GLN H H 58 7.990 7.990 8.169 -0.179 17717 2290 1 3 . 1 1 59 59 LEU N N 59 122.210 122.210 119.841 2.369 17717 2291 1 3 . 1 1 59 59 LEU HA H 59 4.310 4.310 4.061 0.249 17717 2292 1 3 . 1 1 59 59 LEU CA C 59 55.300 55.300 59.336 -4.036 17717 2293 1 3 . 1 1 59 59 LEU CB C 59 41.160 41.160 41.051 0.109 17717 2294 1 3 . 1 1 59 59 LEU H H 59 8.050 8.050 8.474 -0.424 17717 2295 1 3 . 1 1 60 60 GLN N N 60 120.085 120.085 118.427 1.658 17717 2296 1 3 . 1 1 60 60 GLN HA H 60 4.222 4.222 4.062 0.160 17717 2297 1 3 . 1 1 60 60 GLN CA C 60 55.960 55.960 59.201 -3.241 17717 2298 1 3 . 1 1 60 60 GLN CB C 60 27.900 27.900 28.281 -0.381 17717 2299 1 3 . 1 1 60 60 GLN H H 60 8.210 8.210 8.545 -0.335 17717 2300 1 3 . 1 1 61 61 GLU N N 61 120.920 120.920 118.918 2.002 17717 2301 1 3 . 1 1 61 61 GLU HA H 61 4.216 4.216 3.986 0.230 17717 2302 1 3 . 1 1 61 61 GLU CA C 61 56.900 56.900 59.296 -2.396 17717 2303 1 3 . 1 1 61 61 GLU CB C 61 28.500 28.500 29.424 -0.924 17717 2304 1 3 . 1 1 61 61 GLU H H 61 8.590 8.590 8.499 0.091 17717 2305 1 3 . 1 1 62 62 ARG N N 62 118.833 118.833 117.847 0.986 17717 2306 1 3 . 1 1 62 62 ARG HA H 62 4.161 4.161 4.204 -0.043 17717 2307 1 3 . 1 1 62 62 ARG CA C 62 58.030 58.030 58.390 -0.360 17717 2308 1 3 . 1 1 62 62 ARG CB C 62 29.400 29.400 30.422 -1.022 17717 2309 1 3 . 1 1 62 62 ARG H H 62 7.680 7.680 8.312 -0.632 17717 2310 1 3 . 1 1 63 63 LEU N N 63 118.790 118.790 120.817 -2.027 17717 2311 1 3 . 1 1 63 63 LEU HA H 63 4.100 4.100 4.090 0.010 17717 2312 1 3 . 1 1 63 63 LEU CA C 63 56.360 56.360 57.549 -1.189 17717 2313 1 3 . 1 1 63 63 LEU CB C 63 41.130 41.130 41.368 -0.238 17717 2314 1 3 . 1 1 63 63 LEU H H 63 8.320 8.320 7.789 0.531 17717 2315 1 3 . 1 1 64 64 GLY N N 64 104.679 104.679 108.071 -3.392 17717 2316 1 3 . 1 1 64 64 GLY CA C 64 44.145 44.145 48.026 -3.881 17717 2317 1 3 . 1 1 64 64 GLY H H 64 7.220 7.220 8.280 -1.060 17717 2318 1 3 . 1 1 65 65 PRO CA C 65 62.817 62.817 64.773 -1.956 17717 2319 1 3 . 1 1 65 65 PRO CB C 65 31.290 31.290 31.402 -0.112 17717 2320 1 3 . 1 1 66 66 LEU N N 66 124.866 124.866 120.874 3.992 17717 2321 1 3 . 1 1 66 66 LEU HA H 66 4.609 4.609 4.203 0.406 17717 2322 1 3 . 1 1 66 66 LEU CA C 66 52.900 52.900 58.545 -5.645 17717 2323 1 3 . 1 1 66 66 LEU CB C 66 43.200 43.200 40.961 2.239 17717 2324 1 3 . 1 1 66 66 LEU H H 66 8.550 8.550 7.980 0.570 17717 2325 1 3 . 1 1 67 67 THR N N 67 112.116 112.116 113.042 -0.926 17717 2326 1 3 . 1 1 67 67 THR HA H 67 4.824 4.824 4.430 0.394 17717 2327 1 3 . 1 1 67 67 THR CA C 67 59.240 59.240 66.048 -6.808 17717 2328 1 3 . 1 1 67 67 THR CB C 67 71.550 71.550 69.013 2.537 17717 2329 1 3 . 1 1 67 67 THR H H 67 7.650 7.650 7.898 -0.248 17717 2330 1 3 . 1 1 68 68 ARG N N 68 120.085 120.085 119.959 0.126 17717 2331 1 3 . 1 1 68 68 ARG HA H 68 4.230 4.230 4.012 0.218 17717 2332 1 3 . 1 1 68 68 ARG CA C 68 58.600 58.600 58.992 -0.392 17717 2333 1 3 . 1 1 68 68 ARG CB C 68 28.900 28.900 29.976 -1.076 17717 2334 1 3 . 1 1 68 68 ARG H H 68 8.950 8.950 7.547 1.403 17717 2335 1 3 . 1 1 69 69 ASP N N 69 116.366 116.366 120.311 -3.945 17717 2336 1 3 . 1 1 69 69 ASP HA H 69 4.249 4.249 4.347 -0.098 17717 2337 1 3 . 1 1 69 69 ASP CA C 69 56.100 56.100 58.584 -2.484 17717 2338 1 3 . 1 1 69 69 ASP CB C 69 39.550 39.550 40.705 -1.155 17717 2339 1 3 . 1 1 69 69 ASP H H 69 8.100 8.100 7.833 0.267 17717 2340 1 3 . 1 1 70 70 PHE N N 70 119.553 119.553 118.786 0.767 17717 2341 1 3 . 1 1 70 70 PHE HA H 70 4.090 4.090 3.927 0.163 17717 2342 1 3 . 1 1 70 70 PHE CA C 70 60.700 60.700 59.351 1.349 17717 2343 1 3 . 1 1 70 70 PHE CB C 70 38.100 38.100 37.735 0.365 17717 2344 1 3 . 1 1 70 70 PHE H H 70 7.420 7.420 7.256 0.164 17717 2345 1 3 . 1 1 71 71 TRP N N 71 120.085 120.085 121.677 -1.592 17717 2346 1 3 . 1 1 71 71 TRP HA H 71 4.044 4.044 3.316 0.728 17717 2347 1 3 . 1 1 71 71 TRP CA C 71 58.100 58.100 60.664 -2.564 17717 2348 1 3 . 1 1 71 71 TRP CB C 71 28.100 28.100 28.950 -0.850 17717 2349 1 3 . 1 1 71 71 TRP H H 71 6.950 6.950 7.081 -0.131 17717 2350 1 3 . 1 1 72 72 ASP N N 72 121.450 121.450 117.761 3.689 17717 2351 1 3 . 1 1 72 72 ASP HA H 72 4.310 4.310 3.376 0.934 17717 2352 1 3 . 1 1 72 72 ASP CA C 72 55.350 55.350 56.820 -1.470 17717 2353 1 3 . 1 1 72 72 ASP CB C 72 40.000 40.000 40.468 -0.468 17717 2354 1 3 . 1 1 72 72 ASP H H 72 8.350 8.350 7.841 0.509 17717 2355 1 3 . 1 1 73 73 ASN N N 73 117.200 117.200 118.338 -1.138 17717 2356 1 3 . 1 1 73 73 ASN HA H 73 4.220 4.220 4.385 -0.165 17717 2357 1 3 . 1 1 73 73 ASN CA C 73 54.500 54.500 56.408 -1.908 17717 2358 1 3 . 1 1 73 73 ASN CB C 73 40.000 40.000 38.893 1.107 17717 2359 1 3 . 1 1 73 73 ASN H H 73 7.700 7.700 7.765 -0.065 17717 2360 1 3 . 1 1 74 74 LEU N N 74 123.600 123.600 120.180 3.420 17717 2361 1 3 . 1 1 74 74 LEU HA H 74 4.350 4.350 4.464 -0.114 17717 2362 1 3 . 1 1 74 74 LEU CA C 74 54.700 54.700 57.719 -3.019 17717 2363 1 3 . 1 1 74 74 LEU CB C 74 41.400 41.400 42.295 -0.895 17717 2364 1 3 . 1 1 74 74 LEU H H 74 8.330 8.330 8.412 -0.082 17717 2365 1 3 . 1 1 75 75 GLU N N 75 121.400 121.400 120.161 1.239 17717 2366 1 3 . 1 1 75 75 GLU HA H 75 4.000 4.000 3.817 0.183 17717 2367 1 3 . 1 1 75 75 GLU CA C 75 58.200 58.200 59.090 -0.890 17717 2368 1 3 . 1 1 75 75 GLU CB C 75 28.400 28.400 28.802 -0.402 17717 2369 1 3 . 1 1 75 75 GLU H H 75 8.600 8.600 8.355 0.245 17717 2370 1 3 . 1 1 76 76 LYS N N 76 118.000 118.000 119.472 -1.472 17717 2371 1 3 . 1 1 76 76 LYS HA H 76 4.117 4.117 4.123 -0.006 17717 2372 1 3 . 1 1 76 76 LYS CA C 76 58.400 58.400 58.626 -0.225 17717 2373 1 3 . 1 1 76 76 LYS CB C 76 32.480 32.480 32.046 0.434 17717 2374 1 3 . 1 1 76 76 LYS H H 76 7.690 7.690 7.349 0.341 17717 2375 1 3 . 1 1 77 77 GLU N N 77 115.835 115.835 119.540 -3.705 17717 2376 1 3 . 1 1 77 77 GLU HA H 77 4.310 4.310 3.951 0.359 17717 2377 1 3 . 1 1 77 77 GLU CA C 77 54.785 54.785 60.346 -5.561 17717 2378 1 3 . 1 1 77 77 GLU CB C 77 28.355 28.355 29.350 -0.995 17717 2379 1 3 . 1 1 77 77 GLU H H 77 8.290 8.290 7.763 0.527 17717 2380 1 3 . 1 1 78 78 THR N N 78 120.300 120.300 112.668 7.632 17717 2381 1 3 . 1 1 78 78 THR HA H 78 4.410 4.410 3.849 0.561 17717 2382 1 3 . 1 1 78 78 THR CA C 78 68.100 68.100 66.404 1.696 17717 2383 1 3 . 1 1 78 78 THR CB C 78 69.451 69.451 68.650 0.801 17717 2384 1 3 . 1 1 78 78 THR H H 78 7.490 7.490 8.333 -0.843 17717 2385 1 3 . 1 1 79 79 ASP N N 79 120.085 120.085 121.200 -1.115 17717 2386 1 3 . 1 1 79 79 ASP HA H 79 4.480 4.480 4.356 0.124 17717 2387 1 3 . 1 1 79 79 ASP CA C 79 57.426 57.426 57.302 0.124 17717 2388 1 3 . 1 1 79 79 ASP CB C 79 39.240 39.240 40.770 -1.530 17717 2389 1 3 . 1 1 79 79 ASP H H 79 8.880 8.880 7.834 1.046 17717 2390 1 3 . 1 1 80 80 TRP N N 80 123.803 123.803 121.739 2.064 17717 2391 1 3 . 1 1 80 80 TRP HA H 80 4.280 4.280 4.337 -0.057 17717 2392 1 3 . 1 1 80 80 TRP CA C 80 60.660 60.660 61.442 -0.782 17717 2393 1 3 . 1 1 80 80 TRP CB C 80 27.000 27.000 30.442 -3.442 17717 2394 1 3 . 1 1 80 80 TRP H H 80 7.760 7.760 7.698 0.062 17717 2395 1 3 . 1 1 81 81 VAL N N 81 118.790 118.790 117.418 1.372 17717 2396 1 3 . 1 1 81 81 VAL HA H 81 4.280 4.280 3.816 0.464 17717 2397 1 3 . 1 1 81 81 VAL CA C 81 61.200 61.200 66.210 -5.010 17717 2398 1 3 . 1 1 81 81 VAL CB C 81 29.900 29.900 31.702 -1.802 17717 2399 1 3 . 1 1 81 81 VAL H H 81 8.160 8.160 8.962 -0.802 17717 2400 1 3 . 1 1 82 82 ARG N N 82 119.190 119.190 120.053 -0.863 17717 2401 1 3 . 1 1 82 82 ARG HA H 82 4.480 4.480 3.929 0.551 17717 2402 1 3 . 1 1 82 82 ARG CA C 82 58.400 58.400 59.365 -0.965 17717 2403 1 3 . 1 1 82 82 ARG CB C 82 29.800 29.800 30.027 -0.227 17717 2404 1 3 . 1 1 82 82 ARG H H 82 7.100 7.100 8.414 -1.314 17717 2405 1 3 . 1 1 83 83 GLN N N 83 117.960 117.960 118.196 -0.236 17717 2406 1 3 . 1 1 83 83 GLN HA H 83 4.222 4.222 3.942 0.280 17717 2407 1 3 . 1 1 83 83 GLN CA C 83 55.600 55.600 58.414 -2.814 17717 2408 1 3 . 1 1 83 83 GLN CB C 83 28.550 28.550 28.183 0.367 17717 2409 1 3 . 1 1 83 83 GLN H H 83 8.050 8.050 7.695 0.355 17717 2410 1 3 . 1 1 84 84 GLU N N 84 119.022 119.022 118.725 0.297 17717 2411 1 3 . 1 1 84 84 GLU HA H 84 4.100 4.100 3.942 0.158 17717 2412 1 3 . 1 1 84 84 GLU CA C 84 57.300 57.300 58.212 -0.912 17717 2413 1 3 . 1 1 84 84 GLU CB C 84 28.600 28.600 29.005 -0.405 17717 2414 1 3 . 1 1 84 84 GLU H H 84 7.920 7.920 8.240 -0.320 17717 2415 1 3 . 1 1 85 85 MET N N 85 117.565 117.565 120.543 -2.978 17717 2416 1 3 . 1 1 85 85 MET HA H 85 4.265 4.265 3.947 0.318 17717 2417 1 3 . 1 1 85 85 MET CA C 85 55.020 55.020 59.258 -4.238 17717 2418 1 3 . 1 1 85 85 MET CB C 85 33.000 33.000 32.144 0.856 17717 2419 1 3 . 1 1 85 85 MET H H 85 8.230 8.230 7.829 0.401 17717 2420 1 3 . 1 1 86 86 ASN N N 86 119.022 119.022 116.333 2.689 17717 2421 1 3 . 1 1 86 86 ASN HA H 86 4.570 4.570 4.431 0.139 17717 2422 1 3 . 1 1 86 86 ASN CA C 86 56.000 56.000 56.273 -0.272 17717 2423 1 3 . 1 1 86 86 ASN CB C 86 37.700 37.700 38.580 -0.880 17717 2424 1 3 . 1 1 86 86 ASN H H 86 8.600 8.600 7.709 0.891 17717 2425 1 3 . 1 1 87 87 LYS N N 87 120.273 120.273 120.360 -0.087 17717 2426 1 3 . 1 1 87 87 LYS HA H 87 4.100 4.100 3.873 0.227 17717 2427 1 3 . 1 1 87 87 LYS CA C 87 59.000 59.000 59.650 -0.650 17717 2428 1 3 . 1 1 87 87 LYS CB C 87 30.900 30.900 32.229 -1.329 17717 2429 1 3 . 1 1 87 87 LYS H H 87 7.220 7.220 7.568 -0.348 17717 2430 1 3 . 1 1 88 88 ASP N N 88 121.147 121.147 118.879 2.268 17717 2431 1 3 . 1 1 88 88 ASP HA H 88 4.480 4.480 4.397 0.083 17717 2432 1 3 . 1 1 88 88 ASP CA C 88 56.840 56.840 57.070 -0.230 17717 2433 1 3 . 1 1 88 88 ASP CB C 88 39.450 39.450 40.566 -1.116 17717 2434 1 3 . 1 1 88 88 ASP H H 88 7.390 7.390 8.009 -0.619 17717 2435 1 3 . 1 1 89 89 LEU N N 89 122.741 122.741 120.255 2.486 17717 2436 1 3 . 1 1 89 89 LEU HA H 89 4.470 4.470 3.901 0.569 17717 2437 1 3 . 1 1 89 89 LEU CA C 89 57.000 57.000 58.401 -1.401 17717 2438 1 3 . 1 1 89 89 LEU CB C 89 41.000 41.000 42.147 -1.147 17717 2439 1 3 . 1 1 89 89 LEU H H 89 8.910 8.910 7.398 1.512 17717 2440 1 3 . 1 1 90 90 GLU N N 90 119.553 119.553 117.625 1.928 17717 2441 1 3 . 1 1 90 90 GLU HA H 90 4.050 4.050 4.123 -0.073 17717 2442 1 3 . 1 1 90 90 GLU CA C 90 59.100 59.100 58.557 0.543 17717 2443 1 3 . 1 1 90 90 GLU CB C 90 28.556 28.556 29.718 -1.162 17717 2444 1 3 . 1 1 90 90 GLU H H 90 8.260 8.260 7.743 0.517 17717 2445 1 3 . 1 1 91 91 GLU N N 91 119.190 119.190 120.101 -0.911 17717 2446 1 3 . 1 1 91 91 GLU HA H 91 4.136 4.136 4.148 -0.012 17717 2447 1 3 . 1 1 91 91 GLU CA C 91 58.600 58.600 59.246 -0.646 17717 2448 1 3 . 1 1 91 91 GLU CB C 91 28.600 28.600 29.914 -1.314 17717 2449 1 3 . 1 1 91 91 GLU H H 91 7.470 7.470 8.101 -0.631 17717 2450 1 3 . 1 1 92 92 VAL N N 92 122.230 122.230 115.747 6.483 17717 2451 1 3 . 1 1 92 92 VAL HA H 92 3.837 3.837 3.949 -0.112 17717 2452 1 3 . 1 1 92 92 VAL CA C 92 65.900 65.900 66.308 -0.408 17717 2453 1 3 . 1 1 92 92 VAL CB C 92 29.200 29.200 32.075 -2.875 17717 2454 1 3 . 1 1 92 92 VAL H H 92 8.420 8.420 8.250 0.170 17717 2455 1 3 . 1 1 93 93 LYS N N 93 121.300 121.300 118.271 3.029 17717 2456 1 3 . 1 1 93 93 LYS HA H 93 3.836 3.836 4.218 -0.382 17717 2457 1 3 . 1 1 93 93 LYS CA C 93 59.900 59.900 58.681 1.219 17717 2458 1 3 . 1 1 93 93 LYS CB C 93 31.277 31.277 31.925 -0.648 17717 2459 1 3 . 1 1 93 93 LYS H H 93 9.000 9.000 7.578 1.422 17717 2460 1 3 . 1 1 94 94 GLN N N 94 116.900 116.900 116.009 0.891 17717 2461 1 3 . 1 1 94 94 GLN HA H 94 4.094 4.094 4.320 -0.226 17717 2462 1 3 . 1 1 94 94 GLN CA C 94 57.731 57.731 57.511 0.220 17717 2463 1 3 . 1 1 94 94 GLN CB C 94 27.700 27.700 28.672 -0.972 17717 2464 1 3 . 1 1 94 94 GLN H H 94 7.320 7.320 7.580 -0.260 17717 2465 1 3 . 1 1 95 95 LYS N N 95 119.190 119.190 118.949 0.241 17717 2466 1 3 . 1 1 95 95 LYS HA H 95 4.137 4.137 4.244 -0.107 17717 2467 1 3 . 1 1 95 95 LYS CA C 95 57.700 57.700 58.824 -1.124 17717 2468 1 3 . 1 1 95 95 LYS CB C 95 31.800 31.800 33.233 -1.433 17717 2469 1 3 . 1 1 95 95 LYS H H 95 7.590 7.590 7.611 -0.021 17717 2470 1 3 . 1 1 96 96 VAL N N 96 111.000 111.000 117.174 -6.174 17717 2471 1 3 . 1 1 96 96 VAL HA H 96 4.138 4.138 3.472 0.666 17717 2472 1 3 . 1 1 96 96 VAL CA C 96 61.600 61.600 65.769 -4.169 17717 2473 1 3 . 1 1 96 96 VAL CB C 96 31.500 31.500 31.206 0.294 17717 2474 1 3 . 1 1 96 96 VAL H H 96 7.960 7.960 7.737 0.223 17717 2475 1 3 . 1 1 97 97 GLN N N 97 122.210 122.210 119.610 2.600 17717 2476 1 3 . 1 1 97 97 GLN HA H 97 4.030 4.030 3.937 0.093 17717 2477 1 3 . 1 1 97 97 GLN CA C 97 59.226 59.226 58.707 0.519 17717 2478 1 3 . 1 1 97 97 GLN CB C 97 24.578 24.578 27.025 -2.447 17717 2479 1 3 . 1 1 97 97 GLN H H 97 7.380 7.380 8.336 -0.956 17717 2480 1 3 . 1 1 98 98 PRO CA C 98 65.400 65.400 63.312 2.088 17717 2481 1 3 . 1 1 98 98 PRO CB C 98 30.336 30.336 32.243 -1.907 17717 2482 1 3 . 1 1 99 99 TYR N N 99 116.900 116.900 116.479 0.421 17717 2483 1 3 . 1 1 99 99 TYR HA H 99 4.480 4.480 4.202 0.278 17717 2484 1 3 . 1 1 99 99 TYR CA C 99 58.446 58.446 58.505 -0.059 17717 2485 1 3 . 1 1 99 99 TYR CB C 99 36.344 36.344 35.993 0.351 17717 2486 1 3 . 1 1 99 99 TYR H H 99 7.100 7.100 8.141 -1.041 17717 2487 1 3 . 1 1 100 100 LEU N N 100 123.270 123.270 124.465 -1.195 17717 2488 1 3 . 1 1 100 100 LEU HA H 100 3.964 3.964 4.606 -0.642 17717 2489 1 3 . 1 1 100 100 LEU CA C 100 57.300 57.300 55.173 2.127 17717 2490 1 3 . 1 1 100 100 LEU CB C 100 40.950 40.950 42.612 -1.662 17717 2491 1 3 . 1 1 100 100 LEU H H 100 7.500 7.500 8.180 -0.680 17717 2492 1 3 . 1 1 101 101 ASP N N 101 119.500 119.500 118.359 1.141 17717 2493 1 3 . 1 1 101 101 ASP HA H 101 3.810 3.810 4.617 -0.807 17717 2494 1 3 . 1 1 101 101 ASP CA C 101 58.200 58.200 54.750 3.450 17717 2495 1 3 . 1 1 101 101 ASP CB C 101 39.100 39.100 40.046 -0.946 17717 2496 1 3 . 1 1 101 101 ASP H H 101 8.450 8.450 8.103 0.347 17717 2497 1 3 . 1 1 102 102 GLU N N 102 121.221 121.221 120.839 0.382 17717 2498 1 3 . 1 1 102 102 GLU HA H 102 4.222 4.222 3.981 0.241 17717 2499 1 3 . 1 1 102 102 GLU CA C 102 59.200 59.200 58.736 0.464 17717 2500 1 3 . 1 1 102 102 GLU CB C 102 31.100 31.100 28.979 2.121 17717 2501 1 3 . 1 1 102 102 GLU H H 102 8.190 8.190 8.453 -0.263 17717 2502 1 3 . 1 1 103 103 PHE N N 103 124.065 124.065 120.382 3.683 17717 2503 1 3 . 1 1 103 103 PHE HA H 103 4.520 4.520 4.293 0.227 17717 2504 1 3 . 1 1 103 103 PHE CA C 103 57.183 57.183 60.294 -3.111 17717 2505 1 3 . 1 1 103 103 PHE CB C 103 38.608 38.608 38.041 0.567 17717 2506 1 3 . 1 1 103 103 PHE H H 103 8.170 8.170 7.300 0.870 17717 2507 1 3 . 1 1 104 104 GLN N N 104 123.272 123.272 118.110 5.162 17717 2508 1 3 . 1 1 104 104 GLN HA H 104 4.222 4.222 4.041 0.181 17717 2509 1 3 . 1 1 104 104 GLN CA C 104 55.460 55.460 58.867 -3.407 17717 2510 1 3 . 1 1 104 104 GLN CB C 104 29.200 29.200 28.419 0.781 17717 2511 1 3 . 1 1 104 104 GLN H H 104 8.030 8.030 8.577 -0.547 17717 2512 1 3 . 1 1 105 105 LYS N N 105 119.600 119.600 121.019 -1.419 17717 2513 1 3 . 1 1 105 105 LYS HA H 105 4.136 4.136 4.097 0.039 17717 2514 1 3 . 1 1 105 105 LYS CA C 105 57.830 57.830 59.077 -1.247 17717 2515 1 3 . 1 1 105 105 LYS CB C 105 32.220 32.220 32.066 0.154 17717 2516 1 3 . 1 1 105 105 LYS H H 105 7.800 7.800 8.101 -0.301 17717 2517 1 3 . 1 1 106 106 LYS N N 106 117.960 117.960 120.906 -2.946 17717 2518 1 3 . 1 1 106 106 LYS HA H 106 4.093 4.093 4.092 0.001 17717 2519 1 3 . 1 1 106 106 LYS CA C 106 57.860 57.860 59.331 -1.471 17717 2520 1 3 . 1 1 106 106 LYS CB C 106 32.080 32.080 31.868 0.212 17717 2521 1 3 . 1 1 106 106 LYS H H 106 7.740 7.740 7.966 -0.226 17717 2522 1 3 . 1 1 107 107 TRP N N 107 119.320 119.320 119.523 -0.203 17717 2523 1 3 . 1 1 107 107 TRP HA H 107 4.310 4.310 4.215 0.095 17717 2524 1 3 . 1 1 107 107 TRP CA C 107 54.900 54.900 61.074 -6.174 17717 2525 1 3 . 1 1 107 107 TRP CB C 107 28.400 28.400 29.147 -0.747 17717 2526 1 3 . 1 1 107 107 TRP H H 107 8.390 8.390 7.860 0.530 17717 2527 1 3 . 1 1 108 108 LYS N N 108 120.390 120.390 118.894 1.496 17717 2528 1 3 . 1 1 108 108 LYS HA H 108 4.350 4.350 3.806 0.544 17717 2529 1 3 . 1 1 108 108 LYS CA C 108 58.170 58.170 58.763 -0.593 17717 2530 1 3 . 1 1 108 108 LYS CB C 108 30.250 30.250 31.744 -1.494 17717 2531 1 3 . 1 1 108 108 LYS H H 108 7.420 7.420 7.810 -0.390 17717 2532 1 3 . 1 1 109 109 GLU N N 109 120.220 120.220 119.614 0.606 17717 2533 1 3 . 1 1 109 109 GLU HA H 109 3.922 3.922 3.986 -0.064 17717 2534 1 3 . 1 1 109 109 GLU CA C 109 58.230 58.230 59.781 -1.551 17717 2535 1 3 . 1 1 109 109 GLU CB C 109 29.230 29.230 29.703 -0.473 17717 2536 1 3 . 1 1 109 109 GLU H H 109 7.800 7.800 7.465 0.335 17717 2537 1 3 . 1 1 110 110 ASP N N 110 121.678 121.678 120.208 1.470 17717 2538 1 3 . 1 1 110 110 ASP HA H 110 4.096 4.096 4.166 -0.070 17717 2539 1 3 . 1 1 110 110 ASP CA C 110 57.514 57.514 57.326 0.188 17717 2540 1 3 . 1 1 110 110 ASP CB C 110 40.005 40.005 40.620 -0.615 17717 2541 1 3 . 1 1 110 110 ASP H H 110 8.220 8.220 8.486 -0.266 17717 2542 1 3 . 1 1 111 111 VAL N N 111 123.537 123.537 117.238 6.299 17717 2543 1 3 . 1 1 111 111 VAL CA C 111 66.380 66.380 66.449 -0.069 17717 2544 1 3 . 1 1 111 111 VAL CB C 111 30.800 30.800 30.769 0.031 17717 2545 1 3 . 1 1 111 111 VAL H H 111 9.170 9.170 7.569 1.601 17717 2546 1 3 . 1 1 112 112 GLU N N 112 120.200 120.200 120.393 -0.193 17717 2547 1 3 . 1 1 112 112 GLU HA H 112 4.179 4.179 3.974 0.205 17717 2548 1 3 . 1 1 112 112 GLU CA C 112 58.431 58.431 59.375 -0.944 17717 2549 1 3 . 1 1 112 112 GLU CB C 112 27.878 27.878 29.456 -1.578 17717 2550 1 3 . 1 1 112 112 GLU H H 112 7.540 7.540 7.184 0.356 17717 2551 1 3 . 1 1 113 113 LEU N N 113 120.815 120.815 118.555 2.260 17717 2552 1 3 . 1 1 113 113 LEU HA H 113 4.439 4.439 3.725 0.714 17717 2553 1 3 . 1 1 113 113 LEU CA C 113 53.800 53.800 57.638 -3.838 17717 2554 1 3 . 1 1 113 113 LEU CB C 113 41.060 41.060 40.650 0.410 17717 2555 1 3 . 1 1 113 113 LEU H H 113 7.900 7.900 7.388 0.512 17717 2556 1 3 . 1 1 114 114 TYR N N 114 120.920 120.920 118.998 1.922 17717 2557 1 3 . 1 1 114 114 TYR HA H 114 4.520 4.520 4.064 0.456 17717 2558 1 3 . 1 1 114 114 TYR CA C 114 56.942 56.942 60.695 -3.753 17717 2559 1 3 . 1 1 114 114 TYR CB C 114 37.834 37.834 38.152 -0.318 17717 2560 1 3 . 1 1 114 114 TYR H H 114 8.370 8.370 8.089 0.281 17717 2561 1 3 . 1 1 115 115 ARG N N 115 118.260 118.260 117.949 0.311 17717 2562 1 3 . 1 1 115 115 ARG HA H 115 4.820 4.820 3.930 0.890 17717 2563 1 3 . 1 1 115 115 ARG CA C 115 55.700 55.700 59.588 -3.888 17717 2564 1 3 . 1 1 115 115 ARG CB C 115 30.600 30.600 29.655 0.945 17717 2565 1 3 . 1 1 115 115 ARG H H 115 7.630 7.630 7.777 -0.147 17717 2566 1 3 . 1 1 116 116 GLN N N 116 116.670 116.670 117.106 -0.436 17717 2567 1 3 . 1 1 116 116 GLN HA H 116 4.480 4.480 4.089 0.391 17717 2568 1 3 . 1 1 116 116 GLN CA C 116 57.100 57.100 58.763 -1.663 17717 2569 1 3 . 1 1 116 116 GLN CB C 116 28.060 28.060 28.931 -0.871 17717 2570 1 3 . 1 1 116 116 GLN H H 116 7.980 7.980 7.361 0.619 17717 2571 1 3 . 1 1 117 117 LYS N N 117 119.200 119.200 120.202 -1.002 17717 2572 1 3 . 1 1 117 117 LYS HA H 117 4.211 4.211 3.854 0.357 17717 2573 1 3 . 1 1 117 117 LYS CA C 117 56.700 56.700 58.495 -1.795 17717 2574 1 3 . 1 1 117 117 LYS CB C 117 32.100 32.100 31.660 0.440 17717 2575 1 3 . 1 1 117 117 LYS H H 117 7.780 7.780 7.461 0.319 17717 2576 1 3 . 1 1 118 118 ALA N N 118 122.740 122.740 120.079 2.661 17717 2577 1 3 . 1 1 118 118 ALA HA H 118 4.179 4.179 4.015 0.164 17717 2578 1 3 . 1 1 118 118 ALA CA C 118 52.100 52.100 53.445 -1.345 17717 2579 1 3 . 1 1 118 118 ALA CB C 118 18.100 18.100 19.147 -1.047 17717 2580 1 3 . 1 1 118 118 ALA H H 118 8.100 8.100 8.118 -0.018 17717 2581 1 3 . 1 1 119 119 SER N N 119 115.840 115.840 114.572 1.268 17717 2582 1 3 . 1 1 119 119 SER HA H 119 4.210 4.210 4.877 -0.667 17717 2583 1 3 . 1 1 119 119 SER CA C 119 55.900 55.900 54.250 1.650 17717 2584 1 3 . 1 1 119 119 SER CB C 119 62.900 62.900 63.744 -0.844 17717 2585 1 3 . 1 1 119 119 SER H H 119 7.800 7.800 7.521 0.279 17717 2586 1 3 . 1 1 120 120 PRO CA C 120 63.074 63.074 62.922 0.152 17717 2587 1 3 . 1 1 120 120 PRO CB C 120 31.408 31.408 32.123 -0.715 17717 2588 1 3 . 1 1 121 121 GLN N N 121 120.800 120.800 126.924 -6.124 17717 2589 1 3 . 1 1 121 121 GLN HA H 121 4.350 4.350 4.059 0.291 17717 2590 1 3 . 1 1 121 121 GLN CA C 121 55.800 55.800 58.942 -3.142 17717 2591 1 3 . 1 1 121 121 GLN CB C 121 28.300 28.300 27.691 0.609 17717 2592 1 3 . 1 1 121 121 GLN H H 121 8.450 8.450 8.489 -0.039 17717 2593 1 3 . 1 1 122 122 GLY N N 122 109.991 109.991 107.174 2.817 17717 2594 1 3 . 1 1 122 122 GLY CA C 122 44.500 44.500 46.423 -1.923 17717 2595 1 3 . 1 1 122 122 GLY H H 122 8.380 8.380 8.869 -0.489 17717 2596 1 3 . 1 1 123 123 ALA N N 123 124.866 124.866 124.840 0.026 17717 2597 1 3 . 1 1 123 123 ALA HA H 123 4.280 4.280 4.124 0.156 17717 2598 1 3 . 1 1 123 123 ALA CA C 123 52.440 52.440 55.125 -2.685 17717 2599 1 3 . 1 1 123 123 ALA CB C 123 18.530 18.530 18.683 -0.152 17717 2600 1 3 . 1 1 123 123 ALA H H 123 8.200 8.200 7.991 0.209 17717 2601 1 3 . 1 1 124 124 GLU N N 124 120.000 120.000 117.822 2.178 17717 2602 1 3 . 1 1 124 124 GLU HA H 124 4.265 4.265 4.126 0.139 17717 2603 1 3 . 1 1 124 124 GLU CA C 124 56.533 56.533 58.311 -1.778 17717 2604 1 3 . 1 1 124 124 GLU CB C 124 29.150 29.150 29.201 -0.051 17717 2605 1 3 . 1 1 124 124 GLU H H 124 8.510 8.510 7.903 0.607 17717 2606 1 3 . 1 1 125 125 LEU N N 125 122.740 122.740 122.974 -0.234 17717 2607 1 3 . 1 1 125 125 LEU HA H 125 4.222 4.222 4.004 0.218 17717 2608 1 3 . 1 1 125 125 LEU CA C 125 55.600 55.600 58.261 -2.661 17717 2609 1 3 . 1 1 125 125 LEU CB C 125 41.500 41.500 41.797 -0.297 17717 2610 1 3 . 1 1 125 125 LEU H H 125 8.110 8.110 8.521 -0.411 17717 2611 1 3 . 1 1 126 126 GLN N N 126 120.616 120.616 116.354 4.262 17717 2612 1 3 . 1 1 126 126 GLN HA H 126 4.140 4.140 4.038 0.102 17717 2613 1 3 . 1 1 126 126 GLN CA C 126 56.600 56.600 58.481 -1.881 17717 2614 1 3 . 1 1 126 126 GLN CB C 126 28.200 28.200 28.257 -0.057 17717 2615 1 3 . 1 1 126 126 GLN H H 126 8.190 8.190 8.146 0.044 17717 2616 1 3 . 1 1 127 127 GLU N N 127 121.221 121.221 120.999 0.222 17717 2617 1 3 . 1 1 127 127 GLU HA H 127 4.480 4.480 4.079 0.401 17717 2618 1 3 . 1 1 127 127 GLU CA C 127 57.800 57.800 59.229 -1.429 17717 2619 1 3 . 1 1 127 127 GLU CB C 127 28.000 28.000 29.084 -1.084 17717 2620 1 3 . 1 1 127 127 GLU H H 127 8.130 8.130 7.854 0.276 17717 2621 1 3 . 1 1 128 128 SER N N 128 117.960 117.960 115.264 2.696 17717 2622 1 3 . 1 1 128 128 SER HA H 128 4.140 4.140 4.562 -0.422 17717 2623 1 3 . 1 1 128 128 SER CA C 128 57.800 57.800 61.144 -3.344 17717 2624 1 3 . 1 1 128 128 SER CB C 128 63.860 63.860 63.303 0.557 17717 2625 1 3 . 1 1 128 128 SER H H 128 8.580 8.580 8.388 0.192 17717 2626 1 3 . 1 1 129 129 ALA N N 129 132.300 132.300 122.096 10.204 17717 2627 1 3 . 1 1 129 129 ALA CA C 129 53.505 53.505 54.157 -0.652 17717 2628 1 3 . 1 1 129 129 ALA CB C 129 18.600 18.600 19.185 -0.585 17717 2629 1 3 . 1 1 129 129 ALA H H 129 7.980 7.980 7.899 0.081 17717 2630 1 3 . 1 1 130 130 ARG N N 130 119.553 119.553 116.508 3.045 17717 2631 1 3 . 1 1 130 130 ARG HA H 130 4.274 4.274 4.438 -0.164 17717 2632 1 3 . 1 1 130 130 ARG CA C 130 55.300 55.300 55.705 -0.405 17717 2633 1 3 . 1 1 130 130 ARG CB C 130 31.600 31.600 32.075 -0.475 17717 2634 1 3 . 1 1 130 130 ARG H H 130 8.150 8.150 7.397 0.753 17717 2635 1 3 . 1 1 131 131 GLN N N 131 117.960 117.960 117.610 0.350 17717 2636 1 3 . 1 1 131 131 GLN HA H 131 4.350 4.350 3.987 0.363 17717 2637 1 3 . 1 1 131 131 GLN CA C 131 56.066 56.066 56.897 -0.831 17717 2638 1 3 . 1 1 131 131 GLN CB C 131 29.000 29.000 27.282 1.718 17717 2639 1 3 . 1 1 131 131 GLN H H 131 7.880 7.880 8.453 -0.573 17717 2640 1 3 . 1 1 132 132 LYS N N 132 121.357 121.357 119.037 2.320 17717 2641 1 3 . 1 1 132 132 LYS HA H 132 4.136 4.136 4.338 -0.202 17717 2642 1 3 . 1 1 132 132 LYS CA C 132 56.800 56.800 56.252 0.548 17717 2643 1 3 . 1 1 132 132 LYS CB C 132 31.100 31.100 32.540 -1.440 17717 2644 1 3 . 1 1 132 132 LYS H H 132 7.892 7.892 8.551 -0.659 17717 2645 1 3 . 1 1 133 133 LEU N N 133 120.620 120.620 118.138 2.482 17717 2646 1 3 . 1 1 133 133 LEU HA H 133 4.480 4.480 4.514 -0.034 17717 2647 1 3 . 1 1 133 133 LEU CA C 133 53.900 53.900 54.421 -0.521 17717 2648 1 3 . 1 1 133 133 LEU CB C 133 41.230 41.230 40.891 0.339 17717 2649 1 3 . 1 1 133 133 LEU H H 133 8.320 8.320 8.163 0.157 17717 2650 1 3 . 1 1 134 134 GLN N N 134 121.147 121.147 118.493 2.654 17717 2651 1 3 . 1 1 134 134 GLN HA H 134 4.222 4.222 4.286 -0.064 17717 2652 1 3 . 1 1 134 134 GLN CA C 134 56.146 56.146 56.992 -0.846 17717 2653 1 3 . 1 1 134 134 GLN CB C 134 31.813 31.813 29.440 2.373 17717 2654 1 3 . 1 1 134 134 GLN H H 134 7.870 7.870 8.345 -0.475 17717 2655 1 3 . 1 1 135 135 GLU N N 135 121.678 121.678 119.659 2.019 17717 2656 1 3 . 1 1 135 135 GLU HA H 135 4.136 4.136 4.471 -0.335 17717 2657 1 3 . 1 1 135 135 GLU CA C 135 55.904 55.904 55.881 0.023 17717 2658 1 3 . 1 1 135 135 GLU CB C 135 28.953 28.953 30.477 -1.524 17717 2659 1 3 . 1 1 135 135 GLU H H 135 7.892 7.892 7.968 -0.076 17717 2660 1 3 . 1 1 136 136 LEU N N 136 121.357 121.357 119.233 2.124 17717 2661 1 3 . 1 1 136 136 LEU HA H 136 4.351 4.351 4.294 0.057 17717 2662 1 3 . 1 1 136 136 LEU CA C 136 54.765 54.765 56.177 -1.412 17717 2663 1 3 . 1 1 136 136 LEU CB C 136 41.823 41.823 42.226 -0.403 17717 2664 1 3 . 1 1 136 136 LEU H H 136 7.962 7.962 8.056 -0.094 17717 2665 1 3 . 1 1 137 137 GLN N N 137 124.866 124.866 118.892 5.974 17717 2666 1 3 . 1 1 137 137 GLN HA H 137 4.222 4.222 4.495 -0.273 17717 2667 1 3 . 1 1 137 137 GLN CA C 137 56.300 56.300 55.027 1.273 17717 2668 1 3 . 1 1 137 137 GLN CB C 137 28.000 28.000 30.722 -2.722 17717 2669 1 3 . 1 1 137 137 GLN H H 137 7.938 7.938 7.650 0.288 17717 2670 1 3 . 1 1 138 138 GLY N N 138 111.054 111.054 110.309 0.745 17717 2671 1 3 . 1 1 138 138 GLY CA C 138 44.800 44.800 44.998 -0.198 17717 2672 1 3 . 1 1 138 138 GLY H H 138 8.410 8.410 8.635 -0.225 17717 2673 1 3 . 1 1 139 139 ARG N N 139 116.366 116.366 120.242 -3.876 17717 2674 1 3 . 1 1 139 139 ARG HA H 139 4.230 4.230 4.462 -0.232 17717 2675 1 3 . 1 1 139 139 ARG CA C 139 56.300 56.300 55.812 0.488 17717 2676 1 3 . 1 1 139 139 ARG CB C 139 28.700 28.700 30.804 -2.104 17717 2677 1 3 . 1 1 139 139 ARG H H 139 8.080 8.080 8.534 -0.454 17717 2678 1 3 . 1 1 140 140 LEU N N 140 126.460 126.460 118.665 7.795 17717 2679 1 3 . 1 1 140 140 LEU HA H 140 4.220 4.220 3.926 0.294 17717 2680 1 3 . 1 1 140 140 LEU CA C 140 56.500 56.500 57.350 -0.850 17717 2681 1 3 . 1 1 140 140 LEU CB C 140 41.496 41.496 41.056 0.440 17717 2682 1 3 . 1 1 140 140 LEU H H 140 7.740 7.740 8.251 -0.511 17717 2683 1 3 . 1 1 141 141 SER N N 141 119.190 119.190 115.710 3.480 17717 2684 1 3 . 1 1 141 141 SER HA H 141 4.390 4.390 4.431 -0.041 17717 2685 1 3 . 1 1 141 141 SER CA C 141 56.384 56.384 58.691 -2.308 17717 2686 1 3 . 1 1 141 141 SER CB C 141 62.996 62.996 63.466 -0.470 17717 2687 1 3 . 1 1 141 141 SER H H 141 8.430 8.430 7.985 0.445 17717 2688 1 3 . 1 1 142 142 PRO CA C 142 64.840 64.840 65.076 -0.236 17717 2689 1 3 . 1 1 142 142 PRO CB C 142 31.345 31.345 31.463 -0.118 17717 2690 1 3 . 1 1 143 143 VAL N N 143 116.900 116.900 117.546 -0.646 17717 2691 1 3 . 1 1 143 143 VAL HA H 143 4.100 4.100 3.805 0.295 17717 2692 1 3 . 1 1 143 143 VAL CA C 143 63.800 63.800 64.388 -0.588 17717 2693 1 3 . 1 1 143 143 VAL CB C 143 31.400 31.400 30.228 1.172 17717 2694 1 3 . 1 1 143 143 VAL H H 143 7.780 7.780 8.012 -0.232 17717 2695 1 3 . 1 1 144 144 ALA N N 144 125.700 125.700 121.958 3.742 17717 2696 1 3 . 1 1 144 144 ALA HA H 144 4.390 4.390 4.333 0.057 17717 2697 1 3 . 1 1 144 144 ALA CA C 144 54.200 54.200 55.215 -1.015 17717 2698 1 3 . 1 1 144 144 ALA CB C 144 18.361 18.361 18.248 0.113 17717 2699 1 3 . 1 1 144 144 ALA H H 144 7.970 7.970 7.740 0.230 17717 2700 1 3 . 1 1 145 145 GLU N N 145 120.000 120.000 118.548 1.452 17717 2701 1 3 . 1 1 145 145 GLU HA H 145 3.920 3.920 3.973 -0.053 17717 2702 1 3 . 1 1 145 145 GLU CA C 145 59.400 59.400 59.574 -0.174 17717 2703 1 3 . 1 1 145 145 GLU CB C 145 28.400 28.400 28.810 -0.410 17717 2704 1 3 . 1 1 145 145 GLU H H 145 8.600 8.600 7.832 0.768 17717 2705 1 3 . 1 1 146 146 GLU N N 146 119.022 119.022 118.481 0.541 17717 2706 1 3 . 1 1 146 146 GLU HA H 146 4.050 4.050 4.086 -0.036 17717 2707 1 3 . 1 1 146 146 GLU CA C 146 58.422 58.422 58.234 0.188 17717 2708 1 3 . 1 1 146 146 GLU CB C 146 28.172 28.172 28.383 -0.211 17717 2709 1 3 . 1 1 146 146 GLU H H 146 8.070 8.070 7.765 0.305 17717 2710 1 3 . 1 1 147 147 PHE N N 147 117.023 117.023 119.374 -2.351 17717 2711 1 3 . 1 1 147 147 PHE HA H 147 4.523 4.523 4.417 0.106 17717 2712 1 3 . 1 1 147 147 PHE CA C 147 58.592 58.592 60.782 -2.190 17717 2713 1 3 . 1 1 147 147 PHE CB C 147 40.344 40.344 38.560 1.784 17717 2714 1 3 . 1 1 147 147 PHE H H 147 8.161 8.161 7.612 0.549 17717 2715 1 3 . 1 1 148 148 ARG N N 148 120.085 120.085 119.037 1.048 17717 2716 1 3 . 1 1 148 148 ARG HA H 148 4.136 4.136 4.168 -0.032 17717 2717 1 3 . 1 1 148 148 ARG CA C 148 57.700 57.700 59.183 -1.483 17717 2718 1 3 . 1 1 148 148 ARG CB C 148 30.400 30.400 29.893 0.507 17717 2719 1 3 . 1 1 148 148 ARG H H 148 8.325 8.325 8.589 -0.264 17717 2720 1 3 . 1 1 149 149 ASP N N 149 118.530 118.530 120.951 -2.421 17717 2721 1 3 . 1 1 149 149 ASP HA H 149 4.310 4.310 4.424 -0.114 17717 2722 1 3 . 1 1 149 149 ASP CA C 149 54.600 54.600 57.602 -3.002 17717 2723 1 3 . 1 1 149 149 ASP CB C 149 41.000 41.000 41.509 -0.509 17717 2724 1 3 . 1 1 149 149 ASP H H 149 8.270 8.270 8.585 -0.315 17717 2725 1 3 . 1 1 150 150 ARG N N 150 126.460 126.460 119.234 7.226 17717 2726 1 3 . 1 1 150 150 ARG HA H 150 4.180 4.180 4.131 0.049 17717 2727 1 3 . 1 1 150 150 ARG CA C 150 56.850 56.850 58.333 -1.483 17717 2728 1 3 . 1 1 150 150 ARG CB C 150 30.451 30.451 29.375 1.075 17717 2729 1 3 . 1 1 150 150 ARG H H 150 7.860 7.860 8.060 -0.200 17717 2730 1 3 . 1 1 152 152 ARG CA C 152 55.764 55.764 59.656 -3.892 17717 2731 1 3 . 1 1 152 152 ARG CB C 152 30.014 30.014 30.167 -0.153 17717 2732 1 3 . 1 1 153 153 THR N N 153 115.832 115.832 116.197 -0.365 17717 2733 1 3 . 1 1 153 153 THR HA H 153 4.350 4.350 3.952 0.398 17717 2734 1 3 . 1 1 153 153 THR CA C 153 61.200 61.200 67.022 -5.822 17717 2735 1 3 . 1 1 153 153 THR CB C 153 69.400 69.400 68.592 0.808 17717 2736 1 3 . 1 1 153 153 THR H H 153 8.170 8.170 8.557 -0.387 17717 2737 1 3 . 1 1 154 154 HIS N N 154 129.120 129.120 121.720 7.400 17717 2738 1 3 . 1 1 154 154 HIS HA H 154 4.650 4.650 4.288 0.362 17717 2739 1 3 . 1 1 154 154 HIS CA C 154 56.800 56.800 58.787 -1.987 17717 2740 1 3 . 1 1 154 154 HIS CB C 154 30.400 30.400 29.591 0.809 17717 2741 1 3 . 1 1 154 154 HIS H H 154 7.950 7.950 7.994 -0.044 17717 2742 1 3 . 1 1 155 155 VAL N N 155 120.620 120.620 118.829 1.791 17717 2743 1 3 . 1 1 155 155 VAL HA H 155 4.012 4.012 3.308 0.704 17717 2744 1 3 . 1 1 155 155 VAL CA C 155 62.300 62.300 66.101 -3.801 17717 2745 1 3 . 1 1 155 155 VAL CB C 155 31.600 31.600 30.703 0.897 17717 2746 1 3 . 1 1 155 155 VAL H H 155 7.910 7.910 7.437 0.473 17717 2747 1 3 . 1 1 156 156 ASP N N 156 121.147 121.147 120.510 0.637 17717 2748 1 3 . 1 1 156 156 ASP HA H 156 4.440 4.440 4.322 0.118 17717 2749 1 3 . 1 1 156 156 ASP CA C 156 57.384 57.384 57.689 -0.305 17717 2750 1 3 . 1 1 156 156 ASP CB C 156 40.140 40.140 40.861 -0.721 17717 2751 1 3 . 1 1 156 156 ASP H H 156 8.100 8.100 8.551 -0.451 17717 2752 1 3 . 1 1 157 157 SER N N 157 116.366 116.366 116.309 0.057 17717 2753 1 3 . 1 1 157 157 SER HA H 157 4.220 4.220 4.164 0.056 17717 2754 1 3 . 1 1 157 157 SER CA C 157 61.500 61.500 61.738 -0.238 17717 2755 1 3 . 1 1 157 157 SER CB C 157 62.500 62.500 63.293 -0.793 17717 2756 1 3 . 1 1 157 157 SER H H 157 8.700 8.700 7.565 1.135 17717 2757 1 3 . 1 1 158 158 LEU N N 158 123.272 123.272 122.342 0.930 17717 2758 1 3 . 1 1 158 158 LEU HA H 158 4.520 4.520 4.036 0.484 17717 2759 1 3 . 1 1 158 158 LEU CA C 158 57.140 57.140 58.492 -1.352 17717 2760 1 3 . 1 1 158 158 LEU CB C 158 40.900 40.900 41.857 -0.957 17717 2761 1 3 . 1 1 158 158 LEU H H 158 7.790 7.790 8.315 -0.525 17717 2762 1 3 . 1 1 159 159 ARG N N 159 119.553 119.553 116.312 3.241 17717 2763 1 3 . 1 1 159 159 ARG HA H 159 4.530 4.530 4.103 0.427 17717 2764 1 3 . 1 1 159 159 ARG CA C 159 56.800 56.800 59.196 -2.396 17717 2765 1 3 . 1 1 159 159 ARG CB C 159 29.000 29.000 30.166 -1.166 17717 2766 1 3 . 1 1 159 159 ARG H H 159 8.650 8.650 7.876 0.774 17717 2767 1 3 . 1 1 160 160 THR N N 160 115.304 115.304 114.983 0.321 17717 2768 1 3 . 1 1 160 160 THR HA H 160 3.880 3.880 4.104 -0.224 17717 2769 1 3 . 1 1 160 160 THR CA C 160 65.300 65.300 65.802 -0.502 17717 2770 1 3 . 1 1 160 160 THR CB C 160 68.900 68.900 68.327 0.573 17717 2771 1 3 . 1 1 160 160 THR H H 160 8.100 8.100 7.430 0.670 17717 2772 1 3 . 1 1 161 161 GLN N N 161 122.440 122.440 117.714 4.726 17717 2773 1 3 . 1 1 161 161 GLN HA H 161 4.220 4.220 4.448 -0.228 17717 2774 1 3 . 1 1 161 161 GLN CA C 161 56.900 56.900 57.378 -0.478 17717 2775 1 3 . 1 1 161 161 GLN CB C 161 26.160 26.160 28.907 -2.747 17717 2776 1 3 . 1 1 161 161 GLN H H 161 8.070 8.070 7.880 0.190 17717 2777 1 3 . 1 1 162 162 LEU N N 162 115.398 115.398 120.744 -5.346 17717 2778 1 3 . 1 1 162 162 LEU HA H 162 4.220 4.220 4.377 -0.157 17717 2779 1 3 . 1 1 162 162 LEU CA C 162 56.500 56.500 55.979 0.521 17717 2780 1 3 . 1 1 162 162 LEU CB C 162 41.000 41.000 40.471 0.529 17717 2781 1 3 . 1 1 162 162 LEU H H 162 7.980 7.980 7.763 0.217 17717 2782 1 3 . 1 1 163 163 ALA N N 163 122.210 122.210 123.020 -0.810 17717 2783 1 3 . 1 1 163 163 ALA HA H 163 4.260 4.260 4.099 0.161 17717 2784 1 3 . 1 1 163 163 ALA CA C 163 56.560 56.560 57.127 -0.567 17717 2785 1 3 . 1 1 163 163 ALA CB C 163 15.000 15.000 16.215 -1.215 17717 2786 1 3 . 1 1 163 163 ALA H H 163 7.460 7.460 8.298 -0.838 17717 2787 1 3 . 1 1 164 164 PRO CA C 164 62.800 62.800 65.808 -3.008 17717 2788 1 3 . 1 1 164 164 PRO CB C 164 31.500 31.500 31.264 0.236 17717 2789 1 3 . 1 1 165 165 HIS N N 165 120.080 120.080 116.997 3.083 17717 2790 1 3 . 1 1 165 165 HIS HA H 165 4.390 4.390 4.234 0.156 17717 2791 1 3 . 1 1 165 165 HIS CA C 165 56.000 56.000 60.636 -4.636 17717 2792 1 3 . 1 1 165 165 HIS CB C 165 28.400 28.400 29.596 -1.196 17717 2793 1 3 . 1 1 165 165 HIS H H 165 8.060 8.060 7.884 0.176 17717 2794 1 3 . 1 1 166 166 SER N N 166 116.366 116.366 114.568 1.798 17717 2795 1 3 . 1 1 166 166 SER HA H 166 4.300 4.300 3.992 0.308 17717 2796 1 3 . 1 1 166 166 SER CA C 166 61.200 61.200 62.210 -1.010 17717 2797 1 3 . 1 1 166 166 SER CB C 166 63.000 63.000 62.968 0.032 17717 2798 1 3 . 1 1 166 166 SER H H 166 8.040 8.040 8.461 -0.421 17717 2799 1 3 . 1 1 167 167 GLU N N 167 121.678 121.678 121.173 0.505 17717 2800 1 3 . 1 1 167 167 GLU HA H 167 3.922 3.922 4.143 -0.221 17717 2801 1 3 . 1 1 167 167 GLU CA C 167 62.800 62.800 59.291 3.510 17717 2802 1 3 . 1 1 167 167 GLU CB C 167 31.100 31.100 29.512 1.588 17717 2803 1 3 . 1 1 167 167 GLU H H 167 7.760 7.760 7.648 0.112 17717 2804 1 3 . 1 1 168 168 GLN N N 168 121.147 121.147 119.430 1.717 17717 2805 1 3 . 1 1 168 168 GLN HA H 168 4.320 4.320 4.222 0.098 17717 2806 1 3 . 1 1 168 168 GLN CA C 168 55.300 55.300 58.155 -2.855 17717 2807 1 3 . 1 1 168 168 GLN CB C 168 28.200 28.200 28.685 -0.485 17717 2808 1 3 . 1 1 168 168 GLN H H 168 8.450 8.450 8.348 0.102 17717 2809 1 3 . 1 1 170 170 ARG CA C 170 58.370 58.370 59.245 -0.875 17717 2810 1 3 . 1 1 170 170 ARG CB C 170 28.900 28.900 30.222 -1.322 17717 2811 1 3 . 1 1 171 171 GLU N N 171 117.960 117.960 119.896 -1.936 17717 2812 1 3 . 1 1 171 171 GLU HA H 171 4.140 4.140 4.210 -0.070 17717 2813 1 3 . 1 1 171 171 GLU CA C 171 57.300 57.300 59.152 -1.852 17717 2814 1 3 . 1 1 171 171 GLU CB C 171 29.200 29.200 29.688 -0.488 17717 2815 1 3 . 1 1 171 171 GLU H H 171 7.730 7.730 7.924 -0.194 17717 2816 1 3 . 1 1 172 172 SER N N 172 116.366 116.366 117.248 -0.882 17717 2817 1 3 . 1 1 172 172 SER HA H 172 4.270 4.270 4.195 0.075 17717 2818 1 3 . 1 1 172 172 SER CA C 172 58.000 58.000 62.304 -4.304 17717 2819 1 3 . 1 1 172 172 SER CB C 172 63.000 63.000 63.005 -0.005 17717 2820 1 3 . 1 1 172 172 SER H H 172 8.320 8.320 8.784 -0.464 17717 2821 1 3 . 1 1 173 173 LEU N N 173 124.866 124.866 120.969 3.897 17717 2822 1 3 . 1 1 173 173 LEU HA H 173 4.352 4.352 4.099 0.253 17717 2823 1 3 . 1 1 173 173 LEU CA C 173 54.540 54.540 57.760 -3.220 17717 2824 1 3 . 1 1 173 173 LEU CB C 173 41.400 41.400 41.575 -0.175 17717 2825 1 3 . 1 1 173 173 LEU H H 173 8.260 8.260 7.683 0.577 17717 2826 1 3 . 1 1 174 174 ALA N N 174 126.460 126.460 121.306 5.154 17717 2827 1 3 . 1 1 174 174 ALA HA H 174 4.270 4.270 3.872 0.398 17717 2828 1 3 . 1 1 174 174 ALA CA C 174 55.400 55.400 54.801 0.599 17717 2829 1 3 . 1 1 174 174 ALA CB C 174 17.200 17.200 18.089 -0.889 17717 2830 1 3 . 1 1 174 174 ALA H H 174 8.210 8.210 7.473 0.737 17717 2831 1 3 . 1 1 175 175 GLN N N 175 117.430 117.430 118.391 -0.961 17717 2832 1 3 . 1 1 175 175 GLN HA H 175 4.060 4.060 4.013 0.047 17717 2833 1 3 . 1 1 175 175 GLN CA C 175 58.600 58.600 58.271 0.329 17717 2834 1 3 . 1 1 175 175 GLN CB C 175 27.400 27.400 28.634 -1.234 17717 2835 1 3 . 1 1 175 175 GLN H H 175 8.450 8.450 8.166 0.284 17717 2836 1 3 . 1 1 176 176 ARG N N 176 119.550 119.550 120.524 -0.974 17717 2837 1 3 . 1 1 176 176 ARG HA H 176 4.180 4.180 3.934 0.246 17717 2838 1 3 . 1 1 176 176 ARG CA C 176 56.900 56.900 59.746 -2.846 17717 2839 1 3 . 1 1 176 176 ARG CB C 176 29.300 29.300 30.126 -0.826 17717 2840 1 3 . 1 1 176 176 ARG H H 176 8.070 8.070 8.350 -0.280 17717 2841 1 3 . 1 1 177 177 LEU N N 177 115.840 115.840 116.460 -0.620 17717 2842 1 3 . 1 1 177 177 LEU HA H 177 4.180 4.180 3.900 0.280 17717 2843 1 3 . 1 1 177 177 LEU CA C 177 56.900 56.900 57.936 -1.036 17717 2844 1 3 . 1 1 177 177 LEU CB C 177 40.100 40.100 40.944 -0.844 17717 2845 1 3 . 1 1 177 177 LEU H H 177 8.330 8.330 7.480 0.850 17717 2846 1 3 . 1 1 178 178 ALA N N 178 121.220 121.220 120.659 0.561 17717 2847 1 3 . 1 1 178 178 ALA HA H 178 3.880 3.880 3.964 -0.084 17717 2848 1 3 . 1 1 178 178 ALA CA C 178 54.600 54.600 54.728 -0.128 17717 2849 1 3 . 1 1 178 178 ALA CB C 178 16.900 16.900 18.047 -1.147 17717 2850 1 3 . 1 1 178 178 ALA H H 178 8.570 8.570 7.659 0.911 17717 2851 1 3 . 1 1 179 179 GLU N N 179 118.490 118.490 120.074 -1.584 17717 2852 1 3 . 1 1 179 179 GLU HA H 179 4.180 4.180 4.090 0.090 17717 2853 1 3 . 1 1 179 179 GLU CA C 179 56.600 56.600 59.060 -2.460 17717 2854 1 3 . 1 1 179 179 GLU CB C 179 29.000 29.000 29.648 -0.647 17717 2855 1 3 . 1 1 179 179 GLU H H 179 7.680 7.680 7.810 -0.130 17717 2856 1 3 . 1 1 180 180 LEU N N 180 117.730 117.730 118.415 -0.685 17717 2857 1 3 . 1 1 180 180 LEU HA H 180 4.265 4.265 4.075 0.190 17717 2858 1 3 . 1 1 180 180 LEU CA C 180 55.020 55.020 57.586 -2.566 17717 2859 1 3 . 1 1 180 180 LEU CB C 180 41.100 41.100 41.706 -0.606 17717 2860 1 3 . 1 1 180 180 LEU H H 180 7.680 7.680 7.633 0.047 17717 2861 1 3 . 1 1 181 181 LYS N N 181 117.400 117.400 119.427 -2.027 17717 2862 1 3 . 1 1 181 181 LYS HA H 181 4.480 4.480 3.931 0.549 17717 2863 1 3 . 1 1 181 181 LYS CA C 181 61.900 61.900 58.584 3.316 17717 2864 1 3 . 1 1 181 181 LYS CB C 181 31.800 31.800 32.674 -0.874 17717 2865 1 3 . 1 1 181 181 LYS H H 181 7.510 7.510 7.934 -0.424 17717 2866 1 3 . 1 1 182 182 SER N N 182 114.010 114.010 112.662 1.348 17717 2867 1 3 . 1 1 182 182 SER HA H 182 4.350 4.350 4.292 0.058 17717 2868 1 3 . 1 1 182 182 SER CA C 182 58.000 58.000 59.816 -1.816 17717 2869 1 3 . 1 1 182 182 SER CB C 182 63.300 63.300 64.073 -0.773 17717 2870 1 3 . 1 1 182 182 SER H H 182 7.920 7.920 7.728 0.192 17717 2871 1 3 . 1 1 183 183 ASN N N 183 123.040 123.040 119.600 3.440 17717 2872 1 3 . 1 1 183 183 ASN HA H 183 4.310 4.310 4.620 -0.310 17717 2873 1 3 . 1 1 183 183 ASN CA C 183 55.115 55.115 53.191 1.924 17717 2874 1 3 . 1 1 183 183 ASN CB C 183 37.838 37.838 38.142 -0.303 17717 2875 1 3 . 1 1 183 183 ASN H H 183 8.250 8.250 7.888 0.362 17717 2876 1 3 . 1 1 184 184 PRO CA C 184 63.180 63.180 64.453 -1.273 17717 2877 1 3 . 1 1 184 184 PRO CB C 184 31.400 31.400 32.337 -0.936 17717 2878 1 3 . 1 1 185 185 THR N N 185 114.240 114.240 110.374 3.866 17717 2879 1 3 . 1 1 185 185 THR HA H 185 4.270 4.270 4.523 -0.253 17717 2880 1 3 . 1 1 185 185 THR CA C 185 61.200 61.200 60.833 0.367 17717 2881 1 3 . 1 1 185 185 THR CB C 185 69.100 69.100 71.150 -2.050 17717 2882 1 3 . 1 1 185 185 THR H H 185 8.150 8.150 7.616 0.534 17717 2883 1 3 . 1 1 186 186 LEU N N 186 123.270 123.270 116.493 6.777 17717 2884 1 3 . 1 1 186 186 LEU HA H 186 4.350 4.350 4.752 -0.402 17717 2885 1 3 . 1 1 186 186 LEU CA C 186 55.000 55.000 54.230 0.770 17717 2886 1 3 . 1 1 186 186 LEU CB C 186 41.000 41.000 43.546 -2.546 17717 2887 1 3 . 1 1 186 186 LEU H H 186 8.430 8.430 7.989 0.441 17717 2888 1 3 . 1 1 187 187 ASN N N 187 119.020 119.020 117.748 1.272 17717 2889 1 3 . 1 1 187 187 ASN HA H 187 4.530 4.530 5.079 -0.549 17717 2890 1 3 . 1 1 187 187 ASN CA C 187 53.400 53.400 52.902 0.498 17717 2891 1 3 . 1 1 187 187 ASN CB C 187 37.900 37.900 40.182 -2.283 17717 2892 1 3 . 1 1 187 187 ASN H H 187 8.370 8.370 8.498 -0.128 17717 2893 1 3 . 1 1 188 188 GLU N N 188 123.270 123.270 120.905 2.365 17717 2894 1 3 . 1 1 188 188 GLU HA H 188 4.000 4.000 4.524 -0.524 17717 2895 1 3 . 1 1 188 188 GLU CA C 188 61.700 61.700 57.172 4.528 17717 2896 1 3 . 1 1 188 188 GLU CB C 188 32.100 32.100 31.317 0.783 17717 2897 1 3 . 1 1 188 188 GLU H H 188 7.870 7.870 8.841 -0.971 17717 2898 1 3 . 1 1 189 189 TYR N N 189 122.210 122.210 117.509 4.701 17717 2899 1 3 . 1 1 189 189 TYR HA H 189 4.440 4.440 4.786 -0.346 17717 2900 1 3 . 1 1 189 189 TYR CA C 189 57.120 57.120 58.065 -0.945 17717 2901 1 3 . 1 1 189 189 TYR CB C 189 40.000 40.000 39.587 0.413 17717 2902 1 3 . 1 1 189 189 TYR H H 189 8.590 8.590 8.306 0.284 17717 2903 1 3 . 1 1 190 190 HIS N N 190 124.866 124.866 117.908 6.958 17717 2904 1 3 . 1 1 190 190 HIS HA H 190 4.780 4.780 4.206 0.574 17717 2905 1 3 . 1 1 190 190 HIS CA C 190 56.000 56.000 56.454 -0.454 17717 2906 1 3 . 1 1 190 190 HIS CB C 190 29.400 29.400 29.657 -0.257 17717 2907 1 3 . 1 1 190 190 HIS H H 190 8.420 8.420 8.429 -0.009 17717 2908 1 3 . 1 1 191 191 SER N N 191 117.429 117.429 114.711 2.718 17717 2909 1 3 . 1 1 191 191 SER HA H 191 4.140 4.140 4.545 -0.405 17717 2910 1 3 . 1 1 191 191 SER CA C 191 58.140 58.140 58.225 -0.085 17717 2911 1 3 . 1 1 191 191 SER CB C 191 63.140 63.140 62.094 1.046 17717 2912 1 3 . 1 1 191 191 SER H H 191 8.270 8.270 8.355 -0.085 17717 2913 1 3 . 1 1 192 192 SER N N 192 124.335 124.335 117.983 6.352 17717 2914 1 3 . 1 1 192 192 SER HA H 192 4.730 4.730 4.432 0.298 17717 2915 1 3 . 1 1 192 192 SER CA C 192 59.020 59.020 59.947 -0.926 17717 2916 1 3 . 1 1 192 192 SER CB C 192 63.000 63.000 64.035 -1.035 17717 2917 1 3 . 1 1 192 192 SER H H 192 8.010 8.010 7.742 0.268 17717 2918 1 3 . 1 1 193 193 ALA N N 193 125.930 125.930 121.870 4.060 17717 2919 1 3 . 1 1 193 193 ALA HA H 193 4.310 4.310 4.588 -0.278 17717 2920 1 3 . 1 1 193 193 ALA CA C 193 52.300 52.300 52.510 -0.210 17717 2921 1 3 . 1 1 193 193 ALA CB C 193 18.000 18.000 19.207 -1.207 17717 2922 1 3 . 1 1 193 193 ALA H H 193 8.100 8.100 8.331 -0.231 17717 2923 1 3 . 1 1 194 194 LYS N N 194 126.460 126.460 122.347 4.113 17717 2924 1 3 . 1 1 194 194 LYS HA H 194 4.220 4.220 4.374 -0.154 17717 2925 1 3 . 1 1 194 194 LYS CA C 194 56.600 56.600 55.115 1.485 17717 2926 1 3 . 1 1 194 194 LYS CB C 194 33.000 33.000 31.694 1.306 17717 2927 1 3 . 1 1 194 194 LYS H H 194 7.860 7.860 8.429 -0.569 17717 2928 1 3 . 1 1 195 195 SER N N 195 117.429 117.429 118.733 -1.304 17717 2929 1 3 . 1 1 195 195 SER HA H 195 4.430 4.430 3.946 0.484 17717 2930 1 3 . 1 1 195 195 SER CA C 195 58.499 58.499 59.061 -0.562 17717 2931 1 3 . 1 1 195 195 SER CB C 195 63.129 63.129 61.970 1.159 17717 2932 1 3 . 1 1 195 195 SER H H 195 8.240 8.240 8.704 -0.464 17717 2933 1 3 . 1 1 196 196 HIS N N 196 122.440 122.440 115.752 6.688 17717 2934 1 3 . 1 1 196 196 HIS HA H 196 4.222 4.222 4.214 0.008 17717 2935 1 3 . 1 1 196 196 HIS CA C 196 55.743 55.743 58.630 -2.887 17717 2936 1 3 . 1 1 196 196 HIS CB C 196 28.566 28.566 28.870 -0.304 17717 2937 1 3 . 1 1 196 196 HIS H H 196 8.044 8.044 8.392 -0.348 17717 2938 1 3 . 1 1 197 197 LEU N N 197 117.429 117.429 120.386 -2.957 17717 2939 1 3 . 1 1 197 197 LEU HA H 197 4.179 4.179 4.030 0.149 17717 2940 1 3 . 1 1 197 197 LEU CA C 197 54.540 54.540 58.800 -4.260 17717 2941 1 3 . 1 1 197 197 LEU CB C 197 40.040 40.040 41.786 -1.746 17717 2942 1 3 . 1 1 197 197 LEU H H 197 8.044 8.044 7.565 0.479 17717 2943 1 3 . 1 1 198 198 LYS N N 198 117.430 117.430 118.447 -1.017 17717 2944 1 3 . 1 1 198 198 LYS HA H 198 4.140 4.140 4.051 0.089 17717 2945 1 3 . 1 1 198 198 LYS CA C 198 57.600 57.600 59.120 -1.520 17717 2946 1 3 . 1 1 198 198 LYS CB C 198 32.000 32.000 32.063 -0.063 17717 2947 1 3 . 1 1 198 198 LYS H H 198 7.510 7.510 7.990 -0.480 17717 2948 1 3 . 1 1 199 199 SER N N 199 114.315 114.315 115.991 -1.676 17717 2949 1 3 . 1 1 199 199 SER HA H 199 4.310 4.310 4.143 0.167 17717 2950 1 3 . 1 1 199 199 SER CA C 199 62.000 62.000 61.236 0.764 17717 2951 1 3 . 1 1 199 199 SER CB C 199 63.600 63.600 63.050 0.549 17717 2952 1 3 . 1 1 199 199 SER H H 199 7.930 7.930 7.998 -0.068 17717 2953 1 3 . 1 1 200 200 LEU N N 200 124.335 124.335 121.734 2.601 17717 2954 1 3 . 1 1 200 200 LEU HA H 200 4.260 4.260 4.312 -0.052 17717 2955 1 3 . 1 1 200 200 LEU CA C 200 55.200 55.200 57.308 -2.108 17717 2956 1 3 . 1 1 200 200 LEU CB C 200 41.200 41.200 41.959 -0.759 17717 2957 1 3 . 1 1 200 200 LEU H H 200 8.170 8.170 8.000 0.170 17717 2958 1 3 . 1 1 201 201 GLY N N 201 109.990 109.990 106.679 3.311 17717 2959 1 3 . 1 1 201 201 GLY CA C 201 44.700 44.700 46.890 -2.190 17717 2960 1 3 . 1 1 201 201 GLY H H 201 8.290 8.290 7.723 0.567 17717 2961 1 3 . 1 1 202 202 GLU N N 202 126.460 126.460 119.376 7.084 17717 2962 1 3 . 1 1 202 202 GLU HA H 202 4.220 4.220 4.255 -0.035 17717 2963 1 3 . 1 1 202 202 GLU CA C 202 56.600 56.600 57.960 -1.360 17717 2964 1 3 . 1 1 202 202 GLU CB C 202 32.800 32.800 29.925 2.874 17717 2965 1 3 . 1 1 202 202 GLU H H 202 7.750 7.750 8.034 -0.284 17717 2966 1 3 . 1 1 203 203 LYS CA C 203 55.775 55.775 55.375 0.400 17717 2967 1 3 . 1 1 203 203 LYS CB C 203 32.283 32.283 33.579 -1.296 17717 2968 1 3 . 1 1 204 204 ALA N N 204 125.390 125.390 121.690 3.700 17717 2969 1 3 . 1 1 204 204 ALA HA H 204 4.310 4.310 4.582 -0.272 17717 2970 1 3 . 1 1 204 204 ALA CA C 204 52.000 52.000 50.716 1.284 17717 2971 1 3 . 1 1 204 204 ALA CB C 204 18.400 18.400 21.120 -2.720 17717 2972 1 3 . 1 1 204 204 ALA H H 204 8.180 8.180 7.163 1.017 17717 2973 1 3 . 1 1 205 205 ARG N N 205 121.150 121.150 119.573 1.577 17717 2974 1 3 . 1 1 205 205 ARG HA H 205 4.270 4.270 4.340 -0.070 17717 2975 1 3 . 1 1 205 205 ARG CA C 205 56.384 56.384 55.194 1.190 17717 2976 1 3 . 1 1 205 205 ARG CB C 205 29.193 29.193 29.775 -0.582 17717 2977 1 3 . 1 1 205 205 ARG H H 205 8.350 8.350 8.511 -0.161 17717 2978 1 3 . 1 1 206 206 PRO CA C 206 62.600 62.600 63.810 -1.210 17717 2979 1 3 . 1 1 206 206 PRO CB C 206 31.400 31.400 30.288 1.111 17717 2980 1 3 . 1 1 207 207 ALA N N 207 125.400 125.400 125.016 0.384 17717 2981 1 3 . 1 1 207 207 ALA HA H 207 4.308 4.308 4.327 -0.019 17717 2982 1 3 . 1 1 207 207 ALA CA C 207 51.700 51.700 53.428 -1.728 17717 2983 1 3 . 1 1 207 207 ALA CB C 207 18.200 18.200 19.490 -1.290 17717 2984 1 3 . 1 1 207 207 ALA H H 207 8.400 8.400 8.280 0.120 17717 2985 1 3 . 1 1 208 208 LEU N N 208 121.680 121.680 121.630 0.050 17717 2986 1 3 . 1 1 208 208 LEU HA H 208 4.480 4.480 4.283 0.197 17717 2987 1 3 . 1 1 208 208 LEU CA C 208 55.100 55.100 56.686 -1.586 17717 2988 1 3 . 1 1 208 208 LEU CB C 208 41.200 41.200 42.832 -1.632 17717 2989 1 3 . 1 1 208 208 LEU H H 208 8.180 8.180 7.692 0.488 17717 2990 1 3 . 1 1 209 209 GLU N N 209 121.147 121.147 119.824 1.323 17717 2991 1 3 . 1 1 209 209 GLU HA H 209 4.180 4.180 3.906 0.274 17717 2992 1 3 . 1 1 209 209 GLU CA C 209 56.477 56.477 59.518 -3.041 17717 2993 1 3 . 1 1 209 209 GLU CB C 209 29.250 29.250 28.844 0.406 17717 2994 1 3 . 1 1 209 209 GLU H H 209 8.380 8.380 8.585 -0.205 17717 2995 1 3 . 1 1 210 210 ASP N N 210 121.147 121.147 119.027 2.120 17717 2996 1 3 . 1 1 210 210 ASP HA H 210 4.260 4.260 4.631 -0.371 17717 2997 1 3 . 1 1 210 210 ASP CA C 210 55.000 55.000 57.102 -2.102 17717 2998 1 3 . 1 1 210 210 ASP CB C 210 37.200 37.200 40.870 -3.670 17717 2999 1 3 . 1 1 210 210 ASP H H 210 8.280 8.280 7.940 0.340 17717 3000 1 3 . 1 1 211 211 LEU N N 211 122.210 122.210 118.200 4.010 17717 3001 1 3 . 1 1 211 211 LEU HA H 211 4.220 4.220 4.084 0.136 17717 3002 1 3 . 1 1 211 211 LEU CA C 211 57.400 57.400 56.336 1.064 17717 3003 1 3 . 1 1 211 211 LEU CB C 211 39.430 39.430 41.583 -2.152 17717 3004 1 3 . 1 1 211 211 LEU H H 211 8.640 8.640 7.582 1.058 17717 3005 1 3 . 1 1 212 212 ARG N N 212 119.550 119.550 117.948 1.602 17717 3006 1 3 . 1 1 212 212 ARG HA H 212 4.220 4.220 3.945 0.275 17717 3007 1 3 . 1 1 212 212 ARG CA C 212 57.400 57.400 58.600 -1.200 17717 3008 1 3 . 1 1 212 212 ARG CB C 212 29.600 29.600 30.666 -1.065 17717 3009 1 3 . 1 1 212 212 ARG H H 212 7.910 7.910 7.577 0.333 17717 3010 1 3 . 1 1 213 213 HIS CA C 213 56.200 56.200 56.895 -0.695 17717 3011 1 3 . 1 1 213 213 HIS CB C 213 31.900 31.900 30.292 1.608 17717 3012 1 3 . 1 1 214 214 SER N N 214 116.366 116.366 117.642 -1.276 17717 3013 1 3 . 1 1 214 214 SER HA H 214 4.265 4.265 4.411 -0.146 17717 3014 1 3 . 1 1 214 214 SER CA C 214 61.100 61.100 58.700 2.400 17717 3015 1 3 . 1 1 214 214 SER CB C 214 63.100 63.100 61.481 1.619 17717 3016 1 3 . 1 1 214 214 SER H H 214 8.140 8.140 7.129 1.011 17717 3017 1 3 . 1 1 215 215 LEU N N 215 130.565 130.565 124.618 5.947 17717 3018 1 3 . 1 1 215 215 LEU HA H 215 4.730 4.730 4.705 0.025 17717 3019 1 3 . 1 1 215 215 LEU CA C 215 54.900 54.900 53.917 0.983 17717 3020 1 3 . 1 1 215 215 LEU CB C 215 42.000 42.000 45.445 -3.445 17717 3021 1 3 . 1 1 215 215 LEU H H 215 7.890 7.890 7.641 0.249 17717 3022 1 4 . 1 1 2 2 GLU N N 2 121.678 121.678 119.029 2.649 17717 3023 1 4 . 1 1 2 2 GLU HA H 2 4.488 4.488 4.383 0.105 17717 3024 1 4 . 1 1 2 2 GLU CA C 2 56.418 56.418 56.980 -0.562 17717 3025 1 4 . 1 1 2 2 GLU CB C 2 29.014 29.014 29.903 -0.889 17717 3026 1 4 . 1 1 2 2 GLU H H 2 8.276 8.276 8.340 -0.064 17717 3027 1 4 . 1 1 3 3 PRO CA C 3 62.923 62.923 63.949 -1.026 17717 3028 1 4 . 1 1 3 3 PRO CB C 3 31.547 31.547 30.145 1.402 17717 3029 1 4 . 1 1 4 4 GLN N N 4 121.147 121.147 121.164 -0.017 17717 3030 1 4 . 1 1 4 4 GLN HA H 4 4.349 4.349 4.473 -0.124 17717 3031 1 4 . 1 1 4 4 GLN CA C 4 55.450 55.450 55.594 -0.144 17717 3032 1 4 . 1 1 4 4 GLN CB C 4 28.854 28.854 30.972 -2.118 17717 3033 1 4 . 1 1 4 4 GLN H H 4 8.500 8.500 8.217 0.283 17717 3034 1 4 . 1 1 5 5 SER N N 5 117.429 117.429 113.714 3.715 17717 3035 1 4 . 1 1 5 5 SER HA H 5 4.329 4.329 3.622 0.707 17717 3036 1 4 . 1 1 5 5 SER CA C 5 58.100 58.100 57.385 0.716 17717 3037 1 4 . 1 1 5 5 SER CB C 5 63.485 63.485 64.082 -0.597 17717 3038 1 4 . 1 1 5 5 SER H H 5 8.370 8.370 8.416 -0.046 17717 3039 1 4 . 1 1 6 6 GLN N N 6 123.803 123.803 121.810 1.993 17717 3040 1 4 . 1 1 6 6 GLN CA C 6 56.330 56.330 58.054 -1.724 17717 3041 1 4 . 1 1 6 6 GLN CB C 6 28.800 28.800 28.965 -0.165 17717 3042 1 4 . 1 1 6 6 GLN H H 6 8.620 8.620 8.203 0.417 17717 3043 1 4 . 1 1 7 7 TRP N N 7 119.022 119.022 118.617 0.405 17717 3044 1 4 . 1 1 7 7 TRP HA H 7 4.394 4.394 4.336 0.058 17717 3045 1 4 . 1 1 7 7 TRP CA C 7 59.800 59.800 60.656 -0.856 17717 3046 1 4 . 1 1 7 7 TRP CB C 7 27.800 27.800 28.104 -0.304 17717 3047 1 4 . 1 1 7 7 TRP H H 7 7.970 7.970 8.666 -0.696 17717 3048 1 4 . 1 1 8 8 ASP N N 8 121.678 121.678 120.006 1.672 17717 3049 1 4 . 1 1 8 8 ASP HA H 8 4.409 4.409 4.278 0.131 17717 3050 1 4 . 1 1 8 8 ASP CA C 8 56.912 56.912 57.089 -0.177 17717 3051 1 4 . 1 1 8 8 ASP CB C 8 38.400 38.400 40.252 -1.852 17717 3052 1 4 . 1 1 8 8 ASP H H 8 8.440 8.440 7.390 1.050 17717 3053 1 4 . 1 1 9 9 LYS N N 9 120.616 120.616 120.732 -0.116 17717 3054 1 4 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.106 -0.016 17717 3055 1 4 . 1 1 9 9 LYS CA C 9 58.277 58.277 58.665 -0.388 17717 3056 1 4 . 1 1 9 9 LYS CB C 9 31.550 31.550 32.033 -0.483 17717 3057 1 4 . 1 1 9 9 LYS H H 9 7.830 7.830 7.164 0.666 17717 3058 1 4 . 1 1 10 10 VAL N N 10 118.491 118.491 116.039 2.452 17717 3059 1 4 . 1 1 10 10 VAL HA H 10 3.830 3.830 4.210 -0.380 17717 3060 1 4 . 1 1 10 10 VAL CA C 10 65.630 65.630 66.690 -1.060 17717 3061 1 4 . 1 1 10 10 VAL CB C 10 31.300 31.300 31.357 -0.057 17717 3062 1 4 . 1 1 10 10 VAL H H 10 7.160 7.160 8.274 -1.114 17717 3063 1 4 . 1 1 11 11 LYS N N 11 122.210 122.210 119.117 3.093 17717 3064 1 4 . 1 1 11 11 LYS HA H 11 3.880 3.880 3.915 -0.035 17717 3065 1 4 . 1 1 11 11 LYS CA C 11 59.460 59.460 59.339 0.121 17717 3066 1 4 . 1 1 11 11 LYS CB C 11 31.200 31.200 32.062 -0.862 17717 3067 1 4 . 1 1 11 11 LYS H H 11 8.660 8.660 7.736 0.924 17717 3068 1 4 . 1 1 12 12 ASP N N 12 119.553 119.553 120.325 -0.772 17717 3069 1 4 . 1 1 12 12 ASP HA H 12 4.140 4.140 4.416 -0.276 17717 3070 1 4 . 1 1 12 12 ASP CA C 12 57.381 57.381 57.440 -0.059 17717 3071 1 4 . 1 1 12 12 ASP CB C 12 39.800 39.800 40.901 -1.101 17717 3072 1 4 . 1 1 12 12 ASP H H 12 7.790 7.790 7.889 -0.099 17717 3073 1 4 . 1 1 13 13 PHE N N 13 116.500 116.500 118.683 -2.183 17717 3074 1 4 . 1 1 13 13 PHE HA H 13 4.690 4.690 4.206 0.484 17717 3075 1 4 . 1 1 13 13 PHE CA C 13 58.662 58.662 60.358 -1.696 17717 3076 1 4 . 1 1 13 13 PHE CB C 13 38.700 38.700 38.034 0.666 17717 3077 1 4 . 1 1 13 13 PHE H H 13 7.680 7.680 7.759 -0.079 17717 3078 1 4 . 1 1 14 14 ALA N N 14 122.209 122.209 122.614 -0.405 17717 3079 1 4 . 1 1 14 14 ALA HA H 14 4.008 4.008 3.741 0.267 17717 3080 1 4 . 1 1 14 14 ALA CA C 14 54.550 54.550 54.738 -0.188 17717 3081 1 4 . 1 1 14 14 ALA CB C 14 17.250 17.250 17.951 -0.701 17717 3082 1 4 . 1 1 14 14 ALA H H 14 8.760 8.760 7.419 1.341 17717 3083 1 4 . 1 1 15 15 ASN N N 15 119.553 119.553 115.456 4.097 17717 3084 1 4 . 1 1 15 15 ASN HA H 15 4.520 4.520 4.402 0.118 17717 3085 1 4 . 1 1 15 15 ASN CA C 15 56.084 56.084 55.083 1.001 17717 3086 1 4 . 1 1 15 15 ASN CB C 15 38.544 38.544 38.647 -0.103 17717 3087 1 4 . 1 1 15 15 ASN H H 15 8.930 8.930 7.528 1.402 17717 3088 1 4 . 1 1 16 16 VAL N N 16 116.897 116.897 121.570 -4.673 17717 3089 1 4 . 1 1 16 16 VAL HA H 16 3.590 3.590 3.627 -0.037 17717 3090 1 4 . 1 1 16 16 VAL CA C 16 64.600 64.600 67.813 -3.213 17717 3091 1 4 . 1 1 16 16 VAL CB C 16 31.800 31.800 31.741 0.059 17717 3092 1 4 . 1 1 16 16 VAL H H 16 7.870 7.870 7.484 0.386 17717 3093 1 4 . 1 1 17 17 TYR N N 17 112.116 112.116 118.171 -6.055 17717 3094 1 4 . 1 1 17 17 TYR HA H 17 4.751 4.751 4.320 0.431 17717 3095 1 4 . 1 1 17 17 TYR CA C 17 59.040 59.040 60.892 -1.852 17717 3096 1 4 . 1 1 17 17 TYR CB C 17 39.060 39.060 37.220 1.840 17717 3097 1 4 . 1 1 17 17 TYR H H 17 8.000 8.000 8.266 -0.266 17717 3098 1 4 . 1 1 18 18 VAL N N 18 114.241 114.241 120.615 -6.374 17717 3099 1 4 . 1 1 18 18 VAL HA H 18 4.220 4.220 3.386 0.834 17717 3100 1 4 . 1 1 18 18 VAL CA C 18 63.520 63.520 66.538 -3.018 17717 3101 1 4 . 1 1 18 18 VAL CB C 18 31.128 31.128 31.349 -0.221 17717 3102 1 4 . 1 1 18 18 VAL H H 18 7.600 7.600 6.806 0.794 17717 3103 1 4 . 1 1 19 19 ASP N N 19 123.272 123.272 119.947 3.325 17717 3104 1 4 . 1 1 19 19 ASP HA H 19 4.523 4.523 4.325 0.198 17717 3105 1 4 . 1 1 19 19 ASP CA C 19 56.445 56.445 57.248 -0.803 17717 3106 1 4 . 1 1 19 19 ASP CB C 19 38.700 38.700 40.813 -2.113 17717 3107 1 4 . 1 1 19 19 ASP H H 19 8.890 8.890 8.120 0.770 17717 3108 1 4 . 1 1 20 20 ALA N N 20 118.491 118.491 122.780 -4.289 17717 3109 1 4 . 1 1 20 20 ALA HA H 20 4.230 4.230 4.237 -0.007 17717 3110 1 4 . 1 1 20 20 ALA CA C 20 54.100 54.100 55.383 -1.283 17717 3111 1 4 . 1 1 20 20 ALA CB C 20 18.760 18.760 18.896 -0.136 17717 3112 1 4 . 1 1 20 20 ALA H H 20 6.630 6.630 7.601 -0.971 17717 3113 1 4 . 1 1 21 21 VAL N N 21 116.897 116.897 116.116 0.781 17717 3114 1 4 . 1 1 21 21 VAL HA H 21 3.664 3.664 3.761 -0.097 17717 3115 1 4 . 1 1 21 21 VAL CA C 21 66.200 66.200 65.329 0.871 17717 3116 1 4 . 1 1 21 21 VAL CB C 21 30.460 30.460 31.217 -0.757 17717 3117 1 4 . 1 1 21 21 VAL H H 21 7.410 7.410 7.697 -0.287 17717 3118 1 4 . 1 1 22 22 LYS N N 22 121.147 121.147 120.594 0.553 17717 3119 1 4 . 1 1 22 22 LYS HA H 22 4.222 4.222 4.030 0.192 17717 3120 1 4 . 1 1 22 22 LYS CA C 22 59.300 59.300 59.346 -0.046 17717 3121 1 4 . 1 1 22 22 LYS CB C 22 31.100 31.100 31.961 -0.861 17717 3122 1 4 . 1 1 22 22 LYS H H 22 8.180 8.180 8.277 -0.097 17717 3123 1 4 . 1 1 23 23 ASP N N 23 121.278 121.278 119.095 2.183 17717 3124 1 4 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.483 0.083 17717 3125 1 4 . 1 1 23 23 ASP CA C 23 56.300 56.300 57.206 -0.906 17717 3126 1 4 . 1 1 23 23 ASP CB C 23 38.800 38.800 40.822 -2.022 17717 3127 1 4 . 1 1 23 23 ASP H H 23 8.860 8.860 7.921 0.939 17717 3128 1 4 . 1 1 24 24 SER N N 24 118.491 118.491 114.852 3.639 17717 3129 1 4 . 1 1 24 24 SER HA H 24 4.132 4.132 3.912 0.220 17717 3130 1 4 . 1 1 24 24 SER CA C 24 61.600 61.600 60.499 1.101 17717 3131 1 4 . 1 1 24 24 SER CB C 24 62.442 62.442 62.167 0.275 17717 3132 1 4 . 1 1 24 24 SER H H 24 7.950 7.950 8.037 -0.087 17717 3133 1 4 . 1 1 25 25 GLY N N 25 108.377 108.377 110.941 -2.564 17717 3134 1 4 . 1 1 25 25 GLY CA C 25 44.400 44.400 46.702 -2.301 17717 3135 1 4 . 1 1 25 25 GLY H H 25 7.560 7.560 7.730 -0.170 17717 3136 1 4 . 1 1 26 26 ARG N N 26 124.240 124.240 121.632 2.608 17717 3137 1 4 . 1 1 26 26 ARG HA H 26 4.303 4.303 4.144 0.159 17717 3138 1 4 . 1 1 26 26 ARG CA C 26 54.000 54.000 58.584 -4.584 17717 3139 1 4 . 1 1 26 26 ARG CB C 26 28.240 28.240 29.847 -1.607 17717 3140 1 4 . 1 1 26 26 ARG H H 26 8.200 8.200 7.754 0.446 17717 3141 1 4 . 1 1 27 27 ASP N N 27 121.678 121.678 118.998 2.680 17717 3142 1 4 . 1 1 27 27 ASP HA H 27 4.211 4.211 4.539 -0.328 17717 3143 1 4 . 1 1 27 27 ASP CA C 27 58.380 58.380 57.233 1.147 17717 3144 1 4 . 1 1 27 27 ASP CB C 27 40.400 40.400 41.636 -1.236 17717 3145 1 4 . 1 1 27 27 ASP H H 27 7.880 7.880 7.702 0.178 17717 3146 1 4 . 1 1 28 28 TYR N N 28 121.440 121.440 122.275 -0.835 17717 3147 1 4 . 1 1 28 28 TYR HA H 28 4.480 4.480 4.795 -0.315 17717 3148 1 4 . 1 1 28 28 TYR CA C 28 57.800 57.800 60.158 -2.358 17717 3149 1 4 . 1 1 28 28 TYR CB C 28 38.322 38.322 38.792 -0.470 17717 3150 1 4 . 1 1 28 28 TYR H H 28 8.020 8.020 8.267 -0.247 17717 3151 1 4 . 1 1 29 29 VAL N N 29 123.272 123.272 118.489 4.783 17717 3152 1 4 . 1 1 29 29 VAL HA H 29 4.040 4.040 3.580 0.460 17717 3153 1 4 . 1 1 29 29 VAL CA C 29 66.400 66.400 64.726 1.674 17717 3154 1 4 . 1 1 29 29 VAL CB C 29 30.500 30.500 30.991 -0.492 17717 3155 1 4 . 1 1 29 29 VAL H H 29 8.280 8.280 8.227 0.053 17717 3156 1 4 . 1 1 30 30 SER N N 30 117.429 117.429 116.285 1.144 17717 3157 1 4 . 1 1 30 30 SER HA H 30 4.000 4.000 4.117 -0.117 17717 3158 1 4 . 1 1 30 30 SER CA C 30 61.070 61.070 61.640 -0.570 17717 3159 1 4 . 1 1 30 30 SER CB C 30 62.000 62.000 62.752 -0.752 17717 3160 1 4 . 1 1 30 30 SER H H 30 8.930 8.930 7.585 1.345 17717 3161 1 4 . 1 1 31 31 GLN N N 31 121.147 121.147 121.199 -0.052 17717 3162 1 4 . 1 1 31 31 GLN HA H 31 4.136 4.136 4.037 0.099 17717 3163 1 4 . 1 1 31 31 GLN CA C 31 58.210 58.210 58.460 -0.250 17717 3164 1 4 . 1 1 31 31 GLN CB C 31 27.600 27.600 28.327 -0.727 17717 3165 1 4 . 1 1 31 31 GLN H H 31 7.740 7.740 7.447 0.293 17717 3166 1 4 . 1 1 32 32 PHE N N 32 117.429 117.429 119.637 -2.208 17717 3167 1 4 . 1 1 32 32 PHE HA H 32 4.020 4.020 3.924 0.096 17717 3168 1 4 . 1 1 32 32 PHE CA C 32 60.600 60.600 60.878 -0.278 17717 3169 1 4 . 1 1 32 32 PHE CB C 32 36.896 36.896 38.571 -1.675 17717 3170 1 4 . 1 1 32 32 PHE H H 32 7.200 7.200 7.546 -0.346 17717 3171 1 4 . 1 1 33 33 GLU N N 33 122.210 122.210 118.111 4.099 17717 3172 1 4 . 1 1 33 33 GLU HA H 33 4.769 4.769 3.551 1.218 17717 3173 1 4 . 1 1 33 33 GLU CA C 33 59.220 59.220 58.775 0.445 17717 3174 1 4 . 1 1 33 33 GLU CB C 33 29.240 29.240 29.043 0.197 17717 3175 1 4 . 1 1 33 33 GLU H H 33 8.160 8.160 7.676 0.484 17717 3176 1 4 . 1 1 34 34 SER N N 34 109.991 109.991 113.538 -3.547 17717 3177 1 4 . 1 1 34 34 SER HA H 34 4.309 4.309 4.246 0.063 17717 3178 1 4 . 1 1 34 34 SER CA C 34 58.240 58.240 60.499 -2.259 17717 3179 1 4 . 1 1 34 34 SER CB C 34 63.260 63.260 62.837 0.423 17717 3180 1 4 . 1 1 34 34 SER H H 34 7.890 7.890 7.358 0.532 17717 3181 1 4 . 1 1 35 35 SER N N 35 120.085 120.085 118.813 1.272 17717 3182 1 4 . 1 1 35 35 SER HA H 35 4.354 4.354 4.094 0.260 17717 3183 1 4 . 1 1 35 35 SER CA C 35 58.100 58.100 61.725 -3.625 17717 3184 1 4 . 1 1 35 35 SER CB C 35 64.398 64.398 62.766 1.632 17717 3185 1 4 . 1 1 35 35 SER H H 35 7.420 7.420 8.205 -0.785 17717 3186 1 4 . 1 1 36 36 SER N N 36 116.130 116.130 118.723 -2.593 17717 3187 1 4 . 1 1 36 36 SER HA H 36 4.350 4.350 4.104 0.246 17717 3188 1 4 . 1 1 36 36 SER CA C 36 58.600 58.600 61.815 -3.215 17717 3189 1 4 . 1 1 36 36 SER CB C 36 63.370 63.370 62.769 0.601 17717 3190 1 4 . 1 1 36 36 SER H H 36 8.100 8.100 7.514 0.586 17717 3191 1 4 . 1 1 37 37 LEU N N 37 121.678 121.678 121.584 0.094 17717 3192 1 4 . 1 1 37 37 LEU HA H 37 4.222 4.222 4.077 0.145 17717 3193 1 4 . 1 1 37 37 LEU CA C 37 56.400 56.400 57.063 -0.663 17717 3194 1 4 . 1 1 37 37 LEU CB C 37 41.200 41.200 41.810 -0.610 17717 3195 1 4 . 1 1 37 37 LEU H H 37 8.290 8.290 7.394 0.896 17717 3196 1 4 . 1 1 38 38 GLY N N 38 108.400 108.400 104.628 3.772 17717 3197 1 4 . 1 1 38 38 GLY CA C 38 46.220 46.220 46.482 -0.262 17717 3198 1 4 . 1 1 38 38 GLY H H 38 7.280 7.280 8.074 -0.794 17717 3199 1 4 . 1 1 39 39 GLN N N 39 120.920 120.920 122.438 -1.518 17717 3200 1 4 . 1 1 39 39 GLN HA H 39 4.092 4.092 4.063 0.029 17717 3201 1 4 . 1 1 39 39 GLN CA C 39 57.423 57.423 58.846 -1.423 17717 3202 1 4 . 1 1 39 39 GLN CB C 39 28.847 28.847 28.559 0.288 17717 3203 1 4 . 1 1 39 39 GLN H H 39 8.360 8.360 7.886 0.474 17717 3204 1 4 . 1 1 40 40 GLN N N 40 118.648 118.648 118.997 -0.349 17717 3205 1 4 . 1 1 40 40 GLN HA H 40 4.040 4.040 4.112 -0.072 17717 3206 1 4 . 1 1 40 40 GLN CA C 40 57.471 57.471 58.523 -1.052 17717 3207 1 4 . 1 1 40 40 GLN CB C 40 28.777 28.777 28.451 0.326 17717 3208 1 4 . 1 1 40 40 GLN H H 40 7.630 7.630 7.690 -0.060 17717 3209 1 4 . 1 1 41 41 LEU N N 41 116.800 116.800 121.886 -5.086 17717 3210 1 4 . 1 1 41 41 LEU HA H 41 4.222 4.222 3.974 0.248 17717 3211 1 4 . 1 1 41 41 LEU CA C 41 55.400 55.400 58.134 -2.734 17717 3212 1 4 . 1 1 41 41 LEU CB C 41 41.754 41.754 41.999 -0.245 17717 3213 1 4 . 1 1 41 41 LEU H H 41 8.010 8.010 7.896 0.114 17717 3214 1 4 . 1 1 42 42 ASN N N 42 115.840 115.840 117.507 -1.667 17717 3215 1 4 . 1 1 42 42 ASN HA H 42 4.485 4.485 4.425 0.060 17717 3216 1 4 . 1 1 42 42 ASN CA C 42 53.500 53.500 56.252 -2.752 17717 3217 1 4 . 1 1 42 42 ASN CB C 42 37.000 37.000 38.632 -1.632 17717 3218 1 4 . 1 1 42 42 ASN H H 42 7.840 7.840 7.774 0.066 17717 3219 1 4 . 1 1 43 43 LEU N N 43 118.490 118.490 120.653 -2.163 17717 3220 1 4 . 1 1 43 43 LEU HA H 43 4.480 4.480 4.364 0.116 17717 3221 1 4 . 1 1 43 43 LEU CA C 43 55.502 55.502 57.855 -2.353 17717 3222 1 4 . 1 1 43 43 LEU CB C 43 41.200 41.200 41.348 -0.148 17717 3223 1 4 . 1 1 43 43 LEU H H 43 9.670 9.670 7.982 1.688 17717 3224 1 4 . 1 1 44 44 ASN N N 44 119.553 119.553 117.021 2.532 17717 3225 1 4 . 1 1 44 44 ASN HA H 44 4.520 4.520 4.467 0.053 17717 3226 1 4 . 1 1 44 44 ASN CA C 44 52.770 52.770 56.456 -3.686 17717 3227 1 4 . 1 1 44 44 ASN CB C 44 36.200 36.200 38.530 -2.330 17717 3228 1 4 . 1 1 44 44 ASN H H 44 8.950 8.950 8.052 0.898 17717 3229 1 4 . 1 1 45 45 LEU N N 45 119.553 119.553 118.484 1.069 17717 3230 1 4 . 1 1 45 45 LEU HA H 45 4.048 4.048 4.217 -0.169 17717 3231 1 4 . 1 1 45 45 LEU CA C 45 55.569 55.569 57.910 -2.341 17717 3232 1 4 . 1 1 45 45 LEU CB C 45 41.250 41.250 41.651 -0.402 17717 3233 1 4 . 1 1 45 45 LEU H H 45 8.970 8.970 7.761 1.209 17717 3234 1 4 . 1 1 46 46 LEU N N 46 116.900 116.900 119.479 -2.579 17717 3235 1 4 . 1 1 46 46 LEU HA H 46 4.351 4.351 4.207 0.144 17717 3236 1 4 . 1 1 46 46 LEU CA C 46 54.684 54.684 57.886 -3.202 17717 3237 1 4 . 1 1 46 46 LEU CB C 46 39.800 39.800 42.400 -2.600 17717 3238 1 4 . 1 1 46 46 LEU H H 46 8.450 8.450 7.217 1.233 17717 3239 1 4 . 1 1 47 47 GLU N N 47 122.741 122.741 119.284 3.457 17717 3240 1 4 . 1 1 47 47 GLU HA H 47 4.018 4.018 3.932 0.086 17717 3241 1 4 . 1 1 47 47 GLU CA C 47 58.280 58.280 59.869 -1.589 17717 3242 1 4 . 1 1 47 47 GLU CB C 47 28.800 28.800 29.354 -0.554 17717 3243 1 4 . 1 1 47 47 GLU H H 47 7.490 7.490 8.096 -0.606 17717 3244 1 4 . 1 1 48 48 ASN N N 48 117.200 117.200 118.234 -1.034 17717 3245 1 4 . 1 1 48 48 ASN HA H 48 4.300 4.300 4.465 -0.165 17717 3246 1 4 . 1 1 48 48 ASN CA C 48 53.550 53.550 55.910 -2.360 17717 3247 1 4 . 1 1 48 48 ASN CB C 48 38.490 38.490 38.435 0.055 17717 3248 1 4 . 1 1 48 48 ASN H H 48 8.450 8.450 8.543 -0.093 17717 3249 1 4 . 1 1 49 49 TRP N N 49 119.320 119.320 119.185 0.135 17717 3250 1 4 . 1 1 49 49 TRP HA H 49 4.300 4.300 4.548 -0.248 17717 3251 1 4 . 1 1 49 49 TRP CA C 49 56.200 56.200 59.770 -3.570 17717 3252 1 4 . 1 1 49 49 TRP CB C 49 27.800 27.800 29.717 -1.917 17717 3253 1 4 . 1 1 49 49 TRP H H 49 8.050 8.050 7.564 0.486 17717 3254 1 4 . 1 1 50 50 ASP N N 50 124.860 124.860 117.337 7.523 17717 3255 1 4 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.386 0.304 17717 3256 1 4 . 1 1 50 50 ASP CA C 50 54.180 54.180 56.512 -2.332 17717 3257 1 4 . 1 1 50 50 ASP CB C 50 40.318 40.318 41.415 -1.097 17717 3258 1 4 . 1 1 50 50 ASP H H 50 8.470 8.470 7.638 0.832 17717 3259 1 4 . 1 1 51 51 THR N N 51 114.240 114.240 108.550 5.690 17717 3260 1 4 . 1 1 51 51 THR HA H 51 4.250 4.250 4.398 -0.148 17717 3261 1 4 . 1 1 51 51 THR CA C 51 61.800 61.800 61.379 0.421 17717 3262 1 4 . 1 1 51 51 THR CB C 51 69.000 69.000 70.238 -1.238 17717 3263 1 4 . 1 1 51 51 THR H H 51 7.920 7.920 7.905 0.015 17717 3264 1 4 . 1 1 52 52 LEU N N 52 124.335 124.335 122.525 1.810 17717 3265 1 4 . 1 1 52 52 LEU HA H 52 4.261 4.261 4.079 0.182 17717 3266 1 4 . 1 1 52 52 LEU CA C 52 54.800 54.800 56.226 -1.426 17717 3267 1 4 . 1 1 52 52 LEU CB C 52 41.200 41.200 41.354 -0.154 17717 3268 1 4 . 1 1 52 52 LEU H H 52 8.000 8.000 8.165 -0.165 17717 3269 1 4 . 1 1 53 53 GLY N N 53 109.991 109.991 110.945 -0.954 17717 3270 1 4 . 1 1 53 53 GLY CA C 53 44.700 44.700 44.768 -0.068 17717 3271 1 4 . 1 1 53 53 GLY H H 53 8.450 8.450 8.037 0.413 17717 3272 1 4 . 1 1 54 54 SER N N 54 113.710 113.710 116.691 -2.981 17717 3273 1 4 . 1 1 54 54 SER HA H 54 4.480 4.480 4.601 -0.121 17717 3274 1 4 . 1 1 54 54 SER CA C 54 57.300 57.300 59.376 -2.075 17717 3275 1 4 . 1 1 54 54 SER CB C 54 63.100 63.100 63.734 -0.634 17717 3276 1 4 . 1 1 54 54 SER H H 54 8.060 8.060 7.991 0.069 17717 3277 1 4 . 1 1 55 55 THR N N 55 116.897 116.897 120.600 -3.703 17717 3278 1 4 . 1 1 55 55 THR HA H 55 4.044 4.044 4.602 -0.558 17717 3279 1 4 . 1 1 55 55 THR CA C 55 61.700 61.700 61.202 0.498 17717 3280 1 4 . 1 1 55 55 THR CB C 55 69.800 69.800 70.609 -0.809 17717 3281 1 4 . 1 1 55 55 THR H H 55 8.210 8.210 8.153 0.057 17717 3282 1 4 . 1 1 56 56 VAL N N 56 123.300 123.300 117.426 5.874 17717 3283 1 4 . 1 1 56 56 VAL HA H 56 3.793 3.793 4.561 -0.768 17717 3284 1 4 . 1 1 56 56 VAL CA C 56 66.384 66.384 60.298 6.085 17717 3285 1 4 . 1 1 56 56 VAL CB C 56 30.268 30.268 31.505 -1.237 17717 3286 1 4 . 1 1 56 56 VAL H H 56 8.280 8.280 8.171 0.109 17717 3287 1 4 . 1 1 57 57 SER N N 57 117.429 117.429 116.593 0.836 17717 3288 1 4 . 1 1 57 57 SER HA H 57 4.136 4.136 4.162 -0.026 17717 3289 1 4 . 1 1 57 57 SER CA C 57 61.100 61.100 61.101 -0.001 17717 3290 1 4 . 1 1 57 57 SER CB C 57 62.800 62.800 63.284 -0.484 17717 3291 1 4 . 1 1 57 57 SER H H 57 7.850 7.850 8.619 -0.769 17717 3292 1 4 . 1 1 58 58 GLN N N 58 128.580 128.580 114.305 14.275 17717 3293 1 4 . 1 1 58 58 GLN HA H 58 4.260 4.260 4.405 -0.145 17717 3294 1 4 . 1 1 58 58 GLN CA C 58 56.642 56.642 57.204 -0.562 17717 3295 1 4 . 1 1 58 58 GLN CB C 58 29.023 29.023 28.902 0.121 17717 3296 1 4 . 1 1 58 58 GLN H H 58 7.990 7.990 8.063 -0.073 17717 3297 1 4 . 1 1 59 59 LEU N N 59 122.210 122.210 119.642 2.568 17717 3298 1 4 . 1 1 59 59 LEU HA H 59 4.310 4.310 4.114 0.196 17717 3299 1 4 . 1 1 59 59 LEU CA C 59 55.300 55.300 58.639 -3.339 17717 3300 1 4 . 1 1 59 59 LEU CB C 59 41.160 41.160 40.979 0.181 17717 3301 1 4 . 1 1 59 59 LEU H H 59 8.050 8.050 8.230 -0.180 17717 3302 1 4 . 1 1 60 60 GLN N N 60 120.085 120.085 118.441 1.644 17717 3303 1 4 . 1 1 60 60 GLN HA H 60 4.222 4.222 4.054 0.168 17717 3304 1 4 . 1 1 60 60 GLN CA C 60 55.960 55.960 59.205 -3.245 17717 3305 1 4 . 1 1 60 60 GLN CB C 60 27.900 27.900 28.245 -0.345 17717 3306 1 4 . 1 1 60 60 GLN H H 60 8.210 8.210 8.531 -0.321 17717 3307 1 4 . 1 1 61 61 GLU N N 61 120.920 120.920 118.934 1.986 17717 3308 1 4 . 1 1 61 61 GLU HA H 61 4.216 4.216 3.984 0.232 17717 3309 1 4 . 1 1 61 61 GLU CA C 61 56.900 56.900 59.309 -2.409 17717 3310 1 4 . 1 1 61 61 GLU CB C 61 28.500 28.500 29.416 -0.916 17717 3311 1 4 . 1 1 61 61 GLU H H 61 8.590 8.590 8.508 0.082 17717 3312 1 4 . 1 1 62 62 ARG N N 62 118.833 118.833 117.811 1.022 17717 3313 1 4 . 1 1 62 62 ARG HA H 62 4.161 4.161 4.221 -0.060 17717 3314 1 4 . 1 1 62 62 ARG CA C 62 58.030 58.030 58.255 -0.225 17717 3315 1 4 . 1 1 62 62 ARG CB C 62 29.400 29.400 30.425 -1.025 17717 3316 1 4 . 1 1 62 62 ARG H H 62 7.680 7.680 8.311 -0.631 17717 3317 1 4 . 1 1 63 63 LEU N N 63 118.790 118.790 120.802 -2.012 17717 3318 1 4 . 1 1 63 63 LEU HA H 63 4.100 4.100 4.078 0.022 17717 3319 1 4 . 1 1 63 63 LEU CA C 63 56.360 56.360 57.527 -1.167 17717 3320 1 4 . 1 1 63 63 LEU CB C 63 41.130 41.130 41.368 -0.238 17717 3321 1 4 . 1 1 63 63 LEU H H 63 8.320 8.320 7.790 0.530 17717 3322 1 4 . 1 1 64 64 GLY N N 64 104.679 104.679 108.082 -3.403 17717 3323 1 4 . 1 1 64 64 GLY CA C 64 44.145 44.145 48.043 -3.898 17717 3324 1 4 . 1 1 64 64 GLY H H 64 7.220 7.220 8.373 -1.153 17717 3325 1 4 . 1 1 65 65 PRO CA C 65 62.817 62.817 64.789 -1.972 17717 3326 1 4 . 1 1 65 65 PRO CB C 65 31.290 31.290 31.393 -0.103 17717 3327 1 4 . 1 1 66 66 LEU N N 66 124.866 124.866 120.840 4.026 17717 3328 1 4 . 1 1 66 66 LEU HA H 66 4.609 4.609 4.162 0.447 17717 3329 1 4 . 1 1 66 66 LEU CA C 66 52.900 52.900 58.522 -5.622 17717 3330 1 4 . 1 1 66 66 LEU CB C 66 43.200 43.200 40.938 2.262 17717 3331 1 4 . 1 1 66 66 LEU H H 66 8.550 8.550 7.940 0.610 17717 3332 1 4 . 1 1 67 67 THR N N 67 112.116 112.116 113.002 -0.886 17717 3333 1 4 . 1 1 67 67 THR HA H 67 4.824 4.824 4.379 0.445 17717 3334 1 4 . 1 1 67 67 THR CA C 67 59.240 59.240 66.027 -6.787 17717 3335 1 4 . 1 1 67 67 THR CB C 67 71.550 71.550 68.984 2.566 17717 3336 1 4 . 1 1 67 67 THR H H 67 7.650 7.650 7.831 -0.181 17717 3337 1 4 . 1 1 68 68 ARG N N 68 120.085 120.085 119.753 0.332 17717 3338 1 4 . 1 1 68 68 ARG HA H 68 4.230 4.230 3.991 0.239 17717 3339 1 4 . 1 1 68 68 ARG CA C 68 58.600 58.600 59.135 -0.534 17717 3340 1 4 . 1 1 68 68 ARG CB C 68 28.900 28.900 29.867 -0.967 17717 3341 1 4 . 1 1 68 68 ARG H H 68 8.950 8.950 7.505 1.445 17717 3342 1 4 . 1 1 69 69 ASP N N 69 116.366 116.366 119.951 -3.585 17717 3343 1 4 . 1 1 69 69 ASP HA H 69 4.249 4.249 4.328 -0.079 17717 3344 1 4 . 1 1 69 69 ASP CA C 69 56.100 56.100 58.653 -2.553 17717 3345 1 4 . 1 1 69 69 ASP CB C 69 39.550 39.550 40.712 -1.162 17717 3346 1 4 . 1 1 69 69 ASP H H 69 8.100 8.100 7.822 0.278 17717 3347 1 4 . 1 1 70 70 PHE N N 70 119.553 119.553 118.810 0.743 17717 3348 1 4 . 1 1 70 70 PHE HA H 70 4.090 4.090 3.978 0.112 17717 3349 1 4 . 1 1 70 70 PHE CA C 70 60.700 60.700 59.324 1.376 17717 3350 1 4 . 1 1 70 70 PHE CB C 70 38.100 38.100 37.706 0.394 17717 3351 1 4 . 1 1 70 70 PHE H H 70 7.420 7.420 7.161 0.259 17717 3352 1 4 . 1 1 71 71 TRP N N 71 120.085 120.085 122.399 -2.314 17717 3353 1 4 . 1 1 71 71 TRP HA H 71 4.044 4.044 3.274 0.770 17717 3354 1 4 . 1 1 71 71 TRP CA C 71 58.100 58.100 61.592 -3.492 17717 3355 1 4 . 1 1 71 71 TRP CB C 71 28.100 28.100 28.727 -0.627 17717 3356 1 4 . 1 1 71 71 TRP H H 71 6.950 6.950 7.060 -0.110 17717 3357 1 4 . 1 1 72 72 ASP N N 72 121.450 121.450 117.589 3.861 17717 3358 1 4 . 1 1 72 72 ASP HA H 72 4.310 4.310 3.410 0.900 17717 3359 1 4 . 1 1 72 72 ASP CA C 72 55.350 55.350 56.729 -1.379 17717 3360 1 4 . 1 1 72 72 ASP CB C 72 40.000 40.000 40.413 -0.413 17717 3361 1 4 . 1 1 72 72 ASP H H 72 8.350 8.350 7.750 0.600 17717 3362 1 4 . 1 1 73 73 ASN N N 73 117.200 117.200 118.463 -1.263 17717 3363 1 4 . 1 1 73 73 ASN HA H 73 4.220 4.220 4.381 -0.161 17717 3364 1 4 . 1 1 73 73 ASN CA C 73 54.500 54.500 56.633 -2.133 17717 3365 1 4 . 1 1 73 73 ASN CB C 73 40.000 40.000 38.920 1.080 17717 3366 1 4 . 1 1 73 73 ASN H H 73 7.700 7.700 7.698 0.002 17717 3367 1 4 . 1 1 74 74 LEU N N 74 123.600 123.600 119.971 3.629 17717 3368 1 4 . 1 1 74 74 LEU HA H 74 4.350 4.350 4.410 -0.060 17717 3369 1 4 . 1 1 74 74 LEU CA C 74 54.700 54.700 57.783 -3.083 17717 3370 1 4 . 1 1 74 74 LEU CB C 74 41.400 41.400 42.232 -0.832 17717 3371 1 4 . 1 1 74 74 LEU H H 74 8.330 8.330 8.404 -0.074 17717 3372 1 4 . 1 1 75 75 GLU N N 75 121.400 121.400 120.606 0.794 17717 3373 1 4 . 1 1 75 75 GLU HA H 75 4.000 4.000 3.801 0.199 17717 3374 1 4 . 1 1 75 75 GLU CA C 75 58.200 58.200 59.149 -0.949 17717 3375 1 4 . 1 1 75 75 GLU CB C 75 28.400 28.400 28.774 -0.374 17717 3376 1 4 . 1 1 75 75 GLU H H 75 8.600 8.600 8.229 0.371 17717 3377 1 4 . 1 1 76 76 LYS N N 76 118.000 118.000 118.715 -0.715 17717 3378 1 4 . 1 1 76 76 LYS HA H 76 4.117 4.117 4.127 -0.010 17717 3379 1 4 . 1 1 76 76 LYS CA C 76 58.400 58.400 58.823 -0.423 17717 3380 1 4 . 1 1 76 76 LYS CB C 76 32.480 32.480 32.460 0.020 17717 3381 1 4 . 1 1 76 76 LYS H H 76 7.690 7.690 7.374 0.316 17717 3382 1 4 . 1 1 77 77 GLU N N 77 115.835 115.835 119.164 -3.329 17717 3383 1 4 . 1 1 77 77 GLU HA H 77 4.310 4.310 3.985 0.325 17717 3384 1 4 . 1 1 77 77 GLU CA C 77 54.785 54.785 60.170 -5.385 17717 3385 1 4 . 1 1 77 77 GLU CB C 77 28.355 28.355 29.415 -1.060 17717 3386 1 4 . 1 1 77 77 GLU H H 77 8.290 8.290 7.829 0.461 17717 3387 1 4 . 1 1 78 78 THR N N 78 120.300 120.300 112.436 7.864 17717 3388 1 4 . 1 1 78 78 THR HA H 78 4.410 4.410 3.908 0.502 17717 3389 1 4 . 1 1 78 78 THR CA C 78 68.100 68.100 66.453 1.647 17717 3390 1 4 . 1 1 78 78 THR CB C 78 69.451 69.451 68.664 0.787 17717 3391 1 4 . 1 1 78 78 THR H H 78 7.490 7.490 8.251 -0.761 17717 3392 1 4 . 1 1 79 79 ASP N N 79 120.085 120.085 121.927 -1.842 17717 3393 1 4 . 1 1 79 79 ASP HA H 79 4.480 4.480 4.367 0.113 17717 3394 1 4 . 1 1 79 79 ASP CA C 79 57.426 57.426 57.226 0.200 17717 3395 1 4 . 1 1 79 79 ASP CB C 79 39.240 39.240 40.734 -1.494 17717 3396 1 4 . 1 1 79 79 ASP H H 79 8.880 8.880 7.756 1.124 17717 3397 1 4 . 1 1 80 80 TRP N N 80 123.803 123.803 122.033 1.770 17717 3398 1 4 . 1 1 80 80 TRP HA H 80 4.280 4.280 4.349 -0.069 17717 3399 1 4 . 1 1 80 80 TRP CA C 80 60.660 60.660 61.791 -1.131 17717 3400 1 4 . 1 1 80 80 TRP CB C 80 27.000 27.000 30.338 -3.338 17717 3401 1 4 . 1 1 80 80 TRP H H 80 7.760 7.760 7.955 -0.195 17717 3402 1 4 . 1 1 81 81 VAL N N 81 118.790 118.790 117.332 1.458 17717 3403 1 4 . 1 1 81 81 VAL HA H 81 4.280 4.280 3.888 0.392 17717 3404 1 4 . 1 1 81 81 VAL CA C 81 61.200 61.200 66.317 -5.117 17717 3405 1 4 . 1 1 81 81 VAL CB C 81 29.900 29.900 31.773 -1.873 17717 3406 1 4 . 1 1 81 81 VAL H H 81 8.160 8.160 8.948 -0.788 17717 3407 1 4 . 1 1 82 82 ARG N N 82 119.190 119.190 119.913 -0.723 17717 3408 1 4 . 1 1 82 82 ARG HA H 82 4.480 4.480 3.976 0.504 17717 3409 1 4 . 1 1 82 82 ARG CA C 82 58.400 58.400 59.336 -0.936 17717 3410 1 4 . 1 1 82 82 ARG CB C 82 29.800 29.800 30.084 -0.284 17717 3411 1 4 . 1 1 82 82 ARG H H 82 7.100 7.100 8.511 -1.411 17717 3412 1 4 . 1 1 83 83 GLN N N 83 117.960 117.960 118.179 -0.219 17717 3413 1 4 . 1 1 83 83 GLN HA H 83 4.222 4.222 4.007 0.215 17717 3414 1 4 . 1 1 83 83 GLN CA C 83 55.600 55.600 58.436 -2.836 17717 3415 1 4 . 1 1 83 83 GLN CB C 83 28.550 28.550 28.177 0.373 17717 3416 1 4 . 1 1 83 83 GLN H H 83 8.050 8.050 7.830 0.220 17717 3417 1 4 . 1 1 84 84 GLU N N 84 119.022 119.022 118.686 0.336 17717 3418 1 4 . 1 1 84 84 GLU HA H 84 4.100 4.100 3.956 0.144 17717 3419 1 4 . 1 1 84 84 GLU CA C 84 57.300 57.300 57.976 -0.676 17717 3420 1 4 . 1 1 84 84 GLU CB C 84 28.600 28.600 29.071 -0.471 17717 3421 1 4 . 1 1 84 84 GLU H H 84 7.920 7.920 8.400 -0.480 17717 3422 1 4 . 1 1 85 85 MET N N 85 117.565 117.565 120.406 -2.841 17717 3423 1 4 . 1 1 85 85 MET HA H 85 4.265 4.265 3.987 0.278 17717 3424 1 4 . 1 1 85 85 MET CA C 85 55.020 55.020 59.321 -4.301 17717 3425 1 4 . 1 1 85 85 MET CB C 85 33.000 33.000 32.138 0.862 17717 3426 1 4 . 1 1 85 85 MET H H 85 8.230 8.230 7.489 0.741 17717 3427 1 4 . 1 1 86 86 ASN N N 86 119.022 119.022 116.500 2.522 17717 3428 1 4 . 1 1 86 86 ASN HA H 86 4.570 4.570 4.474 0.096 17717 3429 1 4 . 1 1 86 86 ASN CA C 86 56.000 56.000 56.427 -0.427 17717 3430 1 4 . 1 1 86 86 ASN CB C 86 37.700 37.700 38.582 -0.882 17717 3431 1 4 . 1 1 86 86 ASN H H 86 8.600 8.600 7.785 0.815 17717 3432 1 4 . 1 1 87 87 LYS N N 87 120.273 120.273 120.561 -0.288 17717 3433 1 4 . 1 1 87 87 LYS HA H 87 4.100 4.100 3.894 0.206 17717 3434 1 4 . 1 1 87 87 LYS CA C 87 59.000 59.000 59.345 -0.345 17717 3435 1 4 . 1 1 87 87 LYS CB C 87 30.900 30.900 32.114 -1.214 17717 3436 1 4 . 1 1 87 87 LYS H H 87 7.220 7.220 7.536 -0.316 17717 3437 1 4 . 1 1 88 88 ASP N N 88 121.147 121.147 119.177 1.970 17717 3438 1 4 . 1 1 88 88 ASP HA H 88 4.480 4.480 4.383 0.097 17717 3439 1 4 . 1 1 88 88 ASP CA C 88 56.840 56.840 57.300 -0.460 17717 3440 1 4 . 1 1 88 88 ASP CB C 88 39.450 39.450 40.607 -1.157 17717 3441 1 4 . 1 1 88 88 ASP H H 88 7.390 7.390 8.049 -0.659 17717 3442 1 4 . 1 1 89 89 LEU N N 89 122.741 122.741 119.750 2.991 17717 3443 1 4 . 1 1 89 89 LEU HA H 89 4.470 4.470 3.957 0.513 17717 3444 1 4 . 1 1 89 89 LEU CA C 89 57.000 57.000 58.578 -1.578 17717 3445 1 4 . 1 1 89 89 LEU CB C 89 41.000 41.000 42.173 -1.173 17717 3446 1 4 . 1 1 89 89 LEU H H 89 8.910 8.910 7.484 1.426 17717 3447 1 4 . 1 1 90 90 GLU N N 90 119.553 119.553 117.611 1.942 17717 3448 1 4 . 1 1 90 90 GLU HA H 90 4.050 4.050 4.147 -0.097 17717 3449 1 4 . 1 1 90 90 GLU CA C 90 59.100 59.100 58.461 0.639 17717 3450 1 4 . 1 1 90 90 GLU CB C 90 28.556 28.556 29.621 -1.065 17717 3451 1 4 . 1 1 90 90 GLU H H 90 8.260 8.260 7.871 0.389 17717 3452 1 4 . 1 1 91 91 GLU N N 91 119.190 119.190 120.112 -0.922 17717 3453 1 4 . 1 1 91 91 GLU HA H 91 4.136 4.136 4.156 -0.020 17717 3454 1 4 . 1 1 91 91 GLU CA C 91 58.600 58.600 59.250 -0.650 17717 3455 1 4 . 1 1 91 91 GLU CB C 91 28.600 28.600 29.946 -1.346 17717 3456 1 4 . 1 1 91 91 GLU H H 91 7.470 7.470 8.129 -0.659 17717 3457 1 4 . 1 1 92 92 VAL N N 92 122.230 122.230 115.680 6.550 17717 3458 1 4 . 1 1 92 92 VAL HA H 92 3.837 3.837 3.961 -0.124 17717 3459 1 4 . 1 1 92 92 VAL CA C 92 65.900 65.900 66.297 -0.397 17717 3460 1 4 . 1 1 92 92 VAL CB C 92 29.200 29.200 32.088 -2.888 17717 3461 1 4 . 1 1 92 92 VAL H H 92 8.420 8.420 8.300 0.120 17717 3462 1 4 . 1 1 93 93 LYS N N 93 121.300 121.300 118.896 2.404 17717 3463 1 4 . 1 1 93 93 LYS HA H 93 3.836 3.836 4.176 -0.340 17717 3464 1 4 . 1 1 93 93 LYS CA C 93 59.900 59.900 58.747 1.153 17717 3465 1 4 . 1 1 93 93 LYS CB C 93 31.277 31.277 31.886 -0.609 17717 3466 1 4 . 1 1 93 93 LYS H H 93 9.000 9.000 7.719 1.281 17717 3467 1 4 . 1 1 94 94 GLN N N 94 116.900 116.900 115.736 1.164 17717 3468 1 4 . 1 1 94 94 GLN HA H 94 4.094 4.094 4.374 -0.280 17717 3469 1 4 . 1 1 94 94 GLN CA C 94 57.731 57.731 57.680 0.051 17717 3470 1 4 . 1 1 94 94 GLN CB C 94 27.700 27.700 28.489 -0.789 17717 3471 1 4 . 1 1 94 94 GLN H H 94 7.320 7.320 7.689 -0.369 17717 3472 1 4 . 1 1 95 95 LYS N N 95 119.190 119.190 119.751 -0.561 17717 3473 1 4 . 1 1 95 95 LYS HA H 95 4.137 4.137 4.213 -0.076 17717 3474 1 4 . 1 1 95 95 LYS CA C 95 57.700 57.700 58.284 -0.584 17717 3475 1 4 . 1 1 95 95 LYS CB C 95 31.800 31.800 33.117 -1.317 17717 3476 1 4 . 1 1 95 95 LYS H H 95 7.590 7.590 7.666 -0.076 17717 3477 1 4 . 1 1 96 96 VAL N N 96 111.000 111.000 117.426 -6.426 17717 3478 1 4 . 1 1 96 96 VAL HA H 96 4.138 4.138 3.557 0.581 17717 3479 1 4 . 1 1 96 96 VAL CA C 96 61.600 61.600 65.841 -4.241 17717 3480 1 4 . 1 1 96 96 VAL CB C 96 31.500 31.500 31.315 0.185 17717 3481 1 4 . 1 1 96 96 VAL H H 96 7.960 7.960 7.746 0.214 17717 3482 1 4 . 1 1 97 97 GLN N N 97 122.210 122.210 120.133 2.077 17717 3483 1 4 . 1 1 97 97 GLN HA H 97 4.030 4.030 4.004 0.026 17717 3484 1 4 . 1 1 97 97 GLN CA C 97 59.226 59.226 58.607 0.619 17717 3485 1 4 . 1 1 97 97 GLN CB C 97 24.578 24.578 26.314 -1.736 17717 3486 1 4 . 1 1 97 97 GLN H H 97 7.380 7.380 8.351 -0.971 17717 3487 1 4 . 1 1 98 98 PRO CA C 98 65.400 65.400 63.233 2.167 17717 3488 1 4 . 1 1 98 98 PRO CB C 98 30.336 30.336 32.354 -2.018 17717 3489 1 4 . 1 1 99 99 TYR N N 99 116.900 116.900 116.508 0.392 17717 3490 1 4 . 1 1 99 99 TYR HA H 99 4.480 4.480 4.201 0.279 17717 3491 1 4 . 1 1 99 99 TYR CA C 99 58.446 58.446 58.410 0.036 17717 3492 1 4 . 1 1 99 99 TYR CB C 99 36.344 36.344 35.951 0.393 17717 3493 1 4 . 1 1 99 99 TYR H H 99 7.100 7.100 8.050 -0.950 17717 3494 1 4 . 1 1 100 100 LEU N N 100 123.270 123.270 124.421 -1.151 17717 3495 1 4 . 1 1 100 100 LEU HA H 100 3.964 3.964 4.581 -0.617 17717 3496 1 4 . 1 1 100 100 LEU CA C 100 57.300 57.300 55.156 2.144 17717 3497 1 4 . 1 1 100 100 LEU CB C 100 40.950 40.950 42.553 -1.603 17717 3498 1 4 . 1 1 100 100 LEU H H 100 7.500 7.500 8.195 -0.695 17717 3499 1 4 . 1 1 101 101 ASP N N 101 119.500 119.500 117.431 2.069 17717 3500 1 4 . 1 1 101 101 ASP HA H 101 3.810 3.810 4.534 -0.724 17717 3501 1 4 . 1 1 101 101 ASP CA C 101 58.200 58.200 54.570 3.630 17717 3502 1 4 . 1 1 101 101 ASP CB C 101 39.100 39.100 40.001 -0.901 17717 3503 1 4 . 1 1 101 101 ASP H H 101 8.450 8.450 7.979 0.471 17717 3504 1 4 . 1 1 102 102 GLU N N 102 121.221 121.221 121.427 -0.206 17717 3505 1 4 . 1 1 102 102 GLU HA H 102 4.222 4.222 4.003 0.220 17717 3506 1 4 . 1 1 102 102 GLU CA C 102 59.200 59.200 59.237 -0.037 17717 3507 1 4 . 1 1 102 102 GLU CB C 102 31.100 31.100 29.446 1.654 17717 3508 1 4 . 1 1 102 102 GLU H H 102 8.190 8.190 8.613 -0.423 17717 3509 1 4 . 1 1 103 103 PHE N N 103 124.065 124.065 119.019 5.046 17717 3510 1 4 . 1 1 103 103 PHE HA H 103 4.520 4.520 4.241 0.279 17717 3511 1 4 . 1 1 103 103 PHE CA C 103 57.183 57.183 60.767 -3.583 17717 3512 1 4 . 1 1 103 103 PHE CB C 103 38.608 38.608 37.473 1.135 17717 3513 1 4 . 1 1 103 103 PHE H H 103 8.170 8.170 7.180 0.990 17717 3514 1 4 . 1 1 104 104 GLN N N 104 123.272 123.272 117.814 5.458 17717 3515 1 4 . 1 1 104 104 GLN HA H 104 4.222 4.222 4.119 0.103 17717 3516 1 4 . 1 1 104 104 GLN CA C 104 55.460 55.460 58.338 -2.878 17717 3517 1 4 . 1 1 104 104 GLN CB C 104 29.200 29.200 28.211 0.989 17717 3518 1 4 . 1 1 104 104 GLN H H 104 8.030 8.030 8.430 -0.400 17717 3519 1 4 . 1 1 105 105 LYS N N 105 119.600 119.600 121.225 -1.625 17717 3520 1 4 . 1 1 105 105 LYS HA H 105 4.136 4.136 3.996 0.140 17717 3521 1 4 . 1 1 105 105 LYS CA C 105 57.830 57.830 59.948 -2.118 17717 3522 1 4 . 1 1 105 105 LYS CB C 105 32.220 32.220 32.410 -0.190 17717 3523 1 4 . 1 1 105 105 LYS H H 105 7.800 7.800 8.533 -0.733 17717 3524 1 4 . 1 1 106 106 LYS N N 106 117.960 117.960 120.331 -2.371 17717 3525 1 4 . 1 1 106 106 LYS HA H 106 4.093 4.093 4.071 0.022 17717 3526 1 4 . 1 1 106 106 LYS CA C 106 57.860 57.860 59.233 -1.373 17717 3527 1 4 . 1 1 106 106 LYS CB C 106 32.080 32.080 31.874 0.206 17717 3528 1 4 . 1 1 106 106 LYS H H 106 7.740 7.740 8.004 -0.264 17717 3529 1 4 . 1 1 107 107 TRP N N 107 119.320 119.320 120.286 -0.966 17717 3530 1 4 . 1 1 107 107 TRP HA H 107 4.310 4.310 4.262 0.048 17717 3531 1 4 . 1 1 107 107 TRP CA C 107 54.900 54.900 60.386 -5.486 17717 3532 1 4 . 1 1 107 107 TRP CB C 107 28.400 28.400 29.346 -0.946 17717 3533 1 4 . 1 1 107 107 TRP H H 107 8.390 8.390 7.718 0.672 17717 3534 1 4 . 1 1 108 108 LYS N N 108 120.390 120.390 120.177 0.213 17717 3535 1 4 . 1 1 108 108 LYS HA H 108 4.350 4.350 3.791 0.559 17717 3536 1 4 . 1 1 108 108 LYS CA C 108 58.170 58.170 59.169 -0.999 17717 3537 1 4 . 1 1 108 108 LYS CB C 108 30.250 30.250 31.931 -1.681 17717 3538 1 4 . 1 1 108 108 LYS H H 108 7.420 7.420 7.780 -0.360 17717 3539 1 4 . 1 1 109 109 GLU N N 109 120.220 120.220 120.253 -0.033 17717 3540 1 4 . 1 1 109 109 GLU HA H 109 3.922 3.922 3.996 -0.074 17717 3541 1 4 . 1 1 109 109 GLU CA C 109 58.230 58.230 59.508 -1.278 17717 3542 1 4 . 1 1 109 109 GLU CB C 109 29.230 29.230 29.888 -0.658 17717 3543 1 4 . 1 1 109 109 GLU H H 109 7.800 7.800 7.584 0.216 17717 3544 1 4 . 1 1 110 110 ASP N N 110 121.678 121.678 120.295 1.383 17717 3545 1 4 . 1 1 110 110 ASP HA H 110 4.096 4.096 4.211 -0.115 17717 3546 1 4 . 1 1 110 110 ASP CA C 110 57.514 57.514 57.313 0.201 17717 3547 1 4 . 1 1 110 110 ASP CB C 110 40.005 40.005 40.559 -0.554 17717 3548 1 4 . 1 1 110 110 ASP H H 110 8.220 8.220 8.409 -0.189 17717 3549 1 4 . 1 1 111 111 VAL N N 111 123.537 123.537 117.343 6.194 17717 3550 1 4 . 1 1 111 111 VAL CA C 111 66.380 66.380 66.514 -0.134 17717 3551 1 4 . 1 1 111 111 VAL CB C 111 30.800 30.800 30.852 -0.052 17717 3552 1 4 . 1 1 111 111 VAL H H 111 9.170 9.170 7.688 1.482 17717 3553 1 4 . 1 1 112 112 GLU N N 112 120.200 120.200 120.603 -0.403 17717 3554 1 4 . 1 1 112 112 GLU HA H 112 4.179 4.179 3.996 0.183 17717 3555 1 4 . 1 1 112 112 GLU CA C 112 58.431 58.431 59.449 -1.018 17717 3556 1 4 . 1 1 112 112 GLU CB C 112 27.878 27.878 29.488 -1.610 17717 3557 1 4 . 1 1 112 112 GLU H H 112 7.540 7.540 7.200 0.340 17717 3558 1 4 . 1 1 113 113 LEU N N 113 120.815 120.815 118.462 2.353 17717 3559 1 4 . 1 1 113 113 LEU HA H 113 4.439 4.439 3.801 0.637 17717 3560 1 4 . 1 1 113 113 LEU CA C 113 53.800 53.800 57.671 -3.871 17717 3561 1 4 . 1 1 113 113 LEU CB C 113 41.060 41.060 40.697 0.363 17717 3562 1 4 . 1 1 113 113 LEU H H 113 7.900 7.900 7.556 0.344 17717 3563 1 4 . 1 1 114 114 TYR N N 114 120.920 120.920 120.463 0.457 17717 3564 1 4 . 1 1 114 114 TYR HA H 114 4.520 4.520 3.997 0.523 17717 3565 1 4 . 1 1 114 114 TYR CA C 114 56.942 56.942 61.868 -4.926 17717 3566 1 4 . 1 1 114 114 TYR CB C 114 37.834 37.834 38.562 -0.728 17717 3567 1 4 . 1 1 114 114 TYR H H 114 8.370 8.370 8.306 0.064 17717 3568 1 4 . 1 1 115 115 ARG N N 115 118.260 118.260 117.519 0.741 17717 3569 1 4 . 1 1 115 115 ARG HA H 115 4.820 4.820 3.867 0.953 17717 3570 1 4 . 1 1 115 115 ARG CA C 115 55.700 55.700 59.227 -3.527 17717 3571 1 4 . 1 1 115 115 ARG CB C 115 30.600 30.600 29.420 1.180 17717 3572 1 4 . 1 1 115 115 ARG H H 115 7.630 7.630 7.916 -0.286 17717 3573 1 4 . 1 1 116 116 GLN N N 116 116.670 116.670 117.261 -0.591 17717 3574 1 4 . 1 1 116 116 GLN HA H 116 4.480 4.480 4.055 0.425 17717 3575 1 4 . 1 1 116 116 GLN CA C 116 57.100 57.100 58.010 -0.909 17717 3576 1 4 . 1 1 116 116 GLN CB C 116 28.060 28.060 28.263 -0.203 17717 3577 1 4 . 1 1 116 116 GLN H H 116 7.980 7.980 7.260 0.720 17717 3578 1 4 . 1 1 117 117 LYS N N 117 119.200 119.200 118.947 0.253 17717 3579 1 4 . 1 1 117 117 LYS HA H 117 4.211 4.211 3.737 0.474 17717 3580 1 4 . 1 1 117 117 LYS CA C 117 56.700 56.700 58.315 -1.615 17717 3581 1 4 . 1 1 117 117 LYS CB C 117 32.100 32.100 31.570 0.530 17717 3582 1 4 . 1 1 117 117 LYS H H 117 7.780 7.780 7.415 0.365 17717 3583 1 4 . 1 1 118 118 ALA N N 118 122.740 122.740 119.954 2.786 17717 3584 1 4 . 1 1 118 118 ALA HA H 118 4.179 4.179 3.809 0.370 17717 3585 1 4 . 1 1 118 118 ALA CA C 118 52.100 52.100 53.221 -1.121 17717 3586 1 4 . 1 1 118 118 ALA CB C 118 18.100 18.100 18.918 -0.818 17717 3587 1 4 . 1 1 118 118 ALA H H 118 8.100 8.100 7.657 0.443 17717 3588 1 4 . 1 1 119 119 SER N N 119 115.840 115.840 112.699 3.141 17717 3589 1 4 . 1 1 119 119 SER HA H 119 4.210 4.210 4.841 -0.631 17717 3590 1 4 . 1 1 119 119 SER CA C 119 55.900 55.900 53.671 2.229 17717 3591 1 4 . 1 1 119 119 SER CB C 119 62.900 62.900 63.514 -0.614 17717 3592 1 4 . 1 1 119 119 SER H H 119 7.800 7.800 7.360 0.440 17717 3593 1 4 . 1 1 120 120 PRO CA C 120 63.074 63.074 63.015 0.059 17717 3594 1 4 . 1 1 120 120 PRO CB C 120 31.408 31.408 32.386 -0.978 17717 3595 1 4 . 1 1 121 121 GLN N N 121 120.800 120.800 126.800 -6.000 17717 3596 1 4 . 1 1 121 121 GLN HA H 121 4.350 4.350 4.085 0.265 17717 3597 1 4 . 1 1 121 121 GLN CA C 121 55.800 55.800 58.713 -2.913 17717 3598 1 4 . 1 1 121 121 GLN CB C 121 28.300 28.300 27.801 0.499 17717 3599 1 4 . 1 1 121 121 GLN H H 121 8.450 8.450 8.774 -0.324 17717 3600 1 4 . 1 1 122 122 GLY N N 122 109.991 109.991 107.352 2.639 17717 3601 1 4 . 1 1 122 122 GLY CA C 122 44.500 44.500 46.589 -2.089 17717 3602 1 4 . 1 1 122 122 GLY H H 122 8.380 8.380 8.843 -0.463 17717 3603 1 4 . 1 1 123 123 ALA N N 123 124.866 124.866 124.976 -0.110 17717 3604 1 4 . 1 1 123 123 ALA HA H 123 4.280 4.280 4.246 0.034 17717 3605 1 4 . 1 1 123 123 ALA CA C 123 52.440 52.440 54.967 -2.527 17717 3606 1 4 . 1 1 123 123 ALA CB C 123 18.530 18.530 18.607 -0.077 17717 3607 1 4 . 1 1 123 123 ALA H H 123 8.200 8.200 7.769 0.431 17717 3608 1 4 . 1 1 124 124 GLU N N 124 120.000 120.000 118.002 1.998 17717 3609 1 4 . 1 1 124 124 GLU HA H 124 4.265 4.265 4.117 0.148 17717 3610 1 4 . 1 1 124 124 GLU CA C 124 56.533 56.533 58.302 -1.769 17717 3611 1 4 . 1 1 124 124 GLU CB C 124 29.150 29.150 29.254 -0.104 17717 3612 1 4 . 1 1 124 124 GLU H H 124 8.510 8.510 7.791 0.719 17717 3613 1 4 . 1 1 125 125 LEU N N 125 122.740 122.740 122.968 -0.228 17717 3614 1 4 . 1 1 125 125 LEU HA H 125 4.222 4.222 4.012 0.210 17717 3615 1 4 . 1 1 125 125 LEU CA C 125 55.600 55.600 58.275 -2.675 17717 3616 1 4 . 1 1 125 125 LEU CB C 125 41.500 41.500 41.800 -0.300 17717 3617 1 4 . 1 1 125 125 LEU H H 125 8.110 8.110 8.643 -0.533 17717 3618 1 4 . 1 1 126 126 GLN N N 126 120.616 120.616 116.389 4.227 17717 3619 1 4 . 1 1 126 126 GLN HA H 126 4.140 4.140 4.028 0.112 17717 3620 1 4 . 1 1 126 126 GLN CA C 126 56.600 56.600 58.617 -2.018 17717 3621 1 4 . 1 1 126 126 GLN CB C 126 28.200 28.200 28.231 -0.031 17717 3622 1 4 . 1 1 126 126 GLN H H 126 8.190 8.190 8.210 -0.020 17717 3623 1 4 . 1 1 127 127 GLU N N 127 121.221 121.221 120.714 0.507 17717 3624 1 4 . 1 1 127 127 GLU HA H 127 4.480 4.480 4.107 0.373 17717 3625 1 4 . 1 1 127 127 GLU CA C 127 57.800 57.800 59.062 -1.262 17717 3626 1 4 . 1 1 127 127 GLU CB C 127 28.000 28.000 29.371 -1.371 17717 3627 1 4 . 1 1 127 127 GLU H H 127 8.130 8.130 7.755 0.375 17717 3628 1 4 . 1 1 128 128 SER N N 128 117.960 117.960 116.343 1.617 17717 3629 1 4 . 1 1 128 128 SER HA H 128 4.140 4.140 4.408 -0.268 17717 3630 1 4 . 1 1 128 128 SER CA C 128 57.800 57.800 61.609 -3.809 17717 3631 1 4 . 1 1 128 128 SER CB C 128 63.860 63.860 63.210 0.650 17717 3632 1 4 . 1 1 128 128 SER H H 128 8.580 8.580 8.508 0.072 17717 3633 1 4 . 1 1 129 129 ALA N N 129 132.300 132.300 124.100 8.200 17717 3634 1 4 . 1 1 129 129 ALA CA C 129 53.505 53.505 54.421 -0.916 17717 3635 1 4 . 1 1 129 129 ALA CB C 129 18.600 18.600 18.779 -0.179 17717 3636 1 4 . 1 1 129 129 ALA H H 129 7.980 7.980 8.005 -0.025 17717 3637 1 4 . 1 1 130 130 ARG N N 130 119.553 119.553 115.326 4.227 17717 3638 1 4 . 1 1 130 130 ARG HA H 130 4.274 4.274 4.598 -0.324 17717 3639 1 4 . 1 1 130 130 ARG CA C 130 55.300 55.300 55.706 -0.406 17717 3640 1 4 . 1 1 130 130 ARG CB C 130 31.600 31.600 31.163 0.437 17717 3641 1 4 . 1 1 130 130 ARG H H 130 8.150 8.150 7.405 0.745 17717 3642 1 4 . 1 1 131 131 GLN N N 131 117.960 117.960 118.364 -0.404 17717 3643 1 4 . 1 1 131 131 GLN HA H 131 4.350 4.350 4.471 -0.121 17717 3644 1 4 . 1 1 131 131 GLN CA C 131 56.066 56.066 56.379 -0.313 17717 3645 1 4 . 1 1 131 131 GLN CB C 131 29.000 29.000 30.084 -1.084 17717 3646 1 4 . 1 1 131 131 GLN H H 131 7.880 7.880 7.587 0.293 17717 3647 1 4 . 1 1 132 132 LYS N N 132 121.357 121.357 122.283 -0.926 17717 3648 1 4 . 1 1 132 132 LYS HA H 132 4.136 4.136 4.430 -0.294 17717 3649 1 4 . 1 1 132 132 LYS CA C 132 56.800 56.800 56.868 -0.068 17717 3650 1 4 . 1 1 132 132 LYS CB C 132 31.100 31.100 32.008 -0.908 17717 3651 1 4 . 1 1 132 132 LYS H H 132 7.892 7.892 8.635 -0.743 17717 3652 1 4 . 1 1 133 133 LEU N N 133 120.620 120.620 115.663 4.957 17717 3653 1 4 . 1 1 133 133 LEU HA H 133 4.480 4.480 4.524 -0.044 17717 3654 1 4 . 1 1 133 133 LEU CA C 133 53.900 53.900 55.272 -1.372 17717 3655 1 4 . 1 1 133 133 LEU CB C 133 41.230 41.230 42.753 -1.523 17717 3656 1 4 . 1 1 133 133 LEU H H 133 8.320 8.320 7.753 0.567 17717 3657 1 4 . 1 1 134 134 GLN N N 134 121.147 121.147 119.040 2.107 17717 3658 1 4 . 1 1 134 134 GLN HA H 134 4.222 4.222 4.543 -0.321 17717 3659 1 4 . 1 1 134 134 GLN CA C 134 56.146 56.146 55.295 0.851 17717 3660 1 4 . 1 1 134 134 GLN CB C 134 31.813 31.813 31.067 0.746 17717 3661 1 4 . 1 1 134 134 GLN H H 134 7.870 7.870 7.889 -0.019 17717 3662 1 4 . 1 1 135 135 GLU N N 135 121.678 121.678 124.664 -2.986 17717 3663 1 4 . 1 1 135 135 GLU HA H 135 4.136 4.136 4.387 -0.251 17717 3664 1 4 . 1 1 135 135 GLU CA C 135 55.904 55.904 57.215 -1.312 17717 3665 1 4 . 1 1 135 135 GLU CB C 135 28.953 28.953 28.097 0.856 17717 3666 1 4 . 1 1 135 135 GLU H H 135 7.892 7.892 8.774 -0.882 17717 3667 1 4 . 1 1 136 136 LEU N N 136 121.357 121.357 120.860 0.497 17717 3668 1 4 . 1 1 136 136 LEU HA H 136 4.351 4.351 4.596 -0.245 17717 3669 1 4 . 1 1 136 136 LEU CA C 136 54.765 54.765 53.128 1.637 17717 3670 1 4 . 1 1 136 136 LEU CB C 136 41.823 41.823 45.726 -3.903 17717 3671 1 4 . 1 1 136 136 LEU H H 136 7.962 7.962 7.880 0.082 17717 3672 1 4 . 1 1 137 137 GLN N N 137 124.866 124.866 119.113 5.753 17717 3673 1 4 . 1 1 137 137 GLN HA H 137 4.222 4.222 4.576 -0.354 17717 3674 1 4 . 1 1 137 137 GLN CA C 137 56.300 56.300 54.896 1.404 17717 3675 1 4 . 1 1 137 137 GLN CB C 137 28.000 28.000 30.042 -2.042 17717 3676 1 4 . 1 1 137 137 GLN H H 137 7.938 7.938 8.407 -0.469 17717 3677 1 4 . 1 1 138 138 GLY N N 138 111.054 111.054 111.027 0.027 17717 3678 1 4 . 1 1 138 138 GLY CA C 138 44.800 44.800 45.917 -1.117 17717 3679 1 4 . 1 1 138 138 GLY H H 138 8.410 8.410 8.577 -0.167 17717 3680 1 4 . 1 1 139 139 ARG N N 139 116.366 116.366 121.224 -4.858 17717 3681 1 4 . 1 1 139 139 ARG HA H 139 4.230 4.230 4.532 -0.302 17717 3682 1 4 . 1 1 139 139 ARG CA C 139 56.300 56.300 56.005 0.295 17717 3683 1 4 . 1 1 139 139 ARG CB C 139 28.700 28.700 30.922 -2.222 17717 3684 1 4 . 1 1 139 139 ARG H H 139 8.080 8.080 8.485 -0.405 17717 3685 1 4 . 1 1 140 140 LEU N N 140 126.460 126.460 118.184 8.276 17717 3686 1 4 . 1 1 140 140 LEU HA H 140 4.220 4.220 3.920 0.300 17717 3687 1 4 . 1 1 140 140 LEU CA C 140 56.500 56.500 56.304 0.196 17717 3688 1 4 . 1 1 140 140 LEU CB C 140 41.496 41.496 41.184 0.312 17717 3689 1 4 . 1 1 140 140 LEU H H 140 7.740 7.740 8.148 -0.408 17717 3690 1 4 . 1 1 141 141 SER N N 141 119.190 119.190 115.449 3.741 17717 3691 1 4 . 1 1 141 141 SER HA H 141 4.390 4.390 4.456 -0.066 17717 3692 1 4 . 1 1 141 141 SER CA C 141 56.384 56.384 58.260 -1.876 17717 3693 1 4 . 1 1 141 141 SER CB C 141 62.996 62.996 63.669 -0.673 17717 3694 1 4 . 1 1 141 141 SER H H 141 8.430 8.430 7.976 0.454 17717 3695 1 4 . 1 1 142 142 PRO CA C 142 64.840 64.840 64.681 0.159 17717 3696 1 4 . 1 1 142 142 PRO CB C 142 31.345 31.345 31.740 -0.395 17717 3697 1 4 . 1 1 143 143 VAL N N 143 116.900 116.900 116.195 0.705 17717 3698 1 4 . 1 1 143 143 VAL HA H 143 4.100 4.100 4.221 -0.121 17717 3699 1 4 . 1 1 143 143 VAL CA C 143 63.800 63.800 62.930 0.870 17717 3700 1 4 . 1 1 143 143 VAL CB C 143 31.400 31.400 30.112 1.288 17717 3701 1 4 . 1 1 143 143 VAL H H 143 7.780 7.780 7.599 0.181 17717 3702 1 4 . 1 1 144 144 ALA N N 144 125.700 125.700 121.929 3.771 17717 3703 1 4 . 1 1 144 144 ALA HA H 144 4.390 4.390 4.077 0.313 17717 3704 1 4 . 1 1 144 144 ALA CA C 144 54.200 54.200 55.155 -0.955 17717 3705 1 4 . 1 1 144 144 ALA CB C 144 18.361 18.361 18.193 0.168 17717 3706 1 4 . 1 1 144 144 ALA H H 144 7.970 7.970 7.694 0.276 17717 3707 1 4 . 1 1 145 145 GLU N N 145 120.000 120.000 119.060 0.940 17717 3708 1 4 . 1 1 145 145 GLU HA H 145 3.920 3.920 3.972 -0.052 17717 3709 1 4 . 1 1 145 145 GLU CA C 145 59.400 59.400 59.623 -0.223 17717 3710 1 4 . 1 1 145 145 GLU CB C 145 28.400 28.400 29.115 -0.715 17717 3711 1 4 . 1 1 145 145 GLU H H 145 8.600 8.600 7.776 0.824 17717 3712 1 4 . 1 1 146 146 GLU N N 146 119.022 119.022 118.530 0.492 17717 3713 1 4 . 1 1 146 146 GLU HA H 146 4.050 4.050 4.117 -0.067 17717 3714 1 4 . 1 1 146 146 GLU CA C 146 58.422 58.422 58.616 -0.194 17717 3715 1 4 . 1 1 146 146 GLU CB C 146 28.172 28.172 28.709 -0.537 17717 3716 1 4 . 1 1 146 146 GLU H H 146 8.070 8.070 8.405 -0.335 17717 3717 1 4 . 1 1 147 147 PHE N N 147 117.023 117.023 122.281 -5.258 17717 3718 1 4 . 1 1 147 147 PHE HA H 147 4.523 4.523 4.249 0.274 17717 3719 1 4 . 1 1 147 147 PHE CA C 147 58.592 58.592 61.152 -2.560 17717 3720 1 4 . 1 1 147 147 PHE CB C 147 40.344 40.344 39.515 0.829 17717 3721 1 4 . 1 1 147 147 PHE H H 147 8.161 8.161 8.500 -0.339 17717 3722 1 4 . 1 1 148 148 ARG N N 148 120.085 120.085 120.166 -0.081 17717 3723 1 4 . 1 1 148 148 ARG HA H 148 4.136 4.136 4.043 0.093 17717 3724 1 4 . 1 1 148 148 ARG CA C 148 57.700 57.700 58.901 -1.201 17717 3725 1 4 . 1 1 148 148 ARG CB C 148 30.400 30.400 29.867 0.533 17717 3726 1 4 . 1 1 148 148 ARG H H 148 8.325 8.325 8.160 0.165 17717 3727 1 4 . 1 1 149 149 ASP N N 149 118.530 118.530 119.346 -0.816 17717 3728 1 4 . 1 1 149 149 ASP HA H 149 4.310 4.310 4.415 -0.105 17717 3729 1 4 . 1 1 149 149 ASP CA C 149 54.600 54.600 57.024 -2.424 17717 3730 1 4 . 1 1 149 149 ASP CB C 149 41.000 41.000 40.614 0.386 17717 3731 1 4 . 1 1 149 149 ASP H H 149 8.270 8.270 8.338 -0.068 17717 3732 1 4 . 1 1 150 150 ARG N N 150 126.460 126.460 118.411 8.049 17717 3733 1 4 . 1 1 150 150 ARG HA H 150 4.180 4.180 4.077 0.103 17717 3734 1 4 . 1 1 150 150 ARG CA C 150 56.850 56.850 57.852 -1.002 17717 3735 1 4 . 1 1 150 150 ARG CB C 150 30.451 30.451 29.805 0.646 17717 3736 1 4 . 1 1 150 150 ARG H H 150 7.860 7.860 7.614 0.246 17717 3737 1 4 . 1 1 152 152 ARG CA C 152 55.764 55.764 59.078 -3.314 17717 3738 1 4 . 1 1 152 152 ARG CB C 152 30.014 30.014 29.904 0.110 17717 3739 1 4 . 1 1 153 153 THR N N 153 115.832 115.832 115.773 0.059 17717 3740 1 4 . 1 1 153 153 THR HA H 153 4.350 4.350 3.965 0.385 17717 3741 1 4 . 1 1 153 153 THR CA C 153 61.200 61.200 67.087 -5.887 17717 3742 1 4 . 1 1 153 153 THR CB C 153 69.400 69.400 68.642 0.758 17717 3743 1 4 . 1 1 153 153 THR H H 153 8.170 8.170 7.974 0.196 17717 3744 1 4 . 1 1 154 154 HIS N N 154 129.120 129.120 122.243 6.877 17717 3745 1 4 . 1 1 154 154 HIS HA H 154 4.650 4.650 4.475 0.175 17717 3746 1 4 . 1 1 154 154 HIS CA C 154 56.800 56.800 58.405 -1.605 17717 3747 1 4 . 1 1 154 154 HIS CB C 154 30.400 30.400 29.529 0.871 17717 3748 1 4 . 1 1 154 154 HIS H H 154 7.950 7.950 8.114 -0.164 17717 3749 1 4 . 1 1 155 155 VAL N N 155 120.620 120.620 118.143 2.477 17717 3750 1 4 . 1 1 155 155 VAL HA H 155 4.012 4.012 3.357 0.655 17717 3751 1 4 . 1 1 155 155 VAL CA C 155 62.300 62.300 65.864 -3.564 17717 3752 1 4 . 1 1 155 155 VAL CB C 155 31.600 31.600 30.710 0.890 17717 3753 1 4 . 1 1 155 155 VAL H H 155 7.910 7.910 7.296 0.614 17717 3754 1 4 . 1 1 156 156 ASP N N 156 121.147 121.147 121.007 0.140 17717 3755 1 4 . 1 1 156 156 ASP HA H 156 4.440 4.440 4.277 0.163 17717 3756 1 4 . 1 1 156 156 ASP CA C 156 57.384 57.384 57.628 -0.244 17717 3757 1 4 . 1 1 156 156 ASP CB C 156 40.140 40.140 40.834 -0.694 17717 3758 1 4 . 1 1 156 156 ASP H H 156 8.100 8.100 8.598 -0.498 17717 3759 1 4 . 1 1 157 157 SER N N 157 116.366 116.366 116.059 0.307 17717 3760 1 4 . 1 1 157 157 SER HA H 157 4.220 4.220 4.141 0.079 17717 3761 1 4 . 1 1 157 157 SER CA C 157 61.500 61.500 62.105 -0.605 17717 3762 1 4 . 1 1 157 157 SER CB C 157 62.500 62.500 63.272 -0.772 17717 3763 1 4 . 1 1 157 157 SER H H 157 8.700 8.700 7.888 0.812 17717 3764 1 4 . 1 1 158 158 LEU N N 158 123.272 123.272 122.400 0.872 17717 3765 1 4 . 1 1 158 158 LEU HA H 158 4.520 4.520 4.257 0.263 17717 3766 1 4 . 1 1 158 158 LEU CA C 158 57.140 57.140 58.082 -0.942 17717 3767 1 4 . 1 1 158 158 LEU CB C 158 40.900 40.900 41.853 -0.953 17717 3768 1 4 . 1 1 158 158 LEU H H 158 7.790 7.790 7.782 0.008 17717 3769 1 4 . 1 1 159 159 ARG N N 159 119.553 119.553 116.209 3.344 17717 3770 1 4 . 1 1 159 159 ARG HA H 159 4.530 4.530 4.126 0.404 17717 3771 1 4 . 1 1 159 159 ARG CA C 159 56.800 56.800 58.926 -2.127 17717 3772 1 4 . 1 1 159 159 ARG CB C 159 29.000 29.000 30.040 -1.040 17717 3773 1 4 . 1 1 159 159 ARG H H 159 8.650 8.650 8.074 0.576 17717 3774 1 4 . 1 1 160 160 THR N N 160 115.304 115.304 115.047 0.257 17717 3775 1 4 . 1 1 160 160 THR HA H 160 3.880 3.880 4.074 -0.194 17717 3776 1 4 . 1 1 160 160 THR CA C 160 65.300 65.300 66.021 -0.721 17717 3777 1 4 . 1 1 160 160 THR CB C 160 68.900 68.900 68.495 0.405 17717 3778 1 4 . 1 1 160 160 THR H H 160 8.100 8.100 7.473 0.627 17717 3779 1 4 . 1 1 161 161 GLN N N 161 122.440 122.440 118.664 3.776 17717 3780 1 4 . 1 1 161 161 GLN HA H 161 4.220 4.220 4.324 -0.104 17717 3781 1 4 . 1 1 161 161 GLN CA C 161 56.900 56.900 57.928 -1.028 17717 3782 1 4 . 1 1 161 161 GLN CB C 161 26.160 26.160 28.873 -2.713 17717 3783 1 4 . 1 1 161 161 GLN H H 161 8.070 8.070 8.026 0.044 17717 3784 1 4 . 1 1 162 162 LEU N N 162 115.398 115.398 121.500 -6.102 17717 3785 1 4 . 1 1 162 162 LEU HA H 162 4.220 4.220 4.452 -0.232 17717 3786 1 4 . 1 1 162 162 LEU CA C 162 56.500 56.500 55.785 0.715 17717 3787 1 4 . 1 1 162 162 LEU CB C 162 41.000 41.000 40.641 0.359 17717 3788 1 4 . 1 1 162 162 LEU H H 162 7.980 7.980 7.823 0.157 17717 3789 1 4 . 1 1 163 163 ALA N N 163 122.210 122.210 123.237 -1.027 17717 3790 1 4 . 1 1 163 163 ALA HA H 163 4.260 4.260 4.054 0.206 17717 3791 1 4 . 1 1 163 163 ALA CA C 163 56.560 56.560 57.128 -0.568 17717 3792 1 4 . 1 1 163 163 ALA CB C 163 15.000 15.000 16.052 -1.052 17717 3793 1 4 . 1 1 163 163 ALA H H 163 7.460 7.460 8.307 -0.847 17717 3794 1 4 . 1 1 164 164 PRO CA C 164 62.800 62.800 65.837 -3.037 17717 3795 1 4 . 1 1 164 164 PRO CB C 164 31.500 31.500 31.203 0.297 17717 3796 1 4 . 1 1 165 165 HIS N N 165 120.080 120.080 117.285 2.795 17717 3797 1 4 . 1 1 165 165 HIS HA H 165 4.390 4.390 4.271 0.119 17717 3798 1 4 . 1 1 165 165 HIS CA C 165 56.000 56.000 59.778 -3.778 17717 3799 1 4 . 1 1 165 165 HIS CB C 165 28.400 28.400 29.635 -1.235 17717 3800 1 4 . 1 1 165 165 HIS H H 165 8.060 8.060 7.800 0.260 17717 3801 1 4 . 1 1 166 166 SER N N 166 116.366 116.366 114.814 1.552 17717 3802 1 4 . 1 1 166 166 SER HA H 166 4.300 4.300 4.238 0.062 17717 3803 1 4 . 1 1 166 166 SER CA C 166 61.200 61.200 62.203 -1.003 17717 3804 1 4 . 1 1 166 166 SER CB C 166 63.000 63.000 63.152 -0.152 17717 3805 1 4 . 1 1 166 166 SER H H 166 8.040 8.040 8.364 -0.324 17717 3806 1 4 . 1 1 167 167 GLU N N 167 121.678 121.678 121.312 0.366 17717 3807 1 4 . 1 1 167 167 GLU HA H 167 3.922 3.922 4.075 -0.153 17717 3808 1 4 . 1 1 167 167 GLU CA C 167 62.800 62.800 59.465 3.335 17717 3809 1 4 . 1 1 167 167 GLU CB C 167 31.100 31.100 29.494 1.606 17717 3810 1 4 . 1 1 167 167 GLU H H 167 7.760 7.760 7.707 0.053 17717 3811 1 4 . 1 1 168 168 GLN N N 168 121.147 121.147 119.237 1.910 17717 3812 1 4 . 1 1 168 168 GLN HA H 168 4.320 4.320 4.213 0.107 17717 3813 1 4 . 1 1 168 168 GLN CA C 168 55.300 55.300 58.629 -3.329 17717 3814 1 4 . 1 1 168 168 GLN CB C 168 28.200 28.200 28.914 -0.714 17717 3815 1 4 . 1 1 168 168 GLN H H 168 8.450 8.450 8.466 -0.016 17717 3816 1 4 . 1 1 170 170 ARG CA C 170 58.370 58.370 59.648 -1.278 17717 3817 1 4 . 1 1 170 170 ARG CB C 170 28.900 28.900 30.203 -1.304 17717 3818 1 4 . 1 1 171 171 GLU N N 171 117.960 117.960 119.650 -1.690 17717 3819 1 4 . 1 1 171 171 GLU HA H 171 4.140 4.140 4.127 0.013 17717 3820 1 4 . 1 1 171 171 GLU CA C 171 57.300 57.300 59.812 -2.512 17717 3821 1 4 . 1 1 171 171 GLU CB C 171 29.200 29.200 29.861 -0.661 17717 3822 1 4 . 1 1 171 171 GLU H H 171 7.730 7.730 7.744 -0.014 17717 3823 1 4 . 1 1 172 172 SER N N 172 116.366 116.366 116.644 -0.278 17717 3824 1 4 . 1 1 172 172 SER HA H 172 4.270 4.270 4.208 0.062 17717 3825 1 4 . 1 1 172 172 SER CA C 172 58.000 58.000 62.418 -4.418 17717 3826 1 4 . 1 1 172 172 SER CB C 172 63.000 63.000 62.770 0.230 17717 3827 1 4 . 1 1 172 172 SER H H 172 8.320 8.320 8.538 -0.218 17717 3828 1 4 . 1 1 173 173 LEU N N 173 124.866 124.866 122.258 2.608 17717 3829 1 4 . 1 1 173 173 LEU HA H 173 4.352 4.352 4.088 0.264 17717 3830 1 4 . 1 1 173 173 LEU CA C 173 54.540 54.540 57.558 -3.018 17717 3831 1 4 . 1 1 173 173 LEU CB C 173 41.400 41.400 41.331 0.069 17717 3832 1 4 . 1 1 173 173 LEU H H 173 8.260 8.260 7.811 0.449 17717 3833 1 4 . 1 1 174 174 ALA N N 174 126.460 126.460 121.069 5.391 17717 3834 1 4 . 1 1 174 174 ALA HA H 174 4.270 4.270 3.874 0.396 17717 3835 1 4 . 1 1 174 174 ALA CA C 174 55.400 55.400 54.811 0.589 17717 3836 1 4 . 1 1 174 174 ALA CB C 174 17.200 17.200 18.104 -0.904 17717 3837 1 4 . 1 1 174 174 ALA H H 174 8.210 8.210 7.473 0.737 17717 3838 1 4 . 1 1 175 175 GLN N N 175 117.430 117.430 118.182 -0.752 17717 3839 1 4 . 1 1 175 175 GLN HA H 175 4.060 4.060 4.031 0.029 17717 3840 1 4 . 1 1 175 175 GLN CA C 175 58.600 58.600 58.213 0.387 17717 3841 1 4 . 1 1 175 175 GLN CB C 175 27.400 27.400 28.668 -1.268 17717 3842 1 4 . 1 1 175 175 GLN H H 175 8.450 8.450 8.079 0.371 17717 3843 1 4 . 1 1 176 176 ARG N N 176 119.550 119.550 121.501 -1.951 17717 3844 1 4 . 1 1 176 176 ARG HA H 176 4.180 4.180 3.883 0.297 17717 3845 1 4 . 1 1 176 176 ARG CA C 176 56.900 56.900 59.954 -3.054 17717 3846 1 4 . 1 1 176 176 ARG CB C 176 29.300 29.300 30.200 -0.900 17717 3847 1 4 . 1 1 176 176 ARG H H 176 8.070 8.070 8.264 -0.194 17717 3848 1 4 . 1 1 177 177 LEU N N 177 115.840 115.840 116.274 -0.434 17717 3849 1 4 . 1 1 177 177 LEU HA H 177 4.180 4.180 3.880 0.300 17717 3850 1 4 . 1 1 177 177 LEU CA C 177 56.900 56.900 57.904 -1.004 17717 3851 1 4 . 1 1 177 177 LEU CB C 177 40.100 40.100 40.928 -0.828 17717 3852 1 4 . 1 1 177 177 LEU H H 177 8.330 8.330 7.467 0.863 17717 3853 1 4 . 1 1 178 178 ALA N N 178 121.220 121.220 120.871 0.349 17717 3854 1 4 . 1 1 178 178 ALA HA H 178 3.880 3.880 3.969 -0.089 17717 3855 1 4 . 1 1 178 178 ALA CA C 178 54.600 54.600 54.779 -0.179 17717 3856 1 4 . 1 1 178 178 ALA CB C 178 16.900 16.900 17.914 -1.014 17717 3857 1 4 . 1 1 178 178 ALA H H 178 8.570 8.570 7.666 0.904 17717 3858 1 4 . 1 1 179 179 GLU N N 179 118.490 118.490 119.738 -1.248 17717 3859 1 4 . 1 1 179 179 GLU HA H 179 4.180 4.180 4.085 0.095 17717 3860 1 4 . 1 1 179 179 GLU CA C 179 56.600 56.600 58.903 -2.303 17717 3861 1 4 . 1 1 179 179 GLU CB C 179 29.000 29.000 29.477 -0.477 17717 3862 1 4 . 1 1 179 179 GLU H H 179 7.680 7.680 7.870 -0.190 17717 3863 1 4 . 1 1 180 180 LEU N N 180 117.730 117.730 116.987 0.743 17717 3864 1 4 . 1 1 180 180 LEU HA H 180 4.265 4.265 4.134 0.131 17717 3865 1 4 . 1 1 180 180 LEU CA C 180 55.020 55.020 56.613 -1.593 17717 3866 1 4 . 1 1 180 180 LEU CB C 180 41.100 41.100 41.705 -0.605 17717 3867 1 4 . 1 1 180 180 LEU H H 180 7.680 7.680 7.321 0.359 17717 3868 1 4 . 1 1 181 181 LYS N N 181 117.400 117.400 117.679 -0.279 17717 3869 1 4 . 1 1 181 181 LYS HA H 181 4.480 4.480 3.961 0.519 17717 3870 1 4 . 1 1 181 181 LYS CA C 181 61.900 61.900 58.191 3.709 17717 3871 1 4 . 1 1 181 181 LYS CB C 181 31.800 31.800 32.729 -0.929 17717 3872 1 4 . 1 1 181 181 LYS H H 181 7.510 7.510 7.644 -0.134 17717 3873 1 4 . 1 1 182 182 SER N N 182 114.010 114.010 112.217 1.793 17717 3874 1 4 . 1 1 182 182 SER HA H 182 4.350 4.350 4.292 0.058 17717 3875 1 4 . 1 1 182 182 SER CA C 182 58.000 58.000 59.697 -1.697 17717 3876 1 4 . 1 1 182 182 SER CB C 182 63.300 63.300 64.073 -0.773 17717 3877 1 4 . 1 1 182 182 SER H H 182 7.920 7.920 7.916 0.004 17717 3878 1 4 . 1 1 183 183 ASN N N 183 123.040 123.040 119.276 3.764 17717 3879 1 4 . 1 1 183 183 ASN HA H 183 4.310 4.310 4.656 -0.346 17717 3880 1 4 . 1 1 183 183 ASN CA C 183 55.115 55.115 53.074 2.042 17717 3881 1 4 . 1 1 183 183 ASN CB C 183 37.838 37.838 38.207 -0.369 17717 3882 1 4 . 1 1 183 183 ASN H H 183 8.250 8.250 7.710 0.540 17717 3883 1 4 . 1 1 184 184 PRO CA C 184 63.180 63.180 64.489 -1.309 17717 3884 1 4 . 1 1 184 184 PRO CB C 184 31.400 31.400 32.338 -0.938 17717 3885 1 4 . 1 1 185 185 THR N N 185 114.240 114.240 110.286 3.954 17717 3886 1 4 . 1 1 185 185 THR HA H 185 4.270 4.270 4.503 -0.233 17717 3887 1 4 . 1 1 185 185 THR CA C 185 61.200 61.200 61.093 0.107 17717 3888 1 4 . 1 1 185 185 THR CB C 185 69.100 69.100 71.035 -1.935 17717 3889 1 4 . 1 1 185 185 THR H H 185 8.150 8.150 7.592 0.558 17717 3890 1 4 . 1 1 186 186 LEU N N 186 123.270 123.270 118.592 4.678 17717 3891 1 4 . 1 1 186 186 LEU HA H 186 4.350 4.350 4.719 -0.369 17717 3892 1 4 . 1 1 186 186 LEU CA C 186 55.000 55.000 54.877 0.123 17717 3893 1 4 . 1 1 186 186 LEU CB C 186 41.000 41.000 44.192 -3.192 17717 3894 1 4 . 1 1 186 186 LEU H H 186 8.430 8.430 7.992 0.438 17717 3895 1 4 . 1 1 187 187 ASN N N 187 119.020 119.020 121.868 -2.848 17717 3896 1 4 . 1 1 187 187 ASN HA H 187 4.530 4.530 4.878 -0.348 17717 3897 1 4 . 1 1 187 187 ASN CA C 187 53.400 53.400 53.041 0.359 17717 3898 1 4 . 1 1 187 187 ASN CB C 187 37.900 37.900 40.494 -2.594 17717 3899 1 4 . 1 1 187 187 ASN H H 187 8.370 8.370 8.544 -0.174 17717 3900 1 4 . 1 1 188 188 GLU N N 188 123.270 123.270 120.667 2.603 17717 3901 1 4 . 1 1 188 188 GLU HA H 188 4.000 4.000 4.494 -0.494 17717 3902 1 4 . 1 1 188 188 GLU CA C 188 61.700 61.700 55.893 5.807 17717 3903 1 4 . 1 1 188 188 GLU CB C 188 32.100 32.100 30.722 1.378 17717 3904 1 4 . 1 1 188 188 GLU H H 188 7.870 7.870 8.605 -0.735 17717 3905 1 4 . 1 1 189 189 TYR N N 189 122.210 122.210 123.408 -1.198 17717 3906 1 4 . 1 1 189 189 TYR HA H 189 4.440 4.440 4.353 0.087 17717 3907 1 4 . 1 1 189 189 TYR CA C 189 57.120 57.120 57.387 -0.267 17717 3908 1 4 . 1 1 189 189 TYR CB C 189 40.000 40.000 36.089 3.911 17717 3909 1 4 . 1 1 189 189 TYR H H 189 8.590 8.590 8.197 0.393 17717 3910 1 4 . 1 1 190 190 HIS N N 190 124.866 124.866 118.028 6.838 17717 3911 1 4 . 1 1 190 190 HIS HA H 190 4.780 4.780 4.262 0.518 17717 3912 1 4 . 1 1 190 190 HIS CA C 190 56.000 56.000 57.446 -1.446 17717 3913 1 4 . 1 1 190 190 HIS CB C 190 29.400 29.400 28.405 0.995 17717 3914 1 4 . 1 1 190 190 HIS H H 190 8.420 8.420 8.337 0.083 17717 3915 1 4 . 1 1 191 191 SER N N 191 117.429 117.429 110.007 7.422 17717 3916 1 4 . 1 1 191 191 SER HA H 191 4.140 4.140 4.294 -0.154 17717 3917 1 4 . 1 1 191 191 SER CA C 191 58.140 58.140 60.046 -1.906 17717 3918 1 4 . 1 1 191 191 SER CB C 191 63.140 63.140 62.444 0.696 17717 3919 1 4 . 1 1 191 191 SER H H 191 8.270 8.270 8.768 -0.498 17717 3920 1 4 . 1 1 192 192 SER N N 192 124.335 124.335 114.663 9.672 17717 3921 1 4 . 1 1 192 192 SER HA H 192 4.730 4.730 4.296 0.434 17717 3922 1 4 . 1 1 192 192 SER CA C 192 59.020 59.020 60.126 -1.106 17717 3923 1 4 . 1 1 192 192 SER CB C 192 63.000 63.000 63.525 -0.525 17717 3924 1 4 . 1 1 192 192 SER H H 192 8.010 8.010 8.170 -0.160 17717 3925 1 4 . 1 1 193 193 ALA N N 193 125.930 125.930 126.217 -0.287 17717 3926 1 4 . 1 1 193 193 ALA HA H 193 4.310 4.310 4.034 0.276 17717 3927 1 4 . 1 1 193 193 ALA CA C 193 52.300 52.300 52.746 -0.446 17717 3928 1 4 . 1 1 193 193 ALA CB C 193 18.000 18.000 17.287 0.713 17717 3929 1 4 . 1 1 193 193 ALA H H 193 8.100 8.100 8.443 -0.343 17717 3930 1 4 . 1 1 194 194 LYS N N 194 126.460 126.460 116.475 9.985 17717 3931 1 4 . 1 1 194 194 LYS HA H 194 4.220 4.220 3.994 0.226 17717 3932 1 4 . 1 1 194 194 LYS CA C 194 56.600 56.600 56.501 0.099 17717 3933 1 4 . 1 1 194 194 LYS CB C 194 33.000 33.000 31.919 1.081 17717 3934 1 4 . 1 1 194 194 LYS H H 194 7.860 7.860 8.217 -0.357 17717 3935 1 4 . 1 1 195 195 SER N N 195 117.429 117.429 110.979 6.450 17717 3936 1 4 . 1 1 195 195 SER HA H 195 4.430 4.430 4.256 0.174 17717 3937 1 4 . 1 1 195 195 SER CA C 195 58.499 58.499 59.152 -0.653 17717 3938 1 4 . 1 1 195 195 SER CB C 195 63.129 63.129 61.977 1.152 17717 3939 1 4 . 1 1 195 195 SER H H 195 8.240 8.240 8.690 -0.450 17717 3940 1 4 . 1 1 196 196 HIS N N 196 122.440 122.440 119.325 3.115 17717 3941 1 4 . 1 1 196 196 HIS HA H 196 4.222 4.222 4.214 0.008 17717 3942 1 4 . 1 1 196 196 HIS CA C 196 55.743 55.743 59.337 -3.594 17717 3943 1 4 . 1 1 196 196 HIS CB C 196 28.566 28.566 29.818 -1.252 17717 3944 1 4 . 1 1 196 196 HIS H H 196 8.044 8.044 8.900 -0.856 17717 3945 1 4 . 1 1 197 197 LEU N N 197 117.429 117.429 119.318 -1.889 17717 3946 1 4 . 1 1 197 197 LEU HA H 197 4.179 4.179 4.122 0.057 17717 3947 1 4 . 1 1 197 197 LEU CA C 197 54.540 54.540 58.193 -3.652 17717 3948 1 4 . 1 1 197 197 LEU CB C 197 40.040 40.040 41.890 -1.850 17717 3949 1 4 . 1 1 197 197 LEU H H 197 8.044 8.044 8.381 -0.337 17717 3950 1 4 . 1 1 198 198 LYS N N 198 117.430 117.430 119.130 -1.700 17717 3951 1 4 . 1 1 198 198 LYS HA H 198 4.140 4.140 4.039 0.101 17717 3952 1 4 . 1 1 198 198 LYS CA C 198 57.600 57.600 59.143 -1.543 17717 3953 1 4 . 1 1 198 198 LYS CB C 198 32.000 32.000 31.853 0.147 17717 3954 1 4 . 1 1 198 198 LYS H H 198 7.510 7.510 7.815 -0.305 17717 3955 1 4 . 1 1 199 199 SER N N 199 114.315 114.315 115.760 -1.445 17717 3956 1 4 . 1 1 199 199 SER HA H 199 4.310 4.310 4.131 0.179 17717 3957 1 4 . 1 1 199 199 SER CA C 199 62.000 62.000 61.548 0.452 17717 3958 1 4 . 1 1 199 199 SER CB C 199 63.600 63.600 63.057 0.543 17717 3959 1 4 . 1 1 199 199 SER H H 199 7.930 7.930 8.358 -0.428 17717 3960 1 4 . 1 1 200 200 LEU N N 200 124.335 124.335 121.759 2.576 17717 3961 1 4 . 1 1 200 200 LEU HA H 200 4.260 4.260 4.221 0.039 17717 3962 1 4 . 1 1 200 200 LEU CA C 200 55.200 55.200 57.414 -2.214 17717 3963 1 4 . 1 1 200 200 LEU CB C 200 41.200 41.200 41.887 -0.687 17717 3964 1 4 . 1 1 200 200 LEU H H 200 8.170 8.170 7.644 0.526 17717 3965 1 4 . 1 1 201 201 GLY N N 201 109.990 109.990 106.346 3.644 17717 3966 1 4 . 1 1 201 201 GLY CA C 201 44.700 44.700 46.946 -2.246 17717 3967 1 4 . 1 1 201 201 GLY H H 201 8.290 8.290 7.808 0.482 17717 3968 1 4 . 1 1 202 202 GLU N N 202 126.460 126.460 118.544 7.916 17717 3969 1 4 . 1 1 202 202 GLU HA H 202 4.220 4.220 4.285 -0.065 17717 3970 1 4 . 1 1 202 202 GLU CA C 202 56.600 56.600 57.567 -0.967 17717 3971 1 4 . 1 1 202 202 GLU CB C 202 32.800 32.800 29.762 3.038 17717 3972 1 4 . 1 1 202 202 GLU H H 202 7.750 7.750 7.712 0.038 17717 3973 1 4 . 1 1 203 203 LYS CA C 203 55.775 55.775 54.869 0.906 17717 3974 1 4 . 1 1 203 203 LYS CB C 203 32.283 32.283 32.683 -0.400 17717 3975 1 4 . 1 1 204 204 ALA N N 204 125.390 125.390 121.731 3.659 17717 3976 1 4 . 1 1 204 204 ALA HA H 204 4.310 4.310 4.577 -0.267 17717 3977 1 4 . 1 1 204 204 ALA CA C 204 52.000 52.000 51.066 0.934 17717 3978 1 4 . 1 1 204 204 ALA CB C 204 18.400 18.400 19.968 -1.568 17717 3979 1 4 . 1 1 204 204 ALA H H 204 8.180 8.180 7.361 0.819 17717 3980 1 4 . 1 1 205 205 ARG N N 205 121.150 121.150 118.355 2.795 17717 3981 1 4 . 1 1 205 205 ARG HA H 205 4.270 4.270 4.079 0.191 17717 3982 1 4 . 1 1 205 205 ARG CA C 205 56.384 56.384 56.910 -0.526 17717 3983 1 4 . 1 1 205 205 ARG CB C 205 29.193 29.193 29.070 0.124 17717 3984 1 4 . 1 1 205 205 ARG H H 205 8.350 8.350 8.319 0.031 17717 3985 1 4 . 1 1 206 206 PRO CA C 206 62.600 62.600 64.904 -2.304 17717 3986 1 4 . 1 1 206 206 PRO CB C 206 31.400 31.400 31.846 -0.446 17717 3987 1 4 . 1 1 207 207 ALA N N 207 125.400 125.400 120.018 5.382 17717 3988 1 4 . 1 1 207 207 ALA HA H 207 4.308 4.308 4.228 0.080 17717 3989 1 4 . 1 1 207 207 ALA CA C 207 51.700 51.700 54.041 -2.341 17717 3990 1 4 . 1 1 207 207 ALA CB C 207 18.200 18.200 18.422 -0.222 17717 3991 1 4 . 1 1 207 207 ALA H H 207 8.400 8.400 8.124 0.276 17717 3992 1 4 . 1 1 208 208 LEU N N 208 121.680 121.680 118.111 3.569 17717 3993 1 4 . 1 1 208 208 LEU HA H 208 4.480 4.480 4.320 0.160 17717 3994 1 4 . 1 1 208 208 LEU CA C 208 55.100 55.100 56.316 -1.216 17717 3995 1 4 . 1 1 208 208 LEU CB C 208 41.200 41.200 42.606 -1.406 17717 3996 1 4 . 1 1 208 208 LEU H H 208 8.180 8.180 7.648 0.532 17717 3997 1 4 . 1 1 209 209 GLU N N 209 121.147 121.147 120.700 0.447 17717 3998 1 4 . 1 1 209 209 GLU HA H 209 4.180 4.180 3.944 0.236 17717 3999 1 4 . 1 1 209 209 GLU CA C 209 56.477 56.477 59.720 -3.243 17717 4000 1 4 . 1 1 209 209 GLU CB C 209 29.250 29.250 28.474 0.776 17717 4001 1 4 . 1 1 209 209 GLU H H 209 8.380 8.380 8.071 0.309 17717 4002 1 4 . 1 1 210 210 ASP N N 210 121.147 121.147 119.239 1.908 17717 4003 1 4 . 1 1 210 210 ASP HA H 210 4.260 4.260 4.634 -0.374 17717 4004 1 4 . 1 1 210 210 ASP CA C 210 55.000 55.000 56.879 -1.879 17717 4005 1 4 . 1 1 210 210 ASP CB C 210 37.200 37.200 40.674 -3.474 17717 4006 1 4 . 1 1 210 210 ASP H H 210 8.280 8.280 8.332 -0.052 17717 4007 1 4 . 1 1 211 211 LEU N N 211 122.210 122.210 119.030 3.180 17717 4008 1 4 . 1 1 211 211 LEU HA H 211 4.220 4.220 4.087 0.133 17717 4009 1 4 . 1 1 211 211 LEU CA C 211 57.400 57.400 56.469 0.931 17717 4010 1 4 . 1 1 211 211 LEU CB C 211 39.430 39.430 41.517 -2.087 17717 4011 1 4 . 1 1 211 211 LEU H H 211 8.640 8.640 7.596 1.044 17717 4012 1 4 . 1 1 212 212 ARG N N 212 119.550 119.550 120.288 -0.738 17717 4013 1 4 . 1 1 212 212 ARG HA H 212 4.220 4.220 3.981 0.239 17717 4014 1 4 . 1 1 212 212 ARG CA C 212 57.400 57.400 59.096 -1.696 17717 4015 1 4 . 1 1 212 212 ARG CB C 212 29.600 29.600 30.418 -0.818 17717 4016 1 4 . 1 1 212 212 ARG H H 212 7.910 7.910 8.017 -0.107 17717 4017 1 4 . 1 1 213 213 HIS CA C 213 56.200 56.200 56.799 -0.599 17717 4018 1 4 . 1 1 213 213 HIS CB C 213 31.900 31.900 30.386 1.514 17717 4019 1 4 . 1 1 214 214 SER N N 214 116.366 116.366 116.818 -0.452 17717 4020 1 4 . 1 1 214 214 SER HA H 214 4.265 4.265 4.511 -0.246 17717 4021 1 4 . 1 1 214 214 SER CA C 214 61.100 61.100 57.581 3.519 17717 4022 1 4 . 1 1 214 214 SER CB C 214 63.100 63.100 62.044 1.056 17717 4023 1 4 . 1 1 214 214 SER H H 214 8.140 8.140 7.055 1.085 17717 4024 1 4 . 1 1 215 215 LEU N N 215 130.565 130.565 121.181 9.384 17717 4025 1 4 . 1 1 215 215 LEU HA H 215 4.730 4.730 4.872 -0.142 17717 4026 1 4 . 1 1 215 215 LEU CA C 215 54.900 54.900 54.185 0.715 17717 4027 1 4 . 1 1 215 215 LEU CB C 215 42.000 42.000 45.171 -3.171 17717 4028 1 4 . 1 1 215 215 LEU H H 215 7.890 7.890 7.627 0.263 17717 4029 1 5 . 1 1 2 2 GLU N N 2 121.678 121.678 121.347 0.331 17717 4030 1 5 . 1 1 2 2 GLU HA H 2 4.488 4.488 4.414 0.074 17717 4031 1 5 . 1 1 2 2 GLU CA C 2 56.418 56.418 55.560 0.858 17717 4032 1 5 . 1 1 2 2 GLU CB C 2 29.014 29.014 29.968 -0.955 17717 4033 1 5 . 1 1 2 2 GLU H H 2 8.276 8.276 8.049 0.227 17717 4034 1 5 . 1 1 3 3 PRO CA C 3 62.923 62.923 63.440 -0.516 17717 4035 1 5 . 1 1 3 3 PRO CB C 3 31.547 31.547 30.883 0.664 17717 4036 1 5 . 1 1 4 4 GLN N N 4 121.147 121.147 123.299 -2.152 17717 4037 1 5 . 1 1 4 4 GLN HA H 4 4.349 4.349 4.488 -0.139 17717 4038 1 5 . 1 1 4 4 GLN CA C 4 55.450 55.450 55.570 -0.120 17717 4039 1 5 . 1 1 4 4 GLN CB C 4 28.854 28.854 31.662 -2.808 17717 4040 1 5 . 1 1 4 4 GLN H H 4 8.500 8.500 8.258 0.242 17717 4041 1 5 . 1 1 5 5 SER N N 5 117.429 117.429 112.751 4.678 17717 4042 1 5 . 1 1 5 5 SER HA H 5 4.329 4.329 3.413 0.916 17717 4043 1 5 . 1 1 5 5 SER CA C 5 58.100 58.100 57.232 0.868 17717 4044 1 5 . 1 1 5 5 SER CB C 5 63.485 63.485 64.118 -0.633 17717 4045 1 5 . 1 1 5 5 SER H H 5 8.370 8.370 8.307 0.063 17717 4046 1 5 . 1 1 6 6 GLN N N 6 123.803 123.803 121.703 2.100 17717 4047 1 5 . 1 1 6 6 GLN CA C 6 56.330 56.330 58.419 -2.089 17717 4048 1 5 . 1 1 6 6 GLN CB C 6 28.800 28.800 28.578 0.222 17717 4049 1 5 . 1 1 6 6 GLN H H 6 8.620 8.620 8.625 -0.005 17717 4050 1 5 . 1 1 7 7 TRP N N 7 119.022 119.022 119.433 -0.411 17717 4051 1 5 . 1 1 7 7 TRP HA H 7 4.394 4.394 4.350 0.044 17717 4052 1 5 . 1 1 7 7 TRP CA C 7 59.800 59.800 60.373 -0.574 17717 4053 1 5 . 1 1 7 7 TRP CB C 7 27.800 27.800 28.146 -0.346 17717 4054 1 5 . 1 1 7 7 TRP H H 7 7.970 7.970 8.070 -0.100 17717 4055 1 5 . 1 1 8 8 ASP N N 8 121.678 121.678 120.419 1.259 17717 4056 1 5 . 1 1 8 8 ASP HA H 8 4.409 4.409 4.264 0.145 17717 4057 1 5 . 1 1 8 8 ASP CA C 8 56.912 56.912 57.217 -0.305 17717 4058 1 5 . 1 1 8 8 ASP CB C 8 38.400 38.400 40.018 -1.618 17717 4059 1 5 . 1 1 8 8 ASP H H 8 8.440 8.440 7.256 1.184 17717 4060 1 5 . 1 1 9 9 LYS N N 9 120.616 120.616 120.714 -0.098 17717 4061 1 5 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.098 -0.008 17717 4062 1 5 . 1 1 9 9 LYS CA C 9 58.277 58.277 58.643 -0.366 17717 4063 1 5 . 1 1 9 9 LYS CB C 9 31.550 31.550 32.072 -0.522 17717 4064 1 5 . 1 1 9 9 LYS H H 9 7.830 7.830 7.184 0.646 17717 4065 1 5 . 1 1 10 10 VAL N N 10 118.491 118.491 115.874 2.617 17717 4066 1 5 . 1 1 10 10 VAL HA H 10 3.830 3.830 4.228 -0.398 17717 4067 1 5 . 1 1 10 10 VAL CA C 10 65.630 65.630 66.582 -0.952 17717 4068 1 5 . 1 1 10 10 VAL CB C 10 31.300 31.300 31.375 -0.075 17717 4069 1 5 . 1 1 10 10 VAL H H 10 7.160 7.160 8.092 -0.932 17717 4070 1 5 . 1 1 11 11 LYS N N 11 122.210 122.210 119.187 3.023 17717 4071 1 5 . 1 1 11 11 LYS HA H 11 3.880 3.880 3.894 -0.014 17717 4072 1 5 . 1 1 11 11 LYS CA C 11 59.460 59.460 59.391 0.069 17717 4073 1 5 . 1 1 11 11 LYS CB C 11 31.200 31.200 32.051 -0.851 17717 4074 1 5 . 1 1 11 11 LYS H H 11 8.660 8.660 7.886 0.774 17717 4075 1 5 . 1 1 12 12 ASP N N 12 119.553 119.553 120.192 -0.639 17717 4076 1 5 . 1 1 12 12 ASP HA H 12 4.140 4.140 4.419 -0.279 17717 4077 1 5 . 1 1 12 12 ASP CA C 12 57.381 57.381 57.673 -0.292 17717 4078 1 5 . 1 1 12 12 ASP CB C 12 39.800 39.800 41.005 -1.206 17717 4079 1 5 . 1 1 12 12 ASP H H 12 7.790 7.790 7.697 0.093 17717 4080 1 5 . 1 1 13 13 PHE N N 13 116.500 116.500 118.536 -2.036 17717 4081 1 5 . 1 1 13 13 PHE HA H 13 4.690 4.690 4.220 0.470 17717 4082 1 5 . 1 1 13 13 PHE CA C 13 58.662 58.662 60.115 -1.453 17717 4083 1 5 . 1 1 13 13 PHE CB C 13 38.700 38.700 38.009 0.691 17717 4084 1 5 . 1 1 13 13 PHE H H 13 7.680 7.680 7.688 -0.008 17717 4085 1 5 . 1 1 14 14 ALA N N 14 122.209 122.209 122.621 -0.412 17717 4086 1 5 . 1 1 14 14 ALA HA H 14 4.008 4.008 3.768 0.240 17717 4087 1 5 . 1 1 14 14 ALA CA C 14 54.550 54.550 54.800 -0.249 17717 4088 1 5 . 1 1 14 14 ALA CB C 14 17.250 17.250 18.017 -0.766 17717 4089 1 5 . 1 1 14 14 ALA H H 14 8.760 8.760 7.440 1.320 17717 4090 1 5 . 1 1 15 15 ASN N N 15 119.553 119.553 114.889 4.664 17717 4091 1 5 . 1 1 15 15 ASN HA H 15 4.520 4.520 4.367 0.153 17717 4092 1 5 . 1 1 15 15 ASN CA C 15 56.084 56.084 55.185 0.899 17717 4093 1 5 . 1 1 15 15 ASN CB C 15 38.544 38.544 38.406 0.138 17717 4094 1 5 . 1 1 15 15 ASN H H 15 8.930 8.930 7.552 1.378 17717 4095 1 5 . 1 1 16 16 VAL N N 16 116.897 116.897 122.092 -5.195 17717 4096 1 5 . 1 1 16 16 VAL HA H 16 3.590 3.590 3.585 0.005 17717 4097 1 5 . 1 1 16 16 VAL CA C 16 64.600 64.600 67.481 -2.881 17717 4098 1 5 . 1 1 16 16 VAL CB C 16 31.800 31.800 31.511 0.289 17717 4099 1 5 . 1 1 16 16 VAL H H 16 7.870 7.870 7.406 0.464 17717 4100 1 5 . 1 1 17 17 TYR N N 17 112.116 112.116 117.550 -5.434 17717 4101 1 5 . 1 1 17 17 TYR HA H 17 4.751 4.751 4.359 0.392 17717 4102 1 5 . 1 1 17 17 TYR CA C 17 59.040 59.040 60.530 -1.490 17717 4103 1 5 . 1 1 17 17 TYR CB C 17 39.060 39.060 37.206 1.854 17717 4104 1 5 . 1 1 17 17 TYR H H 17 8.000 8.000 8.261 -0.261 17717 4105 1 5 . 1 1 18 18 VAL N N 18 114.241 114.241 120.482 -6.241 17717 4106 1 5 . 1 1 18 18 VAL HA H 18 4.220 4.220 3.385 0.835 17717 4107 1 5 . 1 1 18 18 VAL CA C 18 63.520 63.520 66.476 -2.956 17717 4108 1 5 . 1 1 18 18 VAL CB C 18 31.128 31.128 31.361 -0.233 17717 4109 1 5 . 1 1 18 18 VAL H H 18 7.600 7.600 6.812 0.788 17717 4110 1 5 . 1 1 19 19 ASP N N 19 123.272 123.272 120.136 3.136 17717 4111 1 5 . 1 1 19 19 ASP HA H 19 4.523 4.523 4.369 0.154 17717 4112 1 5 . 1 1 19 19 ASP CA C 19 56.445 56.445 57.717 -1.272 17717 4113 1 5 . 1 1 19 19 ASP CB C 19 38.700 38.700 40.853 -2.153 17717 4114 1 5 . 1 1 19 19 ASP H H 19 8.890 8.890 8.114 0.776 17717 4115 1 5 . 1 1 20 20 ALA N N 20 118.491 118.491 122.705 -4.214 17717 4116 1 5 . 1 1 20 20 ALA HA H 20 4.230 4.230 4.268 -0.038 17717 4117 1 5 . 1 1 20 20 ALA CA C 20 54.100 54.100 55.227 -1.127 17717 4118 1 5 . 1 1 20 20 ALA CB C 20 18.760 18.760 18.962 -0.202 17717 4119 1 5 . 1 1 20 20 ALA H H 20 6.630 6.630 7.521 -0.891 17717 4120 1 5 . 1 1 21 21 VAL N N 21 116.897 116.897 116.297 0.600 17717 4121 1 5 . 1 1 21 21 VAL HA H 21 3.664 3.664 3.762 -0.098 17717 4122 1 5 . 1 1 21 21 VAL CA C 21 66.200 66.200 65.346 0.854 17717 4123 1 5 . 1 1 21 21 VAL CB C 21 30.460 30.460 31.200 -0.740 17717 4124 1 5 . 1 1 21 21 VAL H H 21 7.410 7.410 7.673 -0.263 17717 4125 1 5 . 1 1 22 22 LYS N N 22 121.147 121.147 120.704 0.443 17717 4126 1 5 . 1 1 22 22 LYS HA H 22 4.222 4.222 4.045 0.177 17717 4127 1 5 . 1 1 22 22 LYS CA C 22 59.300 59.300 59.385 -0.085 17717 4128 1 5 . 1 1 22 22 LYS CB C 22 31.100 31.100 31.988 -0.888 17717 4129 1 5 . 1 1 22 22 LYS H H 22 8.180 8.180 8.355 -0.175 17717 4130 1 5 . 1 1 23 23 ASP N N 23 121.278 121.278 118.904 2.374 17717 4131 1 5 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.509 0.057 17717 4132 1 5 . 1 1 23 23 ASP CA C 23 56.300 56.300 56.936 -0.636 17717 4133 1 5 . 1 1 23 23 ASP CB C 23 38.800 38.800 40.652 -1.852 17717 4134 1 5 . 1 1 23 23 ASP H H 23 8.860 8.860 7.849 1.011 17717 4135 1 5 . 1 1 24 24 SER N N 24 118.491 118.491 114.824 3.667 17717 4136 1 5 . 1 1 24 24 SER HA H 24 4.132 4.132 3.898 0.234 17717 4137 1 5 . 1 1 24 24 SER CA C 24 61.600 61.600 60.659 0.941 17717 4138 1 5 . 1 1 24 24 SER CB C 24 62.442 62.442 62.208 0.234 17717 4139 1 5 . 1 1 24 24 SER H H 24 7.950 7.950 7.961 -0.011 17717 4140 1 5 . 1 1 25 25 GLY N N 25 108.377 108.377 110.969 -2.592 17717 4141 1 5 . 1 1 25 25 GLY CA C 25 44.400 44.400 46.712 -2.312 17717 4142 1 5 . 1 1 25 25 GLY H H 25 7.560 7.560 7.745 -0.185 17717 4143 1 5 . 1 1 26 26 ARG N N 26 124.240 124.240 121.602 2.638 17717 4144 1 5 . 1 1 26 26 ARG HA H 26 4.303 4.303 4.142 0.161 17717 4145 1 5 . 1 1 26 26 ARG CA C 26 54.000 54.000 58.550 -4.550 17717 4146 1 5 . 1 1 26 26 ARG CB C 26 28.240 28.240 29.860 -1.620 17717 4147 1 5 . 1 1 26 26 ARG H H 26 8.200 8.200 7.746 0.454 17717 4148 1 5 . 1 1 27 27 ASP N N 27 121.678 121.678 119.021 2.657 17717 4149 1 5 . 1 1 27 27 ASP HA H 27 4.211 4.211 4.539 -0.328 17717 4150 1 5 . 1 1 27 27 ASP CA C 27 58.380 58.380 57.150 1.230 17717 4151 1 5 . 1 1 27 27 ASP CB C 27 40.400 40.400 41.606 -1.206 17717 4152 1 5 . 1 1 27 27 ASP H H 27 7.880 7.880 7.695 0.185 17717 4153 1 5 . 1 1 28 28 TYR N N 28 121.440 121.440 122.330 -0.890 17717 4154 1 5 . 1 1 28 28 TYR HA H 28 4.480 4.480 4.817 -0.337 17717 4155 1 5 . 1 1 28 28 TYR CA C 28 57.800 57.800 60.026 -2.226 17717 4156 1 5 . 1 1 28 28 TYR CB C 28 38.322 38.322 38.714 -0.392 17717 4157 1 5 . 1 1 28 28 TYR H H 28 8.020 8.020 8.313 -0.293 17717 4158 1 5 . 1 1 29 29 VAL N N 29 123.272 123.272 118.461 4.811 17717 4159 1 5 . 1 1 29 29 VAL HA H 29 4.040 4.040 3.475 0.565 17717 4160 1 5 . 1 1 29 29 VAL CA C 29 66.400 66.400 64.569 1.831 17717 4161 1 5 . 1 1 29 29 VAL CB C 29 30.500 30.500 30.925 -0.425 17717 4162 1 5 . 1 1 29 29 VAL H H 29 8.280 8.280 8.158 0.122 17717 4163 1 5 . 1 1 30 30 SER N N 30 117.429 117.429 115.920 1.509 17717 4164 1 5 . 1 1 30 30 SER HA H 30 4.000 4.000 4.027 -0.027 17717 4165 1 5 . 1 1 30 30 SER CA C 30 61.070 61.070 61.820 -0.750 17717 4166 1 5 . 1 1 30 30 SER CB C 30 62.000 62.000 62.922 -0.922 17717 4167 1 5 . 1 1 30 30 SER H H 30 8.930 8.930 7.591 1.339 17717 4168 1 5 . 1 1 31 31 GLN N N 31 121.147 121.147 121.170 -0.023 17717 4169 1 5 . 1 1 31 31 GLN HA H 31 4.136 4.136 4.033 0.103 17717 4170 1 5 . 1 1 31 31 GLN CA C 31 58.210 58.210 58.677 -0.467 17717 4171 1 5 . 1 1 31 31 GLN CB C 31 27.600 27.600 28.550 -0.951 17717 4172 1 5 . 1 1 31 31 GLN H H 31 7.740 7.740 7.530 0.210 17717 4173 1 5 . 1 1 32 32 PHE N N 32 117.429 117.429 119.906 -2.477 17717 4174 1 5 . 1 1 32 32 PHE HA H 32 4.020 4.020 3.994 0.026 17717 4175 1 5 . 1 1 32 32 PHE CA C 32 60.600 60.600 61.219 -0.620 17717 4176 1 5 . 1 1 32 32 PHE CB C 32 36.896 36.896 38.772 -1.876 17717 4177 1 5 . 1 1 32 32 PHE H H 32 7.200 7.200 7.634 -0.434 17717 4178 1 5 . 1 1 33 33 GLU N N 33 122.210 122.210 118.627 3.583 17717 4179 1 5 . 1 1 33 33 GLU HA H 33 4.769 4.769 3.573 1.196 17717 4180 1 5 . 1 1 33 33 GLU CA C 33 59.220 59.220 58.783 0.437 17717 4181 1 5 . 1 1 33 33 GLU CB C 33 29.240 29.240 29.035 0.204 17717 4182 1 5 . 1 1 33 33 GLU H H 33 8.160 8.160 7.783 0.377 17717 4183 1 5 . 1 1 34 34 SER N N 34 109.991 109.991 113.893 -3.902 17717 4184 1 5 . 1 1 34 34 SER HA H 34 4.309 4.309 4.242 0.067 17717 4185 1 5 . 1 1 34 34 SER CA C 34 58.240 58.240 60.894 -2.654 17717 4186 1 5 . 1 1 34 34 SER CB C 34 63.260 63.260 62.802 0.458 17717 4187 1 5 . 1 1 34 34 SER H H 34 7.890 7.890 7.719 0.171 17717 4188 1 5 . 1 1 35 35 SER N N 35 120.085 120.085 118.551 1.534 17717 4189 1 5 . 1 1 35 35 SER HA H 35 4.354 4.354 4.118 0.236 17717 4190 1 5 . 1 1 35 35 SER CA C 35 58.100 58.100 61.695 -3.595 17717 4191 1 5 . 1 1 35 35 SER CB C 35 64.398 64.398 62.704 1.694 17717 4192 1 5 . 1 1 35 35 SER H H 35 7.420 7.420 8.033 -0.613 17717 4193 1 5 . 1 1 36 36 SER N N 36 116.130 116.130 118.734 -2.604 17717 4194 1 5 . 1 1 36 36 SER HA H 36 4.350 4.350 4.062 0.288 17717 4195 1 5 . 1 1 36 36 SER CA C 36 58.600 58.600 61.870 -3.270 17717 4196 1 5 . 1 1 36 36 SER CB C 36 63.370 63.370 62.785 0.585 17717 4197 1 5 . 1 1 36 36 SER H H 36 8.100 8.100 7.498 0.602 17717 4198 1 5 . 1 1 37 37 LEU N N 37 121.678 121.678 121.430 0.248 17717 4199 1 5 . 1 1 37 37 LEU HA H 37 4.222 4.222 4.066 0.156 17717 4200 1 5 . 1 1 37 37 LEU CA C 37 56.400 56.400 57.024 -0.624 17717 4201 1 5 . 1 1 37 37 LEU CB C 37 41.200 41.200 41.797 -0.597 17717 4202 1 5 . 1 1 37 37 LEU H H 37 8.290 8.290 7.389 0.901 17717 4203 1 5 . 1 1 38 38 GLY N N 38 108.400 108.400 104.616 3.784 17717 4204 1 5 . 1 1 38 38 GLY CA C 38 46.220 46.220 46.452 -0.232 17717 4205 1 5 . 1 1 38 38 GLY H H 38 7.280 7.280 8.016 -0.736 17717 4206 1 5 . 1 1 39 39 GLN N N 39 120.920 120.920 122.505 -1.585 17717 4207 1 5 . 1 1 39 39 GLN HA H 39 4.092 4.092 3.860 0.232 17717 4208 1 5 . 1 1 39 39 GLN CA C 39 57.423 57.423 58.703 -1.280 17717 4209 1 5 . 1 1 39 39 GLN CB C 39 28.847 28.847 28.305 0.542 17717 4210 1 5 . 1 1 39 39 GLN H H 39 8.360 8.360 7.771 0.589 17717 4211 1 5 . 1 1 40 40 GLN N N 40 118.648 118.648 118.866 -0.218 17717 4212 1 5 . 1 1 40 40 GLN HA H 40 4.040 4.040 4.033 0.007 17717 4213 1 5 . 1 1 40 40 GLN CA C 40 57.471 57.471 58.437 -0.966 17717 4214 1 5 . 1 1 40 40 GLN CB C 40 28.777 28.777 28.417 0.360 17717 4215 1 5 . 1 1 40 40 GLN H H 40 7.630 7.630 7.609 0.021 17717 4216 1 5 . 1 1 41 41 LEU N N 41 116.800 116.800 121.811 -5.011 17717 4217 1 5 . 1 1 41 41 LEU HA H 41 4.222 4.222 3.963 0.259 17717 4218 1 5 . 1 1 41 41 LEU CA C 41 55.400 55.400 58.064 -2.664 17717 4219 1 5 . 1 1 41 41 LEU CB C 41 41.754 41.754 41.990 -0.236 17717 4220 1 5 . 1 1 41 41 LEU H H 41 8.010 8.010 7.828 0.182 17717 4221 1 5 . 1 1 42 42 ASN N N 42 115.840 115.840 117.462 -1.622 17717 4222 1 5 . 1 1 42 42 ASN HA H 42 4.485 4.485 4.356 0.129 17717 4223 1 5 . 1 1 42 42 ASN CA C 42 53.500 53.500 56.213 -2.713 17717 4224 1 5 . 1 1 42 42 ASN CB C 42 37.000 37.000 38.590 -1.590 17717 4225 1 5 . 1 1 42 42 ASN H H 42 7.840 7.840 7.836 0.004 17717 4226 1 5 . 1 1 43 43 LEU N N 43 118.490 118.490 120.423 -1.933 17717 4227 1 5 . 1 1 43 43 LEU HA H 43 4.480 4.480 4.015 0.465 17717 4228 1 5 . 1 1 43 43 LEU CA C 43 55.502 55.502 57.813 -2.311 17717 4229 1 5 . 1 1 43 43 LEU CB C 43 41.200 41.200 41.281 -0.081 17717 4230 1 5 . 1 1 43 43 LEU H H 43 9.670 9.670 7.832 1.838 17717 4231 1 5 . 1 1 44 44 ASN N N 44 119.553 119.553 117.336 2.217 17717 4232 1 5 . 1 1 44 44 ASN HA H 44 4.520 4.520 4.421 0.099 17717 4233 1 5 . 1 1 44 44 ASN CA C 44 52.770 52.770 56.478 -3.708 17717 4234 1 5 . 1 1 44 44 ASN CB C 44 36.200 36.200 38.573 -2.373 17717 4235 1 5 . 1 1 44 44 ASN H H 44 8.950 8.950 7.930 1.020 17717 4236 1 5 . 1 1 45 45 LEU N N 45 119.553 119.553 117.420 2.133 17717 4237 1 5 . 1 1 45 45 LEU HA H 45 4.048 4.048 4.357 -0.309 17717 4238 1 5 . 1 1 45 45 LEU CA C 45 55.569 55.569 57.886 -2.317 17717 4239 1 5 . 1 1 45 45 LEU CB C 45 41.250 41.250 41.654 -0.404 17717 4240 1 5 . 1 1 45 45 LEU H H 45 8.970 8.970 7.651 1.319 17717 4241 1 5 . 1 1 46 46 LEU N N 46 116.900 116.900 118.601 -1.701 17717 4242 1 5 . 1 1 46 46 LEU HA H 46 4.351 4.351 4.147 0.204 17717 4243 1 5 . 1 1 46 46 LEU CA C 46 54.684 54.684 57.355 -2.671 17717 4244 1 5 . 1 1 46 46 LEU CB C 46 39.800 39.800 42.457 -2.657 17717 4245 1 5 . 1 1 46 46 LEU H H 46 8.450 8.450 7.194 1.256 17717 4246 1 5 . 1 1 47 47 GLU N N 47 122.741 122.741 117.981 4.760 17717 4247 1 5 . 1 1 47 47 GLU HA H 47 4.018 4.018 4.078 -0.060 17717 4248 1 5 . 1 1 47 47 GLU CA C 47 58.280 58.280 59.021 -0.741 17717 4249 1 5 . 1 1 47 47 GLU CB C 47 28.800 28.800 29.713 -0.913 17717 4250 1 5 . 1 1 47 47 GLU H H 47 7.490 7.490 7.913 -0.423 17717 4251 1 5 . 1 1 48 48 ASN N N 48 117.200 117.200 118.964 -1.764 17717 4252 1 5 . 1 1 48 48 ASN HA H 48 4.300 4.300 4.485 -0.185 17717 4253 1 5 . 1 1 48 48 ASN CA C 48 53.550 53.550 55.778 -2.228 17717 4254 1 5 . 1 1 48 48 ASN CB C 48 38.490 38.490 38.485 0.005 17717 4255 1 5 . 1 1 48 48 ASN H H 48 8.450 8.450 8.431 0.019 17717 4256 1 5 . 1 1 49 49 TRP N N 49 119.320 119.320 118.803 0.517 17717 4257 1 5 . 1 1 49 49 TRP HA H 49 4.300 4.300 4.331 -0.031 17717 4258 1 5 . 1 1 49 49 TRP CA C 49 56.200 56.200 59.614 -3.414 17717 4259 1 5 . 1 1 49 49 TRP CB C 49 27.800 27.800 29.543 -1.743 17717 4260 1 5 . 1 1 49 49 TRP H H 49 8.050 8.050 7.814 0.236 17717 4261 1 5 . 1 1 50 50 ASP N N 50 124.860 124.860 114.034 10.826 17717 4262 1 5 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.668 0.022 17717 4263 1 5 . 1 1 50 50 ASP CA C 50 54.180 54.180 54.976 -0.796 17717 4264 1 5 . 1 1 50 50 ASP CB C 50 40.318 40.318 42.025 -1.707 17717 4265 1 5 . 1 1 50 50 ASP H H 50 8.470 8.470 8.030 0.440 17717 4266 1 5 . 1 1 51 51 THR N N 51 114.240 114.240 114.025 0.215 17717 4267 1 5 . 1 1 51 51 THR HA H 51 4.250 4.250 4.103 0.147 17717 4268 1 5 . 1 1 51 51 THR CA C 51 61.800 61.800 63.839 -2.039 17717 4269 1 5 . 1 1 51 51 THR CB C 51 69.000 69.000 69.311 -0.311 17717 4270 1 5 . 1 1 51 51 THR H H 51 7.920 7.920 8.041 -0.121 17717 4271 1 5 . 1 1 52 52 LEU N N 52 124.335 124.335 122.459 1.876 17717 4272 1 5 . 1 1 52 52 LEU HA H 52 4.261 4.261 3.974 0.287 17717 4273 1 5 . 1 1 52 52 LEU CA C 52 54.800 54.800 55.767 -0.967 17717 4274 1 5 . 1 1 52 52 LEU CB C 52 41.200 41.200 41.329 -0.129 17717 4275 1 5 . 1 1 52 52 LEU H H 52 8.000 8.000 8.236 -0.236 17717 4276 1 5 . 1 1 53 53 GLY N N 53 109.991 109.991 108.930 1.061 17717 4277 1 5 . 1 1 53 53 GLY CA C 53 44.700 44.700 45.302 -0.602 17717 4278 1 5 . 1 1 53 53 GLY H H 53 8.450 8.450 8.709 -0.259 17717 4279 1 5 . 1 1 54 54 SER N N 54 113.710 113.710 115.266 -1.556 17717 4280 1 5 . 1 1 54 54 SER HA H 54 4.480 4.480 4.330 0.150 17717 4281 1 5 . 1 1 54 54 SER CA C 54 57.300 57.300 59.228 -1.928 17717 4282 1 5 . 1 1 54 54 SER CB C 54 63.100 63.100 62.982 0.118 17717 4283 1 5 . 1 1 54 54 SER H H 54 8.060 8.060 8.433 -0.373 17717 4284 1 5 . 1 1 55 55 THR N N 55 116.897 116.897 114.364 2.533 17717 4285 1 5 . 1 1 55 55 THR HA H 55 4.044 4.044 4.491 -0.447 17717 4286 1 5 . 1 1 55 55 THR CA C 55 61.700 61.700 61.185 0.515 17717 4287 1 5 . 1 1 55 55 THR CB C 55 69.800 69.800 70.425 -0.625 17717 4288 1 5 . 1 1 55 55 THR H H 55 8.210 8.210 7.909 0.301 17717 4289 1 5 . 1 1 56 56 VAL N N 56 123.300 123.300 117.009 6.291 17717 4290 1 5 . 1 1 56 56 VAL HA H 56 3.793 3.793 4.527 -0.734 17717 4291 1 5 . 1 1 56 56 VAL CA C 56 66.384 66.384 61.392 4.992 17717 4292 1 5 . 1 1 56 56 VAL CB C 56 30.268 30.268 31.434 -1.166 17717 4293 1 5 . 1 1 56 56 VAL H H 56 8.280 8.280 8.288 -0.008 17717 4294 1 5 . 1 1 57 57 SER N N 57 117.429 117.429 116.121 1.308 17717 4295 1 5 . 1 1 57 57 SER HA H 57 4.136 4.136 4.171 -0.035 17717 4296 1 5 . 1 1 57 57 SER CA C 57 61.100 61.100 61.217 -0.117 17717 4297 1 5 . 1 1 57 57 SER CB C 57 62.800 62.800 63.385 -0.585 17717 4298 1 5 . 1 1 57 57 SER H H 57 7.850 7.850 8.667 -0.817 17717 4299 1 5 . 1 1 58 58 GLN N N 58 128.580 128.580 114.232 14.348 17717 4300 1 5 . 1 1 58 58 GLN HA H 58 4.260 4.260 4.390 -0.130 17717 4301 1 5 . 1 1 58 58 GLN CA C 58 56.642 56.642 57.164 -0.523 17717 4302 1 5 . 1 1 58 58 GLN CB C 58 29.023 29.023 28.816 0.207 17717 4303 1 5 . 1 1 58 58 GLN H H 58 7.990 7.990 8.337 -0.347 17717 4304 1 5 . 1 1 59 59 LEU N N 59 122.210 122.210 120.064 2.146 17717 4305 1 5 . 1 1 59 59 LEU HA H 59 4.310 4.310 3.971 0.339 17717 4306 1 5 . 1 1 59 59 LEU CA C 59 55.300 55.300 58.766 -3.466 17717 4307 1 5 . 1 1 59 59 LEU CB C 59 41.160 41.160 40.940 0.220 17717 4308 1 5 . 1 1 59 59 LEU H H 59 8.050 8.050 8.407 -0.357 17717 4309 1 5 . 1 1 60 60 GLN N N 60 120.085 120.085 118.416 1.669 17717 4310 1 5 . 1 1 60 60 GLN HA H 60 4.222 4.222 4.048 0.174 17717 4311 1 5 . 1 1 60 60 GLN CA C 60 55.960 55.960 59.197 -3.237 17717 4312 1 5 . 1 1 60 60 GLN CB C 60 27.900 27.900 28.265 -0.365 17717 4313 1 5 . 1 1 60 60 GLN H H 60 8.210 8.210 8.537 -0.327 17717 4314 1 5 . 1 1 61 61 GLU N N 61 120.920 120.920 118.920 2.000 17717 4315 1 5 . 1 1 61 61 GLU HA H 61 4.216 4.216 3.994 0.222 17717 4316 1 5 . 1 1 61 61 GLU CA C 61 56.900 56.900 59.330 -2.430 17717 4317 1 5 . 1 1 61 61 GLU CB C 61 28.500 28.500 29.390 -0.890 17717 4318 1 5 . 1 1 61 61 GLU H H 61 8.590 8.590 8.472 0.118 17717 4319 1 5 . 1 1 62 62 ARG N N 62 118.833 118.833 118.304 0.529 17717 4320 1 5 . 1 1 62 62 ARG HA H 62 4.161 4.161 4.227 -0.066 17717 4321 1 5 . 1 1 62 62 ARG CA C 62 58.030 58.030 58.386 -0.356 17717 4322 1 5 . 1 1 62 62 ARG CB C 62 29.400 29.400 30.644 -1.244 17717 4323 1 5 . 1 1 62 62 ARG H H 62 7.680 7.680 8.277 -0.597 17717 4324 1 5 . 1 1 63 63 LEU N N 63 118.790 118.790 120.710 -1.920 17717 4325 1 5 . 1 1 63 63 LEU HA H 63 4.100 4.100 4.088 0.012 17717 4326 1 5 . 1 1 63 63 LEU CA C 63 56.360 56.360 57.448 -1.088 17717 4327 1 5 . 1 1 63 63 LEU CB C 63 41.130 41.130 41.348 -0.218 17717 4328 1 5 . 1 1 63 63 LEU H H 63 8.320 8.320 7.774 0.546 17717 4329 1 5 . 1 1 64 64 GLY N N 64 104.679 104.679 108.101 -3.422 17717 4330 1 5 . 1 1 64 64 GLY CA C 64 44.145 44.145 48.054 -3.909 17717 4331 1 5 . 1 1 64 64 GLY H H 64 7.220 7.220 8.291 -1.071 17717 4332 1 5 . 1 1 65 65 PRO CA C 65 62.817 62.817 64.874 -2.057 17717 4333 1 5 . 1 1 65 65 PRO CB C 65 31.290 31.290 31.429 -0.139 17717 4334 1 5 . 1 1 66 66 LEU N N 66 124.866 124.866 120.813 4.053 17717 4335 1 5 . 1 1 66 66 LEU HA H 66 4.609 4.609 4.304 0.305 17717 4336 1 5 . 1 1 66 66 LEU CA C 66 52.900 52.900 58.756 -5.856 17717 4337 1 5 . 1 1 66 66 LEU CB C 66 43.200 43.200 41.057 2.143 17717 4338 1 5 . 1 1 66 66 LEU H H 66 8.550 8.550 8.046 0.504 17717 4339 1 5 . 1 1 67 67 THR N N 67 112.116 112.116 113.067 -0.951 17717 4340 1 5 . 1 1 67 67 THR HA H 67 4.824 4.824 4.452 0.372 17717 4341 1 5 . 1 1 67 67 THR CA C 67 59.240 59.240 66.010 -6.770 17717 4342 1 5 . 1 1 67 67 THR CB C 67 71.550 71.550 68.982 2.568 17717 4343 1 5 . 1 1 67 67 THR H H 67 7.650 7.650 7.883 -0.234 17717 4344 1 5 . 1 1 68 68 ARG N N 68 120.085 120.085 119.890 0.195 17717 4345 1 5 . 1 1 68 68 ARG HA H 68 4.230 4.230 3.973 0.257 17717 4346 1 5 . 1 1 68 68 ARG CA C 68 58.600 58.600 59.328 -0.728 17717 4347 1 5 . 1 1 68 68 ARG CB C 68 28.900 28.900 30.069 -1.169 17717 4348 1 5 . 1 1 68 68 ARG H H 68 8.950 8.950 7.543 1.407 17717 4349 1 5 . 1 1 69 69 ASP N N 69 116.366 116.366 119.929 -3.563 17717 4350 1 5 . 1 1 69 69 ASP HA H 69 4.249 4.249 4.367 -0.118 17717 4351 1 5 . 1 1 69 69 ASP CA C 69 56.100 56.100 58.430 -2.330 17717 4352 1 5 . 1 1 69 69 ASP CB C 69 39.550 39.550 40.782 -1.232 17717 4353 1 5 . 1 1 69 69 ASP H H 69 8.100 8.100 7.861 0.239 17717 4354 1 5 . 1 1 70 70 PHE N N 70 119.553 119.553 118.778 0.775 17717 4355 1 5 . 1 1 70 70 PHE HA H 70 4.090 4.090 3.894 0.196 17717 4356 1 5 . 1 1 70 70 PHE CA C 70 60.700 60.700 59.221 1.479 17717 4357 1 5 . 1 1 70 70 PHE CB C 70 38.100 38.100 37.580 0.520 17717 4358 1 5 . 1 1 70 70 PHE H H 70 7.420 7.420 7.101 0.319 17717 4359 1 5 . 1 1 71 71 TRP N N 71 120.085 120.085 122.341 -2.256 17717 4360 1 5 . 1 1 71 71 TRP HA H 71 4.044 4.044 3.243 0.801 17717 4361 1 5 . 1 1 71 71 TRP CA C 71 58.100 58.100 61.585 -3.485 17717 4362 1 5 . 1 1 71 71 TRP CB C 71 28.100 28.100 28.733 -0.633 17717 4363 1 5 . 1 1 71 71 TRP H H 71 6.950 6.950 7.077 -0.127 17717 4364 1 5 . 1 1 72 72 ASP N N 72 121.450 121.450 117.562 3.888 17717 4365 1 5 . 1 1 72 72 ASP HA H 72 4.310 4.310 3.418 0.892 17717 4366 1 5 . 1 1 72 72 ASP CA C 72 55.350 55.350 56.566 -1.216 17717 4367 1 5 . 1 1 72 72 ASP CB C 72 40.000 40.000 40.352 -0.352 17717 4368 1 5 . 1 1 72 72 ASP H H 72 8.350 8.350 7.725 0.625 17717 4369 1 5 . 1 1 73 73 ASN N N 73 117.200 117.200 118.485 -1.285 17717 4370 1 5 . 1 1 73 73 ASN HA H 73 4.220 4.220 4.362 -0.142 17717 4371 1 5 . 1 1 73 73 ASN CA C 73 54.500 54.500 56.627 -2.127 17717 4372 1 5 . 1 1 73 73 ASN CB C 73 40.000 40.000 38.862 1.137 17717 4373 1 5 . 1 1 73 73 ASN H H 73 7.700 7.700 7.637 0.063 17717 4374 1 5 . 1 1 74 74 LEU N N 74 123.600 123.600 119.961 3.639 17717 4375 1 5 . 1 1 74 74 LEU HA H 74 4.350 4.350 4.396 -0.046 17717 4376 1 5 . 1 1 74 74 LEU CA C 74 54.700 54.700 57.751 -3.051 17717 4377 1 5 . 1 1 74 74 LEU CB C 74 41.400 41.400 42.184 -0.784 17717 4378 1 5 . 1 1 74 74 LEU H H 74 8.330 8.330 8.385 -0.055 17717 4379 1 5 . 1 1 75 75 GLU N N 75 121.400 121.400 120.592 0.808 17717 4380 1 5 . 1 1 75 75 GLU HA H 75 4.000 4.000 3.795 0.205 17717 4381 1 5 . 1 1 75 75 GLU CA C 75 58.200 58.200 59.124 -0.924 17717 4382 1 5 . 1 1 75 75 GLU CB C 75 28.400 28.400 28.753 -0.353 17717 4383 1 5 . 1 1 75 75 GLU H H 75 8.600 8.600 8.217 0.383 17717 4384 1 5 . 1 1 76 76 LYS N N 76 118.000 118.000 118.606 -0.606 17717 4385 1 5 . 1 1 76 76 LYS HA H 76 4.117 4.117 4.114 0.003 17717 4386 1 5 . 1 1 76 76 LYS CA C 76 58.400 58.400 58.955 -0.555 17717 4387 1 5 . 1 1 76 76 LYS CB C 76 32.480 32.480 32.485 -0.005 17717 4388 1 5 . 1 1 76 76 LYS H H 76 7.690 7.690 7.366 0.324 17717 4389 1 5 . 1 1 77 77 GLU N N 77 115.835 115.835 119.058 -3.223 17717 4390 1 5 . 1 1 77 77 GLU HA H 77 4.310 4.310 3.987 0.323 17717 4391 1 5 . 1 1 77 77 GLU CA C 77 54.785 54.785 60.183 -5.398 17717 4392 1 5 . 1 1 77 77 GLU CB C 77 28.355 28.355 29.431 -1.076 17717 4393 1 5 . 1 1 77 77 GLU H H 77 8.290 8.290 7.815 0.475 17717 4394 1 5 . 1 1 78 78 THR N N 78 120.300 120.300 112.441 7.859 17717 4395 1 5 . 1 1 78 78 THR HA H 78 4.410 4.410 3.909 0.501 17717 4396 1 5 . 1 1 78 78 THR CA C 78 68.100 68.100 66.461 1.639 17717 4397 1 5 . 1 1 78 78 THR CB C 78 69.451 69.451 68.660 0.791 17717 4398 1 5 . 1 1 78 78 THR H H 78 7.490 7.490 8.247 -0.757 17717 4399 1 5 . 1 1 79 79 ASP N N 79 120.085 120.085 121.930 -1.845 17717 4400 1 5 . 1 1 79 79 ASP HA H 79 4.480 4.480 4.362 0.118 17717 4401 1 5 . 1 1 79 79 ASP CA C 79 57.426 57.426 57.320 0.106 17717 4402 1 5 . 1 1 79 79 ASP CB C 79 39.240 39.240 40.784 -1.544 17717 4403 1 5 . 1 1 79 79 ASP H H 79 8.880 8.880 7.752 1.128 17717 4404 1 5 . 1 1 80 80 TRP N N 80 123.803 123.803 121.883 1.920 17717 4405 1 5 . 1 1 80 80 TRP HA H 80 4.280 4.280 4.358 -0.078 17717 4406 1 5 . 1 1 80 80 TRP CA C 80 60.660 60.660 61.657 -0.997 17717 4407 1 5 . 1 1 80 80 TRP CB C 80 27.000 27.000 30.418 -3.417 17717 4408 1 5 . 1 1 80 80 TRP H H 80 7.760 7.760 7.954 -0.194 17717 4409 1 5 . 1 1 81 81 VAL N N 81 118.790 118.790 117.369 1.421 17717 4410 1 5 . 1 1 81 81 VAL HA H 81 4.280 4.280 3.877 0.403 17717 4411 1 5 . 1 1 81 81 VAL CA C 81 61.200 61.200 66.362 -5.162 17717 4412 1 5 . 1 1 81 81 VAL CB C 81 29.900 29.900 31.732 -1.832 17717 4413 1 5 . 1 1 81 81 VAL H H 81 8.160 8.160 8.970 -0.810 17717 4414 1 5 . 1 1 82 82 ARG N N 82 119.190 119.190 119.981 -0.791 17717 4415 1 5 . 1 1 82 82 ARG HA H 82 4.480 4.480 3.960 0.520 17717 4416 1 5 . 1 1 82 82 ARG CA C 82 58.400 58.400 59.492 -1.092 17717 4417 1 5 . 1 1 82 82 ARG CB C 82 29.800 29.800 30.105 -0.305 17717 4418 1 5 . 1 1 82 82 ARG H H 82 7.100 7.100 8.454 -1.354 17717 4419 1 5 . 1 1 83 83 GLN N N 83 117.960 117.960 118.221 -0.261 17717 4420 1 5 . 1 1 83 83 GLN HA H 83 4.222 4.222 3.958 0.264 17717 4421 1 5 . 1 1 83 83 GLN CA C 83 55.600 55.600 58.484 -2.884 17717 4422 1 5 . 1 1 83 83 GLN CB C 83 28.550 28.550 28.217 0.333 17717 4423 1 5 . 1 1 83 83 GLN H H 83 8.050 8.050 7.727 0.323 17717 4424 1 5 . 1 1 84 84 GLU N N 84 119.022 119.022 118.416 0.606 17717 4425 1 5 . 1 1 84 84 GLU HA H 84 4.100 4.100 3.928 0.172 17717 4426 1 5 . 1 1 84 84 GLU CA C 84 57.300 57.300 58.175 -0.875 17717 4427 1 5 . 1 1 84 84 GLU CB C 84 28.600 28.600 29.087 -0.487 17717 4428 1 5 . 1 1 84 84 GLU H H 84 7.920 7.920 8.353 -0.433 17717 4429 1 5 . 1 1 85 85 MET N N 85 117.565 117.565 120.689 -3.124 17717 4430 1 5 . 1 1 85 85 MET HA H 85 4.265 4.265 3.966 0.299 17717 4431 1 5 . 1 1 85 85 MET CA C 85 55.020 55.020 59.153 -4.133 17717 4432 1 5 . 1 1 85 85 MET CB C 85 33.000 33.000 32.175 0.825 17717 4433 1 5 . 1 1 85 85 MET H H 85 8.230 8.230 7.884 0.346 17717 4434 1 5 . 1 1 86 86 ASN N N 86 119.022 119.022 116.574 2.448 17717 4435 1 5 . 1 1 86 86 ASN HA H 86 4.570 4.570 4.516 0.054 17717 4436 1 5 . 1 1 86 86 ASN CA C 86 56.000 56.000 55.679 0.321 17717 4437 1 5 . 1 1 86 86 ASN CB C 86 37.700 37.700 38.498 -0.798 17717 4438 1 5 . 1 1 86 86 ASN H H 86 8.600 8.600 7.712 0.888 17717 4439 1 5 . 1 1 87 87 LYS N N 87 120.273 120.273 120.502 -0.229 17717 4440 1 5 . 1 1 87 87 LYS HA H 87 4.100 4.100 3.904 0.196 17717 4441 1 5 . 1 1 87 87 LYS CA C 87 59.000 59.000 59.905 -0.905 17717 4442 1 5 . 1 1 87 87 LYS CB C 87 30.900 30.900 32.148 -1.248 17717 4443 1 5 . 1 1 87 87 LYS H H 87 7.220 7.220 7.595 -0.375 17717 4444 1 5 . 1 1 88 88 ASP N N 88 121.147 121.147 119.214 1.933 17717 4445 1 5 . 1 1 88 88 ASP HA H 88 4.480 4.480 4.383 0.097 17717 4446 1 5 . 1 1 88 88 ASP CA C 88 56.840 56.840 57.197 -0.357 17717 4447 1 5 . 1 1 88 88 ASP CB C 88 39.450 39.450 40.568 -1.118 17717 4448 1 5 . 1 1 88 88 ASP H H 88 7.390 7.390 8.138 -0.748 17717 4449 1 5 . 1 1 89 89 LEU N N 89 122.741 122.741 120.345 2.396 17717 4450 1 5 . 1 1 89 89 LEU HA H 89 4.470 4.470 3.920 0.550 17717 4451 1 5 . 1 1 89 89 LEU CA C 89 57.000 57.000 58.623 -1.623 17717 4452 1 5 . 1 1 89 89 LEU CB C 89 41.000 41.000 42.208 -1.208 17717 4453 1 5 . 1 1 89 89 LEU H H 89 8.910 8.910 7.427 1.483 17717 4454 1 5 . 1 1 90 90 GLU N N 90 119.553 119.553 117.542 2.011 17717 4455 1 5 . 1 1 90 90 GLU HA H 90 4.050 4.050 4.130 -0.080 17717 4456 1 5 . 1 1 90 90 GLU CA C 90 59.100 59.100 58.552 0.548 17717 4457 1 5 . 1 1 90 90 GLU CB C 90 28.556 28.556 29.728 -1.172 17717 4458 1 5 . 1 1 90 90 GLU H H 90 8.260 8.260 7.747 0.513 17717 4459 1 5 . 1 1 91 91 GLU N N 91 119.190 119.190 120.133 -0.943 17717 4460 1 5 . 1 1 91 91 GLU HA H 91 4.136 4.136 4.138 -0.002 17717 4461 1 5 . 1 1 91 91 GLU CA C 91 58.600 58.600 59.264 -0.664 17717 4462 1 5 . 1 1 91 91 GLU CB C 91 28.600 28.600 29.988 -1.387 17717 4463 1 5 . 1 1 91 91 GLU H H 91 7.470 7.470 8.116 -0.646 17717 4464 1 5 . 1 1 92 92 VAL N N 92 122.230 122.230 115.573 6.657 17717 4465 1 5 . 1 1 92 92 VAL HA H 92 3.837 3.837 3.901 -0.064 17717 4466 1 5 . 1 1 92 92 VAL CA C 92 65.900 65.900 66.251 -0.351 17717 4467 1 5 . 1 1 92 92 VAL CB C 92 29.200 29.200 32.043 -2.843 17717 4468 1 5 . 1 1 92 92 VAL H H 92 8.420 8.420 8.266 0.154 17717 4469 1 5 . 1 1 93 93 LYS N N 93 121.300 121.300 118.808 2.492 17717 4470 1 5 . 1 1 93 93 LYS HA H 93 3.836 3.836 4.165 -0.329 17717 4471 1 5 . 1 1 93 93 LYS CA C 93 59.900 59.900 58.743 1.157 17717 4472 1 5 . 1 1 93 93 LYS CB C 93 31.277 31.277 31.891 -0.614 17717 4473 1 5 . 1 1 93 93 LYS H H 93 9.000 9.000 7.691 1.309 17717 4474 1 5 . 1 1 94 94 GLN N N 94 116.900 116.900 117.311 -0.411 17717 4475 1 5 . 1 1 94 94 GLN HA H 94 4.094 4.094 4.332 -0.238 17717 4476 1 5 . 1 1 94 94 GLN CA C 94 57.731 57.731 57.988 -0.257 17717 4477 1 5 . 1 1 94 94 GLN CB C 94 27.700 27.700 28.400 -0.700 17717 4478 1 5 . 1 1 94 94 GLN H H 94 7.320 7.320 7.758 -0.438 17717 4479 1 5 . 1 1 95 95 LYS N N 95 119.190 119.190 119.373 -0.183 17717 4480 1 5 . 1 1 95 95 LYS HA H 95 4.137 4.137 4.277 -0.140 17717 4481 1 5 . 1 1 95 95 LYS CA C 95 57.700 57.700 57.972 -0.272 17717 4482 1 5 . 1 1 95 95 LYS CB C 95 31.800 31.800 33.252 -1.452 17717 4483 1 5 . 1 1 95 95 LYS H H 95 7.590 7.590 7.668 -0.078 17717 4484 1 5 . 1 1 96 96 VAL N N 96 111.000 111.000 116.138 -5.138 17717 4485 1 5 . 1 1 96 96 VAL HA H 96 4.138 4.138 3.579 0.559 17717 4486 1 5 . 1 1 96 96 VAL CA C 96 61.600 61.600 65.891 -4.291 17717 4487 1 5 . 1 1 96 96 VAL CB C 96 31.500 31.500 31.506 -0.006 17717 4488 1 5 . 1 1 96 96 VAL H H 96 7.960 7.960 7.568 0.392 17717 4489 1 5 . 1 1 97 97 GLN N N 97 122.210 122.210 119.796 2.414 17717 4490 1 5 . 1 1 97 97 GLN HA H 97 4.030 4.030 4.216 -0.186 17717 4491 1 5 . 1 1 97 97 GLN CA C 97 59.226 59.226 58.494 0.732 17717 4492 1 5 . 1 1 97 97 GLN CB C 97 24.578 24.578 26.331 -1.753 17717 4493 1 5 . 1 1 97 97 GLN H H 97 7.380 7.380 8.243 -0.863 17717 4494 1 5 . 1 1 98 98 PRO CA C 98 65.400 65.400 63.132 2.268 17717 4495 1 5 . 1 1 98 98 PRO CB C 98 30.336 30.336 31.869 -1.533 17717 4496 1 5 . 1 1 99 99 TYR N N 99 116.900 116.900 115.957 0.943 17717 4497 1 5 . 1 1 99 99 TYR HA H 99 4.480 4.480 4.141 0.339 17717 4498 1 5 . 1 1 99 99 TYR CA C 99 58.446 58.446 58.734 -0.288 17717 4499 1 5 . 1 1 99 99 TYR CB C 99 36.344 36.344 35.625 0.719 17717 4500 1 5 . 1 1 99 99 TYR H H 99 7.100 7.100 7.497 -0.397 17717 4501 1 5 . 1 1 100 100 LEU N N 100 123.270 123.270 122.973 0.297 17717 4502 1 5 . 1 1 100 100 LEU HA H 100 3.964 3.964 4.583 -0.619 17717 4503 1 5 . 1 1 100 100 LEU CA C 100 57.300 57.300 53.442 3.858 17717 4504 1 5 . 1 1 100 100 LEU CB C 100 40.950 40.950 43.967 -3.017 17717 4505 1 5 . 1 1 100 100 LEU H H 100 7.500 7.500 7.588 -0.088 17717 4506 1 5 . 1 1 101 101 ASP N N 101 119.500 119.500 120.195 -0.695 17717 4507 1 5 . 1 1 101 101 ASP HA H 101 3.810 3.810 4.744 -0.934 17717 4508 1 5 . 1 1 101 101 ASP CA C 101 58.200 58.200 53.987 4.213 17717 4509 1 5 . 1 1 101 101 ASP CB C 101 39.100 39.100 40.468 -1.368 17717 4510 1 5 . 1 1 101 101 ASP H H 101 8.450 8.450 8.440 0.010 17717 4511 1 5 . 1 1 102 102 GLU N N 102 121.221 121.221 120.261 0.960 17717 4512 1 5 . 1 1 102 102 GLU HA H 102 4.222 4.222 3.955 0.267 17717 4513 1 5 . 1 1 102 102 GLU CA C 102 59.200 59.200 59.426 -0.226 17717 4514 1 5 . 1 1 102 102 GLU CB C 102 31.100 31.100 29.228 1.872 17717 4515 1 5 . 1 1 102 102 GLU H H 102 8.190 8.190 8.405 -0.215 17717 4516 1 5 . 1 1 103 103 PHE N N 103 124.065 124.065 117.313 6.752 17717 4517 1 5 . 1 1 103 103 PHE HA H 103 4.520 4.520 4.138 0.382 17717 4518 1 5 . 1 1 103 103 PHE CA C 103 57.183 57.183 61.111 -3.929 17717 4519 1 5 . 1 1 103 103 PHE CB C 103 38.608 38.608 37.584 1.024 17717 4520 1 5 . 1 1 103 103 PHE H H 103 8.170 8.170 7.549 0.621 17717 4521 1 5 . 1 1 104 104 GLN N N 104 123.272 123.272 117.904 5.368 17717 4522 1 5 . 1 1 104 104 GLN HA H 104 4.222 4.222 4.015 0.207 17717 4523 1 5 . 1 1 104 104 GLN CA C 104 55.460 55.460 58.306 -2.846 17717 4524 1 5 . 1 1 104 104 GLN CB C 104 29.200 29.200 28.442 0.758 17717 4525 1 5 . 1 1 104 104 GLN H H 104 8.030 8.030 8.529 -0.499 17717 4526 1 5 . 1 1 105 105 LYS N N 105 119.600 119.600 121.247 -1.647 17717 4527 1 5 . 1 1 105 105 LYS HA H 105 4.136 4.136 4.107 0.029 17717 4528 1 5 . 1 1 105 105 LYS CA C 105 57.830 57.830 58.965 -1.135 17717 4529 1 5 . 1 1 105 105 LYS CB C 105 32.220 32.220 32.094 0.126 17717 4530 1 5 . 1 1 105 105 LYS H H 105 7.800 7.800 8.452 -0.652 17717 4531 1 5 . 1 1 106 106 LYS N N 106 117.960 117.960 121.260 -3.300 17717 4532 1 5 . 1 1 106 106 LYS HA H 106 4.093 4.093 4.070 0.023 17717 4533 1 5 . 1 1 106 106 LYS CA C 106 57.860 57.860 59.527 -1.667 17717 4534 1 5 . 1 1 106 106 LYS CB C 106 32.080 32.080 31.858 0.223 17717 4535 1 5 . 1 1 106 106 LYS H H 106 7.740 7.740 7.983 -0.243 17717 4536 1 5 . 1 1 107 107 TRP N N 107 119.320 119.320 118.919 0.401 17717 4537 1 5 . 1 1 107 107 TRP HA H 107 4.310 4.310 4.261 0.049 17717 4538 1 5 . 1 1 107 107 TRP CA C 107 54.900 54.900 60.411 -5.511 17717 4539 1 5 . 1 1 107 107 TRP CB C 107 28.400 28.400 29.317 -0.917 17717 4540 1 5 . 1 1 107 107 TRP H H 107 8.390 8.390 7.744 0.646 17717 4541 1 5 . 1 1 108 108 LYS N N 108 120.390 120.390 119.528 0.862 17717 4542 1 5 . 1 1 108 108 LYS HA H 108 4.350 4.350 3.870 0.480 17717 4543 1 5 . 1 1 108 108 LYS CA C 108 58.170 58.170 58.386 -0.216 17717 4544 1 5 . 1 1 108 108 LYS CB C 108 30.250 30.250 32.106 -1.856 17717 4545 1 5 . 1 1 108 108 LYS H H 108 7.420 7.420 7.928 -0.508 17717 4546 1 5 . 1 1 109 109 GLU N N 109 120.220 120.220 119.654 0.566 17717 4547 1 5 . 1 1 109 109 GLU HA H 109 3.922 3.922 4.056 -0.134 17717 4548 1 5 . 1 1 109 109 GLU CA C 109 58.230 58.230 58.983 -0.753 17717 4549 1 5 . 1 1 109 109 GLU CB C 109 29.230 29.230 29.625 -0.395 17717 4550 1 5 . 1 1 109 109 GLU H H 109 7.800 7.800 7.511 0.289 17717 4551 1 5 . 1 1 110 110 ASP N N 110 121.678 121.678 120.120 1.558 17717 4552 1 5 . 1 1 110 110 ASP HA H 110 4.096 4.096 4.230 -0.134 17717 4553 1 5 . 1 1 110 110 ASP CA C 110 57.514 57.514 57.257 0.257 17717 4554 1 5 . 1 1 110 110 ASP CB C 110 40.005 40.005 40.556 -0.550 17717 4555 1 5 . 1 1 110 110 ASP H H 110 8.220 8.220 8.460 -0.240 17717 4556 1 5 . 1 1 111 111 VAL N N 111 123.537 123.537 117.922 5.615 17717 4557 1 5 . 1 1 111 111 VAL CA C 111 66.380 66.380 66.168 0.212 17717 4558 1 5 . 1 1 111 111 VAL CB C 111 30.800 30.800 30.986 -0.186 17717 4559 1 5 . 1 1 111 111 VAL H H 111 9.170 9.170 7.236 1.934 17717 4560 1 5 . 1 1 112 112 GLU N N 112 120.200 120.200 120.816 -0.616 17717 4561 1 5 . 1 1 112 112 GLU HA H 112 4.179 4.179 3.984 0.195 17717 4562 1 5 . 1 1 112 112 GLU CA C 112 58.431 58.431 59.455 -1.024 17717 4563 1 5 . 1 1 112 112 GLU CB C 112 27.878 27.878 29.529 -1.651 17717 4564 1 5 . 1 1 112 112 GLU H H 112 7.540 7.540 7.508 0.032 17717 4565 1 5 . 1 1 113 113 LEU N N 113 120.815 120.815 118.400 2.415 17717 4566 1 5 . 1 1 113 113 LEU HA H 113 4.439 4.439 3.815 0.624 17717 4567 1 5 . 1 1 113 113 LEU CA C 113 53.800 53.800 57.699 -3.899 17717 4568 1 5 . 1 1 113 113 LEU CB C 113 41.060 41.060 40.703 0.357 17717 4569 1 5 . 1 1 113 113 LEU H H 113 7.900 7.900 7.614 0.286 17717 4570 1 5 . 1 1 114 114 TYR N N 114 120.920 120.920 120.420 0.500 17717 4571 1 5 . 1 1 114 114 TYR HA H 114 4.520 4.520 3.992 0.528 17717 4572 1 5 . 1 1 114 114 TYR CA C 114 56.942 56.942 61.871 -4.929 17717 4573 1 5 . 1 1 114 114 TYR CB C 114 37.834 37.834 38.526 -0.692 17717 4574 1 5 . 1 1 114 114 TYR H H 114 8.370 8.370 8.232 0.138 17717 4575 1 5 . 1 1 115 115 ARG N N 115 118.260 118.260 117.413 0.847 17717 4576 1 5 . 1 1 115 115 ARG HA H 115 4.820 4.820 3.835 0.985 17717 4577 1 5 . 1 1 115 115 ARG CA C 115 55.700 55.700 59.652 -3.952 17717 4578 1 5 . 1 1 115 115 ARG CB C 115 30.600 30.600 29.640 0.960 17717 4579 1 5 . 1 1 115 115 ARG H H 115 7.630 7.630 7.889 -0.259 17717 4580 1 5 . 1 1 116 116 GLN N N 116 116.670 116.670 117.373 -0.703 17717 4581 1 5 . 1 1 116 116 GLN HA H 116 4.480 4.480 4.051 0.429 17717 4582 1 5 . 1 1 116 116 GLN CA C 116 57.100 57.100 58.035 -0.935 17717 4583 1 5 . 1 1 116 116 GLN CB C 116 28.060 28.060 28.242 -0.182 17717 4584 1 5 . 1 1 116 116 GLN H H 116 7.980 7.980 7.261 0.719 17717 4585 1 5 . 1 1 117 117 LYS N N 117 119.200 119.200 120.007 -0.807 17717 4586 1 5 . 1 1 117 117 LYS HA H 117 4.211 4.211 3.788 0.423 17717 4587 1 5 . 1 1 117 117 LYS CA C 117 56.700 56.700 58.355 -1.655 17717 4588 1 5 . 1 1 117 117 LYS CB C 117 32.100 32.100 31.485 0.614 17717 4589 1 5 . 1 1 117 117 LYS H H 117 7.780 7.780 7.429 0.351 17717 4590 1 5 . 1 1 118 118 ALA N N 118 122.740 122.740 119.862 2.878 17717 4591 1 5 . 1 1 118 118 ALA HA H 118 4.179 4.179 3.737 0.442 17717 4592 1 5 . 1 1 118 118 ALA CA C 118 52.100 52.100 53.319 -1.219 17717 4593 1 5 . 1 1 118 118 ALA CB C 118 18.100 18.100 18.407 -0.307 17717 4594 1 5 . 1 1 118 118 ALA H H 118 8.100 8.100 7.672 0.428 17717 4595 1 5 . 1 1 119 119 SER N N 119 115.840 115.840 114.780 1.060 17717 4596 1 5 . 1 1 119 119 SER HA H 119 4.210 4.210 4.804 -0.594 17717 4597 1 5 . 1 1 119 119 SER CA C 119 55.900 55.900 54.485 1.415 17717 4598 1 5 . 1 1 119 119 SER CB C 119 62.900 62.900 63.797 -0.897 17717 4599 1 5 . 1 1 119 119 SER H H 119 7.800 7.800 7.404 0.396 17717 4600 1 5 . 1 1 120 120 PRO CA C 120 63.074 63.074 63.094 -0.020 17717 4601 1 5 . 1 1 120 120 PRO CB C 120 31.408 31.408 32.106 -0.698 17717 4602 1 5 . 1 1 121 121 GLN N N 121 120.800 120.800 126.953 -6.153 17717 4603 1 5 . 1 1 121 121 GLN HA H 121 4.350 4.350 4.027 0.323 17717 4604 1 5 . 1 1 121 121 GLN CA C 121 55.800 55.800 58.889 -3.090 17717 4605 1 5 . 1 1 121 121 GLN CB C 121 28.300 28.300 27.618 0.682 17717 4606 1 5 . 1 1 121 121 GLN H H 121 8.450 8.450 8.764 -0.314 17717 4607 1 5 . 1 1 122 122 GLY N N 122 109.991 109.991 107.563 2.428 17717 4608 1 5 . 1 1 122 122 GLY CA C 122 44.500 44.500 46.639 -2.139 17717 4609 1 5 . 1 1 122 122 GLY H H 122 8.380 8.380 8.873 -0.493 17717 4610 1 5 . 1 1 123 123 ALA N N 123 124.866 124.866 125.135 -0.269 17717 4611 1 5 . 1 1 123 123 ALA HA H 123 4.280 4.280 4.267 0.013 17717 4612 1 5 . 1 1 123 123 ALA CA C 123 52.440 52.440 55.018 -2.578 17717 4613 1 5 . 1 1 123 123 ALA CB C 123 18.530 18.530 18.623 -0.093 17717 4614 1 5 . 1 1 123 123 ALA H H 123 8.200 8.200 8.038 0.162 17717 4615 1 5 . 1 1 124 124 GLU N N 124 120.000 120.000 118.052 1.948 17717 4616 1 5 . 1 1 124 124 GLU HA H 124 4.265 4.265 4.141 0.124 17717 4617 1 5 . 1 1 124 124 GLU CA C 124 56.533 56.533 58.300 -1.767 17717 4618 1 5 . 1 1 124 124 GLU CB C 124 29.150 29.150 29.320 -0.170 17717 4619 1 5 . 1 1 124 124 GLU H H 124 8.510 8.510 7.729 0.781 17717 4620 1 5 . 1 1 125 125 LEU N N 125 122.740 122.740 123.099 -0.359 17717 4621 1 5 . 1 1 125 125 LEU HA H 125 4.222 4.222 3.987 0.235 17717 4622 1 5 . 1 1 125 125 LEU CA C 125 55.600 55.600 58.240 -2.640 17717 4623 1 5 . 1 1 125 125 LEU CB C 125 41.500 41.500 41.837 -0.337 17717 4624 1 5 . 1 1 125 125 LEU H H 125 8.110 8.110 8.577 -0.467 17717 4625 1 5 . 1 1 126 126 GLN N N 126 120.616 120.616 116.736 3.880 17717 4626 1 5 . 1 1 126 126 GLN HA H 126 4.140 4.140 3.966 0.174 17717 4627 1 5 . 1 1 126 126 GLN CA C 126 56.600 56.600 58.696 -2.096 17717 4628 1 5 . 1 1 126 126 GLN CB C 126 28.200 28.200 28.620 -0.420 17717 4629 1 5 . 1 1 126 126 GLN H H 126 8.190 8.190 8.195 -0.005 17717 4630 1 5 . 1 1 127 127 GLU N N 127 121.221 121.221 118.617 2.604 17717 4631 1 5 . 1 1 127 127 GLU HA H 127 4.480 4.480 4.162 0.318 17717 4632 1 5 . 1 1 127 127 GLU CA C 127 57.800 57.800 58.979 -1.179 17717 4633 1 5 . 1 1 127 127 GLU CB C 127 28.000 28.000 29.960 -1.960 17717 4634 1 5 . 1 1 127 127 GLU H H 127 8.130 8.130 7.657 0.473 17717 4635 1 5 . 1 1 128 128 SER N N 128 117.960 117.960 116.291 1.669 17717 4636 1 5 . 1 1 128 128 SER HA H 128 4.140 4.140 4.213 -0.073 17717 4637 1 5 . 1 1 128 128 SER CA C 128 57.800 57.800 61.824 -4.024 17717 4638 1 5 . 1 1 128 128 SER CB C 128 63.860 63.860 63.332 0.528 17717 4639 1 5 . 1 1 128 128 SER H H 128 8.580 8.580 8.481 0.099 17717 4640 1 5 . 1 1 129 129 ALA N N 129 132.300 132.300 121.999 10.301 17717 4641 1 5 . 1 1 129 129 ALA CA C 129 53.505 53.505 53.105 0.400 17717 4642 1 5 . 1 1 129 129 ALA CB C 129 18.600 18.600 18.799 -0.199 17717 4643 1 5 . 1 1 129 129 ALA H H 129 7.980 7.980 7.889 0.091 17717 4644 1 5 . 1 1 130 130 ARG N N 130 119.553 119.553 117.066 2.487 17717 4645 1 5 . 1 1 130 130 ARG HA H 130 4.274 4.274 4.536 -0.262 17717 4646 1 5 . 1 1 130 130 ARG CA C 130 55.300 55.300 56.443 -1.143 17717 4647 1 5 . 1 1 130 130 ARG CB C 130 31.600 31.600 31.649 -0.049 17717 4648 1 5 . 1 1 130 130 ARG H H 130 8.150 8.150 7.668 0.482 17717 4649 1 5 . 1 1 131 131 GLN N N 131 117.960 117.960 117.094 0.866 17717 4650 1 5 . 1 1 131 131 GLN HA H 131 4.350 4.350 4.390 -0.040 17717 4651 1 5 . 1 1 131 131 GLN CA C 131 56.066 56.066 55.804 0.262 17717 4652 1 5 . 1 1 131 131 GLN CB C 131 29.000 29.000 30.895 -1.895 17717 4653 1 5 . 1 1 131 131 GLN H H 131 7.880 7.880 7.702 0.178 17717 4654 1 5 . 1 1 132 132 LYS N N 132 121.357 121.357 118.010 3.347 17717 4655 1 5 . 1 1 132 132 LYS HA H 132 4.136 4.136 3.993 0.143 17717 4656 1 5 . 1 1 132 132 LYS CA C 132 56.800 56.800 57.707 -0.907 17717 4657 1 5 . 1 1 132 132 LYS CB C 132 31.100 31.100 31.773 -0.673 17717 4658 1 5 . 1 1 132 132 LYS H H 132 7.892 7.892 8.516 -0.624 17717 4659 1 5 . 1 1 133 133 LEU N N 133 120.620 120.620 118.510 2.110 17717 4660 1 5 . 1 1 133 133 LEU HA H 133 4.480 4.480 4.361 0.119 17717 4661 1 5 . 1 1 133 133 LEU CA C 133 53.900 53.900 54.812 -0.912 17717 4662 1 5 . 1 1 133 133 LEU CB C 133 41.230 41.230 42.656 -1.426 17717 4663 1 5 . 1 1 133 133 LEU H H 133 8.320 8.320 7.946 0.374 17717 4664 1 5 . 1 1 134 134 GLN N N 134 121.147 121.147 117.547 3.600 17717 4665 1 5 . 1 1 134 134 GLN HA H 134 4.222 4.222 4.054 0.168 17717 4666 1 5 . 1 1 134 134 GLN CA C 134 56.146 56.146 56.606 -0.460 17717 4667 1 5 . 1 1 134 134 GLN CB C 134 31.813 31.813 27.071 4.742 17717 4668 1 5 . 1 1 134 134 GLN H H 134 7.870 7.870 8.015 -0.145 17717 4669 1 5 . 1 1 135 135 GLU N N 135 121.678 121.678 117.276 4.402 17717 4670 1 5 . 1 1 135 135 GLU HA H 135 4.136 4.136 3.975 0.161 17717 4671 1 5 . 1 1 135 135 GLU CA C 135 55.904 55.904 57.511 -1.607 17717 4672 1 5 . 1 1 135 135 GLU CB C 135 28.953 28.953 29.859 -0.906 17717 4673 1 5 . 1 1 135 135 GLU H H 135 7.892 7.892 8.511 -0.619 17717 4674 1 5 . 1 1 136 136 LEU N N 136 121.357 121.357 125.055 -3.698 17717 4675 1 5 . 1 1 136 136 LEU HA H 136 4.351 4.351 4.613 -0.262 17717 4676 1 5 . 1 1 136 136 LEU CA C 136 54.765 54.765 54.519 0.246 17717 4677 1 5 . 1 1 136 136 LEU CB C 136 41.823 41.823 44.416 -2.592 17717 4678 1 5 . 1 1 136 136 LEU H H 136 7.962 7.962 8.229 -0.267 17717 4679 1 5 . 1 1 137 137 GLN N N 137 124.866 124.866 120.384 4.482 17717 4680 1 5 . 1 1 137 137 GLN HA H 137 4.222 4.222 4.560 -0.338 17717 4681 1 5 . 1 1 137 137 GLN CA C 137 56.300 56.300 55.674 0.626 17717 4682 1 5 . 1 1 137 137 GLN CB C 137 28.000 28.000 31.433 -3.433 17717 4683 1 5 . 1 1 137 137 GLN H H 137 7.938 7.938 8.620 -0.682 17717 4684 1 5 . 1 1 138 138 GLY N N 138 111.054 111.054 112.364 -1.310 17717 4685 1 5 . 1 1 138 138 GLY CA C 138 44.800 44.800 45.332 -0.532 17717 4686 1 5 . 1 1 138 138 GLY H H 138 8.410 8.410 8.428 -0.018 17717 4687 1 5 . 1 1 139 139 ARG N N 139 116.366 116.366 123.342 -6.976 17717 4688 1 5 . 1 1 139 139 ARG HA H 139 4.230 4.230 4.642 -0.412 17717 4689 1 5 . 1 1 139 139 ARG CA C 139 56.300 56.300 55.776 0.524 17717 4690 1 5 . 1 1 139 139 ARG CB C 139 28.700 28.700 31.579 -2.879 17717 4691 1 5 . 1 1 139 139 ARG H H 139 8.080 8.080 8.211 -0.131 17717 4692 1 5 . 1 1 140 140 LEU N N 140 126.460 126.460 116.830 9.630 17717 4693 1 5 . 1 1 140 140 LEU HA H 140 4.220 4.220 3.854 0.366 17717 4694 1 5 . 1 1 140 140 LEU CA C 140 56.500 56.500 56.828 -0.328 17717 4695 1 5 . 1 1 140 140 LEU CB C 140 41.496 41.496 40.226 1.270 17717 4696 1 5 . 1 1 140 140 LEU H H 140 7.740 7.740 8.473 -0.733 17717 4697 1 5 . 1 1 141 141 SER N N 141 119.190 119.190 116.376 2.814 17717 4698 1 5 . 1 1 141 141 SER HA H 141 4.390 4.390 4.394 -0.004 17717 4699 1 5 . 1 1 141 141 SER CA C 141 56.384 56.384 58.431 -2.047 17717 4700 1 5 . 1 1 141 141 SER CB C 141 62.996 62.996 63.909 -0.913 17717 4701 1 5 . 1 1 141 141 SER H H 141 8.430 8.430 7.939 0.491 17717 4702 1 5 . 1 1 142 142 PRO CA C 142 64.840 64.840 64.534 0.306 17717 4703 1 5 . 1 1 142 142 PRO CB C 142 31.345 31.345 31.682 -0.337 17717 4704 1 5 . 1 1 143 143 VAL N N 143 116.900 116.900 117.198 -0.298 17717 4705 1 5 . 1 1 143 143 VAL HA H 143 4.100 4.100 3.935 0.165 17717 4706 1 5 . 1 1 143 143 VAL CA C 143 63.800 63.800 63.574 0.226 17717 4707 1 5 . 1 1 143 143 VAL CB C 143 31.400 31.400 30.358 1.042 17717 4708 1 5 . 1 1 143 143 VAL H H 143 7.780 7.780 7.637 0.143 17717 4709 1 5 . 1 1 144 144 ALA N N 144 125.700 125.700 122.111 3.589 17717 4710 1 5 . 1 1 144 144 ALA HA H 144 4.390 4.390 3.950 0.440 17717 4711 1 5 . 1 1 144 144 ALA CA C 144 54.200 54.200 54.985 -0.785 17717 4712 1 5 . 1 1 144 144 ALA CB C 144 18.361 18.361 18.435 -0.074 17717 4713 1 5 . 1 1 144 144 ALA H H 144 7.970 7.970 7.590 0.380 17717 4714 1 5 . 1 1 145 145 GLU N N 145 120.000 120.000 118.575 1.425 17717 4715 1 5 . 1 1 145 145 GLU HA H 145 3.920 3.920 3.958 -0.038 17717 4716 1 5 . 1 1 145 145 GLU CA C 145 59.400 59.400 59.576 -0.176 17717 4717 1 5 . 1 1 145 145 GLU CB C 145 28.400 28.400 28.703 -0.303 17717 4718 1 5 . 1 1 145 145 GLU H H 145 8.600 8.600 7.835 0.765 17717 4719 1 5 . 1 1 146 146 GLU N N 146 119.022 119.022 119.224 -0.202 17717 4720 1 5 . 1 1 146 146 GLU HA H 146 4.050 4.050 4.057 -0.007 17717 4721 1 5 . 1 1 146 146 GLU CA C 146 58.422 58.422 58.838 -0.416 17717 4722 1 5 . 1 1 146 146 GLU CB C 146 28.172 28.172 28.569 -0.397 17717 4723 1 5 . 1 1 146 146 GLU H H 146 8.070 8.070 8.142 -0.072 17717 4724 1 5 . 1 1 147 147 PHE N N 147 117.023 117.023 118.558 -1.535 17717 4725 1 5 . 1 1 147 147 PHE HA H 147 4.523 4.523 4.223 0.299 17717 4726 1 5 . 1 1 147 147 PHE CA C 147 58.592 58.592 61.819 -3.227 17717 4727 1 5 . 1 1 147 147 PHE CB C 147 40.344 40.344 38.771 1.573 17717 4728 1 5 . 1 1 147 147 PHE H H 147 8.161 8.161 7.972 0.189 17717 4729 1 5 . 1 1 148 148 ARG N N 148 120.085 120.085 120.790 -0.705 17717 4730 1 5 . 1 1 148 148 ARG HA H 148 4.136 4.136 4.142 -0.006 17717 4731 1 5 . 1 1 148 148 ARG CA C 148 57.700 57.700 58.937 -1.237 17717 4732 1 5 . 1 1 148 148 ARG CB C 148 30.400 30.400 29.938 0.462 17717 4733 1 5 . 1 1 148 148 ARG H H 148 8.325 8.325 8.107 0.218 17717 4734 1 5 . 1 1 149 149 ASP N N 149 118.530 118.530 119.347 -0.817 17717 4735 1 5 . 1 1 149 149 ASP HA H 149 4.310 4.310 4.513 -0.203 17717 4736 1 5 . 1 1 149 149 ASP CA C 149 54.600 54.600 56.804 -2.204 17717 4737 1 5 . 1 1 149 149 ASP CB C 149 41.000 41.000 40.716 0.284 17717 4738 1 5 . 1 1 149 149 ASP H H 149 8.270 8.270 8.391 -0.121 17717 4739 1 5 . 1 1 150 150 ARG N N 150 126.460 126.460 119.449 7.011 17717 4740 1 5 . 1 1 150 150 ARG HA H 150 4.180 4.180 4.079 0.101 17717 4741 1 5 . 1 1 150 150 ARG CA C 150 56.850 56.850 58.318 -1.468 17717 4742 1 5 . 1 1 150 150 ARG CB C 150 30.451 30.451 30.008 0.443 17717 4743 1 5 . 1 1 150 150 ARG H H 150 7.860 7.860 8.435 -0.575 17717 4744 1 5 . 1 1 152 152 ARG CA C 152 55.764 55.764 59.403 -3.639 17717 4745 1 5 . 1 1 152 152 ARG CB C 152 30.014 30.014 30.112 -0.098 17717 4746 1 5 . 1 1 153 153 THR N N 153 115.832 115.832 114.774 1.058 17717 4747 1 5 . 1 1 153 153 THR HA H 153 4.350 4.350 4.077 0.273 17717 4748 1 5 . 1 1 153 153 THR CA C 153 61.200 61.200 66.421 -5.221 17717 4749 1 5 . 1 1 153 153 THR CB C 153 69.400 69.400 68.454 0.946 17717 4750 1 5 . 1 1 153 153 THR H H 153 8.170 8.170 8.097 0.073 17717 4751 1 5 . 1 1 154 154 HIS N N 154 129.120 129.120 123.068 6.052 17717 4752 1 5 . 1 1 154 154 HIS HA H 154 4.650 4.650 4.191 0.459 17717 4753 1 5 . 1 1 154 154 HIS CA C 154 56.800 56.800 59.039 -2.239 17717 4754 1 5 . 1 1 154 154 HIS CB C 154 30.400 30.400 29.403 0.997 17717 4755 1 5 . 1 1 154 154 HIS H H 154 7.950 7.950 8.223 -0.273 17717 4756 1 5 . 1 1 155 155 VAL N N 155 120.620 120.620 117.586 3.034 17717 4757 1 5 . 1 1 155 155 VAL HA H 155 4.012 4.012 3.410 0.602 17717 4758 1 5 . 1 1 155 155 VAL CA C 155 62.300 62.300 65.932 -3.632 17717 4759 1 5 . 1 1 155 155 VAL CB C 155 31.600 31.600 30.360 1.240 17717 4760 1 5 . 1 1 155 155 VAL H H 155 7.910 7.910 7.300 0.610 17717 4761 1 5 . 1 1 156 156 ASP N N 156 121.147 121.147 121.111 0.036 17717 4762 1 5 . 1 1 156 156 ASP HA H 156 4.440 4.440 4.290 0.150 17717 4763 1 5 . 1 1 156 156 ASP CA C 156 57.384 57.384 58.048 -0.664 17717 4764 1 5 . 1 1 156 156 ASP CB C 156 40.140 40.140 40.832 -0.692 17717 4765 1 5 . 1 1 156 156 ASP H H 156 8.100 8.100 8.252 -0.152 17717 4766 1 5 . 1 1 157 157 SER N N 157 116.366 116.366 116.467 -0.101 17717 4767 1 5 . 1 1 157 157 SER HA H 157 4.220 4.220 4.184 0.036 17717 4768 1 5 . 1 1 157 157 SER CA C 157 61.500 61.500 61.762 -0.262 17717 4769 1 5 . 1 1 157 157 SER CB C 157 62.500 62.500 63.092 -0.592 17717 4770 1 5 . 1 1 157 157 SER H H 157 8.700 8.700 8.152 0.548 17717 4771 1 5 . 1 1 158 158 LEU N N 158 123.272 123.272 123.134 0.138 17717 4772 1 5 . 1 1 158 158 LEU HA H 158 4.520 4.520 4.273 0.247 17717 4773 1 5 . 1 1 158 158 LEU CA C 158 57.140 57.140 58.091 -0.951 17717 4774 1 5 . 1 1 158 158 LEU CB C 158 40.900 40.900 41.847 -0.947 17717 4775 1 5 . 1 1 158 158 LEU H H 158 7.790 7.790 7.840 -0.050 17717 4776 1 5 . 1 1 159 159 ARG N N 159 119.553 119.553 116.189 3.364 17717 4777 1 5 . 1 1 159 159 ARG HA H 159 4.530 4.530 4.124 0.406 17717 4778 1 5 . 1 1 159 159 ARG CA C 159 56.800 56.800 59.069 -2.269 17717 4779 1 5 . 1 1 159 159 ARG CB C 159 29.000 29.000 30.236 -1.236 17717 4780 1 5 . 1 1 159 159 ARG H H 159 8.650 8.650 7.943 0.707 17717 4781 1 5 . 1 1 160 160 THR N N 160 115.304 115.304 115.538 -0.234 17717 4782 1 5 . 1 1 160 160 THR HA H 160 3.880 3.880 4.051 -0.171 17717 4783 1 5 . 1 1 160 160 THR CA C 160 65.300 65.300 66.145 -0.845 17717 4784 1 5 . 1 1 160 160 THR CB C 160 68.900 68.900 68.453 0.447 17717 4785 1 5 . 1 1 160 160 THR H H 160 8.100 8.100 7.386 0.714 17717 4786 1 5 . 1 1 161 161 GLN N N 161 122.440 122.440 118.772 3.668 17717 4787 1 5 . 1 1 161 161 GLN HA H 161 4.220 4.220 4.317 -0.097 17717 4788 1 5 . 1 1 161 161 GLN CA C 161 56.900 56.900 58.011 -1.111 17717 4789 1 5 . 1 1 161 161 GLN CB C 161 26.160 26.160 28.858 -2.697 17717 4790 1 5 . 1 1 161 161 GLN H H 161 8.070 8.070 8.151 -0.081 17717 4791 1 5 . 1 1 162 162 LEU N N 162 115.398 115.398 121.397 -5.999 17717 4792 1 5 . 1 1 162 162 LEU HA H 162 4.220 4.220 4.466 -0.246 17717 4793 1 5 . 1 1 162 162 LEU CA C 162 56.500 56.500 55.857 0.643 17717 4794 1 5 . 1 1 162 162 LEU CB C 162 41.000 41.000 40.715 0.285 17717 4795 1 5 . 1 1 162 162 LEU H H 162 7.980 7.980 7.811 0.169 17717 4796 1 5 . 1 1 163 163 ALA N N 163 122.210 122.210 123.277 -1.067 17717 4797 1 5 . 1 1 163 163 ALA HA H 163 4.260 4.260 4.056 0.204 17717 4798 1 5 . 1 1 163 163 ALA CA C 163 56.560 56.560 57.149 -0.589 17717 4799 1 5 . 1 1 163 163 ALA CB C 163 15.000 15.000 16.047 -1.047 17717 4800 1 5 . 1 1 163 163 ALA H H 163 7.460 7.460 8.289 -0.829 17717 4801 1 5 . 1 1 164 164 PRO CA C 164 62.800 62.800 65.549 -2.749 17717 4802 1 5 . 1 1 164 164 PRO CB C 164 31.500 31.500 31.350 0.150 17717 4803 1 5 . 1 1 165 165 HIS N N 165 120.080 120.080 117.199 2.881 17717 4804 1 5 . 1 1 165 165 HIS HA H 165 4.390 4.390 4.218 0.172 17717 4805 1 5 . 1 1 165 165 HIS CA C 165 56.000 56.000 59.959 -3.959 17717 4806 1 5 . 1 1 165 165 HIS CB C 165 28.400 28.400 29.648 -1.248 17717 4807 1 5 . 1 1 165 165 HIS H H 165 8.060 8.060 7.794 0.266 17717 4808 1 5 . 1 1 166 166 SER N N 166 116.366 116.366 115.459 0.907 17717 4809 1 5 . 1 1 166 166 SER HA H 166 4.300 4.300 4.284 0.016 17717 4810 1 5 . 1 1 166 166 SER CA C 166 61.200 61.200 61.646 -0.446 17717 4811 1 5 . 1 1 166 166 SER CB C 166 63.000 63.000 63.368 -0.368 17717 4812 1 5 . 1 1 166 166 SER H H 166 8.040 8.040 8.466 -0.426 17717 4813 1 5 . 1 1 167 167 GLU N N 167 121.678 121.678 121.363 0.315 17717 4814 1 5 . 1 1 167 167 GLU HA H 167 3.922 3.922 4.048 -0.126 17717 4815 1 5 . 1 1 167 167 GLU CA C 167 62.800 62.800 59.080 3.720 17717 4816 1 5 . 1 1 167 167 GLU CB C 167 31.100 31.100 29.745 1.355 17717 4817 1 5 . 1 1 167 167 GLU H H 167 7.760 7.760 7.676 0.084 17717 4818 1 5 . 1 1 168 168 GLN N N 168 121.147 121.147 119.698 1.449 17717 4819 1 5 . 1 1 168 168 GLN HA H 168 4.320 4.320 4.172 0.148 17717 4820 1 5 . 1 1 168 168 GLN CA C 168 55.300 55.300 58.846 -3.546 17717 4821 1 5 . 1 1 168 168 GLN CB C 168 28.200 28.200 28.682 -0.482 17717 4822 1 5 . 1 1 168 168 GLN H H 168 8.450 8.450 8.640 -0.190 17717 4823 1 5 . 1 1 170 170 ARG CA C 170 58.370 58.370 59.244 -0.874 17717 4824 1 5 . 1 1 170 170 ARG CB C 170 28.900 28.900 30.142 -1.242 17717 4825 1 5 . 1 1 171 171 GLU N N 171 117.960 117.960 119.948 -1.988 17717 4826 1 5 . 1 1 171 171 GLU HA H 171 4.140 4.140 4.189 -0.049 17717 4827 1 5 . 1 1 171 171 GLU CA C 171 57.300 57.300 59.095 -1.795 17717 4828 1 5 . 1 1 171 171 GLU CB C 171 29.200 29.200 29.541 -0.341 17717 4829 1 5 . 1 1 171 171 GLU H H 171 7.730 7.730 7.782 -0.052 17717 4830 1 5 . 1 1 172 172 SER N N 172 116.366 116.366 116.428 -0.062 17717 4831 1 5 . 1 1 172 172 SER HA H 172 4.270 4.270 4.108 0.162 17717 4832 1 5 . 1 1 172 172 SER CA C 172 58.000 58.000 61.829 -3.829 17717 4833 1 5 . 1 1 172 172 SER CB C 172 63.000 63.000 63.089 -0.089 17717 4834 1 5 . 1 1 172 172 SER H H 172 8.320 8.320 8.592 -0.272 17717 4835 1 5 . 1 1 173 173 LEU N N 173 124.866 124.866 121.977 2.889 17717 4836 1 5 . 1 1 173 173 LEU HA H 173 4.352 4.352 4.069 0.283 17717 4837 1 5 . 1 1 173 173 LEU CA C 173 54.540 54.540 57.352 -2.812 17717 4838 1 5 . 1 1 173 173 LEU CB C 173 41.400 41.400 41.444 -0.044 17717 4839 1 5 . 1 1 173 173 LEU H H 173 8.260 8.260 7.677 0.583 17717 4840 1 5 . 1 1 174 174 ALA N N 174 126.460 126.460 121.548 4.912 17717 4841 1 5 . 1 1 174 174 ALA HA H 174 4.270 4.270 3.787 0.483 17717 4842 1 5 . 1 1 174 174 ALA CA C 174 55.400 55.400 54.785 0.615 17717 4843 1 5 . 1 1 174 174 ALA CB C 174 17.200 17.200 17.977 -0.777 17717 4844 1 5 . 1 1 174 174 ALA H H 174 8.210 8.210 7.416 0.794 17717 4845 1 5 . 1 1 175 175 GLN N N 175 117.430 117.430 118.290 -0.860 17717 4846 1 5 . 1 1 175 175 GLN HA H 175 4.060 4.060 3.989 0.071 17717 4847 1 5 . 1 1 175 175 GLN CA C 175 58.600 58.600 58.200 0.400 17717 4848 1 5 . 1 1 175 175 GLN CB C 175 27.400 27.400 28.659 -1.259 17717 4849 1 5 . 1 1 175 175 GLN H H 175 8.450 8.450 7.778 0.672 17717 4850 1 5 . 1 1 176 176 ARG N N 176 119.550 119.550 121.183 -1.633 17717 4851 1 5 . 1 1 176 176 ARG HA H 176 4.180 4.180 3.901 0.279 17717 4852 1 5 . 1 1 176 176 ARG CA C 176 56.900 56.900 59.740 -2.840 17717 4853 1 5 . 1 1 176 176 ARG CB C 176 29.300 29.300 30.182 -0.882 17717 4854 1 5 . 1 1 176 176 ARG H H 176 8.070 8.070 8.226 -0.156 17717 4855 1 5 . 1 1 177 177 LEU N N 177 115.840 115.840 116.340 -0.500 17717 4856 1 5 . 1 1 177 177 LEU HA H 177 4.180 4.180 3.878 0.302 17717 4857 1 5 . 1 1 177 177 LEU CA C 177 56.900 56.900 57.907 -1.008 17717 4858 1 5 . 1 1 177 177 LEU CB C 177 40.100 40.100 40.898 -0.798 17717 4859 1 5 . 1 1 177 177 LEU H H 177 8.330 8.330 7.466 0.864 17717 4860 1 5 . 1 1 178 178 ALA N N 178 121.220 121.220 121.406 -0.186 17717 4861 1 5 . 1 1 178 178 ALA HA H 178 3.880 3.880 3.921 -0.041 17717 4862 1 5 . 1 1 178 178 ALA CA C 178 54.600 54.600 54.727 -0.127 17717 4863 1 5 . 1 1 178 178 ALA CB C 178 16.900 16.900 17.970 -1.069 17717 4864 1 5 . 1 1 178 178 ALA H H 178 8.570 8.570 7.536 1.034 17717 4865 1 5 . 1 1 179 179 GLU N N 179 118.490 118.490 119.944 -1.454 17717 4866 1 5 . 1 1 179 179 GLU HA H 179 4.180 4.180 4.055 0.125 17717 4867 1 5 . 1 1 179 179 GLU CA C 179 56.600 56.600 59.282 -2.682 17717 4868 1 5 . 1 1 179 179 GLU CB C 179 29.000 29.000 29.643 -0.643 17717 4869 1 5 . 1 1 179 179 GLU H H 179 7.680 7.680 8.023 -0.343 17717 4870 1 5 . 1 1 180 180 LEU N N 180 117.730 117.730 117.963 -0.233 17717 4871 1 5 . 1 1 180 180 LEU HA H 180 4.265 4.265 4.111 0.154 17717 4872 1 5 . 1 1 180 180 LEU CA C 180 55.020 55.020 57.214 -2.194 17717 4873 1 5 . 1 1 180 180 LEU CB C 180 41.100 41.100 41.633 -0.533 17717 4874 1 5 . 1 1 180 180 LEU H H 180 7.680 7.680 7.457 0.223 17717 4875 1 5 . 1 1 181 181 LYS N N 181 117.400 117.400 119.250 -1.850 17717 4876 1 5 . 1 1 181 181 LYS HA H 181 4.480 4.480 3.950 0.530 17717 4877 1 5 . 1 1 181 181 LYS CA C 181 61.900 61.900 58.630 3.270 17717 4878 1 5 . 1 1 181 181 LYS CB C 181 31.800 31.800 32.709 -0.909 17717 4879 1 5 . 1 1 181 181 LYS H H 181 7.510 7.510 7.978 -0.468 17717 4880 1 5 . 1 1 182 182 SER N N 182 114.010 114.010 113.278 0.732 17717 4881 1 5 . 1 1 182 182 SER HA H 182 4.350 4.350 4.316 0.035 17717 4882 1 5 . 1 1 182 182 SER CA C 182 58.000 58.000 59.221 -1.221 17717 4883 1 5 . 1 1 182 182 SER CB C 182 63.300 63.300 63.833 -0.533 17717 4884 1 5 . 1 1 182 182 SER H H 182 7.920 7.920 7.806 0.114 17717 4885 1 5 . 1 1 183 183 ASN N N 183 123.040 123.040 119.040 4.000 17717 4886 1 5 . 1 1 183 183 ASN HA H 183 4.310 4.310 4.663 -0.353 17717 4887 1 5 . 1 1 183 183 ASN CA C 183 55.115 55.115 53.049 2.066 17717 4888 1 5 . 1 1 183 183 ASN CB C 183 37.838 37.838 38.432 -0.594 17717 4889 1 5 . 1 1 183 183 ASN H H 183 8.250 8.250 7.520 0.730 17717 4890 1 5 . 1 1 184 184 PRO CA C 184 63.180 63.180 64.738 -1.558 17717 4891 1 5 . 1 1 184 184 PRO CB C 184 31.400 31.400 32.344 -0.944 17717 4892 1 5 . 1 1 185 185 THR N N 185 114.240 114.240 110.718 3.522 17717 4893 1 5 . 1 1 185 185 THR HA H 185 4.270 4.270 4.313 -0.043 17717 4894 1 5 . 1 1 185 185 THR CA C 185 61.200 61.200 62.691 -1.491 17717 4895 1 5 . 1 1 185 185 THR CB C 185 69.100 69.100 69.507 -0.407 17717 4896 1 5 . 1 1 185 185 THR H H 185 8.150 8.150 8.113 0.037 17717 4897 1 5 . 1 1 186 186 LEU N N 186 123.270 123.270 120.948 2.322 17717 4898 1 5 . 1 1 186 186 LEU HA H 186 4.350 4.350 4.464 -0.114 17717 4899 1 5 . 1 1 186 186 LEU CA C 186 55.000 55.000 55.379 -0.379 17717 4900 1 5 . 1 1 186 186 LEU CB C 186 41.000 41.000 43.966 -2.966 17717 4901 1 5 . 1 1 186 186 LEU H H 186 8.430 8.430 8.105 0.325 17717 4902 1 5 . 1 1 187 187 ASN N N 187 119.020 119.020 121.308 -2.288 17717 4903 1 5 . 1 1 187 187 ASN HA H 187 4.530 4.530 4.956 -0.426 17717 4904 1 5 . 1 1 187 187 ASN CA C 187 53.400 53.400 52.833 0.568 17717 4905 1 5 . 1 1 187 187 ASN CB C 187 37.900 37.900 39.295 -1.395 17717 4906 1 5 . 1 1 187 187 ASN H H 187 8.370 8.370 8.594 -0.224 17717 4907 1 5 . 1 1 188 188 GLU N N 188 123.270 123.270 123.957 -0.687 17717 4908 1 5 . 1 1 188 188 GLU HA H 188 4.000 4.000 4.500 -0.500 17717 4909 1 5 . 1 1 188 188 GLU CA C 188 61.700 61.700 56.100 5.600 17717 4910 1 5 . 1 1 188 188 GLU CB C 188 32.100 32.100 29.382 2.718 17717 4911 1 5 . 1 1 188 188 GLU H H 188 7.870 7.870 8.704 -0.834 17717 4912 1 5 . 1 1 189 189 TYR N N 189 122.210 122.210 124.696 -2.486 17717 4913 1 5 . 1 1 189 189 TYR HA H 189 4.440 4.440 4.765 -0.325 17717 4914 1 5 . 1 1 189 189 TYR CA C 189 57.120 57.120 57.323 -0.203 17717 4915 1 5 . 1 1 189 189 TYR CB C 189 40.000 40.000 40.462 -0.462 17717 4916 1 5 . 1 1 189 189 TYR H H 189 8.590 8.590 8.286 0.304 17717 4917 1 5 . 1 1 190 190 HIS N N 190 124.866 124.866 129.057 -4.191 17717 4918 1 5 . 1 1 190 190 HIS HA H 190 4.780 4.780 4.643 0.137 17717 4919 1 5 . 1 1 190 190 HIS CA C 190 56.000 56.000 55.212 0.788 17717 4920 1 5 . 1 1 190 190 HIS CB C 190 29.400 29.400 28.972 0.428 17717 4921 1 5 . 1 1 190 190 HIS H H 190 8.420 8.420 9.092 -0.672 17717 4922 1 5 . 1 1 191 191 SER N N 191 117.429 117.429 120.078 -2.649 17717 4923 1 5 . 1 1 191 191 SER HA H 191 4.140 4.140 4.408 -0.268 17717 4924 1 5 . 1 1 191 191 SER CA C 191 58.140 58.140 59.403 -1.263 17717 4925 1 5 . 1 1 191 191 SER CB C 191 63.140 63.140 63.161 -0.021 17717 4926 1 5 . 1 1 191 191 SER H H 191 8.270 8.270 8.570 -0.300 17717 4927 1 5 . 1 1 192 192 SER N N 192 124.335 124.335 122.346 1.989 17717 4928 1 5 . 1 1 192 192 SER HA H 192 4.730 4.730 4.457 0.273 17717 4929 1 5 . 1 1 192 192 SER CA C 192 59.020 59.020 59.830 -0.810 17717 4930 1 5 . 1 1 192 192 SER CB C 192 63.000 63.000 63.828 -0.828 17717 4931 1 5 . 1 1 192 192 SER H H 192 8.010 8.010 8.329 -0.319 17717 4932 1 5 . 1 1 193 193 ALA N N 193 125.930 125.930 121.832 4.098 17717 4933 1 5 . 1 1 193 193 ALA HA H 193 4.310 4.310 4.421 -0.111 17717 4934 1 5 . 1 1 193 193 ALA CA C 193 52.300 52.300 52.809 -0.509 17717 4935 1 5 . 1 1 193 193 ALA CB C 193 18.000 18.000 18.586 -0.586 17717 4936 1 5 . 1 1 193 193 ALA H H 193 8.100 8.100 8.314 -0.214 17717 4937 1 5 . 1 1 194 194 LYS N N 194 126.460 126.460 120.954 5.506 17717 4938 1 5 . 1 1 194 194 LYS HA H 194 4.220 4.220 4.397 -0.177 17717 4939 1 5 . 1 1 194 194 LYS CA C 194 56.600 56.600 56.895 -0.295 17717 4940 1 5 . 1 1 194 194 LYS CB C 194 33.000 33.000 33.001 -0.001 17717 4941 1 5 . 1 1 194 194 LYS H H 194 7.860 7.860 8.425 -0.565 17717 4942 1 5 . 1 1 195 195 SER N N 195 117.429 117.429 115.254 2.175 17717 4943 1 5 . 1 1 195 195 SER HA H 195 4.430 4.430 4.854 -0.424 17717 4944 1 5 . 1 1 195 195 SER CA C 195 58.499 58.499 56.915 1.584 17717 4945 1 5 . 1 1 195 195 SER CB C 195 63.129 63.129 62.875 0.254 17717 4946 1 5 . 1 1 195 195 SER H H 195 8.240 8.240 8.645 -0.405 17717 4947 1 5 . 1 1 196 196 HIS N N 196 122.440 122.440 124.790 -2.350 17717 4948 1 5 . 1 1 196 196 HIS HA H 196 4.222 4.222 4.275 -0.053 17717 4949 1 5 . 1 1 196 196 HIS CA C 196 55.743 55.743 58.909 -3.166 17717 4950 1 5 . 1 1 196 196 HIS CB C 196 28.566 28.566 30.285 -1.718 17717 4951 1 5 . 1 1 196 196 HIS H H 196 8.044 8.044 8.783 -0.739 17717 4952 1 5 . 1 1 197 197 LEU N N 197 117.429 117.429 120.694 -3.265 17717 4953 1 5 . 1 1 197 197 LEU HA H 197 4.179 4.179 3.998 0.181 17717 4954 1 5 . 1 1 197 197 LEU CA C 197 54.540 54.540 59.307 -4.767 17717 4955 1 5 . 1 1 197 197 LEU CB C 197 40.040 40.040 41.788 -1.748 17717 4956 1 5 . 1 1 197 197 LEU H H 197 8.044 8.044 8.570 -0.526 17717 4957 1 5 . 1 1 198 198 LYS N N 198 117.430 117.430 118.661 -1.231 17717 4958 1 5 . 1 1 198 198 LYS HA H 198 4.140 4.140 4.188 -0.048 17717 4959 1 5 . 1 1 198 198 LYS CA C 198 57.600 57.600 59.173 -1.573 17717 4960 1 5 . 1 1 198 198 LYS CB C 198 32.000 32.000 32.009 -0.009 17717 4961 1 5 . 1 1 198 198 LYS H H 198 7.510 7.510 8.191 -0.681 17717 4962 1 5 . 1 1 199 199 SER N N 199 114.315 114.315 116.775 -2.460 17717 4963 1 5 . 1 1 199 199 SER HA H 199 4.310 4.310 3.884 0.426 17717 4964 1 5 . 1 1 199 199 SER CA C 199 62.000 62.000 61.855 0.145 17717 4965 1 5 . 1 1 199 199 SER CB C 199 63.600 63.600 62.818 0.782 17717 4966 1 5 . 1 1 199 199 SER H H 199 7.930 7.930 8.235 -0.305 17717 4967 1 5 . 1 1 200 200 LEU N N 200 124.335 124.335 122.525 1.810 17717 4968 1 5 . 1 1 200 200 LEU HA H 200 4.260 4.260 4.063 0.197 17717 4969 1 5 . 1 1 200 200 LEU CA C 200 55.200 55.200 57.371 -2.171 17717 4970 1 5 . 1 1 200 200 LEU CB C 200 41.200 41.200 41.752 -0.552 17717 4971 1 5 . 1 1 200 200 LEU H H 200 8.170 8.170 7.941 0.229 17717 4972 1 5 . 1 1 201 201 GLY N N 201 109.990 109.990 106.280 3.710 17717 4973 1 5 . 1 1 201 201 GLY CA C 201 44.700 44.700 46.834 -2.134 17717 4974 1 5 . 1 1 201 201 GLY H H 201 8.290 8.290 7.678 0.612 17717 4975 1 5 . 1 1 202 202 GLU N N 202 126.460 126.460 119.106 7.354 17717 4976 1 5 . 1 1 202 202 GLU HA H 202 4.220 4.220 4.268 -0.048 17717 4977 1 5 . 1 1 202 202 GLU CA C 202 56.600 56.600 58.181 -1.581 17717 4978 1 5 . 1 1 202 202 GLU CB C 202 32.800 32.800 30.086 2.714 17717 4979 1 5 . 1 1 202 202 GLU H H 202 7.750 7.750 7.859 -0.109 17717 4980 1 5 . 1 1 203 203 LYS CA C 203 55.775 55.775 54.604 1.171 17717 4981 1 5 . 1 1 203 203 LYS CB C 203 32.283 32.283 32.857 -0.574 17717 4982 1 5 . 1 1 204 204 ALA N N 204 125.390 125.390 120.992 4.398 17717 4983 1 5 . 1 1 204 204 ALA HA H 204 4.310 4.310 4.534 -0.224 17717 4984 1 5 . 1 1 204 204 ALA CA C 204 52.000 52.000 50.789 1.211 17717 4985 1 5 . 1 1 204 204 ALA CB C 204 18.400 18.400 20.910 -2.510 17717 4986 1 5 . 1 1 204 204 ALA H H 204 8.180 8.180 7.067 1.113 17717 4987 1 5 . 1 1 205 205 ARG N N 205 121.150 121.150 118.427 2.723 17717 4988 1 5 . 1 1 205 205 ARG HA H 205 4.270 4.270 4.308 -0.038 17717 4989 1 5 . 1 1 205 205 ARG CA C 205 56.384 56.384 53.928 2.456 17717 4990 1 5 . 1 1 205 205 ARG CB C 205 29.193 29.193 28.932 0.261 17717 4991 1 5 . 1 1 205 205 ARG H H 205 8.350 8.350 8.517 -0.167 17717 4992 1 5 . 1 1 206 206 PRO CA C 206 62.600 62.600 64.719 -2.119 17717 4993 1 5 . 1 1 206 206 PRO CB C 206 31.400 31.400 31.893 -0.493 17717 4994 1 5 . 1 1 207 207 ALA N N 207 125.400 125.400 118.895 6.505 17717 4995 1 5 . 1 1 207 207 ALA HA H 207 4.308 4.308 4.263 0.045 17717 4996 1 5 . 1 1 207 207 ALA CA C 207 51.700 51.700 53.721 -2.021 17717 4997 1 5 . 1 1 207 207 ALA CB C 207 18.200 18.200 18.474 -0.274 17717 4998 1 5 . 1 1 207 207 ALA H H 207 8.400 8.400 7.963 0.437 17717 4999 1 5 . 1 1 208 208 LEU N N 208 121.680 121.680 118.928 2.752 17717 5000 1 5 . 1 1 208 208 LEU HA H 208 4.480 4.480 4.305 0.175 17717 5001 1 5 . 1 1 208 208 LEU CA C 208 55.100 55.100 56.263 -1.163 17717 5002 1 5 . 1 1 208 208 LEU CB C 208 41.200 41.200 42.537 -1.337 17717 5003 1 5 . 1 1 208 208 LEU H H 208 8.180 8.180 7.608 0.572 17717 5004 1 5 . 1 1 209 209 GLU N N 209 121.147 121.147 119.829 1.318 17717 5005 1 5 . 1 1 209 209 GLU HA H 209 4.180 4.180 3.928 0.252 17717 5006 1 5 . 1 1 209 209 GLU CA C 209 56.477 56.477 59.605 -3.128 17717 5007 1 5 . 1 1 209 209 GLU CB C 209 29.250 29.250 28.555 0.695 17717 5008 1 5 . 1 1 209 209 GLU H H 209 8.380 8.380 7.931 0.449 17717 5009 1 5 . 1 1 210 210 ASP N N 210 121.147 121.147 119.871 1.276 17717 5010 1 5 . 1 1 210 210 ASP HA H 210 4.260 4.260 4.649 -0.389 17717 5011 1 5 . 1 1 210 210 ASP CA C 210 55.000 55.000 56.676 -1.676 17717 5012 1 5 . 1 1 210 210 ASP CB C 210 37.200 37.200 40.751 -3.551 17717 5013 1 5 . 1 1 210 210 ASP H H 210 8.280 8.280 8.473 -0.193 17717 5014 1 5 . 1 1 211 211 LEU N N 211 122.210 122.210 118.930 3.280 17717 5015 1 5 . 1 1 211 211 LEU HA H 211 4.220 4.220 4.038 0.182 17717 5016 1 5 . 1 1 211 211 LEU CA C 211 57.400 57.400 56.257 1.143 17717 5017 1 5 . 1 1 211 211 LEU CB C 211 39.430 39.430 41.527 -2.097 17717 5018 1 5 . 1 1 211 211 LEU H H 211 8.640 8.640 7.679 0.961 17717 5019 1 5 . 1 1 212 212 ARG N N 212 119.550 119.550 118.407 1.143 17717 5020 1 5 . 1 1 212 212 ARG HA H 212 4.220 4.220 3.938 0.282 17717 5021 1 5 . 1 1 212 212 ARG CA C 212 57.400 57.400 59.181 -1.780 17717 5022 1 5 . 1 1 212 212 ARG CB C 212 29.600 29.600 30.413 -0.813 17717 5023 1 5 . 1 1 212 212 ARG H H 212 7.910 7.910 7.800 0.110 17717 5024 1 5 . 1 1 213 213 HIS CA C 213 56.200 56.200 57.155 -0.955 17717 5025 1 5 . 1 1 213 213 HIS CB C 213 31.900 31.900 30.252 1.648 17717 5026 1 5 . 1 1 214 214 SER N N 214 116.366 116.366 116.815 -0.449 17717 5027 1 5 . 1 1 214 214 SER HA H 214 4.265 4.265 4.369 -0.104 17717 5028 1 5 . 1 1 214 214 SER CA C 214 61.100 61.100 56.905 4.195 17717 5029 1 5 . 1 1 214 214 SER CB C 214 63.100 63.100 62.016 1.084 17717 5030 1 5 . 1 1 214 214 SER H H 214 8.140 8.140 7.013 1.127 17717 5031 1 5 . 1 1 215 215 LEU N N 215 130.565 130.565 124.817 5.748 17717 5032 1 5 . 1 1 215 215 LEU HA H 215 4.730 4.730 4.460 0.270 17717 5033 1 5 . 1 1 215 215 LEU CA C 215 54.900 54.900 54.773 0.128 17717 5034 1 5 . 1 1 215 215 LEU CB C 215 42.000 42.000 43.673 -1.673 17717 5035 1 5 . 1 1 215 215 LEU H H 215 7.890 7.890 7.530 0.360 17717 5036 1 6 . 1 1 2 2 GLU N N 2 121.678 121.678 123.151 -1.473 17717 5037 1 6 . 1 1 2 2 GLU HA H 2 4.488 4.488 4.429 0.059 17717 5038 1 6 . 1 1 2 2 GLU CA C 2 56.418 56.418 55.543 0.875 17717 5039 1 6 . 1 1 2 2 GLU CB C 2 29.014 29.014 29.765 -0.751 17717 5040 1 6 . 1 1 2 2 GLU H H 2 8.276 8.276 8.332 -0.056 17717 5041 1 6 . 1 1 3 3 PRO CA C 3 62.923 62.923 62.852 0.070 17717 5042 1 6 . 1 1 3 3 PRO CB C 3 31.547 31.547 32.616 -1.069 17717 5043 1 6 . 1 1 4 4 GLN N N 4 121.147 121.147 118.067 3.080 17717 5044 1 6 . 1 1 4 4 GLN HA H 4 4.349 4.349 4.376 -0.027 17717 5045 1 6 . 1 1 4 4 GLN CA C 4 55.450 55.450 57.578 -2.128 17717 5046 1 6 . 1 1 4 4 GLN CB C 4 28.854 28.854 28.943 -0.089 17717 5047 1 6 . 1 1 4 4 GLN H H 4 8.500 8.500 8.562 -0.062 17717 5048 1 6 . 1 1 5 5 SER N N 5 117.429 117.429 108.872 8.557 17717 5049 1 6 . 1 1 5 5 SER HA H 5 4.329 4.329 3.026 1.303 17717 5050 1 6 . 1 1 5 5 SER CA C 5 58.100 58.100 57.642 0.458 17717 5051 1 6 . 1 1 5 5 SER CB C 5 63.485 63.485 62.925 0.560 17717 5052 1 6 . 1 1 5 5 SER H H 5 8.370 8.370 7.713 0.657 17717 5053 1 6 . 1 1 6 6 GLN N N 6 123.803 123.803 122.477 1.326 17717 5054 1 6 . 1 1 6 6 GLN CA C 6 56.330 56.330 59.309 -2.979 17717 5055 1 6 . 1 1 6 6 GLN CB C 6 28.800 28.800 28.817 -0.017 17717 5056 1 6 . 1 1 6 6 GLN H H 6 8.620 8.620 8.315 0.305 17717 5057 1 6 . 1 1 7 7 TRP N N 7 119.022 119.022 116.965 2.057 17717 5058 1 6 . 1 1 7 7 TRP HA H 7 4.394 4.394 4.509 -0.115 17717 5059 1 6 . 1 1 7 7 TRP CA C 7 59.800 59.800 58.870 0.930 17717 5060 1 6 . 1 1 7 7 TRP CB C 7 27.800 27.800 28.079 -0.279 17717 5061 1 6 . 1 1 7 7 TRP H H 7 7.970 7.970 8.215 -0.245 17717 5062 1 6 . 1 1 8 8 ASP N N 8 121.678 121.678 120.547 1.131 17717 5063 1 6 . 1 1 8 8 ASP HA H 8 4.409 4.409 4.401 0.008 17717 5064 1 6 . 1 1 8 8 ASP CA C 8 56.912 56.912 57.199 -0.287 17717 5065 1 6 . 1 1 8 8 ASP CB C 8 38.400 38.400 40.376 -1.976 17717 5066 1 6 . 1 1 8 8 ASP H H 8 8.440 8.440 6.886 1.554 17717 5067 1 6 . 1 1 9 9 LYS N N 9 120.616 120.616 120.679 -0.063 17717 5068 1 6 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.145 -0.055 17717 5069 1 6 . 1 1 9 9 LYS CA C 9 58.277 58.277 58.459 -0.182 17717 5070 1 6 . 1 1 9 9 LYS CB C 9 31.550 31.550 32.214 -0.664 17717 5071 1 6 . 1 1 9 9 LYS H H 9 7.830 7.830 7.204 0.626 17717 5072 1 6 . 1 1 10 10 VAL N N 10 118.491 118.491 115.613 2.878 17717 5073 1 6 . 1 1 10 10 VAL HA H 10 3.830 3.830 4.165 -0.335 17717 5074 1 6 . 1 1 10 10 VAL CA C 10 65.630 65.630 66.856 -1.226 17717 5075 1 6 . 1 1 10 10 VAL CB C 10 31.300 31.300 31.354 -0.054 17717 5076 1 6 . 1 1 10 10 VAL H H 10 7.160 7.160 8.418 -1.258 17717 5077 1 6 . 1 1 11 11 LYS N N 11 122.210 122.210 118.977 3.233 17717 5078 1 6 . 1 1 11 11 LYS HA H 11 3.880 3.880 3.866 0.014 17717 5079 1 6 . 1 1 11 11 LYS CA C 11 59.460 59.460 59.363 0.097 17717 5080 1 6 . 1 1 11 11 LYS CB C 11 31.200 31.200 31.996 -0.796 17717 5081 1 6 . 1 1 11 11 LYS H H 11 8.660 8.660 7.814 0.846 17717 5082 1 6 . 1 1 12 12 ASP N N 12 119.553 119.553 120.821 -1.268 17717 5083 1 6 . 1 1 12 12 ASP HA H 12 4.140 4.140 4.473 -0.333 17717 5084 1 6 . 1 1 12 12 ASP CA C 12 57.381 57.381 57.437 -0.056 17717 5085 1 6 . 1 1 12 12 ASP CB C 12 39.800 39.800 40.999 -1.199 17717 5086 1 6 . 1 1 12 12 ASP H H 12 7.790 7.790 7.705 0.085 17717 5087 1 6 . 1 1 13 13 PHE N N 13 116.500 116.500 118.619 -2.119 17717 5088 1 6 . 1 1 13 13 PHE HA H 13 4.690 4.690 4.195 0.495 17717 5089 1 6 . 1 1 13 13 PHE CA C 13 58.662 58.662 60.336 -1.674 17717 5090 1 6 . 1 1 13 13 PHE CB C 13 38.700 38.700 37.722 0.978 17717 5091 1 6 . 1 1 13 13 PHE H H 13 7.680 7.680 7.678 0.002 17717 5092 1 6 . 1 1 14 14 ALA N N 14 122.209 122.209 123.398 -1.189 17717 5093 1 6 . 1 1 14 14 ALA HA H 14 4.008 4.008 3.730 0.278 17717 5094 1 6 . 1 1 14 14 ALA CA C 14 54.550 54.550 54.734 -0.184 17717 5095 1 6 . 1 1 14 14 ALA CB C 14 17.250 17.250 18.066 -0.816 17717 5096 1 6 . 1 1 14 14 ALA H H 14 8.760 8.760 7.178 1.582 17717 5097 1 6 . 1 1 15 15 ASN N N 15 119.553 119.553 114.885 4.668 17717 5098 1 6 . 1 1 15 15 ASN HA H 15 4.520 4.520 4.317 0.203 17717 5099 1 6 . 1 1 15 15 ASN CA C 15 56.084 56.084 55.389 0.695 17717 5100 1 6 . 1 1 15 15 ASN CB C 15 38.544 38.544 38.401 0.143 17717 5101 1 6 . 1 1 15 15 ASN H H 15 8.930 8.930 7.481 1.449 17717 5102 1 6 . 1 1 16 16 VAL N N 16 116.897 116.897 122.125 -5.228 17717 5103 1 6 . 1 1 16 16 VAL HA H 16 3.590 3.590 3.657 -0.067 17717 5104 1 6 . 1 1 16 16 VAL CA C 16 64.600 64.600 67.456 -2.856 17717 5105 1 6 . 1 1 16 16 VAL CB C 16 31.800 31.800 31.464 0.336 17717 5106 1 6 . 1 1 16 16 VAL H H 16 7.870 7.870 7.606 0.264 17717 5107 1 6 . 1 1 17 17 TYR N N 17 112.116 112.116 117.563 -5.447 17717 5108 1 6 . 1 1 17 17 TYR HA H 17 4.751 4.751 4.353 0.398 17717 5109 1 6 . 1 1 17 17 TYR CA C 17 59.040 59.040 60.687 -1.647 17717 5110 1 6 . 1 1 17 17 TYR CB C 17 39.060 39.060 37.156 1.904 17717 5111 1 6 . 1 1 17 17 TYR H H 17 8.000 8.000 8.336 -0.336 17717 5112 1 6 . 1 1 18 18 VAL N N 18 114.241 114.241 121.178 -6.937 17717 5113 1 6 . 1 1 18 18 VAL HA H 18 4.220 4.220 3.463 0.757 17717 5114 1 6 . 1 1 18 18 VAL CA C 18 63.520 63.520 66.769 -3.249 17717 5115 1 6 . 1 1 18 18 VAL CB C 18 31.128 31.128 31.406 -0.278 17717 5116 1 6 . 1 1 18 18 VAL H H 18 7.600 7.600 6.764 0.836 17717 5117 1 6 . 1 1 19 19 ASP N N 19 123.272 123.272 120.046 3.226 17717 5118 1 6 . 1 1 19 19 ASP HA H 19 4.523 4.523 4.374 0.149 17717 5119 1 6 . 1 1 19 19 ASP CA C 19 56.445 56.445 57.721 -1.276 17717 5120 1 6 . 1 1 19 19 ASP CB C 19 38.700 38.700 40.883 -2.183 17717 5121 1 6 . 1 1 19 19 ASP H H 19 8.890 8.890 8.234 0.656 17717 5122 1 6 . 1 1 20 20 ALA N N 20 118.491 118.491 122.585 -4.094 17717 5123 1 6 . 1 1 20 20 ALA HA H 20 4.230 4.230 4.336 -0.106 17717 5124 1 6 . 1 1 20 20 ALA CA C 20 54.100 54.100 55.263 -1.163 17717 5125 1 6 . 1 1 20 20 ALA CB C 20 18.760 18.760 19.074 -0.314 17717 5126 1 6 . 1 1 20 20 ALA H H 20 6.630 6.630 7.569 -0.939 17717 5127 1 6 . 1 1 21 21 VAL N N 21 116.897 116.897 116.340 0.557 17717 5128 1 6 . 1 1 21 21 VAL HA H 21 3.664 3.664 3.858 -0.194 17717 5129 1 6 . 1 1 21 21 VAL CA C 21 66.200 66.200 65.376 0.824 17717 5130 1 6 . 1 1 21 21 VAL CB C 21 30.460 30.460 31.580 -1.120 17717 5131 1 6 . 1 1 21 21 VAL H H 21 7.410 7.410 7.807 -0.397 17717 5132 1 6 . 1 1 22 22 LYS N N 22 121.147 121.147 119.306 1.841 17717 5133 1 6 . 1 1 22 22 LYS HA H 22 4.222 4.222 4.089 0.133 17717 5134 1 6 . 1 1 22 22 LYS CA C 22 59.300 59.300 59.003 0.297 17717 5135 1 6 . 1 1 22 22 LYS CB C 22 31.100 31.100 31.646 -0.546 17717 5136 1 6 . 1 1 22 22 LYS H H 22 8.180 8.180 8.522 -0.342 17717 5137 1 6 . 1 1 23 23 ASP N N 23 121.278 121.278 119.740 1.538 17717 5138 1 6 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.504 0.062 17717 5139 1 6 . 1 1 23 23 ASP CA C 23 56.300 56.300 57.077 -0.777 17717 5140 1 6 . 1 1 23 23 ASP CB C 23 38.800 38.800 40.800 -2.000 17717 5141 1 6 . 1 1 23 23 ASP H H 23 8.860 8.860 7.942 0.918 17717 5142 1 6 . 1 1 24 24 SER N N 24 118.491 118.491 115.089 3.402 17717 5143 1 6 . 1 1 24 24 SER HA H 24 4.132 4.132 3.856 0.276 17717 5144 1 6 . 1 1 24 24 SER CA C 24 61.600 61.600 60.742 0.858 17717 5145 1 6 . 1 1 24 24 SER CB C 24 62.442 62.442 62.187 0.255 17717 5146 1 6 . 1 1 24 24 SER H H 24 7.950 7.950 7.939 0.011 17717 5147 1 6 . 1 1 25 25 GLY N N 25 108.377 108.377 110.877 -2.500 17717 5148 1 6 . 1 1 25 25 GLY CA C 25 44.400 44.400 46.691 -2.291 17717 5149 1 6 . 1 1 25 25 GLY H H 25 7.560 7.560 7.672 -0.112 17717 5150 1 6 . 1 1 26 26 ARG N N 26 124.240 124.240 121.827 2.413 17717 5151 1 6 . 1 1 26 26 ARG HA H 26 4.303 4.303 4.120 0.183 17717 5152 1 6 . 1 1 26 26 ARG CA C 26 54.000 54.000 59.311 -5.311 17717 5153 1 6 . 1 1 26 26 ARG CB C 26 28.240 28.240 30.037 -1.797 17717 5154 1 6 . 1 1 26 26 ARG H H 26 8.200 8.200 7.738 0.462 17717 5155 1 6 . 1 1 27 27 ASP N N 27 121.678 121.678 118.717 2.961 17717 5156 1 6 . 1 1 27 27 ASP HA H 27 4.211 4.211 4.569 -0.358 17717 5157 1 6 . 1 1 27 27 ASP CA C 27 58.380 58.380 57.175 1.205 17717 5158 1 6 . 1 1 27 27 ASP CB C 27 40.400 40.400 41.502 -1.102 17717 5159 1 6 . 1 1 27 27 ASP H H 27 7.880 7.880 7.680 0.200 17717 5160 1 6 . 1 1 28 28 TYR N N 28 121.440 121.440 121.512 -0.072 17717 5161 1 6 . 1 1 28 28 TYR HA H 28 4.480 4.480 4.256 0.224 17717 5162 1 6 . 1 1 28 28 TYR CA C 28 57.800 57.800 60.062 -2.262 17717 5163 1 6 . 1 1 28 28 TYR CB C 28 38.322 38.322 38.526 -0.204 17717 5164 1 6 . 1 1 28 28 TYR H H 28 8.020 8.020 8.231 -0.211 17717 5165 1 6 . 1 1 29 29 VAL N N 29 123.272 123.272 118.794 4.478 17717 5166 1 6 . 1 1 29 29 VAL HA H 29 4.040 4.040 3.400 0.640 17717 5167 1 6 . 1 1 29 29 VAL CA C 29 66.400 66.400 64.736 1.664 17717 5168 1 6 . 1 1 29 29 VAL CB C 29 30.500 30.500 31.006 -0.506 17717 5169 1 6 . 1 1 29 29 VAL H H 29 8.280 8.280 8.282 -0.002 17717 5170 1 6 . 1 1 30 30 SER N N 30 117.429 117.429 116.060 1.369 17717 5171 1 6 . 1 1 30 30 SER HA H 30 4.000 4.000 4.048 -0.048 17717 5172 1 6 . 1 1 30 30 SER CA C 30 61.070 61.070 62.111 -1.041 17717 5173 1 6 . 1 1 30 30 SER CB C 30 62.000 62.000 62.876 -0.876 17717 5174 1 6 . 1 1 30 30 SER H H 30 8.930 8.930 7.547 1.383 17717 5175 1 6 . 1 1 31 31 GLN N N 31 121.147 121.147 121.538 -0.391 17717 5176 1 6 . 1 1 31 31 GLN HA H 31 4.136 4.136 4.057 0.079 17717 5177 1 6 . 1 1 31 31 GLN CA C 31 58.210 58.210 58.570 -0.360 17717 5178 1 6 . 1 1 31 31 GLN CB C 31 27.600 27.600 28.416 -0.816 17717 5179 1 6 . 1 1 31 31 GLN H H 31 7.740 7.740 7.431 0.309 17717 5180 1 6 . 1 1 32 32 PHE N N 32 117.429 117.429 119.810 -2.381 17717 5181 1 6 . 1 1 32 32 PHE HA H 32 4.020 4.020 3.997 0.023 17717 5182 1 6 . 1 1 32 32 PHE CA C 32 60.600 60.600 61.447 -0.847 17717 5183 1 6 . 1 1 32 32 PHE CB C 32 36.896 36.896 38.785 -1.889 17717 5184 1 6 . 1 1 32 32 PHE H H 32 7.200 7.200 7.675 -0.475 17717 5185 1 6 . 1 1 33 33 GLU N N 33 122.210 122.210 118.733 3.477 17717 5186 1 6 . 1 1 33 33 GLU HA H 33 4.769 4.769 3.586 1.183 17717 5187 1 6 . 1 1 33 33 GLU CA C 33 59.220 59.220 58.881 0.339 17717 5188 1 6 . 1 1 33 33 GLU CB C 33 29.240 29.240 28.964 0.276 17717 5189 1 6 . 1 1 33 33 GLU H H 33 8.160 8.160 7.727 0.433 17717 5190 1 6 . 1 1 34 34 SER N N 34 109.991 109.991 113.752 -3.761 17717 5191 1 6 . 1 1 34 34 SER HA H 34 4.309 4.309 4.237 0.072 17717 5192 1 6 . 1 1 34 34 SER CA C 34 58.240 58.240 60.547 -2.307 17717 5193 1 6 . 1 1 34 34 SER CB C 34 63.260 63.260 62.816 0.444 17717 5194 1 6 . 1 1 34 34 SER H H 34 7.890 7.890 7.683 0.207 17717 5195 1 6 . 1 1 35 35 SER N N 35 120.085 120.085 118.457 1.628 17717 5196 1 6 . 1 1 35 35 SER HA H 35 4.354 4.354 4.101 0.253 17717 5197 1 6 . 1 1 35 35 SER CA C 35 58.100 58.100 61.680 -3.580 17717 5198 1 6 . 1 1 35 35 SER CB C 35 64.398 64.398 62.726 1.672 17717 5199 1 6 . 1 1 35 35 SER H H 35 7.420 7.420 7.982 -0.562 17717 5200 1 6 . 1 1 36 36 SER N N 36 116.130 116.130 118.774 -2.644 17717 5201 1 6 . 1 1 36 36 SER HA H 36 4.350 4.350 4.099 0.251 17717 5202 1 6 . 1 1 36 36 SER CA C 36 58.600 58.600 61.859 -3.259 17717 5203 1 6 . 1 1 36 36 SER CB C 36 63.370 63.370 62.824 0.546 17717 5204 1 6 . 1 1 36 36 SER H H 36 8.100 8.100 7.537 0.563 17717 5205 1 6 . 1 1 37 37 LEU N N 37 121.678 121.678 121.531 0.147 17717 5206 1 6 . 1 1 37 37 LEU HA H 37 4.222 4.222 4.093 0.129 17717 5207 1 6 . 1 1 37 37 LEU CA C 37 56.400 56.400 57.056 -0.656 17717 5208 1 6 . 1 1 37 37 LEU CB C 37 41.200 41.200 41.829 -0.629 17717 5209 1 6 . 1 1 37 37 LEU H H 37 8.290 8.290 7.434 0.856 17717 5210 1 6 . 1 1 38 38 GLY N N 38 108.400 108.400 104.676 3.724 17717 5211 1 6 . 1 1 38 38 GLY CA C 38 46.220 46.220 46.492 -0.272 17717 5212 1 6 . 1 1 38 38 GLY H H 38 7.280 7.280 8.053 -0.773 17717 5213 1 6 . 1 1 39 39 GLN N N 39 120.920 120.920 121.942 -1.022 17717 5214 1 6 . 1 1 39 39 GLN HA H 39 4.092 4.092 4.054 0.038 17717 5215 1 6 . 1 1 39 39 GLN CA C 39 57.423 57.423 58.855 -1.432 17717 5216 1 6 . 1 1 39 39 GLN CB C 39 28.847 28.847 28.431 0.416 17717 5217 1 6 . 1 1 39 39 GLN H H 39 8.360 8.360 7.759 0.601 17717 5218 1 6 . 1 1 40 40 GLN N N 40 118.648 118.648 118.865 -0.217 17717 5219 1 6 . 1 1 40 40 GLN HA H 40 4.040 4.040 4.103 -0.063 17717 5220 1 6 . 1 1 40 40 GLN CA C 40 57.471 57.471 58.349 -0.878 17717 5221 1 6 . 1 1 40 40 GLN CB C 40 28.777 28.777 28.348 0.430 17717 5222 1 6 . 1 1 40 40 GLN H H 40 7.630 7.630 7.711 -0.081 17717 5223 1 6 . 1 1 41 41 LEU N N 41 116.800 116.800 121.847 -5.047 17717 5224 1 6 . 1 1 41 41 LEU HA H 41 4.222 4.222 3.979 0.243 17717 5225 1 6 . 1 1 41 41 LEU CA C 41 55.400 55.400 58.130 -2.731 17717 5226 1 6 . 1 1 41 41 LEU CB C 41 41.754 41.754 41.997 -0.243 17717 5227 1 6 . 1 1 41 41 LEU H H 41 8.010 8.010 7.898 0.112 17717 5228 1 6 . 1 1 42 42 ASN N N 42 115.840 115.840 117.514 -1.674 17717 5229 1 6 . 1 1 42 42 ASN HA H 42 4.485 4.485 4.420 0.065 17717 5230 1 6 . 1 1 42 42 ASN CA C 42 53.500 53.500 56.210 -2.710 17717 5231 1 6 . 1 1 42 42 ASN CB C 42 37.000 37.000 38.610 -1.610 17717 5232 1 6 . 1 1 42 42 ASN H H 42 7.840 7.840 7.745 0.095 17717 5233 1 6 . 1 1 43 43 LEU N N 43 118.490 118.490 120.349 -1.859 17717 5234 1 6 . 1 1 43 43 LEU HA H 43 4.480 4.480 4.060 0.420 17717 5235 1 6 . 1 1 43 43 LEU CA C 43 55.502 55.502 57.877 -2.375 17717 5236 1 6 . 1 1 43 43 LEU CB C 43 41.200 41.200 41.410 -0.210 17717 5237 1 6 . 1 1 43 43 LEU H H 43 9.670 9.670 7.928 1.742 17717 5238 1 6 . 1 1 44 44 ASN N N 44 119.553 119.553 117.331 2.222 17717 5239 1 6 . 1 1 44 44 ASN HA H 44 4.520 4.520 4.696 -0.176 17717 5240 1 6 . 1 1 44 44 ASN CA C 44 52.770 52.770 56.300 -3.530 17717 5241 1 6 . 1 1 44 44 ASN CB C 44 36.200 36.200 38.380 -2.180 17717 5242 1 6 . 1 1 44 44 ASN H H 44 8.950 8.950 8.038 0.912 17717 5243 1 6 . 1 1 45 45 LEU N N 45 119.553 119.553 117.616 1.937 17717 5244 1 6 . 1 1 45 45 LEU HA H 45 4.048 4.048 4.608 -0.560 17717 5245 1 6 . 1 1 45 45 LEU CA C 45 55.569 55.569 57.641 -2.072 17717 5246 1 6 . 1 1 45 45 LEU CB C 45 41.250 41.250 41.617 -0.367 17717 5247 1 6 . 1 1 45 45 LEU H H 45 8.970 8.970 7.819 1.151 17717 5248 1 6 . 1 1 46 46 LEU N N 46 116.900 116.900 119.695 -2.795 17717 5249 1 6 . 1 1 46 46 LEU HA H 46 4.351 4.351 4.264 0.087 17717 5250 1 6 . 1 1 46 46 LEU CA C 46 54.684 54.684 57.573 -2.889 17717 5251 1 6 . 1 1 46 46 LEU CB C 46 39.800 39.800 42.348 -2.548 17717 5252 1 6 . 1 1 46 46 LEU H H 46 8.450 8.450 7.476 0.974 17717 5253 1 6 . 1 1 47 47 GLU N N 47 122.741 122.741 119.521 3.220 17717 5254 1 6 . 1 1 47 47 GLU HA H 47 4.018 4.018 3.906 0.112 17717 5255 1 6 . 1 1 47 47 GLU CA C 47 58.280 58.280 59.384 -1.104 17717 5256 1 6 . 1 1 47 47 GLU CB C 47 28.800 28.800 29.137 -0.337 17717 5257 1 6 . 1 1 47 47 GLU H H 47 7.490 7.490 8.195 -0.705 17717 5258 1 6 . 1 1 48 48 ASN N N 48 117.200 117.200 118.409 -1.209 17717 5259 1 6 . 1 1 48 48 ASN HA H 48 4.300 4.300 4.564 -0.264 17717 5260 1 6 . 1 1 48 48 ASN CA C 48 53.550 53.550 55.934 -2.385 17717 5261 1 6 . 1 1 48 48 ASN CB C 48 38.490 38.490 37.898 0.592 17717 5262 1 6 . 1 1 48 48 ASN H H 48 8.450 8.450 8.446 0.004 17717 5263 1 6 . 1 1 49 49 TRP N N 49 119.320 119.320 121.180 -1.860 17717 5264 1 6 . 1 1 49 49 TRP HA H 49 4.300 4.300 4.446 -0.146 17717 5265 1 6 . 1 1 49 49 TRP CA C 49 56.200 56.200 59.812 -3.612 17717 5266 1 6 . 1 1 49 49 TRP CB C 49 27.800 27.800 29.160 -1.361 17717 5267 1 6 . 1 1 49 49 TRP H H 49 8.050 8.050 7.704 0.346 17717 5268 1 6 . 1 1 50 50 ASP N N 50 124.860 124.860 117.413 7.447 17717 5269 1 6 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.884 -0.194 17717 5270 1 6 . 1 1 50 50 ASP CA C 50 54.180 54.180 55.602 -1.422 17717 5271 1 6 . 1 1 50 50 ASP CB C 50 40.318 40.318 43.627 -3.309 17717 5272 1 6 . 1 1 50 50 ASP H H 50 8.470 8.470 7.805 0.665 17717 5273 1 6 . 1 1 51 51 THR N N 51 114.240 114.240 112.672 1.568 17717 5274 1 6 . 1 1 51 51 THR HA H 51 4.250 4.250 4.521 -0.271 17717 5275 1 6 . 1 1 51 51 THR CA C 51 61.800 61.800 61.368 0.432 17717 5276 1 6 . 1 1 51 51 THR CB C 51 69.000 69.000 70.086 -1.086 17717 5277 1 6 . 1 1 51 51 THR H H 51 7.920 7.920 8.284 -0.364 17717 5278 1 6 . 1 1 52 52 LEU N N 52 124.335 124.335 127.191 -2.856 17717 5279 1 6 . 1 1 52 52 LEU HA H 52 4.261 4.261 4.255 0.006 17717 5280 1 6 . 1 1 52 52 LEU CA C 52 54.800 54.800 56.379 -1.579 17717 5281 1 6 . 1 1 52 52 LEU CB C 52 41.200 41.200 42.352 -1.152 17717 5282 1 6 . 1 1 52 52 LEU H H 52 8.000 8.000 8.623 -0.624 17717 5283 1 6 . 1 1 53 53 GLY N N 53 109.991 109.991 111.796 -1.805 17717 5284 1 6 . 1 1 53 53 GLY CA C 53 44.700 44.700 44.677 0.023 17717 5285 1 6 . 1 1 53 53 GLY H H 53 8.450 8.450 8.560 -0.111 17717 5286 1 6 . 1 1 54 54 SER N N 54 113.710 113.710 114.467 -0.757 17717 5287 1 6 . 1 1 54 54 SER HA H 54 4.480 4.480 4.332 0.148 17717 5288 1 6 . 1 1 54 54 SER CA C 54 57.300 57.300 59.565 -2.264 17717 5289 1 6 . 1 1 54 54 SER CB C 54 63.100 63.100 63.463 -0.363 17717 5290 1 6 . 1 1 54 54 SER H H 54 8.060 8.060 8.143 -0.083 17717 5291 1 6 . 1 1 55 55 THR N N 55 116.897 116.897 113.737 3.160 17717 5292 1 6 . 1 1 55 55 THR HA H 55 4.044 4.044 4.428 -0.384 17717 5293 1 6 . 1 1 55 55 THR CA C 55 61.700 61.700 62.354 -0.654 17717 5294 1 6 . 1 1 55 55 THR CB C 55 69.800 69.800 70.331 -0.531 17717 5295 1 6 . 1 1 55 55 THR H H 55 8.210 8.210 8.181 0.029 17717 5296 1 6 . 1 1 56 56 VAL N N 56 123.300 123.300 119.400 3.900 17717 5297 1 6 . 1 1 56 56 VAL HA H 56 3.793 3.793 3.739 0.054 17717 5298 1 6 . 1 1 56 56 VAL CA C 56 66.384 66.384 63.698 2.686 17717 5299 1 6 . 1 1 56 56 VAL CB C 56 30.268 30.268 30.125 0.143 17717 5300 1 6 . 1 1 56 56 VAL H H 56 8.280 8.280 8.269 0.011 17717 5301 1 6 . 1 1 57 57 SER N N 57 117.429 117.429 114.722 2.707 17717 5302 1 6 . 1 1 57 57 SER HA H 57 4.136 4.136 4.405 -0.269 17717 5303 1 6 . 1 1 57 57 SER CA C 57 61.100 61.100 58.817 2.283 17717 5304 1 6 . 1 1 57 57 SER CB C 57 62.800 62.800 63.367 -0.567 17717 5305 1 6 . 1 1 57 57 SER H H 57 7.850 7.850 8.040 -0.190 17717 5306 1 6 . 1 1 58 58 GLN N N 58 128.580 128.580 118.185 10.395 17717 5307 1 6 . 1 1 58 58 GLN HA H 58 4.260 4.260 4.383 -0.123 17717 5308 1 6 . 1 1 58 58 GLN CA C 58 56.642 56.642 56.527 0.115 17717 5309 1 6 . 1 1 58 58 GLN CB C 58 29.023 29.023 29.258 -0.235 17717 5310 1 6 . 1 1 58 58 GLN H H 58 7.990 7.990 8.123 -0.133 17717 5311 1 6 . 1 1 59 59 LEU N N 59 122.210 122.210 120.309 1.901 17717 5312 1 6 . 1 1 59 59 LEU HA H 59 4.310 4.310 4.061 0.249 17717 5313 1 6 . 1 1 59 59 LEU CA C 59 55.300 55.300 58.646 -3.346 17717 5314 1 6 . 1 1 59 59 LEU CB C 59 41.160 41.160 40.947 0.213 17717 5315 1 6 . 1 1 59 59 LEU H H 59 8.050 8.050 8.147 -0.097 17717 5316 1 6 . 1 1 60 60 GLN N N 60 120.085 120.085 118.904 1.181 17717 5317 1 6 . 1 1 60 60 GLN HA H 60 4.222 4.222 4.202 0.020 17717 5318 1 6 . 1 1 60 60 GLN CA C 60 55.960 55.960 59.140 -3.180 17717 5319 1 6 . 1 1 60 60 GLN CB C 60 27.900 27.900 28.018 -0.118 17717 5320 1 6 . 1 1 60 60 GLN H H 60 8.210 8.210 8.610 -0.400 17717 5321 1 6 . 1 1 61 61 GLU N N 61 120.920 120.920 118.505 2.415 17717 5322 1 6 . 1 1 61 61 GLU HA H 61 4.216 4.216 3.998 0.218 17717 5323 1 6 . 1 1 61 61 GLU CA C 61 56.900 56.900 59.387 -2.487 17717 5324 1 6 . 1 1 61 61 GLU CB C 61 28.500 28.500 29.281 -0.781 17717 5325 1 6 . 1 1 61 61 GLU H H 61 8.590 8.590 8.688 -0.098 17717 5326 1 6 . 1 1 62 62 ARG N N 62 118.833 118.833 117.960 0.873 17717 5327 1 6 . 1 1 62 62 ARG HA H 62 4.161 4.161 4.226 -0.065 17717 5328 1 6 . 1 1 62 62 ARG CA C 62 58.030 58.030 58.059 -0.029 17717 5329 1 6 . 1 1 62 62 ARG CB C 62 29.400 29.400 30.357 -0.957 17717 5330 1 6 . 1 1 62 62 ARG H H 62 7.680 7.680 8.299 -0.619 17717 5331 1 6 . 1 1 63 63 LEU N N 63 118.790 118.790 120.670 -1.880 17717 5332 1 6 . 1 1 63 63 LEU HA H 63 4.100 4.100 4.095 0.005 17717 5333 1 6 . 1 1 63 63 LEU CA C 63 56.360 56.360 57.537 -1.177 17717 5334 1 6 . 1 1 63 63 LEU CB C 63 41.130 41.130 41.385 -0.255 17717 5335 1 6 . 1 1 63 63 LEU H H 63 8.320 8.320 7.753 0.567 17717 5336 1 6 . 1 1 64 64 GLY N N 64 104.679 104.679 108.134 -3.455 17717 5337 1 6 . 1 1 64 64 GLY CA C 64 44.145 44.145 48.061 -3.916 17717 5338 1 6 . 1 1 64 64 GLY H H 64 7.220 7.220 8.373 -1.153 17717 5339 1 6 . 1 1 65 65 PRO CA C 65 62.817 62.817 64.853 -2.036 17717 5340 1 6 . 1 1 65 65 PRO CB C 65 31.290 31.290 31.438 -0.148 17717 5341 1 6 . 1 1 66 66 LEU N N 66 124.866 124.866 120.868 3.998 17717 5342 1 6 . 1 1 66 66 LEU HA H 66 4.609 4.609 4.329 0.280 17717 5343 1 6 . 1 1 66 66 LEU CA C 66 52.900 52.900 58.688 -5.788 17717 5344 1 6 . 1 1 66 66 LEU CB C 66 43.200 43.200 41.075 2.125 17717 5345 1 6 . 1 1 66 66 LEU H H 66 8.550 8.550 8.011 0.539 17717 5346 1 6 . 1 1 67 67 THR N N 67 112.116 112.116 113.180 -1.064 17717 5347 1 6 . 1 1 67 67 THR HA H 67 4.824 4.824 4.453 0.371 17717 5348 1 6 . 1 1 67 67 THR CA C 67 59.240 59.240 66.213 -6.973 17717 5349 1 6 . 1 1 67 67 THR CB C 67 71.550 71.550 68.993 2.557 17717 5350 1 6 . 1 1 67 67 THR H H 67 7.650 7.650 7.934 -0.284 17717 5351 1 6 . 1 1 68 68 ARG N N 68 120.085 120.085 119.788 0.297 17717 5352 1 6 . 1 1 68 68 ARG HA H 68 4.230 4.230 3.968 0.262 17717 5353 1 6 . 1 1 68 68 ARG CA C 68 58.600 58.600 59.329 -0.729 17717 5354 1 6 . 1 1 68 68 ARG CB C 68 28.900 28.900 30.071 -1.171 17717 5355 1 6 . 1 1 68 68 ARG H H 68 8.950 8.950 7.563 1.387 17717 5356 1 6 . 1 1 69 69 ASP N N 69 116.366 116.366 119.892 -3.526 17717 5357 1 6 . 1 1 69 69 ASP HA H 69 4.249 4.249 4.359 -0.110 17717 5358 1 6 . 1 1 69 69 ASP CA C 69 56.100 56.100 58.429 -2.329 17717 5359 1 6 . 1 1 69 69 ASP CB C 69 39.550 39.550 40.771 -1.221 17717 5360 1 6 . 1 1 69 69 ASP H H 69 8.100 8.100 7.825 0.275 17717 5361 1 6 . 1 1 70 70 PHE N N 70 119.553 119.553 118.882 0.671 17717 5362 1 6 . 1 1 70 70 PHE HA H 70 4.090 4.090 3.923 0.167 17717 5363 1 6 . 1 1 70 70 PHE CA C 70 60.700 60.700 59.281 1.419 17717 5364 1 6 . 1 1 70 70 PHE CB C 70 38.100 38.100 37.648 0.452 17717 5365 1 6 . 1 1 70 70 PHE H H 70 7.420 7.420 7.136 0.284 17717 5366 1 6 . 1 1 71 71 TRP N N 71 120.085 120.085 122.243 -2.158 17717 5367 1 6 . 1 1 71 71 TRP HA H 71 4.044 4.044 3.251 0.793 17717 5368 1 6 . 1 1 71 71 TRP CA C 71 58.100 58.100 61.470 -3.370 17717 5369 1 6 . 1 1 71 71 TRP CB C 71 28.100 28.100 28.731 -0.631 17717 5370 1 6 . 1 1 71 71 TRP H H 71 6.950 6.950 7.114 -0.164 17717 5371 1 6 . 1 1 72 72 ASP N N 72 121.450 121.450 117.696 3.754 17717 5372 1 6 . 1 1 72 72 ASP HA H 72 4.310 4.310 3.435 0.875 17717 5373 1 6 . 1 1 72 72 ASP CA C 72 55.350 55.350 56.327 -0.977 17717 5374 1 6 . 1 1 72 72 ASP CB C 72 40.000 40.000 40.229 -0.229 17717 5375 1 6 . 1 1 72 72 ASP H H 72 8.350 8.350 7.715 0.635 17717 5376 1 6 . 1 1 73 73 ASN N N 73 117.200 117.200 118.617 -1.417 17717 5377 1 6 . 1 1 73 73 ASN HA H 73 4.220 4.220 4.353 -0.133 17717 5378 1 6 . 1 1 73 73 ASN CA C 73 54.500 54.500 56.462 -1.962 17717 5379 1 6 . 1 1 73 73 ASN CB C 73 40.000 40.000 38.838 1.162 17717 5380 1 6 . 1 1 73 73 ASN H H 73 7.700 7.700 7.645 0.055 17717 5381 1 6 . 1 1 74 74 LEU N N 74 123.600 123.600 119.943 3.657 17717 5382 1 6 . 1 1 74 74 LEU HA H 74 4.350 4.350 4.377 -0.027 17717 5383 1 6 . 1 1 74 74 LEU CA C 74 54.700 54.700 57.720 -3.020 17717 5384 1 6 . 1 1 74 74 LEU CB C 74 41.400 41.400 42.196 -0.796 17717 5385 1 6 . 1 1 74 74 LEU H H 74 8.330 8.330 8.441 -0.111 17717 5386 1 6 . 1 1 75 75 GLU N N 75 121.400 121.400 120.585 0.815 17717 5387 1 6 . 1 1 75 75 GLU HA H 75 4.000 4.000 3.800 0.200 17717 5388 1 6 . 1 1 75 75 GLU CA C 75 58.200 58.200 59.107 -0.907 17717 5389 1 6 . 1 1 75 75 GLU CB C 75 28.400 28.400 28.746 -0.346 17717 5390 1 6 . 1 1 75 75 GLU H H 75 8.600 8.600 8.243 0.357 17717 5391 1 6 . 1 1 76 76 LYS N N 76 118.000 118.000 118.802 -0.802 17717 5392 1 6 . 1 1 76 76 LYS HA H 76 4.117 4.117 4.115 0.002 17717 5393 1 6 . 1 1 76 76 LYS CA C 76 58.400 58.400 58.945 -0.545 17717 5394 1 6 . 1 1 76 76 LYS CB C 76 32.480 32.480 32.487 -0.007 17717 5395 1 6 . 1 1 76 76 LYS H H 76 7.690 7.690 7.365 0.325 17717 5396 1 6 . 1 1 77 77 GLU N N 77 115.835 115.835 119.102 -3.267 17717 5397 1 6 . 1 1 77 77 GLU HA H 77 4.310 4.310 3.983 0.327 17717 5398 1 6 . 1 1 77 77 GLU CA C 77 54.785 54.785 60.172 -5.388 17717 5399 1 6 . 1 1 77 77 GLU CB C 77 28.355 28.355 29.433 -1.078 17717 5400 1 6 . 1 1 77 77 GLU H H 77 8.290 8.290 7.839 0.451 17717 5401 1 6 . 1 1 78 78 THR N N 78 120.300 120.300 112.300 8.000 17717 5402 1 6 . 1 1 78 78 THR HA H 78 4.410 4.410 3.924 0.486 17717 5403 1 6 . 1 1 78 78 THR CA C 78 68.100 68.100 66.749 1.351 17717 5404 1 6 . 1 1 78 78 THR CB C 78 69.451 69.451 68.437 1.014 17717 5405 1 6 . 1 1 78 78 THR H H 78 7.490 7.490 8.292 -0.802 17717 5406 1 6 . 1 1 79 79 ASP N N 79 120.085 120.085 121.852 -1.767 17717 5407 1 6 . 1 1 79 79 ASP HA H 79 4.480 4.480 4.353 0.127 17717 5408 1 6 . 1 1 79 79 ASP CA C 79 57.426 57.426 57.201 0.225 17717 5409 1 6 . 1 1 79 79 ASP CB C 79 39.240 39.240 40.760 -1.520 17717 5410 1 6 . 1 1 79 79 ASP H H 79 8.880 8.880 7.749 1.131 17717 5411 1 6 . 1 1 80 80 TRP N N 80 123.803 123.803 121.953 1.850 17717 5412 1 6 . 1 1 80 80 TRP HA H 80 4.280 4.280 4.346 -0.065 17717 5413 1 6 . 1 1 80 80 TRP CA C 80 60.660 60.660 61.685 -1.025 17717 5414 1 6 . 1 1 80 80 TRP CB C 80 27.000 27.000 30.377 -3.377 17717 5415 1 6 . 1 1 80 80 TRP H H 80 7.760 7.760 7.970 -0.210 17717 5416 1 6 . 1 1 81 81 VAL N N 81 118.790 118.790 117.240 1.550 17717 5417 1 6 . 1 1 81 81 VAL HA H 81 4.280 4.280 3.897 0.383 17717 5418 1 6 . 1 1 81 81 VAL CA C 81 61.200 61.200 66.244 -5.044 17717 5419 1 6 . 1 1 81 81 VAL CB C 81 29.900 29.900 31.806 -1.907 17717 5420 1 6 . 1 1 81 81 VAL H H 81 8.160 8.160 8.884 -0.724 17717 5421 1 6 . 1 1 82 82 ARG N N 82 119.190 119.190 120.044 -0.854 17717 5422 1 6 . 1 1 82 82 ARG HA H 82 4.480 4.480 3.987 0.493 17717 5423 1 6 . 1 1 82 82 ARG CA C 82 58.400 58.400 59.358 -0.958 17717 5424 1 6 . 1 1 82 82 ARG CB C 82 29.800 29.800 30.125 -0.325 17717 5425 1 6 . 1 1 82 82 ARG H H 82 7.100 7.100 8.366 -1.266 17717 5426 1 6 . 1 1 83 83 GLN N N 83 117.960 117.960 118.344 -0.384 17717 5427 1 6 . 1 1 83 83 GLN HA H 83 4.222 4.222 3.964 0.258 17717 5428 1 6 . 1 1 83 83 GLN CA C 83 55.600 55.600 58.460 -2.860 17717 5429 1 6 . 1 1 83 83 GLN CB C 83 28.550 28.550 28.264 0.286 17717 5430 1 6 . 1 1 83 83 GLN H H 83 8.050 8.050 7.809 0.241 17717 5431 1 6 . 1 1 84 84 GLU N N 84 119.022 119.022 118.773 0.249 17717 5432 1 6 . 1 1 84 84 GLU HA H 84 4.100 4.100 3.969 0.131 17717 5433 1 6 . 1 1 84 84 GLU CA C 84 57.300 57.300 58.261 -0.961 17717 5434 1 6 . 1 1 84 84 GLU CB C 84 28.600 28.600 29.033 -0.433 17717 5435 1 6 . 1 1 84 84 GLU H H 84 7.920 7.920 8.315 -0.395 17717 5436 1 6 . 1 1 85 85 MET N N 85 117.565 117.565 120.487 -2.922 17717 5437 1 6 . 1 1 85 85 MET HA H 85 4.265 4.265 3.986 0.279 17717 5438 1 6 . 1 1 85 85 MET CA C 85 55.020 55.020 59.239 -4.219 17717 5439 1 6 . 1 1 85 85 MET CB C 85 33.000 33.000 32.160 0.840 17717 5440 1 6 . 1 1 85 85 MET H H 85 8.230 8.230 7.664 0.566 17717 5441 1 6 . 1 1 86 86 ASN N N 86 119.022 119.022 116.272 2.750 17717 5442 1 6 . 1 1 86 86 ASN HA H 86 4.570 4.570 4.457 0.113 17717 5443 1 6 . 1 1 86 86 ASN CA C 86 56.000 56.000 56.537 -0.537 17717 5444 1 6 . 1 1 86 86 ASN CB C 86 37.700 37.700 38.543 -0.843 17717 5445 1 6 . 1 1 86 86 ASN H H 86 8.600 8.600 7.730 0.870 17717 5446 1 6 . 1 1 87 87 LYS N N 87 120.273 120.273 120.321 -0.048 17717 5447 1 6 . 1 1 87 87 LYS HA H 87 4.100 4.100 3.878 0.222 17717 5448 1 6 . 1 1 87 87 LYS CA C 87 59.000 59.000 59.654 -0.654 17717 5449 1 6 . 1 1 87 87 LYS CB C 87 30.900 30.900 32.209 -1.309 17717 5450 1 6 . 1 1 87 87 LYS H H 87 7.220 7.220 7.561 -0.341 17717 5451 1 6 . 1 1 88 88 ASP N N 88 121.147 121.147 118.793 2.354 17717 5452 1 6 . 1 1 88 88 ASP HA H 88 4.480 4.480 4.421 0.059 17717 5453 1 6 . 1 1 88 88 ASP CA C 88 56.840 56.840 57.006 -0.166 17717 5454 1 6 . 1 1 88 88 ASP CB C 88 39.450 39.450 40.586 -1.136 17717 5455 1 6 . 1 1 88 88 ASP H H 88 7.390 7.390 8.033 -0.643 17717 5456 1 6 . 1 1 89 89 LEU N N 89 122.741 122.741 120.341 2.400 17717 5457 1 6 . 1 1 89 89 LEU HA H 89 4.470 4.470 3.902 0.568 17717 5458 1 6 . 1 1 89 89 LEU CA C 89 57.000 57.000 58.655 -1.655 17717 5459 1 6 . 1 1 89 89 LEU CB C 89 41.000 41.000 42.170 -1.170 17717 5460 1 6 . 1 1 89 89 LEU H H 89 8.910 8.910 7.413 1.497 17717 5461 1 6 . 1 1 90 90 GLU N N 90 119.553 119.553 117.545 2.008 17717 5462 1 6 . 1 1 90 90 GLU HA H 90 4.050 4.050 4.123 -0.073 17717 5463 1 6 . 1 1 90 90 GLU CA C 90 59.100 59.100 58.620 0.480 17717 5464 1 6 . 1 1 90 90 GLU CB C 90 28.556 28.556 29.681 -1.125 17717 5465 1 6 . 1 1 90 90 GLU H H 90 8.260 8.260 7.766 0.494 17717 5466 1 6 . 1 1 91 91 GLU N N 91 119.190 119.190 120.206 -1.016 17717 5467 1 6 . 1 1 91 91 GLU HA H 91 4.136 4.136 4.151 -0.015 17717 5468 1 6 . 1 1 91 91 GLU CA C 91 58.600 58.600 59.288 -0.688 17717 5469 1 6 . 1 1 91 91 GLU CB C 91 28.600 28.600 29.866 -1.266 17717 5470 1 6 . 1 1 91 91 GLU H H 91 7.470 7.470 7.864 -0.394 17717 5471 1 6 . 1 1 92 92 VAL N N 92 122.230 122.230 116.003 6.227 17717 5472 1 6 . 1 1 92 92 VAL HA H 92 3.837 3.837 3.927 -0.090 17717 5473 1 6 . 1 1 92 92 VAL CA C 92 65.900 65.900 66.440 -0.540 17717 5474 1 6 . 1 1 92 92 VAL CB C 92 29.200 29.200 32.074 -2.874 17717 5475 1 6 . 1 1 92 92 VAL H H 92 8.420 8.420 8.281 0.139 17717 5476 1 6 . 1 1 93 93 LYS N N 93 121.300 121.300 118.460 2.840 17717 5477 1 6 . 1 1 93 93 LYS HA H 93 3.836 3.836 4.206 -0.370 17717 5478 1 6 . 1 1 93 93 LYS CA C 93 59.900 59.900 58.840 1.060 17717 5479 1 6 . 1 1 93 93 LYS CB C 93 31.277 31.277 31.928 -0.651 17717 5480 1 6 . 1 1 93 93 LYS H H 93 9.000 9.000 7.582 1.418 17717 5481 1 6 . 1 1 94 94 GLN N N 94 116.900 116.900 117.298 -0.398 17717 5482 1 6 . 1 1 94 94 GLN HA H 94 4.094 4.094 4.328 -0.234 17717 5483 1 6 . 1 1 94 94 GLN CA C 94 57.731 57.731 57.963 -0.232 17717 5484 1 6 . 1 1 94 94 GLN CB C 94 27.700 27.700 28.374 -0.674 17717 5485 1 6 . 1 1 94 94 GLN H H 94 7.320 7.320 7.863 -0.543 17717 5486 1 6 . 1 1 95 95 LYS N N 95 119.190 119.190 119.592 -0.402 17717 5487 1 6 . 1 1 95 95 LYS HA H 95 4.137 4.137 4.219 -0.082 17717 5488 1 6 . 1 1 95 95 LYS CA C 95 57.700 57.700 58.416 -0.716 17717 5489 1 6 . 1 1 95 95 LYS CB C 95 31.800 31.800 33.229 -1.429 17717 5490 1 6 . 1 1 95 95 LYS H H 95 7.590 7.590 7.689 -0.099 17717 5491 1 6 . 1 1 96 96 VAL N N 96 111.000 111.000 115.967 -4.967 17717 5492 1 6 . 1 1 96 96 VAL HA H 96 4.138 4.138 3.805 0.333 17717 5493 1 6 . 1 1 96 96 VAL CA C 96 61.600 61.600 65.929 -4.329 17717 5494 1 6 . 1 1 96 96 VAL CB C 96 31.500 31.500 31.609 -0.109 17717 5495 1 6 . 1 1 96 96 VAL H H 96 7.960 7.960 7.759 0.201 17717 5496 1 6 . 1 1 97 97 GLN N N 97 122.210 122.210 119.325 2.885 17717 5497 1 6 . 1 1 97 97 GLN HA H 97 4.030 4.030 3.961 0.069 17717 5498 1 6 . 1 1 97 97 GLN CA C 97 59.226 59.226 59.554 -0.328 17717 5499 1 6 . 1 1 97 97 GLN CB C 97 24.578 24.578 26.978 -2.400 17717 5500 1 6 . 1 1 97 97 GLN H H 97 7.380 7.380 8.198 -0.818 17717 5501 1 6 . 1 1 98 98 PRO CA C 98 65.400 65.400 63.156 2.244 17717 5502 1 6 . 1 1 98 98 PRO CB C 98 30.336 30.336 31.762 -1.426 17717 5503 1 6 . 1 1 99 99 TYR N N 99 116.900 116.900 113.985 2.915 17717 5504 1 6 . 1 1 99 99 TYR HA H 99 4.480 4.480 4.186 0.294 17717 5505 1 6 . 1 1 99 99 TYR CA C 99 58.446 58.446 57.848 0.598 17717 5506 1 6 . 1 1 99 99 TYR CB C 99 36.344 36.344 34.823 1.521 17717 5507 1 6 . 1 1 99 99 TYR H H 99 7.100 7.100 7.275 -0.175 17717 5508 1 6 . 1 1 100 100 LEU N N 100 123.270 123.270 121.210 2.060 17717 5509 1 6 . 1 1 100 100 LEU HA H 100 3.964 3.964 4.469 -0.505 17717 5510 1 6 . 1 1 100 100 LEU CA C 100 57.300 57.300 53.617 3.683 17717 5511 1 6 . 1 1 100 100 LEU CB C 100 40.950 40.950 43.478 -2.528 17717 5512 1 6 . 1 1 100 100 LEU H H 100 7.500 7.500 7.538 -0.038 17717 5513 1 6 . 1 1 101 101 ASP N N 101 119.500 119.500 118.607 0.893 17717 5514 1 6 . 1 1 101 101 ASP HA H 101 3.810 3.810 4.831 -1.021 17717 5515 1 6 . 1 1 101 101 ASP CA C 101 58.200 58.200 54.212 3.988 17717 5516 1 6 . 1 1 101 101 ASP CB C 101 39.100 39.100 40.365 -1.265 17717 5517 1 6 . 1 1 101 101 ASP H H 101 8.450 8.450 8.581 -0.131 17717 5518 1 6 . 1 1 102 102 GLU N N 102 121.221 121.221 120.776 0.445 17717 5519 1 6 . 1 1 102 102 GLU HA H 102 4.222 4.222 3.946 0.276 17717 5520 1 6 . 1 1 102 102 GLU CA C 102 59.200 59.200 58.858 0.342 17717 5521 1 6 . 1 1 102 102 GLU CB C 102 31.100 31.100 28.741 2.360 17717 5522 1 6 . 1 1 102 102 GLU H H 102 8.190 8.190 8.374 -0.184 17717 5523 1 6 . 1 1 103 103 PHE N N 103 124.065 124.065 120.042 4.023 17717 5524 1 6 . 1 1 103 103 PHE HA H 103 4.520 4.520 4.135 0.385 17717 5525 1 6 . 1 1 103 103 PHE CA C 103 57.183 57.183 61.365 -4.182 17717 5526 1 6 . 1 1 103 103 PHE CB C 103 38.608 38.608 37.651 0.957 17717 5527 1 6 . 1 1 103 103 PHE H H 103 8.170 8.170 7.368 0.802 17717 5528 1 6 . 1 1 104 104 GLN N N 104 123.272 123.272 117.152 6.120 17717 5529 1 6 . 1 1 104 104 GLN HA H 104 4.222 4.222 4.053 0.169 17717 5530 1 6 . 1 1 104 104 GLN CA C 104 55.460 55.460 58.508 -3.048 17717 5531 1 6 . 1 1 104 104 GLN CB C 104 29.200 29.200 28.206 0.994 17717 5532 1 6 . 1 1 104 104 GLN H H 104 8.030 8.030 8.683 -0.653 17717 5533 1 6 . 1 1 105 105 LYS N N 105 119.600 119.600 121.311 -1.711 17717 5534 1 6 . 1 1 105 105 LYS HA H 105 4.136 4.136 4.097 0.039 17717 5535 1 6 . 1 1 105 105 LYS CA C 105 57.830 57.830 58.819 -0.989 17717 5536 1 6 . 1 1 105 105 LYS CB C 105 32.220 32.220 32.149 0.071 17717 5537 1 6 . 1 1 105 105 LYS H H 105 7.800 7.800 7.741 0.059 17717 5538 1 6 . 1 1 106 106 LYS N N 106 117.960 117.960 121.161 -3.201 17717 5539 1 6 . 1 1 106 106 LYS HA H 106 4.093 4.093 4.078 0.015 17717 5540 1 6 . 1 1 106 106 LYS CA C 106 57.860 57.860 59.586 -1.726 17717 5541 1 6 . 1 1 106 106 LYS CB C 106 32.080 32.080 31.914 0.166 17717 5542 1 6 . 1 1 106 106 LYS H H 106 7.740 7.740 8.033 -0.293 17717 5543 1 6 . 1 1 107 107 TRP N N 107 119.320 119.320 118.618 0.702 17717 5544 1 6 . 1 1 107 107 TRP HA H 107 4.310 4.310 4.234 0.076 17717 5545 1 6 . 1 1 107 107 TRP CA C 107 54.900 54.900 60.324 -5.424 17717 5546 1 6 . 1 1 107 107 TRP CB C 107 28.400 28.400 29.315 -0.915 17717 5547 1 6 . 1 1 107 107 TRP H H 107 8.390 8.390 7.763 0.627 17717 5548 1 6 . 1 1 108 108 LYS N N 108 120.390 120.390 119.420 0.970 17717 5549 1 6 . 1 1 108 108 LYS HA H 108 4.350 4.350 3.813 0.537 17717 5550 1 6 . 1 1 108 108 LYS CA C 108 58.170 58.170 58.269 -0.099 17717 5551 1 6 . 1 1 108 108 LYS CB C 108 30.250 30.250 32.099 -1.849 17717 5552 1 6 . 1 1 108 108 LYS H H 108 7.420 7.420 7.890 -0.470 17717 5553 1 6 . 1 1 109 109 GLU N N 109 120.220 120.220 120.007 0.213 17717 5554 1 6 . 1 1 109 109 GLU HA H 109 3.922 3.922 4.023 -0.101 17717 5555 1 6 . 1 1 109 109 GLU CA C 109 58.230 58.230 59.124 -0.894 17717 5556 1 6 . 1 1 109 109 GLU CB C 109 29.230 29.230 29.494 -0.264 17717 5557 1 6 . 1 1 109 109 GLU H H 109 7.800 7.800 7.559 0.241 17717 5558 1 6 . 1 1 110 110 ASP N N 110 121.678 121.678 119.837 1.841 17717 5559 1 6 . 1 1 110 110 ASP HA H 110 4.096 4.096 4.211 -0.115 17717 5560 1 6 . 1 1 110 110 ASP CA C 110 57.514 57.514 57.258 0.256 17717 5561 1 6 . 1 1 110 110 ASP CB C 110 40.005 40.005 40.522 -0.517 17717 5562 1 6 . 1 1 110 110 ASP H H 110 8.220 8.220 8.405 -0.185 17717 5563 1 6 . 1 1 111 111 VAL N N 111 123.537 123.537 117.897 5.640 17717 5564 1 6 . 1 1 111 111 VAL CA C 111 66.380 66.380 66.026 0.354 17717 5565 1 6 . 1 1 111 111 VAL CB C 111 30.800 30.800 30.945 -0.145 17717 5566 1 6 . 1 1 111 111 VAL H H 111 9.170 9.170 7.206 1.964 17717 5567 1 6 . 1 1 112 112 GLU N N 112 120.200 120.200 120.744 -0.544 17717 5568 1 6 . 1 1 112 112 GLU HA H 112 4.179 4.179 3.978 0.201 17717 5569 1 6 . 1 1 112 112 GLU CA C 112 58.431 58.431 59.475 -1.044 17717 5570 1 6 . 1 1 112 112 GLU CB C 112 27.878 27.878 29.506 -1.627 17717 5571 1 6 . 1 1 112 112 GLU H H 112 7.540 7.540 7.540 0.000 17717 5572 1 6 . 1 1 113 113 LEU N N 113 120.815 120.815 118.311 2.504 17717 5573 1 6 . 1 1 113 113 LEU HA H 113 4.439 4.439 3.810 0.629 17717 5574 1 6 . 1 1 113 113 LEU CA C 113 53.800 53.800 57.659 -3.859 17717 5575 1 6 . 1 1 113 113 LEU CB C 113 41.060 41.060 40.697 0.363 17717 5576 1 6 . 1 1 113 113 LEU H H 113 7.900 7.900 7.477 0.423 17717 5577 1 6 . 1 1 114 114 TYR N N 114 120.920 120.920 120.494 0.426 17717 5578 1 6 . 1 1 114 114 TYR HA H 114 4.520 4.520 4.031 0.489 17717 5579 1 6 . 1 1 114 114 TYR CA C 114 56.942 56.942 61.646 -4.704 17717 5580 1 6 . 1 1 114 114 TYR CB C 114 37.834 37.834 38.489 -0.655 17717 5581 1 6 . 1 1 114 114 TYR H H 114 8.370 8.370 8.150 0.220 17717 5582 1 6 . 1 1 115 115 ARG N N 115 118.260 118.260 117.513 0.747 17717 5583 1 6 . 1 1 115 115 ARG HA H 115 4.820 4.820 3.763 1.057 17717 5584 1 6 . 1 1 115 115 ARG CA C 115 55.700 55.700 59.386 -3.686 17717 5585 1 6 . 1 1 115 115 ARG CB C 115 30.600 30.600 29.495 1.105 17717 5586 1 6 . 1 1 115 115 ARG H H 115 7.630 7.630 7.878 -0.248 17717 5587 1 6 . 1 1 116 116 GLN N N 116 116.670 116.670 117.022 -0.352 17717 5588 1 6 . 1 1 116 116 GLN HA H 116 4.480 4.480 4.044 0.436 17717 5589 1 6 . 1 1 116 116 GLN CA C 116 57.100 57.100 58.014 -0.914 17717 5590 1 6 . 1 1 116 116 GLN CB C 116 28.060 28.060 28.282 -0.222 17717 5591 1 6 . 1 1 116 116 GLN H H 116 7.980 7.980 7.292 0.688 17717 5592 1 6 . 1 1 117 117 LYS N N 117 119.200 119.200 120.100 -0.900 17717 5593 1 6 . 1 1 117 117 LYS HA H 117 4.211 4.211 3.854 0.357 17717 5594 1 6 . 1 1 117 117 LYS CA C 117 56.700 56.700 58.407 -1.707 17717 5595 1 6 . 1 1 117 117 LYS CB C 117 32.100 32.100 31.531 0.569 17717 5596 1 6 . 1 1 117 117 LYS H H 117 7.780 7.780 7.418 0.362 17717 5597 1 6 . 1 1 118 118 ALA N N 118 122.740 122.740 119.833 2.907 17717 5598 1 6 . 1 1 118 118 ALA HA H 118 4.179 4.179 3.757 0.422 17717 5599 1 6 . 1 1 118 118 ALA CA C 118 52.100 52.100 53.328 -1.228 17717 5600 1 6 . 1 1 118 118 ALA CB C 118 18.100 18.100 18.305 -0.204 17717 5601 1 6 . 1 1 118 118 ALA H H 118 8.100 8.100 7.721 0.379 17717 5602 1 6 . 1 1 119 119 SER N N 119 115.840 115.840 114.634 1.206 17717 5603 1 6 . 1 1 119 119 SER HA H 119 4.210 4.210 4.782 -0.572 17717 5604 1 6 . 1 1 119 119 SER CA C 119 55.900 55.900 54.596 1.304 17717 5605 1 6 . 1 1 119 119 SER CB C 119 62.900 62.900 63.872 -0.972 17717 5606 1 6 . 1 1 119 119 SER H H 119 7.800 7.800 7.409 0.391 17717 5607 1 6 . 1 1 120 120 PRO CA C 120 63.074 63.074 62.965 0.109 17717 5608 1 6 . 1 1 120 120 PRO CB C 120 31.408 31.408 32.071 -0.663 17717 5609 1 6 . 1 1 121 121 GLN N N 121 120.800 120.800 126.940 -6.140 17717 5610 1 6 . 1 1 121 121 GLN HA H 121 4.350 4.350 4.035 0.315 17717 5611 1 6 . 1 1 121 121 GLN CA C 121 55.800 55.800 58.848 -3.048 17717 5612 1 6 . 1 1 121 121 GLN CB C 121 28.300 28.300 27.689 0.611 17717 5613 1 6 . 1 1 121 121 GLN H H 121 8.450 8.450 8.648 -0.198 17717 5614 1 6 . 1 1 122 122 GLY N N 122 109.991 109.991 107.413 2.578 17717 5615 1 6 . 1 1 122 122 GLY CA C 122 44.500 44.500 46.642 -2.142 17717 5616 1 6 . 1 1 122 122 GLY H H 122 8.380 8.380 8.860 -0.480 17717 5617 1 6 . 1 1 123 123 ALA N N 123 124.866 124.866 125.235 -0.369 17717 5618 1 6 . 1 1 123 123 ALA HA H 123 4.280 4.280 4.360 -0.080 17717 5619 1 6 . 1 1 123 123 ALA CA C 123 52.440 52.440 54.950 -2.510 17717 5620 1 6 . 1 1 123 123 ALA CB C 123 18.530 18.530 18.718 -0.188 17717 5621 1 6 . 1 1 123 123 ALA H H 123 8.200 8.200 8.095 0.105 17717 5622 1 6 . 1 1 124 124 GLU N N 124 120.000 120.000 118.166 1.834 17717 5623 1 6 . 1 1 124 124 GLU HA H 124 4.265 4.265 4.142 0.123 17717 5624 1 6 . 1 1 124 124 GLU CA C 124 56.533 56.533 58.435 -1.902 17717 5625 1 6 . 1 1 124 124 GLU CB C 124 29.150 29.150 29.312 -0.162 17717 5626 1 6 . 1 1 124 124 GLU H H 124 8.510 8.510 7.665 0.845 17717 5627 1 6 . 1 1 125 125 LEU N N 125 122.740 122.740 122.724 0.016 17717 5628 1 6 . 1 1 125 125 LEU HA H 125 4.222 4.222 4.067 0.155 17717 5629 1 6 . 1 1 125 125 LEU CA C 125 55.600 55.600 58.324 -2.724 17717 5630 1 6 . 1 1 125 125 LEU CB C 125 41.500 41.500 41.502 -0.002 17717 5631 1 6 . 1 1 125 125 LEU H H 125 8.110 8.110 8.788 -0.678 17717 5632 1 6 . 1 1 126 126 GLN N N 126 120.616 120.616 116.629 3.987 17717 5633 1 6 . 1 1 126 126 GLN HA H 126 4.140 4.140 4.055 0.085 17717 5634 1 6 . 1 1 126 126 GLN CA C 126 56.600 56.600 58.415 -1.815 17717 5635 1 6 . 1 1 126 126 GLN CB C 126 28.200 28.200 28.134 0.066 17717 5636 1 6 . 1 1 126 126 GLN H H 126 8.190 8.190 8.181 0.009 17717 5637 1 6 . 1 1 127 127 GLU N N 127 121.221 121.221 121.317 -0.096 17717 5638 1 6 . 1 1 127 127 GLU HA H 127 4.480 4.480 4.139 0.341 17717 5639 1 6 . 1 1 127 127 GLU CA C 127 57.800 57.800 58.880 -1.080 17717 5640 1 6 . 1 1 127 127 GLU CB C 127 28.000 28.000 29.217 -1.217 17717 5641 1 6 . 1 1 127 127 GLU H H 127 8.130 8.130 7.750 0.380 17717 5642 1 6 . 1 1 128 128 SER N N 128 117.960 117.960 116.650 1.310 17717 5643 1 6 . 1 1 128 128 SER HA H 128 4.140 4.140 4.276 -0.136 17717 5644 1 6 . 1 1 128 128 SER CA C 128 57.800 57.800 61.646 -3.846 17717 5645 1 6 . 1 1 128 128 SER CB C 128 63.860 63.860 63.288 0.572 17717 5646 1 6 . 1 1 128 128 SER H H 128 8.580 8.580 8.533 0.047 17717 5647 1 6 . 1 1 129 129 ALA N N 129 132.300 132.300 123.300 9.000 17717 5648 1 6 . 1 1 129 129 ALA CA C 129 53.505 53.505 54.153 -0.648 17717 5649 1 6 . 1 1 129 129 ALA CB C 129 18.600 18.600 18.682 -0.082 17717 5650 1 6 . 1 1 129 129 ALA H H 129 7.980 7.980 7.821 0.159 17717 5651 1 6 . 1 1 130 130 ARG N N 130 119.553 119.553 116.625 2.928 17717 5652 1 6 . 1 1 130 130 ARG HA H 130 4.274 4.274 4.577 -0.303 17717 5653 1 6 . 1 1 130 130 ARG CA C 130 55.300 55.300 55.823 -0.523 17717 5654 1 6 . 1 1 130 130 ARG CB C 130 31.600 31.600 30.848 0.753 17717 5655 1 6 . 1 1 130 130 ARG H H 130 8.150 8.150 7.524 0.626 17717 5656 1 6 . 1 1 131 131 GLN N N 131 117.960 117.960 119.704 -1.744 17717 5657 1 6 . 1 1 131 131 GLN HA H 131 4.350 4.350 4.465 -0.115 17717 5658 1 6 . 1 1 131 131 GLN CA C 131 56.066 56.066 56.596 -0.530 17717 5659 1 6 . 1 1 131 131 GLN CB C 131 29.000 29.000 29.203 -0.203 17717 5660 1 6 . 1 1 131 131 GLN H H 131 7.880 7.880 7.480 0.400 17717 5661 1 6 . 1 1 132 132 LYS N N 132 121.357 121.357 121.560 -0.203 17717 5662 1 6 . 1 1 132 132 LYS HA H 132 4.136 4.136 4.452 -0.316 17717 5663 1 6 . 1 1 132 132 LYS CA C 132 56.800 56.800 56.652 0.148 17717 5664 1 6 . 1 1 132 132 LYS CB C 132 31.100 31.100 32.188 -1.088 17717 5665 1 6 . 1 1 132 132 LYS H H 132 7.892 7.892 8.457 -0.566 17717 5666 1 6 . 1 1 133 133 LEU N N 133 120.620 120.620 118.844 1.776 17717 5667 1 6 . 1 1 133 133 LEU HA H 133 4.480 4.480 4.608 -0.128 17717 5668 1 6 . 1 1 133 133 LEU CA C 133 53.900 53.900 53.473 0.427 17717 5669 1 6 . 1 1 133 133 LEU CB C 133 41.230 41.230 43.764 -2.534 17717 5670 1 6 . 1 1 133 133 LEU H H 133 8.320 8.320 7.548 0.772 17717 5671 1 6 . 1 1 134 134 GLN N N 134 121.147 121.147 120.522 0.625 17717 5672 1 6 . 1 1 134 134 GLN HA H 134 4.222 4.222 4.571 -0.349 17717 5673 1 6 . 1 1 134 134 GLN CA C 134 56.146 56.146 55.355 0.791 17717 5674 1 6 . 1 1 134 134 GLN CB C 134 31.813 31.813 30.251 1.562 17717 5675 1 6 . 1 1 134 134 GLN H H 134 7.870 7.870 8.348 -0.478 17717 5676 1 6 . 1 1 135 135 GLU N N 135 121.678 121.678 120.125 1.553 17717 5677 1 6 . 1 1 135 135 GLU HA H 135 4.136 4.136 4.105 0.031 17717 5678 1 6 . 1 1 135 135 GLU CA C 135 55.904 55.904 57.173 -1.269 17717 5679 1 6 . 1 1 135 135 GLU CB C 135 28.953 28.953 29.178 -0.225 17717 5680 1 6 . 1 1 135 135 GLU H H 135 7.892 7.892 8.722 -0.830 17717 5681 1 6 . 1 1 136 136 LEU N N 136 121.357 121.357 123.689 -2.332 17717 5682 1 6 . 1 1 136 136 LEU HA H 136 4.351 4.351 4.519 -0.168 17717 5683 1 6 . 1 1 136 136 LEU CA C 136 54.765 54.765 54.187 0.578 17717 5684 1 6 . 1 1 136 136 LEU CB C 136 41.823 41.823 44.067 -2.244 17717 5685 1 6 . 1 1 136 136 LEU H H 136 7.962 7.962 7.929 0.033 17717 5686 1 6 . 1 1 137 137 GLN N N 137 124.866 124.866 120.389 4.477 17717 5687 1 6 . 1 1 137 137 GLN HA H 137 4.222 4.222 4.245 -0.023 17717 5688 1 6 . 1 1 137 137 GLN CA C 137 56.300 56.300 56.090 0.210 17717 5689 1 6 . 1 1 137 137 GLN CB C 137 28.000 28.000 29.602 -1.603 17717 5690 1 6 . 1 1 137 137 GLN H H 137 7.938 7.938 8.265 -0.327 17717 5691 1 6 . 1 1 138 138 GLY N N 138 111.054 111.054 112.889 -1.835 17717 5692 1 6 . 1 1 138 138 GLY CA C 138 44.800 44.800 46.036 -1.236 17717 5693 1 6 . 1 1 138 138 GLY H H 138 8.410 8.410 8.646 -0.236 17717 5694 1 6 . 1 1 139 139 ARG N N 139 116.366 116.366 118.233 -1.867 17717 5695 1 6 . 1 1 139 139 ARG HA H 139 4.230 4.230 4.291 -0.061 17717 5696 1 6 . 1 1 139 139 ARG CA C 139 56.300 56.300 55.812 0.488 17717 5697 1 6 . 1 1 139 139 ARG CB C 139 28.700 28.700 30.801 -2.101 17717 5698 1 6 . 1 1 139 139 ARG H H 139 8.080 8.080 7.966 0.114 17717 5699 1 6 . 1 1 140 140 LEU N N 140 126.460 126.460 121.634 4.826 17717 5700 1 6 . 1 1 140 140 LEU HA H 140 4.220 4.220 4.109 0.111 17717 5701 1 6 . 1 1 140 140 LEU CA C 140 56.500 56.500 56.129 0.371 17717 5702 1 6 . 1 1 140 140 LEU CB C 140 41.496 41.496 41.387 0.109 17717 5703 1 6 . 1 1 140 140 LEU H H 140 7.740 7.740 8.434 -0.694 17717 5704 1 6 . 1 1 141 141 SER N N 141 119.190 119.190 114.422 4.768 17717 5705 1 6 . 1 1 141 141 SER HA H 141 4.390 4.390 4.559 -0.169 17717 5706 1 6 . 1 1 141 141 SER CA C 141 56.384 56.384 57.148 -0.764 17717 5707 1 6 . 1 1 141 141 SER CB C 141 62.996 62.996 64.591 -1.595 17717 5708 1 6 . 1 1 141 141 SER H H 141 8.430 8.430 7.791 0.639 17717 5709 1 6 . 1 1 142 142 PRO CA C 142 64.840 64.840 64.529 0.311 17717 5710 1 6 . 1 1 142 142 PRO CB C 142 31.345 31.345 31.570 -0.225 17717 5711 1 6 . 1 1 143 143 VAL N N 143 116.900 116.900 115.791 1.109 17717 5712 1 6 . 1 1 143 143 VAL HA H 143 4.100 4.100 4.464 -0.364 17717 5713 1 6 . 1 1 143 143 VAL CA C 143 63.800 63.800 63.513 0.287 17717 5714 1 6 . 1 1 143 143 VAL CB C 143 31.400 31.400 30.668 0.732 17717 5715 1 6 . 1 1 143 143 VAL H H 143 7.780 7.780 7.753 0.027 17717 5716 1 6 . 1 1 144 144 ALA N N 144 125.700 125.700 121.710 3.990 17717 5717 1 6 . 1 1 144 144 ALA HA H 144 4.390 4.390 4.011 0.379 17717 5718 1 6 . 1 1 144 144 ALA CA C 144 54.200 54.200 55.110 -0.910 17717 5719 1 6 . 1 1 144 144 ALA CB C 144 18.361 18.361 18.128 0.233 17717 5720 1 6 . 1 1 144 144 ALA H H 144 7.970 7.970 7.587 0.383 17717 5721 1 6 . 1 1 145 145 GLU N N 145 120.000 120.000 118.160 1.840 17717 5722 1 6 . 1 1 145 145 GLU HA H 145 3.920 3.920 4.008 -0.088 17717 5723 1 6 . 1 1 145 145 GLU CA C 145 59.400 59.400 59.477 -0.077 17717 5724 1 6 . 1 1 145 145 GLU CB C 145 28.400 28.400 28.975 -0.575 17717 5725 1 6 . 1 1 145 145 GLU H H 145 8.600 8.600 7.839 0.761 17717 5726 1 6 . 1 1 146 146 GLU N N 146 119.022 119.022 120.050 -1.028 17717 5727 1 6 . 1 1 146 146 GLU HA H 146 4.050 4.050 4.132 -0.082 17717 5728 1 6 . 1 1 146 146 GLU CA C 146 58.422 58.422 59.032 -0.610 17717 5729 1 6 . 1 1 146 146 GLU CB C 146 28.172 28.172 29.349 -1.177 17717 5730 1 6 . 1 1 146 146 GLU H H 146 8.070 8.070 7.674 0.396 17717 5731 1 6 . 1 1 147 147 PHE N N 147 117.023 117.023 120.662 -3.639 17717 5732 1 6 . 1 1 147 147 PHE HA H 147 4.523 4.523 4.119 0.404 17717 5733 1 6 . 1 1 147 147 PHE CA C 147 58.592 58.592 61.889 -3.297 17717 5734 1 6 . 1 1 147 147 PHE CB C 147 40.344 40.344 39.409 0.935 17717 5735 1 6 . 1 1 147 147 PHE H H 147 8.161 8.161 8.105 0.056 17717 5736 1 6 . 1 1 148 148 ARG N N 148 120.085 120.085 119.090 0.995 17717 5737 1 6 . 1 1 148 148 ARG HA H 148 4.136 4.136 3.905 0.231 17717 5738 1 6 . 1 1 148 148 ARG CA C 148 57.700 57.700 59.891 -2.191 17717 5739 1 6 . 1 1 148 148 ARG CB C 148 30.400 30.400 29.924 0.475 17717 5740 1 6 . 1 1 148 148 ARG H H 148 8.325 8.325 8.470 -0.145 17717 5741 1 6 . 1 1 149 149 ASP N N 149 118.530 118.530 117.792 0.738 17717 5742 1 6 . 1 1 149 149 ASP HA H 149 4.310 4.310 4.471 -0.161 17717 5743 1 6 . 1 1 149 149 ASP CA C 149 54.600 54.600 56.903 -2.303 17717 5744 1 6 . 1 1 149 149 ASP CB C 149 41.000 41.000 40.747 0.253 17717 5745 1 6 . 1 1 149 149 ASP H H 149 8.270 8.270 7.748 0.522 17717 5746 1 6 . 1 1 150 150 ARG N N 150 126.460 126.460 119.520 6.940 17717 5747 1 6 . 1 1 150 150 ARG HA H 150 4.180 4.180 4.031 0.149 17717 5748 1 6 . 1 1 150 150 ARG CA C 150 56.850 56.850 58.077 -1.227 17717 5749 1 6 . 1 1 150 150 ARG CB C 150 30.451 30.451 29.707 0.744 17717 5750 1 6 . 1 1 150 150 ARG H H 150 7.860 7.860 8.064 -0.204 17717 5751 1 6 . 1 1 152 152 ARG CA C 152 55.764 55.764 60.125 -4.361 17717 5752 1 6 . 1 1 152 152 ARG CB C 152 30.014 30.014 30.182 -0.168 17717 5753 1 6 . 1 1 153 153 THR N N 153 115.832 115.832 114.860 0.972 17717 5754 1 6 . 1 1 153 153 THR HA H 153 4.350 4.350 4.092 0.258 17717 5755 1 6 . 1 1 153 153 THR CA C 153 61.200 61.200 66.344 -5.144 17717 5756 1 6 . 1 1 153 153 THR CB C 153 69.400 69.400 68.323 1.077 17717 5757 1 6 . 1 1 153 153 THR H H 153 8.170 8.170 8.013 0.157 17717 5758 1 6 . 1 1 154 154 HIS N N 154 129.120 129.120 122.709 6.411 17717 5759 1 6 . 1 1 154 154 HIS HA H 154 4.650 4.650 4.206 0.444 17717 5760 1 6 . 1 1 154 154 HIS CA C 154 56.800 56.800 58.770 -1.970 17717 5761 1 6 . 1 1 154 154 HIS CB C 154 30.400 30.400 29.330 1.070 17717 5762 1 6 . 1 1 154 154 HIS H H 154 7.950 7.950 7.914 0.036 17717 5763 1 6 . 1 1 155 155 VAL N N 155 120.620 120.620 117.779 2.841 17717 5764 1 6 . 1 1 155 155 VAL HA H 155 4.012 4.012 3.377 0.635 17717 5765 1 6 . 1 1 155 155 VAL CA C 155 62.300 62.300 65.967 -3.667 17717 5766 1 6 . 1 1 155 155 VAL CB C 155 31.600 31.600 30.497 1.103 17717 5767 1 6 . 1 1 155 155 VAL H H 155 7.910 7.910 7.269 0.641 17717 5768 1 6 . 1 1 156 156 ASP N N 156 121.147 121.147 120.966 0.181 17717 5769 1 6 . 1 1 156 156 ASP HA H 156 4.440 4.440 4.295 0.145 17717 5770 1 6 . 1 1 156 156 ASP CA C 156 57.384 57.384 57.435 -0.051 17717 5771 1 6 . 1 1 156 156 ASP CB C 156 40.140 40.140 40.706 -0.566 17717 5772 1 6 . 1 1 156 156 ASP H H 156 8.100 8.100 8.366 -0.266 17717 5773 1 6 . 1 1 157 157 SER N N 157 116.366 116.366 116.306 0.060 17717 5774 1 6 . 1 1 157 157 SER HA H 157 4.220 4.220 4.176 0.044 17717 5775 1 6 . 1 1 157 157 SER CA C 157 61.500 61.500 61.547 -0.047 17717 5776 1 6 . 1 1 157 157 SER CB C 157 62.500 62.500 62.981 -0.481 17717 5777 1 6 . 1 1 157 157 SER H H 157 8.700 8.700 7.851 0.849 17717 5778 1 6 . 1 1 158 158 LEU N N 158 123.272 123.272 123.190 0.082 17717 5779 1 6 . 1 1 158 158 LEU HA H 158 4.520 4.520 4.041 0.479 17717 5780 1 6 . 1 1 158 158 LEU CA C 158 57.140 57.140 58.243 -1.103 17717 5781 1 6 . 1 1 158 158 LEU CB C 158 40.900 40.900 41.827 -0.927 17717 5782 1 6 . 1 1 158 158 LEU H H 158 7.790 7.790 7.785 0.005 17717 5783 1 6 . 1 1 159 159 ARG N N 159 119.553 119.553 116.609 2.944 17717 5784 1 6 . 1 1 159 159 ARG HA H 159 4.530 4.530 4.082 0.449 17717 5785 1 6 . 1 1 159 159 ARG CA C 159 56.800 56.800 59.292 -2.492 17717 5786 1 6 . 1 1 159 159 ARG CB C 159 29.000 29.000 30.236 -1.236 17717 5787 1 6 . 1 1 159 159 ARG H H 159 8.650 8.650 8.062 0.588 17717 5788 1 6 . 1 1 160 160 THR N N 160 115.304 115.304 114.384 0.920 17717 5789 1 6 . 1 1 160 160 THR HA H 160 3.880 3.880 4.102 -0.222 17717 5790 1 6 . 1 1 160 160 THR CA C 160 65.300 65.300 66.038 -0.738 17717 5791 1 6 . 1 1 160 160 THR CB C 160 68.900 68.900 68.295 0.605 17717 5792 1 6 . 1 1 160 160 THR H H 160 8.100 8.100 7.338 0.762 17717 5793 1 6 . 1 1 161 161 GLN N N 161 122.440 122.440 117.765 4.675 17717 5794 1 6 . 1 1 161 161 GLN HA H 161 4.220 4.220 4.489 -0.269 17717 5795 1 6 . 1 1 161 161 GLN CA C 161 56.900 56.900 57.489 -0.589 17717 5796 1 6 . 1 1 161 161 GLN CB C 161 26.160 26.160 28.959 -2.799 17717 5797 1 6 . 1 1 161 161 GLN H H 161 8.070 8.070 7.825 0.245 17717 5798 1 6 . 1 1 162 162 LEU N N 162 115.398 115.398 120.855 -5.457 17717 5799 1 6 . 1 1 162 162 LEU HA H 162 4.220 4.220 4.396 -0.176 17717 5800 1 6 . 1 1 162 162 LEU CA C 162 56.500 56.500 56.089 0.411 17717 5801 1 6 . 1 1 162 162 LEU CB C 162 41.000 41.000 40.457 0.543 17717 5802 1 6 . 1 1 162 162 LEU H H 162 7.980 7.980 7.781 0.199 17717 5803 1 6 . 1 1 163 163 ALA N N 163 122.210 122.210 123.022 -0.812 17717 5804 1 6 . 1 1 163 163 ALA HA H 163 4.260 4.260 4.145 0.115 17717 5805 1 6 . 1 1 163 163 ALA CA C 163 56.560 56.560 57.162 -0.602 17717 5806 1 6 . 1 1 163 163 ALA CB C 163 15.000 15.000 16.242 -1.242 17717 5807 1 6 . 1 1 163 163 ALA H H 163 7.460 7.460 8.348 -0.888 17717 5808 1 6 . 1 1 164 164 PRO CA C 164 62.800 62.800 65.511 -2.711 17717 5809 1 6 . 1 1 164 164 PRO CB C 164 31.500 31.500 31.402 0.098 17717 5810 1 6 . 1 1 165 165 HIS N N 165 120.080 120.080 118.054 2.026 17717 5811 1 6 . 1 1 165 165 HIS HA H 165 4.390 4.390 4.296 0.094 17717 5812 1 6 . 1 1 165 165 HIS CA C 165 56.000 56.000 60.244 -4.244 17717 5813 1 6 . 1 1 165 165 HIS CB C 165 28.400 28.400 29.540 -1.139 17717 5814 1 6 . 1 1 165 165 HIS H H 165 8.060 8.060 7.994 0.066 17717 5815 1 6 . 1 1 166 166 SER N N 166 116.366 116.366 114.916 1.450 17717 5816 1 6 . 1 1 166 166 SER HA H 166 4.300 4.300 4.222 0.078 17717 5817 1 6 . 1 1 166 166 SER CA C 166 61.200 61.200 61.869 -0.669 17717 5818 1 6 . 1 1 166 166 SER CB C 166 63.000 63.000 63.206 -0.206 17717 5819 1 6 . 1 1 166 166 SER H H 166 8.040 8.040 8.488 -0.448 17717 5820 1 6 . 1 1 167 167 GLU N N 167 121.678 121.678 121.118 0.560 17717 5821 1 6 . 1 1 167 167 GLU HA H 167 3.922 3.922 4.093 -0.171 17717 5822 1 6 . 1 1 167 167 GLU CA C 167 62.800 62.800 59.293 3.507 17717 5823 1 6 . 1 1 167 167 GLU CB C 167 31.100 31.100 29.470 1.630 17717 5824 1 6 . 1 1 167 167 GLU H H 167 7.760 7.760 7.803 -0.043 17717 5825 1 6 . 1 1 168 168 GLN N N 168 121.147 121.147 119.650 1.497 17717 5826 1 6 . 1 1 168 168 GLN HA H 168 4.320 4.320 4.035 0.285 17717 5827 1 6 . 1 1 168 168 GLN CA C 168 55.300 55.300 59.200 -3.900 17717 5828 1 6 . 1 1 168 168 GLN CB C 168 28.200 28.200 28.961 -0.761 17717 5829 1 6 . 1 1 168 168 GLN H H 168 8.450 8.450 8.585 -0.135 17717 5830 1 6 . 1 1 170 170 ARG CA C 170 58.370 58.370 59.343 -0.973 17717 5831 1 6 . 1 1 170 170 ARG CB C 170 28.900 28.900 29.906 -1.006 17717 5832 1 6 . 1 1 171 171 GLU N N 171 117.960 117.960 119.446 -1.486 17717 5833 1 6 . 1 1 171 171 GLU HA H 171 4.140 4.140 4.228 -0.088 17717 5834 1 6 . 1 1 171 171 GLU CA C 171 57.300 57.300 59.151 -1.851 17717 5835 1 6 . 1 1 171 171 GLU CB C 171 29.200 29.200 29.457 -0.257 17717 5836 1 6 . 1 1 171 171 GLU H H 171 7.730 7.730 7.902 -0.172 17717 5837 1 6 . 1 1 172 172 SER N N 172 116.366 116.366 117.559 -1.193 17717 5838 1 6 . 1 1 172 172 SER HA H 172 4.270 4.270 4.156 0.114 17717 5839 1 6 . 1 1 172 172 SER CA C 172 58.000 58.000 62.364 -4.364 17717 5840 1 6 . 1 1 172 172 SER CB C 172 63.000 63.000 63.069 -0.069 17717 5841 1 6 . 1 1 172 172 SER H H 172 8.320 8.320 8.741 -0.421 17717 5842 1 6 . 1 1 173 173 LEU N N 173 124.866 124.866 120.731 4.135 17717 5843 1 6 . 1 1 173 173 LEU HA H 173 4.352 4.352 4.069 0.283 17717 5844 1 6 . 1 1 173 173 LEU CA C 173 54.540 54.540 57.644 -3.104 17717 5845 1 6 . 1 1 173 173 LEU CB C 173 41.400 41.400 41.496 -0.096 17717 5846 1 6 . 1 1 173 173 LEU H H 173 8.260 8.260 7.833 0.427 17717 5847 1 6 . 1 1 174 174 ALA N N 174 126.460 126.460 121.557 4.903 17717 5848 1 6 . 1 1 174 174 ALA HA H 174 4.270 4.270 3.806 0.464 17717 5849 1 6 . 1 1 174 174 ALA CA C 174 55.400 55.400 54.776 0.624 17717 5850 1 6 . 1 1 174 174 ALA CB C 174 17.200 17.200 18.013 -0.813 17717 5851 1 6 . 1 1 174 174 ALA H H 174 8.210 8.210 7.412 0.798 17717 5852 1 6 . 1 1 175 175 GLN N N 175 117.430 117.430 118.196 -0.766 17717 5853 1 6 . 1 1 175 175 GLN HA H 175 4.060 4.060 3.991 0.069 17717 5854 1 6 . 1 1 175 175 GLN CA C 175 58.600 58.600 58.361 0.239 17717 5855 1 6 . 1 1 175 175 GLN CB C 175 27.400 27.400 28.678 -1.278 17717 5856 1 6 . 1 1 175 175 GLN H H 175 8.450 8.450 7.838 0.613 17717 5857 1 6 . 1 1 176 176 ARG N N 176 119.550 119.550 120.908 -1.358 17717 5858 1 6 . 1 1 176 176 ARG HA H 176 4.180 4.180 3.934 0.246 17717 5859 1 6 . 1 1 176 176 ARG CA C 176 56.900 56.900 59.715 -2.815 17717 5860 1 6 . 1 1 176 176 ARG CB C 176 29.300 29.300 30.153 -0.853 17717 5861 1 6 . 1 1 176 176 ARG H H 176 8.070 8.070 8.177 -0.107 17717 5862 1 6 . 1 1 177 177 LEU N N 177 115.840 115.840 116.253 -0.413 17717 5863 1 6 . 1 1 177 177 LEU HA H 177 4.180 4.180 3.922 0.258 17717 5864 1 6 . 1 1 177 177 LEU CA C 177 56.900 56.900 57.838 -0.938 17717 5865 1 6 . 1 1 177 177 LEU CB C 177 40.100 40.100 40.897 -0.797 17717 5866 1 6 . 1 1 177 177 LEU H H 177 8.330 8.330 7.438 0.892 17717 5867 1 6 . 1 1 178 178 ALA N N 178 121.220 121.220 121.664 -0.444 17717 5868 1 6 . 1 1 178 178 ALA HA H 178 3.880 3.880 3.922 -0.042 17717 5869 1 6 . 1 1 178 178 ALA CA C 178 54.600 54.600 54.683 -0.083 17717 5870 1 6 . 1 1 178 178 ALA CB C 178 16.900 16.900 17.913 -1.014 17717 5871 1 6 . 1 1 178 178 ALA H H 178 8.570 8.570 7.501 1.069 17717 5872 1 6 . 1 1 179 179 GLU N N 179 118.490 118.490 119.981 -1.491 17717 5873 1 6 . 1 1 179 179 GLU HA H 179 4.180 4.180 3.971 0.209 17717 5874 1 6 . 1 1 179 179 GLU CA C 179 56.600 56.600 59.867 -3.267 17717 5875 1 6 . 1 1 179 179 GLU CB C 179 29.000 29.000 29.636 -0.636 17717 5876 1 6 . 1 1 179 179 GLU H H 179 7.680 7.680 7.979 -0.299 17717 5877 1 6 . 1 1 180 180 LEU N N 180 117.730 117.730 117.329 0.401 17717 5878 1 6 . 1 1 180 180 LEU HA H 180 4.265 4.265 4.087 0.178 17717 5879 1 6 . 1 1 180 180 LEU CA C 180 55.020 55.020 57.554 -2.534 17717 5880 1 6 . 1 1 180 180 LEU CB C 180 41.100 41.100 41.522 -0.422 17717 5881 1 6 . 1 1 180 180 LEU H H 180 7.680 7.680 7.329 0.351 17717 5882 1 6 . 1 1 181 181 LYS N N 181 117.400 117.400 119.720 -2.320 17717 5883 1 6 . 1 1 181 181 LYS HA H 181 4.480 4.480 3.824 0.656 17717 5884 1 6 . 1 1 181 181 LYS CA C 181 61.900 61.900 58.642 3.258 17717 5885 1 6 . 1 1 181 181 LYS CB C 181 31.800 31.800 32.602 -0.802 17717 5886 1 6 . 1 1 181 181 LYS H H 181 7.510 7.510 7.767 -0.257 17717 5887 1 6 . 1 1 182 182 SER N N 182 114.010 114.010 112.371 1.639 17717 5888 1 6 . 1 1 182 182 SER HA H 182 4.350 4.350 4.273 0.077 17717 5889 1 6 . 1 1 182 182 SER CA C 182 58.000 58.000 59.172 -1.172 17717 5890 1 6 . 1 1 182 182 SER CB C 182 63.300 63.300 63.995 -0.695 17717 5891 1 6 . 1 1 182 182 SER H H 182 7.920 7.920 7.930 -0.010 17717 5892 1 6 . 1 1 183 183 ASN N N 183 123.040 123.040 118.779 4.261 17717 5893 1 6 . 1 1 183 183 ASN HA H 183 4.310 4.310 4.623 -0.313 17717 5894 1 6 . 1 1 183 183 ASN CA C 183 55.115 55.115 52.939 2.176 17717 5895 1 6 . 1 1 183 183 ASN CB C 183 37.838 37.838 38.227 -0.389 17717 5896 1 6 . 1 1 183 183 ASN H H 183 8.250 8.250 7.811 0.439 17717 5897 1 6 . 1 1 184 184 PRO CA C 184 63.180 63.180 64.532 -1.352 17717 5898 1 6 . 1 1 184 184 PRO CB C 184 31.400 31.400 32.370 -0.970 17717 5899 1 6 . 1 1 185 185 THR N N 185 114.240 114.240 109.494 4.746 17717 5900 1 6 . 1 1 185 185 THR HA H 185 4.270 4.270 4.496 -0.226 17717 5901 1 6 . 1 1 185 185 THR CA C 185 61.200 61.200 61.014 0.186 17717 5902 1 6 . 1 1 185 185 THR CB C 185 69.100 69.100 70.842 -1.742 17717 5903 1 6 . 1 1 185 185 THR H H 185 8.150 8.150 7.516 0.634 17717 5904 1 6 . 1 1 186 186 LEU N N 186 123.270 123.270 117.565 5.705 17717 5905 1 6 . 1 1 186 186 LEU HA H 186 4.350 4.350 4.737 -0.387 17717 5906 1 6 . 1 1 186 186 LEU CA C 186 55.000 55.000 53.430 1.570 17717 5907 1 6 . 1 1 186 186 LEU CB C 186 41.000 41.000 43.687 -2.687 17717 5908 1 6 . 1 1 186 186 LEU H H 186 8.430 8.430 8.225 0.205 17717 5909 1 6 . 1 1 187 187 ASN N N 187 119.020 119.020 116.539 2.481 17717 5910 1 6 . 1 1 187 187 ASN HA H 187 4.530 4.530 4.886 -0.356 17717 5911 1 6 . 1 1 187 187 ASN CA C 187 53.400 53.400 52.400 1.000 17717 5912 1 6 . 1 1 187 187 ASN CB C 187 37.900 37.900 41.058 -3.158 17717 5913 1 6 . 1 1 187 187 ASN H H 187 8.370 8.370 8.451 -0.081 17717 5914 1 6 . 1 1 188 188 GLU N N 188 123.270 123.270 120.440 2.830 17717 5915 1 6 . 1 1 188 188 GLU HA H 188 4.000 4.000 4.353 -0.353 17717 5916 1 6 . 1 1 188 188 GLU CA C 188 61.700 61.700 58.469 3.231 17717 5917 1 6 . 1 1 188 188 GLU CB C 188 32.100 32.100 31.575 0.525 17717 5918 1 6 . 1 1 188 188 GLU H H 188 7.870 7.870 8.724 -0.854 17717 5919 1 6 . 1 1 189 189 TYR N N 189 122.210 122.210 115.172 7.038 17717 5920 1 6 . 1 1 189 189 TYR HA H 189 4.440 4.440 4.642 -0.202 17717 5921 1 6 . 1 1 189 189 TYR CA C 189 57.120 57.120 58.443 -1.323 17717 5922 1 6 . 1 1 189 189 TYR CB C 189 40.000 40.000 39.779 0.222 17717 5923 1 6 . 1 1 189 189 TYR H H 189 8.590 8.590 7.917 0.673 17717 5924 1 6 . 1 1 190 190 HIS N N 190 124.866 124.866 117.236 7.630 17717 5925 1 6 . 1 1 190 190 HIS HA H 190 4.780 4.780 4.111 0.669 17717 5926 1 6 . 1 1 190 190 HIS CA C 190 56.000 56.000 58.220 -2.220 17717 5927 1 6 . 1 1 190 190 HIS CB C 190 29.400 29.400 29.361 0.039 17717 5928 1 6 . 1 1 190 190 HIS H H 190 8.420 8.420 8.549 -0.129 17717 5929 1 6 . 1 1 191 191 SER N N 191 117.429 117.429 113.274 4.155 17717 5930 1 6 . 1 1 191 191 SER HA H 191 4.140 4.140 4.076 0.064 17717 5931 1 6 . 1 1 191 191 SER CA C 191 58.140 58.140 60.992 -2.853 17717 5932 1 6 . 1 1 191 191 SER CB C 191 63.140 63.140 62.370 0.770 17717 5933 1 6 . 1 1 191 191 SER H H 191 8.270 8.270 8.726 -0.456 17717 5934 1 6 . 1 1 192 192 SER N N 192 124.335 124.335 116.487 7.848 17717 5935 1 6 . 1 1 192 192 SER HA H 192 4.730 4.730 4.707 0.023 17717 5936 1 6 . 1 1 192 192 SER CA C 192 59.020 59.020 57.732 1.288 17717 5937 1 6 . 1 1 192 192 SER CB C 192 63.000 63.000 63.792 -0.792 17717 5938 1 6 . 1 1 192 192 SER H H 192 8.010 8.010 8.165 -0.155 17717 5939 1 6 . 1 1 193 193 ALA N N 193 125.930 125.930 122.810 3.120 17717 5940 1 6 . 1 1 193 193 ALA HA H 193 4.310 4.310 4.057 0.253 17717 5941 1 6 . 1 1 193 193 ALA CA C 193 52.300 52.300 53.384 -1.084 17717 5942 1 6 . 1 1 193 193 ALA CB C 193 18.000 18.000 18.268 -0.268 17717 5943 1 6 . 1 1 193 193 ALA H H 193 8.100 8.100 7.977 0.123 17717 5944 1 6 . 1 1 194 194 LYS N N 194 126.460 126.460 117.004 9.456 17717 5945 1 6 . 1 1 194 194 LYS HA H 194 4.220 4.220 4.418 -0.198 17717 5946 1 6 . 1 1 194 194 LYS CA C 194 56.600 56.600 55.903 0.697 17717 5947 1 6 . 1 1 194 194 LYS CB C 194 33.000 33.000 34.905 -1.905 17717 5948 1 6 . 1 1 194 194 LYS H H 194 7.860 7.860 7.474 0.386 17717 5949 1 6 . 1 1 195 195 SER N N 195 117.429 117.429 116.359 1.070 17717 5950 1 6 . 1 1 195 195 SER HA H 195 4.430 4.430 4.208 0.222 17717 5951 1 6 . 1 1 195 195 SER CA C 195 58.499 58.499 58.976 -0.477 17717 5952 1 6 . 1 1 195 195 SER CB C 195 63.129 63.129 61.762 1.367 17717 5953 1 6 . 1 1 195 195 SER H H 195 8.240 8.240 9.064 -0.824 17717 5954 1 6 . 1 1 196 196 HIS N N 196 122.440 122.440 118.643 3.797 17717 5955 1 6 . 1 1 196 196 HIS HA H 196 4.222 4.222 4.227 -0.005 17717 5956 1 6 . 1 1 196 196 HIS CA C 196 55.743 55.743 58.024 -2.281 17717 5957 1 6 . 1 1 196 196 HIS CB C 196 28.566 28.566 29.703 -1.137 17717 5958 1 6 . 1 1 196 196 HIS H H 196 8.044 8.044 8.865 -0.821 17717 5959 1 6 . 1 1 197 197 LEU N N 197 117.429 117.429 119.225 -1.796 17717 5960 1 6 . 1 1 197 197 LEU HA H 197 4.179 4.179 3.756 0.423 17717 5961 1 6 . 1 1 197 197 LEU CA C 197 54.540 54.540 58.131 -3.591 17717 5962 1 6 . 1 1 197 197 LEU CB C 197 40.040 40.040 41.515 -1.475 17717 5963 1 6 . 1 1 197 197 LEU H H 197 8.044 8.044 7.715 0.329 17717 5964 1 6 . 1 1 198 198 LYS N N 198 117.430 117.430 118.720 -1.290 17717 5965 1 6 . 1 1 198 198 LYS HA H 198 4.140 4.140 3.922 0.218 17717 5966 1 6 . 1 1 198 198 LYS CA C 198 57.600 57.600 59.244 -1.644 17717 5967 1 6 . 1 1 198 198 LYS CB C 198 32.000 32.000 31.733 0.267 17717 5968 1 6 . 1 1 198 198 LYS H H 198 7.510 7.510 7.519 -0.009 17717 5969 1 6 . 1 1 199 199 SER N N 199 114.315 114.315 115.151 -0.836 17717 5970 1 6 . 1 1 199 199 SER HA H 199 4.310 4.310 4.188 0.122 17717 5971 1 6 . 1 1 199 199 SER CA C 199 62.000 62.000 61.386 0.614 17717 5972 1 6 . 1 1 199 199 SER CB C 199 63.600 63.600 63.080 0.520 17717 5973 1 6 . 1 1 199 199 SER H H 199 7.930 7.930 8.163 -0.233 17717 5974 1 6 . 1 1 200 200 LEU N N 200 124.335 124.335 122.409 1.926 17717 5975 1 6 . 1 1 200 200 LEU HA H 200 4.260 4.260 4.264 -0.004 17717 5976 1 6 . 1 1 200 200 LEU CA C 200 55.200 55.200 57.271 -2.071 17717 5977 1 6 . 1 1 200 200 LEU CB C 200 41.200 41.200 41.779 -0.579 17717 5978 1 6 . 1 1 200 200 LEU H H 200 8.170 8.170 7.930 0.240 17717 5979 1 6 . 1 1 201 201 GLY N N 201 109.990 109.990 106.616 3.374 17717 5980 1 6 . 1 1 201 201 GLY CA C 201 44.700 44.700 46.876 -2.176 17717 5981 1 6 . 1 1 201 201 GLY H H 201 8.290 8.290 7.977 0.313 17717 5982 1 6 . 1 1 202 202 GLU N N 202 126.460 126.460 119.010 7.450 17717 5983 1 6 . 1 1 202 202 GLU HA H 202 4.220 4.220 4.232 -0.012 17717 5984 1 6 . 1 1 202 202 GLU CA C 202 56.600 56.600 58.142 -1.542 17717 5985 1 6 . 1 1 202 202 GLU CB C 202 32.800 32.800 29.971 2.829 17717 5986 1 6 . 1 1 202 202 GLU H H 202 7.750 7.750 7.764 -0.014 17717 5987 1 6 . 1 1 203 203 LYS CA C 203 55.775 55.775 54.655 1.120 17717 5988 1 6 . 1 1 203 203 LYS CB C 203 32.283 32.283 32.541 -0.258 17717 5989 1 6 . 1 1 204 204 ALA N N 204 125.390 125.390 120.665 4.725 17717 5990 1 6 . 1 1 204 204 ALA HA H 204 4.310 4.310 4.584 -0.274 17717 5991 1 6 . 1 1 204 204 ALA CA C 204 52.000 52.000 50.481 1.519 17717 5992 1 6 . 1 1 204 204 ALA CB C 204 18.400 18.400 20.773 -2.373 17717 5993 1 6 . 1 1 204 204 ALA H H 204 8.180 8.180 7.138 1.042 17717 5994 1 6 . 1 1 205 205 ARG N N 205 121.150 121.150 118.969 2.181 17717 5995 1 6 . 1 1 205 205 ARG HA H 205 4.270 4.270 4.316 -0.046 17717 5996 1 6 . 1 1 205 205 ARG CA C 205 56.384 56.384 55.681 0.703 17717 5997 1 6 . 1 1 205 205 ARG CB C 205 29.193 29.193 29.887 -0.693 17717 5998 1 6 . 1 1 205 205 ARG H H 205 8.350 8.350 8.471 -0.121 17717 5999 1 6 . 1 1 206 206 PRO CA C 206 62.600 62.600 64.936 -2.336 17717 6000 1 6 . 1 1 206 206 PRO CB C 206 31.400 31.400 31.777 -0.377 17717 6001 1 6 . 1 1 207 207 ALA N N 207 125.400 125.400 119.561 5.839 17717 6002 1 6 . 1 1 207 207 ALA HA H 207 4.308 4.308 4.280 0.028 17717 6003 1 6 . 1 1 207 207 ALA CA C 207 51.700 51.700 53.944 -2.244 17717 6004 1 6 . 1 1 207 207 ALA CB C 207 18.200 18.200 18.556 -0.356 17717 6005 1 6 . 1 1 207 207 ALA H H 207 8.400 8.400 8.033 0.367 17717 6006 1 6 . 1 1 208 208 LEU N N 208 121.680 121.680 118.071 3.609 17717 6007 1 6 . 1 1 208 208 LEU HA H 208 4.480 4.480 4.275 0.205 17717 6008 1 6 . 1 1 208 208 LEU CA C 208 55.100 55.100 55.794 -0.694 17717 6009 1 6 . 1 1 208 208 LEU CB C 208 41.200 41.200 42.006 -0.806 17717 6010 1 6 . 1 1 208 208 LEU H H 208 8.180 8.180 7.627 0.553 17717 6011 1 6 . 1 1 209 209 GLU N N 209 121.147 121.147 120.196 0.951 17717 6012 1 6 . 1 1 209 209 GLU HA H 209 4.180 4.180 4.054 0.126 17717 6013 1 6 . 1 1 209 209 GLU CA C 209 56.477 56.477 59.725 -3.248 17717 6014 1 6 . 1 1 209 209 GLU CB C 209 29.250 29.250 28.831 0.419 17717 6015 1 6 . 1 1 209 209 GLU H H 209 8.380 8.380 7.742 0.638 17717 6016 1 6 . 1 1 210 210 ASP N N 210 121.147 121.147 119.478 1.669 17717 6017 1 6 . 1 1 210 210 ASP HA H 210 4.260 4.260 4.485 -0.225 17717 6018 1 6 . 1 1 210 210 ASP CA C 210 55.000 55.000 57.153 -2.152 17717 6019 1 6 . 1 1 210 210 ASP CB C 210 37.200 37.200 40.981 -3.781 17717 6020 1 6 . 1 1 210 210 ASP H H 210 8.280 8.280 8.062 0.218 17717 6021 1 6 . 1 1 211 211 LEU N N 211 122.210 122.210 117.083 5.127 17717 6022 1 6 . 1 1 211 211 LEU HA H 211 4.220 4.220 4.457 -0.237 17717 6023 1 6 . 1 1 211 211 LEU CA C 211 57.400 57.400 57.255 0.145 17717 6024 1 6 . 1 1 211 211 LEU CB C 211 39.430 39.430 41.463 -2.033 17717 6025 1 6 . 1 1 211 211 LEU H H 211 8.640 8.640 7.554 1.086 17717 6026 1 6 . 1 1 212 212 ARG N N 212 119.550 119.550 119.753 -0.203 17717 6027 1 6 . 1 1 212 212 ARG HA H 212 4.220 4.220 3.988 0.232 17717 6028 1 6 . 1 1 212 212 ARG CA C 212 57.400 57.400 58.723 -1.323 17717 6029 1 6 . 1 1 212 212 ARG CB C 212 29.600 29.600 30.348 -0.748 17717 6030 1 6 . 1 1 212 212 ARG H H 212 7.910 7.910 8.391 -0.481 17717 6031 1 6 . 1 1 213 213 HIS CA C 213 56.200 56.200 58.204 -2.004 17717 6032 1 6 . 1 1 213 213 HIS CB C 213 31.900 31.900 30.393 1.507 17717 6033 1 6 . 1 1 214 214 SER N N 214 116.366 116.366 116.054 0.312 17717 6034 1 6 . 1 1 214 214 SER HA H 214 4.265 4.265 4.312 -0.047 17717 6035 1 6 . 1 1 214 214 SER CA C 214 61.100 61.100 59.839 1.261 17717 6036 1 6 . 1 1 214 214 SER CB C 214 63.100 63.100 62.924 0.176 17717 6037 1 6 . 1 1 214 214 SER H H 214 8.140 8.140 7.770 0.370 17717 6038 1 6 . 1 1 215 215 LEU N N 215 130.565 130.565 125.750 4.815 17717 6039 1 6 . 1 1 215 215 LEU HA H 215 4.730 4.730 4.443 0.287 17717 6040 1 6 . 1 1 215 215 LEU CA C 215 54.900 54.900 54.870 0.030 17717 6041 1 6 . 1 1 215 215 LEU CB C 215 42.000 42.000 44.228 -2.228 17717 6042 1 6 . 1 1 215 215 LEU H H 215 7.890 7.890 8.182 -0.292 17717 6043 1 7 . 1 1 2 2 GLU N N 2 121.678 121.678 121.278 0.400 17717 6044 1 7 . 1 1 2 2 GLU HA H 2 4.488 4.488 4.575 -0.087 17717 6045 1 7 . 1 1 2 2 GLU CA C 2 56.418 56.418 54.905 1.513 17717 6046 1 7 . 1 1 2 2 GLU CB C 2 29.014 29.014 30.998 -1.984 17717 6047 1 7 . 1 1 2 2 GLU H H 2 8.276 8.276 8.339 -0.063 17717 6048 1 7 . 1 1 3 3 PRO CA C 3 62.923 62.923 63.601 -0.678 17717 6049 1 7 . 1 1 3 3 PRO CB C 3 31.547 31.547 32.754 -1.207 17717 6050 1 7 . 1 1 4 4 GLN N N 4 121.147 121.147 122.571 -1.424 17717 6051 1 7 . 1 1 4 4 GLN HA H 4 4.349 4.349 4.592 -0.243 17717 6052 1 7 . 1 1 4 4 GLN CA C 4 55.450 55.450 56.530 -1.080 17717 6053 1 7 . 1 1 4 4 GLN CB C 4 28.854 28.854 30.104 -1.250 17717 6054 1 7 . 1 1 4 4 GLN H H 4 8.500 8.500 9.085 -0.585 17717 6055 1 7 . 1 1 5 5 SER N N 5 117.429 117.429 111.462 5.967 17717 6056 1 7 . 1 1 5 5 SER HA H 5 4.329 4.329 3.617 0.712 17717 6057 1 7 . 1 1 5 5 SER CA C 5 58.100 58.100 57.420 0.680 17717 6058 1 7 . 1 1 5 5 SER CB C 5 63.485 63.485 63.972 -0.487 17717 6059 1 7 . 1 1 5 5 SER H H 5 8.370 8.370 8.009 0.361 17717 6060 1 7 . 1 1 6 6 GLN N N 6 123.803 123.803 120.905 2.898 17717 6061 1 7 . 1 1 6 6 GLN CA C 6 56.330 56.330 58.770 -2.439 17717 6062 1 7 . 1 1 6 6 GLN CB C 6 28.800 28.800 28.881 -0.081 17717 6063 1 7 . 1 1 6 6 GLN H H 6 8.620 8.620 8.569 0.051 17717 6064 1 7 . 1 1 7 7 TRP N N 7 119.022 119.022 118.677 0.345 17717 6065 1 7 . 1 1 7 7 TRP HA H 7 4.394 4.394 4.483 -0.089 17717 6066 1 7 . 1 1 7 7 TRP CA C 7 59.800 59.800 59.847 -0.047 17717 6067 1 7 . 1 1 7 7 TRP CB C 7 27.800 27.800 28.402 -0.603 17717 6068 1 7 . 1 1 7 7 TRP H H 7 7.970 7.970 8.252 -0.282 17717 6069 1 7 . 1 1 8 8 ASP N N 8 121.678 121.678 120.658 1.020 17717 6070 1 7 . 1 1 8 8 ASP HA H 8 4.409 4.409 4.404 0.005 17717 6071 1 7 . 1 1 8 8 ASP CA C 8 56.912 56.912 57.502 -0.590 17717 6072 1 7 . 1 1 8 8 ASP CB C 8 38.400 38.400 39.806 -1.406 17717 6073 1 7 . 1 1 8 8 ASP H H 8 8.440 8.440 7.587 0.853 17717 6074 1 7 . 1 1 9 9 LYS N N 9 120.616 120.616 120.758 -0.142 17717 6075 1 7 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.094 -0.004 17717 6076 1 7 . 1 1 9 9 LYS CA C 9 58.277 58.277 59.296 -1.019 17717 6077 1 7 . 1 1 9 9 LYS CB C 9 31.550 31.550 32.597 -1.047 17717 6078 1 7 . 1 1 9 9 LYS H H 9 7.830 7.830 7.223 0.607 17717 6079 1 7 . 1 1 10 10 VAL N N 10 118.491 118.491 116.167 2.324 17717 6080 1 7 . 1 1 10 10 VAL HA H 10 3.830 3.830 4.244 -0.414 17717 6081 1 7 . 1 1 10 10 VAL CA C 10 65.630 65.630 66.459 -0.829 17717 6082 1 7 . 1 1 10 10 VAL CB C 10 31.300 31.300 31.294 0.006 17717 6083 1 7 . 1 1 10 10 VAL H H 10 7.160 7.160 8.100 -0.940 17717 6084 1 7 . 1 1 11 11 LYS N N 11 122.210 122.210 119.230 2.980 17717 6085 1 7 . 1 1 11 11 LYS HA H 11 3.880 3.880 3.900 -0.020 17717 6086 1 7 . 1 1 11 11 LYS CA C 11 59.460 59.460 59.475 -0.015 17717 6087 1 7 . 1 1 11 11 LYS CB C 11 31.200 31.200 31.979 -0.779 17717 6088 1 7 . 1 1 11 11 LYS H H 11 8.660 8.660 7.625 1.035 17717 6089 1 7 . 1 1 12 12 ASP N N 12 119.553 119.553 120.592 -1.039 17717 6090 1 7 . 1 1 12 12 ASP HA H 12 4.140 4.140 4.560 -0.420 17717 6091 1 7 . 1 1 12 12 ASP CA C 12 57.381 57.381 57.585 -0.204 17717 6092 1 7 . 1 1 12 12 ASP CB C 12 39.800 39.800 41.154 -1.354 17717 6093 1 7 . 1 1 12 12 ASP H H 12 7.790 7.790 7.943 -0.153 17717 6094 1 7 . 1 1 13 13 PHE N N 13 116.500 116.500 118.639 -2.139 17717 6095 1 7 . 1 1 13 13 PHE HA H 13 4.690 4.690 4.227 0.463 17717 6096 1 7 . 1 1 13 13 PHE CA C 13 58.662 58.662 60.270 -1.609 17717 6097 1 7 . 1 1 13 13 PHE CB C 13 38.700 38.700 37.866 0.834 17717 6098 1 7 . 1 1 13 13 PHE H H 13 7.680 7.680 7.713 -0.033 17717 6099 1 7 . 1 1 14 14 ALA N N 14 122.209 122.209 122.532 -0.323 17717 6100 1 7 . 1 1 14 14 ALA HA H 14 4.008 4.008 3.766 0.242 17717 6101 1 7 . 1 1 14 14 ALA CA C 14 54.550 54.550 54.759 -0.209 17717 6102 1 7 . 1 1 14 14 ALA CB C 14 17.250 17.250 18.041 -0.791 17717 6103 1 7 . 1 1 14 14 ALA H H 14 8.760 8.760 7.495 1.265 17717 6104 1 7 . 1 1 15 15 ASN N N 15 119.553 119.553 115.112 4.441 17717 6105 1 7 . 1 1 15 15 ASN HA H 15 4.520 4.520 4.350 0.170 17717 6106 1 7 . 1 1 15 15 ASN CA C 15 56.084 56.084 55.192 0.892 17717 6107 1 7 . 1 1 15 15 ASN CB C 15 38.544 38.544 38.434 0.110 17717 6108 1 7 . 1 1 15 15 ASN H H 15 8.930 8.930 7.586 1.344 17717 6109 1 7 . 1 1 16 16 VAL N N 16 116.897 116.897 122.127 -5.230 17717 6110 1 7 . 1 1 16 16 VAL HA H 16 3.590 3.590 3.538 0.052 17717 6111 1 7 . 1 1 16 16 VAL CA C 16 64.600 64.600 67.505 -2.905 17717 6112 1 7 . 1 1 16 16 VAL CB C 16 31.800 31.800 31.455 0.345 17717 6113 1 7 . 1 1 16 16 VAL H H 16 7.870 7.870 7.644 0.226 17717 6114 1 7 . 1 1 17 17 TYR N N 17 112.116 112.116 116.881 -4.765 17717 6115 1 7 . 1 1 17 17 TYR HA H 17 4.751 4.751 4.407 0.344 17717 6116 1 7 . 1 1 17 17 TYR CA C 17 59.040 59.040 60.521 -1.481 17717 6117 1 7 . 1 1 17 17 TYR CB C 17 39.060 39.060 37.086 1.974 17717 6118 1 7 . 1 1 17 17 TYR H H 17 8.000 8.000 8.113 -0.113 17717 6119 1 7 . 1 1 18 18 VAL N N 18 114.241 114.241 121.162 -6.921 17717 6120 1 7 . 1 1 18 18 VAL HA H 18 4.220 4.220 3.433 0.787 17717 6121 1 7 . 1 1 18 18 VAL CA C 18 63.520 63.520 66.576 -3.056 17717 6122 1 7 . 1 1 18 18 VAL CB C 18 31.128 31.128 31.375 -0.247 17717 6123 1 7 . 1 1 18 18 VAL H H 18 7.600 7.600 6.777 0.823 17717 6124 1 7 . 1 1 19 19 ASP N N 19 123.272 123.272 119.961 3.311 17717 6125 1 7 . 1 1 19 19 ASP HA H 19 4.523 4.523 4.334 0.189 17717 6126 1 7 . 1 1 19 19 ASP CA C 19 56.445 56.445 57.549 -1.104 17717 6127 1 7 . 1 1 19 19 ASP CB C 19 38.700 38.700 40.742 -2.042 17717 6128 1 7 . 1 1 19 19 ASP H H 19 8.890 8.890 8.212 0.678 17717 6129 1 7 . 1 1 20 20 ALA N N 20 118.491 118.491 122.561 -4.070 17717 6130 1 7 . 1 1 20 20 ALA HA H 20 4.230 4.230 4.319 -0.089 17717 6131 1 7 . 1 1 20 20 ALA CA C 20 54.100 54.100 55.267 -1.167 17717 6132 1 7 . 1 1 20 20 ALA CB C 20 18.760 18.760 19.127 -0.367 17717 6133 1 7 . 1 1 20 20 ALA H H 20 6.630 6.630 7.545 -0.915 17717 6134 1 7 . 1 1 21 21 VAL N N 21 116.897 116.897 116.123 0.774 17717 6135 1 7 . 1 1 21 21 VAL HA H 21 3.664 3.664 3.417 0.247 17717 6136 1 7 . 1 1 21 21 VAL CA C 21 66.200 66.200 65.658 0.542 17717 6137 1 7 . 1 1 21 21 VAL CB C 21 30.460 30.460 31.525 -1.065 17717 6138 1 7 . 1 1 21 21 VAL H H 21 7.410 7.410 7.708 -0.298 17717 6139 1 7 . 1 1 22 22 LYS N N 22 121.147 121.147 117.385 3.762 17717 6140 1 7 . 1 1 22 22 LYS HA H 22 4.222 4.222 3.949 0.273 17717 6141 1 7 . 1 1 22 22 LYS CA C 22 59.300 59.300 59.009 0.291 17717 6142 1 7 . 1 1 22 22 LYS CB C 22 31.100 31.100 31.619 -0.519 17717 6143 1 7 . 1 1 22 22 LYS H H 22 8.180 8.180 8.191 -0.011 17717 6144 1 7 . 1 1 23 23 ASP N N 23 121.278 121.278 120.049 1.229 17717 6145 1 7 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.448 0.118 17717 6146 1 7 . 1 1 23 23 ASP CA C 23 56.300 56.300 57.273 -0.973 17717 6147 1 7 . 1 1 23 23 ASP CB C 23 38.800 38.800 40.972 -2.172 17717 6148 1 7 . 1 1 23 23 ASP H H 23 8.860 8.860 7.850 1.010 17717 6149 1 7 . 1 1 24 24 SER N N 24 118.491 118.491 115.146 3.345 17717 6150 1 7 . 1 1 24 24 SER HA H 24 4.132 4.132 3.940 0.192 17717 6151 1 7 . 1 1 24 24 SER CA C 24 61.600 61.600 60.505 1.095 17717 6152 1 7 . 1 1 24 24 SER CB C 24 62.442 62.442 62.270 0.172 17717 6153 1 7 . 1 1 24 24 SER H H 24 7.950 7.950 7.857 0.093 17717 6154 1 7 . 1 1 25 25 GLY N N 25 108.377 108.377 110.748 -2.371 17717 6155 1 7 . 1 1 25 25 GLY CA C 25 44.400 44.400 46.670 -2.270 17717 6156 1 7 . 1 1 25 25 GLY H H 25 7.560 7.560 7.637 -0.077 17717 6157 1 7 . 1 1 26 26 ARG N N 26 124.240 124.240 121.637 2.603 17717 6158 1 7 . 1 1 26 26 ARG HA H 26 4.303 4.303 4.137 0.166 17717 6159 1 7 . 1 1 26 26 ARG CA C 26 54.000 54.000 58.648 -4.648 17717 6160 1 7 . 1 1 26 26 ARG CB C 26 28.240 28.240 29.869 -1.629 17717 6161 1 7 . 1 1 26 26 ARG H H 26 8.200 8.200 7.752 0.448 17717 6162 1 7 . 1 1 27 27 ASP N N 27 121.678 121.678 118.886 2.792 17717 6163 1 7 . 1 1 27 27 ASP HA H 27 4.211 4.211 4.557 -0.346 17717 6164 1 7 . 1 1 27 27 ASP CA C 27 58.380 58.380 57.130 1.250 17717 6165 1 7 . 1 1 27 27 ASP CB C 27 40.400 40.400 41.585 -1.185 17717 6166 1 7 . 1 1 27 27 ASP H H 27 7.880 7.880 7.732 0.148 17717 6167 1 7 . 1 1 28 28 TYR N N 28 121.440 121.440 121.307 0.133 17717 6168 1 7 . 1 1 28 28 TYR HA H 28 4.480 4.480 4.297 0.183 17717 6169 1 7 . 1 1 28 28 TYR CA C 28 57.800 57.800 60.376 -2.576 17717 6170 1 7 . 1 1 28 28 TYR CB C 28 38.322 38.322 38.725 -0.404 17717 6171 1 7 . 1 1 28 28 TYR H H 28 8.020 8.020 8.185 -0.165 17717 6172 1 7 . 1 1 29 29 VAL N N 29 123.272 123.272 118.943 4.329 17717 6173 1 7 . 1 1 29 29 VAL HA H 29 4.040 4.040 3.606 0.434 17717 6174 1 7 . 1 1 29 29 VAL CA C 29 66.400 66.400 64.702 1.698 17717 6175 1 7 . 1 1 29 29 VAL CB C 29 30.500 30.500 31.154 -0.654 17717 6176 1 7 . 1 1 29 29 VAL H H 29 8.280 8.280 8.396 -0.116 17717 6177 1 7 . 1 1 30 30 SER N N 30 117.429 117.429 116.215 1.214 17717 6178 1 7 . 1 1 30 30 SER HA H 30 4.000 4.000 4.066 -0.066 17717 6179 1 7 . 1 1 30 30 SER CA C 30 61.070 61.070 62.260 -1.190 17717 6180 1 7 . 1 1 30 30 SER CB C 30 62.000 62.000 62.876 -0.876 17717 6181 1 7 . 1 1 30 30 SER H H 30 8.930 8.930 7.699 1.230 17717 6182 1 7 . 1 1 31 31 GLN N N 31 121.147 121.147 121.618 -0.471 17717 6183 1 7 . 1 1 31 31 GLN HA H 31 4.136 4.136 4.061 0.075 17717 6184 1 7 . 1 1 31 31 GLN CA C 31 58.210 58.210 58.270 -0.060 17717 6185 1 7 . 1 1 31 31 GLN CB C 31 27.600 27.600 28.084 -0.484 17717 6186 1 7 . 1 1 31 31 GLN H H 31 7.740 7.740 7.477 0.263 17717 6187 1 7 . 1 1 32 32 PHE N N 32 117.429 117.429 119.695 -2.266 17717 6188 1 7 . 1 1 32 32 PHE HA H 32 4.020 4.020 3.930 0.090 17717 6189 1 7 . 1 1 32 32 PHE CA C 32 60.600 60.600 61.204 -0.604 17717 6190 1 7 . 1 1 32 32 PHE CB C 32 36.896 36.896 38.725 -1.829 17717 6191 1 7 . 1 1 32 32 PHE H H 32 7.200 7.200 7.557 -0.357 17717 6192 1 7 . 1 1 33 33 GLU N N 33 122.210 122.210 118.440 3.770 17717 6193 1 7 . 1 1 33 33 GLU HA H 33 4.769 4.769 3.451 1.318 17717 6194 1 7 . 1 1 33 33 GLU CA C 33 59.220 59.220 58.691 0.529 17717 6195 1 7 . 1 1 33 33 GLU CB C 33 29.240 29.240 28.939 0.301 17717 6196 1 7 . 1 1 33 33 GLU H H 33 8.160 8.160 7.788 0.372 17717 6197 1 7 . 1 1 34 34 SER N N 34 109.991 109.991 113.859 -3.868 17717 6198 1 7 . 1 1 34 34 SER HA H 34 4.309 4.309 4.238 0.071 17717 6199 1 7 . 1 1 34 34 SER CA C 34 58.240 58.240 60.559 -2.319 17717 6200 1 7 . 1 1 34 34 SER CB C 34 63.260 63.260 62.849 0.411 17717 6201 1 7 . 1 1 34 34 SER H H 34 7.890 7.890 7.622 0.268 17717 6202 1 7 . 1 1 35 35 SER N N 35 120.085 120.085 118.770 1.315 17717 6203 1 7 . 1 1 35 35 SER HA H 35 4.354 4.354 4.018 0.336 17717 6204 1 7 . 1 1 35 35 SER CA C 35 58.100 58.100 61.309 -3.209 17717 6205 1 7 . 1 1 35 35 SER CB C 35 64.398 64.398 62.568 1.830 17717 6206 1 7 . 1 1 35 35 SER H H 35 7.420 7.420 7.935 -0.515 17717 6207 1 7 . 1 1 36 36 SER N N 36 116.130 116.130 118.857 -2.727 17717 6208 1 7 . 1 1 36 36 SER HA H 36 4.350 4.350 4.069 0.281 17717 6209 1 7 . 1 1 36 36 SER CA C 36 58.600 58.600 61.933 -3.333 17717 6210 1 7 . 1 1 36 36 SER CB C 36 63.370 63.370 62.784 0.586 17717 6211 1 7 . 1 1 36 36 SER H H 36 8.100 8.100 7.493 0.607 17717 6212 1 7 . 1 1 37 37 LEU N N 37 121.678 121.678 121.304 0.374 17717 6213 1 7 . 1 1 37 37 LEU HA H 37 4.222 4.222 4.101 0.121 17717 6214 1 7 . 1 1 37 37 LEU CA C 37 56.400 56.400 56.974 -0.574 17717 6215 1 7 . 1 1 37 37 LEU CB C 37 41.200 41.200 41.809 -0.609 17717 6216 1 7 . 1 1 37 37 LEU H H 37 8.290 8.290 7.381 0.909 17717 6217 1 7 . 1 1 38 38 GLY N N 38 108.400 108.400 105.656 2.744 17717 6218 1 7 . 1 1 38 38 GLY CA C 38 46.220 46.220 46.498 -0.278 17717 6219 1 7 . 1 1 38 38 GLY H H 38 7.280 7.280 7.924 -0.644 17717 6220 1 7 . 1 1 39 39 GLN N N 39 120.920 120.920 122.724 -1.804 17717 6221 1 7 . 1 1 39 39 GLN HA H 39 4.092 4.092 4.011 0.081 17717 6222 1 7 . 1 1 39 39 GLN CA C 39 57.423 57.423 58.884 -1.461 17717 6223 1 7 . 1 1 39 39 GLN CB C 39 28.847 28.847 28.390 0.457 17717 6224 1 7 . 1 1 39 39 GLN H H 39 8.360 8.360 8.019 0.341 17717 6225 1 7 . 1 1 40 40 GLN N N 40 118.648 118.648 119.159 -0.511 17717 6226 1 7 . 1 1 40 40 GLN HA H 40 4.040 4.040 4.107 -0.067 17717 6227 1 7 . 1 1 40 40 GLN CA C 40 57.471 57.471 58.470 -0.999 17717 6228 1 7 . 1 1 40 40 GLN CB C 40 28.777 28.777 28.411 0.366 17717 6229 1 7 . 1 1 40 40 GLN H H 40 7.630 7.630 7.684 -0.054 17717 6230 1 7 . 1 1 41 41 LEU N N 41 116.800 116.800 121.817 -5.017 17717 6231 1 7 . 1 1 41 41 LEU HA H 41 4.222 4.222 3.965 0.257 17717 6232 1 7 . 1 1 41 41 LEU CA C 41 55.400 55.400 58.129 -2.729 17717 6233 1 7 . 1 1 41 41 LEU CB C 41 41.754 41.754 41.993 -0.239 17717 6234 1 7 . 1 1 41 41 LEU H H 41 8.010 8.010 7.834 0.176 17717 6235 1 7 . 1 1 42 42 ASN N N 42 115.840 115.840 117.519 -1.679 17717 6236 1 7 . 1 1 42 42 ASN HA H 42 4.485 4.485 4.431 0.054 17717 6237 1 7 . 1 1 42 42 ASN CA C 42 53.500 53.500 56.304 -2.804 17717 6238 1 7 . 1 1 42 42 ASN CB C 42 37.000 37.000 38.661 -1.661 17717 6239 1 7 . 1 1 42 42 ASN H H 42 7.840 7.840 7.829 0.011 17717 6240 1 7 . 1 1 43 43 LEU N N 43 118.490 118.490 120.472 -1.982 17717 6241 1 7 . 1 1 43 43 LEU HA H 43 4.480 4.480 4.119 0.361 17717 6242 1 7 . 1 1 43 43 LEU CA C 43 55.502 55.502 57.645 -2.143 17717 6243 1 7 . 1 1 43 43 LEU CB C 43 41.200 41.200 41.341 -0.141 17717 6244 1 7 . 1 1 43 43 LEU H H 43 9.670 9.670 8.178 1.492 17717 6245 1 7 . 1 1 44 44 ASN N N 44 119.553 119.553 118.036 1.517 17717 6246 1 7 . 1 1 44 44 ASN HA H 44 4.520 4.520 4.504 0.016 17717 6247 1 7 . 1 1 44 44 ASN CA C 44 52.770 52.770 56.400 -3.630 17717 6248 1 7 . 1 1 44 44 ASN CB C 44 36.200 36.200 38.429 -2.229 17717 6249 1 7 . 1 1 44 44 ASN H H 44 8.950 8.950 8.028 0.922 17717 6250 1 7 . 1 1 45 45 LEU N N 45 119.553 119.553 118.408 1.145 17717 6251 1 7 . 1 1 45 45 LEU HA H 45 4.048 4.048 4.154 -0.106 17717 6252 1 7 . 1 1 45 45 LEU CA C 45 55.569 55.569 57.854 -2.285 17717 6253 1 7 . 1 1 45 45 LEU CB C 45 41.250 41.250 41.618 -0.368 17717 6254 1 7 . 1 1 45 45 LEU H H 45 8.970 8.970 7.606 1.364 17717 6255 1 7 . 1 1 46 46 LEU N N 46 116.900 116.900 119.001 -2.101 17717 6256 1 7 . 1 1 46 46 LEU HA H 46 4.351 4.351 4.476 -0.125 17717 6257 1 7 . 1 1 46 46 LEU CA C 46 54.684 54.684 57.715 -3.031 17717 6258 1 7 . 1 1 46 46 LEU CB C 46 39.800 39.800 42.348 -2.548 17717 6259 1 7 . 1 1 46 46 LEU H H 46 8.450 8.450 7.211 1.239 17717 6260 1 7 . 1 1 47 47 GLU N N 47 122.741 122.741 118.783 3.958 17717 6261 1 7 . 1 1 47 47 GLU HA H 47 4.018 4.018 3.987 0.031 17717 6262 1 7 . 1 1 47 47 GLU CA C 47 58.280 58.280 59.478 -1.198 17717 6263 1 7 . 1 1 47 47 GLU CB C 47 28.800 28.800 29.653 -0.853 17717 6264 1 7 . 1 1 47 47 GLU H H 47 7.490 7.490 7.990 -0.500 17717 6265 1 7 . 1 1 48 48 ASN N N 48 117.200 117.200 117.957 -0.757 17717 6266 1 7 . 1 1 48 48 ASN HA H 48 4.300 4.300 4.533 -0.233 17717 6267 1 7 . 1 1 48 48 ASN CA C 48 53.550 53.550 55.577 -2.027 17717 6268 1 7 . 1 1 48 48 ASN CB C 48 38.490 38.490 38.396 0.094 17717 6269 1 7 . 1 1 48 48 ASN H H 48 8.450 8.450 8.450 0.000 17717 6270 1 7 . 1 1 49 49 TRP N N 49 119.320 119.320 119.059 0.261 17717 6271 1 7 . 1 1 49 49 TRP HA H 49 4.300 4.300 4.418 -0.118 17717 6272 1 7 . 1 1 49 49 TRP CA C 49 56.200 56.200 59.333 -3.133 17717 6273 1 7 . 1 1 49 49 TRP CB C 49 27.800 27.800 29.212 -1.413 17717 6274 1 7 . 1 1 49 49 TRP H H 49 8.050 8.050 7.923 0.127 17717 6275 1 7 . 1 1 50 50 ASP N N 50 124.860 124.860 116.208 8.652 17717 6276 1 7 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.812 -0.122 17717 6277 1 7 . 1 1 50 50 ASP CA C 50 54.180 54.180 55.990 -1.810 17717 6278 1 7 . 1 1 50 50 ASP CB C 50 40.318 40.318 43.528 -3.210 17717 6279 1 7 . 1 1 50 50 ASP H H 50 8.470 8.470 8.139 0.331 17717 6280 1 7 . 1 1 51 51 THR N N 51 114.240 114.240 113.084 1.156 17717 6281 1 7 . 1 1 51 51 THR HA H 51 4.250 4.250 4.467 -0.217 17717 6282 1 7 . 1 1 51 51 THR CA C 51 61.800 61.800 62.358 -0.558 17717 6283 1 7 . 1 1 51 51 THR CB C 51 69.000 69.000 70.175 -1.175 17717 6284 1 7 . 1 1 51 51 THR H H 51 7.920 7.920 8.614 -0.694 17717 6285 1 7 . 1 1 52 52 LEU N N 52 124.335 124.335 115.959 8.376 17717 6286 1 7 . 1 1 52 52 LEU HA H 52 4.261 4.261 4.654 -0.393 17717 6287 1 7 . 1 1 52 52 LEU CA C 52 54.800 54.800 55.287 -0.487 17717 6288 1 7 . 1 1 52 52 LEU CB C 52 41.200 41.200 43.832 -2.632 17717 6289 1 7 . 1 1 52 52 LEU H H 52 8.000 8.000 7.757 0.243 17717 6290 1 7 . 1 1 53 53 GLY N N 53 109.991 109.991 107.504 2.487 17717 6291 1 7 . 1 1 53 53 GLY CA C 53 44.700 44.700 44.866 -0.166 17717 6292 1 7 . 1 1 53 53 GLY H H 53 8.450 8.450 8.230 0.220 17717 6293 1 7 . 1 1 54 54 SER N N 54 113.710 113.710 113.539 0.171 17717 6294 1 7 . 1 1 54 54 SER HA H 54 4.480 4.480 4.428 0.052 17717 6295 1 7 . 1 1 54 54 SER CA C 54 57.300 57.300 58.396 -1.096 17717 6296 1 7 . 1 1 54 54 SER CB C 54 63.100 63.100 62.585 0.515 17717 6297 1 7 . 1 1 54 54 SER H H 54 8.060 8.060 7.860 0.200 17717 6298 1 7 . 1 1 55 55 THR N N 55 116.897 116.897 115.882 1.015 17717 6299 1 7 . 1 1 55 55 THR HA H 55 4.044 4.044 4.291 -0.247 17717 6300 1 7 . 1 1 55 55 THR CA C 55 61.700 61.700 62.362 -0.662 17717 6301 1 7 . 1 1 55 55 THR CB C 55 69.800 69.800 69.667 0.133 17717 6302 1 7 . 1 1 55 55 THR H H 55 8.210 8.210 7.703 0.507 17717 6303 1 7 . 1 1 56 56 VAL N N 56 123.300 123.300 114.342 8.958 17717 6304 1 7 . 1 1 56 56 VAL HA H 56 3.793 3.793 4.560 -0.767 17717 6305 1 7 . 1 1 56 56 VAL CA C 56 66.384 66.384 60.693 5.691 17717 6306 1 7 . 1 1 56 56 VAL CB C 56 30.268 30.268 32.201 -1.933 17717 6307 1 7 . 1 1 56 56 VAL H H 56 8.280 8.280 8.063 0.217 17717 6308 1 7 . 1 1 57 57 SER N N 57 117.429 117.429 118.162 -0.733 17717 6309 1 7 . 1 1 57 57 SER HA H 57 4.136 4.136 4.323 -0.187 17717 6310 1 7 . 1 1 57 57 SER CA C 57 61.100 61.100 60.932 0.168 17717 6311 1 7 . 1 1 57 57 SER CB C 57 62.800 62.800 63.818 -1.018 17717 6312 1 7 . 1 1 57 57 SER H H 57 7.850 7.850 7.992 -0.142 17717 6313 1 7 . 1 1 58 58 GLN N N 58 128.580 128.580 115.039 13.541 17717 6314 1 7 . 1 1 58 58 GLN HA H 58 4.260 4.260 4.408 -0.148 17717 6315 1 7 . 1 1 58 58 GLN CA C 58 56.642 56.642 57.532 -0.890 17717 6316 1 7 . 1 1 58 58 GLN CB C 58 29.023 29.023 29.233 -0.210 17717 6317 1 7 . 1 1 58 58 GLN H H 58 7.990 7.990 8.232 -0.242 17717 6318 1 7 . 1 1 59 59 LEU N N 59 122.210 122.210 120.049 2.161 17717 6319 1 7 . 1 1 59 59 LEU HA H 59 4.310 4.310 4.038 0.272 17717 6320 1 7 . 1 1 59 59 LEU CA C 59 55.300 55.300 59.211 -3.911 17717 6321 1 7 . 1 1 59 59 LEU CB C 59 41.160 41.160 41.073 0.087 17717 6322 1 7 . 1 1 59 59 LEU H H 59 8.050 8.050 8.393 -0.343 17717 6323 1 7 . 1 1 60 60 GLN N N 60 120.085 120.085 118.491 1.594 17717 6324 1 7 . 1 1 60 60 GLN HA H 60 4.222 4.222 4.105 0.117 17717 6325 1 7 . 1 1 60 60 GLN CA C 60 55.960 55.960 59.462 -3.502 17717 6326 1 7 . 1 1 60 60 GLN CB C 60 27.900 27.900 28.159 -0.259 17717 6327 1 7 . 1 1 60 60 GLN H H 60 8.210 8.210 8.644 -0.434 17717 6328 1 7 . 1 1 61 61 GLU N N 61 120.920 120.920 118.307 2.613 17717 6329 1 7 . 1 1 61 61 GLU HA H 61 4.216 4.216 4.016 0.200 17717 6330 1 7 . 1 1 61 61 GLU CA C 61 56.900 56.900 59.445 -2.545 17717 6331 1 7 . 1 1 61 61 GLU CB C 61 28.500 28.500 29.247 -0.747 17717 6332 1 7 . 1 1 61 61 GLU H H 61 8.590 8.590 8.716 -0.127 17717 6333 1 7 . 1 1 62 62 ARG N N 62 118.833 118.833 118.100 0.733 17717 6334 1 7 . 1 1 62 62 ARG HA H 62 4.161 4.161 4.210 -0.049 17717 6335 1 7 . 1 1 62 62 ARG CA C 62 58.030 58.030 58.693 -0.663 17717 6336 1 7 . 1 1 62 62 ARG CB C 62 29.400 29.400 30.593 -1.193 17717 6337 1 7 . 1 1 62 62 ARG H H 62 7.680 7.680 8.173 -0.493 17717 6338 1 7 . 1 1 63 63 LEU N N 63 118.790 118.790 120.684 -1.894 17717 6339 1 7 . 1 1 63 63 LEU HA H 63 4.100 4.100 4.084 0.016 17717 6340 1 7 . 1 1 63 63 LEU CA C 63 56.360 56.360 57.529 -1.169 17717 6341 1 7 . 1 1 63 63 LEU CB C 63 41.130 41.130 41.415 -0.285 17717 6342 1 7 . 1 1 63 63 LEU H H 63 8.320 8.320 7.926 0.394 17717 6343 1 7 . 1 1 64 64 GLY N N 64 104.679 104.679 108.096 -3.417 17717 6344 1 7 . 1 1 64 64 GLY CA C 64 44.145 44.145 48.035 -3.890 17717 6345 1 7 . 1 1 64 64 GLY H H 64 7.220 7.220 8.572 -1.352 17717 6346 1 7 . 1 1 65 65 PRO CA C 65 62.817 62.817 64.821 -2.004 17717 6347 1 7 . 1 1 65 65 PRO CB C 65 31.290 31.290 31.445 -0.155 17717 6348 1 7 . 1 1 66 66 LEU N N 66 124.866 124.866 120.886 3.980 17717 6349 1 7 . 1 1 66 66 LEU HA H 66 4.609 4.609 4.279 0.330 17717 6350 1 7 . 1 1 66 66 LEU CA C 66 52.900 52.900 58.608 -5.708 17717 6351 1 7 . 1 1 66 66 LEU CB C 66 43.200 43.200 41.034 2.166 17717 6352 1 7 . 1 1 66 66 LEU H H 66 8.550 8.550 8.020 0.530 17717 6353 1 7 . 1 1 67 67 THR N N 67 112.116 112.116 113.063 -0.947 17717 6354 1 7 . 1 1 67 67 THR HA H 67 4.824 4.824 4.439 0.385 17717 6355 1 7 . 1 1 67 67 THR CA C 67 59.240 59.240 66.268 -7.028 17717 6356 1 7 . 1 1 67 67 THR CB C 67 71.550 71.550 69.023 2.527 17717 6357 1 7 . 1 1 67 67 THR H H 67 7.650 7.650 7.928 -0.278 17717 6358 1 7 . 1 1 68 68 ARG N N 68 120.085 120.085 119.439 0.646 17717 6359 1 7 . 1 1 68 68 ARG HA H 68 4.230 4.230 4.035 0.195 17717 6360 1 7 . 1 1 68 68 ARG CA C 68 58.600 58.600 59.184 -0.584 17717 6361 1 7 . 1 1 68 68 ARG CB C 68 28.900 28.900 30.103 -1.203 17717 6362 1 7 . 1 1 68 68 ARG H H 68 8.950 8.950 7.606 1.344 17717 6363 1 7 . 1 1 69 69 ASP N N 69 116.366 116.366 120.160 -3.794 17717 6364 1 7 . 1 1 69 69 ASP HA H 69 4.249 4.249 4.389 -0.140 17717 6365 1 7 . 1 1 69 69 ASP CA C 69 56.100 56.100 58.201 -2.101 17717 6366 1 7 . 1 1 69 69 ASP CB C 69 39.550 39.550 40.717 -1.167 17717 6367 1 7 . 1 1 69 69 ASP H H 69 8.100 8.100 7.788 0.312 17717 6368 1 7 . 1 1 70 70 PHE N N 70 119.553 119.553 118.803 0.750 17717 6369 1 7 . 1 1 70 70 PHE HA H 70 4.090 4.090 3.825 0.265 17717 6370 1 7 . 1 1 70 70 PHE CA C 70 60.700 60.700 59.559 1.141 17717 6371 1 7 . 1 1 70 70 PHE CB C 70 38.100 38.100 37.632 0.468 17717 6372 1 7 . 1 1 70 70 PHE H H 70 7.420 7.420 7.272 0.148 17717 6373 1 7 . 1 1 71 71 TRP N N 71 120.085 120.085 122.227 -2.142 17717 6374 1 7 . 1 1 71 71 TRP HA H 71 4.044 4.044 3.248 0.796 17717 6375 1 7 . 1 1 71 71 TRP CA C 71 58.100 58.100 61.551 -3.451 17717 6376 1 7 . 1 1 71 71 TRP CB C 71 28.100 28.100 28.766 -0.666 17717 6377 1 7 . 1 1 71 71 TRP H H 71 6.950 6.950 7.035 -0.085 17717 6378 1 7 . 1 1 72 72 ASP N N 72 121.450 121.450 117.690 3.760 17717 6379 1 7 . 1 1 72 72 ASP HA H 72 4.310 4.310 3.399 0.911 17717 6380 1 7 . 1 1 72 72 ASP CA C 72 55.350 55.350 56.513 -1.163 17717 6381 1 7 . 1 1 72 72 ASP CB C 72 40.000 40.000 40.360 -0.360 17717 6382 1 7 . 1 1 72 72 ASP H H 72 8.350 8.350 7.725 0.625 17717 6383 1 7 . 1 1 73 73 ASN N N 73 117.200 117.200 118.474 -1.274 17717 6384 1 7 . 1 1 73 73 ASN HA H 73 4.220 4.220 4.356 -0.136 17717 6385 1 7 . 1 1 73 73 ASN CA C 73 54.500 54.500 56.450 -1.950 17717 6386 1 7 . 1 1 73 73 ASN CB C 73 40.000 40.000 38.818 1.182 17717 6387 1 7 . 1 1 73 73 ASN H H 73 7.700 7.700 7.769 -0.069 17717 6388 1 7 . 1 1 74 74 LEU N N 74 123.600 123.600 120.096 3.504 17717 6389 1 7 . 1 1 74 74 LEU HA H 74 4.350 4.350 4.336 0.014 17717 6390 1 7 . 1 1 74 74 LEU CA C 74 54.700 54.700 57.757 -3.057 17717 6391 1 7 . 1 1 74 74 LEU CB C 74 41.400 41.400 42.233 -0.833 17717 6392 1 7 . 1 1 74 74 LEU H H 74 8.330 8.330 8.354 -0.024 17717 6393 1 7 . 1 1 75 75 GLU N N 75 121.400 121.400 120.639 0.761 17717 6394 1 7 . 1 1 75 75 GLU HA H 75 4.000 4.000 3.730 0.270 17717 6395 1 7 . 1 1 75 75 GLU CA C 75 58.200 58.200 59.454 -1.254 17717 6396 1 7 . 1 1 75 75 GLU CB C 75 28.400 28.400 29.040 -0.640 17717 6397 1 7 . 1 1 75 75 GLU H H 75 8.600 8.600 8.243 0.357 17717 6398 1 7 . 1 1 76 76 LYS N N 76 118.000 118.000 118.755 -0.755 17717 6399 1 7 . 1 1 76 76 LYS HA H 76 4.117 4.117 4.106 0.011 17717 6400 1 7 . 1 1 76 76 LYS CA C 76 58.400 58.400 58.858 -0.457 17717 6401 1 7 . 1 1 76 76 LYS CB C 76 32.480 32.480 32.468 0.013 17717 6402 1 7 . 1 1 76 76 LYS H H 76 7.690 7.690 7.337 0.353 17717 6403 1 7 . 1 1 77 77 GLU N N 77 115.835 115.835 119.080 -3.245 17717 6404 1 7 . 1 1 77 77 GLU HA H 77 4.310 4.310 3.937 0.373 17717 6405 1 7 . 1 1 77 77 GLU CA C 77 54.785 54.785 60.132 -5.347 17717 6406 1 7 . 1 1 77 77 GLU CB C 77 28.355 28.355 29.387 -1.032 17717 6407 1 7 . 1 1 77 77 GLU H H 77 8.290 8.290 7.757 0.533 17717 6408 1 7 . 1 1 78 78 THR N N 78 120.300 120.300 112.389 7.911 17717 6409 1 7 . 1 1 78 78 THR HA H 78 4.410 4.410 3.869 0.541 17717 6410 1 7 . 1 1 78 78 THR CA C 78 68.100 68.100 66.744 1.356 17717 6411 1 7 . 1 1 78 78 THR CB C 78 69.451 69.451 68.405 1.046 17717 6412 1 7 . 1 1 78 78 THR H H 78 7.490 7.490 8.293 -0.803 17717 6413 1 7 . 1 1 79 79 ASP N N 79 120.085 120.085 121.880 -1.795 17717 6414 1 7 . 1 1 79 79 ASP HA H 79 4.480 4.480 4.341 0.139 17717 6415 1 7 . 1 1 79 79 ASP CA C 79 57.426 57.426 57.315 0.112 17717 6416 1 7 . 1 1 79 79 ASP CB C 79 39.240 39.240 40.781 -1.541 17717 6417 1 7 . 1 1 79 79 ASP H H 79 8.880 8.880 7.725 1.155 17717 6418 1 7 . 1 1 80 80 TRP N N 80 123.803 123.803 121.920 1.883 17717 6419 1 7 . 1 1 80 80 TRP HA H 80 4.280 4.280 4.321 -0.041 17717 6420 1 7 . 1 1 80 80 TRP CA C 80 60.660 60.660 61.803 -1.143 17717 6421 1 7 . 1 1 80 80 TRP CB C 80 27.000 27.000 30.290 -3.290 17717 6422 1 7 . 1 1 80 80 TRP H H 80 7.760 7.760 7.955 -0.195 17717 6423 1 7 . 1 1 81 81 VAL N N 81 118.790 118.790 117.161 1.629 17717 6424 1 7 . 1 1 81 81 VAL HA H 81 4.280 4.280 3.833 0.447 17717 6425 1 7 . 1 1 81 81 VAL CA C 81 61.200 61.200 66.213 -5.013 17717 6426 1 7 . 1 1 81 81 VAL CB C 81 29.900 29.900 31.717 -1.817 17717 6427 1 7 . 1 1 81 81 VAL H H 81 8.160 8.160 8.907 -0.747 17717 6428 1 7 . 1 1 82 82 ARG N N 82 119.190 119.190 119.870 -0.680 17717 6429 1 7 . 1 1 82 82 ARG HA H 82 4.480 4.480 3.989 0.491 17717 6430 1 7 . 1 1 82 82 ARG CA C 82 58.400 58.400 59.324 -0.924 17717 6431 1 7 . 1 1 82 82 ARG CB C 82 29.800 29.800 30.154 -0.354 17717 6432 1 7 . 1 1 82 82 ARG H H 82 7.100 7.100 8.434 -1.334 17717 6433 1 7 . 1 1 83 83 GLN N N 83 117.960 117.960 118.353 -0.393 17717 6434 1 7 . 1 1 83 83 GLN HA H 83 4.222 4.222 3.974 0.248 17717 6435 1 7 . 1 1 83 83 GLN CA C 83 55.600 55.600 58.459 -2.858 17717 6436 1 7 . 1 1 83 83 GLN CB C 83 28.550 28.550 28.234 0.316 17717 6437 1 7 . 1 1 83 83 GLN H H 83 8.050 8.050 7.726 0.324 17717 6438 1 7 . 1 1 84 84 GLU N N 84 119.022 119.022 118.814 0.208 17717 6439 1 7 . 1 1 84 84 GLU HA H 84 4.100 4.100 3.936 0.164 17717 6440 1 7 . 1 1 84 84 GLU CA C 84 57.300 57.300 57.897 -0.597 17717 6441 1 7 . 1 1 84 84 GLU CB C 84 28.600 28.600 29.022 -0.422 17717 6442 1 7 . 1 1 84 84 GLU H H 84 7.920 7.920 8.306 -0.386 17717 6443 1 7 . 1 1 85 85 MET N N 85 117.565 117.565 120.397 -2.832 17717 6444 1 7 . 1 1 85 85 MET HA H 85 4.265 4.265 3.939 0.326 17717 6445 1 7 . 1 1 85 85 MET CA C 85 55.020 55.020 59.298 -4.278 17717 6446 1 7 . 1 1 85 85 MET CB C 85 33.000 33.000 32.174 0.826 17717 6447 1 7 . 1 1 85 85 MET H H 85 8.230 8.230 7.404 0.826 17717 6448 1 7 . 1 1 86 86 ASN N N 86 119.022 119.022 116.474 2.548 17717 6449 1 7 . 1 1 86 86 ASN HA H 86 4.570 4.570 4.538 0.032 17717 6450 1 7 . 1 1 86 86 ASN CA C 86 56.000 56.000 55.448 0.552 17717 6451 1 7 . 1 1 86 86 ASN CB C 86 37.700 37.700 38.459 -0.759 17717 6452 1 7 . 1 1 86 86 ASN H H 86 8.600 8.600 7.772 0.828 17717 6453 1 7 . 1 1 87 87 LYS N N 87 120.273 120.273 120.858 -0.585 17717 6454 1 7 . 1 1 87 87 LYS HA H 87 4.100 4.100 3.924 0.176 17717 6455 1 7 . 1 1 87 87 LYS CA C 87 59.000 59.000 59.129 -0.129 17717 6456 1 7 . 1 1 87 87 LYS CB C 87 30.900 30.900 32.017 -1.117 17717 6457 1 7 . 1 1 87 87 LYS H H 87 7.220 7.220 7.505 -0.285 17717 6458 1 7 . 1 1 88 88 ASP N N 88 121.147 121.147 119.037 2.110 17717 6459 1 7 . 1 1 88 88 ASP HA H 88 4.480 4.480 4.385 0.095 17717 6460 1 7 . 1 1 88 88 ASP CA C 88 56.840 56.840 57.197 -0.357 17717 6461 1 7 . 1 1 88 88 ASP CB C 88 39.450 39.450 40.593 -1.143 17717 6462 1 7 . 1 1 88 88 ASP H H 88 7.390 7.390 7.981 -0.591 17717 6463 1 7 . 1 1 89 89 LEU N N 89 122.741 122.741 120.305 2.436 17717 6464 1 7 . 1 1 89 89 LEU HA H 89 4.470 4.470 3.918 0.552 17717 6465 1 7 . 1 1 89 89 LEU CA C 89 57.000 57.000 58.661 -1.661 17717 6466 1 7 . 1 1 89 89 LEU CB C 89 41.000 41.000 42.188 -1.188 17717 6467 1 7 . 1 1 89 89 LEU H H 89 8.910 8.910 7.434 1.476 17717 6468 1 7 . 1 1 90 90 GLU N N 90 119.553 119.553 117.542 2.011 17717 6469 1 7 . 1 1 90 90 GLU HA H 90 4.050 4.050 4.130 -0.080 17717 6470 1 7 . 1 1 90 90 GLU CA C 90 59.100 59.100 58.601 0.499 17717 6471 1 7 . 1 1 90 90 GLU CB C 90 28.556 28.556 29.687 -1.131 17717 6472 1 7 . 1 1 90 90 GLU H H 90 8.260 8.260 7.780 0.480 17717 6473 1 7 . 1 1 91 91 GLU N N 91 119.190 119.190 120.204 -1.014 17717 6474 1 7 . 1 1 91 91 GLU HA H 91 4.136 4.136 4.150 -0.014 17717 6475 1 7 . 1 1 91 91 GLU CA C 91 58.600 58.600 59.290 -0.690 17717 6476 1 7 . 1 1 91 91 GLU CB C 91 28.600 28.600 29.877 -1.277 17717 6477 1 7 . 1 1 91 91 GLU H H 91 7.470 7.470 7.877 -0.407 17717 6478 1 7 . 1 1 92 92 VAL N N 92 122.230 122.230 116.103 6.127 17717 6479 1 7 . 1 1 92 92 VAL HA H 92 3.837 3.837 3.925 -0.088 17717 6480 1 7 . 1 1 92 92 VAL CA C 92 65.900 65.900 66.496 -0.596 17717 6481 1 7 . 1 1 92 92 VAL CB C 92 29.200 29.200 32.063 -2.863 17717 6482 1 7 . 1 1 92 92 VAL H H 92 8.420 8.420 8.299 0.121 17717 6483 1 7 . 1 1 93 93 LYS N N 93 121.300 121.300 118.337 2.963 17717 6484 1 7 . 1 1 93 93 LYS HA H 93 3.836 3.836 4.218 -0.382 17717 6485 1 7 . 1 1 93 93 LYS CA C 93 59.900 59.900 58.777 1.123 17717 6486 1 7 . 1 1 93 93 LYS CB C 93 31.277 31.277 31.991 -0.714 17717 6487 1 7 . 1 1 93 93 LYS H H 93 9.000 9.000 7.697 1.303 17717 6488 1 7 . 1 1 94 94 GLN N N 94 116.900 116.900 116.866 0.034 17717 6489 1 7 . 1 1 94 94 GLN HA H 94 4.094 4.094 4.293 -0.199 17717 6490 1 7 . 1 1 94 94 GLN CA C 94 57.731 57.731 57.629 0.102 17717 6491 1 7 . 1 1 94 94 GLN CB C 94 27.700 27.700 28.623 -0.923 17717 6492 1 7 . 1 1 94 94 GLN H H 94 7.320 7.320 7.646 -0.326 17717 6493 1 7 . 1 1 95 95 LYS N N 95 119.190 119.190 118.926 0.264 17717 6494 1 7 . 1 1 95 95 LYS HA H 95 4.137 4.137 4.265 -0.128 17717 6495 1 7 . 1 1 95 95 LYS CA C 95 57.700 57.700 58.773 -1.073 17717 6496 1 7 . 1 1 95 95 LYS CB C 95 31.800 31.800 33.295 -1.496 17717 6497 1 7 . 1 1 95 95 LYS H H 95 7.590 7.590 7.613 -0.023 17717 6498 1 7 . 1 1 96 96 VAL N N 96 111.000 111.000 117.293 -6.293 17717 6499 1 7 . 1 1 96 96 VAL HA H 96 4.138 4.138 3.717 0.421 17717 6500 1 7 . 1 1 96 96 VAL CA C 96 61.600 61.600 65.343 -3.743 17717 6501 1 7 . 1 1 96 96 VAL CB C 96 31.500 31.500 31.411 0.089 17717 6502 1 7 . 1 1 96 96 VAL H H 96 7.960 7.960 7.945 0.015 17717 6503 1 7 . 1 1 97 97 GLN N N 97 122.210 122.210 120.297 1.913 17717 6504 1 7 . 1 1 97 97 GLN HA H 97 4.030 4.030 3.991 0.039 17717 6505 1 7 . 1 1 97 97 GLN CA C 97 59.226 59.226 58.912 0.314 17717 6506 1 7 . 1 1 97 97 GLN CB C 97 24.578 24.578 27.014 -2.436 17717 6507 1 7 . 1 1 97 97 GLN H H 97 7.380 7.380 8.329 -0.949 17717 6508 1 7 . 1 1 98 98 PRO CA C 98 65.400 65.400 63.661 1.739 17717 6509 1 7 . 1 1 98 98 PRO CB C 98 30.336 30.336 32.522 -2.186 17717 6510 1 7 . 1 1 99 99 TYR N N 99 116.900 116.900 115.753 1.147 17717 6511 1 7 . 1 1 99 99 TYR HA H 99 4.480 4.480 4.170 0.310 17717 6512 1 7 . 1 1 99 99 TYR CA C 99 58.446 58.446 58.355 0.091 17717 6513 1 7 . 1 1 99 99 TYR CB C 99 36.344 36.344 35.911 0.433 17717 6514 1 7 . 1 1 99 99 TYR H H 99 7.100 7.100 8.126 -1.026 17717 6515 1 7 . 1 1 100 100 LEU N N 100 123.270 123.270 124.624 -1.354 17717 6516 1 7 . 1 1 100 100 LEU HA H 100 3.964 3.964 4.623 -0.659 17717 6517 1 7 . 1 1 100 100 LEU CA C 100 57.300 57.300 55.459 1.841 17717 6518 1 7 . 1 1 100 100 LEU CB C 100 40.950 40.950 42.846 -1.896 17717 6519 1 7 . 1 1 100 100 LEU H H 100 7.500 7.500 8.239 -0.739 17717 6520 1 7 . 1 1 101 101 ASP N N 101 119.500 119.500 118.683 0.817 17717 6521 1 7 . 1 1 101 101 ASP HA H 101 3.810 3.810 4.627 -0.817 17717 6522 1 7 . 1 1 101 101 ASP CA C 101 58.200 58.200 54.431 3.769 17717 6523 1 7 . 1 1 101 101 ASP CB C 101 39.100 39.100 39.827 -0.727 17717 6524 1 7 . 1 1 101 101 ASP H H 101 8.450 8.450 8.137 0.313 17717 6525 1 7 . 1 1 102 102 GLU N N 102 121.221 121.221 121.516 -0.295 17717 6526 1 7 . 1 1 102 102 GLU HA H 102 4.222 4.222 4.052 0.170 17717 6527 1 7 . 1 1 102 102 GLU CA C 102 59.200 59.200 58.795 0.405 17717 6528 1 7 . 1 1 102 102 GLU CB C 102 31.100 31.100 28.680 2.420 17717 6529 1 7 . 1 1 102 102 GLU H H 102 8.190 8.190 8.556 -0.366 17717 6530 1 7 . 1 1 103 103 PHE N N 103 124.065 124.065 120.608 3.457 17717 6531 1 7 . 1 1 103 103 PHE HA H 103 4.520 4.520 4.221 0.299 17717 6532 1 7 . 1 1 103 103 PHE CA C 103 57.183 57.183 60.126 -2.943 17717 6533 1 7 . 1 1 103 103 PHE CB C 103 38.608 38.608 37.752 0.856 17717 6534 1 7 . 1 1 103 103 PHE H H 103 8.170 8.170 7.247 0.923 17717 6535 1 7 . 1 1 104 104 GLN N N 104 123.272 123.272 118.008 5.264 17717 6536 1 7 . 1 1 104 104 GLN HA H 104 4.222 4.222 3.972 0.250 17717 6537 1 7 . 1 1 104 104 GLN CA C 104 55.460 55.460 58.416 -2.956 17717 6538 1 7 . 1 1 104 104 GLN CB C 104 29.200 29.200 28.733 0.467 17717 6539 1 7 . 1 1 104 104 GLN H H 104 8.030 8.030 8.482 -0.452 17717 6540 1 7 . 1 1 105 105 LYS N N 105 119.600 119.600 120.807 -1.207 17717 6541 1 7 . 1 1 105 105 LYS HA H 105 4.136 4.136 4.118 0.018 17717 6542 1 7 . 1 1 105 105 LYS CA C 105 57.830 57.830 58.929 -1.099 17717 6543 1 7 . 1 1 105 105 LYS CB C 105 32.220 32.220 32.171 0.049 17717 6544 1 7 . 1 1 105 105 LYS H H 105 7.800 7.800 8.089 -0.289 17717 6545 1 7 . 1 1 106 106 LYS N N 106 117.960 117.960 121.242 -3.282 17717 6546 1 7 . 1 1 106 106 LYS HA H 106 4.093 4.093 4.096 -0.003 17717 6547 1 7 . 1 1 106 106 LYS CA C 106 57.860 57.860 59.289 -1.429 17717 6548 1 7 . 1 1 106 106 LYS CB C 106 32.080 32.080 31.910 0.170 17717 6549 1 7 . 1 1 106 106 LYS H H 106 7.740 7.740 7.953 -0.213 17717 6550 1 7 . 1 1 107 107 TRP N N 107 119.320 119.320 119.418 -0.098 17717 6551 1 7 . 1 1 107 107 TRP HA H 107 4.310 4.310 4.351 -0.041 17717 6552 1 7 . 1 1 107 107 TRP CA C 107 54.900 54.900 59.914 -5.014 17717 6553 1 7 . 1 1 107 107 TRP CB C 107 28.400 28.400 29.441 -1.041 17717 6554 1 7 . 1 1 107 107 TRP H H 107 8.390 8.390 7.687 0.703 17717 6555 1 7 . 1 1 108 108 LYS N N 108 120.390 120.390 119.771 0.619 17717 6556 1 7 . 1 1 108 108 LYS HA H 108 4.350 4.350 3.787 0.563 17717 6557 1 7 . 1 1 108 108 LYS CA C 108 58.170 58.170 58.165 0.005 17717 6558 1 7 . 1 1 108 108 LYS CB C 108 30.250 30.250 32.156 -1.906 17717 6559 1 7 . 1 1 108 108 LYS H H 108 7.420 7.420 7.989 -0.569 17717 6560 1 7 . 1 1 109 109 GLU N N 109 120.220 120.220 120.342 -0.122 17717 6561 1 7 . 1 1 109 109 GLU HA H 109 3.922 3.922 3.972 -0.050 17717 6562 1 7 . 1 1 109 109 GLU CA C 109 58.230 58.230 59.517 -1.287 17717 6563 1 7 . 1 1 109 109 GLU CB C 109 29.230 29.230 29.878 -0.648 17717 6564 1 7 . 1 1 109 109 GLU H H 109 7.800 7.800 7.566 0.234 17717 6565 1 7 . 1 1 110 110 ASP N N 110 121.678 121.678 119.753 1.925 17717 6566 1 7 . 1 1 110 110 ASP HA H 110 4.096 4.096 4.199 -0.103 17717 6567 1 7 . 1 1 110 110 ASP CA C 110 57.514 57.514 57.373 0.141 17717 6568 1 7 . 1 1 110 110 ASP CB C 110 40.005 40.005 40.608 -0.603 17717 6569 1 7 . 1 1 110 110 ASP H H 110 8.220 8.220 8.332 -0.112 17717 6570 1 7 . 1 1 111 111 VAL N N 111 123.537 123.537 117.064 6.473 17717 6571 1 7 . 1 1 111 111 VAL CA C 111 66.380 66.380 66.241 0.139 17717 6572 1 7 . 1 1 111 111 VAL CB C 111 30.800 30.800 30.833 -0.033 17717 6573 1 7 . 1 1 111 111 VAL H H 111 9.170 9.170 7.219 1.951 17717 6574 1 7 . 1 1 112 112 GLU N N 112 120.200 120.200 120.591 -0.391 17717 6575 1 7 . 1 1 112 112 GLU HA H 112 4.179 4.179 3.969 0.210 17717 6576 1 7 . 1 1 112 112 GLU CA C 112 58.431 58.431 59.394 -0.963 17717 6577 1 7 . 1 1 112 112 GLU CB C 112 27.878 27.878 29.488 -1.610 17717 6578 1 7 . 1 1 112 112 GLU H H 112 7.540 7.540 7.419 0.121 17717 6579 1 7 . 1 1 113 113 LEU N N 113 120.815 120.815 118.516 2.299 17717 6580 1 7 . 1 1 113 113 LEU HA H 113 4.439 4.439 3.737 0.702 17717 6581 1 7 . 1 1 113 113 LEU CA C 113 53.800 53.800 57.600 -3.800 17717 6582 1 7 . 1 1 113 113 LEU CB C 113 41.060 41.060 40.623 0.437 17717 6583 1 7 . 1 1 113 113 LEU H H 113 7.900 7.900 7.449 0.451 17717 6584 1 7 . 1 1 114 114 TYR N N 114 120.920 120.920 119.369 1.551 17717 6585 1 7 . 1 1 114 114 TYR HA H 114 4.520 4.520 4.037 0.483 17717 6586 1 7 . 1 1 114 114 TYR CA C 114 56.942 56.942 60.830 -3.888 17717 6587 1 7 . 1 1 114 114 TYR CB C 114 37.834 37.834 38.129 -0.295 17717 6588 1 7 . 1 1 114 114 TYR H H 114 8.370 8.370 8.043 0.327 17717 6589 1 7 . 1 1 115 115 ARG N N 115 118.260 118.260 117.772 0.488 17717 6590 1 7 . 1 1 115 115 ARG HA H 115 4.820 4.820 3.920 0.900 17717 6591 1 7 . 1 1 115 115 ARG CA C 115 55.700 55.700 59.737 -4.037 17717 6592 1 7 . 1 1 115 115 ARG CB C 115 30.600 30.600 29.727 0.873 17717 6593 1 7 . 1 1 115 115 ARG H H 115 7.630 7.630 7.759 -0.129 17717 6594 1 7 . 1 1 116 116 GLN N N 116 116.670 116.670 117.106 -0.436 17717 6595 1 7 . 1 1 116 116 GLN HA H 116 4.480 4.480 4.119 0.361 17717 6596 1 7 . 1 1 116 116 GLN CA C 116 57.100 57.100 58.029 -0.929 17717 6597 1 7 . 1 1 116 116 GLN CB C 116 28.060 28.060 28.370 -0.310 17717 6598 1 7 . 1 1 116 116 GLN H H 116 7.980 7.980 7.384 0.596 17717 6599 1 7 . 1 1 117 117 LYS N N 117 119.200 119.200 120.266 -1.066 17717 6600 1 7 . 1 1 117 117 LYS HA H 117 4.211 4.211 3.934 0.277 17717 6601 1 7 . 1 1 117 117 LYS CA C 117 56.700 56.700 58.485 -1.785 17717 6602 1 7 . 1 1 117 117 LYS CB C 117 32.100 32.100 31.538 0.562 17717 6603 1 7 . 1 1 117 117 LYS H H 117 7.780 7.780 7.472 0.308 17717 6604 1 7 . 1 1 118 118 ALA N N 118 122.740 122.740 119.861 2.879 17717 6605 1 7 . 1 1 118 118 ALA HA H 118 4.179 4.179 4.010 0.169 17717 6606 1 7 . 1 1 118 118 ALA CA C 118 52.100 52.100 53.594 -1.494 17717 6607 1 7 . 1 1 118 118 ALA CB C 118 18.100 18.100 19.050 -0.951 17717 6608 1 7 . 1 1 118 118 ALA H H 118 8.100 8.100 8.174 -0.074 17717 6609 1 7 . 1 1 119 119 SER N N 119 115.840 115.840 114.513 1.327 17717 6610 1 7 . 1 1 119 119 SER HA H 119 4.210 4.210 4.884 -0.674 17717 6611 1 7 . 1 1 119 119 SER CA C 119 55.900 55.900 54.421 1.479 17717 6612 1 7 . 1 1 119 119 SER CB C 119 62.900 62.900 63.654 -0.754 17717 6613 1 7 . 1 1 119 119 SER H H 119 7.800 7.800 7.533 0.267 17717 6614 1 7 . 1 1 120 120 PRO CA C 120 63.074 63.074 63.134 -0.060 17717 6615 1 7 . 1 1 120 120 PRO CB C 120 31.408 31.408 31.591 -0.183 17717 6616 1 7 . 1 1 121 121 GLN N N 121 120.800 120.800 126.919 -6.119 17717 6617 1 7 . 1 1 121 121 GLN HA H 121 4.350 4.350 4.010 0.340 17717 6618 1 7 . 1 1 121 121 GLN CA C 121 55.800 55.800 59.062 -3.262 17717 6619 1 7 . 1 1 121 121 GLN CB C 121 28.300 28.300 27.732 0.568 17717 6620 1 7 . 1 1 121 121 GLN H H 121 8.450 8.450 8.375 0.075 17717 6621 1 7 . 1 1 122 122 GLY N N 122 109.991 109.991 107.039 2.952 17717 6622 1 7 . 1 1 122 122 GLY CA C 122 44.500 44.500 46.208 -1.708 17717 6623 1 7 . 1 1 122 122 GLY H H 122 8.380 8.380 8.876 -0.496 17717 6624 1 7 . 1 1 123 123 ALA N N 123 124.866 124.866 125.744 -0.878 17717 6625 1 7 . 1 1 123 123 ALA HA H 123 4.280 4.280 4.096 0.184 17717 6626 1 7 . 1 1 123 123 ALA CA C 123 52.440 52.440 54.843 -2.403 17717 6627 1 7 . 1 1 123 123 ALA CB C 123 18.530 18.530 18.706 -0.176 17717 6628 1 7 . 1 1 123 123 ALA H H 123 8.200 8.200 8.087 0.113 17717 6629 1 7 . 1 1 124 124 GLU N N 124 120.000 120.000 117.802 2.198 17717 6630 1 7 . 1 1 124 124 GLU HA H 124 4.265 4.265 4.142 0.123 17717 6631 1 7 . 1 1 124 124 GLU CA C 124 56.533 56.533 58.258 -1.725 17717 6632 1 7 . 1 1 124 124 GLU CB C 124 29.150 29.150 29.541 -0.391 17717 6633 1 7 . 1 1 124 124 GLU H H 124 8.510 8.510 7.689 0.821 17717 6634 1 7 . 1 1 125 125 LEU N N 125 122.740 122.740 123.785 -1.045 17717 6635 1 7 . 1 1 125 125 LEU HA H 125 4.222 4.222 4.082 0.140 17717 6636 1 7 . 1 1 125 125 LEU CA C 125 55.600 55.600 58.065 -2.465 17717 6637 1 7 . 1 1 125 125 LEU CB C 125 41.500 41.500 41.873 -0.373 17717 6638 1 7 . 1 1 125 125 LEU H H 125 8.110 8.110 8.478 -0.368 17717 6639 1 7 . 1 1 126 126 GLN N N 126 120.616 120.616 116.246 4.370 17717 6640 1 7 . 1 1 126 126 GLN HA H 126 4.140 4.140 4.079 0.061 17717 6641 1 7 . 1 1 126 126 GLN CA C 126 56.600 56.600 58.627 -2.027 17717 6642 1 7 . 1 1 126 126 GLN CB C 126 28.200 28.200 28.143 0.057 17717 6643 1 7 . 1 1 126 126 GLN H H 126 8.190 8.190 8.217 -0.027 17717 6644 1 7 . 1 1 127 127 GLU N N 127 121.221 121.221 121.734 -0.513 17717 6645 1 7 . 1 1 127 127 GLU HA H 127 4.480 4.480 4.095 0.385 17717 6646 1 7 . 1 1 127 127 GLU CA C 127 57.800 57.800 59.509 -1.709 17717 6647 1 7 . 1 1 127 127 GLU CB C 127 28.000 28.000 29.473 -1.473 17717 6648 1 7 . 1 1 127 127 GLU H H 127 8.130 8.130 7.890 0.240 17717 6649 1 7 . 1 1 128 128 SER N N 128 117.960 117.960 115.367 2.593 17717 6650 1 7 . 1 1 128 128 SER HA H 128 4.140 4.140 4.500 -0.360 17717 6651 1 7 . 1 1 128 128 SER CA C 128 57.800 57.800 61.214 -3.414 17717 6652 1 7 . 1 1 128 128 SER CB C 128 63.860 63.860 63.398 0.462 17717 6653 1 7 . 1 1 128 128 SER H H 128 8.580 8.580 8.521 0.059 17717 6654 1 7 . 1 1 129 129 ALA N N 129 132.300 132.300 125.349 6.951 17717 6655 1 7 . 1 1 129 129 ALA CA C 129 53.505 53.505 54.263 -0.758 17717 6656 1 7 . 1 1 129 129 ALA CB C 129 18.600 18.600 18.799 -0.199 17717 6657 1 7 . 1 1 129 129 ALA H H 129 7.980 7.980 7.909 0.071 17717 6658 1 7 . 1 1 130 130 ARG N N 130 119.553 119.553 117.205 2.348 17717 6659 1 7 . 1 1 130 130 ARG HA H 130 4.274 4.274 4.553 -0.279 17717 6660 1 7 . 1 1 130 130 ARG CA C 130 55.300 55.300 55.775 -0.475 17717 6661 1 7 . 1 1 130 130 ARG CB C 130 31.600 31.600 31.385 0.215 17717 6662 1 7 . 1 1 130 130 ARG H H 130 8.150 8.150 7.477 0.673 17717 6663 1 7 . 1 1 131 131 GLN N N 131 117.960 117.960 118.552 -0.592 17717 6664 1 7 . 1 1 131 131 GLN HA H 131 4.350 4.350 4.469 -0.119 17717 6665 1 7 . 1 1 131 131 GLN CA C 131 56.066 56.066 56.190 -0.124 17717 6666 1 7 . 1 1 131 131 GLN CB C 131 29.000 29.000 29.285 -0.285 17717 6667 1 7 . 1 1 131 131 GLN H H 131 7.880 7.880 7.631 0.249 17717 6668 1 7 . 1 1 132 132 LYS N N 132 121.357 121.357 121.347 0.010 17717 6669 1 7 . 1 1 132 132 LYS HA H 132 4.136 4.136 4.058 0.078 17717 6670 1 7 . 1 1 132 132 LYS CA C 132 56.800 56.800 59.418 -2.618 17717 6671 1 7 . 1 1 132 132 LYS CB C 132 31.100 31.100 32.408 -1.308 17717 6672 1 7 . 1 1 132 132 LYS H H 132 7.892 7.892 8.866 -0.974 17717 6673 1 7 . 1 1 133 133 LEU N N 133 120.620 120.620 111.528 9.092 17717 6674 1 7 . 1 1 133 133 LEU HA H 133 4.480 4.480 4.460 0.020 17717 6675 1 7 . 1 1 133 133 LEU CA C 133 53.900 53.900 54.598 -0.698 17717 6676 1 7 . 1 1 133 133 LEU CB C 133 41.230 41.230 42.089 -0.859 17717 6677 1 7 . 1 1 133 133 LEU H H 133 8.320 8.320 7.552 0.768 17717 6678 1 7 . 1 1 134 134 GLN N N 134 121.147 121.147 121.520 -0.373 17717 6679 1 7 . 1 1 134 134 GLN HA H 134 4.222 4.222 4.370 -0.148 17717 6680 1 7 . 1 1 134 134 GLN CA C 134 56.146 56.146 55.621 0.525 17717 6681 1 7 . 1 1 134 134 GLN CB C 134 31.813 31.813 29.203 2.610 17717 6682 1 7 . 1 1 134 134 GLN H H 134 7.870 7.870 8.191 -0.321 17717 6683 1 7 . 1 1 135 135 GLU N N 135 121.678 121.678 118.877 2.801 17717 6684 1 7 . 1 1 135 135 GLU HA H 135 4.136 4.136 4.448 -0.312 17717 6685 1 7 . 1 1 135 135 GLU CA C 135 55.904 55.904 55.076 0.828 17717 6686 1 7 . 1 1 135 135 GLU CB C 135 28.953 28.953 30.312 -1.359 17717 6687 1 7 . 1 1 135 135 GLU H H 135 7.892 7.892 8.516 -0.624 17717 6688 1 7 . 1 1 136 136 LEU N N 136 121.357 121.357 120.400 0.957 17717 6689 1 7 . 1 1 136 136 LEU HA H 136 4.351 4.351 4.284 0.067 17717 6690 1 7 . 1 1 136 136 LEU CA C 136 54.765 54.765 55.919 -1.154 17717 6691 1 7 . 1 1 136 136 LEU CB C 136 41.823 41.823 42.356 -0.533 17717 6692 1 7 . 1 1 136 136 LEU H H 136 7.962 7.962 8.223 -0.261 17717 6693 1 7 . 1 1 137 137 GLN N N 137 124.866 124.866 116.789 8.077 17717 6694 1 7 . 1 1 137 137 GLN HA H 137 4.222 4.222 4.355 -0.133 17717 6695 1 7 . 1 1 137 137 GLN CA C 137 56.300 56.300 56.383 -0.083 17717 6696 1 7 . 1 1 137 137 GLN CB C 137 28.000 28.000 29.593 -1.593 17717 6697 1 7 . 1 1 137 137 GLN H H 137 7.938 7.938 8.464 -0.526 17717 6698 1 7 . 1 1 138 138 GLY N N 138 111.054 111.054 107.379 3.675 17717 6699 1 7 . 1 1 138 138 GLY CA C 138 44.800 44.800 45.924 -1.124 17717 6700 1 7 . 1 1 138 138 GLY H H 138 8.410 8.410 8.188 0.222 17717 6701 1 7 . 1 1 139 139 ARG N N 139 116.366 116.366 119.871 -3.505 17717 6702 1 7 . 1 1 139 139 ARG HA H 139 4.230 4.230 4.481 -0.251 17717 6703 1 7 . 1 1 139 139 ARG CA C 139 56.300 56.300 56.216 0.084 17717 6704 1 7 . 1 1 139 139 ARG CB C 139 28.700 28.700 31.222 -2.522 17717 6705 1 7 . 1 1 139 139 ARG H H 139 8.080 8.080 7.819 0.261 17717 6706 1 7 . 1 1 140 140 LEU N N 140 126.460 126.460 122.366 4.094 17717 6707 1 7 . 1 1 140 140 LEU HA H 140 4.220 4.220 3.997 0.223 17717 6708 1 7 . 1 1 140 140 LEU CA C 140 56.500 56.500 55.004 1.496 17717 6709 1 7 . 1 1 140 140 LEU CB C 140 41.496 41.496 40.584 0.912 17717 6710 1 7 . 1 1 140 140 LEU H H 140 7.740 7.740 8.226 -0.486 17717 6711 1 7 . 1 1 141 141 SER N N 141 119.190 119.190 112.731 6.459 17717 6712 1 7 . 1 1 141 141 SER HA H 141 4.390 4.390 4.213 0.177 17717 6713 1 7 . 1 1 141 141 SER CA C 141 56.384 56.384 58.028 -1.644 17717 6714 1 7 . 1 1 141 141 SER CB C 141 62.996 62.996 62.475 0.521 17717 6715 1 7 . 1 1 141 141 SER H H 141 8.430 8.430 8.089 0.341 17717 6716 1 7 . 1 1 142 142 PRO CA C 142 64.840 64.840 65.154 -0.314 17717 6717 1 7 . 1 1 142 142 PRO CB C 142 31.345 31.345 31.500 -0.155 17717 6718 1 7 . 1 1 143 143 VAL N N 143 116.900 116.900 118.094 -1.194 17717 6719 1 7 . 1 1 143 143 VAL HA H 143 4.100 4.100 3.892 0.208 17717 6720 1 7 . 1 1 143 143 VAL CA C 143 63.800 63.800 64.608 -0.808 17717 6721 1 7 . 1 1 143 143 VAL CB C 143 31.400 31.400 30.243 1.157 17717 6722 1 7 . 1 1 143 143 VAL H H 143 7.780 7.780 7.957 -0.177 17717 6723 1 7 . 1 1 144 144 ALA N N 144 125.700 125.700 122.028 3.672 17717 6724 1 7 . 1 1 144 144 ALA HA H 144 4.390 4.390 3.978 0.412 17717 6725 1 7 . 1 1 144 144 ALA CA C 144 54.200 54.200 54.975 -0.775 17717 6726 1 7 . 1 1 144 144 ALA CB C 144 18.361 18.361 18.376 -0.015 17717 6727 1 7 . 1 1 144 144 ALA H H 144 7.970 7.970 7.604 0.366 17717 6728 1 7 . 1 1 145 145 GLU N N 145 120.000 120.000 119.062 0.938 17717 6729 1 7 . 1 1 145 145 GLU HA H 145 3.920 3.920 4.029 -0.109 17717 6730 1 7 . 1 1 145 145 GLU CA C 145 59.400 59.400 59.410 -0.010 17717 6731 1 7 . 1 1 145 145 GLU CB C 145 28.400 28.400 28.993 -0.593 17717 6732 1 7 . 1 1 145 145 GLU H H 145 8.600 8.600 8.043 0.557 17717 6733 1 7 . 1 1 146 146 GLU N N 146 119.022 119.022 119.195 -0.173 17717 6734 1 7 . 1 1 146 146 GLU HA H 146 4.050 4.050 4.126 -0.076 17717 6735 1 7 . 1 1 146 146 GLU CA C 146 58.422 58.422 58.465 -0.042 17717 6736 1 7 . 1 1 146 146 GLU CB C 146 28.172 28.172 28.945 -0.773 17717 6737 1 7 . 1 1 146 146 GLU H H 146 8.070 8.070 8.198 -0.128 17717 6738 1 7 . 1 1 147 147 PHE N N 147 117.023 117.023 120.902 -3.879 17717 6739 1 7 . 1 1 147 147 PHE HA H 147 4.523 4.523 4.158 0.365 17717 6740 1 7 . 1 1 147 147 PHE CA C 147 58.592 58.592 62.065 -3.473 17717 6741 1 7 . 1 1 147 147 PHE CB C 147 40.344 40.344 39.331 1.014 17717 6742 1 7 . 1 1 147 147 PHE H H 147 8.161 8.161 8.381 -0.220 17717 6743 1 7 . 1 1 148 148 ARG N N 148 120.085 120.085 119.100 0.985 17717 6744 1 7 . 1 1 148 148 ARG HA H 148 4.136 4.136 3.980 0.156 17717 6745 1 7 . 1 1 148 148 ARG CA C 148 57.700 57.700 59.617 -1.917 17717 6746 1 7 . 1 1 148 148 ARG CB C 148 30.400 30.400 30.026 0.374 17717 6747 1 7 . 1 1 148 148 ARG H H 148 8.325 8.325 8.506 -0.181 17717 6748 1 7 . 1 1 149 149 ASP N N 149 118.530 118.530 118.442 0.088 17717 6749 1 7 . 1 1 149 149 ASP HA H 149 4.310 4.310 4.499 -0.189 17717 6750 1 7 . 1 1 149 149 ASP CA C 149 54.600 54.600 57.157 -2.557 17717 6751 1 7 . 1 1 149 149 ASP CB C 149 41.000 41.000 40.966 0.034 17717 6752 1 7 . 1 1 149 149 ASP H H 149 8.270 8.270 8.351 -0.081 17717 6753 1 7 . 1 1 150 150 ARG N N 150 126.460 126.460 120.025 6.435 17717 6754 1 7 . 1 1 150 150 ARG HA H 150 4.180 4.180 4.201 -0.021 17717 6755 1 7 . 1 1 150 150 ARG CA C 150 56.850 56.850 58.104 -1.254 17717 6756 1 7 . 1 1 150 150 ARG CB C 150 30.451 30.451 29.912 0.539 17717 6757 1 7 . 1 1 150 150 ARG H H 150 7.860 7.860 8.015 -0.155 17717 6758 1 7 . 1 1 152 152 ARG CA C 152 55.764 55.764 59.565 -3.801 17717 6759 1 7 . 1 1 152 152 ARG CB C 152 30.014 30.014 30.367 -0.353 17717 6760 1 7 . 1 1 153 153 THR N N 153 115.832 115.832 115.134 0.698 17717 6761 1 7 . 1 1 153 153 THR HA H 153 4.350 4.350 4.013 0.337 17717 6762 1 7 . 1 1 153 153 THR CA C 153 61.200 61.200 66.912 -5.712 17717 6763 1 7 . 1 1 153 153 THR CB C 153 69.400 69.400 68.370 1.030 17717 6764 1 7 . 1 1 153 153 THR H H 153 8.170 8.170 7.990 0.180 17717 6765 1 7 . 1 1 154 154 HIS N N 154 129.120 129.120 122.118 7.002 17717 6766 1 7 . 1 1 154 154 HIS HA H 154 4.650 4.650 4.224 0.426 17717 6767 1 7 . 1 1 154 154 HIS CA C 154 56.800 56.800 58.933 -2.133 17717 6768 1 7 . 1 1 154 154 HIS CB C 154 30.400 30.400 29.511 0.889 17717 6769 1 7 . 1 1 154 154 HIS H H 154 7.950 7.950 8.215 -0.265 17717 6770 1 7 . 1 1 155 155 VAL N N 155 120.620 120.620 118.529 2.091 17717 6771 1 7 . 1 1 155 155 VAL HA H 155 4.012 4.012 3.304 0.708 17717 6772 1 7 . 1 1 155 155 VAL CA C 155 62.300 62.300 66.016 -3.716 17717 6773 1 7 . 1 1 155 155 VAL CB C 155 31.600 31.600 30.725 0.875 17717 6774 1 7 . 1 1 155 155 VAL H H 155 7.910 7.910 7.375 0.535 17717 6775 1 7 . 1 1 156 156 ASP N N 156 121.147 121.147 120.702 0.445 17717 6776 1 7 . 1 1 156 156 ASP HA H 156 4.440 4.440 4.319 0.121 17717 6777 1 7 . 1 1 156 156 ASP CA C 156 57.384 57.384 57.672 -0.289 17717 6778 1 7 . 1 1 156 156 ASP CB C 156 40.140 40.140 40.939 -0.799 17717 6779 1 7 . 1 1 156 156 ASP H H 156 8.100 8.100 8.421 -0.321 17717 6780 1 7 . 1 1 157 157 SER N N 157 116.366 116.366 117.064 -0.698 17717 6781 1 7 . 1 1 157 157 SER HA H 157 4.220 4.220 4.137 0.083 17717 6782 1 7 . 1 1 157 157 SER CA C 157 61.500 61.500 61.944 -0.444 17717 6783 1 7 . 1 1 157 157 SER CB C 157 62.500 62.500 63.318 -0.818 17717 6784 1 7 . 1 1 157 157 SER H H 157 8.700 8.700 7.718 0.982 17717 6785 1 7 . 1 1 158 158 LEU N N 158 123.272 123.272 122.316 0.956 17717 6786 1 7 . 1 1 158 158 LEU HA H 158 4.520 4.520 4.070 0.450 17717 6787 1 7 . 1 1 158 158 LEU CA C 158 57.140 57.140 58.479 -1.339 17717 6788 1 7 . 1 1 158 158 LEU CB C 158 40.900 40.900 41.841 -0.941 17717 6789 1 7 . 1 1 158 158 LEU H H 158 7.790 7.790 8.200 -0.410 17717 6790 1 7 . 1 1 159 159 ARG N N 159 119.553 119.553 116.478 3.075 17717 6791 1 7 . 1 1 159 159 ARG HA H 159 4.530 4.530 4.118 0.412 17717 6792 1 7 . 1 1 159 159 ARG CA C 159 56.800 56.800 58.883 -2.083 17717 6793 1 7 . 1 1 159 159 ARG CB C 159 29.000 29.000 29.946 -0.946 17717 6794 1 7 . 1 1 159 159 ARG H H 159 8.650 8.650 7.919 0.731 17717 6795 1 7 . 1 1 160 160 THR N N 160 115.304 115.304 114.739 0.565 17717 6796 1 7 . 1 1 160 160 THR HA H 160 3.880 3.880 4.101 -0.221 17717 6797 1 7 . 1 1 160 160 THR CA C 160 65.300 65.300 65.878 -0.578 17717 6798 1 7 . 1 1 160 160 THR CB C 160 68.900 68.900 68.323 0.577 17717 6799 1 7 . 1 1 160 160 THR H H 160 8.100 8.100 7.401 0.699 17717 6800 1 7 . 1 1 161 161 GLN N N 161 122.440 122.440 117.821 4.619 17717 6801 1 7 . 1 1 161 161 GLN HA H 161 4.220 4.220 4.477 -0.257 17717 6802 1 7 . 1 1 161 161 GLN CA C 161 56.900 56.900 57.505 -0.605 17717 6803 1 7 . 1 1 161 161 GLN CB C 161 26.160 26.160 28.954 -2.794 17717 6804 1 7 . 1 1 161 161 GLN H H 161 8.070 8.070 7.848 0.222 17717 6805 1 7 . 1 1 162 162 LEU N N 162 115.398 115.398 120.880 -5.482 17717 6806 1 7 . 1 1 162 162 LEU HA H 162 4.220 4.220 4.360 -0.140 17717 6807 1 7 . 1 1 162 162 LEU CA C 162 56.500 56.500 56.108 0.391 17717 6808 1 7 . 1 1 162 162 LEU CB C 162 41.000 41.000 40.426 0.574 17717 6809 1 7 . 1 1 162 162 LEU H H 162 7.980 7.980 7.834 0.146 17717 6810 1 7 . 1 1 163 163 ALA N N 163 122.210 122.210 123.457 -1.247 17717 6811 1 7 . 1 1 163 163 ALA HA H 163 4.260 4.260 4.066 0.194 17717 6812 1 7 . 1 1 163 163 ALA CA C 163 56.560 56.560 57.000 -0.440 17717 6813 1 7 . 1 1 163 163 ALA CB C 163 15.000 15.000 16.036 -1.036 17717 6814 1 7 . 1 1 163 163 ALA H H 163 7.460 7.460 8.343 -0.883 17717 6815 1 7 . 1 1 164 164 PRO CA C 164 62.800 62.800 65.422 -2.622 17717 6816 1 7 . 1 1 164 164 PRO CB C 164 31.500 31.500 31.459 0.041 17717 6817 1 7 . 1 1 165 165 HIS N N 165 120.080 120.080 117.406 2.674 17717 6818 1 7 . 1 1 165 165 HIS HA H 165 4.390 4.390 4.216 0.174 17717 6819 1 7 . 1 1 165 165 HIS CA C 165 56.000 56.000 60.325 -4.325 17717 6820 1 7 . 1 1 165 165 HIS CB C 165 28.400 28.400 29.616 -1.216 17717 6821 1 7 . 1 1 165 165 HIS H H 165 8.060 8.060 7.928 0.132 17717 6822 1 7 . 1 1 166 166 SER N N 166 116.366 116.366 114.746 1.620 17717 6823 1 7 . 1 1 166 166 SER HA H 166 4.300 4.300 3.942 0.358 17717 6824 1 7 . 1 1 166 166 SER CA C 166 61.200 61.200 61.969 -0.769 17717 6825 1 7 . 1 1 166 166 SER CB C 166 63.000 63.000 62.763 0.237 17717 6826 1 7 . 1 1 166 166 SER H H 166 8.040 8.040 8.389 -0.349 17717 6827 1 7 . 1 1 167 167 GLU N N 167 121.678 121.678 120.668 1.010 17717 6828 1 7 . 1 1 167 167 GLU HA H 167 3.922 3.922 4.071 -0.149 17717 6829 1 7 . 1 1 167 167 GLU CA C 167 62.800 62.800 59.400 3.400 17717 6830 1 7 . 1 1 167 167 GLU CB C 167 31.100 31.100 29.474 1.625 17717 6831 1 7 . 1 1 167 167 GLU H H 167 7.760 7.760 7.748 0.012 17717 6832 1 7 . 1 1 168 168 GLN N N 168 121.147 121.147 119.158 1.989 17717 6833 1 7 . 1 1 168 168 GLN HA H 168 4.320 4.320 4.203 0.117 17717 6834 1 7 . 1 1 168 168 GLN CA C 168 55.300 55.300 57.724 -2.424 17717 6835 1 7 . 1 1 168 168 GLN CB C 168 28.200 28.200 28.690 -0.490 17717 6836 1 7 . 1 1 168 168 GLN H H 168 8.450 8.450 8.409 0.041 17717 6837 1 7 . 1 1 170 170 ARG CA C 170 58.370 58.370 59.442 -1.072 17717 6838 1 7 . 1 1 170 170 ARG CB C 170 28.900 28.900 30.217 -1.317 17717 6839 1 7 . 1 1 171 171 GLU N N 171 117.960 117.960 118.712 -0.752 17717 6840 1 7 . 1 1 171 171 GLU HA H 171 4.140 4.140 4.221 -0.081 17717 6841 1 7 . 1 1 171 171 GLU CA C 171 57.300 57.300 59.373 -2.073 17717 6842 1 7 . 1 1 171 171 GLU CB C 171 29.200 29.200 29.638 -0.438 17717 6843 1 7 . 1 1 171 171 GLU H H 171 7.730 7.730 7.658 0.072 17717 6844 1 7 . 1 1 172 172 SER N N 172 116.366 116.366 116.877 -0.511 17717 6845 1 7 . 1 1 172 172 SER HA H 172 4.270 4.270 4.224 0.046 17717 6846 1 7 . 1 1 172 172 SER CA C 172 58.000 58.000 62.344 -4.344 17717 6847 1 7 . 1 1 172 172 SER CB C 172 63.000 63.000 62.740 0.260 17717 6848 1 7 . 1 1 172 172 SER H H 172 8.320 8.320 8.541 -0.221 17717 6849 1 7 . 1 1 173 173 LEU N N 173 124.866 124.866 122.259 2.607 17717 6850 1 7 . 1 1 173 173 LEU HA H 173 4.352 4.352 4.116 0.236 17717 6851 1 7 . 1 1 173 173 LEU CA C 173 54.540 54.540 57.528 -2.988 17717 6852 1 7 . 1 1 173 173 LEU CB C 173 41.400 41.400 41.344 0.056 17717 6853 1 7 . 1 1 173 173 LEU H H 173 8.260 8.260 7.836 0.424 17717 6854 1 7 . 1 1 174 174 ALA N N 174 126.460 126.460 121.236 5.224 17717 6855 1 7 . 1 1 174 174 ALA HA H 174 4.270 4.270 3.814 0.456 17717 6856 1 7 . 1 1 174 174 ALA CA C 174 55.400 55.400 54.862 0.538 17717 6857 1 7 . 1 1 174 174 ALA CB C 174 17.200 17.200 18.014 -0.814 17717 6858 1 7 . 1 1 174 174 ALA H H 174 8.210 8.210 7.494 0.716 17717 6859 1 7 . 1 1 175 175 GLN N N 175 117.430 117.430 118.157 -0.727 17717 6860 1 7 . 1 1 175 175 GLN HA H 175 4.060 4.060 4.011 0.049 17717 6861 1 7 . 1 1 175 175 GLN CA C 175 58.600 58.600 58.337 0.263 17717 6862 1 7 . 1 1 175 175 GLN CB C 175 27.400 27.400 28.667 -1.267 17717 6863 1 7 . 1 1 175 175 GLN H H 175 8.450 8.450 7.870 0.580 17717 6864 1 7 . 1 1 176 176 ARG N N 176 119.550 119.550 121.030 -1.480 17717 6865 1 7 . 1 1 176 176 ARG HA H 176 4.180 4.180 3.959 0.221 17717 6866 1 7 . 1 1 176 176 ARG CA C 176 56.900 56.900 59.636 -2.736 17717 6867 1 7 . 1 1 176 176 ARG CB C 176 29.300 29.300 30.198 -0.898 17717 6868 1 7 . 1 1 176 176 ARG H H 176 8.070 8.070 8.152 -0.082 17717 6869 1 7 . 1 1 177 177 LEU N N 177 115.840 115.840 116.466 -0.626 17717 6870 1 7 . 1 1 177 177 LEU HA H 177 4.180 4.180 3.905 0.275 17717 6871 1 7 . 1 1 177 177 LEU CA C 177 56.900 56.900 57.946 -1.046 17717 6872 1 7 . 1 1 177 177 LEU CB C 177 40.100 40.100 40.818 -0.718 17717 6873 1 7 . 1 1 177 177 LEU H H 177 8.330 8.330 7.530 0.800 17717 6874 1 7 . 1 1 178 178 ALA N N 178 121.220 121.220 120.446 0.774 17717 6875 1 7 . 1 1 178 178 ALA HA H 178 3.880 3.880 3.959 -0.079 17717 6876 1 7 . 1 1 178 178 ALA CA C 178 54.600 54.600 54.517 0.083 17717 6877 1 7 . 1 1 178 178 ALA CB C 178 16.900 16.900 18.258 -1.358 17717 6878 1 7 . 1 1 178 178 ALA H H 178 8.570 8.570 7.598 0.972 17717 6879 1 7 . 1 1 179 179 GLU N N 179 118.490 118.490 120.079 -1.589 17717 6880 1 7 . 1 1 179 179 GLU HA H 179 4.180 4.180 4.052 0.128 17717 6881 1 7 . 1 1 179 179 GLU CA C 179 56.600 56.600 59.198 -2.598 17717 6882 1 7 . 1 1 179 179 GLU CB C 179 29.000 29.000 29.624 -0.624 17717 6883 1 7 . 1 1 179 179 GLU H H 179 7.680 7.680 7.816 -0.136 17717 6884 1 7 . 1 1 180 180 LEU N N 180 117.730 117.730 116.906 0.824 17717 6885 1 7 . 1 1 180 180 LEU HA H 180 4.265 4.265 4.125 0.140 17717 6886 1 7 . 1 1 180 180 LEU CA C 180 55.020 55.020 57.019 -1.999 17717 6887 1 7 . 1 1 180 180 LEU CB C 180 41.100 41.100 41.737 -0.638 17717 6888 1 7 . 1 1 180 180 LEU H H 180 7.680 7.680 7.386 0.294 17717 6889 1 7 . 1 1 181 181 LYS N N 181 117.400 117.400 118.716 -1.316 17717 6890 1 7 . 1 1 181 181 LYS HA H 181 4.480 4.480 3.973 0.507 17717 6891 1 7 . 1 1 181 181 LYS CA C 181 61.900 61.900 58.369 3.531 17717 6892 1 7 . 1 1 181 181 LYS CB C 181 31.800 31.800 32.695 -0.895 17717 6893 1 7 . 1 1 181 181 LYS H H 181 7.510 7.510 7.822 -0.312 17717 6894 1 7 . 1 1 182 182 SER N N 182 114.010 114.010 112.807 1.203 17717 6895 1 7 . 1 1 182 182 SER HA H 182 4.350 4.350 4.293 0.057 17717 6896 1 7 . 1 1 182 182 SER CA C 182 58.000 58.000 59.671 -1.671 17717 6897 1 7 . 1 1 182 182 SER CB C 182 63.300 63.300 63.883 -0.583 17717 6898 1 7 . 1 1 182 182 SER H H 182 7.920 7.920 7.909 0.011 17717 6899 1 7 . 1 1 183 183 ASN N N 183 123.040 123.040 118.533 4.507 17717 6900 1 7 . 1 1 183 183 ASN HA H 183 4.310 4.310 4.641 -0.331 17717 6901 1 7 . 1 1 183 183 ASN CA C 183 55.115 55.115 52.714 2.401 17717 6902 1 7 . 1 1 183 183 ASN CB C 183 37.838 37.838 38.388 -0.550 17717 6903 1 7 . 1 1 183 183 ASN H H 183 8.250 8.250 7.736 0.514 17717 6904 1 7 . 1 1 184 184 PRO CA C 184 63.180 63.180 64.511 -1.331 17717 6905 1 7 . 1 1 184 184 PRO CB C 184 31.400 31.400 32.336 -0.936 17717 6906 1 7 . 1 1 185 185 THR N N 185 114.240 114.240 111.101 3.139 17717 6907 1 7 . 1 1 185 185 THR HA H 185 4.270 4.270 4.409 -0.139 17717 6908 1 7 . 1 1 185 185 THR CA C 185 61.200 61.200 61.230 -0.030 17717 6909 1 7 . 1 1 185 185 THR CB C 185 69.100 69.100 70.616 -1.516 17717 6910 1 7 . 1 1 185 185 THR H H 185 8.150 8.150 7.699 0.451 17717 6911 1 7 . 1 1 186 186 LEU N N 186 123.270 123.270 121.583 1.687 17717 6912 1 7 . 1 1 186 186 LEU HA H 186 4.350 4.350 4.737 -0.387 17717 6913 1 7 . 1 1 186 186 LEU CA C 186 55.000 55.000 54.447 0.553 17717 6914 1 7 . 1 1 186 186 LEU CB C 186 41.000 41.000 44.999 -3.999 17717 6915 1 7 . 1 1 186 186 LEU H H 186 8.430 8.430 8.223 0.207 17717 6916 1 7 . 1 1 187 187 ASN N N 187 119.020 119.020 124.128 -5.108 17717 6917 1 7 . 1 1 187 187 ASN HA H 187 4.530 4.530 4.866 -0.336 17717 6918 1 7 . 1 1 187 187 ASN CA C 187 53.400 53.400 53.084 0.316 17717 6919 1 7 . 1 1 187 187 ASN CB C 187 37.900 37.900 39.520 -1.620 17717 6920 1 7 . 1 1 187 187 ASN H H 187 8.370 8.370 8.657 -0.287 17717 6921 1 7 . 1 1 188 188 GLU N N 188 123.270 123.270 124.221 -0.951 17717 6922 1 7 . 1 1 188 188 GLU HA H 188 4.000 4.000 4.039 -0.039 17717 6923 1 7 . 1 1 188 188 GLU CA C 188 61.700 61.700 58.831 2.869 17717 6924 1 7 . 1 1 188 188 GLU CB C 188 32.100 32.100 30.309 1.791 17717 6925 1 7 . 1 1 188 188 GLU H H 188 7.870 7.870 8.903 -1.033 17717 6926 1 7 . 1 1 189 189 TYR N N 189 122.210 122.210 115.581 6.629 17717 6927 1 7 . 1 1 189 189 TYR HA H 189 4.440 4.440 4.709 -0.269 17717 6928 1 7 . 1 1 189 189 TYR CA C 189 57.120 57.120 57.471 -0.352 17717 6929 1 7 . 1 1 189 189 TYR CB C 189 40.000 40.000 38.079 1.921 17717 6930 1 7 . 1 1 189 189 TYR H H 189 8.590 8.590 7.945 0.645 17717 6931 1 7 . 1 1 190 190 HIS N N 190 124.866 124.866 119.432 5.434 17717 6932 1 7 . 1 1 190 190 HIS HA H 190 4.780 4.780 4.237 0.543 17717 6933 1 7 . 1 1 190 190 HIS CA C 190 56.000 56.000 57.573 -1.573 17717 6934 1 7 . 1 1 190 190 HIS CB C 190 29.400 29.400 29.958 -0.558 17717 6935 1 7 . 1 1 190 190 HIS H H 190 8.420 8.420 8.679 -0.259 17717 6936 1 7 . 1 1 191 191 SER N N 191 117.429 117.429 113.861 3.568 17717 6937 1 7 . 1 1 191 191 SER HA H 191 4.140 4.140 4.206 -0.066 17717 6938 1 7 . 1 1 191 191 SER CA C 191 58.140 58.140 58.648 -0.508 17717 6939 1 7 . 1 1 191 191 SER CB C 191 63.140 63.140 62.737 0.403 17717 6940 1 7 . 1 1 191 191 SER H H 191 8.270 8.270 7.920 0.350 17717 6941 1 7 . 1 1 192 192 SER N N 192 124.335 124.335 119.527 4.808 17717 6942 1 7 . 1 1 192 192 SER HA H 192 4.730 4.730 4.377 0.353 17717 6943 1 7 . 1 1 192 192 SER CA C 192 59.020 59.020 57.597 1.423 17717 6944 1 7 . 1 1 192 192 SER CB C 192 63.000 63.000 63.692 -0.692 17717 6945 1 7 . 1 1 192 192 SER H H 192 8.010 8.010 8.129 -0.119 17717 6946 1 7 . 1 1 193 193 ALA N N 193 125.930 125.930 121.055 4.875 17717 6947 1 7 . 1 1 193 193 ALA HA H 193 4.310 4.310 3.851 0.459 17717 6948 1 7 . 1 1 193 193 ALA CA C 193 52.300 52.300 53.409 -1.109 17717 6949 1 7 . 1 1 193 193 ALA CB C 193 18.000 18.000 18.036 -0.036 17717 6950 1 7 . 1 1 193 193 ALA H H 193 8.100 8.100 7.832 0.268 17717 6951 1 7 . 1 1 194 194 LYS N N 194 126.460 126.460 118.286 8.174 17717 6952 1 7 . 1 1 194 194 LYS HA H 194 4.220 4.220 4.380 -0.160 17717 6953 1 7 . 1 1 194 194 LYS CA C 194 56.600 56.600 55.488 1.112 17717 6954 1 7 . 1 1 194 194 LYS CB C 194 33.000 33.000 34.143 -1.143 17717 6955 1 7 . 1 1 194 194 LYS H H 194 7.860 7.860 7.526 0.334 17717 6956 1 7 . 1 1 195 195 SER N N 195 117.429 117.429 118.806 -1.377 17717 6957 1 7 . 1 1 195 195 SER HA H 195 4.430 4.430 4.074 0.356 17717 6958 1 7 . 1 1 195 195 SER CA C 195 58.499 58.499 58.991 -0.492 17717 6959 1 7 . 1 1 195 195 SER CB C 195 63.129 63.129 62.032 1.097 17717 6960 1 7 . 1 1 195 195 SER H H 195 8.240 8.240 9.019 -0.779 17717 6961 1 7 . 1 1 196 196 HIS N N 196 122.440 122.440 120.016 2.424 17717 6962 1 7 . 1 1 196 196 HIS HA H 196 4.222 4.222 4.140 0.082 17717 6963 1 7 . 1 1 196 196 HIS CA C 196 55.743 55.743 59.256 -3.513 17717 6964 1 7 . 1 1 196 196 HIS CB C 196 28.566 28.566 30.018 -1.452 17717 6965 1 7 . 1 1 196 196 HIS H H 196 8.044 8.044 8.472 -0.428 17717 6966 1 7 . 1 1 197 197 LEU N N 197 117.429 117.429 118.595 -1.166 17717 6967 1 7 . 1 1 197 197 LEU HA H 197 4.179 4.179 3.976 0.203 17717 6968 1 7 . 1 1 197 197 LEU CA C 197 54.540 54.540 58.208 -3.667 17717 6969 1 7 . 1 1 197 197 LEU CB C 197 40.040 40.040 41.653 -1.613 17717 6970 1 7 . 1 1 197 197 LEU H H 197 8.044 8.044 8.356 -0.312 17717 6971 1 7 . 1 1 198 198 LYS N N 198 117.430 117.430 119.197 -1.767 17717 6972 1 7 . 1 1 198 198 LYS HA H 198 4.140 4.140 3.942 0.198 17717 6973 1 7 . 1 1 198 198 LYS CA C 198 57.600 57.600 59.023 -1.423 17717 6974 1 7 . 1 1 198 198 LYS CB C 198 32.000 32.000 31.621 0.379 17717 6975 1 7 . 1 1 198 198 LYS H H 198 7.510 7.510 7.385 0.125 17717 6976 1 7 . 1 1 199 199 SER N N 199 114.315 114.315 114.971 -0.656 17717 6977 1 7 . 1 1 199 199 SER HA H 199 4.310 4.310 4.029 0.281 17717 6978 1 7 . 1 1 199 199 SER CA C 199 62.000 62.000 60.944 1.056 17717 6979 1 7 . 1 1 199 199 SER CB C 199 63.600 63.600 62.880 0.720 17717 6980 1 7 . 1 1 199 199 SER H H 199 7.930 7.930 8.149 -0.219 17717 6981 1 7 . 1 1 200 200 LEU N N 200 124.335 124.335 122.767 1.568 17717 6982 1 7 . 1 1 200 200 LEU HA H 200 4.260 4.260 4.157 0.103 17717 6983 1 7 . 1 1 200 200 LEU CA C 200 55.200 55.200 57.371 -2.171 17717 6984 1 7 . 1 1 200 200 LEU CB C 200 41.200 41.200 41.849 -0.649 17717 6985 1 7 . 1 1 200 200 LEU H H 200 8.170 8.170 8.034 0.136 17717 6986 1 7 . 1 1 201 201 GLY N N 201 109.990 109.990 106.017 3.973 17717 6987 1 7 . 1 1 201 201 GLY CA C 201 44.700 44.700 46.935 -2.235 17717 6988 1 7 . 1 1 201 201 GLY H H 201 8.290 8.290 8.054 0.236 17717 6989 1 7 . 1 1 202 202 GLU N N 202 126.460 126.460 119.969 6.491 17717 6990 1 7 . 1 1 202 202 GLU HA H 202 4.220 4.220 4.153 0.067 17717 6991 1 7 . 1 1 202 202 GLU CA C 202 56.600 56.600 58.303 -1.703 17717 6992 1 7 . 1 1 202 202 GLU CB C 202 32.800 32.800 30.037 2.763 17717 6993 1 7 . 1 1 202 202 GLU H H 202 7.750 7.750 7.673 0.077 17717 6994 1 7 . 1 1 203 203 LYS CA C 203 55.775 55.775 55.234 0.541 17717 6995 1 7 . 1 1 203 203 LYS CB C 203 32.283 32.283 32.539 -0.256 17717 6996 1 7 . 1 1 204 204 ALA N N 204 125.390 125.390 121.915 3.475 17717 6997 1 7 . 1 1 204 204 ALA HA H 204 4.310 4.310 4.496 -0.186 17717 6998 1 7 . 1 1 204 204 ALA CA C 204 52.000 52.000 50.786 1.214 17717 6999 1 7 . 1 1 204 204 ALA CB C 204 18.400 18.400 21.364 -2.964 17717 7000 1 7 . 1 1 204 204 ALA H H 204 8.180 8.180 7.172 1.008 17717 7001 1 7 . 1 1 205 205 ARG N N 205 121.150 121.150 119.569 1.581 17717 7002 1 7 . 1 1 205 205 ARG HA H 205 4.270 4.270 4.602 -0.332 17717 7003 1 7 . 1 1 205 205 ARG CA C 205 56.384 56.384 53.457 2.927 17717 7004 1 7 . 1 1 205 205 ARG CB C 205 29.193 29.193 30.244 -1.051 17717 7005 1 7 . 1 1 205 205 ARG H H 205 8.350 8.350 8.550 -0.200 17717 7006 1 7 . 1 1 206 206 PRO CA C 206 62.600 62.600 63.681 -1.081 17717 7007 1 7 . 1 1 206 206 PRO CB C 206 31.400 31.400 30.288 1.112 17717 7008 1 7 . 1 1 207 207 ALA N N 207 125.400 125.400 124.385 1.015 17717 7009 1 7 . 1 1 207 207 ALA HA H 207 4.308 4.308 4.413 -0.105 17717 7010 1 7 . 1 1 207 207 ALA CA C 207 51.700 51.700 52.928 -1.228 17717 7011 1 7 . 1 1 207 207 ALA CB C 207 18.200 18.200 20.203 -2.002 17717 7012 1 7 . 1 1 207 207 ALA H H 207 8.400 8.400 8.475 -0.075 17717 7013 1 7 . 1 1 208 208 LEU N N 208 121.680 121.680 119.246 2.434 17717 7014 1 7 . 1 1 208 208 LEU HA H 208 4.480 4.480 4.357 0.123 17717 7015 1 7 . 1 1 208 208 LEU CA C 208 55.100 55.100 57.550 -2.450 17717 7016 1 7 . 1 1 208 208 LEU CB C 208 41.200 41.200 41.992 -0.792 17717 7017 1 7 . 1 1 208 208 LEU H H 208 8.180 8.180 7.524 0.656 17717 7018 1 7 . 1 1 209 209 GLU N N 209 121.147 121.147 120.010 1.137 17717 7019 1 7 . 1 1 209 209 GLU HA H 209 4.180 4.180 3.911 0.269 17717 7020 1 7 . 1 1 209 209 GLU CA C 209 56.477 56.477 60.188 -3.711 17717 7021 1 7 . 1 1 209 209 GLU CB C 209 29.250 29.250 29.124 0.126 17717 7022 1 7 . 1 1 209 209 GLU H H 209 8.380 8.380 8.386 -0.006 17717 7023 1 7 . 1 1 210 210 ASP N N 210 121.147 121.147 118.577 2.570 17717 7024 1 7 . 1 1 210 210 ASP HA H 210 4.260 4.260 4.505 -0.245 17717 7025 1 7 . 1 1 210 210 ASP CA C 210 55.000 55.000 57.425 -2.425 17717 7026 1 7 . 1 1 210 210 ASP CB C 210 37.200 37.200 41.031 -3.831 17717 7027 1 7 . 1 1 210 210 ASP H H 210 8.280 8.280 8.056 0.224 17717 7028 1 7 . 1 1 211 211 LEU N N 211 122.210 122.210 116.811 5.399 17717 7029 1 7 . 1 1 211 211 LEU HA H 211 4.220 4.220 4.656 -0.436 17717 7030 1 7 . 1 1 211 211 LEU CA C 211 57.400 57.400 56.410 0.990 17717 7031 1 7 . 1 1 211 211 LEU CB C 211 39.430 39.430 41.202 -1.772 17717 7032 1 7 . 1 1 211 211 LEU H H 211 8.640 8.640 7.415 1.225 17717 7033 1 7 . 1 1 212 212 ARG N N 212 119.550 119.550 119.044 0.506 17717 7034 1 7 . 1 1 212 212 ARG HA H 212 4.220 4.220 3.896 0.324 17717 7035 1 7 . 1 1 212 212 ARG CA C 212 57.400 57.400 59.221 -1.821 17717 7036 1 7 . 1 1 212 212 ARG CB C 212 29.600 29.600 30.085 -0.485 17717 7037 1 7 . 1 1 212 212 ARG H H 212 7.910 7.910 8.425 -0.515 17717 7038 1 7 . 1 1 213 213 HIS CA C 213 56.200 56.200 58.994 -2.794 17717 7039 1 7 . 1 1 213 213 HIS CB C 213 31.900 31.900 30.357 1.543 17717 7040 1 7 . 1 1 214 214 SER N N 214 116.366 116.366 116.028 0.338 17717 7041 1 7 . 1 1 214 214 SER HA H 214 4.265 4.265 4.514 -0.249 17717 7042 1 7 . 1 1 214 214 SER CA C 214 61.100 61.100 58.034 3.066 17717 7043 1 7 . 1 1 214 214 SER CB C 214 63.100 63.100 61.936 1.164 17717 7044 1 7 . 1 1 214 214 SER H H 214 8.140 8.140 7.812 0.328 17717 7045 1 7 . 1 1 215 215 LEU N N 215 130.565 130.565 123.580 6.985 17717 7046 1 7 . 1 1 215 215 LEU HA H 215 4.730 4.730 4.470 0.260 17717 7047 1 7 . 1 1 215 215 LEU CA C 215 54.900 54.900 54.605 0.295 17717 7048 1 7 . 1 1 215 215 LEU CB C 215 42.000 42.000 43.878 -1.878 17717 7049 1 7 . 1 1 215 215 LEU H H 215 7.890 7.890 7.638 0.252 17717 7050 1 8 . 1 1 2 2 GLU N N 2 121.678 121.678 121.185 0.493 17717 7051 1 8 . 1 1 2 2 GLU HA H 2 4.488 4.488 4.862 -0.374 17717 7052 1 8 . 1 1 2 2 GLU CA C 2 56.418 56.418 55.161 1.257 17717 7053 1 8 . 1 1 2 2 GLU CB C 2 29.014 29.014 31.879 -2.865 17717 7054 1 8 . 1 1 2 2 GLU H H 2 8.276 8.276 8.584 -0.308 17717 7055 1 8 . 1 1 3 3 PRO CA C 3 62.923 62.923 63.935 -1.012 17717 7056 1 8 . 1 1 3 3 PRO CB C 3 31.547 31.547 32.322 -0.775 17717 7057 1 8 . 1 1 4 4 GLN N N 4 121.147 121.147 118.843 2.304 17717 7058 1 8 . 1 1 4 4 GLN HA H 4 4.349 4.349 4.166 0.183 17717 7059 1 8 . 1 1 4 4 GLN CA C 4 55.450 55.450 57.081 -1.631 17717 7060 1 8 . 1 1 4 4 GLN CB C 4 28.854 28.854 28.159 0.695 17717 7061 1 8 . 1 1 4 4 GLN H H 4 8.500 8.500 8.411 0.089 17717 7062 1 8 . 1 1 5 5 SER N N 5 117.429 117.429 111.566 5.863 17717 7063 1 8 . 1 1 5 5 SER HA H 5 4.329 4.329 3.590 0.739 17717 7064 1 8 . 1 1 5 5 SER CA C 5 58.100 58.100 57.225 0.875 17717 7065 1 8 . 1 1 5 5 SER CB C 5 63.485 63.485 64.106 -0.621 17717 7066 1 8 . 1 1 5 5 SER H H 5 8.370 8.370 8.264 0.106 17717 7067 1 8 . 1 1 6 6 GLN N N 6 123.803 123.803 122.337 1.466 17717 7068 1 8 . 1 1 6 6 GLN CA C 6 56.330 56.330 58.620 -2.291 17717 7069 1 8 . 1 1 6 6 GLN CB C 6 28.800 28.800 28.476 0.324 17717 7070 1 8 . 1 1 6 6 GLN H H 6 8.620 8.620 8.653 -0.033 17717 7071 1 8 . 1 1 7 7 TRP N N 7 119.022 119.022 117.976 1.046 17717 7072 1 8 . 1 1 7 7 TRP HA H 7 4.394 4.394 4.474 -0.080 17717 7073 1 8 . 1 1 7 7 TRP CA C 7 59.800 59.800 59.593 0.207 17717 7074 1 8 . 1 1 7 7 TRP CB C 7 27.800 27.800 28.301 -0.501 17717 7075 1 8 . 1 1 7 7 TRP H H 7 7.970 7.970 8.514 -0.544 17717 7076 1 8 . 1 1 8 8 ASP N N 8 121.678 121.678 120.494 1.184 17717 7077 1 8 . 1 1 8 8 ASP HA H 8 4.409 4.409 4.291 0.118 17717 7078 1 8 . 1 1 8 8 ASP CA C 8 56.912 56.912 57.231 -0.319 17717 7079 1 8 . 1 1 8 8 ASP CB C 8 38.400 38.400 39.955 -1.555 17717 7080 1 8 . 1 1 8 8 ASP H H 8 8.440 8.440 6.974 1.466 17717 7081 1 8 . 1 1 9 9 LYS N N 9 120.616 120.616 120.656 -0.040 17717 7082 1 8 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.113 -0.023 17717 7083 1 8 . 1 1 9 9 LYS CA C 9 58.277 58.277 58.704 -0.427 17717 7084 1 8 . 1 1 9 9 LYS CB C 9 31.550 31.550 32.075 -0.525 17717 7085 1 8 . 1 1 9 9 LYS H H 9 7.830 7.830 7.284 0.546 17717 7086 1 8 . 1 1 10 10 VAL N N 10 118.491 118.491 115.424 3.067 17717 7087 1 8 . 1 1 10 10 VAL HA H 10 3.830 3.830 4.244 -0.414 17717 7088 1 8 . 1 1 10 10 VAL CA C 10 65.630 65.630 66.872 -1.242 17717 7089 1 8 . 1 1 10 10 VAL CB C 10 31.300 31.300 31.328 -0.028 17717 7090 1 8 . 1 1 10 10 VAL H H 10 7.160 7.160 8.080 -0.920 17717 7091 1 8 . 1 1 11 11 LYS N N 11 122.210 122.210 118.868 3.342 17717 7092 1 8 . 1 1 11 11 LYS HA H 11 3.880 3.880 3.951 -0.071 17717 7093 1 8 . 1 1 11 11 LYS CA C 11 59.460 59.460 59.391 0.069 17717 7094 1 8 . 1 1 11 11 LYS CB C 11 31.200 31.200 32.114 -0.914 17717 7095 1 8 . 1 1 11 11 LYS H H 11 8.660 8.660 7.879 0.781 17717 7096 1 8 . 1 1 12 12 ASP N N 12 119.553 119.553 120.652 -1.099 17717 7097 1 8 . 1 1 12 12 ASP HA H 12 4.140 4.140 4.546 -0.406 17717 7098 1 8 . 1 1 12 12 ASP CA C 12 57.381 57.381 57.788 -0.407 17717 7099 1 8 . 1 1 12 12 ASP CB C 12 39.800 39.800 41.214 -1.414 17717 7100 1 8 . 1 1 12 12 ASP H H 12 7.790 7.790 7.732 0.058 17717 7101 1 8 . 1 1 13 13 PHE N N 13 116.500 116.500 118.546 -2.046 17717 7102 1 8 . 1 1 13 13 PHE HA H 13 4.690 4.690 4.184 0.506 17717 7103 1 8 . 1 1 13 13 PHE CA C 13 58.662 58.662 60.444 -1.782 17717 7104 1 8 . 1 1 13 13 PHE CB C 13 38.700 38.700 37.838 0.862 17717 7105 1 8 . 1 1 13 13 PHE H H 13 7.680 7.680 7.845 -0.165 17717 7106 1 8 . 1 1 14 14 ALA N N 14 122.209 122.209 122.507 -0.298 17717 7107 1 8 . 1 1 14 14 ALA HA H 14 4.008 4.008 3.746 0.262 17717 7108 1 8 . 1 1 14 14 ALA CA C 14 54.550 54.550 54.683 -0.133 17717 7109 1 8 . 1 1 14 14 ALA CB C 14 17.250 17.250 18.012 -0.762 17717 7110 1 8 . 1 1 14 14 ALA H H 14 8.760 8.760 7.322 1.438 17717 7111 1 8 . 1 1 15 15 ASN N N 15 119.553 119.553 115.023 4.530 17717 7112 1 8 . 1 1 15 15 ASN HA H 15 4.520 4.520 4.324 0.196 17717 7113 1 8 . 1 1 15 15 ASN CA C 15 56.084 56.084 55.163 0.921 17717 7114 1 8 . 1 1 15 15 ASN CB C 15 38.544 38.544 38.432 0.112 17717 7115 1 8 . 1 1 15 15 ASN H H 15 8.930 8.930 7.573 1.357 17717 7116 1 8 . 1 1 16 16 VAL N N 16 116.897 116.897 121.947 -5.050 17717 7117 1 8 . 1 1 16 16 VAL HA H 16 3.590 3.590 3.600 -0.010 17717 7118 1 8 . 1 1 16 16 VAL CA C 16 64.600 64.600 67.746 -3.146 17717 7119 1 8 . 1 1 16 16 VAL CB C 16 31.800 31.800 31.644 0.156 17717 7120 1 8 . 1 1 16 16 VAL H H 16 7.870 7.870 7.488 0.382 17717 7121 1 8 . 1 1 17 17 TYR N N 17 112.116 112.116 116.837 -4.721 17717 7122 1 8 . 1 1 17 17 TYR HA H 17 4.751 4.751 4.366 0.385 17717 7123 1 8 . 1 1 17 17 TYR CA C 17 59.040 59.040 60.369 -1.329 17717 7124 1 8 . 1 1 17 17 TYR CB C 17 39.060 39.060 37.067 1.993 17717 7125 1 8 . 1 1 17 17 TYR H H 17 8.000 8.000 8.119 -0.119 17717 7126 1 8 . 1 1 18 18 VAL N N 18 114.241 114.241 120.644 -6.403 17717 7127 1 8 . 1 1 18 18 VAL HA H 18 4.220 4.220 3.399 0.821 17717 7128 1 8 . 1 1 18 18 VAL CA C 18 63.520 63.520 66.371 -2.851 17717 7129 1 8 . 1 1 18 18 VAL CB C 18 31.128 31.128 31.321 -0.193 17717 7130 1 8 . 1 1 18 18 VAL H H 18 7.600 7.600 6.762 0.838 17717 7131 1 8 . 1 1 19 19 ASP N N 19 123.272 123.272 119.704 3.568 17717 7132 1 8 . 1 1 19 19 ASP HA H 19 4.523 4.523 4.107 0.416 17717 7133 1 8 . 1 1 19 19 ASP CA C 19 56.445 56.445 57.286 -0.841 17717 7134 1 8 . 1 1 19 19 ASP CB C 19 38.700 38.700 40.685 -1.985 17717 7135 1 8 . 1 1 19 19 ASP H H 19 8.890 8.890 8.008 0.882 17717 7136 1 8 . 1 1 20 20 ALA N N 20 118.491 118.491 122.680 -4.189 17717 7137 1 8 . 1 1 20 20 ALA HA H 20 4.230 4.230 4.090 0.141 17717 7138 1 8 . 1 1 20 20 ALA CA C 20 54.100 54.100 55.341 -1.241 17717 7139 1 8 . 1 1 20 20 ALA CB C 20 18.760 18.760 18.823 -0.063 17717 7140 1 8 . 1 1 20 20 ALA H H 20 6.630 6.630 7.441 -0.810 17717 7141 1 8 . 1 1 21 21 VAL N N 21 116.897 116.897 116.601 0.296 17717 7142 1 8 . 1 1 21 21 VAL HA H 21 3.664 3.664 3.663 0.001 17717 7143 1 8 . 1 1 21 21 VAL CA C 21 66.200 66.200 65.669 0.530 17717 7144 1 8 . 1 1 21 21 VAL CB C 21 30.460 30.460 31.514 -1.054 17717 7145 1 8 . 1 1 21 21 VAL H H 21 7.410 7.410 7.606 -0.196 17717 7146 1 8 . 1 1 22 22 LYS N N 22 121.147 121.147 120.204 0.943 17717 7147 1 8 . 1 1 22 22 LYS HA H 22 4.222 4.222 4.020 0.202 17717 7148 1 8 . 1 1 22 22 LYS CA C 22 59.300 59.300 59.217 0.083 17717 7149 1 8 . 1 1 22 22 LYS CB C 22 31.100 31.100 31.991 -0.891 17717 7150 1 8 . 1 1 22 22 LYS H H 22 8.180 8.180 8.218 -0.038 17717 7151 1 8 . 1 1 23 23 ASP N N 23 121.278 121.278 119.029 2.249 17717 7152 1 8 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.416 0.150 17717 7153 1 8 . 1 1 23 23 ASP CA C 23 56.300 56.300 57.208 -0.908 17717 7154 1 8 . 1 1 23 23 ASP CB C 23 38.800 38.800 40.734 -1.934 17717 7155 1 8 . 1 1 23 23 ASP H H 23 8.860 8.860 7.947 0.913 17717 7156 1 8 . 1 1 24 24 SER N N 24 118.491 118.491 115.145 3.346 17717 7157 1 8 . 1 1 24 24 SER HA H 24 4.132 4.132 4.254 -0.122 17717 7158 1 8 . 1 1 24 24 SER CA C 24 61.600 61.600 61.071 0.529 17717 7159 1 8 . 1 1 24 24 SER CB C 24 62.442 62.442 62.311 0.131 17717 7160 1 8 . 1 1 24 24 SER H H 24 7.950 7.950 8.203 -0.253 17717 7161 1 8 . 1 1 25 25 GLY N N 25 108.377 108.377 110.880 -2.503 17717 7162 1 8 . 1 1 25 25 GLY CA C 25 44.400 44.400 46.722 -2.322 17717 7163 1 8 . 1 1 25 25 GLY H H 25 7.560 7.560 7.734 -0.174 17717 7164 1 8 . 1 1 26 26 ARG N N 26 124.240 124.240 121.541 2.699 17717 7165 1 8 . 1 1 26 26 ARG HA H 26 4.303 4.303 4.152 0.151 17717 7166 1 8 . 1 1 26 26 ARG CA C 26 54.000 54.000 58.478 -4.478 17717 7167 1 8 . 1 1 26 26 ARG CB C 26 28.240 28.240 29.822 -1.582 17717 7168 1 8 . 1 1 26 26 ARG H H 26 8.200 8.200 7.749 0.451 17717 7169 1 8 . 1 1 27 27 ASP N N 27 121.678 121.678 119.187 2.491 17717 7170 1 8 . 1 1 27 27 ASP HA H 27 4.211 4.211 4.505 -0.294 17717 7171 1 8 . 1 1 27 27 ASP CA C 27 58.380 58.380 57.468 0.912 17717 7172 1 8 . 1 1 27 27 ASP CB C 27 40.400 40.400 41.658 -1.258 17717 7173 1 8 . 1 1 27 27 ASP H H 27 7.880 7.880 7.668 0.212 17717 7174 1 8 . 1 1 28 28 TYR N N 28 121.440 121.440 122.113 -0.673 17717 7175 1 8 . 1 1 28 28 TYR HA H 28 4.480 4.480 4.788 -0.308 17717 7176 1 8 . 1 1 28 28 TYR CA C 28 57.800 57.800 60.176 -2.376 17717 7177 1 8 . 1 1 28 28 TYR CB C 28 38.322 38.322 38.783 -0.461 17717 7178 1 8 . 1 1 28 28 TYR H H 28 8.020 8.020 8.370 -0.350 17717 7179 1 8 . 1 1 29 29 VAL N N 29 123.272 123.272 118.381 4.891 17717 7180 1 8 . 1 1 29 29 VAL HA H 29 4.040 4.040 3.510 0.530 17717 7181 1 8 . 1 1 29 29 VAL CA C 29 66.400 66.400 64.677 1.723 17717 7182 1 8 . 1 1 29 29 VAL CB C 29 30.500 30.500 30.878 -0.379 17717 7183 1 8 . 1 1 29 29 VAL H H 29 8.280 8.280 8.057 0.223 17717 7184 1 8 . 1 1 30 30 SER N N 30 117.429 117.429 116.132 1.297 17717 7185 1 8 . 1 1 30 30 SER HA H 30 4.000 4.000 4.118 -0.118 17717 7186 1 8 . 1 1 30 30 SER CA C 30 61.070 61.070 61.575 -0.505 17717 7187 1 8 . 1 1 30 30 SER CB C 30 62.000 62.000 63.041 -1.040 17717 7188 1 8 . 1 1 30 30 SER H H 30 8.930 8.930 7.602 1.328 17717 7189 1 8 . 1 1 31 31 GLN N N 31 121.147 121.147 121.319 -0.172 17717 7190 1 8 . 1 1 31 31 GLN HA H 31 4.136 4.136 4.039 0.097 17717 7191 1 8 . 1 1 31 31 GLN CA C 31 58.210 58.210 58.712 -0.502 17717 7192 1 8 . 1 1 31 31 GLN CB C 31 27.600 27.600 28.542 -0.942 17717 7193 1 8 . 1 1 31 31 GLN H H 31 7.740 7.740 7.538 0.202 17717 7194 1 8 . 1 1 32 32 PHE N N 32 117.429 117.429 119.753 -2.324 17717 7195 1 8 . 1 1 32 32 PHE HA H 32 4.020 4.020 3.998 0.022 17717 7196 1 8 . 1 1 32 32 PHE CA C 32 60.600 60.600 61.451 -0.851 17717 7197 1 8 . 1 1 32 32 PHE CB C 32 36.896 36.896 38.748 -1.852 17717 7198 1 8 . 1 1 32 32 PHE H H 32 7.200 7.200 7.596 -0.396 17717 7199 1 8 . 1 1 33 33 GLU N N 33 122.210 122.210 118.394 3.816 17717 7200 1 8 . 1 1 33 33 GLU HA H 33 4.769 4.769 3.555 1.214 17717 7201 1 8 . 1 1 33 33 GLU CA C 33 59.220 59.220 58.800 0.420 17717 7202 1 8 . 1 1 33 33 GLU CB C 33 29.240 29.240 29.061 0.179 17717 7203 1 8 . 1 1 33 33 GLU H H 33 8.160 8.160 7.758 0.402 17717 7204 1 8 . 1 1 34 34 SER N N 34 109.991 109.991 113.634 -3.643 17717 7205 1 8 . 1 1 34 34 SER HA H 34 4.309 4.309 4.263 0.045 17717 7206 1 8 . 1 1 34 34 SER CA C 34 58.240 58.240 60.820 -2.580 17717 7207 1 8 . 1 1 34 34 SER CB C 34 63.260 63.260 62.957 0.303 17717 7208 1 8 . 1 1 34 34 SER H H 34 7.890 7.890 7.719 0.171 17717 7209 1 8 . 1 1 35 35 SER N N 35 120.085 120.085 118.483 1.602 17717 7210 1 8 . 1 1 35 35 SER HA H 35 4.354 4.354 4.092 0.262 17717 7211 1 8 . 1 1 35 35 SER CA C 35 58.100 58.100 61.835 -3.735 17717 7212 1 8 . 1 1 35 35 SER CB C 35 64.398 64.398 62.751 1.647 17717 7213 1 8 . 1 1 35 35 SER H H 35 7.420 7.420 7.965 -0.545 17717 7214 1 8 . 1 1 36 36 SER N N 36 116.130 116.130 118.753 -2.623 17717 7215 1 8 . 1 1 36 36 SER HA H 36 4.350 4.350 4.118 0.232 17717 7216 1 8 . 1 1 36 36 SER CA C 36 58.600 58.600 61.908 -3.308 17717 7217 1 8 . 1 1 36 36 SER CB C 36 63.370 63.370 62.823 0.547 17717 7218 1 8 . 1 1 36 36 SER H H 36 8.100 8.100 7.567 0.533 17717 7219 1 8 . 1 1 37 37 LEU N N 37 121.678 121.678 121.541 0.137 17717 7220 1 8 . 1 1 37 37 LEU HA H 37 4.222 4.222 4.093 0.129 17717 7221 1 8 . 1 1 37 37 LEU CA C 37 56.400 56.400 57.074 -0.674 17717 7222 1 8 . 1 1 37 37 LEU CB C 37 41.200 41.200 41.824 -0.624 17717 7223 1 8 . 1 1 37 37 LEU H H 37 8.290 8.290 7.419 0.871 17717 7224 1 8 . 1 1 38 38 GLY N N 38 108.400 108.400 104.642 3.758 17717 7225 1 8 . 1 1 38 38 GLY CA C 38 46.220 46.220 46.511 -0.291 17717 7226 1 8 . 1 1 38 38 GLY H H 38 7.280 7.280 8.070 -0.790 17717 7227 1 8 . 1 1 39 39 GLN N N 39 120.920 120.920 122.579 -1.659 17717 7228 1 8 . 1 1 39 39 GLN HA H 39 4.092 4.092 4.082 0.010 17717 7229 1 8 . 1 1 39 39 GLN CA C 39 57.423 57.423 58.862 -1.439 17717 7230 1 8 . 1 1 39 39 GLN CB C 39 28.847 28.847 28.504 0.343 17717 7231 1 8 . 1 1 39 39 GLN H H 39 8.360 8.360 7.855 0.505 17717 7232 1 8 . 1 1 40 40 GLN N N 40 118.648 118.648 118.855 -0.207 17717 7233 1 8 . 1 1 40 40 GLN HA H 40 4.040 4.040 4.085 -0.045 17717 7234 1 8 . 1 1 40 40 GLN CA C 40 57.471 57.471 58.330 -0.859 17717 7235 1 8 . 1 1 40 40 GLN CB C 40 28.777 28.777 28.358 0.419 17717 7236 1 8 . 1 1 40 40 GLN H H 40 7.630 7.630 7.719 -0.089 17717 7237 1 8 . 1 1 41 41 LEU N N 41 116.800 116.800 122.039 -5.239 17717 7238 1 8 . 1 1 41 41 LEU HA H 41 4.222 4.222 3.999 0.223 17717 7239 1 8 . 1 1 41 41 LEU CA C 41 55.400 55.400 58.176 -2.776 17717 7240 1 8 . 1 1 41 41 LEU CB C 41 41.754 41.754 42.120 -0.365 17717 7241 1 8 . 1 1 41 41 LEU H H 41 8.010 8.010 7.827 0.183 17717 7242 1 8 . 1 1 42 42 ASN N N 42 115.840 115.840 117.385 -1.545 17717 7243 1 8 . 1 1 42 42 ASN HA H 42 4.485 4.485 4.390 0.095 17717 7244 1 8 . 1 1 42 42 ASN CA C 42 53.500 53.500 56.286 -2.786 17717 7245 1 8 . 1 1 42 42 ASN CB C 42 37.000 37.000 38.674 -1.674 17717 7246 1 8 . 1 1 42 42 ASN H H 42 7.840 7.840 7.889 -0.049 17717 7247 1 8 . 1 1 43 43 LEU N N 43 118.490 118.490 120.697 -2.207 17717 7248 1 8 . 1 1 43 43 LEU HA H 43 4.480 4.480 4.075 0.405 17717 7249 1 8 . 1 1 43 43 LEU CA C 43 55.502 55.502 57.338 -1.836 17717 7250 1 8 . 1 1 43 43 LEU CB C 43 41.200 41.200 41.060 0.140 17717 7251 1 8 . 1 1 43 43 LEU H H 43 9.670 9.670 7.904 1.766 17717 7252 1 8 . 1 1 44 44 ASN N N 44 119.553 119.553 117.737 1.816 17717 7253 1 8 . 1 1 44 44 ASN HA H 44 4.520 4.520 4.427 0.093 17717 7254 1 8 . 1 1 44 44 ASN CA C 44 52.770 52.770 56.765 -3.995 17717 7255 1 8 . 1 1 44 44 ASN CB C 44 36.200 36.200 38.404 -2.204 17717 7256 1 8 . 1 1 44 44 ASN H H 44 8.950 8.950 7.995 0.955 17717 7257 1 8 . 1 1 45 45 LEU N N 45 119.553 119.553 117.710 1.843 17717 7258 1 8 . 1 1 45 45 LEU HA H 45 4.048 4.048 4.194 -0.146 17717 7259 1 8 . 1 1 45 45 LEU CA C 45 55.569 55.569 57.676 -2.107 17717 7260 1 8 . 1 1 45 45 LEU CB C 45 41.250 41.250 41.505 -0.255 17717 7261 1 8 . 1 1 45 45 LEU H H 45 8.970 8.970 7.421 1.549 17717 7262 1 8 . 1 1 46 46 LEU N N 46 116.900 116.900 119.032 -2.132 17717 7263 1 8 . 1 1 46 46 LEU HA H 46 4.351 4.351 4.164 0.187 17717 7264 1 8 . 1 1 46 46 LEU CA C 46 54.684 54.684 57.779 -3.095 17717 7265 1 8 . 1 1 46 46 LEU CB C 46 39.800 39.800 42.197 -2.397 17717 7266 1 8 . 1 1 46 46 LEU H H 46 8.450 8.450 7.171 1.279 17717 7267 1 8 . 1 1 47 47 GLU N N 47 122.741 122.741 118.358 4.383 17717 7268 1 8 . 1 1 47 47 GLU HA H 47 4.018 4.018 4.000 0.018 17717 7269 1 8 . 1 1 47 47 GLU CA C 47 58.280 58.280 59.533 -1.253 17717 7270 1 8 . 1 1 47 47 GLU CB C 47 28.800 28.800 29.322 -0.522 17717 7271 1 8 . 1 1 47 47 GLU H H 47 7.490 7.490 8.187 -0.697 17717 7272 1 8 . 1 1 48 48 ASN N N 48 117.200 117.200 118.766 -1.566 17717 7273 1 8 . 1 1 48 48 ASN HA H 48 4.300 4.300 4.586 -0.286 17717 7274 1 8 . 1 1 48 48 ASN CA C 48 53.550 53.550 55.667 -2.117 17717 7275 1 8 . 1 1 48 48 ASN CB C 48 38.490 38.490 38.520 -0.030 17717 7276 1 8 . 1 1 48 48 ASN H H 48 8.450 8.450 8.511 -0.061 17717 7277 1 8 . 1 1 49 49 TRP N N 49 119.320 119.320 119.766 -0.446 17717 7278 1 8 . 1 1 49 49 TRP HA H 49 4.300 4.300 4.475 -0.175 17717 7279 1 8 . 1 1 49 49 TRP CA C 49 56.200 56.200 59.893 -3.693 17717 7280 1 8 . 1 1 49 49 TRP CB C 49 27.800 27.800 29.503 -1.703 17717 7281 1 8 . 1 1 49 49 TRP H H 49 8.050 8.050 7.507 0.543 17717 7282 1 8 . 1 1 50 50 ASP N N 50 124.860 124.860 116.881 7.979 17717 7283 1 8 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.834 -0.144 17717 7284 1 8 . 1 1 50 50 ASP CA C 50 54.180 54.180 55.602 -1.422 17717 7285 1 8 . 1 1 50 50 ASP CB C 50 40.318 40.318 43.506 -3.188 17717 7286 1 8 . 1 1 50 50 ASP H H 50 8.470 8.470 7.834 0.636 17717 7287 1 8 . 1 1 51 51 THR N N 51 114.240 114.240 113.225 1.015 17717 7288 1 8 . 1 1 51 51 THR HA H 51 4.250 4.250 4.502 -0.252 17717 7289 1 8 . 1 1 51 51 THR CA C 51 61.800 61.800 61.484 0.315 17717 7290 1 8 . 1 1 51 51 THR CB C 51 69.000 69.000 70.070 -1.070 17717 7291 1 8 . 1 1 51 51 THR H H 51 7.920 7.920 8.324 -0.404 17717 7292 1 8 . 1 1 52 52 LEU N N 52 124.335 124.335 126.713 -2.378 17717 7293 1 8 . 1 1 52 52 LEU HA H 52 4.261 4.261 4.152 0.109 17717 7294 1 8 . 1 1 52 52 LEU CA C 52 54.800 54.800 56.046 -1.246 17717 7295 1 8 . 1 1 52 52 LEU CB C 52 41.200 41.200 42.035 -0.835 17717 7296 1 8 . 1 1 52 52 LEU H H 52 8.000 8.000 8.823 -0.823 17717 7297 1 8 . 1 1 53 53 GLY N N 53 109.991 109.991 111.315 -1.324 17717 7298 1 8 . 1 1 53 53 GLY CA C 53 44.700 44.700 45.022 -0.322 17717 7299 1 8 . 1 1 53 53 GLY H H 53 8.450 8.450 8.523 -0.073 17717 7300 1 8 . 1 1 54 54 SER N N 54 113.710 113.710 114.466 -0.756 17717 7301 1 8 . 1 1 54 54 SER HA H 54 4.480 4.480 4.112 0.368 17717 7302 1 8 . 1 1 54 54 SER CA C 54 57.300 57.300 59.297 -1.997 17717 7303 1 8 . 1 1 54 54 SER CB C 54 63.100 63.100 63.622 -0.522 17717 7304 1 8 . 1 1 54 54 SER H H 54 8.060 8.060 8.025 0.035 17717 7305 1 8 . 1 1 55 55 THR N N 55 116.897 116.897 113.142 3.755 17717 7306 1 8 . 1 1 55 55 THR HA H 55 4.044 4.044 4.310 -0.266 17717 7307 1 8 . 1 1 55 55 THR CA C 55 61.700 61.700 62.740 -1.040 17717 7308 1 8 . 1 1 55 55 THR CB C 55 69.800 69.800 69.960 -0.161 17717 7309 1 8 . 1 1 55 55 THR H H 55 8.210 8.210 8.356 -0.146 17717 7310 1 8 . 1 1 56 56 VAL N N 56 123.300 123.300 117.998 5.302 17717 7311 1 8 . 1 1 56 56 VAL HA H 56 3.793 3.793 3.790 0.003 17717 7312 1 8 . 1 1 56 56 VAL CA C 56 66.384 66.384 63.530 2.854 17717 7313 1 8 . 1 1 56 56 VAL CB C 56 30.268 30.268 29.915 0.353 17717 7314 1 8 . 1 1 56 56 VAL H H 56 8.280 8.280 7.890 0.390 17717 7315 1 8 . 1 1 57 57 SER N N 57 117.429 117.429 113.601 3.828 17717 7316 1 8 . 1 1 57 57 SER HA H 57 4.136 4.136 4.382 -0.246 17717 7317 1 8 . 1 1 57 57 SER CA C 57 61.100 61.100 59.300 1.800 17717 7318 1 8 . 1 1 57 57 SER CB C 57 62.800 62.800 63.685 -0.885 17717 7319 1 8 . 1 1 57 57 SER H H 57 7.850 7.850 8.286 -0.436 17717 7320 1 8 . 1 1 58 58 GLN N N 58 128.580 128.580 117.542 11.038 17717 7321 1 8 . 1 1 58 58 GLN HA H 58 4.260 4.260 4.322 -0.062 17717 7322 1 8 . 1 1 58 58 GLN CA C 58 56.642 56.642 56.974 -0.332 17717 7323 1 8 . 1 1 58 58 GLN CB C 58 29.023 29.023 29.060 -0.037 17717 7324 1 8 . 1 1 58 58 GLN H H 58 7.990 7.990 7.922 0.068 17717 7325 1 8 . 1 1 59 59 LEU N N 59 122.210 122.210 120.242 1.968 17717 7326 1 8 . 1 1 59 59 LEU HA H 59 4.310 4.310 3.976 0.334 17717 7327 1 8 . 1 1 59 59 LEU CA C 59 55.300 55.300 58.677 -3.377 17717 7328 1 8 . 1 1 59 59 LEU CB C 59 41.160 41.160 40.932 0.228 17717 7329 1 8 . 1 1 59 59 LEU H H 59 8.050 8.050 8.064 -0.014 17717 7330 1 8 . 1 1 60 60 GLN N N 60 120.085 120.085 118.897 1.188 17717 7331 1 8 . 1 1 60 60 GLN HA H 60 4.222 4.222 4.172 0.050 17717 7332 1 8 . 1 1 60 60 GLN CA C 60 55.960 55.960 59.138 -3.178 17717 7333 1 8 . 1 1 60 60 GLN CB C 60 27.900 27.900 27.983 -0.083 17717 7334 1 8 . 1 1 60 60 GLN H H 60 8.210 8.210 8.578 -0.368 17717 7335 1 8 . 1 1 61 61 GLU N N 61 120.920 120.920 118.441 2.479 17717 7336 1 8 . 1 1 61 61 GLU HA H 61 4.216 4.216 3.973 0.243 17717 7337 1 8 . 1 1 61 61 GLU CA C 61 56.900 56.900 59.340 -2.440 17717 7338 1 8 . 1 1 61 61 GLU CB C 61 28.500 28.500 29.247 -0.747 17717 7339 1 8 . 1 1 61 61 GLU H H 61 8.590 8.590 8.649 -0.059 17717 7340 1 8 . 1 1 62 62 ARG N N 62 118.833 118.833 117.912 0.921 17717 7341 1 8 . 1 1 62 62 ARG HA H 62 4.161 4.161 4.179 -0.018 17717 7342 1 8 . 1 1 62 62 ARG CA C 62 58.030 58.030 58.228 -0.198 17717 7343 1 8 . 1 1 62 62 ARG CB C 62 29.400 29.400 30.347 -0.947 17717 7344 1 8 . 1 1 62 62 ARG H H 62 7.680 7.680 8.233 -0.553 17717 7345 1 8 . 1 1 63 63 LEU N N 63 118.790 118.790 120.716 -1.926 17717 7346 1 8 . 1 1 63 63 LEU HA H 63 4.100 4.100 4.087 0.013 17717 7347 1 8 . 1 1 63 63 LEU CA C 63 56.360 56.360 57.528 -1.168 17717 7348 1 8 . 1 1 63 63 LEU CB C 63 41.130 41.130 41.372 -0.242 17717 7349 1 8 . 1 1 63 63 LEU H H 63 8.320 8.320 7.746 0.574 17717 7350 1 8 . 1 1 64 64 GLY N N 64 104.679 104.679 108.083 -3.404 17717 7351 1 8 . 1 1 64 64 GLY CA C 64 44.145 44.145 48.036 -3.891 17717 7352 1 8 . 1 1 64 64 GLY H H 64 7.220 7.220 8.320 -1.100 17717 7353 1 8 . 1 1 65 65 PRO CA C 65 62.817 62.817 64.806 -1.989 17717 7354 1 8 . 1 1 65 65 PRO CB C 65 31.290 31.290 31.404 -0.114 17717 7355 1 8 . 1 1 66 66 LEU N N 66 124.866 124.866 121.016 3.850 17717 7356 1 8 . 1 1 66 66 LEU HA H 66 4.609 4.609 4.308 0.301 17717 7357 1 8 . 1 1 66 66 LEU CA C 66 52.900 52.900 58.642 -5.742 17717 7358 1 8 . 1 1 66 66 LEU CB C 66 43.200 43.200 41.137 2.063 17717 7359 1 8 . 1 1 66 66 LEU H H 66 8.550 8.550 7.985 0.565 17717 7360 1 8 . 1 1 67 67 THR N N 67 112.116 112.116 113.154 -1.038 17717 7361 1 8 . 1 1 67 67 THR HA H 67 4.824 4.824 4.432 0.392 17717 7362 1 8 . 1 1 67 67 THR CA C 67 59.240 59.240 66.155 -6.915 17717 7363 1 8 . 1 1 67 67 THR CB C 67 71.550 71.550 68.831 2.719 17717 7364 1 8 . 1 1 67 67 THR H H 67 7.650 7.650 7.904 -0.254 17717 7365 1 8 . 1 1 68 68 ARG N N 68 120.085 120.085 120.226 -0.141 17717 7366 1 8 . 1 1 68 68 ARG HA H 68 4.230 4.230 3.979 0.251 17717 7367 1 8 . 1 1 68 68 ARG CA C 68 58.600 58.600 59.266 -0.666 17717 7368 1 8 . 1 1 68 68 ARG CB C 68 28.900 28.900 30.047 -1.147 17717 7369 1 8 . 1 1 68 68 ARG H H 68 8.950 8.950 7.578 1.372 17717 7370 1 8 . 1 1 69 69 ASP N N 69 116.366 116.366 120.135 -3.769 17717 7371 1 8 . 1 1 69 69 ASP HA H 69 4.249 4.249 4.359 -0.110 17717 7372 1 8 . 1 1 69 69 ASP CA C 69 56.100 56.100 58.579 -2.479 17717 7373 1 8 . 1 1 69 69 ASP CB C 69 39.550 39.550 40.796 -1.246 17717 7374 1 8 . 1 1 69 69 ASP H H 69 8.100 8.100 7.834 0.266 17717 7375 1 8 . 1 1 70 70 PHE N N 70 119.553 119.553 118.850 0.703 17717 7376 1 8 . 1 1 70 70 PHE HA H 70 4.090 4.090 3.920 0.170 17717 7377 1 8 . 1 1 70 70 PHE CA C 70 60.700 60.700 59.238 1.462 17717 7378 1 8 . 1 1 70 70 PHE CB C 70 38.100 38.100 37.717 0.383 17717 7379 1 8 . 1 1 70 70 PHE H H 70 7.420 7.420 7.227 0.193 17717 7380 1 8 . 1 1 71 71 TRP N N 71 120.085 120.085 122.548 -2.463 17717 7381 1 8 . 1 1 71 71 TRP HA H 71 4.044 4.044 3.269 0.775 17717 7382 1 8 . 1 1 71 71 TRP CA C 71 58.100 58.100 61.672 -3.572 17717 7383 1 8 . 1 1 71 71 TRP CB C 71 28.100 28.100 28.731 -0.631 17717 7384 1 8 . 1 1 71 71 TRP H H 71 6.950 6.950 7.198 -0.248 17717 7385 1 8 . 1 1 72 72 ASP N N 72 121.450 121.450 117.551 3.899 17717 7386 1 8 . 1 1 72 72 ASP HA H 72 4.310 4.310 3.392 0.918 17717 7387 1 8 . 1 1 72 72 ASP CA C 72 55.350 55.350 56.915 -1.565 17717 7388 1 8 . 1 1 72 72 ASP CB C 72 40.000 40.000 40.462 -0.462 17717 7389 1 8 . 1 1 72 72 ASP H H 72 8.350 8.350 7.763 0.587 17717 7390 1 8 . 1 1 73 73 ASN N N 73 117.200 117.200 118.364 -1.164 17717 7391 1 8 . 1 1 73 73 ASN HA H 73 4.220 4.220 4.362 -0.142 17717 7392 1 8 . 1 1 73 73 ASN CA C 73 54.500 54.500 56.584 -2.084 17717 7393 1 8 . 1 1 73 73 ASN CB C 73 40.000 40.000 38.881 1.119 17717 7394 1 8 . 1 1 73 73 ASN H H 73 7.700 7.700 7.609 0.091 17717 7395 1 8 . 1 1 74 74 LEU N N 74 123.600 123.600 120.068 3.532 17717 7396 1 8 . 1 1 74 74 LEU HA H 74 4.350 4.350 4.392 -0.042 17717 7397 1 8 . 1 1 74 74 LEU CA C 74 54.700 54.700 57.705 -3.005 17717 7398 1 8 . 1 1 74 74 LEU CB C 74 41.400 41.400 42.237 -0.837 17717 7399 1 8 . 1 1 74 74 LEU H H 74 8.330 8.330 8.423 -0.093 17717 7400 1 8 . 1 1 75 75 GLU N N 75 121.400 121.400 120.354 1.046 17717 7401 1 8 . 1 1 75 75 GLU HA H 75 4.000 4.000 3.786 0.214 17717 7402 1 8 . 1 1 75 75 GLU CA C 75 58.200 58.200 59.138 -0.938 17717 7403 1 8 . 1 1 75 75 GLU CB C 75 28.400 28.400 28.758 -0.358 17717 7404 1 8 . 1 1 75 75 GLU H H 75 8.600 8.600 8.241 0.359 17717 7405 1 8 . 1 1 76 76 LYS N N 76 118.000 118.000 118.715 -0.715 17717 7406 1 8 . 1 1 76 76 LYS HA H 76 4.117 4.117 4.125 -0.008 17717 7407 1 8 . 1 1 76 76 LYS CA C 76 58.400 58.400 58.795 -0.396 17717 7408 1 8 . 1 1 76 76 LYS CB C 76 32.480 32.480 32.477 0.003 17717 7409 1 8 . 1 1 76 76 LYS H H 76 7.690 7.690 7.370 0.320 17717 7410 1 8 . 1 1 77 77 GLU N N 77 115.835 115.835 119.039 -3.204 17717 7411 1 8 . 1 1 77 77 GLU HA H 77 4.310 4.310 3.991 0.319 17717 7412 1 8 . 1 1 77 77 GLU CA C 77 54.785 54.785 60.175 -5.390 17717 7413 1 8 . 1 1 77 77 GLU CB C 77 28.355 28.355 29.432 -1.077 17717 7414 1 8 . 1 1 77 77 GLU H H 77 8.290 8.290 7.811 0.479 17717 7415 1 8 . 1 1 78 78 THR N N 78 120.300 120.300 112.346 7.954 17717 7416 1 8 . 1 1 78 78 THR HA H 78 4.410 4.410 3.906 0.504 17717 7417 1 8 . 1 1 78 78 THR CA C 78 68.100 68.100 66.426 1.674 17717 7418 1 8 . 1 1 78 78 THR CB C 78 69.451 69.451 68.646 0.805 17717 7419 1 8 . 1 1 78 78 THR H H 78 7.490 7.490 8.254 -0.764 17717 7420 1 8 . 1 1 79 79 ASP N N 79 120.085 120.085 121.919 -1.834 17717 7421 1 8 . 1 1 79 79 ASP HA H 79 4.480 4.480 4.369 0.111 17717 7422 1 8 . 1 1 79 79 ASP CA C 79 57.426 57.426 56.933 0.493 17717 7423 1 8 . 1 1 79 79 ASP CB C 79 39.240 39.240 40.590 -1.350 17717 7424 1 8 . 1 1 79 79 ASP H H 79 8.880 8.880 7.759 1.121 17717 7425 1 8 . 1 1 80 80 TRP N N 80 123.803 123.803 122.125 1.678 17717 7426 1 8 . 1 1 80 80 TRP HA H 80 4.280 4.280 4.360 -0.080 17717 7427 1 8 . 1 1 80 80 TRP CA C 80 60.660 60.660 61.666 -1.006 17717 7428 1 8 . 1 1 80 80 TRP CB C 80 27.000 27.000 30.389 -3.389 17717 7429 1 8 . 1 1 80 80 TRP H H 80 7.760 7.760 7.928 -0.168 17717 7430 1 8 . 1 1 81 81 VAL N N 81 118.790 118.790 117.414 1.376 17717 7431 1 8 . 1 1 81 81 VAL HA H 81 4.280 4.280 3.856 0.424 17717 7432 1 8 . 1 1 81 81 VAL CA C 81 61.200 61.200 66.329 -5.129 17717 7433 1 8 . 1 1 81 81 VAL CB C 81 29.900 29.900 31.714 -1.814 17717 7434 1 8 . 1 1 81 81 VAL H H 81 8.160 8.160 8.921 -0.761 17717 7435 1 8 . 1 1 82 82 ARG N N 82 119.190 119.190 119.960 -0.770 17717 7436 1 8 . 1 1 82 82 ARG HA H 82 4.480 4.480 3.941 0.539 17717 7437 1 8 . 1 1 82 82 ARG CA C 82 58.400 58.400 59.469 -1.069 17717 7438 1 8 . 1 1 82 82 ARG CB C 82 29.800 29.800 30.097 -0.297 17717 7439 1 8 . 1 1 82 82 ARG H H 82 7.100 7.100 8.493 -1.393 17717 7440 1 8 . 1 1 83 83 GLN N N 83 117.960 117.960 118.285 -0.325 17717 7441 1 8 . 1 1 83 83 GLN HA H 83 4.222 4.222 3.958 0.264 17717 7442 1 8 . 1 1 83 83 GLN CA C 83 55.600 55.600 58.451 -2.851 17717 7443 1 8 . 1 1 83 83 GLN CB C 83 28.550 28.550 28.188 0.362 17717 7444 1 8 . 1 1 83 83 GLN H H 83 8.050 8.050 7.723 0.327 17717 7445 1 8 . 1 1 84 84 GLU N N 84 119.022 119.022 118.780 0.242 17717 7446 1 8 . 1 1 84 84 GLU HA H 84 4.100 4.100 3.963 0.137 17717 7447 1 8 . 1 1 84 84 GLU CA C 84 57.300 57.300 58.285 -0.985 17717 7448 1 8 . 1 1 84 84 GLU CB C 84 28.600 28.600 29.076 -0.475 17717 7449 1 8 . 1 1 84 84 GLU H H 84 7.920 7.920 8.286 -0.366 17717 7450 1 8 . 1 1 85 85 MET N N 85 117.565 117.565 120.587 -3.022 17717 7451 1 8 . 1 1 85 85 MET HA H 85 4.265 4.265 3.945 0.320 17717 7452 1 8 . 1 1 85 85 MET CA C 85 55.020 55.020 59.113 -4.093 17717 7453 1 8 . 1 1 85 85 MET CB C 85 33.000 33.000 32.139 0.861 17717 7454 1 8 . 1 1 85 85 MET H H 85 8.230 8.230 7.828 0.402 17717 7455 1 8 . 1 1 86 86 ASN N N 86 119.022 119.022 116.625 2.397 17717 7456 1 8 . 1 1 86 86 ASN HA H 86 4.570 4.570 4.509 0.061 17717 7457 1 8 . 1 1 86 86 ASN CA C 86 56.000 56.000 55.699 0.301 17717 7458 1 8 . 1 1 86 86 ASN CB C 86 37.700 37.700 38.519 -0.819 17717 7459 1 8 . 1 1 86 86 ASN H H 86 8.600 8.600 7.702 0.898 17717 7460 1 8 . 1 1 87 87 LYS N N 87 120.273 120.273 120.476 -0.203 17717 7461 1 8 . 1 1 87 87 LYS HA H 87 4.100 4.100 3.900 0.200 17717 7462 1 8 . 1 1 87 87 LYS CA C 87 59.000 59.000 59.883 -0.883 17717 7463 1 8 . 1 1 87 87 LYS CB C 87 30.900 30.900 32.189 -1.289 17717 7464 1 8 . 1 1 87 87 LYS H H 87 7.220 7.220 7.611 -0.391 17717 7465 1 8 . 1 1 88 88 ASP N N 88 121.147 121.147 118.916 2.231 17717 7466 1 8 . 1 1 88 88 ASP HA H 88 4.480 4.480 4.417 0.063 17717 7467 1 8 . 1 1 88 88 ASP CA C 88 56.840 56.840 57.042 -0.202 17717 7468 1 8 . 1 1 88 88 ASP CB C 88 39.450 39.450 40.553 -1.103 17717 7469 1 8 . 1 1 88 88 ASP H H 88 7.390 7.390 8.042 -0.652 17717 7470 1 8 . 1 1 89 89 LEU N N 89 122.741 122.741 120.357 2.384 17717 7471 1 8 . 1 1 89 89 LEU HA H 89 4.470 4.470 3.923 0.547 17717 7472 1 8 . 1 1 89 89 LEU CA C 89 57.000 57.000 58.409 -1.409 17717 7473 1 8 . 1 1 89 89 LEU CB C 89 41.000 41.000 42.177 -1.177 17717 7474 1 8 . 1 1 89 89 LEU H H 89 8.910 8.910 7.413 1.497 17717 7475 1 8 . 1 1 90 90 GLU N N 90 119.553 119.553 117.601 1.952 17717 7476 1 8 . 1 1 90 90 GLU HA H 90 4.050 4.050 4.134 -0.084 17717 7477 1 8 . 1 1 90 90 GLU CA C 90 59.100 59.100 58.568 0.532 17717 7478 1 8 . 1 1 90 90 GLU CB C 90 28.556 28.556 29.726 -1.170 17717 7479 1 8 . 1 1 90 90 GLU H H 90 8.260 8.260 7.746 0.514 17717 7480 1 8 . 1 1 91 91 GLU N N 91 119.190 119.190 120.106 -0.916 17717 7481 1 8 . 1 1 91 91 GLU HA H 91 4.136 4.136 4.156 -0.020 17717 7482 1 8 . 1 1 91 91 GLU CA C 91 58.600 58.600 59.250 -0.650 17717 7483 1 8 . 1 1 91 91 GLU CB C 91 28.600 28.600 29.930 -1.330 17717 7484 1 8 . 1 1 91 91 GLU H H 91 7.470 7.470 8.085 -0.615 17717 7485 1 8 . 1 1 92 92 VAL N N 92 122.230 122.230 115.785 6.445 17717 7486 1 8 . 1 1 92 92 VAL HA H 92 3.837 3.837 3.947 -0.110 17717 7487 1 8 . 1 1 92 92 VAL CA C 92 65.900 65.900 66.332 -0.432 17717 7488 1 8 . 1 1 92 92 VAL CB C 92 29.200 29.200 32.091 -2.891 17717 7489 1 8 . 1 1 92 92 VAL H H 92 8.420 8.420 8.284 0.136 17717 7490 1 8 . 1 1 93 93 LYS N N 93 121.300 121.300 118.236 3.064 17717 7491 1 8 . 1 1 93 93 LYS HA H 93 3.836 3.836 4.211 -0.375 17717 7492 1 8 . 1 1 93 93 LYS CA C 93 59.900 59.900 58.676 1.224 17717 7493 1 8 . 1 1 93 93 LYS CB C 93 31.277 31.277 31.931 -0.654 17717 7494 1 8 . 1 1 93 93 LYS H H 93 9.000 9.000 7.599 1.401 17717 7495 1 8 . 1 1 94 94 GLN N N 94 116.900 116.900 116.973 -0.073 17717 7496 1 8 . 1 1 94 94 GLN HA H 94 4.094 4.094 4.296 -0.202 17717 7497 1 8 . 1 1 94 94 GLN CA C 94 57.731 57.731 57.615 0.116 17717 7498 1 8 . 1 1 94 94 GLN CB C 94 27.700 27.700 28.623 -0.923 17717 7499 1 8 . 1 1 94 94 GLN H H 94 7.320 7.320 7.638 -0.318 17717 7500 1 8 . 1 1 95 95 LYS N N 95 119.190 119.190 118.934 0.256 17717 7501 1 8 . 1 1 95 95 LYS HA H 95 4.137 4.137 4.252 -0.115 17717 7502 1 8 . 1 1 95 95 LYS CA C 95 57.700 57.700 58.798 -1.098 17717 7503 1 8 . 1 1 95 95 LYS CB C 95 31.800 31.800 33.262 -1.462 17717 7504 1 8 . 1 1 95 95 LYS H H 95 7.590 7.590 7.615 -0.025 17717 7505 1 8 . 1 1 96 96 VAL N N 96 111.000 111.000 117.482 -6.482 17717 7506 1 8 . 1 1 96 96 VAL HA H 96 4.138 4.138 3.485 0.653 17717 7507 1 8 . 1 1 96 96 VAL CA C 96 61.600 61.600 65.798 -4.198 17717 7508 1 8 . 1 1 96 96 VAL CB C 96 31.500 31.500 31.230 0.270 17717 7509 1 8 . 1 1 96 96 VAL H H 96 7.960 7.960 7.773 0.187 17717 7510 1 8 . 1 1 97 97 GLN N N 97 122.210 122.210 120.627 1.583 17717 7511 1 8 . 1 1 97 97 GLN HA H 97 4.030 4.030 4.023 0.007 17717 7512 1 8 . 1 1 97 97 GLN CA C 97 59.226 59.226 58.751 0.475 17717 7513 1 8 . 1 1 97 97 GLN CB C 97 24.578 24.578 26.391 -1.813 17717 7514 1 8 . 1 1 97 97 GLN H H 97 7.380 7.380 8.275 -0.895 17717 7515 1 8 . 1 1 98 98 PRO CA C 98 65.400 65.400 63.260 2.140 17717 7516 1 8 . 1 1 98 98 PRO CB C 98 30.336 30.336 32.355 -2.019 17717 7517 1 8 . 1 1 99 99 TYR N N 99 116.900 116.900 116.436 0.464 17717 7518 1 8 . 1 1 99 99 TYR HA H 99 4.480 4.480 4.202 0.278 17717 7519 1 8 . 1 1 99 99 TYR CA C 99 58.446 58.446 58.478 -0.032 17717 7520 1 8 . 1 1 99 99 TYR CB C 99 36.344 36.344 35.971 0.374 17717 7521 1 8 . 1 1 99 99 TYR H H 99 7.100 7.100 8.152 -1.052 17717 7522 1 8 . 1 1 100 100 LEU N N 100 123.270 123.270 124.499 -1.229 17717 7523 1 8 . 1 1 100 100 LEU HA H 100 3.964 3.964 4.604 -0.640 17717 7524 1 8 . 1 1 100 100 LEU CA C 100 57.300 57.300 55.165 2.135 17717 7525 1 8 . 1 1 100 100 LEU CB C 100 40.950 40.950 42.607 -1.657 17717 7526 1 8 . 1 1 100 100 LEU H H 100 7.500 7.500 8.194 -0.694 17717 7527 1 8 . 1 1 101 101 ASP N N 101 119.500 119.500 118.255 1.245 17717 7528 1 8 . 1 1 101 101 ASP HA H 101 3.810 3.810 4.617 -0.807 17717 7529 1 8 . 1 1 101 101 ASP CA C 101 58.200 58.200 54.746 3.454 17717 7530 1 8 . 1 1 101 101 ASP CB C 101 39.100 39.100 40.050 -0.950 17717 7531 1 8 . 1 1 101 101 ASP H H 101 8.450 8.450 8.108 0.342 17717 7532 1 8 . 1 1 102 102 GLU N N 102 121.221 121.221 120.936 0.285 17717 7533 1 8 . 1 1 102 102 GLU HA H 102 4.222 4.222 3.956 0.266 17717 7534 1 8 . 1 1 102 102 GLU CA C 102 59.200 59.200 58.907 0.293 17717 7535 1 8 . 1 1 102 102 GLU CB C 102 31.100 31.100 28.806 2.294 17717 7536 1 8 . 1 1 102 102 GLU H H 102 8.190 8.190 8.464 -0.274 17717 7537 1 8 . 1 1 103 103 PHE N N 103 124.065 124.065 120.423 3.642 17717 7538 1 8 . 1 1 103 103 PHE HA H 103 4.520 4.520 4.285 0.235 17717 7539 1 8 . 1 1 103 103 PHE CA C 103 57.183 57.183 60.457 -3.274 17717 7540 1 8 . 1 1 103 103 PHE CB C 103 38.608 38.608 38.059 0.548 17717 7541 1 8 . 1 1 103 103 PHE H H 103 8.170 8.170 7.315 0.855 17717 7542 1 8 . 1 1 104 104 GLN N N 104 123.272 123.272 119.010 4.262 17717 7543 1 8 . 1 1 104 104 GLN HA H 104 4.222 4.222 4.068 0.154 17717 7544 1 8 . 1 1 104 104 GLN CA C 104 55.460 55.460 58.783 -3.323 17717 7545 1 8 . 1 1 104 104 GLN CB C 104 29.200 29.200 28.227 0.973 17717 7546 1 8 . 1 1 104 104 GLN H H 104 8.030 8.030 8.698 -0.668 17717 7547 1 8 . 1 1 105 105 LYS N N 105 119.600 119.600 120.762 -1.162 17717 7548 1 8 . 1 1 105 105 LYS HA H 105 4.136 4.136 4.033 0.103 17717 7549 1 8 . 1 1 105 105 LYS CA C 105 57.830 57.830 59.932 -2.102 17717 7550 1 8 . 1 1 105 105 LYS CB C 105 32.220 32.220 32.405 -0.185 17717 7551 1 8 . 1 1 105 105 LYS H H 105 7.800 7.800 8.202 -0.402 17717 7552 1 8 . 1 1 106 106 LYS N N 106 117.960 117.960 120.369 -2.409 17717 7553 1 8 . 1 1 106 106 LYS HA H 106 4.093 4.093 4.065 0.028 17717 7554 1 8 . 1 1 106 106 LYS CA C 106 57.860 57.860 59.422 -1.562 17717 7555 1 8 . 1 1 106 106 LYS CB C 106 32.080 32.080 31.820 0.260 17717 7556 1 8 . 1 1 106 106 LYS H H 106 7.740 7.740 7.978 -0.238 17717 7557 1 8 . 1 1 107 107 TRP N N 107 119.320 119.320 120.066 -0.746 17717 7558 1 8 . 1 1 107 107 TRP HA H 107 4.310 4.310 4.272 0.038 17717 7559 1 8 . 1 1 107 107 TRP CA C 107 54.900 54.900 60.093 -5.192 17717 7560 1 8 . 1 1 107 107 TRP CB C 107 28.400 28.400 29.426 -1.026 17717 7561 1 8 . 1 1 107 107 TRP H H 107 8.390 8.390 7.687 0.703 17717 7562 1 8 . 1 1 108 108 LYS N N 108 120.390 120.390 119.865 0.525 17717 7563 1 8 . 1 1 108 108 LYS HA H 108 4.350 4.350 3.663 0.687 17717 7564 1 8 . 1 1 108 108 LYS CA C 108 58.170 58.170 58.973 -0.803 17717 7565 1 8 . 1 1 108 108 LYS CB C 108 30.250 30.250 31.892 -1.642 17717 7566 1 8 . 1 1 108 108 LYS H H 108 7.420 7.420 7.867 -0.447 17717 7567 1 8 . 1 1 109 109 GLU N N 109 120.220 120.220 119.769 0.451 17717 7568 1 8 . 1 1 109 109 GLU HA H 109 3.922 3.922 4.034 -0.112 17717 7569 1 8 . 1 1 109 109 GLU CA C 109 58.230 58.230 59.076 -0.846 17717 7570 1 8 . 1 1 109 109 GLU CB C 109 29.230 29.230 29.384 -0.153 17717 7571 1 8 . 1 1 109 109 GLU H H 109 7.800 7.800 7.526 0.274 17717 7572 1 8 . 1 1 110 110 ASP N N 110 121.678 121.678 120.114 1.564 17717 7573 1 8 . 1 1 110 110 ASP HA H 110 4.096 4.096 4.230 -0.134 17717 7574 1 8 . 1 1 110 110 ASP CA C 110 57.514 57.514 57.170 0.344 17717 7575 1 8 . 1 1 110 110 ASP CB C 110 40.005 40.005 40.578 -0.573 17717 7576 1 8 . 1 1 110 110 ASP H H 110 8.220 8.220 8.437 -0.217 17717 7577 1 8 . 1 1 111 111 VAL N N 111 123.537 123.537 116.879 6.658 17717 7578 1 8 . 1 1 111 111 VAL CA C 111 66.380 66.380 66.248 0.132 17717 7579 1 8 . 1 1 111 111 VAL CB C 111 30.800 30.800 30.920 -0.120 17717 7580 1 8 . 1 1 111 111 VAL H H 111 9.170 9.170 7.500 1.670 17717 7581 1 8 . 1 1 112 112 GLU N N 112 120.200 120.200 121.137 -0.937 17717 7582 1 8 . 1 1 112 112 GLU HA H 112 4.179 4.179 3.975 0.204 17717 7583 1 8 . 1 1 112 112 GLU CA C 112 58.431 58.431 59.416 -0.985 17717 7584 1 8 . 1 1 112 112 GLU CB C 112 27.878 27.878 29.319 -1.441 17717 7585 1 8 . 1 1 112 112 GLU H H 112 7.540 7.540 7.529 0.011 17717 7586 1 8 . 1 1 113 113 LEU N N 113 120.815 120.815 118.383 2.432 17717 7587 1 8 . 1 1 113 113 LEU HA H 113 4.439 4.439 3.835 0.604 17717 7588 1 8 . 1 1 113 113 LEU CA C 113 53.800 53.800 57.803 -4.003 17717 7589 1 8 . 1 1 113 113 LEU CB C 113 41.060 41.060 40.767 0.292 17717 7590 1 8 . 1 1 113 113 LEU H H 113 7.900 7.900 7.398 0.502 17717 7591 1 8 . 1 1 114 114 TYR N N 114 120.920 120.920 120.845 0.075 17717 7592 1 8 . 1 1 114 114 TYR HA H 114 4.520 4.520 4.009 0.511 17717 7593 1 8 . 1 1 114 114 TYR CA C 114 56.942 56.942 61.545 -4.603 17717 7594 1 8 . 1 1 114 114 TYR CB C 114 37.834 37.834 38.140 -0.306 17717 7595 1 8 . 1 1 114 114 TYR H H 114 8.370 8.370 8.001 0.369 17717 7596 1 8 . 1 1 115 115 ARG N N 115 118.260 118.260 117.640 0.620 17717 7597 1 8 . 1 1 115 115 ARG HA H 115 4.820 4.820 3.561 1.259 17717 7598 1 8 . 1 1 115 115 ARG CA C 115 55.700 55.700 59.029 -3.329 17717 7599 1 8 . 1 1 115 115 ARG CB C 115 30.600 30.600 29.283 1.317 17717 7600 1 8 . 1 1 115 115 ARG H H 115 7.630 7.630 7.859 -0.229 17717 7601 1 8 . 1 1 116 116 GLN N N 116 116.670 116.670 117.464 -0.794 17717 7602 1 8 . 1 1 116 116 GLN HA H 116 4.480 4.480 3.988 0.492 17717 7603 1 8 . 1 1 116 116 GLN CA C 116 57.100 57.100 58.102 -1.002 17717 7604 1 8 . 1 1 116 116 GLN CB C 116 28.060 28.060 28.148 -0.088 17717 7605 1 8 . 1 1 116 116 GLN H H 116 7.980 7.980 7.319 0.661 17717 7606 1 8 . 1 1 117 117 LYS N N 117 119.200 119.200 118.843 0.357 17717 7607 1 8 . 1 1 117 117 LYS HA H 117 4.211 4.211 3.847 0.364 17717 7608 1 8 . 1 1 117 117 LYS CA C 117 56.700 56.700 58.057 -1.357 17717 7609 1 8 . 1 1 117 117 LYS CB C 117 32.100 32.100 31.654 0.446 17717 7610 1 8 . 1 1 117 117 LYS H H 117 7.780 7.780 7.613 0.167 17717 7611 1 8 . 1 1 118 118 ALA N N 118 122.740 122.740 121.403 1.337 17717 7612 1 8 . 1 1 118 118 ALA HA H 118 4.179 4.179 3.993 0.186 17717 7613 1 8 . 1 1 118 118 ALA CA C 118 52.100 52.100 53.453 -1.353 17717 7614 1 8 . 1 1 118 118 ALA CB C 118 18.100 18.100 18.983 -0.883 17717 7615 1 8 . 1 1 118 118 ALA H H 118 8.100 8.100 7.847 0.253 17717 7616 1 8 . 1 1 119 119 SER N N 119 115.840 115.840 114.667 1.173 17717 7617 1 8 . 1 1 119 119 SER HA H 119 4.210 4.210 4.824 -0.614 17717 7618 1 8 . 1 1 119 119 SER CA C 119 55.900 55.900 54.208 1.692 17717 7619 1 8 . 1 1 119 119 SER CB C 119 62.900 62.900 63.654 -0.754 17717 7620 1 8 . 1 1 119 119 SER H H 119 7.800 7.800 7.383 0.417 17717 7621 1 8 . 1 1 120 120 PRO CA C 120 63.074 63.074 63.055 0.019 17717 7622 1 8 . 1 1 120 120 PRO CB C 120 31.408 31.408 32.093 -0.685 17717 7623 1 8 . 1 1 121 121 GLN N N 121 120.800 120.800 127.458 -6.658 17717 7624 1 8 . 1 1 121 121 GLN HA H 121 4.350 4.350 3.994 0.356 17717 7625 1 8 . 1 1 121 121 GLN CA C 121 55.800 55.800 59.043 -3.243 17717 7626 1 8 . 1 1 121 121 GLN CB C 121 28.300 28.300 27.637 0.663 17717 7627 1 8 . 1 1 121 121 GLN H H 121 8.450 8.450 8.656 -0.206 17717 7628 1 8 . 1 1 122 122 GLY N N 122 109.991 109.991 107.379 2.612 17717 7629 1 8 . 1 1 122 122 GLY CA C 122 44.500 44.500 46.642 -2.142 17717 7630 1 8 . 1 1 122 122 GLY H H 122 8.380 8.380 8.655 -0.275 17717 7631 1 8 . 1 1 123 123 ALA N N 123 124.866 124.866 125.289 -0.423 17717 7632 1 8 . 1 1 123 123 ALA HA H 123 4.280 4.280 4.338 -0.058 17717 7633 1 8 . 1 1 123 123 ALA CA C 123 52.440 52.440 55.008 -2.568 17717 7634 1 8 . 1 1 123 123 ALA CB C 123 18.530 18.530 18.729 -0.199 17717 7635 1 8 . 1 1 123 123 ALA H H 123 8.200 8.200 8.202 -0.002 17717 7636 1 8 . 1 1 124 124 GLU N N 124 120.000 120.000 118.121 1.879 17717 7637 1 8 . 1 1 124 124 GLU HA H 124 4.265 4.265 4.153 0.112 17717 7638 1 8 . 1 1 124 124 GLU CA C 124 56.533 56.533 58.439 -1.906 17717 7639 1 8 . 1 1 124 124 GLU CB C 124 29.150 29.150 29.322 -0.172 17717 7640 1 8 . 1 1 124 124 GLU H H 124 8.510 8.510 7.696 0.814 17717 7641 1 8 . 1 1 125 125 LEU N N 125 122.740 122.740 122.766 -0.026 17717 7642 1 8 . 1 1 125 125 LEU HA H 125 4.222 4.222 4.074 0.148 17717 7643 1 8 . 1 1 125 125 LEU CA C 125 55.600 55.600 58.324 -2.724 17717 7644 1 8 . 1 1 125 125 LEU CB C 125 41.500 41.500 41.519 -0.019 17717 7645 1 8 . 1 1 125 125 LEU H H 125 8.110 8.110 8.753 -0.643 17717 7646 1 8 . 1 1 126 126 GLN N N 126 120.616 120.616 115.998 4.618 17717 7647 1 8 . 1 1 126 126 GLN HA H 126 4.140 4.140 4.101 0.039 17717 7648 1 8 . 1 1 126 126 GLN CA C 126 56.600 56.600 58.471 -1.871 17717 7649 1 8 . 1 1 126 126 GLN CB C 126 28.200 28.200 28.210 -0.010 17717 7650 1 8 . 1 1 126 126 GLN H H 126 8.190 8.190 8.370 -0.180 17717 7651 1 8 . 1 1 127 127 GLU N N 127 121.221 121.221 121.596 -0.375 17717 7652 1 8 . 1 1 127 127 GLU HA H 127 4.480 4.480 4.155 0.325 17717 7653 1 8 . 1 1 127 127 GLU CA C 127 57.800 57.800 59.192 -1.392 17717 7654 1 8 . 1 1 127 127 GLU CB C 127 28.000 28.000 29.398 -1.398 17717 7655 1 8 . 1 1 127 127 GLU H H 127 8.130 8.130 7.767 0.363 17717 7656 1 8 . 1 1 128 128 SER N N 128 117.960 117.960 116.220 1.740 17717 7657 1 8 . 1 1 128 128 SER HA H 128 4.140 4.140 4.261 -0.121 17717 7658 1 8 . 1 1 128 128 SER CA C 128 57.800 57.800 61.705 -3.905 17717 7659 1 8 . 1 1 128 128 SER CB C 128 63.860 63.860 63.145 0.715 17717 7660 1 8 . 1 1 128 128 SER H H 128 8.580 8.580 8.499 0.081 17717 7661 1 8 . 1 1 129 129 ALA N N 129 132.300 132.300 122.330 9.970 17717 7662 1 8 . 1 1 129 129 ALA CA C 129 53.505 53.505 53.161 0.344 17717 7663 1 8 . 1 1 129 129 ALA CB C 129 18.600 18.600 18.841 -0.241 17717 7664 1 8 . 1 1 129 129 ALA H H 129 7.980 7.980 7.841 0.139 17717 7665 1 8 . 1 1 130 130 ARG N N 130 119.553 119.553 117.538 2.015 17717 7666 1 8 . 1 1 130 130 ARG HA H 130 4.274 4.274 4.545 -0.271 17717 7667 1 8 . 1 1 130 130 ARG CA C 130 55.300 55.300 56.221 -0.921 17717 7668 1 8 . 1 1 130 130 ARG CB C 130 31.600 31.600 31.814 -0.213 17717 7669 1 8 . 1 1 130 130 ARG H H 130 8.150 8.150 7.523 0.627 17717 7670 1 8 . 1 1 131 131 GLN N N 131 117.960 117.960 119.085 -1.125 17717 7671 1 8 . 1 1 131 131 GLN HA H 131 4.350 4.350 4.502 -0.152 17717 7672 1 8 . 1 1 131 131 GLN CA C 131 56.066 56.066 55.716 0.350 17717 7673 1 8 . 1 1 131 131 GLN CB C 131 29.000 29.000 29.686 -0.686 17717 7674 1 8 . 1 1 131 131 GLN H H 131 7.880 7.880 7.860 0.020 17717 7675 1 8 . 1 1 132 132 LYS N N 132 121.357 121.357 120.898 0.459 17717 7676 1 8 . 1 1 132 132 LYS HA H 132 4.136 4.136 4.470 -0.334 17717 7677 1 8 . 1 1 132 132 LYS CA C 132 56.800 56.800 56.878 -0.078 17717 7678 1 8 . 1 1 132 132 LYS CB C 132 31.100 31.100 32.390 -1.290 17717 7679 1 8 . 1 1 132 132 LYS H H 132 7.892 7.892 8.255 -0.363 17717 7680 1 8 . 1 1 133 133 LEU N N 133 120.620 120.620 118.382 2.238 17717 7681 1 8 . 1 1 133 133 LEU HA H 133 4.480 4.480 4.789 -0.309 17717 7682 1 8 . 1 1 133 133 LEU CA C 133 53.900 53.900 53.896 0.004 17717 7683 1 8 . 1 1 133 133 LEU CB C 133 41.230 41.230 44.026 -2.796 17717 7684 1 8 . 1 1 133 133 LEU H H 133 8.320 8.320 7.490 0.830 17717 7685 1 8 . 1 1 134 134 GLN N N 134 121.147 121.147 118.400 2.747 17717 7686 1 8 . 1 1 134 134 GLN HA H 134 4.222 4.222 4.584 -0.362 17717 7687 1 8 . 1 1 134 134 GLN CA C 134 56.146 56.146 54.267 1.879 17717 7688 1 8 . 1 1 134 134 GLN CB C 134 31.813 31.813 30.190 1.623 17717 7689 1 8 . 1 1 134 134 GLN H H 134 7.870 7.870 8.067 -0.197 17717 7690 1 8 . 1 1 135 135 GLU N N 135 121.678 121.678 120.558 1.120 17717 7691 1 8 . 1 1 135 135 GLU HA H 135 4.136 4.136 4.155 -0.019 17717 7692 1 8 . 1 1 135 135 GLU CA C 135 55.904 55.904 57.447 -1.543 17717 7693 1 8 . 1 1 135 135 GLU CB C 135 28.953 28.953 28.995 -0.042 17717 7694 1 8 . 1 1 135 135 GLU H H 135 7.892 7.892 8.366 -0.474 17717 7695 1 8 . 1 1 136 136 LEU N N 136 121.357 121.357 121.984 -0.627 17717 7696 1 8 . 1 1 136 136 LEU HA H 136 4.351 4.351 4.517 -0.166 17717 7697 1 8 . 1 1 136 136 LEU CA C 136 54.765 54.765 54.505 0.260 17717 7698 1 8 . 1 1 136 136 LEU CB C 136 41.823 41.823 43.627 -1.804 17717 7699 1 8 . 1 1 136 136 LEU H H 136 7.962 7.962 7.722 0.240 17717 7700 1 8 . 1 1 137 137 GLN N N 137 124.866 124.866 121.555 3.311 17717 7701 1 8 . 1 1 137 137 GLN HA H 137 4.222 4.222 4.166 0.056 17717 7702 1 8 . 1 1 137 137 GLN CA C 137 56.300 56.300 56.162 0.138 17717 7703 1 8 . 1 1 137 137 GLN CB C 137 28.000 28.000 28.744 -0.744 17717 7704 1 8 . 1 1 137 137 GLN H H 137 7.938 7.938 8.663 -0.725 17717 7705 1 8 . 1 1 138 138 GLY N N 138 111.054 111.054 109.238 1.816 17717 7706 1 8 . 1 1 138 138 GLY CA C 138 44.800 44.800 45.983 -1.183 17717 7707 1 8 . 1 1 138 138 GLY H H 138 8.410 8.410 8.733 -0.323 17717 7708 1 8 . 1 1 139 139 ARG N N 139 116.366 116.366 119.452 -3.086 17717 7709 1 8 . 1 1 139 139 ARG HA H 139 4.230 4.230 4.393 -0.163 17717 7710 1 8 . 1 1 139 139 ARG CA C 139 56.300 56.300 55.765 0.535 17717 7711 1 8 . 1 1 139 139 ARG CB C 139 28.700 28.700 31.417 -2.717 17717 7712 1 8 . 1 1 139 139 ARG H H 139 8.080 8.080 7.789 0.291 17717 7713 1 8 . 1 1 140 140 LEU N N 140 126.460 126.460 122.136 4.324 17717 7714 1 8 . 1 1 140 140 LEU HA H 140 4.220 4.220 4.062 0.158 17717 7715 1 8 . 1 1 140 140 LEU CA C 140 56.500 56.500 54.912 1.588 17717 7716 1 8 . 1 1 140 140 LEU CB C 140 41.496 41.496 40.917 0.579 17717 7717 1 8 . 1 1 140 140 LEU H H 140 7.740 7.740 8.146 -0.406 17717 7718 1 8 . 1 1 141 141 SER N N 141 119.190 119.190 114.140 5.050 17717 7719 1 8 . 1 1 141 141 SER HA H 141 4.390 4.390 4.261 0.129 17717 7720 1 8 . 1 1 141 141 SER CA C 141 56.384 56.384 58.801 -2.417 17717 7721 1 8 . 1 1 141 141 SER CB C 141 62.996 62.996 63.195 -0.199 17717 7722 1 8 . 1 1 141 141 SER H H 141 8.430 8.430 8.215 0.215 17717 7723 1 8 . 1 1 142 142 PRO CA C 142 64.840 64.840 65.129 -0.289 17717 7724 1 8 . 1 1 142 142 PRO CB C 142 31.345 31.345 31.578 -0.233 17717 7725 1 8 . 1 1 143 143 VAL N N 143 116.900 116.900 117.546 -0.646 17717 7726 1 8 . 1 1 143 143 VAL HA H 143 4.100 4.100 3.958 0.142 17717 7727 1 8 . 1 1 143 143 VAL CA C 143 63.800 63.800 64.365 -0.565 17717 7728 1 8 . 1 1 143 143 VAL CB C 143 31.400 31.400 30.198 1.202 17717 7729 1 8 . 1 1 143 143 VAL H H 143 7.780 7.780 7.938 -0.158 17717 7730 1 8 . 1 1 144 144 ALA N N 144 125.700 125.700 121.912 3.788 17717 7731 1 8 . 1 1 144 144 ALA HA H 144 4.390 4.390 4.156 0.234 17717 7732 1 8 . 1 1 144 144 ALA CA C 144 54.200 54.200 55.155 -0.955 17717 7733 1 8 . 1 1 144 144 ALA CB C 144 18.361 18.361 18.239 0.122 17717 7734 1 8 . 1 1 144 144 ALA H H 144 7.970 7.970 7.703 0.267 17717 7735 1 8 . 1 1 145 145 GLU N N 145 120.000 120.000 119.092 0.908 17717 7736 1 8 . 1 1 145 145 GLU HA H 145 3.920 3.920 3.962 -0.042 17717 7737 1 8 . 1 1 145 145 GLU CA C 145 59.400 59.400 59.466 -0.066 17717 7738 1 8 . 1 1 145 145 GLU CB C 145 28.400 28.400 28.880 -0.480 17717 7739 1 8 . 1 1 145 145 GLU H H 145 8.600 8.600 7.667 0.933 17717 7740 1 8 . 1 1 146 146 GLU N N 146 119.022 119.022 118.883 0.139 17717 7741 1 8 . 1 1 146 146 GLU HA H 146 4.050 4.050 4.046 0.004 17717 7742 1 8 . 1 1 146 146 GLU CA C 146 58.422 58.422 58.571 -0.149 17717 7743 1 8 . 1 1 146 146 GLU CB C 146 28.172 28.172 28.770 -0.598 17717 7744 1 8 . 1 1 146 146 GLU H H 146 8.070 8.070 8.351 -0.281 17717 7745 1 8 . 1 1 147 147 PHE N N 147 117.023 117.023 120.809 -3.786 17717 7746 1 8 . 1 1 147 147 PHE HA H 147 4.523 4.523 4.183 0.340 17717 7747 1 8 . 1 1 147 147 PHE CA C 147 58.592 58.592 60.220 -1.628 17717 7748 1 8 . 1 1 147 147 PHE CB C 147 40.344 40.344 38.971 1.373 17717 7749 1 8 . 1 1 147 147 PHE H H 147 8.161 8.161 7.874 0.287 17717 7750 1 8 . 1 1 148 148 ARG N N 148 120.085 120.085 119.171 0.914 17717 7751 1 8 . 1 1 148 148 ARG HA H 148 4.136 4.136 3.543 0.593 17717 7752 1 8 . 1 1 148 148 ARG CA C 148 57.700 57.700 60.042 -2.342 17717 7753 1 8 . 1 1 148 148 ARG CB C 148 30.400 30.400 29.863 0.536 17717 7754 1 8 . 1 1 148 148 ARG H H 148 8.325 8.325 8.324 0.001 17717 7755 1 8 . 1 1 149 149 ASP N N 149 118.530 118.530 118.671 -0.141 17717 7756 1 8 . 1 1 149 149 ASP HA H 149 4.310 4.310 4.419 -0.109 17717 7757 1 8 . 1 1 149 149 ASP CA C 149 54.600 54.600 57.085 -2.485 17717 7758 1 8 . 1 1 149 149 ASP CB C 149 41.000 41.000 40.872 0.128 17717 7759 1 8 . 1 1 149 149 ASP H H 149 8.270 8.270 8.544 -0.274 17717 7760 1 8 . 1 1 150 150 ARG N N 150 126.460 126.460 120.650 5.810 17717 7761 1 8 . 1 1 150 150 ARG HA H 150 4.180 4.180 4.285 -0.105 17717 7762 1 8 . 1 1 150 150 ARG CA C 150 56.850 56.850 57.750 -0.900 17717 7763 1 8 . 1 1 150 150 ARG CB C 150 30.451 30.451 29.785 0.666 17717 7764 1 8 . 1 1 150 150 ARG H H 150 7.860 7.860 8.018 -0.158 17717 7765 1 8 . 1 1 152 152 ARG CA C 152 55.764 55.764 59.389 -3.625 17717 7766 1 8 . 1 1 152 152 ARG CB C 152 30.014 30.014 30.163 -0.149 17717 7767 1 8 . 1 1 153 153 THR N N 153 115.832 115.832 112.254 3.578 17717 7768 1 8 . 1 1 153 153 THR HA H 153 4.350 4.350 3.980 0.370 17717 7769 1 8 . 1 1 153 153 THR CA C 153 61.200 61.200 66.458 -5.258 17717 7770 1 8 . 1 1 153 153 THR CB C 153 69.400 69.400 68.306 1.094 17717 7771 1 8 . 1 1 153 153 THR H H 153 8.170 8.170 8.011 0.159 17717 7772 1 8 . 1 1 154 154 HIS N N 154 129.120 129.120 123.645 5.475 17717 7773 1 8 . 1 1 154 154 HIS HA H 154 4.650 4.650 4.205 0.445 17717 7774 1 8 . 1 1 154 154 HIS CA C 154 56.800 56.800 59.029 -2.229 17717 7775 1 8 . 1 1 154 154 HIS CB C 154 30.400 30.400 29.434 0.966 17717 7776 1 8 . 1 1 154 154 HIS H H 154 7.950 7.950 8.122 -0.172 17717 7777 1 8 . 1 1 155 155 VAL N N 155 120.620 120.620 117.982 2.638 17717 7778 1 8 . 1 1 155 155 VAL HA H 155 4.012 4.012 3.391 0.621 17717 7779 1 8 . 1 1 155 155 VAL CA C 155 62.300 62.300 65.786 -3.486 17717 7780 1 8 . 1 1 155 155 VAL CB C 155 31.600 31.600 30.453 1.147 17717 7781 1 8 . 1 1 155 155 VAL H H 155 7.910 7.910 7.257 0.653 17717 7782 1 8 . 1 1 156 156 ASP N N 156 121.147 121.147 120.749 0.398 17717 7783 1 8 . 1 1 156 156 ASP HA H 156 4.440 4.440 4.311 0.129 17717 7784 1 8 . 1 1 156 156 ASP CA C 156 57.384 57.384 57.410 -0.026 17717 7785 1 8 . 1 1 156 156 ASP CB C 156 40.140 40.140 40.688 -0.548 17717 7786 1 8 . 1 1 156 156 ASP H H 156 8.100 8.100 8.598 -0.498 17717 7787 1 8 . 1 1 157 157 SER N N 157 116.366 116.366 116.560 -0.194 17717 7788 1 8 . 1 1 157 157 SER HA H 157 4.220 4.220 4.140 0.080 17717 7789 1 8 . 1 1 157 157 SER CA C 157 61.500 61.500 61.940 -0.440 17717 7790 1 8 . 1 1 157 157 SER CB C 157 62.500 62.500 63.246 -0.746 17717 7791 1 8 . 1 1 157 157 SER H H 157 8.700 8.700 7.894 0.806 17717 7792 1 8 . 1 1 158 158 LEU N N 158 123.272 123.272 122.633 0.639 17717 7793 1 8 . 1 1 158 158 LEU HA H 158 4.520 4.520 4.266 0.254 17717 7794 1 8 . 1 1 158 158 LEU CA C 158 57.140 57.140 58.272 -1.132 17717 7795 1 8 . 1 1 158 158 LEU CB C 158 40.900 40.900 42.021 -1.121 17717 7796 1 8 . 1 1 158 158 LEU H H 158 7.790 7.790 7.824 -0.034 17717 7797 1 8 . 1 1 159 159 ARG N N 159 119.553 119.553 116.153 3.400 17717 7798 1 8 . 1 1 159 159 ARG HA H 159 4.530 4.530 4.114 0.416 17717 7799 1 8 . 1 1 159 159 ARG CA C 159 56.800 56.800 59.003 -2.203 17717 7800 1 8 . 1 1 159 159 ARG CB C 159 29.000 29.000 30.284 -1.284 17717 7801 1 8 . 1 1 159 159 ARG H H 159 8.650 8.650 8.059 0.591 17717 7802 1 8 . 1 1 160 160 THR N N 160 115.304 115.304 114.876 0.428 17717 7803 1 8 . 1 1 160 160 THR HA H 160 3.880 3.880 4.080 -0.200 17717 7804 1 8 . 1 1 160 160 THR CA C 160 65.300 65.300 66.353 -1.053 17717 7805 1 8 . 1 1 160 160 THR CB C 160 68.900 68.900 68.546 0.354 17717 7806 1 8 . 1 1 160 160 THR H H 160 8.100 8.100 7.482 0.618 17717 7807 1 8 . 1 1 161 161 GLN N N 161 122.440 122.440 117.283 5.157 17717 7808 1 8 . 1 1 161 161 GLN HA H 161 4.220 4.220 4.336 -0.116 17717 7809 1 8 . 1 1 161 161 GLN CA C 161 56.900 56.900 57.980 -1.081 17717 7810 1 8 . 1 1 161 161 GLN CB C 161 26.160 26.160 28.952 -2.792 17717 7811 1 8 . 1 1 161 161 GLN H H 161 8.070 8.070 7.969 0.101 17717 7812 1 8 . 1 1 162 162 LEU N N 162 115.398 115.398 121.396 -5.998 17717 7813 1 8 . 1 1 162 162 LEU HA H 162 4.220 4.220 4.856 -0.636 17717 7814 1 8 . 1 1 162 162 LEU CA C 162 56.500 56.500 55.327 1.173 17717 7815 1 8 . 1 1 162 162 LEU CB C 162 41.000 41.000 41.157 -0.157 17717 7816 1 8 . 1 1 162 162 LEU H H 162 7.980 7.980 7.696 0.284 17717 7817 1 8 . 1 1 163 163 ALA N N 163 122.210 122.210 123.454 -1.244 17717 7818 1 8 . 1 1 163 163 ALA HA H 163 4.260 4.260 4.112 0.148 17717 7819 1 8 . 1 1 163 163 ALA CA C 163 56.560 56.560 56.738 -0.178 17717 7820 1 8 . 1 1 163 163 ALA CB C 163 15.000 15.000 16.106 -1.106 17717 7821 1 8 . 1 1 163 163 ALA H H 163 7.460 7.460 8.292 -0.832 17717 7822 1 8 . 1 1 164 164 PRO CA C 164 62.800 62.800 65.483 -2.683 17717 7823 1 8 . 1 1 164 164 PRO CB C 164 31.500 31.500 31.141 0.359 17717 7824 1 8 . 1 1 165 165 HIS N N 165 120.080 120.080 117.408 2.672 17717 7825 1 8 . 1 1 165 165 HIS HA H 165 4.390 4.390 4.148 0.242 17717 7826 1 8 . 1 1 165 165 HIS CA C 165 56.000 56.000 59.464 -3.464 17717 7827 1 8 . 1 1 165 165 HIS CB C 165 28.400 28.400 29.364 -0.964 17717 7828 1 8 . 1 1 165 165 HIS H H 165 8.060 8.060 7.976 0.084 17717 7829 1 8 . 1 1 166 166 SER N N 166 116.366 116.366 114.356 2.010 17717 7830 1 8 . 1 1 166 166 SER HA H 166 4.300 4.300 3.657 0.643 17717 7831 1 8 . 1 1 166 166 SER CA C 166 61.200 61.200 61.624 -0.424 17717 7832 1 8 . 1 1 166 166 SER CB C 166 63.000 63.000 62.683 0.317 17717 7833 1 8 . 1 1 166 166 SER H H 166 8.040 8.040 7.806 0.234 17717 7834 1 8 . 1 1 167 167 GLU N N 167 121.678 121.678 121.829 -0.151 17717 7835 1 8 . 1 1 167 167 GLU HA H 167 3.922 3.922 4.037 -0.115 17717 7836 1 8 . 1 1 167 167 GLU CA C 167 62.800 62.800 59.020 3.780 17717 7837 1 8 . 1 1 167 167 GLU CB C 167 31.100 31.100 29.596 1.504 17717 7838 1 8 . 1 1 167 167 GLU H H 167 7.760 7.760 7.750 0.010 17717 7839 1 8 . 1 1 168 168 GLN N N 168 121.147 121.147 119.769 1.378 17717 7840 1 8 . 1 1 168 168 GLN HA H 168 4.320 4.320 4.094 0.226 17717 7841 1 8 . 1 1 168 168 GLN CA C 168 55.300 55.300 59.114 -3.814 17717 7842 1 8 . 1 1 168 168 GLN CB C 168 28.200 28.200 28.879 -0.679 17717 7843 1 8 . 1 1 168 168 GLN H H 168 8.450 8.450 8.175 0.275 17717 7844 1 8 . 1 1 170 170 ARG CA C 170 58.370 58.370 59.099 -0.729 17717 7845 1 8 . 1 1 170 170 ARG CB C 170 28.900 28.900 30.032 -1.132 17717 7846 1 8 . 1 1 171 171 GLU N N 171 117.960 117.960 119.102 -1.142 17717 7847 1 8 . 1 1 171 171 GLU HA H 171 4.140 4.140 4.206 -0.066 17717 7848 1 8 . 1 1 171 171 GLU CA C 171 57.300 57.300 59.237 -1.937 17717 7849 1 8 . 1 1 171 171 GLU CB C 171 29.200 29.200 29.476 -0.276 17717 7850 1 8 . 1 1 171 171 GLU H H 171 7.730 7.730 7.785 -0.055 17717 7851 1 8 . 1 1 172 172 SER N N 172 116.366 116.366 116.796 -0.430 17717 7852 1 8 . 1 1 172 172 SER HA H 172 4.270 4.270 4.190 0.080 17717 7853 1 8 . 1 1 172 172 SER CA C 172 58.000 58.000 62.244 -4.244 17717 7854 1 8 . 1 1 172 172 SER CB C 172 63.000 63.000 62.511 0.489 17717 7855 1 8 . 1 1 172 172 SER H H 172 8.320 8.320 8.728 -0.408 17717 7856 1 8 . 1 1 173 173 LEU N N 173 124.866 124.866 122.253 2.613 17717 7857 1 8 . 1 1 173 173 LEU HA H 173 4.352 4.352 4.078 0.274 17717 7858 1 8 . 1 1 173 173 LEU CA C 173 54.540 54.540 57.526 -2.986 17717 7859 1 8 . 1 1 173 173 LEU CB C 173 41.400 41.400 41.329 0.071 17717 7860 1 8 . 1 1 173 173 LEU H H 173 8.260 8.260 7.768 0.492 17717 7861 1 8 . 1 1 174 174 ALA N N 174 126.460 126.460 121.165 5.295 17717 7862 1 8 . 1 1 174 174 ALA HA H 174 4.270 4.270 3.796 0.474 17717 7863 1 8 . 1 1 174 174 ALA CA C 174 55.400 55.400 54.775 0.625 17717 7864 1 8 . 1 1 174 174 ALA CB C 174 17.200 17.200 18.029 -0.828 17717 7865 1 8 . 1 1 174 174 ALA H H 174 8.210 8.210 7.434 0.776 17717 7866 1 8 . 1 1 175 175 GLN N N 175 117.430 117.430 118.271 -0.841 17717 7867 1 8 . 1 1 175 175 GLN HA H 175 4.060 4.060 3.998 0.062 17717 7868 1 8 . 1 1 175 175 GLN CA C 175 58.600 58.600 58.216 0.384 17717 7869 1 8 . 1 1 175 175 GLN CB C 175 27.400 27.400 28.672 -1.272 17717 7870 1 8 . 1 1 175 175 GLN H H 175 8.450 8.450 7.902 0.548 17717 7871 1 8 . 1 1 176 176 ARG N N 176 119.550 119.550 121.512 -1.962 17717 7872 1 8 . 1 1 176 176 ARG HA H 176 4.180 4.180 3.866 0.314 17717 7873 1 8 . 1 1 176 176 ARG CA C 176 56.900 56.900 60.035 -3.135 17717 7874 1 8 . 1 1 176 176 ARG CB C 176 29.300 29.300 30.237 -0.937 17717 7875 1 8 . 1 1 176 176 ARG H H 176 8.070 8.070 8.295 -0.225 17717 7876 1 8 . 1 1 177 177 LEU N N 177 115.840 115.840 116.395 -0.555 17717 7877 1 8 . 1 1 177 177 LEU HA H 177 4.180 4.180 3.909 0.271 17717 7878 1 8 . 1 1 177 177 LEU CA C 177 56.900 56.900 57.930 -1.030 17717 7879 1 8 . 1 1 177 177 LEU CB C 177 40.100 40.100 40.926 -0.826 17717 7880 1 8 . 1 1 177 177 LEU H H 177 8.330 8.330 7.482 0.848 17717 7881 1 8 . 1 1 178 178 ALA N N 178 121.220 121.220 121.413 -0.193 17717 7882 1 8 . 1 1 178 178 ALA HA H 178 3.880 3.880 3.927 -0.047 17717 7883 1 8 . 1 1 178 178 ALA CA C 178 54.600 54.600 54.723 -0.123 17717 7884 1 8 . 1 1 178 178 ALA CB C 178 16.900 16.900 17.980 -1.080 17717 7885 1 8 . 1 1 178 178 ALA H H 178 8.570 8.570 7.510 1.060 17717 7886 1 8 . 1 1 179 179 GLU N N 179 118.490 118.490 120.328 -1.838 17717 7887 1 8 . 1 1 179 179 GLU HA H 179 4.180 4.180 4.078 0.102 17717 7888 1 8 . 1 1 179 179 GLU CA C 179 56.600 56.600 58.914 -2.314 17717 7889 1 8 . 1 1 179 179 GLU CB C 179 29.000 29.000 29.723 -0.723 17717 7890 1 8 . 1 1 179 179 GLU H H 179 7.680 7.680 8.005 -0.325 17717 7891 1 8 . 1 1 180 180 LEU N N 180 117.730 117.730 118.518 -0.788 17717 7892 1 8 . 1 1 180 180 LEU HA H 180 4.265 4.265 3.939 0.326 17717 7893 1 8 . 1 1 180 180 LEU CA C 180 55.020 55.020 57.173 -2.153 17717 7894 1 8 . 1 1 180 180 LEU CB C 180 41.100 41.100 41.562 -0.462 17717 7895 1 8 . 1 1 180 180 LEU H H 180 7.680 7.680 7.552 0.128 17717 7896 1 8 . 1 1 181 181 LYS N N 181 117.400 117.400 118.173 -0.773 17717 7897 1 8 . 1 1 181 181 LYS HA H 181 4.480 4.480 3.886 0.594 17717 7898 1 8 . 1 1 181 181 LYS CA C 181 61.900 61.900 58.312 3.588 17717 7899 1 8 . 1 1 181 181 LYS CB C 181 31.800 31.800 32.450 -0.650 17717 7900 1 8 . 1 1 181 181 LYS H H 181 7.510 7.510 7.781 -0.271 17717 7901 1 8 . 1 1 182 182 SER N N 182 114.010 114.010 114.303 -0.293 17717 7902 1 8 . 1 1 182 182 SER HA H 182 4.350 4.350 4.268 0.082 17717 7903 1 8 . 1 1 182 182 SER CA C 182 58.000 58.000 60.027 -2.027 17717 7904 1 8 . 1 1 182 182 SER CB C 182 63.300 63.300 64.072 -0.772 17717 7905 1 8 . 1 1 182 182 SER H H 182 7.920 7.920 7.967 -0.047 17717 7906 1 8 . 1 1 183 183 ASN N N 183 123.040 123.040 113.743 9.297 17717 7907 1 8 . 1 1 183 183 ASN HA H 183 4.310 4.310 4.833 -0.523 17717 7908 1 8 . 1 1 183 183 ASN CA C 183 55.115 55.115 51.860 3.255 17717 7909 1 8 . 1 1 183 183 ASN CB C 183 37.838 37.838 38.079 -0.241 17717 7910 1 8 . 1 1 183 183 ASN H H 183 8.250 8.250 7.654 0.596 17717 7911 1 8 . 1 1 184 184 PRO CA C 184 63.180 63.180 63.026 0.154 17717 7912 1 8 . 1 1 184 184 PRO CB C 184 31.400 31.400 31.089 0.311 17717 7913 1 8 . 1 1 185 185 THR N N 185 114.240 114.240 120.291 -6.051 17717 7914 1 8 . 1 1 185 185 THR HA H 185 4.270 4.270 4.094 0.176 17717 7915 1 8 . 1 1 185 185 THR CA C 185 61.200 61.200 65.489 -4.289 17717 7916 1 8 . 1 1 185 185 THR CB C 185 69.100 69.100 69.474 -0.374 17717 7917 1 8 . 1 1 185 185 THR H H 185 8.150 8.150 8.900 -0.750 17717 7918 1 8 . 1 1 186 186 LEU N N 186 123.270 123.270 119.548 3.722 17717 7919 1 8 . 1 1 186 186 LEU HA H 186 4.350 4.350 4.441 -0.091 17717 7920 1 8 . 1 1 186 186 LEU CA C 186 55.000 55.000 55.218 -0.217 17717 7921 1 8 . 1 1 186 186 LEU CB C 186 41.000 41.000 43.181 -2.181 17717 7922 1 8 . 1 1 186 186 LEU H H 186 8.430 8.430 8.298 0.132 17717 7923 1 8 . 1 1 187 187 ASN N N 187 119.020 119.020 121.513 -2.493 17717 7924 1 8 . 1 1 187 187 ASN HA H 187 4.530 4.530 4.947 -0.417 17717 7925 1 8 . 1 1 187 187 ASN CA C 187 53.400 53.400 53.446 -0.046 17717 7926 1 8 . 1 1 187 187 ASN CB C 187 37.900 37.900 40.008 -2.108 17717 7927 1 8 . 1 1 187 187 ASN H H 187 8.370 8.370 8.441 -0.071 17717 7928 1 8 . 1 1 188 188 GLU N N 188 123.270 123.270 122.915 0.355 17717 7929 1 8 . 1 1 188 188 GLU HA H 188 4.000 4.000 4.386 -0.386 17717 7930 1 8 . 1 1 188 188 GLU CA C 188 61.700 61.700 56.400 5.300 17717 7931 1 8 . 1 1 188 188 GLU CB C 188 32.100 32.100 29.300 2.800 17717 7932 1 8 . 1 1 188 188 GLU H H 188 7.870 7.870 8.571 -0.701 17717 7933 1 8 . 1 1 189 189 TYR N N 189 122.210 122.210 123.227 -1.017 17717 7934 1 8 . 1 1 189 189 TYR HA H 189 4.440 4.440 4.574 -0.135 17717 7935 1 8 . 1 1 189 189 TYR CA C 189 57.120 57.120 58.026 -0.906 17717 7936 1 8 . 1 1 189 189 TYR CB C 189 40.000 40.000 41.013 -1.013 17717 7937 1 8 . 1 1 189 189 TYR H H 189 8.590 8.590 7.865 0.725 17717 7938 1 8 . 1 1 190 190 HIS N N 190 124.866 124.866 127.642 -2.776 17717 7939 1 8 . 1 1 190 190 HIS HA H 190 4.780 4.780 4.742 0.038 17717 7940 1 8 . 1 1 190 190 HIS CA C 190 56.000 56.000 55.636 0.364 17717 7941 1 8 . 1 1 190 190 HIS CB C 190 29.400 29.400 27.711 1.689 17717 7942 1 8 . 1 1 190 190 HIS H H 190 8.420 8.420 8.535 -0.115 17717 7943 1 8 . 1 1 191 191 SER N N 191 117.429 117.429 117.255 0.174 17717 7944 1 8 . 1 1 191 191 SER HA H 191 4.140 4.140 4.368 -0.228 17717 7945 1 8 . 1 1 191 191 SER CA C 191 58.140 58.140 59.887 -1.747 17717 7946 1 8 . 1 1 191 191 SER CB C 191 63.140 63.140 63.552 -0.412 17717 7947 1 8 . 1 1 191 191 SER H H 191 8.270 8.270 8.264 0.006 17717 7948 1 8 . 1 1 192 192 SER N N 192 124.335 124.335 122.080 2.255 17717 7949 1 8 . 1 1 192 192 SER HA H 192 4.730 4.730 4.662 0.068 17717 7950 1 8 . 1 1 192 192 SER CA C 192 59.020 59.020 58.831 0.188 17717 7951 1 8 . 1 1 192 192 SER CB C 192 63.000 63.000 64.393 -1.393 17717 7952 1 8 . 1 1 192 192 SER H H 192 8.010 8.010 8.276 -0.266 17717 7953 1 8 . 1 1 193 193 ALA N N 193 125.930 125.930 122.303 3.627 17717 7954 1 8 . 1 1 193 193 ALA HA H 193 4.310 4.310 4.261 0.049 17717 7955 1 8 . 1 1 193 193 ALA CA C 193 52.300 52.300 53.048 -0.748 17717 7956 1 8 . 1 1 193 193 ALA CB C 193 18.000 18.000 18.124 -0.124 17717 7957 1 8 . 1 1 193 193 ALA H H 193 8.100 8.100 8.238 -0.138 17717 7958 1 8 . 1 1 194 194 LYS N N 194 126.460 126.460 120.540 5.920 17717 7959 1 8 . 1 1 194 194 LYS HA H 194 4.220 4.220 4.400 -0.180 17717 7960 1 8 . 1 1 194 194 LYS CA C 194 56.600 56.600 56.707 -0.107 17717 7961 1 8 . 1 1 194 194 LYS CB C 194 33.000 33.000 33.252 -0.252 17717 7962 1 8 . 1 1 194 194 LYS H H 194 7.860 7.860 7.927 -0.067 17717 7963 1 8 . 1 1 195 195 SER N N 195 117.429 117.429 117.594 -0.165 17717 7964 1 8 . 1 1 195 195 SER HA H 195 4.430 4.430 4.796 -0.366 17717 7965 1 8 . 1 1 195 195 SER CA C 195 58.499 58.499 57.126 1.373 17717 7966 1 8 . 1 1 195 195 SER CB C 195 63.129 63.129 62.658 0.471 17717 7967 1 8 . 1 1 195 195 SER H H 195 8.240 8.240 8.398 -0.158 17717 7968 1 8 . 1 1 196 196 HIS N N 196 122.440 122.440 124.164 -1.724 17717 7969 1 8 . 1 1 196 196 HIS HA H 196 4.222 4.222 4.458 -0.236 17717 7970 1 8 . 1 1 196 196 HIS CA C 196 55.743 55.743 58.339 -2.596 17717 7971 1 8 . 1 1 196 196 HIS CB C 196 28.566 28.566 30.097 -1.531 17717 7972 1 8 . 1 1 196 196 HIS H H 196 8.044 8.044 8.521 -0.477 17717 7973 1 8 . 1 1 197 197 LEU N N 197 117.429 117.429 120.671 -3.242 17717 7974 1 8 . 1 1 197 197 LEU HA H 197 4.179 4.179 3.972 0.207 17717 7975 1 8 . 1 1 197 197 LEU CA C 197 54.540 54.540 58.850 -4.310 17717 7976 1 8 . 1 1 197 197 LEU CB C 197 40.040 40.040 41.859 -1.819 17717 7977 1 8 . 1 1 197 197 LEU H H 197 8.044 8.044 8.427 -0.383 17717 7978 1 8 . 1 1 198 198 LYS N N 198 117.430 117.430 118.319 -0.889 17717 7979 1 8 . 1 1 198 198 LYS HA H 198 4.140 4.140 4.032 0.108 17717 7980 1 8 . 1 1 198 198 LYS CA C 198 57.600 57.600 59.091 -1.491 17717 7981 1 8 . 1 1 198 198 LYS CB C 198 32.000 32.000 31.740 0.260 17717 7982 1 8 . 1 1 198 198 LYS H H 198 7.510 7.510 8.242 -0.732 17717 7983 1 8 . 1 1 199 199 SER N N 199 114.315 114.315 116.079 -1.764 17717 7984 1 8 . 1 1 199 199 SER HA H 199 4.310 4.310 3.734 0.576 17717 7985 1 8 . 1 1 199 199 SER CA C 199 62.000 62.000 60.545 1.455 17717 7986 1 8 . 1 1 199 199 SER CB C 199 63.600 63.600 62.480 1.120 17717 7987 1 8 . 1 1 199 199 SER H H 199 7.930 7.930 7.423 0.507 17717 7988 1 8 . 1 1 200 200 LEU N N 200 124.335 124.335 122.418 1.917 17717 7989 1 8 . 1 1 200 200 LEU HA H 200 4.260 4.260 4.161 0.099 17717 7990 1 8 . 1 1 200 200 LEU CA C 200 55.200 55.200 57.484 -2.284 17717 7991 1 8 . 1 1 200 200 LEU CB C 200 41.200 41.200 41.920 -0.720 17717 7992 1 8 . 1 1 200 200 LEU H H 200 8.170 8.170 8.256 -0.086 17717 7993 1 8 . 1 1 201 201 GLY N N 201 109.990 109.990 106.224 3.766 17717 7994 1 8 . 1 1 201 201 GLY CA C 201 44.700 44.700 46.787 -2.087 17717 7995 1 8 . 1 1 201 201 GLY H H 201 8.290 8.290 7.840 0.450 17717 7996 1 8 . 1 1 202 202 GLU N N 202 126.460 126.460 119.214 7.246 17717 7997 1 8 . 1 1 202 202 GLU HA H 202 4.220 4.220 4.242 -0.022 17717 7998 1 8 . 1 1 202 202 GLU CA C 202 56.600 56.600 58.041 -1.442 17717 7999 1 8 . 1 1 202 202 GLU CB C 202 32.800 32.800 29.885 2.915 17717 8000 1 8 . 1 1 202 202 GLU H H 202 7.750 7.750 7.859 -0.109 17717 8001 1 8 . 1 1 203 203 LYS CA C 203 55.775 55.775 54.818 0.957 17717 8002 1 8 . 1 1 203 203 LYS CB C 203 32.283 32.283 33.108 -0.825 17717 8003 1 8 . 1 1 204 204 ALA N N 204 125.390 125.390 121.543 3.847 17717 8004 1 8 . 1 1 204 204 ALA HA H 204 4.310 4.310 4.610 -0.300 17717 8005 1 8 . 1 1 204 204 ALA CA C 204 52.000 52.000 50.537 1.463 17717 8006 1 8 . 1 1 204 204 ALA CB C 204 18.400 18.400 21.068 -2.668 17717 8007 1 8 . 1 1 204 204 ALA H H 204 8.180 8.180 7.080 1.100 17717 8008 1 8 . 1 1 205 205 ARG N N 205 121.150 121.150 119.682 1.468 17717 8009 1 8 . 1 1 205 205 ARG HA H 205 4.270 4.270 4.253 0.017 17717 8010 1 8 . 1 1 205 205 ARG CA C 205 56.384 56.384 55.710 0.674 17717 8011 1 8 . 1 1 205 205 ARG CB C 205 29.193 29.193 30.120 -0.927 17717 8012 1 8 . 1 1 205 205 ARG H H 205 8.350 8.350 8.555 -0.205 17717 8013 1 8 . 1 1 206 206 PRO CA C 206 62.600 62.600 63.867 -1.267 17717 8014 1 8 . 1 1 206 206 PRO CB C 206 31.400 31.400 30.072 1.329 17717 8015 1 8 . 1 1 207 207 ALA N N 207 125.400 125.400 124.044 1.356 17717 8016 1 8 . 1 1 207 207 ALA HA H 207 4.308 4.308 4.389 -0.081 17717 8017 1 8 . 1 1 207 207 ALA CA C 207 51.700 51.700 53.474 -1.774 17717 8018 1 8 . 1 1 207 207 ALA CB C 207 18.200 18.200 19.763 -1.563 17717 8019 1 8 . 1 1 207 207 ALA H H 207 8.400 8.400 8.465 -0.065 17717 8020 1 8 . 1 1 208 208 LEU N N 208 121.680 121.680 121.380 0.300 17717 8021 1 8 . 1 1 208 208 LEU HA H 208 4.480 4.480 4.296 0.184 17717 8022 1 8 . 1 1 208 208 LEU CA C 208 55.100 55.100 56.559 -1.459 17717 8023 1 8 . 1 1 208 208 LEU CB C 208 41.200 41.200 42.721 -1.521 17717 8024 1 8 . 1 1 208 208 LEU H H 208 8.180 8.180 7.827 0.353 17717 8025 1 8 . 1 1 209 209 GLU N N 209 121.147 121.147 120.239 0.908 17717 8026 1 8 . 1 1 209 209 GLU HA H 209 4.180 4.180 3.956 0.224 17717 8027 1 8 . 1 1 209 209 GLU CA C 209 56.477 56.477 59.566 -3.089 17717 8028 1 8 . 1 1 209 209 GLU CB C 209 29.250 29.250 28.555 0.695 17717 8029 1 8 . 1 1 209 209 GLU H H 209 8.380 8.380 8.609 -0.229 17717 8030 1 8 . 1 1 210 210 ASP N N 210 121.147 121.147 119.172 1.975 17717 8031 1 8 . 1 1 210 210 ASP HA H 210 4.260 4.260 4.512 -0.252 17717 8032 1 8 . 1 1 210 210 ASP CA C 210 55.000 55.000 56.852 -1.852 17717 8033 1 8 . 1 1 210 210 ASP CB C 210 37.200 37.200 40.736 -3.536 17717 8034 1 8 . 1 1 210 210 ASP H H 210 8.280 8.280 7.982 0.297 17717 8035 1 8 . 1 1 211 211 LEU N N 211 122.210 122.210 120.050 2.160 17717 8036 1 8 . 1 1 211 211 LEU HA H 211 4.220 4.220 4.160 0.060 17717 8037 1 8 . 1 1 211 211 LEU CA C 211 57.400 57.400 57.046 0.354 17717 8038 1 8 . 1 1 211 211 LEU CB C 211 39.430 39.430 41.586 -2.156 17717 8039 1 8 . 1 1 211 211 LEU H H 211 8.640 8.640 7.571 1.069 17717 8040 1 8 . 1 1 212 212 ARG N N 212 119.550 119.550 120.671 -1.121 17717 8041 1 8 . 1 1 212 212 ARG HA H 212 4.220 4.220 3.886 0.334 17717 8042 1 8 . 1 1 212 212 ARG CA C 212 57.400 57.400 59.435 -2.035 17717 8043 1 8 . 1 1 212 212 ARG CB C 212 29.600 29.600 30.066 -0.466 17717 8044 1 8 . 1 1 212 212 ARG H H 212 7.910 7.910 8.166 -0.256 17717 8045 1 8 . 1 1 213 213 HIS CA C 213 56.200 56.200 59.110 -2.910 17717 8046 1 8 . 1 1 213 213 HIS CB C 213 31.900 31.900 29.951 1.950 17717 8047 1 8 . 1 1 214 214 SER N N 214 116.366 116.366 114.507 1.859 17717 8048 1 8 . 1 1 214 214 SER HA H 214 4.265 4.265 4.270 -0.005 17717 8049 1 8 . 1 1 214 214 SER CA C 214 61.100 61.100 59.825 1.275 17717 8050 1 8 . 1 1 214 214 SER CB C 214 63.100 63.100 63.651 -0.551 17717 8051 1 8 . 1 1 214 214 SER H H 214 8.140 8.140 7.574 0.566 17717 8052 1 8 . 1 1 215 215 LEU N N 215 130.565 130.565 122.977 7.588 17717 8053 1 8 . 1 1 215 215 LEU HA H 215 4.730 4.730 4.175 0.555 17717 8054 1 8 . 1 1 215 215 LEU CA C 215 54.900 54.900 55.487 -0.587 17717 8055 1 8 . 1 1 215 215 LEU CB C 215 42.000 42.000 42.901 -0.901 17717 8056 1 8 . 1 1 215 215 LEU H H 215 7.890 7.890 7.744 0.146 17717 8057 1 9 . 1 1 2 2 GLU N N 2 121.678 121.678 122.433 -0.755 17717 8058 1 9 . 1 1 2 2 GLU HA H 2 4.488 4.488 4.366 0.122 17717 8059 1 9 . 1 1 2 2 GLU CA C 2 56.418 56.418 55.633 0.785 17717 8060 1 9 . 1 1 2 2 GLU CB C 2 29.014 29.014 30.500 -1.486 17717 8061 1 9 . 1 1 2 2 GLU H H 2 8.276 8.276 8.370 -0.094 17717 8062 1 9 . 1 1 3 3 PRO CA C 3 62.923 62.923 63.901 -0.979 17717 8063 1 9 . 1 1 3 3 PRO CB C 3 31.547 31.547 31.971 -0.423 17717 8064 1 9 . 1 1 4 4 GLN N N 4 121.147 121.147 119.418 1.729 17717 8065 1 9 . 1 1 4 4 GLN HA H 4 4.349 4.349 4.375 -0.026 17717 8066 1 9 . 1 1 4 4 GLN CA C 4 55.450 55.450 56.198 -0.748 17717 8067 1 9 . 1 1 4 4 GLN CB C 4 28.854 28.854 29.585 -0.731 17717 8068 1 9 . 1 1 4 4 GLN H H 4 8.500 8.500 8.160 0.340 17717 8069 1 9 . 1 1 5 5 SER N N 5 117.429 117.429 113.182 4.247 17717 8070 1 9 . 1 1 5 5 SER HA H 5 4.329 4.329 3.381 0.948 17717 8071 1 9 . 1 1 5 5 SER CA C 5 58.100 58.100 57.383 0.717 17717 8072 1 9 . 1 1 5 5 SER CB C 5 63.485 63.485 63.084 0.401 17717 8073 1 9 . 1 1 5 5 SER H H 5 8.370 8.370 8.223 0.147 17717 8074 1 9 . 1 1 6 6 GLN N N 6 123.803 123.803 120.795 3.008 17717 8075 1 9 . 1 1 6 6 GLN CA C 6 56.330 56.330 58.265 -1.935 17717 8076 1 9 . 1 1 6 6 GLN CB C 6 28.800 28.800 28.834 -0.034 17717 8077 1 9 . 1 1 6 6 GLN H H 6 8.620 8.620 8.117 0.503 17717 8078 1 9 . 1 1 7 7 TRP N N 7 119.022 119.022 118.623 0.399 17717 8079 1 9 . 1 1 7 7 TRP HA H 7 4.394 4.394 4.406 -0.012 17717 8080 1 9 . 1 1 7 7 TRP CA C 7 59.800 59.800 59.809 -0.009 17717 8081 1 9 . 1 1 7 7 TRP CB C 7 27.800 27.800 27.856 -0.056 17717 8082 1 9 . 1 1 7 7 TRP H H 7 7.970 7.970 8.393 -0.423 17717 8083 1 9 . 1 1 8 8 ASP N N 8 121.678 121.678 119.511 2.167 17717 8084 1 9 . 1 1 8 8 ASP HA H 8 4.409 4.409 4.156 0.253 17717 8085 1 9 . 1 1 8 8 ASP CA C 8 56.912 56.912 57.259 -0.347 17717 8086 1 9 . 1 1 8 8 ASP CB C 8 38.400 38.400 39.772 -1.371 17717 8087 1 9 . 1 1 8 8 ASP H H 8 8.440 8.440 7.547 0.893 17717 8088 1 9 . 1 1 9 9 LYS N N 9 120.616 120.616 120.690 -0.074 17717 8089 1 9 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.116 -0.026 17717 8090 1 9 . 1 1 9 9 LYS CA C 9 58.277 58.277 58.566 -0.289 17717 8091 1 9 . 1 1 9 9 LYS CB C 9 31.550 31.550 32.036 -0.486 17717 8092 1 9 . 1 1 9 9 LYS H H 9 7.830 7.830 7.189 0.641 17717 8093 1 9 . 1 1 10 10 VAL N N 10 118.491 118.491 115.437 3.054 17717 8094 1 9 . 1 1 10 10 VAL HA H 10 3.830 3.830 4.147 -0.317 17717 8095 1 9 . 1 1 10 10 VAL CA C 10 65.630 65.630 66.766 -1.136 17717 8096 1 9 . 1 1 10 10 VAL CB C 10 31.300 31.300 31.282 0.018 17717 8097 1 9 . 1 1 10 10 VAL H H 10 7.160 7.160 8.166 -1.006 17717 8098 1 9 . 1 1 11 11 LYS N N 11 122.210 122.210 119.105 3.105 17717 8099 1 9 . 1 1 11 11 LYS HA H 11 3.880 3.880 3.836 0.044 17717 8100 1 9 . 1 1 11 11 LYS CA C 11 59.460 59.460 59.327 0.133 17717 8101 1 9 . 1 1 11 11 LYS CB C 11 31.200 31.200 31.975 -0.775 17717 8102 1 9 . 1 1 11 11 LYS H H 11 8.660 8.660 7.696 0.964 17717 8103 1 9 . 1 1 12 12 ASP N N 12 119.553 119.553 120.570 -1.017 17717 8104 1 9 . 1 1 12 12 ASP HA H 12 4.140 4.140 4.397 -0.257 17717 8105 1 9 . 1 1 12 12 ASP CA C 12 57.381 57.381 56.971 0.410 17717 8106 1 9 . 1 1 12 12 ASP CB C 12 39.800 39.800 40.760 -0.960 17717 8107 1 9 . 1 1 12 12 ASP H H 12 7.790 7.790 7.768 0.022 17717 8108 1 9 . 1 1 13 13 PHE N N 13 116.500 116.500 118.997 -2.497 17717 8109 1 9 . 1 1 13 13 PHE HA H 13 4.690 4.690 4.242 0.448 17717 8110 1 9 . 1 1 13 13 PHE CA C 13 58.662 58.662 60.308 -1.646 17717 8111 1 9 . 1 1 13 13 PHE CB C 13 38.700 38.700 37.986 0.714 17717 8112 1 9 . 1 1 13 13 PHE H H 13 7.680 7.680 7.681 -0.001 17717 8113 1 9 . 1 1 14 14 ALA N N 14 122.209 122.209 122.557 -0.348 17717 8114 1 9 . 1 1 14 14 ALA HA H 14 4.008 4.008 3.602 0.406 17717 8115 1 9 . 1 1 14 14 ALA CA C 14 54.550 54.550 54.732 -0.182 17717 8116 1 9 . 1 1 14 14 ALA CB C 14 17.250 17.250 17.990 -0.740 17717 8117 1 9 . 1 1 14 14 ALA H H 14 8.760 8.760 7.342 1.418 17717 8118 1 9 . 1 1 15 15 ASN N N 15 119.553 119.553 115.167 4.386 17717 8119 1 9 . 1 1 15 15 ASN HA H 15 4.520 4.520 4.353 0.167 17717 8120 1 9 . 1 1 15 15 ASN CA C 15 56.084 56.084 55.234 0.850 17717 8121 1 9 . 1 1 15 15 ASN CB C 15 38.544 38.544 38.369 0.175 17717 8122 1 9 . 1 1 15 15 ASN H H 15 8.930 8.930 7.530 1.400 17717 8123 1 9 . 1 1 16 16 VAL N N 16 116.897 116.897 121.780 -4.883 17717 8124 1 9 . 1 1 16 16 VAL HA H 16 3.590 3.590 3.606 -0.016 17717 8125 1 9 . 1 1 16 16 VAL CA C 16 64.600 64.600 67.610 -3.010 17717 8126 1 9 . 1 1 16 16 VAL CB C 16 31.800 31.800 31.557 0.243 17717 8127 1 9 . 1 1 16 16 VAL H H 16 7.870 7.870 7.443 0.427 17717 8128 1 9 . 1 1 17 17 TYR N N 17 112.116 112.116 118.113 -5.997 17717 8129 1 9 . 1 1 17 17 TYR HA H 17 4.751 4.751 4.309 0.442 17717 8130 1 9 . 1 1 17 17 TYR CA C 17 59.040 59.040 60.821 -1.781 17717 8131 1 9 . 1 1 17 17 TYR CB C 17 39.060 39.060 37.175 1.885 17717 8132 1 9 . 1 1 17 17 TYR H H 17 8.000 8.000 8.223 -0.223 17717 8133 1 9 . 1 1 18 18 VAL N N 18 114.241 114.241 120.535 -6.294 17717 8134 1 9 . 1 1 18 18 VAL HA H 18 4.220 4.220 3.404 0.816 17717 8135 1 9 . 1 1 18 18 VAL CA C 18 63.520 63.520 66.594 -3.074 17717 8136 1 9 . 1 1 18 18 VAL CB C 18 31.128 31.128 31.369 -0.241 17717 8137 1 9 . 1 1 18 18 VAL H H 18 7.600 7.600 6.779 0.821 17717 8138 1 9 . 1 1 19 19 ASP N N 19 123.272 123.272 120.132 3.140 17717 8139 1 9 . 1 1 19 19 ASP HA H 19 4.523 4.523 4.361 0.162 17717 8140 1 9 . 1 1 19 19 ASP CA C 19 56.445 56.445 57.690 -1.245 17717 8141 1 9 . 1 1 19 19 ASP CB C 19 38.700 38.700 40.923 -2.224 17717 8142 1 9 . 1 1 19 19 ASP H H 19 8.890 8.890 8.138 0.752 17717 8143 1 9 . 1 1 20 20 ALA N N 20 118.491 118.491 122.760 -4.269 17717 8144 1 9 . 1 1 20 20 ALA HA H 20 4.230 4.230 4.191 0.039 17717 8145 1 9 . 1 1 20 20 ALA CA C 20 54.100 54.100 55.334 -1.234 17717 8146 1 9 . 1 1 20 20 ALA CB C 20 18.760 18.760 18.890 -0.130 17717 8147 1 9 . 1 1 20 20 ALA H H 20 6.630 6.630 7.597 -0.967 17717 8148 1 9 . 1 1 21 21 VAL N N 21 116.897 116.897 116.782 0.115 17717 8149 1 9 . 1 1 21 21 VAL HA H 21 3.664 3.664 3.757 -0.093 17717 8150 1 9 . 1 1 21 21 VAL CA C 21 66.200 66.200 65.701 0.499 17717 8151 1 9 . 1 1 21 21 VAL CB C 21 30.460 30.460 31.543 -1.083 17717 8152 1 9 . 1 1 21 21 VAL H H 21 7.410 7.410 7.696 -0.286 17717 8153 1 9 . 1 1 22 22 LYS N N 22 121.147 121.147 120.173 0.974 17717 8154 1 9 . 1 1 22 22 LYS HA H 22 4.222 4.222 4.047 0.175 17717 8155 1 9 . 1 1 22 22 LYS CA C 22 59.300 59.300 59.170 0.130 17717 8156 1 9 . 1 1 22 22 LYS CB C 22 31.100 31.100 31.997 -0.897 17717 8157 1 9 . 1 1 22 22 LYS H H 22 8.180 8.180 8.155 0.025 17717 8158 1 9 . 1 1 23 23 ASP N N 23 121.278 121.278 119.182 2.096 17717 8159 1 9 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.475 0.091 17717 8160 1 9 . 1 1 23 23 ASP CA C 23 56.300 56.300 56.862 -0.562 17717 8161 1 9 . 1 1 23 23 ASP CB C 23 38.800 38.800 40.560 -1.760 17717 8162 1 9 . 1 1 23 23 ASP H H 23 8.860 8.860 7.842 1.018 17717 8163 1 9 . 1 1 24 24 SER N N 24 118.491 118.491 115.028 3.463 17717 8164 1 9 . 1 1 24 24 SER HA H 24 4.132 4.132 3.743 0.389 17717 8165 1 9 . 1 1 24 24 SER CA C 24 61.600 61.600 60.821 0.779 17717 8166 1 9 . 1 1 24 24 SER CB C 24 62.442 62.442 62.336 0.106 17717 8167 1 9 . 1 1 24 24 SER H H 24 7.950 7.950 8.008 -0.059 17717 8168 1 9 . 1 1 25 25 GLY N N 25 108.377 108.377 110.892 -2.515 17717 8169 1 9 . 1 1 25 25 GLY CA C 25 44.400 44.400 46.729 -2.329 17717 8170 1 9 . 1 1 25 25 GLY H H 25 7.560 7.560 7.728 -0.168 17717 8171 1 9 . 1 1 26 26 ARG N N 26 124.240 124.240 121.356 2.884 17717 8172 1 9 . 1 1 26 26 ARG HA H 26 4.303 4.303 4.156 0.147 17717 8173 1 9 . 1 1 26 26 ARG CA C 26 54.000 54.000 58.425 -4.426 17717 8174 1 9 . 1 1 26 26 ARG CB C 26 28.240 28.240 29.890 -1.650 17717 8175 1 9 . 1 1 26 26 ARG H H 26 8.200 8.200 7.742 0.458 17717 8176 1 9 . 1 1 27 27 ASP N N 27 121.678 121.678 118.252 3.426 17717 8177 1 9 . 1 1 27 27 ASP HA H 27 4.211 4.211 4.555 -0.344 17717 8178 1 9 . 1 1 27 27 ASP CA C 27 58.380 58.380 57.132 1.248 17717 8179 1 9 . 1 1 27 27 ASP CB C 27 40.400 40.400 41.634 -1.234 17717 8180 1 9 . 1 1 27 27 ASP H H 27 7.880 7.880 7.705 0.175 17717 8181 1 9 . 1 1 28 28 TYR N N 28 121.440 121.440 121.338 0.102 17717 8182 1 9 . 1 1 28 28 TYR HA H 28 4.480 4.480 4.273 0.207 17717 8183 1 9 . 1 1 28 28 TYR CA C 28 57.800 57.800 60.478 -2.678 17717 8184 1 9 . 1 1 28 28 TYR CB C 28 38.322 38.322 38.697 -0.375 17717 8185 1 9 . 1 1 28 28 TYR H H 28 8.020 8.020 8.298 -0.278 17717 8186 1 9 . 1 1 29 29 VAL N N 29 123.272 123.272 118.610 4.662 17717 8187 1 9 . 1 1 29 29 VAL HA H 29 4.040 4.040 3.598 0.442 17717 8188 1 9 . 1 1 29 29 VAL CA C 29 66.400 66.400 64.589 1.811 17717 8189 1 9 . 1 1 29 29 VAL CB C 29 30.500 30.500 31.040 -0.540 17717 8190 1 9 . 1 1 29 29 VAL H H 29 8.280 8.280 8.213 0.067 17717 8191 1 9 . 1 1 30 30 SER N N 30 117.429 117.429 116.156 1.273 17717 8192 1 9 . 1 1 30 30 SER HA H 30 4.000 4.000 4.043 -0.043 17717 8193 1 9 . 1 1 30 30 SER CA C 30 61.070 61.070 61.958 -0.888 17717 8194 1 9 . 1 1 30 30 SER CB C 30 62.000 62.000 62.903 -0.903 17717 8195 1 9 . 1 1 30 30 SER H H 30 8.930 8.930 7.613 1.317 17717 8196 1 9 . 1 1 31 31 GLN N N 31 121.147 121.147 121.064 0.083 17717 8197 1 9 . 1 1 31 31 GLN HA H 31 4.136 4.136 4.042 0.094 17717 8198 1 9 . 1 1 31 31 GLN CA C 31 58.210 58.210 58.344 -0.134 17717 8199 1 9 . 1 1 31 31 GLN CB C 31 27.600 27.600 28.374 -0.774 17717 8200 1 9 . 1 1 31 31 GLN H H 31 7.740 7.740 7.385 0.355 17717 8201 1 9 . 1 1 32 32 PHE N N 32 117.429 117.429 119.819 -2.390 17717 8202 1 9 . 1 1 32 32 PHE HA H 32 4.020 4.020 3.920 0.100 17717 8203 1 9 . 1 1 32 32 PHE CA C 32 60.600 60.600 61.195 -0.595 17717 8204 1 9 . 1 1 32 32 PHE CB C 32 36.896 36.896 38.613 -1.717 17717 8205 1 9 . 1 1 32 32 PHE H H 32 7.200 7.200 7.556 -0.356 17717 8206 1 9 . 1 1 33 33 GLU N N 33 122.210 122.210 117.902 4.308 17717 8207 1 9 . 1 1 33 33 GLU HA H 33 4.769 4.769 3.506 1.263 17717 8208 1 9 . 1 1 33 33 GLU CA C 33 59.220 59.220 58.817 0.403 17717 8209 1 9 . 1 1 33 33 GLU CB C 33 29.240 29.240 29.075 0.165 17717 8210 1 9 . 1 1 33 33 GLU H H 33 8.160 8.160 7.622 0.538 17717 8211 1 9 . 1 1 34 34 SER N N 34 109.991 109.991 113.583 -3.592 17717 8212 1 9 . 1 1 34 34 SER HA H 34 4.309 4.309 4.244 0.065 17717 8213 1 9 . 1 1 34 34 SER CA C 34 58.240 58.240 60.943 -2.703 17717 8214 1 9 . 1 1 34 34 SER CB C 34 63.260 63.260 62.708 0.552 17717 8215 1 9 . 1 1 34 34 SER H H 34 7.890 7.890 7.372 0.518 17717 8216 1 9 . 1 1 35 35 SER N N 35 120.085 120.085 118.838 1.247 17717 8217 1 9 . 1 1 35 35 SER HA H 35 4.354 4.354 4.054 0.300 17717 8218 1 9 . 1 1 35 35 SER CA C 35 58.100 58.100 61.915 -3.815 17717 8219 1 9 . 1 1 35 35 SER CB C 35 64.398 64.398 62.811 1.587 17717 8220 1 9 . 1 1 35 35 SER H H 35 7.420 7.420 8.217 -0.797 17717 8221 1 9 . 1 1 36 36 SER N N 36 116.130 116.130 118.555 -2.425 17717 8222 1 9 . 1 1 36 36 SER HA H 36 4.350 4.350 4.041 0.309 17717 8223 1 9 . 1 1 36 36 SER CA C 36 58.600 58.600 61.914 -3.314 17717 8224 1 9 . 1 1 36 36 SER CB C 36 63.370 63.370 62.788 0.582 17717 8225 1 9 . 1 1 36 36 SER H H 36 8.100 8.100 7.488 0.612 17717 8226 1 9 . 1 1 37 37 LEU N N 37 121.678 121.678 121.478 0.200 17717 8227 1 9 . 1 1 37 37 LEU HA H 37 4.222 4.222 4.070 0.152 17717 8228 1 9 . 1 1 37 37 LEU CA C 37 56.400 56.400 56.995 -0.595 17717 8229 1 9 . 1 1 37 37 LEU CB C 37 41.200 41.200 41.782 -0.582 17717 8230 1 9 . 1 1 37 37 LEU H H 37 8.290 8.290 7.370 0.920 17717 8231 1 9 . 1 1 38 38 GLY N N 38 108.400 108.400 105.597 2.803 17717 8232 1 9 . 1 1 38 38 GLY CA C 38 46.220 46.220 46.517 -0.297 17717 8233 1 9 . 1 1 38 38 GLY H H 38 7.280 7.280 8.015 -0.735 17717 8234 1 9 . 1 1 39 39 GLN N N 39 120.920 120.920 122.618 -1.698 17717 8235 1 9 . 1 1 39 39 GLN HA H 39 4.092 4.092 3.953 0.139 17717 8236 1 9 . 1 1 39 39 GLN CA C 39 57.423 57.423 58.702 -1.278 17717 8237 1 9 . 1 1 39 39 GLN CB C 39 28.847 28.847 28.327 0.520 17717 8238 1 9 . 1 1 39 39 GLN H H 39 8.360 8.360 7.894 0.466 17717 8239 1 9 . 1 1 40 40 GLN N N 40 118.648 118.648 119.116 -0.468 17717 8240 1 9 . 1 1 40 40 GLN HA H 40 4.040 4.040 4.034 0.006 17717 8241 1 9 . 1 1 40 40 GLN CA C 40 57.471 57.471 58.564 -1.093 17717 8242 1 9 . 1 1 40 40 GLN CB C 40 28.777 28.777 28.372 0.405 17717 8243 1 9 . 1 1 40 40 GLN H H 40 7.630 7.630 7.655 -0.025 17717 8244 1 9 . 1 1 41 41 LEU N N 41 116.800 116.800 121.976 -5.176 17717 8245 1 9 . 1 1 41 41 LEU HA H 41 4.222 4.222 3.985 0.237 17717 8246 1 9 . 1 1 41 41 LEU CA C 41 55.400 55.400 58.173 -2.773 17717 8247 1 9 . 1 1 41 41 LEU CB C 41 41.754 41.754 42.097 -0.343 17717 8248 1 9 . 1 1 41 41 LEU H H 41 8.010 8.010 7.803 0.207 17717 8249 1 9 . 1 1 42 42 ASN N N 42 115.840 115.840 117.264 -1.424 17717 8250 1 9 . 1 1 42 42 ASN HA H 42 4.485 4.485 4.393 0.092 17717 8251 1 9 . 1 1 42 42 ASN CA C 42 53.500 53.500 56.283 -2.783 17717 8252 1 9 . 1 1 42 42 ASN CB C 42 37.000 37.000 38.671 -1.671 17717 8253 1 9 . 1 1 42 42 ASN H H 42 7.840 7.840 7.786 0.054 17717 8254 1 9 . 1 1 43 43 LEU N N 43 118.490 118.490 120.913 -2.423 17717 8255 1 9 . 1 1 43 43 LEU HA H 43 4.480 4.480 4.078 0.402 17717 8256 1 9 . 1 1 43 43 LEU CA C 43 55.502 55.502 57.536 -2.034 17717 8257 1 9 . 1 1 43 43 LEU CB C 43 41.200 41.200 41.139 0.061 17717 8258 1 9 . 1 1 43 43 LEU H H 43 9.670 9.670 8.085 1.585 17717 8259 1 9 . 1 1 44 44 ASN N N 44 119.553 119.553 118.074 1.479 17717 8260 1 9 . 1 1 44 44 ASN HA H 44 4.520 4.520 4.610 -0.090 17717 8261 1 9 . 1 1 44 44 ASN CA C 44 52.770 52.770 56.334 -3.564 17717 8262 1 9 . 1 1 44 44 ASN CB C 44 36.200 36.200 38.497 -2.297 17717 8263 1 9 . 1 1 44 44 ASN H H 44 8.950 8.950 8.038 0.912 17717 8264 1 9 . 1 1 45 45 LEU N N 45 119.553 119.553 118.554 0.999 17717 8265 1 9 . 1 1 45 45 LEU HA H 45 4.048 4.048 4.189 -0.141 17717 8266 1 9 . 1 1 45 45 LEU CA C 45 55.569 55.569 57.894 -2.325 17717 8267 1 9 . 1 1 45 45 LEU CB C 45 41.250 41.250 41.542 -0.292 17717 8268 1 9 . 1 1 45 45 LEU H H 45 8.970 8.970 7.564 1.406 17717 8269 1 9 . 1 1 46 46 LEU N N 46 116.900 116.900 119.005 -2.105 17717 8270 1 9 . 1 1 46 46 LEU HA H 46 4.351 4.351 4.253 0.098 17717 8271 1 9 . 1 1 46 46 LEU CA C 46 54.684 54.684 57.699 -3.015 17717 8272 1 9 . 1 1 46 46 LEU CB C 46 39.800 39.800 42.196 -2.396 17717 8273 1 9 . 1 1 46 46 LEU H H 46 8.450 8.450 7.132 1.318 17717 8274 1 9 . 1 1 47 47 GLU N N 47 122.741 122.741 118.906 3.835 17717 8275 1 9 . 1 1 47 47 GLU HA H 47 4.018 4.018 4.011 0.007 17717 8276 1 9 . 1 1 47 47 GLU CA C 47 58.280 58.280 59.402 -1.122 17717 8277 1 9 . 1 1 47 47 GLU CB C 47 28.800 28.800 29.088 -0.288 17717 8278 1 9 . 1 1 47 47 GLU H H 47 7.490 7.490 8.244 -0.754 17717 8279 1 9 . 1 1 48 48 ASN N N 48 117.200 117.200 118.451 -1.251 17717 8280 1 9 . 1 1 48 48 ASN HA H 48 4.300 4.300 4.606 -0.306 17717 8281 1 9 . 1 1 48 48 ASN CA C 48 53.550 53.550 56.226 -2.676 17717 8282 1 9 . 1 1 48 48 ASN CB C 48 38.490 38.490 38.693 -0.203 17717 8283 1 9 . 1 1 48 48 ASN H H 48 8.450 8.450 8.620 -0.170 17717 8284 1 9 . 1 1 49 49 TRP N N 49 119.320 119.320 120.293 -0.973 17717 8285 1 9 . 1 1 49 49 TRP HA H 49 4.300 4.300 4.567 -0.267 17717 8286 1 9 . 1 1 49 49 TRP CA C 49 56.200 56.200 58.700 -2.500 17717 8287 1 9 . 1 1 49 49 TRP CB C 49 27.800 27.800 30.068 -2.268 17717 8288 1 9 . 1 1 49 49 TRP H H 49 8.050 8.050 7.719 0.331 17717 8289 1 9 . 1 1 50 50 ASP N N 50 124.860 124.860 118.410 6.450 17717 8290 1 9 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.596 0.094 17717 8291 1 9 . 1 1 50 50 ASP CA C 50 54.180 54.180 57.127 -2.947 17717 8292 1 9 . 1 1 50 50 ASP CB C 50 40.318 40.318 41.895 -1.577 17717 8293 1 9 . 1 1 50 50 ASP H H 50 8.470 8.470 7.731 0.739 17717 8294 1 9 . 1 1 51 51 THR N N 51 114.240 114.240 110.806 3.434 17717 8295 1 9 . 1 1 51 51 THR HA H 51 4.250 4.250 4.381 -0.131 17717 8296 1 9 . 1 1 51 51 THR CA C 51 61.800 61.800 62.067 -0.267 17717 8297 1 9 . 1 1 51 51 THR CB C 51 69.000 69.000 70.749 -1.749 17717 8298 1 9 . 1 1 51 51 THR H H 51 7.920 7.920 8.481 -0.561 17717 8299 1 9 . 1 1 52 52 LEU N N 52 124.335 124.335 118.528 5.807 17717 8300 1 9 . 1 1 52 52 LEU HA H 52 4.261 4.261 4.809 -0.548 17717 8301 1 9 . 1 1 52 52 LEU CA C 52 54.800 54.800 53.541 1.259 17717 8302 1 9 . 1 1 52 52 LEU CB C 52 41.200 41.200 44.602 -3.402 17717 8303 1 9 . 1 1 52 52 LEU H H 52 8.000 8.000 7.557 0.443 17717 8304 1 9 . 1 1 53 53 GLY N N 53 109.991 109.991 110.020 -0.029 17717 8305 1 9 . 1 1 53 53 GLY CA C 53 44.700 44.700 46.863 -2.163 17717 8306 1 9 . 1 1 53 53 GLY H H 53 8.450 8.450 8.779 -0.329 17717 8307 1 9 . 1 1 54 54 SER N N 54 113.710 113.710 116.220 -2.510 17717 8308 1 9 . 1 1 54 54 SER HA H 54 4.480 4.480 4.286 0.194 17717 8309 1 9 . 1 1 54 54 SER CA C 54 57.300 57.300 59.632 -2.332 17717 8310 1 9 . 1 1 54 54 SER CB C 54 63.100 63.100 63.748 -0.648 17717 8311 1 9 . 1 1 54 54 SER H H 54 8.060 8.060 8.179 -0.119 17717 8312 1 9 . 1 1 55 55 THR N N 55 116.897 116.897 117.969 -1.072 17717 8313 1 9 . 1 1 55 55 THR HA H 55 4.044 4.044 4.619 -0.575 17717 8314 1 9 . 1 1 55 55 THR CA C 55 61.700 61.700 60.985 0.715 17717 8315 1 9 . 1 1 55 55 THR CB C 55 69.800 69.800 71.003 -1.203 17717 8316 1 9 . 1 1 55 55 THR H H 55 8.210 8.210 7.787 0.423 17717 8317 1 9 . 1 1 56 56 VAL N N 56 123.300 123.300 115.740 7.560 17717 8318 1 9 . 1 1 56 56 VAL HA H 56 3.793 3.793 4.415 -0.622 17717 8319 1 9 . 1 1 56 56 VAL CA C 56 66.384 66.384 62.301 4.083 17717 8320 1 9 . 1 1 56 56 VAL CB C 56 30.268 30.268 31.295 -1.027 17717 8321 1 9 . 1 1 56 56 VAL H H 56 8.280 8.280 8.132 0.148 17717 8322 1 9 . 1 1 57 57 SER N N 57 117.429 117.429 117.885 -0.456 17717 8323 1 9 . 1 1 57 57 SER HA H 57 4.136 4.136 4.483 -0.347 17717 8324 1 9 . 1 1 57 57 SER CA C 57 61.100 61.100 59.963 1.137 17717 8325 1 9 . 1 1 57 57 SER CB C 57 62.800 62.800 63.611 -0.811 17717 8326 1 9 . 1 1 57 57 SER H H 57 7.850 7.850 8.317 -0.467 17717 8327 1 9 . 1 1 58 58 GLN N N 58 128.580 128.580 117.193 11.387 17717 8328 1 9 . 1 1 58 58 GLN HA H 58 4.260 4.260 4.400 -0.140 17717 8329 1 9 . 1 1 58 58 GLN CA C 58 56.642 56.642 56.509 0.133 17717 8330 1 9 . 1 1 58 58 GLN CB C 58 29.023 29.023 28.789 0.234 17717 8331 1 9 . 1 1 58 58 GLN H H 58 7.990 7.990 8.039 -0.049 17717 8332 1 9 . 1 1 59 59 LEU N N 59 122.210 122.210 120.263 1.947 17717 8333 1 9 . 1 1 59 59 LEU HA H 59 4.310 4.310 3.894 0.416 17717 8334 1 9 . 1 1 59 59 LEU CA C 59 55.300 55.300 58.603 -3.303 17717 8335 1 9 . 1 1 59 59 LEU CB C 59 41.160 41.160 40.918 0.242 17717 8336 1 9 . 1 1 59 59 LEU H H 59 8.050 8.050 8.103 -0.053 17717 8337 1 9 . 1 1 60 60 GLN N N 60 120.085 120.085 118.831 1.254 17717 8338 1 9 . 1 1 60 60 GLN HA H 60 4.222 4.222 4.165 0.057 17717 8339 1 9 . 1 1 60 60 GLN CA C 60 55.960 55.960 59.102 -3.142 17717 8340 1 9 . 1 1 60 60 GLN CB C 60 27.900 27.900 27.996 -0.096 17717 8341 1 9 . 1 1 60 60 GLN H H 60 8.210 8.210 8.568 -0.358 17717 8342 1 9 . 1 1 61 61 GLU N N 61 120.920 120.920 118.444 2.476 17717 8343 1 9 . 1 1 61 61 GLU HA H 61 4.216 4.216 3.990 0.226 17717 8344 1 9 . 1 1 61 61 GLU CA C 61 56.900 56.900 59.391 -2.491 17717 8345 1 9 . 1 1 61 61 GLU CB C 61 28.500 28.500 29.280 -0.780 17717 8346 1 9 . 1 1 61 61 GLU H H 61 8.590 8.590 8.671 -0.081 17717 8347 1 9 . 1 1 62 62 ARG N N 62 118.833 118.833 118.005 0.828 17717 8348 1 9 . 1 1 62 62 ARG HA H 62 4.161 4.161 4.210 -0.049 17717 8349 1 9 . 1 1 62 62 ARG CA C 62 58.030 58.030 58.156 -0.126 17717 8350 1 9 . 1 1 62 62 ARG CB C 62 29.400 29.400 30.374 -0.974 17717 8351 1 9 . 1 1 62 62 ARG H H 62 7.680 7.680 8.279 -0.599 17717 8352 1 9 . 1 1 63 63 LEU N N 63 118.790 118.790 120.703 -1.913 17717 8353 1 9 . 1 1 63 63 LEU HA H 63 4.100 4.100 4.060 0.040 17717 8354 1 9 . 1 1 63 63 LEU CA C 63 56.360 56.360 57.485 -1.125 17717 8355 1 9 . 1 1 63 63 LEU CB C 63 41.130 41.130 41.352 -0.222 17717 8356 1 9 . 1 1 63 63 LEU H H 63 8.320 8.320 7.710 0.610 17717 8357 1 9 . 1 1 64 64 GLY N N 64 104.679 104.679 108.094 -3.415 17717 8358 1 9 . 1 1 64 64 GLY CA C 64 44.145 44.145 48.043 -3.898 17717 8359 1 9 . 1 1 64 64 GLY H H 64 7.220 7.220 8.330 -1.110 17717 8360 1 9 . 1 1 65 65 PRO CA C 65 62.817 62.817 64.819 -2.002 17717 8361 1 9 . 1 1 65 65 PRO CB C 65 31.290 31.290 31.414 -0.124 17717 8362 1 9 . 1 1 66 66 LEU N N 66 124.866 124.866 120.813 4.053 17717 8363 1 9 . 1 1 66 66 LEU HA H 66 4.609 4.609 4.216 0.393 17717 8364 1 9 . 1 1 66 66 LEU CA C 66 52.900 52.900 58.593 -5.693 17717 8365 1 9 . 1 1 66 66 LEU CB C 66 43.200 43.200 40.953 2.247 17717 8366 1 9 . 1 1 66 66 LEU H H 66 8.550 8.550 7.981 0.569 17717 8367 1 9 . 1 1 67 67 THR N N 67 112.116 112.116 112.996 -0.880 17717 8368 1 9 . 1 1 67 67 THR HA H 67 4.824 4.824 4.435 0.389 17717 8369 1 9 . 1 1 67 67 THR CA C 67 59.240 59.240 66.045 -6.805 17717 8370 1 9 . 1 1 67 67 THR CB C 67 71.550 71.550 69.002 2.548 17717 8371 1 9 . 1 1 67 67 THR H H 67 7.650 7.650 7.892 -0.242 17717 8372 1 9 . 1 1 68 68 ARG N N 68 120.085 120.085 120.030 0.055 17717 8373 1 9 . 1 1 68 68 ARG HA H 68 4.230 4.230 3.987 0.243 17717 8374 1 9 . 1 1 68 68 ARG CA C 68 58.600 58.600 59.264 -0.664 17717 8375 1 9 . 1 1 68 68 ARG CB C 68 28.900 28.900 30.063 -1.163 17717 8376 1 9 . 1 1 68 68 ARG H H 68 8.950 8.950 7.548 1.402 17717 8377 1 9 . 1 1 69 69 ASP N N 69 116.366 116.366 120.175 -3.809 17717 8378 1 9 . 1 1 69 69 ASP HA H 69 4.249 4.249 4.332 -0.083 17717 8379 1 9 . 1 1 69 69 ASP CA C 69 56.100 56.100 58.783 -2.683 17717 8380 1 9 . 1 1 69 69 ASP CB C 69 39.550 39.550 40.813 -1.263 17717 8381 1 9 . 1 1 69 69 ASP H H 69 8.100 8.100 7.805 0.295 17717 8382 1 9 . 1 1 70 70 PHE N N 70 119.553 119.553 118.713 0.840 17717 8383 1 9 . 1 1 70 70 PHE HA H 70 4.090 4.090 3.842 0.248 17717 8384 1 9 . 1 1 70 70 PHE CA C 70 60.700 60.700 59.413 1.287 17717 8385 1 9 . 1 1 70 70 PHE CB C 70 38.100 38.100 37.628 0.472 17717 8386 1 9 . 1 1 70 70 PHE H H 70 7.420 7.420 7.244 0.176 17717 8387 1 9 . 1 1 71 71 TRP N N 71 120.085 120.085 122.196 -2.111 17717 8388 1 9 . 1 1 71 71 TRP HA H 71 4.044 4.044 3.281 0.763 17717 8389 1 9 . 1 1 71 71 TRP CA C 71 58.100 58.100 61.418 -3.318 17717 8390 1 9 . 1 1 71 71 TRP CB C 71 28.100 28.100 28.772 -0.672 17717 8391 1 9 . 1 1 71 71 TRP H H 71 6.950 6.950 7.039 -0.089 17717 8392 1 9 . 1 1 72 72 ASP N N 72 121.450 121.450 117.866 3.584 17717 8393 1 9 . 1 1 72 72 ASP HA H 72 4.310 4.310 3.393 0.917 17717 8394 1 9 . 1 1 72 72 ASP CA C 72 55.350 55.350 56.459 -1.109 17717 8395 1 9 . 1 1 72 72 ASP CB C 72 40.000 40.000 40.299 -0.299 17717 8396 1 9 . 1 1 72 72 ASP H H 72 8.350 8.350 7.800 0.550 17717 8397 1 9 . 1 1 73 73 ASN N N 73 117.200 117.200 118.505 -1.305 17717 8398 1 9 . 1 1 73 73 ASN HA H 73 4.220 4.220 4.370 -0.150 17717 8399 1 9 . 1 1 73 73 ASN CA C 73 54.500 54.500 56.462 -1.962 17717 8400 1 9 . 1 1 73 73 ASN CB C 73 40.000 40.000 38.839 1.161 17717 8401 1 9 . 1 1 73 73 ASN H H 73 7.700 7.700 7.766 -0.066 17717 8402 1 9 . 1 1 74 74 LEU N N 74 123.600 123.600 119.951 3.649 17717 8403 1 9 . 1 1 74 74 LEU HA H 74 4.350 4.350 4.424 -0.074 17717 8404 1 9 . 1 1 74 74 LEU CA C 74 54.700 54.700 57.669 -2.969 17717 8405 1 9 . 1 1 74 74 LEU CB C 74 41.400 41.400 42.230 -0.830 17717 8406 1 9 . 1 1 74 74 LEU H H 74 8.330 8.330 8.392 -0.062 17717 8407 1 9 . 1 1 75 75 GLU N N 75 121.400 121.400 120.699 0.701 17717 8408 1 9 . 1 1 75 75 GLU HA H 75 4.000 4.000 3.785 0.215 17717 8409 1 9 . 1 1 75 75 GLU CA C 75 58.200 58.200 59.115 -0.916 17717 8410 1 9 . 1 1 75 75 GLU CB C 75 28.400 28.400 28.723 -0.323 17717 8411 1 9 . 1 1 75 75 GLU H H 75 8.600 8.600 8.353 0.247 17717 8412 1 9 . 1 1 76 76 LYS N N 76 118.000 118.000 118.773 -0.773 17717 8413 1 9 . 1 1 76 76 LYS HA H 76 4.117 4.117 4.098 0.019 17717 8414 1 9 . 1 1 76 76 LYS CA C 76 58.400 58.400 59.031 -0.631 17717 8415 1 9 . 1 1 76 76 LYS CB C 76 32.480 32.480 32.464 0.016 17717 8416 1 9 . 1 1 76 76 LYS H H 76 7.690 7.690 7.363 0.327 17717 8417 1 9 . 1 1 77 77 GLU N N 77 115.835 115.835 119.050 -3.215 17717 8418 1 9 . 1 1 77 77 GLU HA H 77 4.310 4.310 3.987 0.323 17717 8419 1 9 . 1 1 77 77 GLU CA C 77 54.785 54.785 60.161 -5.376 17717 8420 1 9 . 1 1 77 77 GLU CB C 77 28.355 28.355 29.433 -1.078 17717 8421 1 9 . 1 1 77 77 GLU H H 77 8.290 8.290 7.779 0.511 17717 8422 1 9 . 1 1 78 78 THR N N 78 120.300 120.300 112.473 7.827 17717 8423 1 9 . 1 1 78 78 THR HA H 78 4.410 4.410 3.909 0.501 17717 8424 1 9 . 1 1 78 78 THR CA C 78 68.100 68.100 66.469 1.631 17717 8425 1 9 . 1 1 78 78 THR CB C 78 69.451 69.451 68.673 0.778 17717 8426 1 9 . 1 1 78 78 THR H H 78 7.490 7.490 8.269 -0.779 17717 8427 1 9 . 1 1 79 79 ASP N N 79 120.085 120.085 121.896 -1.811 17717 8428 1 9 . 1 1 79 79 ASP HA H 79 4.480 4.480 4.360 0.120 17717 8429 1 9 . 1 1 79 79 ASP CA C 79 57.426 57.426 57.271 0.155 17717 8430 1 9 . 1 1 79 79 ASP CB C 79 39.240 39.240 40.769 -1.529 17717 8431 1 9 . 1 1 79 79 ASP H H 79 8.880 8.880 7.753 1.127 17717 8432 1 9 . 1 1 80 80 TRP N N 80 123.803 123.803 121.898 1.905 17717 8433 1 9 . 1 1 80 80 TRP HA H 80 4.280 4.280 4.357 -0.077 17717 8434 1 9 . 1 1 80 80 TRP CA C 80 60.660 60.660 61.682 -1.022 17717 8435 1 9 . 1 1 80 80 TRP CB C 80 27.000 27.000 30.412 -3.412 17717 8436 1 9 . 1 1 80 80 TRP H H 80 7.760 7.760 7.946 -0.186 17717 8437 1 9 . 1 1 81 81 VAL N N 81 118.790 118.790 117.396 1.394 17717 8438 1 9 . 1 1 81 81 VAL HA H 81 4.280 4.280 3.877 0.403 17717 8439 1 9 . 1 1 81 81 VAL CA C 81 61.200 61.200 66.336 -5.136 17717 8440 1 9 . 1 1 81 81 VAL CB C 81 29.900 29.900 31.736 -1.836 17717 8441 1 9 . 1 1 81 81 VAL H H 81 8.160 8.160 8.959 -0.799 17717 8442 1 9 . 1 1 82 82 ARG N N 82 119.190 119.190 119.998 -0.808 17717 8443 1 9 . 1 1 82 82 ARG HA H 82 4.480 4.480 3.956 0.524 17717 8444 1 9 . 1 1 82 82 ARG CA C 82 58.400 58.400 59.493 -1.093 17717 8445 1 9 . 1 1 82 82 ARG CB C 82 29.800 29.800 30.112 -0.312 17717 8446 1 9 . 1 1 82 82 ARG H H 82 7.100 7.100 8.422 -1.322 17717 8447 1 9 . 1 1 83 83 GLN N N 83 117.960 117.960 118.229 -0.269 17717 8448 1 9 . 1 1 83 83 GLN HA H 83 4.222 4.222 3.956 0.266 17717 8449 1 9 . 1 1 83 83 GLN CA C 83 55.600 55.600 58.474 -2.874 17717 8450 1 9 . 1 1 83 83 GLN CB C 83 28.550 28.550 28.207 0.342 17717 8451 1 9 . 1 1 83 83 GLN H H 83 8.050 8.050 7.726 0.324 17717 8452 1 9 . 1 1 84 84 GLU N N 84 119.022 119.022 118.348 0.674 17717 8453 1 9 . 1 1 84 84 GLU HA H 84 4.100 4.100 3.936 0.164 17717 8454 1 9 . 1 1 84 84 GLU CA C 84 57.300 57.300 58.266 -0.966 17717 8455 1 9 . 1 1 84 84 GLU CB C 84 28.600 28.600 29.131 -0.531 17717 8456 1 9 . 1 1 84 84 GLU H H 84 7.920 7.920 8.389 -0.469 17717 8457 1 9 . 1 1 85 85 MET N N 85 117.565 117.565 120.624 -3.059 17717 8458 1 9 . 1 1 85 85 MET HA H 85 4.265 4.265 3.975 0.290 17717 8459 1 9 . 1 1 85 85 MET CA C 85 55.020 55.020 59.326 -4.306 17717 8460 1 9 . 1 1 85 85 MET CB C 85 33.000 33.000 32.197 0.803 17717 8461 1 9 . 1 1 85 85 MET H H 85 8.230 8.230 7.921 0.309 17717 8462 1 9 . 1 1 86 86 ASN N N 86 119.022 119.022 116.392 2.630 17717 8463 1 9 . 1 1 86 86 ASN HA H 86 4.570 4.570 4.495 0.075 17717 8464 1 9 . 1 1 86 86 ASN CA C 86 56.000 56.000 56.136 -0.137 17717 8465 1 9 . 1 1 86 86 ASN CB C 86 37.700 37.700 38.388 -0.688 17717 8466 1 9 . 1 1 86 86 ASN H H 86 8.600 8.600 7.772 0.828 17717 8467 1 9 . 1 1 87 87 LYS N N 87 120.273 120.273 120.356 -0.083 17717 8468 1 9 . 1 1 87 87 LYS HA H 87 4.100 4.100 3.875 0.225 17717 8469 1 9 . 1 1 87 87 LYS CA C 87 59.000 59.000 59.770 -0.770 17717 8470 1 9 . 1 1 87 87 LYS CB C 87 30.900 30.900 32.196 -1.296 17717 8471 1 9 . 1 1 87 87 LYS H H 87 7.220 7.220 7.603 -0.383 17717 8472 1 9 . 1 1 88 88 ASP N N 88 121.147 121.147 118.971 2.176 17717 8473 1 9 . 1 1 88 88 ASP HA H 88 4.480 4.480 4.417 0.063 17717 8474 1 9 . 1 1 88 88 ASP CA C 88 56.840 56.840 57.115 -0.275 17717 8475 1 9 . 1 1 88 88 ASP CB C 88 39.450 39.450 40.572 -1.122 17717 8476 1 9 . 1 1 88 88 ASP H H 88 7.390 7.390 8.037 -0.647 17717 8477 1 9 . 1 1 89 89 LEU N N 89 122.741 122.741 119.434 3.307 17717 8478 1 9 . 1 1 89 89 LEU HA H 89 4.470 4.470 3.942 0.528 17717 8479 1 9 . 1 1 89 89 LEU CA C 89 57.000 57.000 58.807 -1.807 17717 8480 1 9 . 1 1 89 89 LEU CB C 89 41.000 41.000 42.204 -1.204 17717 8481 1 9 . 1 1 89 89 LEU H H 89 8.910 8.910 7.489 1.421 17717 8482 1 9 . 1 1 90 90 GLU N N 90 119.553 119.553 117.644 1.909 17717 8483 1 9 . 1 1 90 90 GLU HA H 90 4.050 4.050 4.123 -0.073 17717 8484 1 9 . 1 1 90 90 GLU CA C 90 59.100 59.100 58.482 0.618 17717 8485 1 9 . 1 1 90 90 GLU CB C 90 28.556 28.556 29.601 -1.045 17717 8486 1 9 . 1 1 90 90 GLU H H 90 8.260 8.260 7.839 0.421 17717 8487 1 9 . 1 1 91 91 GLU N N 91 119.190 119.190 120.126 -0.936 17717 8488 1 9 . 1 1 91 91 GLU HA H 91 4.136 4.136 4.129 0.007 17717 8489 1 9 . 1 1 91 91 GLU CA C 91 58.600 58.600 59.232 -0.632 17717 8490 1 9 . 1 1 91 91 GLU CB C 91 28.600 28.600 29.982 -1.382 17717 8491 1 9 . 1 1 91 91 GLU H H 91 7.470 7.470 8.097 -0.627 17717 8492 1 9 . 1 1 92 92 VAL N N 92 122.230 122.230 115.872 6.358 17717 8493 1 9 . 1 1 92 92 VAL HA H 92 3.837 3.837 3.918 -0.081 17717 8494 1 9 . 1 1 92 92 VAL CA C 92 65.900 65.900 66.345 -0.445 17717 8495 1 9 . 1 1 92 92 VAL CB C 92 29.200 29.200 32.036 -2.836 17717 8496 1 9 . 1 1 92 92 VAL H H 92 8.420 8.420 8.237 0.183 17717 8497 1 9 . 1 1 93 93 LYS N N 93 121.300 121.300 118.174 3.126 17717 8498 1 9 . 1 1 93 93 LYS HA H 93 3.836 3.836 4.177 -0.341 17717 8499 1 9 . 1 1 93 93 LYS CA C 93 59.900 59.900 58.717 1.183 17717 8500 1 9 . 1 1 93 93 LYS CB C 93 31.277 31.277 31.878 -0.601 17717 8501 1 9 . 1 1 93 93 LYS H H 93 9.000 9.000 7.548 1.452 17717 8502 1 9 . 1 1 94 94 GLN N N 94 116.900 116.900 117.191 -0.291 17717 8503 1 9 . 1 1 94 94 GLN HA H 94 4.094 4.094 4.307 -0.213 17717 8504 1 9 . 1 1 94 94 GLN CA C 94 57.731 57.731 57.918 -0.187 17717 8505 1 9 . 1 1 94 94 GLN CB C 94 27.700 27.700 28.347 -0.647 17717 8506 1 9 . 1 1 94 94 GLN H H 94 7.320 7.320 7.739 -0.419 17717 8507 1 9 . 1 1 95 95 LYS N N 95 119.190 119.190 119.418 -0.228 17717 8508 1 9 . 1 1 95 95 LYS HA H 95 4.137 4.137 4.235 -0.098 17717 8509 1 9 . 1 1 95 95 LYS CA C 95 57.700 57.700 58.097 -0.397 17717 8510 1 9 . 1 1 95 95 LYS CB C 95 31.800 31.800 33.265 -1.465 17717 8511 1 9 . 1 1 95 95 LYS H H 95 7.590 7.590 7.661 -0.071 17717 8512 1 9 . 1 1 96 96 VAL N N 96 111.000 111.000 117.180 -6.180 17717 8513 1 9 . 1 1 96 96 VAL HA H 96 4.138 4.138 3.509 0.629 17717 8514 1 9 . 1 1 96 96 VAL CA C 96 61.600 61.600 65.646 -4.046 17717 8515 1 9 . 1 1 96 96 VAL CB C 96 31.500 31.500 31.235 0.265 17717 8516 1 9 . 1 1 96 96 VAL H H 96 7.960 7.960 7.810 0.150 17717 8517 1 9 . 1 1 97 97 GLN N N 97 122.210 122.210 119.480 2.730 17717 8518 1 9 . 1 1 97 97 GLN HA H 97 4.030 4.030 3.972 0.058 17717 8519 1 9 . 1 1 97 97 GLN CA C 97 59.226 59.226 57.915 1.311 17717 8520 1 9 . 1 1 97 97 GLN CB C 97 24.578 24.578 26.178 -1.600 17717 8521 1 9 . 1 1 97 97 GLN H H 97 7.380 7.380 8.333 -0.953 17717 8522 1 9 . 1 1 98 98 PRO CA C 98 65.400 65.400 63.209 2.191 17717 8523 1 9 . 1 1 98 98 PRO CB C 98 30.336 30.336 32.229 -1.893 17717 8524 1 9 . 1 1 99 99 TYR N N 99 116.900 116.900 116.287 0.613 17717 8525 1 9 . 1 1 99 99 TYR HA H 99 4.480 4.480 4.185 0.295 17717 8526 1 9 . 1 1 99 99 TYR CA C 99 58.446 58.446 58.514 -0.068 17717 8527 1 9 . 1 1 99 99 TYR CB C 99 36.344 36.344 35.871 0.473 17717 8528 1 9 . 1 1 99 99 TYR H H 99 7.100 7.100 8.107 -1.007 17717 8529 1 9 . 1 1 100 100 LEU N N 100 123.270 123.270 124.865 -1.595 17717 8530 1 9 . 1 1 100 100 LEU HA H 100 3.964 3.964 4.608 -0.644 17717 8531 1 9 . 1 1 100 100 LEU CA C 100 57.300 57.300 55.491 1.809 17717 8532 1 9 . 1 1 100 100 LEU CB C 100 40.950 40.950 42.725 -1.776 17717 8533 1 9 . 1 1 100 100 LEU H H 100 7.500 7.500 8.425 -0.925 17717 8534 1 9 . 1 1 101 101 ASP N N 101 119.500 119.500 118.274 1.226 17717 8535 1 9 . 1 1 101 101 ASP HA H 101 3.810 3.810 4.575 -0.765 17717 8536 1 9 . 1 1 101 101 ASP CA C 101 58.200 58.200 54.179 4.021 17717 8537 1 9 . 1 1 101 101 ASP CB C 101 39.100 39.100 39.180 -0.080 17717 8538 1 9 . 1 1 101 101 ASP H H 101 8.450 8.450 8.082 0.368 17717 8539 1 9 . 1 1 102 102 GLU N N 102 121.221 121.221 120.972 0.249 17717 8540 1 9 . 1 1 102 102 GLU HA H 102 4.222 4.222 3.930 0.291 17717 8541 1 9 . 1 1 102 102 GLU CA C 102 59.200 59.200 58.856 0.344 17717 8542 1 9 . 1 1 102 102 GLU CB C 102 31.100 31.100 28.717 2.383 17717 8543 1 9 . 1 1 102 102 GLU H H 102 8.190 8.190 8.384 -0.194 17717 8544 1 9 . 1 1 103 103 PHE N N 103 124.065 124.065 120.150 3.915 17717 8545 1 9 . 1 1 103 103 PHE HA H 103 4.520 4.520 4.243 0.277 17717 8546 1 9 . 1 1 103 103 PHE CA C 103 57.183 57.183 60.581 -3.398 17717 8547 1 9 . 1 1 103 103 PHE CB C 103 38.608 38.608 37.815 0.793 17717 8548 1 9 . 1 1 103 103 PHE H H 103 8.170 8.170 7.310 0.860 17717 8549 1 9 . 1 1 104 104 GLN N N 104 123.272 123.272 116.916 6.356 17717 8550 1 9 . 1 1 104 104 GLN HA H 104 4.222 4.222 4.111 0.111 17717 8551 1 9 . 1 1 104 104 GLN CA C 104 55.460 55.460 58.005 -2.545 17717 8552 1 9 . 1 1 104 104 GLN CB C 104 29.200 29.200 28.239 0.961 17717 8553 1 9 . 1 1 104 104 GLN H H 104 8.030 8.030 8.585 -0.555 17717 8554 1 9 . 1 1 105 105 LYS N N 105 119.600 119.600 121.413 -1.813 17717 8555 1 9 . 1 1 105 105 LYS HA H 105 4.136 4.136 3.998 0.138 17717 8556 1 9 . 1 1 105 105 LYS CA C 105 57.830 57.830 59.837 -2.006 17717 8557 1 9 . 1 1 105 105 LYS CB C 105 32.220 32.220 32.411 -0.191 17717 8558 1 9 . 1 1 105 105 LYS H H 105 7.800 7.800 8.320 -0.520 17717 8559 1 9 . 1 1 106 106 LYS N N 106 117.960 117.960 120.334 -2.374 17717 8560 1 9 . 1 1 106 106 LYS HA H 106 4.093 4.093 4.073 0.020 17717 8561 1 9 . 1 1 106 106 LYS CA C 106 57.860 57.860 59.212 -1.352 17717 8562 1 9 . 1 1 106 106 LYS CB C 106 32.080 32.080 31.909 0.171 17717 8563 1 9 . 1 1 106 106 LYS H H 106 7.740 7.740 7.949 -0.209 17717 8564 1 9 . 1 1 107 107 TRP N N 107 119.320 119.320 119.362 -0.042 17717 8565 1 9 . 1 1 107 107 TRP HA H 107 4.310 4.310 4.299 0.011 17717 8566 1 9 . 1 1 107 107 TRP CA C 107 54.900 54.900 59.551 -4.651 17717 8567 1 9 . 1 1 107 107 TRP CB C 107 28.400 28.400 29.580 -1.180 17717 8568 1 9 . 1 1 107 107 TRP H H 107 8.390 8.390 7.651 0.739 17717 8569 1 9 . 1 1 108 108 LYS N N 108 120.390 120.390 119.188 1.202 17717 8570 1 9 . 1 1 108 108 LYS HA H 108 4.350 4.350 3.728 0.622 17717 8571 1 9 . 1 1 108 108 LYS CA C 108 58.170 58.170 58.002 0.168 17717 8572 1 9 . 1 1 108 108 LYS CB C 108 30.250 30.250 32.024 -1.774 17717 8573 1 9 . 1 1 108 108 LYS H H 108 7.420 7.420 7.745 -0.325 17717 8574 1 9 . 1 1 109 109 GLU N N 109 120.220 120.220 120.934 -0.714 17717 8575 1 9 . 1 1 109 109 GLU HA H 109 3.922 3.922 3.987 -0.065 17717 8576 1 9 . 1 1 109 109 GLU CA C 109 58.230 58.230 59.499 -1.269 17717 8577 1 9 . 1 1 109 109 GLU CB C 109 29.230 29.230 29.865 -0.635 17717 8578 1 9 . 1 1 109 109 GLU H H 109 7.800 7.800 7.682 0.118 17717 8579 1 9 . 1 1 110 110 ASP N N 110 121.678 121.678 119.704 1.974 17717 8580 1 9 . 1 1 110 110 ASP HA H 110 4.096 4.096 4.221 -0.125 17717 8581 1 9 . 1 1 110 110 ASP CA C 110 57.514 57.514 57.313 0.201 17717 8582 1 9 . 1 1 110 110 ASP CB C 110 40.005 40.005 40.602 -0.597 17717 8583 1 9 . 1 1 110 110 ASP H H 110 8.220 8.220 8.317 -0.097 17717 8584 1 9 . 1 1 111 111 VAL N N 111 123.537 123.537 117.072 6.465 17717 8585 1 9 . 1 1 111 111 VAL CA C 111 66.380 66.380 66.328 0.052 17717 8586 1 9 . 1 1 111 111 VAL CB C 111 30.800 30.800 30.827 -0.027 17717 8587 1 9 . 1 1 111 111 VAL H H 111 9.170 9.170 7.208 1.962 17717 8588 1 9 . 1 1 112 112 GLU N N 112 120.200 120.200 120.664 -0.464 17717 8589 1 9 . 1 1 112 112 GLU HA H 112 4.179 4.179 3.962 0.217 17717 8590 1 9 . 1 1 112 112 GLU CA C 112 58.431 58.431 59.438 -1.007 17717 8591 1 9 . 1 1 112 112 GLU CB C 112 27.878 27.878 29.479 -1.601 17717 8592 1 9 . 1 1 112 112 GLU H H 112 7.540 7.540 7.489 0.051 17717 8593 1 9 . 1 1 113 113 LEU N N 113 120.815 120.815 118.350 2.465 17717 8594 1 9 . 1 1 113 113 LEU HA H 113 4.439 4.439 3.792 0.647 17717 8595 1 9 . 1 1 113 113 LEU CA C 113 53.800 53.800 57.641 -3.841 17717 8596 1 9 . 1 1 113 113 LEU CB C 113 41.060 41.060 40.675 0.385 17717 8597 1 9 . 1 1 113 113 LEU H H 113 7.900 7.900 7.247 0.653 17717 8598 1 9 . 1 1 114 114 TYR N N 114 120.920 120.920 120.212 0.708 17717 8599 1 9 . 1 1 114 114 TYR HA H 114 4.520 4.520 3.993 0.527 17717 8600 1 9 . 1 1 114 114 TYR CA C 114 56.942 56.942 61.611 -4.668 17717 8601 1 9 . 1 1 114 114 TYR CB C 114 37.834 37.834 38.532 -0.698 17717 8602 1 9 . 1 1 114 114 TYR H H 114 8.370 8.370 8.270 0.100 17717 8603 1 9 . 1 1 115 115 ARG N N 115 118.260 118.260 117.409 0.851 17717 8604 1 9 . 1 1 115 115 ARG HA H 115 4.820 4.820 3.632 1.188 17717 8605 1 9 . 1 1 115 115 ARG CA C 115 55.700 55.700 59.510 -3.810 17717 8606 1 9 . 1 1 115 115 ARG CB C 115 30.600 30.600 29.530 1.069 17717 8607 1 9 . 1 1 115 115 ARG H H 115 7.630 7.630 7.886 -0.256 17717 8608 1 9 . 1 1 116 116 GLN N N 116 116.670 116.670 117.347 -0.677 17717 8609 1 9 . 1 1 116 116 GLN HA H 116 4.480 4.480 4.036 0.444 17717 8610 1 9 . 1 1 116 116 GLN CA C 116 57.100 57.100 58.077 -0.977 17717 8611 1 9 . 1 1 116 116 GLN CB C 116 28.060 28.060 28.186 -0.126 17717 8612 1 9 . 1 1 116 116 GLN H H 116 7.980 7.980 7.265 0.715 17717 8613 1 9 . 1 1 117 117 LYS N N 117 119.200 119.200 120.029 -0.829 17717 8614 1 9 . 1 1 117 117 LYS HA H 117 4.211 4.211 3.883 0.328 17717 8615 1 9 . 1 1 117 117 LYS CA C 117 56.700 56.700 58.404 -1.704 17717 8616 1 9 . 1 1 117 117 LYS CB C 117 32.100 32.100 31.541 0.559 17717 8617 1 9 . 1 1 117 117 LYS H H 117 7.780 7.780 7.442 0.338 17717 8618 1 9 . 1 1 118 118 ALA N N 118 122.740 122.740 119.408 3.332 17717 8619 1 9 . 1 1 118 118 ALA HA H 118 4.179 4.179 3.831 0.348 17717 8620 1 9 . 1 1 118 118 ALA CA C 118 52.100 52.100 53.403 -1.303 17717 8621 1 9 . 1 1 118 118 ALA CB C 118 18.100 18.100 18.412 -0.312 17717 8622 1 9 . 1 1 118 118 ALA H H 118 8.100 8.100 7.994 0.106 17717 8623 1 9 . 1 1 119 119 SER N N 119 115.840 115.840 113.652 2.188 17717 8624 1 9 . 1 1 119 119 SER HA H 119 4.210 4.210 4.796 -0.586 17717 8625 1 9 . 1 1 119 119 SER CA C 119 55.900 55.900 54.336 1.564 17717 8626 1 9 . 1 1 119 119 SER CB C 119 62.900 62.900 63.481 -0.581 17717 8627 1 9 . 1 1 119 119 SER H H 119 7.800 7.800 7.319 0.481 17717 8628 1 9 . 1 1 120 120 PRO CA C 120 63.074 63.074 63.035 0.039 17717 8629 1 9 . 1 1 120 120 PRO CB C 120 31.408 31.408 31.612 -0.204 17717 8630 1 9 . 1 1 121 121 GLN N N 121 120.800 120.800 126.532 -5.732 17717 8631 1 9 . 1 1 121 121 GLN HA H 121 4.350 4.350 4.034 0.316 17717 8632 1 9 . 1 1 121 121 GLN CA C 121 55.800 55.800 58.887 -3.087 17717 8633 1 9 . 1 1 121 121 GLN CB C 121 28.300 28.300 27.698 0.602 17717 8634 1 9 . 1 1 121 121 GLN H H 121 8.450 8.450 8.331 0.119 17717 8635 1 9 . 1 1 122 122 GLY N N 122 109.991 109.991 107.341 2.650 17717 8636 1 9 . 1 1 122 122 GLY CA C 122 44.500 44.500 46.482 -1.982 17717 8637 1 9 . 1 1 122 122 GLY H H 122 8.380 8.380 8.834 -0.454 17717 8638 1 9 . 1 1 123 123 ALA N N 123 124.866 124.866 124.970 -0.104 17717 8639 1 9 . 1 1 123 123 ALA HA H 123 4.280 4.280 4.129 0.151 17717 8640 1 9 . 1 1 123 123 ALA CA C 123 52.440 52.440 55.031 -2.591 17717 8641 1 9 . 1 1 123 123 ALA CB C 123 18.530 18.530 18.626 -0.096 17717 8642 1 9 . 1 1 123 123 ALA H H 123 8.200 8.200 8.148 0.052 17717 8643 1 9 . 1 1 124 124 GLU N N 124 120.000 120.000 118.012 1.988 17717 8644 1 9 . 1 1 124 124 GLU HA H 124 4.265 4.265 4.137 0.128 17717 8645 1 9 . 1 1 124 124 GLU CA C 124 56.533 56.533 58.297 -1.764 17717 8646 1 9 . 1 1 124 124 GLU CB C 124 29.150 29.150 29.289 -0.139 17717 8647 1 9 . 1 1 124 124 GLU H H 124 8.510 8.510 7.829 0.681 17717 8648 1 9 . 1 1 125 125 LEU N N 125 122.740 122.740 123.067 -0.327 17717 8649 1 9 . 1 1 125 125 LEU HA H 125 4.222 4.222 4.016 0.206 17717 8650 1 9 . 1 1 125 125 LEU CA C 125 55.600 55.600 58.263 -2.663 17717 8651 1 9 . 1 1 125 125 LEU CB C 125 41.500 41.500 41.808 -0.308 17717 8652 1 9 . 1 1 125 125 LEU H H 125 8.110 8.110 8.676 -0.566 17717 8653 1 9 . 1 1 126 126 GLN N N 126 120.616 120.616 116.389 4.227 17717 8654 1 9 . 1 1 126 126 GLN HA H 126 4.140 4.140 4.028 0.112 17717 8655 1 9 . 1 1 126 126 GLN CA C 126 56.600 56.600 58.661 -2.062 17717 8656 1 9 . 1 1 126 126 GLN CB C 126 28.200 28.200 28.256 -0.056 17717 8657 1 9 . 1 1 126 126 GLN H H 126 8.190 8.190 8.300 -0.110 17717 8658 1 9 . 1 1 127 127 GLU N N 127 121.221 121.221 120.940 0.281 17717 8659 1 9 . 1 1 127 127 GLU HA H 127 4.480 4.480 4.028 0.452 17717 8660 1 9 . 1 1 127 127 GLU CA C 127 57.800 57.800 59.609 -1.809 17717 8661 1 9 . 1 1 127 127 GLU CB C 127 28.000 28.000 29.551 -1.551 17717 8662 1 9 . 1 1 127 127 GLU H H 127 8.130 8.130 7.759 0.371 17717 8663 1 9 . 1 1 128 128 SER N N 128 117.960 117.960 115.655 2.305 17717 8664 1 9 . 1 1 128 128 SER HA H 128 4.140 4.140 4.286 -0.146 17717 8665 1 9 . 1 1 128 128 SER CA C 128 57.800 57.800 60.909 -3.109 17717 8666 1 9 . 1 1 128 128 SER CB C 128 63.860 63.860 62.745 1.115 17717 8667 1 9 . 1 1 128 128 SER H H 128 8.580 8.580 8.497 0.083 17717 8668 1 9 . 1 1 129 129 ALA N N 129 132.300 132.300 123.889 8.411 17717 8669 1 9 . 1 1 129 129 ALA CA C 129 53.505 53.505 54.324 -0.819 17717 8670 1 9 . 1 1 129 129 ALA CB C 129 18.600 18.600 19.118 -0.518 17717 8671 1 9 . 1 1 129 129 ALA H H 129 7.980 7.980 7.827 0.153 17717 8672 1 9 . 1 1 130 130 ARG N N 130 119.553 119.553 117.137 2.416 17717 8673 1 9 . 1 1 130 130 ARG HA H 130 4.274 4.274 4.396 -0.122 17717 8674 1 9 . 1 1 130 130 ARG CA C 130 55.300 55.300 56.523 -1.223 17717 8675 1 9 . 1 1 130 130 ARG CB C 130 31.600 31.600 30.211 1.389 17717 8676 1 9 . 1 1 130 130 ARG H H 130 8.150 8.150 7.723 0.427 17717 8677 1 9 . 1 1 131 131 GLN N N 131 117.960 117.960 120.343 -2.383 17717 8678 1 9 . 1 1 131 131 GLN HA H 131 4.350 4.350 4.354 -0.004 17717 8679 1 9 . 1 1 131 131 GLN CA C 131 56.066 56.066 56.088 -0.022 17717 8680 1 9 . 1 1 131 131 GLN CB C 131 29.000 29.000 30.882 -1.882 17717 8681 1 9 . 1 1 131 131 GLN H H 131 7.880 7.880 8.362 -0.482 17717 8682 1 9 . 1 1 132 132 LYS N N 132 121.357 121.357 119.240 2.117 17717 8683 1 9 . 1 1 132 132 LYS HA H 132 4.136 4.136 3.971 0.165 17717 8684 1 9 . 1 1 132 132 LYS CA C 132 56.800 56.800 57.654 -0.854 17717 8685 1 9 . 1 1 132 132 LYS CB C 132 31.100 31.100 30.172 0.928 17717 8686 1 9 . 1 1 132 132 LYS H H 132 7.892 7.892 8.241 -0.349 17717 8687 1 9 . 1 1 133 133 LEU N N 133 120.620 120.620 112.647 7.973 17717 8688 1 9 . 1 1 133 133 LEU HA H 133 4.480 4.480 4.621 -0.141 17717 8689 1 9 . 1 1 133 133 LEU CA C 133 53.900 53.900 52.698 1.202 17717 8690 1 9 . 1 1 133 133 LEU CB C 133 41.230 41.230 43.491 -2.261 17717 8691 1 9 . 1 1 133 133 LEU H H 133 8.320 8.320 7.197 1.123 17717 8692 1 9 . 1 1 134 134 GLN N N 134 121.147 121.147 119.649 1.498 17717 8693 1 9 . 1 1 134 134 GLN HA H 134 4.222 4.222 4.096 0.126 17717 8694 1 9 . 1 1 134 134 GLN CA C 134 56.146 56.146 58.488 -2.342 17717 8695 1 9 . 1 1 134 134 GLN CB C 134 31.813 31.813 29.330 2.483 17717 8696 1 9 . 1 1 134 134 GLN H H 134 7.870 7.870 8.679 -0.809 17717 8697 1 9 . 1 1 135 135 GLU N N 135 121.678 121.678 116.348 5.330 17717 8698 1 9 . 1 1 135 135 GLU HA H 135 4.136 4.136 4.460 -0.324 17717 8699 1 9 . 1 1 135 135 GLU CA C 135 55.904 55.904 56.670 -0.766 17717 8700 1 9 . 1 1 135 135 GLU CB C 135 28.953 28.953 30.387 -1.433 17717 8701 1 9 . 1 1 135 135 GLU H H 135 7.892 7.892 8.008 -0.116 17717 8702 1 9 . 1 1 136 136 LEU N N 136 121.357 121.357 118.419 2.938 17717 8703 1 9 . 1 1 136 136 LEU HA H 136 4.351 4.351 3.864 0.487 17717 8704 1 9 . 1 1 136 136 LEU CA C 136 54.765 54.765 56.559 -1.794 17717 8705 1 9 . 1 1 136 136 LEU CB C 136 41.823 41.823 41.731 0.092 17717 8706 1 9 . 1 1 136 136 LEU H H 136 7.962 7.962 7.873 0.089 17717 8707 1 9 . 1 1 137 137 GLN N N 137 124.866 124.866 118.897 5.969 17717 8708 1 9 . 1 1 137 137 GLN HA H 137 4.222 4.222 3.972 0.250 17717 8709 1 9 . 1 1 137 137 GLN CA C 137 56.300 56.300 56.352 -0.052 17717 8710 1 9 . 1 1 137 137 GLN CB C 137 28.000 28.000 28.300 -0.300 17717 8711 1 9 . 1 1 137 137 GLN H H 137 7.938 7.938 8.287 -0.349 17717 8712 1 9 . 1 1 138 138 GLY N N 138 111.054 111.054 109.640 1.414 17717 8713 1 9 . 1 1 138 138 GLY CA C 138 44.800 44.800 45.755 -0.955 17717 8714 1 9 . 1 1 138 138 GLY H H 138 8.410 8.410 8.703 -0.293 17717 8715 1 9 . 1 1 139 139 ARG N N 139 116.366 116.366 120.831 -4.465 17717 8716 1 9 . 1 1 139 139 ARG HA H 139 4.230 4.230 4.512 -0.282 17717 8717 1 9 . 1 1 139 139 ARG CA C 139 56.300 56.300 56.293 0.007 17717 8718 1 9 . 1 1 139 139 ARG CB C 139 28.700 28.700 30.310 -1.610 17717 8719 1 9 . 1 1 139 139 ARG H H 139 8.080 8.080 8.117 -0.037 17717 8720 1 9 . 1 1 140 140 LEU N N 140 126.460 126.460 115.709 10.751 17717 8721 1 9 . 1 1 140 140 LEU HA H 140 4.220 4.220 3.928 0.292 17717 8722 1 9 . 1 1 140 140 LEU CA C 140 56.500 56.500 56.671 -0.171 17717 8723 1 9 . 1 1 140 140 LEU CB C 140 41.496 41.496 41.196 0.300 17717 8724 1 9 . 1 1 140 140 LEU H H 140 7.740 7.740 8.056 -0.316 17717 8725 1 9 . 1 1 141 141 SER N N 141 119.190 119.190 115.314 3.876 17717 8726 1 9 . 1 1 141 141 SER HA H 141 4.390 4.390 4.460 -0.070 17717 8727 1 9 . 1 1 141 141 SER CA C 141 56.384 56.384 58.288 -1.904 17717 8728 1 9 . 1 1 141 141 SER CB C 141 62.996 62.996 63.742 -0.747 17717 8729 1 9 . 1 1 141 141 SER H H 141 8.430 8.430 7.966 0.464 17717 8730 1 9 . 1 1 142 142 PRO CA C 142 64.840 64.840 64.587 0.253 17717 8731 1 9 . 1 1 142 142 PRO CB C 142 31.345 31.345 31.706 -0.361 17717 8732 1 9 . 1 1 143 143 VAL N N 143 116.900 116.900 117.051 -0.151 17717 8733 1 9 . 1 1 143 143 VAL HA H 143 4.100 4.100 3.939 0.161 17717 8734 1 9 . 1 1 143 143 VAL CA C 143 63.800 63.800 63.880 -0.080 17717 8735 1 9 . 1 1 143 143 VAL CB C 143 31.400 31.400 30.325 1.075 17717 8736 1 9 . 1 1 143 143 VAL H H 143 7.780 7.780 7.685 0.095 17717 8737 1 9 . 1 1 144 144 ALA N N 144 125.700 125.700 122.129 3.571 17717 8738 1 9 . 1 1 144 144 ALA HA H 144 4.390 4.390 4.056 0.334 17717 8739 1 9 . 1 1 144 144 ALA CA C 144 54.200 54.200 55.198 -0.998 17717 8740 1 9 . 1 1 144 144 ALA CB C 144 18.361 18.361 18.237 0.124 17717 8741 1 9 . 1 1 144 144 ALA H H 144 7.970 7.970 7.743 0.227 17717 8742 1 9 . 1 1 145 145 GLU N N 145 120.000 120.000 119.045 0.955 17717 8743 1 9 . 1 1 145 145 GLU HA H 145 3.920 3.920 4.030 -0.110 17717 8744 1 9 . 1 1 145 145 GLU CA C 145 59.400 59.400 59.495 -0.095 17717 8745 1 9 . 1 1 145 145 GLU CB C 145 28.400 28.400 29.021 -0.622 17717 8746 1 9 . 1 1 145 145 GLU H H 145 8.600 8.600 7.798 0.802 17717 8747 1 9 . 1 1 146 146 GLU N N 146 119.022 119.022 119.154 -0.132 17717 8748 1 9 . 1 1 146 146 GLU HA H 146 4.050 4.050 4.117 -0.067 17717 8749 1 9 . 1 1 146 146 GLU CA C 146 58.422 58.422 58.348 0.074 17717 8750 1 9 . 1 1 146 146 GLU CB C 146 28.172 28.172 28.860 -0.688 17717 8751 1 9 . 1 1 146 146 GLU H H 146 8.070 8.070 8.171 -0.101 17717 8752 1 9 . 1 1 147 147 PHE N N 147 117.023 117.023 120.596 -3.573 17717 8753 1 9 . 1 1 147 147 PHE HA H 147 4.523 4.523 4.273 0.250 17717 8754 1 9 . 1 1 147 147 PHE CA C 147 58.592 58.592 60.731 -2.139 17717 8755 1 9 . 1 1 147 147 PHE CB C 147 40.344 40.344 39.181 1.163 17717 8756 1 9 . 1 1 147 147 PHE H H 147 8.161 8.161 8.397 -0.236 17717 8757 1 9 . 1 1 148 148 ARG N N 148 120.085 120.085 120.553 -0.468 17717 8758 1 9 . 1 1 148 148 ARG HA H 148 4.136 4.136 4.047 0.089 17717 8759 1 9 . 1 1 148 148 ARG CA C 148 57.700 57.700 59.467 -1.767 17717 8760 1 9 . 1 1 148 148 ARG CB C 148 30.400 30.400 30.116 0.284 17717 8761 1 9 . 1 1 148 148 ARG H H 148 8.325 8.325 8.474 -0.149 17717 8762 1 9 . 1 1 149 149 ASP N N 149 118.530 118.530 118.095 0.435 17717 8763 1 9 . 1 1 149 149 ASP HA H 149 4.310 4.310 4.537 -0.227 17717 8764 1 9 . 1 1 149 149 ASP CA C 149 54.600 54.600 56.853 -2.253 17717 8765 1 9 . 1 1 149 149 ASP CB C 149 41.000 41.000 40.954 0.046 17717 8766 1 9 . 1 1 149 149 ASP H H 149 8.270 8.270 8.476 -0.206 17717 8767 1 9 . 1 1 150 150 ARG N N 150 126.460 126.460 120.261 6.199 17717 8768 1 9 . 1 1 150 150 ARG HA H 150 4.180 4.180 4.073 0.107 17717 8769 1 9 . 1 1 150 150 ARG CA C 150 56.850 56.850 58.936 -2.086 17717 8770 1 9 . 1 1 150 150 ARG CB C 150 30.451 30.451 30.167 0.284 17717 8771 1 9 . 1 1 150 150 ARG H H 150 7.860 7.860 8.016 -0.156 17717 8772 1 9 . 1 1 152 152 ARG CA C 152 55.764 55.764 59.719 -3.955 17717 8773 1 9 . 1 1 152 152 ARG CB C 152 30.014 30.014 30.267 -0.253 17717 8774 1 9 . 1 1 153 153 THR N N 153 115.832 115.832 114.937 0.895 17717 8775 1 9 . 1 1 153 153 THR HA H 153 4.350 4.350 4.067 0.283 17717 8776 1 9 . 1 1 153 153 THR CA C 153 61.200 61.200 66.628 -5.428 17717 8777 1 9 . 1 1 153 153 THR CB C 153 69.400 69.400 68.350 1.050 17717 8778 1 9 . 1 1 153 153 THR H H 153 8.170 8.170 7.875 0.295 17717 8779 1 9 . 1 1 154 154 HIS N N 154 129.120 129.120 122.700 6.420 17717 8780 1 9 . 1 1 154 154 HIS HA H 154 4.650 4.650 4.441 0.209 17717 8781 1 9 . 1 1 154 154 HIS CA C 154 56.800 56.800 58.693 -1.893 17717 8782 1 9 . 1 1 154 154 HIS CB C 154 30.400 30.400 29.488 0.912 17717 8783 1 9 . 1 1 154 154 HIS H H 154 7.950 7.950 8.400 -0.450 17717 8784 1 9 . 1 1 155 155 VAL N N 155 120.620 120.620 118.068 2.552 17717 8785 1 9 . 1 1 155 155 VAL HA H 155 4.012 4.012 3.395 0.617 17717 8786 1 9 . 1 1 155 155 VAL CA C 155 62.300 62.300 65.814 -3.514 17717 8787 1 9 . 1 1 155 155 VAL CB C 155 31.600 31.600 30.700 0.900 17717 8788 1 9 . 1 1 155 155 VAL H H 155 7.910 7.910 7.320 0.590 17717 8789 1 9 . 1 1 156 156 ASP N N 156 121.147 121.147 121.119 0.028 17717 8790 1 9 . 1 1 156 156 ASP HA H 156 4.440 4.440 4.345 0.095 17717 8791 1 9 . 1 1 156 156 ASP CA C 156 57.384 57.384 57.450 -0.066 17717 8792 1 9 . 1 1 156 156 ASP CB C 156 40.140 40.140 40.682 -0.542 17717 8793 1 9 . 1 1 156 156 ASP H H 156 8.100 8.100 8.444 -0.344 17717 8794 1 9 . 1 1 157 157 SER N N 157 116.366 116.366 116.471 -0.105 17717 8795 1 9 . 1 1 157 157 SER HA H 157 4.220 4.220 4.154 0.066 17717 8796 1 9 . 1 1 157 157 SER CA C 157 61.500 61.500 62.169 -0.669 17717 8797 1 9 . 1 1 157 157 SER CB C 157 62.500 62.500 63.216 -0.716 17717 8798 1 9 . 1 1 157 157 SER H H 157 8.700 8.700 8.116 0.584 17717 8799 1 9 . 1 1 158 158 LEU N N 158 123.272 123.272 122.426 0.846 17717 8800 1 9 . 1 1 158 158 LEU HA H 158 4.520 4.520 4.075 0.445 17717 8801 1 9 . 1 1 158 158 LEU CA C 158 57.140 57.140 58.707 -1.567 17717 8802 1 9 . 1 1 158 158 LEU CB C 158 40.900 40.900 41.979 -1.079 17717 8803 1 9 . 1 1 158 158 LEU H H 158 7.790 7.790 7.900 -0.110 17717 8804 1 9 . 1 1 159 159 ARG N N 159 119.553 119.553 116.639 2.914 17717 8805 1 9 . 1 1 159 159 ARG HA H 159 4.530 4.530 4.135 0.395 17717 8806 1 9 . 1 1 159 159 ARG CA C 159 56.800 56.800 59.041 -2.241 17717 8807 1 9 . 1 1 159 159 ARG CB C 159 29.000 29.000 30.139 -1.139 17717 8808 1 9 . 1 1 159 159 ARG H H 159 8.650 8.650 8.091 0.559 17717 8809 1 9 . 1 1 160 160 THR N N 160 115.304 115.304 116.453 -1.149 17717 8810 1 9 . 1 1 160 160 THR HA H 160 3.880 3.880 4.156 -0.276 17717 8811 1 9 . 1 1 160 160 THR CA C 160 65.300 65.300 65.859 -0.559 17717 8812 1 9 . 1 1 160 160 THR CB C 160 68.900 68.900 68.620 0.280 17717 8813 1 9 . 1 1 160 160 THR H H 160 8.100 8.100 8.146 -0.046 17717 8814 1 9 . 1 1 161 161 GLN N N 161 122.440 122.440 118.470 3.970 17717 8815 1 9 . 1 1 161 161 GLN HA H 161 4.220 4.220 4.338 -0.118 17717 8816 1 9 . 1 1 161 161 GLN CA C 161 56.900 56.900 58.349 -1.449 17717 8817 1 9 . 1 1 161 161 GLN CB C 161 26.160 26.160 29.192 -3.032 17717 8818 1 9 . 1 1 161 161 GLN H H 161 8.070 8.070 8.179 -0.109 17717 8819 1 9 . 1 1 162 162 LEU N N 162 115.398 115.398 120.689 -5.291 17717 8820 1 9 . 1 1 162 162 LEU HA H 162 4.220 4.220 4.451 -0.231 17717 8821 1 9 . 1 1 162 162 LEU CA C 162 56.500 56.500 56.171 0.329 17717 8822 1 9 . 1 1 162 162 LEU CB C 162 41.000 41.000 41.000 0.000 17717 8823 1 9 . 1 1 162 162 LEU H H 162 7.980 7.980 7.849 0.131 17717 8824 1 9 . 1 1 163 163 ALA N N 163 122.210 122.210 123.383 -1.173 17717 8825 1 9 . 1 1 163 163 ALA HA H 163 4.260 4.260 4.073 0.187 17717 8826 1 9 . 1 1 163 163 ALA CA C 163 56.560 56.560 57.088 -0.528 17717 8827 1 9 . 1 1 163 163 ALA CB C 163 15.000 15.000 16.036 -1.036 17717 8828 1 9 . 1 1 163 163 ALA H H 163 7.460 7.460 8.222 -0.762 17717 8829 1 9 . 1 1 164 164 PRO CA C 164 62.800 62.800 65.643 -2.843 17717 8830 1 9 . 1 1 164 164 PRO CB C 164 31.500 31.500 31.225 0.275 17717 8831 1 9 . 1 1 165 165 HIS N N 165 120.080 120.080 117.245 2.835 17717 8832 1 9 . 1 1 165 165 HIS HA H 165 4.390 4.390 4.223 0.167 17717 8833 1 9 . 1 1 165 165 HIS CA C 165 56.000 56.000 59.926 -3.926 17717 8834 1 9 . 1 1 165 165 HIS CB C 165 28.400 28.400 29.619 -1.219 17717 8835 1 9 . 1 1 165 165 HIS H H 165 8.060 8.060 7.719 0.341 17717 8836 1 9 . 1 1 166 166 SER N N 166 116.366 116.366 115.857 0.509 17717 8837 1 9 . 1 1 166 166 SER HA H 166 4.300 4.300 4.197 0.103 17717 8838 1 9 . 1 1 166 166 SER CA C 166 61.200 61.200 61.717 -0.517 17717 8839 1 9 . 1 1 166 166 SER CB C 166 63.000 63.000 63.490 -0.490 17717 8840 1 9 . 1 1 166 166 SER H H 166 8.040 8.040 8.435 -0.395 17717 8841 1 9 . 1 1 167 167 GLU N N 167 121.678 121.678 121.417 0.261 17717 8842 1 9 . 1 1 167 167 GLU HA H 167 3.922 3.922 3.995 -0.073 17717 8843 1 9 . 1 1 167 167 GLU CA C 167 62.800 62.800 59.508 3.292 17717 8844 1 9 . 1 1 167 167 GLU CB C 167 31.100 31.100 29.428 1.672 17717 8845 1 9 . 1 1 167 167 GLU H H 167 7.760 7.760 7.719 0.041 17717 8846 1 9 . 1 1 168 168 GLN N N 168 121.147 121.147 119.350 1.797 17717 8847 1 9 . 1 1 168 168 GLN HA H 168 4.320 4.320 4.141 0.179 17717 8848 1 9 . 1 1 168 168 GLN CA C 168 55.300 55.300 58.929 -3.629 17717 8849 1 9 . 1 1 168 168 GLN CB C 168 28.200 28.200 28.936 -0.736 17717 8850 1 9 . 1 1 168 168 GLN H H 168 8.450 8.450 8.282 0.168 17717 8851 1 9 . 1 1 170 170 ARG CA C 170 58.370 58.370 59.394 -1.024 17717 8852 1 9 . 1 1 170 170 ARG CB C 170 28.900 28.900 29.966 -1.066 17717 8853 1 9 . 1 1 171 171 GLU N N 171 117.960 117.960 119.448 -1.488 17717 8854 1 9 . 1 1 171 171 GLU HA H 171 4.140 4.140 4.193 -0.053 17717 8855 1 9 . 1 1 171 171 GLU CA C 171 57.300 57.300 58.956 -1.656 17717 8856 1 9 . 1 1 171 171 GLU CB C 171 29.200 29.200 29.735 -0.535 17717 8857 1 9 . 1 1 171 171 GLU H H 171 7.730 7.730 7.710 0.020 17717 8858 1 9 . 1 1 172 172 SER N N 172 116.366 116.366 116.912 -0.546 17717 8859 1 9 . 1 1 172 172 SER HA H 172 4.270 4.270 4.171 0.099 17717 8860 1 9 . 1 1 172 172 SER CA C 172 58.000 58.000 61.928 -3.928 17717 8861 1 9 . 1 1 172 172 SER CB C 172 63.000 63.000 62.546 0.454 17717 8862 1 9 . 1 1 172 172 SER H H 172 8.320 8.320 8.779 -0.459 17717 8863 1 9 . 1 1 173 173 LEU N N 173 124.866 124.866 121.116 3.750 17717 8864 1 9 . 1 1 173 173 LEU HA H 173 4.352 4.352 4.044 0.308 17717 8865 1 9 . 1 1 173 173 LEU CA C 173 54.540 54.540 57.651 -3.111 17717 8866 1 9 . 1 1 173 173 LEU CB C 173 41.400 41.400 41.373 0.027 17717 8867 1 9 . 1 1 173 173 LEU H H 173 8.260 8.260 7.801 0.459 17717 8868 1 9 . 1 1 174 174 ALA N N 174 126.460 126.460 121.063 5.397 17717 8869 1 9 . 1 1 174 174 ALA HA H 174 4.270 4.270 3.620 0.650 17717 8870 1 9 . 1 1 174 174 ALA CA C 174 55.400 55.400 54.658 0.742 17717 8871 1 9 . 1 1 174 174 ALA CB C 174 17.200 17.200 17.940 -0.740 17717 8872 1 9 . 1 1 174 174 ALA H H 174 8.210 8.210 7.305 0.905 17717 8873 1 9 . 1 1 175 175 GLN N N 175 117.430 117.430 118.664 -1.234 17717 8874 1 9 . 1 1 175 175 GLN HA H 175 4.060 4.060 3.989 0.071 17717 8875 1 9 . 1 1 175 175 GLN CA C 175 58.600 58.600 57.749 0.851 17717 8876 1 9 . 1 1 175 175 GLN CB C 175 27.400 27.400 28.346 -0.946 17717 8877 1 9 . 1 1 175 175 GLN H H 175 8.450 8.450 8.083 0.367 17717 8878 1 9 . 1 1 176 176 ARG N N 176 119.550 119.550 120.847 -1.297 17717 8879 1 9 . 1 1 176 176 ARG HA H 176 4.180 4.180 3.886 0.294 17717 8880 1 9 . 1 1 176 176 ARG CA C 176 56.900 56.900 59.641 -2.741 17717 8881 1 9 . 1 1 176 176 ARG CB C 176 29.300 29.300 30.036 -0.736 17717 8882 1 9 . 1 1 176 176 ARG H H 176 8.070 8.070 8.302 -0.232 17717 8883 1 9 . 1 1 177 177 LEU N N 177 115.840 115.840 116.412 -0.572 17717 8884 1 9 . 1 1 177 177 LEU HA H 177 4.180 4.180 3.902 0.278 17717 8885 1 9 . 1 1 177 177 LEU CA C 177 56.900 56.900 57.893 -0.993 17717 8886 1 9 . 1 1 177 177 LEU CB C 177 40.100 40.100 40.769 -0.669 17717 8887 1 9 . 1 1 177 177 LEU H H 177 8.330 8.330 7.393 0.937 17717 8888 1 9 . 1 1 178 178 ALA N N 178 121.220 121.220 121.333 -0.113 17717 8889 1 9 . 1 1 178 178 ALA HA H 178 3.880 3.880 3.923 -0.043 17717 8890 1 9 . 1 1 178 178 ALA CA C 178 54.600 54.600 54.649 -0.049 17717 8891 1 9 . 1 1 178 178 ALA CB C 178 16.900 16.900 18.032 -1.132 17717 8892 1 9 . 1 1 178 178 ALA H H 178 8.570 8.570 7.452 1.118 17717 8893 1 9 . 1 1 179 179 GLU N N 179 118.490 118.490 120.318 -1.828 17717 8894 1 9 . 1 1 179 179 GLU HA H 179 4.180 4.180 4.042 0.138 17717 8895 1 9 . 1 1 179 179 GLU CA C 179 56.600 56.600 59.143 -2.543 17717 8896 1 9 . 1 1 179 179 GLU CB C 179 29.000 29.000 29.753 -0.753 17717 8897 1 9 . 1 1 179 179 GLU H H 179 7.680 7.680 8.061 -0.381 17717 8898 1 9 . 1 1 180 180 LEU N N 180 117.730 117.730 118.198 -0.468 17717 8899 1 9 . 1 1 180 180 LEU HA H 180 4.265 4.265 4.076 0.189 17717 8900 1 9 . 1 1 180 180 LEU CA C 180 55.020 55.020 57.559 -2.539 17717 8901 1 9 . 1 1 180 180 LEU CB C 180 41.100 41.100 41.769 -0.669 17717 8902 1 9 . 1 1 180 180 LEU H H 180 7.680 7.680 7.667 0.013 17717 8903 1 9 . 1 1 181 181 LYS N N 181 117.400 117.400 119.536 -2.136 17717 8904 1 9 . 1 1 181 181 LYS HA H 181 4.480 4.480 3.863 0.617 17717 8905 1 9 . 1 1 181 181 LYS CA C 181 61.900 61.900 58.446 3.454 17717 8906 1 9 . 1 1 181 181 LYS CB C 181 31.800 31.800 32.715 -0.915 17717 8907 1 9 . 1 1 181 181 LYS H H 181 7.510 7.510 7.773 -0.263 17717 8908 1 9 . 1 1 182 182 SER N N 182 114.010 114.010 112.852 1.158 17717 8909 1 9 . 1 1 182 182 SER HA H 182 4.350 4.350 4.238 0.112 17717 8910 1 9 . 1 1 182 182 SER CA C 182 58.000 58.000 59.657 -1.657 17717 8911 1 9 . 1 1 182 182 SER CB C 182 63.300 63.300 63.965 -0.665 17717 8912 1 9 . 1 1 182 182 SER H H 182 7.920 7.920 7.840 0.080 17717 8913 1 9 . 1 1 183 183 ASN N N 183 123.040 123.040 118.773 4.267 17717 8914 1 9 . 1 1 183 183 ASN HA H 183 4.310 4.310 4.613 -0.303 17717 8915 1 9 . 1 1 183 183 ASN CA C 183 55.115 55.115 53.102 2.013 17717 8916 1 9 . 1 1 183 183 ASN CB C 183 37.838 37.838 37.994 -0.156 17717 8917 1 9 . 1 1 183 183 ASN H H 183 8.250 8.250 7.878 0.372 17717 8918 1 9 . 1 1 184 184 PRO CA C 184 63.180 63.180 64.452 -1.272 17717 8919 1 9 . 1 1 184 184 PRO CB C 184 31.400 31.400 32.412 -1.012 17717 8920 1 9 . 1 1 185 185 THR N N 185 114.240 114.240 111.238 3.002 17717 8921 1 9 . 1 1 185 185 THR HA H 185 4.270 4.270 4.527 -0.257 17717 8922 1 9 . 1 1 185 185 THR CA C 185 61.200 61.200 60.984 0.216 17717 8923 1 9 . 1 1 185 185 THR CB C 185 69.100 69.100 70.742 -1.642 17717 8924 1 9 . 1 1 185 185 THR H H 185 8.150 8.150 7.687 0.463 17717 8925 1 9 . 1 1 186 186 LEU N N 186 123.270 123.270 118.392 4.878 17717 8926 1 9 . 1 1 186 186 LEU HA H 186 4.350 4.350 4.805 -0.455 17717 8927 1 9 . 1 1 186 186 LEU CA C 186 55.000 55.000 53.832 1.168 17717 8928 1 9 . 1 1 186 186 LEU CB C 186 41.000 41.000 43.734 -2.734 17717 8929 1 9 . 1 1 186 186 LEU H H 186 8.430 8.430 7.962 0.468 17717 8930 1 9 . 1 1 187 187 ASN N N 187 119.020 119.020 117.708 1.312 17717 8931 1 9 . 1 1 187 187 ASN HA H 187 4.530 4.530 4.883 -0.353 17717 8932 1 9 . 1 1 187 187 ASN CA C 187 53.400 53.400 52.066 1.334 17717 8933 1 9 . 1 1 187 187 ASN CB C 187 37.900 37.900 40.149 -2.249 17717 8934 1 9 . 1 1 187 187 ASN H H 187 8.370 8.370 8.230 0.140 17717 8935 1 9 . 1 1 188 188 GLU N N 188 123.270 123.270 120.969 2.301 17717 8936 1 9 . 1 1 188 188 GLU HA H 188 4.000 4.000 4.098 -0.098 17717 8937 1 9 . 1 1 188 188 GLU CA C 188 61.700 61.700 58.712 2.988 17717 8938 1 9 . 1 1 188 188 GLU CB C 188 32.100 32.100 30.199 1.901 17717 8939 1 9 . 1 1 188 188 GLU H H 188 7.870 7.870 8.687 -0.817 17717 8940 1 9 . 1 1 189 189 TYR N N 189 122.210 122.210 115.789 6.421 17717 8941 1 9 . 1 1 189 189 TYR HA H 189 4.440 4.440 4.731 -0.291 17717 8942 1 9 . 1 1 189 189 TYR CA C 189 57.120 57.120 57.139 -0.019 17717 8943 1 9 . 1 1 189 189 TYR CB C 189 40.000 40.000 41.202 -1.202 17717 8944 1 9 . 1 1 189 189 TYR H H 189 8.590 8.590 7.797 0.793 17717 8945 1 9 . 1 1 190 190 HIS N N 190 124.866 124.866 120.382 4.484 17717 8946 1 9 . 1 1 190 190 HIS HA H 190 4.780 4.780 4.530 0.250 17717 8947 1 9 . 1 1 190 190 HIS CA C 190 56.000 56.000 56.079 -0.079 17717 8948 1 9 . 1 1 190 190 HIS CB C 190 29.400 29.400 28.884 0.516 17717 8949 1 9 . 1 1 190 190 HIS H H 190 8.420 8.420 8.549 -0.129 17717 8950 1 9 . 1 1 191 191 SER N N 191 117.429 117.429 119.398 -1.969 17717 8951 1 9 . 1 1 191 191 SER HA H 191 4.140 4.140 4.400 -0.260 17717 8952 1 9 . 1 1 191 191 SER CA C 191 58.140 58.140 59.465 -1.325 17717 8953 1 9 . 1 1 191 191 SER CB C 191 63.140 63.140 63.544 -0.404 17717 8954 1 9 . 1 1 191 191 SER H H 191 8.270 8.270 8.273 -0.003 17717 8955 1 9 . 1 1 192 192 SER N N 192 124.335 124.335 123.741 0.594 17717 8956 1 9 . 1 1 192 192 SER HA H 192 4.730 4.730 4.424 0.306 17717 8957 1 9 . 1 1 192 192 SER CA C 192 59.020 59.020 60.592 -1.572 17717 8958 1 9 . 1 1 192 192 SER CB C 192 63.000 63.000 63.701 -0.701 17717 8959 1 9 . 1 1 192 192 SER H H 192 8.010 8.010 8.549 -0.539 17717 8960 1 9 . 1 1 193 193 ALA N N 193 125.930 125.930 119.563 6.367 17717 8961 1 9 . 1 1 193 193 ALA HA H 193 4.310 4.310 3.772 0.538 17717 8962 1 9 . 1 1 193 193 ALA CA C 193 52.300 52.300 52.512 -0.212 17717 8963 1 9 . 1 1 193 193 ALA CB C 193 18.000 18.000 18.040 -0.040 17717 8964 1 9 . 1 1 193 193 ALA H H 193 8.100 8.100 8.097 0.003 17717 8965 1 9 . 1 1 194 194 LYS N N 194 126.460 126.460 121.047 5.413 17717 8966 1 9 . 1 1 194 194 LYS HA H 194 4.220 4.220 4.223 -0.003 17717 8967 1 9 . 1 1 194 194 LYS CA C 194 56.600 56.600 57.564 -0.964 17717 8968 1 9 . 1 1 194 194 LYS CB C 194 33.000 33.000 32.971 0.029 17717 8969 1 9 . 1 1 194 194 LYS H H 194 7.860 7.860 8.213 -0.353 17717 8970 1 9 . 1 1 195 195 SER N N 195 117.429 117.429 112.574 4.855 17717 8971 1 9 . 1 1 195 195 SER HA H 195 4.430 4.430 4.809 -0.379 17717 8972 1 9 . 1 1 195 195 SER CA C 195 58.499 58.499 57.199 1.300 17717 8973 1 9 . 1 1 195 195 SER CB C 195 63.129 63.129 62.686 0.443 17717 8974 1 9 . 1 1 195 195 SER H H 195 8.240 8.240 8.582 -0.342 17717 8975 1 9 . 1 1 196 196 HIS N N 196 122.440 122.440 122.129 0.311 17717 8976 1 9 . 1 1 196 196 HIS HA H 196 4.222 4.222 4.354 -0.132 17717 8977 1 9 . 1 1 196 196 HIS CA C 196 55.743 55.743 58.617 -2.874 17717 8978 1 9 . 1 1 196 196 HIS CB C 196 28.566 28.566 30.354 -1.788 17717 8979 1 9 . 1 1 196 196 HIS H H 196 8.044 8.044 8.481 -0.437 17717 8980 1 9 . 1 1 197 197 LEU N N 197 117.429 117.429 119.361 -1.932 17717 8981 1 9 . 1 1 197 197 LEU HA H 197 4.179 4.179 4.168 0.011 17717 8982 1 9 . 1 1 197 197 LEU CA C 197 54.540 54.540 58.186 -3.646 17717 8983 1 9 . 1 1 197 197 LEU CB C 197 40.040 40.040 41.981 -1.941 17717 8984 1 9 . 1 1 197 197 LEU H H 197 8.044 8.044 8.273 -0.229 17717 8985 1 9 . 1 1 198 198 LYS N N 198 117.430 117.430 119.354 -1.924 17717 8986 1 9 . 1 1 198 198 LYS HA H 198 4.140 4.140 3.997 0.143 17717 8987 1 9 . 1 1 198 198 LYS CA C 198 57.600 57.600 59.422 -1.822 17717 8988 1 9 . 1 1 198 198 LYS CB C 198 32.000 32.000 31.781 0.219 17717 8989 1 9 . 1 1 198 198 LYS H H 198 7.510 7.510 8.403 -0.893 17717 8990 1 9 . 1 1 199 199 SER N N 199 114.315 114.315 115.635 -1.320 17717 8991 1 9 . 1 1 199 199 SER HA H 199 4.310 4.310 4.179 0.131 17717 8992 1 9 . 1 1 199 199 SER CA C 199 62.000 62.000 61.103 0.897 17717 8993 1 9 . 1 1 199 199 SER CB C 199 63.600 63.600 63.043 0.557 17717 8994 1 9 . 1 1 199 199 SER H H 199 7.930 7.930 8.160 -0.230 17717 8995 1 9 . 1 1 200 200 LEU N N 200 124.335 124.335 122.243 2.092 17717 8996 1 9 . 1 1 200 200 LEU HA H 200 4.260 4.260 4.243 0.017 17717 8997 1 9 . 1 1 200 200 LEU CA C 200 55.200 55.200 57.196 -1.996 17717 8998 1 9 . 1 1 200 200 LEU CB C 200 41.200 41.200 41.791 -0.591 17717 8999 1 9 . 1 1 200 200 LEU H H 200 8.170 8.170 7.500 0.670 17717 9000 1 9 . 1 1 201 201 GLY N N 201 109.990 109.990 106.191 3.799 17717 9001 1 9 . 1 1 201 201 GLY CA C 201 44.700 44.700 46.897 -2.197 17717 9002 1 9 . 1 1 201 201 GLY H H 201 8.290 8.290 8.009 0.281 17717 9003 1 9 . 1 1 202 202 GLU N N 202 126.460 126.460 119.588 6.872 17717 9004 1 9 . 1 1 202 202 GLU HA H 202 4.220 4.220 4.150 0.070 17717 9005 1 9 . 1 1 202 202 GLU CA C 202 56.600 56.600 58.273 -1.673 17717 9006 1 9 . 1 1 202 202 GLU CB C 202 32.800 32.800 29.901 2.899 17717 9007 1 9 . 1 1 202 202 GLU H H 202 7.750 7.750 7.658 0.092 17717 9008 1 9 . 1 1 203 203 LYS CA C 203 55.775 55.775 54.933 0.842 17717 9009 1 9 . 1 1 203 203 LYS CB C 203 32.283 32.283 33.059 -0.777 17717 9010 1 9 . 1 1 204 204 ALA N N 204 125.390 125.390 122.612 2.778 17717 9011 1 9 . 1 1 204 204 ALA HA H 204 4.310 4.310 4.498 -0.188 17717 9012 1 9 . 1 1 204 204 ALA CA C 204 52.000 52.000 51.096 0.904 17717 9013 1 9 . 1 1 204 204 ALA CB C 204 18.400 18.400 21.051 -2.651 17717 9014 1 9 . 1 1 204 204 ALA H H 204 8.180 8.180 7.119 1.061 17717 9015 1 9 . 1 1 205 205 ARG N N 205 121.150 121.150 118.515 2.635 17717 9016 1 9 . 1 1 205 205 ARG HA H 205 4.270 4.270 4.352 -0.082 17717 9017 1 9 . 1 1 205 205 ARG CA C 205 56.384 56.384 53.895 2.489 17717 9018 1 9 . 1 1 205 205 ARG CB C 205 29.193 29.193 29.522 -0.329 17717 9019 1 9 . 1 1 205 205 ARG H H 205 8.350 8.350 8.445 -0.095 17717 9020 1 9 . 1 1 206 206 PRO CA C 206 62.600 62.600 63.810 -1.210 17717 9021 1 9 . 1 1 206 206 PRO CB C 206 31.400 31.400 30.156 1.244 17717 9022 1 9 . 1 1 207 207 ALA N N 207 125.400 125.400 123.836 1.564 17717 9023 1 9 . 1 1 207 207 ALA HA H 207 4.308 4.308 4.334 -0.026 17717 9024 1 9 . 1 1 207 207 ALA CA C 207 51.700 51.700 53.534 -1.834 17717 9025 1 9 . 1 1 207 207 ALA CB C 207 18.200 18.200 19.790 -1.590 17717 9026 1 9 . 1 1 207 207 ALA H H 207 8.400 8.400 8.447 -0.047 17717 9027 1 9 . 1 1 208 208 LEU N N 208 121.680 121.680 121.440 0.240 17717 9028 1 9 . 1 1 208 208 LEU HA H 208 4.480 4.480 4.277 0.203 17717 9029 1 9 . 1 1 208 208 LEU CA C 208 55.100 55.100 56.154 -1.054 17717 9030 1 9 . 1 1 208 208 LEU CB C 208 41.200 41.200 42.435 -1.235 17717 9031 1 9 . 1 1 208 208 LEU H H 208 8.180 8.180 7.757 0.423 17717 9032 1 9 . 1 1 209 209 GLU N N 209 121.147 121.147 119.997 1.150 17717 9033 1 9 . 1 1 209 209 GLU HA H 209 4.180 4.180 3.946 0.234 17717 9034 1 9 . 1 1 209 209 GLU CA C 209 56.477 56.477 59.535 -3.058 17717 9035 1 9 . 1 1 209 209 GLU CB C 209 29.250 29.250 28.939 0.311 17717 9036 1 9 . 1 1 209 209 GLU H H 209 8.380 8.380 8.423 -0.043 17717 9037 1 9 . 1 1 210 210 ASP N N 210 121.147 121.147 119.868 1.279 17717 9038 1 9 . 1 1 210 210 ASP HA H 210 4.260 4.260 4.553 -0.293 17717 9039 1 9 . 1 1 210 210 ASP CA C 210 55.000 55.000 57.079 -2.079 17717 9040 1 9 . 1 1 210 210 ASP CB C 210 37.200 37.200 41.395 -4.195 17717 9041 1 9 . 1 1 210 210 ASP H H 210 8.280 8.280 7.886 0.394 17717 9042 1 9 . 1 1 211 211 LEU N N 211 122.210 122.210 116.248 5.962 17717 9043 1 9 . 1 1 211 211 LEU HA H 211 4.220 4.220 4.436 -0.216 17717 9044 1 9 . 1 1 211 211 LEU CA C 211 57.400 57.400 56.712 0.688 17717 9045 1 9 . 1 1 211 211 LEU CB C 211 39.430 39.430 41.430 -2.000 17717 9046 1 9 . 1 1 211 211 LEU H H 211 8.640 8.640 7.468 1.172 17717 9047 1 9 . 1 1 212 212 ARG N N 212 119.550 119.550 118.284 1.266 17717 9048 1 9 . 1 1 212 212 ARG HA H 212 4.220 4.220 3.956 0.264 17717 9049 1 9 . 1 1 212 212 ARG CA C 212 57.400 57.400 58.632 -1.232 17717 9050 1 9 . 1 1 212 212 ARG CB C 212 29.600 29.600 30.277 -0.677 17717 9051 1 9 . 1 1 212 212 ARG H H 212 7.910 7.910 8.160 -0.250 17717 9052 1 9 . 1 1 213 213 HIS CA C 213 56.200 56.200 57.885 -1.685 17717 9053 1 9 . 1 1 213 213 HIS CB C 213 31.900 31.900 30.579 1.321 17717 9054 1 9 . 1 1 214 214 SER N N 214 116.366 116.366 115.965 0.401 17717 9055 1 9 . 1 1 214 214 SER HA H 214 4.265 4.265 4.437 -0.172 17717 9056 1 9 . 1 1 214 214 SER CA C 214 61.100 61.100 58.450 2.650 17717 9057 1 9 . 1 1 214 214 SER CB C 214 63.100 63.100 63.083 0.017 17717 9058 1 9 . 1 1 214 214 SER H H 214 8.140 8.140 7.690 0.450 17717 9059 1 9 . 1 1 215 215 LEU N N 215 130.565 130.565 128.342 2.223 17717 9060 1 9 . 1 1 215 215 LEU HA H 215 4.730 4.730 4.680 0.050 17717 9061 1 9 . 1 1 215 215 LEU CA C 215 54.900 54.900 54.312 0.588 17717 9062 1 9 . 1 1 215 215 LEU CB C 215 42.000 42.000 45.893 -3.893 17717 9063 1 9 . 1 1 215 215 LEU H H 215 7.890 7.890 8.266 -0.376 17717 9064 1 10 . 1 1 2 2 GLU N N 2 121.678 121.678 120.929 0.749 17717 9065 1 10 . 1 1 2 2 GLU HA H 2 4.488 4.488 4.496 -0.008 17717 9066 1 10 . 1 1 2 2 GLU CA C 2 56.418 56.418 55.147 1.271 17717 9067 1 10 . 1 1 2 2 GLU CB C 2 29.014 29.014 30.639 -1.625 17717 9068 1 10 . 1 1 2 2 GLU H H 2 8.276 8.276 8.121 0.155 17717 9069 1 10 . 1 1 3 3 PRO CA C 3 62.923 62.923 63.070 -0.147 17717 9070 1 10 . 1 1 3 3 PRO CB C 3 31.547 31.547 33.256 -1.709 17717 9071 1 10 . 1 1 4 4 GLN N N 4 121.147 121.147 122.483 -1.336 17717 9072 1 10 . 1 1 4 4 GLN HA H 4 4.349 4.349 4.238 0.111 17717 9073 1 10 . 1 1 4 4 GLN CA C 4 55.450 55.450 58.383 -2.933 17717 9074 1 10 . 1 1 4 4 GLN CB C 4 28.854 28.854 28.897 -0.043 17717 9075 1 10 . 1 1 4 4 GLN H H 4 8.500 8.500 9.010 -0.510 17717 9076 1 10 . 1 1 5 5 SER N N 5 117.429 117.429 108.336 9.093 17717 9077 1 10 . 1 1 5 5 SER HA H 5 4.329 4.329 3.855 0.474 17717 9078 1 10 . 1 1 5 5 SER CA C 5 58.100 58.100 57.766 0.334 17717 9079 1 10 . 1 1 5 5 SER CB C 5 63.485 63.485 63.441 0.044 17717 9080 1 10 . 1 1 5 5 SER H H 5 8.370 8.370 7.894 0.476 17717 9081 1 10 . 1 1 6 6 GLN N N 6 123.803 123.803 120.655 3.148 17717 9082 1 10 . 1 1 6 6 GLN CA C 6 56.330 56.330 58.651 -2.321 17717 9083 1 10 . 1 1 6 6 GLN CB C 6 28.800 28.800 28.944 -0.144 17717 9084 1 10 . 1 1 6 6 GLN H H 6 8.620 8.620 8.787 -0.167 17717 9085 1 10 . 1 1 7 7 TRP N N 7 119.022 119.022 119.396 -0.374 17717 9086 1 10 . 1 1 7 7 TRP HA H 7 4.394 4.394 4.381 0.013 17717 9087 1 10 . 1 1 7 7 TRP CA C 7 59.800 59.800 60.419 -0.619 17717 9088 1 10 . 1 1 7 7 TRP CB C 7 27.800 27.800 28.704 -0.904 17717 9089 1 10 . 1 1 7 7 TRP H H 7 7.970 7.970 8.023 -0.053 17717 9090 1 10 . 1 1 8 8 ASP N N 8 121.678 121.678 119.723 1.955 17717 9091 1 10 . 1 1 8 8 ASP HA H 8 4.409 4.409 3.989 0.420 17717 9092 1 10 . 1 1 8 8 ASP CA C 8 56.912 56.912 57.380 -0.468 17717 9093 1 10 . 1 1 8 8 ASP CB C 8 38.400 38.400 39.964 -1.564 17717 9094 1 10 . 1 1 8 8 ASP H H 8 8.440 8.440 7.222 1.218 17717 9095 1 10 . 1 1 9 9 LYS N N 9 120.616 120.616 120.409 0.207 17717 9096 1 10 . 1 1 9 9 LYS HA H 9 4.090 4.090 3.990 0.100 17717 9097 1 10 . 1 1 9 9 LYS CA C 9 58.277 58.277 59.227 -0.950 17717 9098 1 10 . 1 1 9 9 LYS CB C 9 31.550 31.550 32.529 -0.980 17717 9099 1 10 . 1 1 9 9 LYS H H 9 7.830 7.830 7.213 0.617 17717 9100 1 10 . 1 1 10 10 VAL N N 10 118.491 118.491 114.606 3.885 17717 9101 1 10 . 1 1 10 10 VAL HA H 10 3.830 3.830 4.219 -0.389 17717 9102 1 10 . 1 1 10 10 VAL CA C 10 65.630 65.630 66.612 -0.982 17717 9103 1 10 . 1 1 10 10 VAL CB C 10 31.300 31.300 31.306 -0.006 17717 9104 1 10 . 1 1 10 10 VAL H H 10 7.160 7.160 7.790 -0.630 17717 9105 1 10 . 1 1 11 11 LYS N N 11 122.210 122.210 119.144 3.066 17717 9106 1 10 . 1 1 11 11 LYS HA H 11 3.880 3.880 3.856 0.024 17717 9107 1 10 . 1 1 11 11 LYS CA C 11 59.460 59.460 59.229 0.231 17717 9108 1 10 . 1 1 11 11 LYS CB C 11 31.200 31.200 31.998 -0.798 17717 9109 1 10 . 1 1 11 11 LYS H H 11 8.660 8.660 7.675 0.985 17717 9110 1 10 . 1 1 12 12 ASP N N 12 119.553 119.553 120.478 -0.925 17717 9111 1 10 . 1 1 12 12 ASP HA H 12 4.140 4.140 4.446 -0.306 17717 9112 1 10 . 1 1 12 12 ASP CA C 12 57.381 57.381 57.559 -0.178 17717 9113 1 10 . 1 1 12 12 ASP CB C 12 39.800 39.800 40.921 -1.121 17717 9114 1 10 . 1 1 12 12 ASP H H 12 7.790 7.790 7.629 0.161 17717 9115 1 10 . 1 1 13 13 PHE N N 13 116.500 116.500 118.701 -2.201 17717 9116 1 10 . 1 1 13 13 PHE HA H 13 4.690 4.690 4.174 0.516 17717 9117 1 10 . 1 1 13 13 PHE CA C 13 58.662 58.662 60.526 -1.864 17717 9118 1 10 . 1 1 13 13 PHE CB C 13 38.700 38.700 38.020 0.680 17717 9119 1 10 . 1 1 13 13 PHE H H 13 7.680 7.680 7.713 -0.033 17717 9120 1 10 . 1 1 14 14 ALA N N 14 122.209 122.209 122.573 -0.364 17717 9121 1 10 . 1 1 14 14 ALA HA H 14 4.008 4.008 3.742 0.266 17717 9122 1 10 . 1 1 14 14 ALA CA C 14 54.550 54.550 54.670 -0.120 17717 9123 1 10 . 1 1 14 14 ALA CB C 14 17.250 17.250 17.984 -0.734 17717 9124 1 10 . 1 1 14 14 ALA H H 14 8.760 8.760 7.266 1.494 17717 9125 1 10 . 1 1 15 15 ASN N N 15 119.553 119.553 115.098 4.455 17717 9126 1 10 . 1 1 15 15 ASN HA H 15 4.520 4.520 4.349 0.171 17717 9127 1 10 . 1 1 15 15 ASN CA C 15 56.084 56.084 55.231 0.853 17717 9128 1 10 . 1 1 15 15 ASN CB C 15 38.544 38.544 38.432 0.112 17717 9129 1 10 . 1 1 15 15 ASN H H 15 8.930 8.930 7.572 1.358 17717 9130 1 10 . 1 1 16 16 VAL N N 16 116.897 116.897 121.921 -5.024 17717 9131 1 10 . 1 1 16 16 VAL HA H 16 3.590 3.590 3.684 -0.094 17717 9132 1 10 . 1 1 16 16 VAL CA C 16 64.600 64.600 67.772 -3.172 17717 9133 1 10 . 1 1 16 16 VAL CB C 16 31.800 31.800 31.671 0.129 17717 9134 1 10 . 1 1 16 16 VAL H H 16 7.870 7.870 7.559 0.311 17717 9135 1 10 . 1 1 17 17 TYR N N 17 112.116 112.116 117.843 -5.727 17717 9136 1 10 . 1 1 17 17 TYR HA H 17 4.751 4.751 4.396 0.355 17717 9137 1 10 . 1 1 17 17 TYR CA C 17 59.040 59.040 60.776 -1.736 17717 9138 1 10 . 1 1 17 17 TYR CB C 17 39.060 39.060 37.185 1.875 17717 9139 1 10 . 1 1 17 17 TYR H H 17 8.000 8.000 8.206 -0.206 17717 9140 1 10 . 1 1 18 18 VAL N N 18 114.241 114.241 120.974 -6.733 17717 9141 1 10 . 1 1 18 18 VAL HA H 18 4.220 4.220 3.462 0.758 17717 9142 1 10 . 1 1 18 18 VAL CA C 18 63.520 63.520 66.637 -3.117 17717 9143 1 10 . 1 1 18 18 VAL CB C 18 31.128 31.128 31.381 -0.253 17717 9144 1 10 . 1 1 18 18 VAL H H 18 7.600 7.600 6.817 0.783 17717 9145 1 10 . 1 1 19 19 ASP N N 19 123.272 123.272 120.129 3.143 17717 9146 1 10 . 1 1 19 19 ASP HA H 19 4.523 4.523 4.395 0.128 17717 9147 1 10 . 1 1 19 19 ASP CA C 19 56.445 56.445 57.728 -1.283 17717 9148 1 10 . 1 1 19 19 ASP CB C 19 38.700 38.700 40.964 -2.264 17717 9149 1 10 . 1 1 19 19 ASP H H 19 8.890 8.890 8.205 0.685 17717 9150 1 10 . 1 1 20 20 ALA N N 20 118.491 118.491 122.694 -4.203 17717 9151 1 10 . 1 1 20 20 ALA HA H 20 4.230 4.230 4.314 -0.084 17717 9152 1 10 . 1 1 20 20 ALA CA C 20 54.100 54.100 55.313 -1.213 17717 9153 1 10 . 1 1 20 20 ALA CB C 20 18.760 18.760 19.082 -0.322 17717 9154 1 10 . 1 1 20 20 ALA H H 20 6.630 6.630 7.560 -0.930 17717 9155 1 10 . 1 1 21 21 VAL N N 21 116.897 116.897 115.952 0.945 17717 9156 1 10 . 1 1 21 21 VAL HA H 21 3.664 3.664 3.384 0.280 17717 9157 1 10 . 1 1 21 21 VAL CA C 21 66.200 66.200 65.406 0.794 17717 9158 1 10 . 1 1 21 21 VAL CB C 21 30.460 30.460 31.376 -0.916 17717 9159 1 10 . 1 1 21 21 VAL H H 21 7.410 7.410 7.697 -0.287 17717 9160 1 10 . 1 1 22 22 LYS N N 22 121.147 121.147 119.316 1.831 17717 9161 1 10 . 1 1 22 22 LYS HA H 22 4.222 4.222 3.958 0.264 17717 9162 1 10 . 1 1 22 22 LYS CA C 22 59.300 59.300 59.349 -0.049 17717 9163 1 10 . 1 1 22 22 LYS CB C 22 31.100 31.100 31.943 -0.843 17717 9164 1 10 . 1 1 22 22 LYS H H 22 8.180 8.180 8.129 0.051 17717 9165 1 10 . 1 1 23 23 ASP N N 23 121.278 121.278 118.781 2.497 17717 9166 1 10 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.514 0.052 17717 9167 1 10 . 1 1 23 23 ASP CA C 23 56.300 56.300 56.753 -0.453 17717 9168 1 10 . 1 1 23 23 ASP CB C 23 38.800 38.800 40.862 -2.062 17717 9169 1 10 . 1 1 23 23 ASP H H 23 8.860 8.860 7.820 1.040 17717 9170 1 10 . 1 1 24 24 SER N N 24 118.491 118.491 114.975 3.516 17717 9171 1 10 . 1 1 24 24 SER HA H 24 4.132 4.132 3.922 0.210 17717 9172 1 10 . 1 1 24 24 SER CA C 24 61.600 61.600 60.841 0.759 17717 9173 1 10 . 1 1 24 24 SER CB C 24 62.442 62.442 62.372 0.070 17717 9174 1 10 . 1 1 24 24 SER H H 24 7.950 7.950 7.791 0.159 17717 9175 1 10 . 1 1 25 25 GLY N N 25 108.377 108.377 110.587 -2.210 17717 9176 1 10 . 1 1 25 25 GLY CA C 25 44.400 44.400 46.569 -2.169 17717 9177 1 10 . 1 1 25 25 GLY H H 25 7.560 7.560 7.726 -0.166 17717 9178 1 10 . 1 1 26 26 ARG N N 26 124.240 124.240 121.537 2.703 17717 9179 1 10 . 1 1 26 26 ARG HA H 26 4.303 4.303 4.146 0.157 17717 9180 1 10 . 1 1 26 26 ARG CA C 26 54.000 54.000 58.450 -4.450 17717 9181 1 10 . 1 1 26 26 ARG CB C 26 28.240 28.240 30.040 -1.800 17717 9182 1 10 . 1 1 26 26 ARG H H 26 8.200 8.200 7.766 0.434 17717 9183 1 10 . 1 1 27 27 ASP N N 27 121.678 121.678 119.205 2.473 17717 9184 1 10 . 1 1 27 27 ASP HA H 27 4.211 4.211 4.556 -0.345 17717 9185 1 10 . 1 1 27 27 ASP CA C 27 58.380 58.380 57.976 0.404 17717 9186 1 10 . 1 1 27 27 ASP CB C 27 40.400 40.400 41.434 -1.034 17717 9187 1 10 . 1 1 27 27 ASP H H 27 7.880 7.880 7.754 0.126 17717 9188 1 10 . 1 1 28 28 TYR N N 28 121.440 121.440 121.356 0.084 17717 9189 1 10 . 1 1 28 28 TYR HA H 28 4.480 4.480 4.551 -0.071 17717 9190 1 10 . 1 1 28 28 TYR CA C 28 57.800 57.800 60.640 -2.840 17717 9191 1 10 . 1 1 28 28 TYR CB C 28 38.322 38.322 38.887 -0.565 17717 9192 1 10 . 1 1 28 28 TYR H H 28 8.020 8.020 8.148 -0.128 17717 9193 1 10 . 1 1 29 29 VAL N N 29 123.272 123.272 118.487 4.785 17717 9194 1 10 . 1 1 29 29 VAL HA H 29 4.040 4.040 3.534 0.506 17717 9195 1 10 . 1 1 29 29 VAL CA C 29 66.400 66.400 64.884 1.516 17717 9196 1 10 . 1 1 29 29 VAL CB C 29 30.500 30.500 30.945 -0.445 17717 9197 1 10 . 1 1 29 29 VAL H H 29 8.280 8.280 8.237 0.043 17717 9198 1 10 . 1 1 30 30 SER N N 30 117.429 117.429 115.546 1.883 17717 9199 1 10 . 1 1 30 30 SER HA H 30 4.000 4.000 4.029 -0.029 17717 9200 1 10 . 1 1 30 30 SER CA C 30 61.070 61.070 61.795 -0.725 17717 9201 1 10 . 1 1 30 30 SER CB C 30 62.000 62.000 62.781 -0.781 17717 9202 1 10 . 1 1 30 30 SER H H 30 8.930 8.930 7.519 1.411 17717 9203 1 10 . 1 1 31 31 GLN N N 31 121.147 121.147 121.382 -0.235 17717 9204 1 10 . 1 1 31 31 GLN HA H 31 4.136 4.136 3.990 0.146 17717 9205 1 10 . 1 1 31 31 GLN CA C 31 58.210 58.210 58.229 -0.019 17717 9206 1 10 . 1 1 31 31 GLN CB C 31 27.600 27.600 28.103 -0.503 17717 9207 1 10 . 1 1 31 31 GLN H H 31 7.740 7.740 7.478 0.262 17717 9208 1 10 . 1 1 32 32 PHE N N 32 117.429 117.429 119.701 -2.272 17717 9209 1 10 . 1 1 32 32 PHE HA H 32 4.020 4.020 3.890 0.130 17717 9210 1 10 . 1 1 32 32 PHE CA C 32 60.600 60.600 61.240 -0.640 17717 9211 1 10 . 1 1 32 32 PHE CB C 32 36.896 36.896 38.642 -1.746 17717 9212 1 10 . 1 1 32 32 PHE H H 32 7.200 7.200 7.549 -0.349 17717 9213 1 10 . 1 1 33 33 GLU N N 33 122.210 122.210 118.364 3.846 17717 9214 1 10 . 1 1 33 33 GLU HA H 33 4.769 4.769 3.498 1.271 17717 9215 1 10 . 1 1 33 33 GLU CA C 33 59.220 59.220 58.722 0.498 17717 9216 1 10 . 1 1 33 33 GLU CB C 33 29.240 29.240 28.996 0.244 17717 9217 1 10 . 1 1 33 33 GLU H H 33 8.160 8.160 7.747 0.413 17717 9218 1 10 . 1 1 34 34 SER N N 34 109.991 109.991 113.498 -3.507 17717 9219 1 10 . 1 1 34 34 SER HA H 34 4.309 4.309 4.197 0.112 17717 9220 1 10 . 1 1 34 34 SER CA C 34 58.240 58.240 60.470 -2.230 17717 9221 1 10 . 1 1 34 34 SER CB C 34 63.260 63.260 62.884 0.376 17717 9222 1 10 . 1 1 34 34 SER H H 34 7.890 7.890 7.627 0.263 17717 9223 1 10 . 1 1 35 35 SER N N 35 120.085 120.085 118.033 2.052 17717 9224 1 10 . 1 1 35 35 SER HA H 35 4.354 4.354 3.527 0.827 17717 9225 1 10 . 1 1 35 35 SER CA C 35 58.100 58.100 61.356 -3.256 17717 9226 1 10 . 1 1 35 35 SER CB C 35 64.398 64.398 62.317 2.081 17717 9227 1 10 . 1 1 35 35 SER H H 35 7.420 7.420 7.719 -0.299 17717 9228 1 10 . 1 1 36 36 SER N N 36 116.130 116.130 118.891 -2.761 17717 9229 1 10 . 1 1 36 36 SER HA H 36 4.350 4.350 4.097 0.253 17717 9230 1 10 . 1 1 36 36 SER CA C 36 58.600 58.600 61.899 -3.299 17717 9231 1 10 . 1 1 36 36 SER CB C 36 63.370 63.370 62.726 0.644 17717 9232 1 10 . 1 1 36 36 SER H H 36 8.100 8.100 7.475 0.625 17717 9233 1 10 . 1 1 37 37 LEU N N 37 121.678 121.678 121.170 0.508 17717 9234 1 10 . 1 1 37 37 LEU HA H 37 4.222 4.222 4.146 0.076 17717 9235 1 10 . 1 1 37 37 LEU CA C 37 56.400 56.400 56.875 -0.475 17717 9236 1 10 . 1 1 37 37 LEU CB C 37 41.200 41.200 41.814 -0.614 17717 9237 1 10 . 1 1 37 37 LEU H H 37 8.290 8.290 7.375 0.915 17717 9238 1 10 . 1 1 38 38 GLY N N 38 108.400 108.400 106.086 2.314 17717 9239 1 10 . 1 1 38 38 GLY CA C 38 46.220 46.220 46.601 -0.381 17717 9240 1 10 . 1 1 38 38 GLY H H 38 7.280 7.280 7.996 -0.716 17717 9241 1 10 . 1 1 39 39 GLN N N 39 120.920 120.920 122.494 -1.574 17717 9242 1 10 . 1 1 39 39 GLN HA H 39 4.092 4.092 4.042 0.050 17717 9243 1 10 . 1 1 39 39 GLN CA C 39 57.423 57.423 59.047 -1.624 17717 9244 1 10 . 1 1 39 39 GLN CB C 39 28.847 28.847 28.494 0.353 17717 9245 1 10 . 1 1 39 39 GLN H H 39 8.360 8.360 8.238 0.122 17717 9246 1 10 . 1 1 40 40 GLN N N 40 118.648 118.648 118.883 -0.235 17717 9247 1 10 . 1 1 40 40 GLN HA H 40 4.040 4.040 4.105 -0.065 17717 9248 1 10 . 1 1 40 40 GLN CA C 40 57.471 57.471 58.514 -1.044 17717 9249 1 10 . 1 1 40 40 GLN CB C 40 28.777 28.777 28.448 0.329 17717 9250 1 10 . 1 1 40 40 GLN H H 40 7.630 7.630 7.672 -0.042 17717 9251 1 10 . 1 1 41 41 LEU N N 41 116.800 116.800 122.058 -5.258 17717 9252 1 10 . 1 1 41 41 LEU HA H 41 4.222 4.222 4.007 0.215 17717 9253 1 10 . 1 1 41 41 LEU CA C 41 55.400 55.400 58.151 -2.751 17717 9254 1 10 . 1 1 41 41 LEU CB C 41 41.754 41.754 42.123 -0.369 17717 9255 1 10 . 1 1 41 41 LEU H H 41 8.010 8.010 7.814 0.196 17717 9256 1 10 . 1 1 42 42 ASN N N 42 115.840 115.840 117.446 -1.606 17717 9257 1 10 . 1 1 42 42 ASN HA H 42 4.485 4.485 4.405 0.080 17717 9258 1 10 . 1 1 42 42 ASN CA C 42 53.500 53.500 56.379 -2.879 17717 9259 1 10 . 1 1 42 42 ASN CB C 42 37.000 37.000 38.687 -1.687 17717 9260 1 10 . 1 1 42 42 ASN H H 42 7.840 7.840 7.865 -0.025 17717 9261 1 10 . 1 1 43 43 LEU N N 43 118.490 118.490 121.023 -2.533 17717 9262 1 10 . 1 1 43 43 LEU HA H 43 4.480 4.480 4.408 0.072 17717 9263 1 10 . 1 1 43 43 LEU CA C 43 55.502 55.502 57.798 -2.296 17717 9264 1 10 . 1 1 43 43 LEU CB C 43 41.200 41.200 41.287 -0.087 17717 9265 1 10 . 1 1 43 43 LEU H H 43 9.670 9.670 7.967 1.703 17717 9266 1 10 . 1 1 44 44 ASN N N 44 119.553 119.553 117.516 2.037 17717 9267 1 10 . 1 1 44 44 ASN HA H 44 4.520 4.520 4.430 0.090 17717 9268 1 10 . 1 1 44 44 ASN CA C 44 52.770 52.770 56.727 -3.957 17717 9269 1 10 . 1 1 44 44 ASN CB C 44 36.200 36.200 38.611 -2.410 17717 9270 1 10 . 1 1 44 44 ASN H H 44 8.950 8.950 8.098 0.852 17717 9271 1 10 . 1 1 45 45 LEU N N 45 119.553 119.553 118.708 0.845 17717 9272 1 10 . 1 1 45 45 LEU HA H 45 4.048 4.048 4.197 -0.149 17717 9273 1 10 . 1 1 45 45 LEU CA C 45 55.569 55.569 57.819 -2.251 17717 9274 1 10 . 1 1 45 45 LEU CB C 45 41.250 41.250 41.495 -0.245 17717 9275 1 10 . 1 1 45 45 LEU H H 45 8.970 8.970 7.747 1.223 17717 9276 1 10 . 1 1 46 46 LEU N N 46 116.900 116.900 119.473 -2.573 17717 9277 1 10 . 1 1 46 46 LEU HA H 46 4.351 4.351 4.242 0.109 17717 9278 1 10 . 1 1 46 46 LEU CA C 46 54.684 54.684 57.790 -3.106 17717 9279 1 10 . 1 1 46 46 LEU CB C 46 39.800 39.800 42.128 -2.328 17717 9280 1 10 . 1 1 46 46 LEU H H 46 8.450 8.450 7.224 1.226 17717 9281 1 10 . 1 1 47 47 GLU N N 47 122.741 122.741 118.579 4.162 17717 9282 1 10 . 1 1 47 47 GLU HA H 47 4.018 4.018 3.938 0.080 17717 9283 1 10 . 1 1 47 47 GLU CA C 47 58.280 58.280 59.844 -1.564 17717 9284 1 10 . 1 1 47 47 GLU CB C 47 28.800 28.800 29.413 -0.613 17717 9285 1 10 . 1 1 47 47 GLU H H 47 7.490 7.490 8.106 -0.616 17717 9286 1 10 . 1 1 48 48 ASN N N 48 117.200 117.200 117.840 -0.640 17717 9287 1 10 . 1 1 48 48 ASN HA H 48 4.300 4.300 4.645 -0.345 17717 9288 1 10 . 1 1 48 48 ASN CA C 48 53.550 53.550 55.364 -1.814 17717 9289 1 10 . 1 1 48 48 ASN CB C 48 38.490 38.490 38.520 -0.030 17717 9290 1 10 . 1 1 48 48 ASN H H 48 8.450 8.450 8.544 -0.094 17717 9291 1 10 . 1 1 49 49 TRP N N 49 119.320 119.320 120.503 -1.183 17717 9292 1 10 . 1 1 49 49 TRP HA H 49 4.300 4.300 4.421 -0.121 17717 9293 1 10 . 1 1 49 49 TRP CA C 49 56.200 56.200 59.944 -3.744 17717 9294 1 10 . 1 1 49 49 TRP CB C 49 27.800 27.800 29.469 -1.669 17717 9295 1 10 . 1 1 49 49 TRP H H 49 8.050 8.050 7.719 0.331 17717 9296 1 10 . 1 1 50 50 ASP N N 50 124.860 124.860 115.890 8.970 17717 9297 1 10 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.542 0.148 17717 9298 1 10 . 1 1 50 50 ASP CA C 50 54.180 54.180 54.957 -0.777 17717 9299 1 10 . 1 1 50 50 ASP CB C 50 40.318 40.318 43.696 -3.378 17717 9300 1 10 . 1 1 50 50 ASP H H 50 8.470 8.470 7.725 0.745 17717 9301 1 10 . 1 1 51 51 THR N N 51 114.240 114.240 115.298 -1.058 17717 9302 1 10 . 1 1 51 51 THR HA H 51 4.250 4.250 4.568 -0.318 17717 9303 1 10 . 1 1 51 51 THR CA C 51 61.800 61.800 61.481 0.319 17717 9304 1 10 . 1 1 51 51 THR CB C 51 69.000 69.000 70.055 -1.055 17717 9305 1 10 . 1 1 51 51 THR H H 51 7.920 7.920 8.330 -0.410 17717 9306 1 10 . 1 1 52 52 LEU N N 52 124.335 124.335 127.050 -2.715 17717 9307 1 10 . 1 1 52 52 LEU HA H 52 4.261 4.261 4.204 0.057 17717 9308 1 10 . 1 1 52 52 LEU CA C 52 54.800 54.800 56.299 -1.499 17717 9309 1 10 . 1 1 52 52 LEU CB C 52 41.200 41.200 42.488 -1.288 17717 9310 1 10 . 1 1 52 52 LEU H H 52 8.000 8.000 8.593 -0.593 17717 9311 1 10 . 1 1 53 53 GLY N N 53 109.991 109.991 113.041 -3.050 17717 9312 1 10 . 1 1 53 53 GLY CA C 53 44.700 44.700 44.773 -0.073 17717 9313 1 10 . 1 1 53 53 GLY H H 53 8.450 8.450 8.274 0.176 17717 9314 1 10 . 1 1 54 54 SER N N 54 113.710 113.710 117.024 -3.314 17717 9315 1 10 . 1 1 54 54 SER HA H 54 4.480 4.480 4.408 0.072 17717 9316 1 10 . 1 1 54 54 SER CA C 54 57.300 57.300 59.656 -2.356 17717 9317 1 10 . 1 1 54 54 SER CB C 54 63.100 63.100 63.371 -0.271 17717 9318 1 10 . 1 1 54 54 SER H H 54 8.060 8.060 8.276 -0.216 17717 9319 1 10 . 1 1 55 55 THR N N 55 116.897 116.897 119.714 -2.817 17717 9320 1 10 . 1 1 55 55 THR HA H 55 4.044 4.044 4.686 -0.642 17717 9321 1 10 . 1 1 55 55 THR CA C 55 61.700 61.700 60.928 0.772 17717 9322 1 10 . 1 1 55 55 THR CB C 55 69.800 69.800 70.571 -0.771 17717 9323 1 10 . 1 1 55 55 THR H H 55 8.210 8.210 8.094 0.116 17717 9324 1 10 . 1 1 56 56 VAL N N 56 123.300 123.300 117.465 5.835 17717 9325 1 10 . 1 1 56 56 VAL HA H 56 3.793 3.793 4.592 -0.799 17717 9326 1 10 . 1 1 56 56 VAL CA C 56 66.384 66.384 60.345 6.039 17717 9327 1 10 . 1 1 56 56 VAL CB C 56 30.268 30.268 32.238 -1.970 17717 9328 1 10 . 1 1 56 56 VAL H H 56 8.280 8.280 8.174 0.106 17717 9329 1 10 . 1 1 57 57 SER N N 57 117.429 117.429 116.534 0.895 17717 9330 1 10 . 1 1 57 57 SER HA H 57 4.136 4.136 4.166 -0.030 17717 9331 1 10 . 1 1 57 57 SER CA C 57 61.100 61.100 61.355 -0.255 17717 9332 1 10 . 1 1 57 57 SER CB C 57 62.800 62.800 63.333 -0.533 17717 9333 1 10 . 1 1 57 57 SER H H 57 7.850 7.850 8.557 -0.707 17717 9334 1 10 . 1 1 58 58 GLN N N 58 128.580 128.580 114.737 13.843 17717 9335 1 10 . 1 1 58 58 GLN HA H 58 4.260 4.260 4.384 -0.124 17717 9336 1 10 . 1 1 58 58 GLN CA C 58 56.642 56.642 57.324 -0.682 17717 9337 1 10 . 1 1 58 58 GLN CB C 58 29.023 29.023 28.743 0.280 17717 9338 1 10 . 1 1 58 58 GLN H H 58 7.990 7.990 7.993 -0.003 17717 9339 1 10 . 1 1 59 59 LEU N N 59 122.210 122.210 119.734 2.476 17717 9340 1 10 . 1 1 59 59 LEU HA H 59 4.310 4.310 4.081 0.229 17717 9341 1 10 . 1 1 59 59 LEU CA C 59 55.300 55.300 58.592 -3.292 17717 9342 1 10 . 1 1 59 59 LEU CB C 59 41.160 41.160 40.966 0.194 17717 9343 1 10 . 1 1 59 59 LEU H H 59 8.050 8.050 8.236 -0.186 17717 9344 1 10 . 1 1 60 60 GLN N N 60 120.085 120.085 118.555 1.530 17717 9345 1 10 . 1 1 60 60 GLN HA H 60 4.222 4.222 4.046 0.176 17717 9346 1 10 . 1 1 60 60 GLN CA C 60 55.960 55.960 59.251 -3.291 17717 9347 1 10 . 1 1 60 60 GLN CB C 60 27.900 27.900 28.192 -0.292 17717 9348 1 10 . 1 1 60 60 GLN H H 60 8.210 8.210 8.583 -0.373 17717 9349 1 10 . 1 1 61 61 GLU N N 61 120.920 120.920 118.892 2.028 17717 9350 1 10 . 1 1 61 61 GLU HA H 61 4.216 4.216 3.991 0.225 17717 9351 1 10 . 1 1 61 61 GLU CA C 61 56.900 56.900 59.235 -2.335 17717 9352 1 10 . 1 1 61 61 GLU CB C 61 28.500 28.500 29.414 -0.914 17717 9353 1 10 . 1 1 61 61 GLU H H 61 8.590 8.590 8.551 0.039 17717 9354 1 10 . 1 1 62 62 ARG N N 62 118.833 118.833 117.947 0.886 17717 9355 1 10 . 1 1 62 62 ARG HA H 62 4.161 4.161 4.218 -0.057 17717 9356 1 10 . 1 1 62 62 ARG CA C 62 58.030 58.030 58.162 -0.132 17717 9357 1 10 . 1 1 62 62 ARG CB C 62 29.400 29.400 30.318 -0.918 17717 9358 1 10 . 1 1 62 62 ARG H H 62 7.680 7.680 8.293 -0.613 17717 9359 1 10 . 1 1 63 63 LEU N N 63 118.790 118.790 120.734 -1.944 17717 9360 1 10 . 1 1 63 63 LEU HA H 63 4.100 4.100 4.088 0.012 17717 9361 1 10 . 1 1 63 63 LEU CA C 63 56.360 56.360 57.571 -1.211 17717 9362 1 10 . 1 1 63 63 LEU CB C 63 41.130 41.130 41.366 -0.236 17717 9363 1 10 . 1 1 63 63 LEU H H 63 8.320 8.320 7.826 0.494 17717 9364 1 10 . 1 1 64 64 GLY N N 64 104.679 104.679 108.069 -3.390 17717 9365 1 10 . 1 1 64 64 GLY CA C 64 44.145 44.145 48.025 -3.880 17717 9366 1 10 . 1 1 64 64 GLY H H 64 7.220 7.220 8.282 -1.062 17717 9367 1 10 . 1 1 65 65 PRO CA C 65 62.817 62.817 64.790 -1.973 17717 9368 1 10 . 1 1 65 65 PRO CB C 65 31.290 31.290 31.429 -0.139 17717 9369 1 10 . 1 1 66 66 LEU N N 66 124.866 124.866 120.859 4.007 17717 9370 1 10 . 1 1 66 66 LEU HA H 66 4.609 4.609 4.253 0.356 17717 9371 1 10 . 1 1 66 66 LEU CA C 66 52.900 52.900 58.613 -5.713 17717 9372 1 10 . 1 1 66 66 LEU CB C 66 43.200 43.200 40.978 2.221 17717 9373 1 10 . 1 1 66 66 LEU H H 66 8.550 8.550 8.030 0.520 17717 9374 1 10 . 1 1 67 67 THR N N 67 112.116 112.116 113.090 -0.974 17717 9375 1 10 . 1 1 67 67 THR HA H 67 4.824 4.824 4.430 0.394 17717 9376 1 10 . 1 1 67 67 THR CA C 67 59.240 59.240 66.001 -6.761 17717 9377 1 10 . 1 1 67 67 THR CB C 67 71.550 71.550 68.970 2.580 17717 9378 1 10 . 1 1 67 67 THR H H 67 7.650 7.650 7.839 -0.189 17717 9379 1 10 . 1 1 68 68 ARG N N 68 120.085 120.085 119.773 0.312 17717 9380 1 10 . 1 1 68 68 ARG HA H 68 4.230 4.230 3.987 0.243 17717 9381 1 10 . 1 1 68 68 ARG CA C 68 58.600 58.600 59.292 -0.692 17717 9382 1 10 . 1 1 68 68 ARG CB C 68 28.900 28.900 30.068 -1.168 17717 9383 1 10 . 1 1 68 68 ARG H H 68 8.950 8.950 7.517 1.433 17717 9384 1 10 . 1 1 69 69 ASP N N 69 116.366 116.366 119.998 -3.632 17717 9385 1 10 . 1 1 69 69 ASP HA H 69 4.249 4.249 4.356 -0.107 17717 9386 1 10 . 1 1 69 69 ASP CA C 69 56.100 56.100 58.339 -2.239 17717 9387 1 10 . 1 1 69 69 ASP CB C 69 39.550 39.550 40.742 -1.192 17717 9388 1 10 . 1 1 69 69 ASP H H 69 8.100 8.100 7.909 0.191 17717 9389 1 10 . 1 1 70 70 PHE N N 70 119.553 119.553 118.678 0.875 17717 9390 1 10 . 1 1 70 70 PHE HA H 70 4.090 4.090 3.801 0.289 17717 9391 1 10 . 1 1 70 70 PHE CA C 70 60.700 60.700 59.384 1.316 17717 9392 1 10 . 1 1 70 70 PHE CB C 70 38.100 38.100 37.553 0.547 17717 9393 1 10 . 1 1 70 70 PHE H H 70 7.420 7.420 7.198 0.222 17717 9394 1 10 . 1 1 71 71 TRP N N 71 120.085 120.085 122.237 -2.152 17717 9395 1 10 . 1 1 71 71 TRP HA H 71 4.044 4.044 3.250 0.794 17717 9396 1 10 . 1 1 71 71 TRP CA C 71 58.100 58.100 61.355 -3.255 17717 9397 1 10 . 1 1 71 71 TRP CB C 71 28.100 28.100 28.717 -0.617 17717 9398 1 10 . 1 1 71 71 TRP H H 71 6.950 6.950 7.036 -0.086 17717 9399 1 10 . 1 1 72 72 ASP N N 72 121.450 121.450 117.705 3.745 17717 9400 1 10 . 1 1 72 72 ASP HA H 72 4.310 4.310 3.420 0.890 17717 9401 1 10 . 1 1 72 72 ASP CA C 72 55.350 55.350 56.308 -0.958 17717 9402 1 10 . 1 1 72 72 ASP CB C 72 40.000 40.000 40.223 -0.223 17717 9403 1 10 . 1 1 72 72 ASP H H 72 8.350 8.350 7.715 0.635 17717 9404 1 10 . 1 1 73 73 ASN N N 73 117.200 117.200 118.619 -1.419 17717 9405 1 10 . 1 1 73 73 ASN HA H 73 4.220 4.220 4.345 -0.125 17717 9406 1 10 . 1 1 73 73 ASN CA C 73 54.500 54.500 56.512 -2.012 17717 9407 1 10 . 1 1 73 73 ASN CB C 73 40.000 40.000 38.828 1.172 17717 9408 1 10 . 1 1 73 73 ASN H H 73 7.700 7.700 7.662 0.038 17717 9409 1 10 . 1 1 74 74 LEU N N 74 123.600 123.600 119.895 3.705 17717 9410 1 10 . 1 1 74 74 LEU HA H 74 4.350 4.350 4.339 0.011 17717 9411 1 10 . 1 1 74 74 LEU CA C 74 54.700 54.700 57.689 -2.989 17717 9412 1 10 . 1 1 74 74 LEU CB C 74 41.400 41.400 42.207 -0.807 17717 9413 1 10 . 1 1 74 74 LEU H H 74 8.330 8.330 8.382 -0.052 17717 9414 1 10 . 1 1 75 75 GLU N N 75 121.400 121.400 120.580 0.820 17717 9415 1 10 . 1 1 75 75 GLU HA H 75 4.000 4.000 3.783 0.217 17717 9416 1 10 . 1 1 75 75 GLU CA C 75 58.200 58.200 59.120 -0.920 17717 9417 1 10 . 1 1 75 75 GLU CB C 75 28.400 28.400 28.752 -0.352 17717 9418 1 10 . 1 1 75 75 GLU H H 75 8.600 8.600 8.189 0.411 17717 9419 1 10 . 1 1 76 76 LYS N N 76 118.000 118.000 118.636 -0.636 17717 9420 1 10 . 1 1 76 76 LYS HA H 76 4.117 4.117 4.096 0.021 17717 9421 1 10 . 1 1 76 76 LYS CA C 76 58.400 58.400 58.942 -0.542 17717 9422 1 10 . 1 1 76 76 LYS CB C 76 32.480 32.480 32.468 0.012 17717 9423 1 10 . 1 1 76 76 LYS H H 76 7.690 7.690 7.349 0.341 17717 9424 1 10 . 1 1 77 77 GLU N N 77 115.835 115.835 119.044 -3.209 17717 9425 1 10 . 1 1 77 77 GLU HA H 77 4.310 4.310 3.932 0.378 17717 9426 1 10 . 1 1 77 77 GLU CA C 77 54.785 54.785 60.129 -5.344 17717 9427 1 10 . 1 1 77 77 GLU CB C 77 28.355 28.355 29.372 -1.017 17717 9428 1 10 . 1 1 77 77 GLU H H 77 8.290 8.290 7.798 0.492 17717 9429 1 10 . 1 1 78 78 THR N N 78 120.300 120.300 112.372 7.928 17717 9430 1 10 . 1 1 78 78 THR HA H 78 4.410 4.410 3.862 0.548 17717 9431 1 10 . 1 1 78 78 THR CA C 78 68.100 68.100 66.414 1.686 17717 9432 1 10 . 1 1 78 78 THR CB C 78 69.451 69.451 68.642 0.809 17717 9433 1 10 . 1 1 78 78 THR H H 78 7.490 7.490 8.201 -0.711 17717 9434 1 10 . 1 1 79 79 ASP N N 79 120.085 120.085 121.901 -1.816 17717 9435 1 10 . 1 1 79 79 ASP HA H 79 4.480 4.480 4.338 0.142 17717 9436 1 10 . 1 1 79 79 ASP CA C 79 57.426 57.426 57.277 0.149 17717 9437 1 10 . 1 1 79 79 ASP CB C 79 39.240 39.240 40.764 -1.524 17717 9438 1 10 . 1 1 79 79 ASP H H 79 8.880 8.880 7.726 1.154 17717 9439 1 10 . 1 1 80 80 TRP N N 80 123.803 123.803 121.880 1.923 17717 9440 1 10 . 1 1 80 80 TRP HA H 80 4.280 4.280 4.325 -0.045 17717 9441 1 10 . 1 1 80 80 TRP CA C 80 60.660 60.660 61.641 -0.981 17717 9442 1 10 . 1 1 80 80 TRP CB C 80 27.000 27.000 30.348 -3.348 17717 9443 1 10 . 1 1 80 80 TRP H H 80 7.760 7.760 7.916 -0.156 17717 9444 1 10 . 1 1 81 81 VAL N N 81 118.790 118.790 117.238 1.552 17717 9445 1 10 . 1 1 81 81 VAL HA H 81 4.280 4.280 3.847 0.433 17717 9446 1 10 . 1 1 81 81 VAL CA C 81 61.200 61.200 66.253 -5.053 17717 9447 1 10 . 1 1 81 81 VAL CB C 81 29.900 29.900 31.693 -1.793 17717 9448 1 10 . 1 1 81 81 VAL H H 81 8.160 8.160 8.887 -0.727 17717 9449 1 10 . 1 1 82 82 ARG N N 82 119.190 119.190 119.986 -0.796 17717 9450 1 10 . 1 1 82 82 ARG HA H 82 4.480 4.480 3.955 0.525 17717 9451 1 10 . 1 1 82 82 ARG CA C 82 58.400 58.400 59.346 -0.946 17717 9452 1 10 . 1 1 82 82 ARG CB C 82 29.800 29.800 30.075 -0.275 17717 9453 1 10 . 1 1 82 82 ARG H H 82 7.100 7.100 8.384 -1.284 17717 9454 1 10 . 1 1 83 83 GLN N N 83 117.960 117.960 118.256 -0.296 17717 9455 1 10 . 1 1 83 83 GLN HA H 83 4.222 4.222 3.946 0.276 17717 9456 1 10 . 1 1 83 83 GLN CA C 83 55.600 55.600 58.430 -2.830 17717 9457 1 10 . 1 1 83 83 GLN CB C 83 28.550 28.550 28.177 0.373 17717 9458 1 10 . 1 1 83 83 GLN H H 83 8.050 8.050 7.727 0.323 17717 9459 1 10 . 1 1 84 84 GLU N N 84 119.022 119.022 118.786 0.236 17717 9460 1 10 . 1 1 84 84 GLU HA H 84 4.100 4.100 3.946 0.154 17717 9461 1 10 . 1 1 84 84 GLU CA C 84 57.300 57.300 58.248 -0.948 17717 9462 1 10 . 1 1 84 84 GLU CB C 84 28.600 28.600 29.025 -0.425 17717 9463 1 10 . 1 1 84 84 GLU H H 84 7.920 7.920 8.342 -0.422 17717 9464 1 10 . 1 1 85 85 MET N N 85 117.565 117.565 120.543 -2.978 17717 9465 1 10 . 1 1 85 85 MET HA H 85 4.265 4.265 3.967 0.298 17717 9466 1 10 . 1 1 85 85 MET CA C 85 55.020 55.020 59.213 -4.193 17717 9467 1 10 . 1 1 85 85 MET CB C 85 33.000 33.000 32.140 0.860 17717 9468 1 10 . 1 1 85 85 MET H H 85 8.230 8.230 7.880 0.350 17717 9469 1 10 . 1 1 86 86 ASN N N 86 119.022 119.022 116.491 2.531 17717 9470 1 10 . 1 1 86 86 ASN HA H 86 4.570 4.570 4.496 0.074 17717 9471 1 10 . 1 1 86 86 ASN CA C 86 56.000 56.000 55.743 0.257 17717 9472 1 10 . 1 1 86 86 ASN CB C 86 37.700 37.700 38.308 -0.608 17717 9473 1 10 . 1 1 86 86 ASN H H 86 8.600 8.600 7.759 0.841 17717 9474 1 10 . 1 1 87 87 LYS N N 87 120.273 120.273 120.395 -0.122 17717 9475 1 10 . 1 1 87 87 LYS HA H 87 4.100 4.100 3.868 0.232 17717 9476 1 10 . 1 1 87 87 LYS CA C 87 59.000 59.000 59.818 -0.818 17717 9477 1 10 . 1 1 87 87 LYS CB C 87 30.900 30.900 32.199 -1.299 17717 9478 1 10 . 1 1 87 87 LYS H H 87 7.220 7.220 7.635 -0.415 17717 9479 1 10 . 1 1 88 88 ASP N N 88 121.147 121.147 118.828 2.319 17717 9480 1 10 . 1 1 88 88 ASP HA H 88 4.480 4.480 4.400 0.080 17717 9481 1 10 . 1 1 88 88 ASP CA C 88 56.840 56.840 57.068 -0.228 17717 9482 1 10 . 1 1 88 88 ASP CB C 88 39.450 39.450 40.566 -1.116 17717 9483 1 10 . 1 1 88 88 ASP H H 88 7.390 7.390 8.038 -0.648 17717 9484 1 10 . 1 1 89 89 LEU N N 89 122.741 122.741 120.240 2.501 17717 9485 1 10 . 1 1 89 89 LEU HA H 89 4.470 4.470 3.898 0.572 17717 9486 1 10 . 1 1 89 89 LEU CA C 89 57.000 57.000 58.570 -1.570 17717 9487 1 10 . 1 1 89 89 LEU CB C 89 41.000 41.000 42.190 -1.190 17717 9488 1 10 . 1 1 89 89 LEU H H 89 8.910 8.910 7.404 1.506 17717 9489 1 10 . 1 1 90 90 GLU N N 90 119.553 119.553 117.604 1.949 17717 9490 1 10 . 1 1 90 90 GLU HA H 90 4.050 4.050 4.120 -0.070 17717 9491 1 10 . 1 1 90 90 GLU CA C 90 59.100 59.100 58.557 0.543 17717 9492 1 10 . 1 1 90 90 GLU CB C 90 28.556 28.556 29.719 -1.163 17717 9493 1 10 . 1 1 90 90 GLU H H 90 8.260 8.260 7.755 0.505 17717 9494 1 10 . 1 1 91 91 GLU N N 91 119.190 119.190 120.116 -0.926 17717 9495 1 10 . 1 1 91 91 GLU HA H 91 4.136 4.136 4.143 -0.007 17717 9496 1 10 . 1 1 91 91 GLU CA C 91 58.600 58.600 59.235 -0.635 17717 9497 1 10 . 1 1 91 91 GLU CB C 91 28.600 28.600 29.910 -1.310 17717 9498 1 10 . 1 1 91 91 GLU H H 91 7.470 7.470 8.076 -0.606 17717 9499 1 10 . 1 1 92 92 VAL N N 92 122.230 122.230 115.745 6.485 17717 9500 1 10 . 1 1 92 92 VAL HA H 92 3.837 3.837 3.932 -0.095 17717 9501 1 10 . 1 1 92 92 VAL CA C 92 65.900 65.900 66.304 -0.404 17717 9502 1 10 . 1 1 92 92 VAL CB C 92 29.200 29.200 32.072 -2.872 17717 9503 1 10 . 1 1 92 92 VAL H H 92 8.420 8.420 8.261 0.159 17717 9504 1 10 . 1 1 93 93 LYS N N 93 121.300 121.300 118.190 3.110 17717 9505 1 10 . 1 1 93 93 LYS HA H 93 3.836 3.836 4.216 -0.380 17717 9506 1 10 . 1 1 93 93 LYS CA C 93 59.900 59.900 58.595 1.305 17717 9507 1 10 . 1 1 93 93 LYS CB C 93 31.277 31.277 31.975 -0.698 17717 9508 1 10 . 1 1 93 93 LYS H H 93 9.000 9.000 7.667 1.333 17717 9509 1 10 . 1 1 94 94 GLN N N 94 116.900 116.900 116.990 -0.090 17717 9510 1 10 . 1 1 94 94 GLN HA H 94 4.094 4.094 4.274 -0.180 17717 9511 1 10 . 1 1 94 94 GLN CA C 94 57.731 57.731 57.633 0.098 17717 9512 1 10 . 1 1 94 94 GLN CB C 94 27.700 27.700 28.589 -0.889 17717 9513 1 10 . 1 1 94 94 GLN H H 94 7.320 7.320 7.628 -0.308 17717 9514 1 10 . 1 1 95 95 LYS N N 95 119.190 119.190 118.840 0.350 17717 9515 1 10 . 1 1 95 95 LYS HA H 95 4.137 4.137 4.230 -0.093 17717 9516 1 10 . 1 1 95 95 LYS CA C 95 57.700 57.700 58.738 -1.038 17717 9517 1 10 . 1 1 95 95 LYS CB C 95 31.800 31.800 33.265 -1.465 17717 9518 1 10 . 1 1 95 95 LYS H H 95 7.590 7.590 7.592 -0.002 17717 9519 1 10 . 1 1 96 96 VAL N N 96 111.000 111.000 117.144 -6.144 17717 9520 1 10 . 1 1 96 96 VAL HA H 96 4.138 4.138 3.463 0.675 17717 9521 1 10 . 1 1 96 96 VAL CA C 96 61.600 61.600 65.788 -4.188 17717 9522 1 10 . 1 1 96 96 VAL CB C 96 31.500 31.500 31.254 0.246 17717 9523 1 10 . 1 1 96 96 VAL H H 96 7.960 7.960 7.753 0.207 17717 9524 1 10 . 1 1 97 97 GLN N N 97 122.210 122.210 120.291 1.919 17717 9525 1 10 . 1 1 97 97 GLN HA H 97 4.030 4.030 3.969 0.061 17717 9526 1 10 . 1 1 97 97 GLN CA C 97 59.226 59.226 58.870 0.356 17717 9527 1 10 . 1 1 97 97 GLN CB C 97 24.578 24.578 27.005 -2.427 17717 9528 1 10 . 1 1 97 97 GLN H H 97 7.380 7.380 8.294 -0.914 17717 9529 1 10 . 1 1 98 98 PRO CA C 98 65.400 65.400 63.310 2.090 17717 9530 1 10 . 1 1 98 98 PRO CB C 98 30.336 30.336 32.242 -1.906 17717 9531 1 10 . 1 1 99 99 TYR N N 99 116.900 116.900 116.176 0.724 17717 9532 1 10 . 1 1 99 99 TYR HA H 99 4.480 4.480 4.191 0.289 17717 9533 1 10 . 1 1 99 99 TYR CA C 99 58.446 58.446 58.618 -0.172 17717 9534 1 10 . 1 1 99 99 TYR CB C 99 36.344 36.344 35.920 0.424 17717 9535 1 10 . 1 1 99 99 TYR H H 99 7.100 7.100 7.980 -0.880 17717 9536 1 10 . 1 1 100 100 LEU N N 100 123.270 123.270 124.405 -1.135 17717 9537 1 10 . 1 1 100 100 LEU HA H 100 3.964 3.964 4.624 -0.660 17717 9538 1 10 . 1 1 100 100 LEU CA C 100 57.300 57.300 55.325 1.975 17717 9539 1 10 . 1 1 100 100 LEU CB C 100 40.950 40.950 42.790 -1.840 17717 9540 1 10 . 1 1 100 100 LEU H H 100 7.500 7.500 8.232 -0.732 17717 9541 1 10 . 1 1 101 101 ASP N N 101 119.500 119.500 118.740 0.760 17717 9542 1 10 . 1 1 101 101 ASP HA H 101 3.810 3.810 4.635 -0.825 17717 9543 1 10 . 1 1 101 101 ASP CA C 101 58.200 58.200 54.593 3.607 17717 9544 1 10 . 1 1 101 101 ASP CB C 101 39.100 39.100 40.250 -1.150 17717 9545 1 10 . 1 1 101 101 ASP H H 101 8.450 8.450 8.133 0.317 17717 9546 1 10 . 1 1 102 102 GLU N N 102 121.221 121.221 121.323 -0.102 17717 9547 1 10 . 1 1 102 102 GLU HA H 102 4.222 4.222 3.959 0.263 17717 9548 1 10 . 1 1 102 102 GLU CA C 102 59.200 59.200 58.863 0.337 17717 9549 1 10 . 1 1 102 102 GLU CB C 102 31.100 31.100 28.724 2.376 17717 9550 1 10 . 1 1 102 102 GLU H H 102 8.190 8.190 8.394 -0.204 17717 9551 1 10 . 1 1 103 103 PHE N N 103 124.065 124.065 119.166 4.899 17717 9552 1 10 . 1 1 103 103 PHE HA H 103 4.520 4.520 4.186 0.334 17717 9553 1 10 . 1 1 103 103 PHE CA C 103 57.183 57.183 60.339 -3.156 17717 9554 1 10 . 1 1 103 103 PHE CB C 103 38.608 38.608 38.007 0.601 17717 9555 1 10 . 1 1 103 103 PHE H H 103 8.170 8.170 7.314 0.856 17717 9556 1 10 . 1 1 104 104 GLN N N 104 123.272 123.272 118.438 4.834 17717 9557 1 10 . 1 1 104 104 GLN HA H 104 4.222 4.222 4.098 0.124 17717 9558 1 10 . 1 1 104 104 GLN CA C 104 55.460 55.460 58.546 -3.086 17717 9559 1 10 . 1 1 104 104 GLN CB C 104 29.200 29.200 28.447 0.753 17717 9560 1 10 . 1 1 104 104 GLN H H 104 8.030 8.030 8.508 -0.478 17717 9561 1 10 . 1 1 105 105 LYS N N 105 119.600 119.600 120.271 -0.671 17717 9562 1 10 . 1 1 105 105 LYS HA H 105 4.136 4.136 4.062 0.074 17717 9563 1 10 . 1 1 105 105 LYS CA C 105 57.830 57.830 59.403 -1.573 17717 9564 1 10 . 1 1 105 105 LYS CB C 105 32.220 32.220 32.467 -0.246 17717 9565 1 10 . 1 1 105 105 LYS H H 105 7.800 7.800 7.839 -0.039 17717 9566 1 10 . 1 1 106 106 LYS N N 106 117.960 117.960 121.249 -3.289 17717 9567 1 10 . 1 1 106 106 LYS HA H 106 4.093 4.093 4.065 0.028 17717 9568 1 10 . 1 1 106 106 LYS CA C 106 57.860 57.860 59.283 -1.423 17717 9569 1 10 . 1 1 106 106 LYS CB C 106 32.080 32.080 31.871 0.209 17717 9570 1 10 . 1 1 106 106 LYS H H 106 7.740 7.740 8.060 -0.320 17717 9571 1 10 . 1 1 107 107 TRP N N 107 119.320 119.320 119.581 -0.261 17717 9572 1 10 . 1 1 107 107 TRP HA H 107 4.310 4.310 4.308 0.002 17717 9573 1 10 . 1 1 107 107 TRP CA C 107 54.900 54.900 59.792 -4.892 17717 9574 1 10 . 1 1 107 107 TRP CB C 107 28.400 28.400 29.560 -1.160 17717 9575 1 10 . 1 1 107 107 TRP H H 107 8.390 8.390 7.784 0.606 17717 9576 1 10 . 1 1 108 108 LYS N N 108 120.390 120.390 119.637 0.753 17717 9577 1 10 . 1 1 108 108 LYS HA H 108 4.350 4.350 3.824 0.526 17717 9578 1 10 . 1 1 108 108 LYS CA C 108 58.170 58.170 58.721 -0.551 17717 9579 1 10 . 1 1 108 108 LYS CB C 108 30.250 30.250 32.248 -1.998 17717 9580 1 10 . 1 1 108 108 LYS H H 108 7.420 7.420 7.907 -0.487 17717 9581 1 10 . 1 1 109 109 GLU N N 109 120.220 120.220 121.231 -1.011 17717 9582 1 10 . 1 1 109 109 GLU HA H 109 3.922 3.922 3.982 -0.060 17717 9583 1 10 . 1 1 109 109 GLU CA C 109 58.230 58.230 59.554 -1.324 17717 9584 1 10 . 1 1 109 109 GLU CB C 109 29.230 29.230 29.851 -0.621 17717 9585 1 10 . 1 1 109 109 GLU H H 109 7.800 7.800 7.626 0.174 17717 9586 1 10 . 1 1 110 110 ASP N N 110 121.678 121.678 119.593 2.085 17717 9587 1 10 . 1 1 110 110 ASP HA H 110 4.096 4.096 4.247 -0.151 17717 9588 1 10 . 1 1 110 110 ASP CA C 110 57.514 57.514 57.466 0.048 17717 9589 1 10 . 1 1 110 110 ASP CB C 110 40.005 40.005 40.612 -0.607 17717 9590 1 10 . 1 1 110 110 ASP H H 110 8.220 8.220 8.438 -0.218 17717 9591 1 10 . 1 1 111 111 VAL N N 111 123.537 123.537 117.628 5.909 17717 9592 1 10 . 1 1 111 111 VAL CA C 111 66.380 66.380 65.487 0.893 17717 9593 1 10 . 1 1 111 111 VAL CB C 111 30.800 30.800 30.931 -0.131 17717 9594 1 10 . 1 1 111 111 VAL H H 111 9.170 9.170 7.187 1.983 17717 9595 1 10 . 1 1 112 112 GLU N N 112 120.200 120.200 120.436 -0.236 17717 9596 1 10 . 1 1 112 112 GLU HA H 112 4.179 4.179 3.951 0.228 17717 9597 1 10 . 1 1 112 112 GLU CA C 112 58.431 58.431 59.556 -1.125 17717 9598 1 10 . 1 1 112 112 GLU CB C 112 27.878 27.878 29.362 -1.484 17717 9599 1 10 . 1 1 112 112 GLU H H 112 7.540 7.540 7.203 0.337 17717 9600 1 10 . 1 1 113 113 LEU N N 113 120.815 120.815 118.222 2.593 17717 9601 1 10 . 1 1 113 113 LEU HA H 113 4.439 4.439 3.788 0.651 17717 9602 1 10 . 1 1 113 113 LEU CA C 113 53.800 53.800 57.637 -3.837 17717 9603 1 10 . 1 1 113 113 LEU CB C 113 41.060 41.060 40.720 0.340 17717 9604 1 10 . 1 1 113 113 LEU H H 113 7.900 7.900 7.420 0.480 17717 9605 1 10 . 1 1 114 114 TYR N N 114 120.920 120.920 120.100 0.820 17717 9606 1 10 . 1 1 114 114 TYR HA H 114 4.520 4.520 4.035 0.485 17717 9607 1 10 . 1 1 114 114 TYR CA C 114 56.942 56.942 61.776 -4.834 17717 9608 1 10 . 1 1 114 114 TYR CB C 114 37.834 37.834 38.168 -0.334 17717 9609 1 10 . 1 1 114 114 TYR H H 114 8.370 8.370 8.006 0.364 17717 9610 1 10 . 1 1 115 115 ARG N N 115 118.260 118.260 117.618 0.642 17717 9611 1 10 . 1 1 115 115 ARG HA H 115 4.820 4.820 3.954 0.866 17717 9612 1 10 . 1 1 115 115 ARG CA C 115 55.700 55.700 59.419 -3.719 17717 9613 1 10 . 1 1 115 115 ARG CB C 115 30.600 30.600 29.508 1.092 17717 9614 1 10 . 1 1 115 115 ARG H H 115 7.630 7.630 8.069 -0.439 17717 9615 1 10 . 1 1 116 116 GLN N N 116 116.670 116.670 117.335 -0.665 17717 9616 1 10 . 1 1 116 116 GLN HA H 116 4.480 4.480 4.080 0.400 17717 9617 1 10 . 1 1 116 116 GLN CA C 116 57.100 57.100 58.191 -1.091 17717 9618 1 10 . 1 1 116 116 GLN CB C 116 28.060 28.060 28.194 -0.134 17717 9619 1 10 . 1 1 116 116 GLN H H 116 7.980 7.980 7.377 0.603 17717 9620 1 10 . 1 1 117 117 LYS N N 117 119.200 119.200 120.093 -0.893 17717 9621 1 10 . 1 1 117 117 LYS HA H 117 4.211 4.211 3.769 0.442 17717 9622 1 10 . 1 1 117 117 LYS CA C 117 56.700 56.700 58.401 -1.701 17717 9623 1 10 . 1 1 117 117 LYS CB C 117 32.100 32.100 31.429 0.671 17717 9624 1 10 . 1 1 117 117 LYS H H 117 7.780 7.780 7.447 0.333 17717 9625 1 10 . 1 1 118 118 ALA N N 118 122.740 122.740 120.228 2.512 17717 9626 1 10 . 1 1 118 118 ALA HA H 118 4.179 4.179 4.040 0.139 17717 9627 1 10 . 1 1 118 118 ALA CA C 118 52.100 52.100 53.501 -1.401 17717 9628 1 10 . 1 1 118 118 ALA CB C 118 18.100 18.100 19.159 -1.059 17717 9629 1 10 . 1 1 118 118 ALA H H 118 8.100 8.100 8.164 -0.064 17717 9630 1 10 . 1 1 119 119 SER N N 119 115.840 115.840 114.691 1.149 17717 9631 1 10 . 1 1 119 119 SER HA H 119 4.210 4.210 4.912 -0.702 17717 9632 1 10 . 1 1 119 119 SER CA C 119 55.900 55.900 54.281 1.619 17717 9633 1 10 . 1 1 119 119 SER CB C 119 62.900 62.900 63.661 -0.761 17717 9634 1 10 . 1 1 119 119 SER H H 119 7.800 7.800 7.519 0.281 17717 9635 1 10 . 1 1 120 120 PRO CA C 120 63.074 63.074 63.143 -0.069 17717 9636 1 10 . 1 1 120 120 PRO CB C 120 31.408 31.408 31.983 -0.575 17717 9637 1 10 . 1 1 121 121 GLN N N 121 120.800 120.800 126.902 -6.102 17717 9638 1 10 . 1 1 121 121 GLN HA H 121 4.350 4.350 4.047 0.303 17717 9639 1 10 . 1 1 121 121 GLN CA C 121 55.800 55.800 58.864 -3.064 17717 9640 1 10 . 1 1 121 121 GLN CB C 121 28.300 28.300 27.726 0.574 17717 9641 1 10 . 1 1 121 121 GLN H H 121 8.450 8.450 8.566 -0.116 17717 9642 1 10 . 1 1 122 122 GLY N N 122 109.991 109.991 107.081 2.910 17717 9643 1 10 . 1 1 122 122 GLY CA C 122 44.500 44.500 46.264 -1.764 17717 9644 1 10 . 1 1 122 122 GLY H H 122 8.380 8.380 8.910 -0.530 17717 9645 1 10 . 1 1 123 123 ALA N N 123 124.866 124.866 124.584 0.282 17717 9646 1 10 . 1 1 123 123 ALA HA H 123 4.280 4.280 3.974 0.306 17717 9647 1 10 . 1 1 123 123 ALA CA C 123 52.440 52.440 55.304 -2.864 17717 9648 1 10 . 1 1 123 123 ALA CB C 123 18.530 18.530 18.513 0.017 17717 9649 1 10 . 1 1 123 123 ALA H H 123 8.200 8.200 8.006 0.194 17717 9650 1 10 . 1 1 124 124 GLU N N 124 120.000 120.000 118.003 1.997 17717 9651 1 10 . 1 1 124 124 GLU HA H 124 4.265 4.265 4.148 0.117 17717 9652 1 10 . 1 1 124 124 GLU CA C 124 56.533 56.533 58.203 -1.670 17717 9653 1 10 . 1 1 124 124 GLU CB C 124 29.150 29.150 29.286 -0.136 17717 9654 1 10 . 1 1 124 124 GLU H H 124 8.510 8.510 7.793 0.717 17717 9655 1 10 . 1 1 125 125 LEU N N 125 122.740 122.740 123.405 -0.665 17717 9656 1 10 . 1 1 125 125 LEU HA H 125 4.222 4.222 4.078 0.144 17717 9657 1 10 . 1 1 125 125 LEU CA C 125 55.600 55.600 58.249 -2.649 17717 9658 1 10 . 1 1 125 125 LEU CB C 125 41.500 41.500 41.553 -0.053 17717 9659 1 10 . 1 1 125 125 LEU H H 125 8.110 8.110 8.469 -0.359 17717 9660 1 10 . 1 1 126 126 GLN N N 126 120.616 120.616 116.368 4.248 17717 9661 1 10 . 1 1 126 126 GLN HA H 126 4.140 4.140 4.064 0.076 17717 9662 1 10 . 1 1 126 126 GLN CA C 126 56.600 56.600 58.339 -1.739 17717 9663 1 10 . 1 1 126 126 GLN CB C 126 28.200 28.200 28.109 0.091 17717 9664 1 10 . 1 1 126 126 GLN H H 126 8.190 8.190 8.171 0.019 17717 9665 1 10 . 1 1 127 127 GLU N N 127 121.221 121.221 120.827 0.394 17717 9666 1 10 . 1 1 127 127 GLU HA H 127 4.480 4.480 4.084 0.396 17717 9667 1 10 . 1 1 127 127 GLU CA C 127 57.800 57.800 59.206 -1.406 17717 9668 1 10 . 1 1 127 127 GLU CB C 127 28.000 28.000 29.674 -1.674 17717 9669 1 10 . 1 1 127 127 GLU H H 127 8.130 8.130 7.706 0.424 17717 9670 1 10 . 1 1 128 128 SER N N 128 117.960 117.960 115.170 2.790 17717 9671 1 10 . 1 1 128 128 SER HA H 128 4.140 4.140 4.438 -0.298 17717 9672 1 10 . 1 1 128 128 SER CA C 128 57.800 57.800 61.128 -3.328 17717 9673 1 10 . 1 1 128 128 SER CB C 128 63.860 63.860 63.369 0.491 17717 9674 1 10 . 1 1 128 128 SER H H 128 8.580 8.580 8.497 0.083 17717 9675 1 10 . 1 1 129 129 ALA N N 129 132.300 132.300 125.671 6.629 17717 9676 1 10 . 1 1 129 129 ALA CA C 129 53.505 53.505 54.446 -0.941 17717 9677 1 10 . 1 1 129 129 ALA CB C 129 18.600 18.600 18.760 -0.160 17717 9678 1 10 . 1 1 129 129 ALA H H 129 7.980 7.980 7.923 0.057 17717 9679 1 10 . 1 1 130 130 ARG N N 130 119.553 119.553 115.183 4.370 17717 9680 1 10 . 1 1 130 130 ARG HA H 130 4.274 4.274 4.557 -0.283 17717 9681 1 10 . 1 1 130 130 ARG CA C 130 55.300 55.300 55.670 -0.370 17717 9682 1 10 . 1 1 130 130 ARG CB C 130 31.600 31.600 30.493 1.107 17717 9683 1 10 . 1 1 130 130 ARG H H 130 8.150 8.150 7.424 0.726 17717 9684 1 10 . 1 1 131 131 GLN N N 131 117.960 117.960 118.365 -0.405 17717 9685 1 10 . 1 1 131 131 GLN HA H 131 4.350 4.350 4.456 -0.106 17717 9686 1 10 . 1 1 131 131 GLN CA C 131 56.066 56.066 56.205 -0.139 17717 9687 1 10 . 1 1 131 131 GLN CB C 131 29.000 29.000 29.755 -0.755 17717 9688 1 10 . 1 1 131 131 GLN H H 131 7.880 7.880 7.650 0.230 17717 9689 1 10 . 1 1 132 132 LYS N N 132 121.357 121.357 121.317 0.040 17717 9690 1 10 . 1 1 132 132 LYS HA H 132 4.136 4.136 4.040 0.096 17717 9691 1 10 . 1 1 132 132 LYS CA C 132 56.800 56.800 59.801 -3.001 17717 9692 1 10 . 1 1 132 132 LYS CB C 132 31.100 31.100 32.522 -1.422 17717 9693 1 10 . 1 1 132 132 LYS H H 132 7.892 7.892 8.666 -0.774 17717 9694 1 10 . 1 1 133 133 LEU N N 133 120.620 120.620 116.632 3.988 17717 9695 1 10 . 1 1 133 133 LEU HA H 133 4.480 4.480 4.443 0.037 17717 9696 1 10 . 1 1 133 133 LEU CA C 133 53.900 53.900 55.977 -2.077 17717 9697 1 10 . 1 1 133 133 LEU CB C 133 41.230 41.230 43.630 -2.400 17717 9698 1 10 . 1 1 133 133 LEU H H 133 8.320 8.320 7.644 0.676 17717 9699 1 10 . 1 1 134 134 GLN N N 134 121.147 121.147 114.899 6.248 17717 9700 1 10 . 1 1 134 134 GLN HA H 134 4.222 4.222 4.410 -0.188 17717 9701 1 10 . 1 1 134 134 GLN CA C 134 56.146 56.146 55.478 0.668 17717 9702 1 10 . 1 1 134 134 GLN CB C 134 31.813 31.813 29.214 2.599 17717 9703 1 10 . 1 1 134 134 GLN H H 134 7.870 7.870 7.987 -0.117 17717 9704 1 10 . 1 1 135 135 GLU N N 135 121.678 121.678 121.148 0.530 17717 9705 1 10 . 1 1 135 135 GLU HA H 135 4.136 4.136 4.434 -0.297 17717 9706 1 10 . 1 1 135 135 GLU CA C 135 55.904 55.904 55.320 0.584 17717 9707 1 10 . 1 1 135 135 GLU CB C 135 28.953 28.953 28.003 0.950 17717 9708 1 10 . 1 1 135 135 GLU H H 135 7.892 7.892 8.851 -0.959 17717 9709 1 10 . 1 1 136 136 LEU N N 136 121.357 121.357 125.847 -4.490 17717 9710 1 10 . 1 1 136 136 LEU HA H 136 4.351 4.351 4.349 0.002 17717 9711 1 10 . 1 1 136 136 LEU CA C 136 54.765 54.765 55.030 -0.265 17717 9712 1 10 . 1 1 136 136 LEU CB C 136 41.823 41.823 39.971 1.852 17717 9713 1 10 . 1 1 136 136 LEU H H 136 7.962 7.962 7.850 0.112 17717 9714 1 10 . 1 1 137 137 GLN N N 137 124.866 124.866 119.531 5.335 17717 9715 1 10 . 1 1 137 137 GLN HA H 137 4.222 4.222 4.554 -0.332 17717 9716 1 10 . 1 1 137 137 GLN CA C 137 56.300 56.300 54.775 1.525 17717 9717 1 10 . 1 1 137 137 GLN CB C 137 28.000 28.000 31.667 -3.667 17717 9718 1 10 . 1 1 137 137 GLN H H 137 7.938 7.938 8.142 -0.204 17717 9719 1 10 . 1 1 138 138 GLY N N 138 111.054 111.054 108.067 2.987 17717 9720 1 10 . 1 1 138 138 GLY CA C 138 44.800 44.800 45.399 -0.599 17717 9721 1 10 . 1 1 138 138 GLY H H 138 8.410 8.410 8.489 -0.079 17717 9722 1 10 . 1 1 139 139 ARG N N 139 116.366 116.366 119.150 -2.784 17717 9723 1 10 . 1 1 139 139 ARG HA H 139 4.230 4.230 4.423 -0.193 17717 9724 1 10 . 1 1 139 139 ARG CA C 139 56.300 56.300 55.425 0.875 17717 9725 1 10 . 1 1 139 139 ARG CB C 139 28.700 28.700 30.381 -1.681 17717 9726 1 10 . 1 1 139 139 ARG H H 139 8.080 8.080 8.069 0.011 17717 9727 1 10 . 1 1 140 140 LEU N N 140 126.460 126.460 118.661 7.799 17717 9728 1 10 . 1 1 140 140 LEU HA H 140 4.220 4.220 4.261 -0.041 17717 9729 1 10 . 1 1 140 140 LEU CA C 140 56.500 56.500 55.479 1.021 17717 9730 1 10 . 1 1 140 140 LEU CB C 140 41.496 41.496 41.753 -0.257 17717 9731 1 10 . 1 1 140 140 LEU H H 140 7.740 7.740 8.097 -0.357 17717 9732 1 10 . 1 1 141 141 SER N N 141 119.190 119.190 116.701 2.489 17717 9733 1 10 . 1 1 141 141 SER HA H 141 4.390 4.390 4.431 -0.041 17717 9734 1 10 . 1 1 141 141 SER CA C 141 56.384 56.384 57.859 -1.475 17717 9735 1 10 . 1 1 141 141 SER CB C 141 62.996 62.996 62.710 0.286 17717 9736 1 10 . 1 1 141 141 SER H H 141 8.430 8.430 7.700 0.730 17717 9737 1 10 . 1 1 142 142 PRO CA C 142 64.840 64.840 64.675 0.165 17717 9738 1 10 . 1 1 142 142 PRO CB C 142 31.345 31.345 31.577 -0.232 17717 9739 1 10 . 1 1 143 143 VAL N N 143 116.900 116.900 114.867 2.033 17717 9740 1 10 . 1 1 143 143 VAL HA H 143 4.100 4.100 4.295 -0.195 17717 9741 1 10 . 1 1 143 143 VAL CA C 143 63.800 63.800 62.924 0.876 17717 9742 1 10 . 1 1 143 143 VAL CB C 143 31.400 31.400 30.648 0.752 17717 9743 1 10 . 1 1 143 143 VAL H H 143 7.780 7.780 7.711 0.069 17717 9744 1 10 . 1 1 144 144 ALA N N 144 125.700 125.700 122.234 3.466 17717 9745 1 10 . 1 1 144 144 ALA HA H 144 4.390 4.390 4.004 0.386 17717 9746 1 10 . 1 1 144 144 ALA CA C 144 54.200 54.200 55.200 -1.000 17717 9747 1 10 . 1 1 144 144 ALA CB C 144 18.361 18.361 18.124 0.237 17717 9748 1 10 . 1 1 144 144 ALA H H 144 7.970 7.970 7.704 0.266 17717 9749 1 10 . 1 1 145 145 GLU N N 145 120.000 120.000 118.952 1.048 17717 9750 1 10 . 1 1 145 145 GLU HA H 145 3.920 3.920 3.968 -0.048 17717 9751 1 10 . 1 1 145 145 GLU CA C 145 59.400 59.400 59.495 -0.095 17717 9752 1 10 . 1 1 145 145 GLU CB C 145 28.400 28.400 28.924 -0.524 17717 9753 1 10 . 1 1 145 145 GLU H H 145 8.600 8.600 7.767 0.833 17717 9754 1 10 . 1 1 146 146 GLU N N 146 119.022 119.022 118.509 0.513 17717 9755 1 10 . 1 1 146 146 GLU HA H 146 4.050 4.050 4.043 0.007 17717 9756 1 10 . 1 1 146 146 GLU CA C 146 58.422 58.422 58.574 -0.152 17717 9757 1 10 . 1 1 146 146 GLU CB C 146 28.172 28.172 28.681 -0.509 17717 9758 1 10 . 1 1 146 146 GLU H H 146 8.070 8.070 8.463 -0.393 17717 9759 1 10 . 1 1 147 147 PHE N N 147 117.023 117.023 122.938 -5.915 17717 9760 1 10 . 1 1 147 147 PHE HA H 147 4.523 4.523 4.146 0.377 17717 9761 1 10 . 1 1 147 147 PHE CA C 147 58.592 58.592 61.365 -2.773 17717 9762 1 10 . 1 1 147 147 PHE CB C 147 40.344 40.344 39.297 1.047 17717 9763 1 10 . 1 1 147 147 PHE H H 147 8.161 8.161 8.045 0.116 17717 9764 1 10 . 1 1 148 148 ARG N N 148 120.085 120.085 119.655 0.430 17717 9765 1 10 . 1 1 148 148 ARG HA H 148 4.136 4.136 3.990 0.146 17717 9766 1 10 . 1 1 148 148 ARG CA C 148 57.700 57.700 59.637 -1.937 17717 9767 1 10 . 1 1 148 148 ARG CB C 148 30.400 30.400 30.084 0.316 17717 9768 1 10 . 1 1 148 148 ARG H H 148 8.325 8.325 8.592 -0.267 17717 9769 1 10 . 1 1 149 149 ASP N N 149 118.530 118.530 117.773 0.757 17717 9770 1 10 . 1 1 149 149 ASP HA H 149 4.310 4.310 4.414 -0.104 17717 9771 1 10 . 1 1 149 149 ASP CA C 149 54.600 54.600 56.765 -2.165 17717 9772 1 10 . 1 1 149 149 ASP CB C 149 41.000 41.000 40.776 0.224 17717 9773 1 10 . 1 1 149 149 ASP H H 149 8.270 8.270 8.347 -0.077 17717 9774 1 10 . 1 1 150 150 ARG N N 150 126.460 126.460 119.570 6.890 17717 9775 1 10 . 1 1 150 150 ARG HA H 150 4.180 4.180 3.685 0.495 17717 9776 1 10 . 1 1 150 150 ARG CA C 150 56.850 56.850 58.352 -1.502 17717 9777 1 10 . 1 1 150 150 ARG CB C 150 30.451 30.451 29.602 0.849 17717 9778 1 10 . 1 1 150 150 ARG H H 150 7.860 7.860 7.645 0.215 17717 9779 1 10 . 1 1 152 152 ARG CA C 152 55.764 55.764 59.363 -3.599 17717 9780 1 10 . 1 1 152 152 ARG CB C 152 30.014 30.014 30.612 -0.598 17717 9781 1 10 . 1 1 153 153 THR N N 153 115.832 115.832 113.105 2.727 17717 9782 1 10 . 1 1 153 153 THR HA H 153 4.350 4.350 4.037 0.313 17717 9783 1 10 . 1 1 153 153 THR CA C 153 61.200 61.200 66.389 -5.189 17717 9784 1 10 . 1 1 153 153 THR CB C 153 69.400 69.400 68.701 0.699 17717 9785 1 10 . 1 1 153 153 THR H H 153 8.170 8.170 8.203 -0.033 17717 9786 1 10 . 1 1 154 154 HIS N N 154 129.120 129.120 120.597 8.523 17717 9787 1 10 . 1 1 154 154 HIS HA H 154 4.650 4.650 4.237 0.413 17717 9788 1 10 . 1 1 154 154 HIS CA C 154 56.800 56.800 58.378 -1.578 17717 9789 1 10 . 1 1 154 154 HIS CB C 154 30.400 30.400 28.669 1.731 17717 9790 1 10 . 1 1 154 154 HIS H H 154 7.950 7.950 8.002 -0.052 17717 9791 1 10 . 1 1 155 155 VAL N N 155 120.620 120.620 117.941 2.679 17717 9792 1 10 . 1 1 155 155 VAL HA H 155 4.012 4.012 3.693 0.319 17717 9793 1 10 . 1 1 155 155 VAL CA C 155 62.300 62.300 65.948 -3.648 17717 9794 1 10 . 1 1 155 155 VAL CB C 155 31.600 31.600 30.970 0.630 17717 9795 1 10 . 1 1 155 155 VAL H H 155 7.910 7.910 7.612 0.298 17717 9796 1 10 . 1 1 156 156 ASP N N 156 121.147 121.147 119.623 1.524 17717 9797 1 10 . 1 1 156 156 ASP HA H 156 4.440 4.440 4.456 -0.016 17717 9798 1 10 . 1 1 156 156 ASP CA C 156 57.384 57.384 57.081 0.303 17717 9799 1 10 . 1 1 156 156 ASP CB C 156 40.140 40.140 40.847 -0.707 17717 9800 1 10 . 1 1 156 156 ASP H H 156 8.100 8.100 7.623 0.477 17717 9801 1 10 . 1 1 157 157 SER N N 157 116.366 116.366 116.893 -0.527 17717 9802 1 10 . 1 1 157 157 SER HA H 157 4.220 4.220 4.151 0.069 17717 9803 1 10 . 1 1 157 157 SER CA C 157 61.500 61.500 61.959 -0.459 17717 9804 1 10 . 1 1 157 157 SER CB C 157 62.500 62.500 63.375 -0.875 17717 9805 1 10 . 1 1 157 157 SER H H 157 8.700 8.700 8.381 0.319 17717 9806 1 10 . 1 1 158 158 LEU N N 158 123.272 123.272 122.899 0.373 17717 9807 1 10 . 1 1 158 158 LEU HA H 158 4.520 4.520 4.417 0.103 17717 9808 1 10 . 1 1 158 158 LEU CA C 158 57.140 57.140 58.033 -0.893 17717 9809 1 10 . 1 1 158 158 LEU CB C 158 40.900 40.900 42.000 -1.100 17717 9810 1 10 . 1 1 158 158 LEU H H 158 7.790 7.790 8.822 -1.032 17717 9811 1 10 . 1 1 159 159 ARG N N 159 119.553 119.553 116.761 2.792 17717 9812 1 10 . 1 1 159 159 ARG HA H 159 4.530 4.530 4.166 0.364 17717 9813 1 10 . 1 1 159 159 ARG CA C 159 56.800 56.800 58.895 -2.095 17717 9814 1 10 . 1 1 159 159 ARG CB C 159 29.000 29.000 30.200 -1.200 17717 9815 1 10 . 1 1 159 159 ARG H H 159 8.650 8.650 7.736 0.914 17717 9816 1 10 . 1 1 160 160 THR N N 160 115.304 115.304 115.710 -0.406 17717 9817 1 10 . 1 1 160 160 THR HA H 160 3.880 3.880 4.091 -0.211 17717 9818 1 10 . 1 1 160 160 THR CA C 160 65.300 65.300 66.546 -1.246 17717 9819 1 10 . 1 1 160 160 THR CB C 160 68.900 68.900 68.623 0.277 17717 9820 1 10 . 1 1 160 160 THR H H 160 8.100 8.100 8.222 -0.122 17717 9821 1 10 . 1 1 161 161 GLN N N 161 122.440 122.440 118.762 3.678 17717 9822 1 10 . 1 1 161 161 GLN HA H 161 4.220 4.220 4.380 -0.160 17717 9823 1 10 . 1 1 161 161 GLN CA C 161 56.900 56.900 58.101 -1.201 17717 9824 1 10 . 1 1 161 161 GLN CB C 161 26.160 26.160 29.301 -3.141 17717 9825 1 10 . 1 1 161 161 GLN H H 161 8.070 8.070 7.976 0.094 17717 9826 1 10 . 1 1 162 162 LEU N N 162 115.398 115.398 121.512 -6.114 17717 9827 1 10 . 1 1 162 162 LEU HA H 162 4.220 4.220 4.541 -0.321 17717 9828 1 10 . 1 1 162 162 LEU CA C 162 56.500 56.500 55.899 0.601 17717 9829 1 10 . 1 1 162 162 LEU CB C 162 41.000 41.000 41.060 -0.060 17717 9830 1 10 . 1 1 162 162 LEU H H 162 7.980 7.980 7.687 0.293 17717 9831 1 10 . 1 1 163 163 ALA N N 163 122.210 122.210 123.155 -0.945 17717 9832 1 10 . 1 1 163 163 ALA HA H 163 4.260 4.260 4.156 0.104 17717 9833 1 10 . 1 1 163 163 ALA CA C 163 56.560 56.560 57.130 -0.570 17717 9834 1 10 . 1 1 163 163 ALA CB C 163 15.000 15.000 16.258 -1.258 17717 9835 1 10 . 1 1 163 163 ALA H H 163 7.460 7.460 8.345 -0.885 17717 9836 1 10 . 1 1 164 164 PRO CA C 164 62.800 62.800 65.938 -3.138 17717 9837 1 10 . 1 1 164 164 PRO CB C 164 31.500 31.500 31.190 0.310 17717 9838 1 10 . 1 1 165 165 HIS N N 165 120.080 120.080 116.930 3.150 17717 9839 1 10 . 1 1 165 165 HIS HA H 165 4.390 4.390 4.282 0.108 17717 9840 1 10 . 1 1 165 165 HIS CA C 165 56.000 56.000 59.302 -3.302 17717 9841 1 10 . 1 1 165 165 HIS CB C 165 28.400 28.400 29.755 -1.355 17717 9842 1 10 . 1 1 165 165 HIS H H 165 8.060 8.060 7.807 0.253 17717 9843 1 10 . 1 1 166 166 SER N N 166 116.366 116.366 114.752 1.614 17717 9844 1 10 . 1 1 166 166 SER HA H 166 4.300 4.300 3.992 0.308 17717 9845 1 10 . 1 1 166 166 SER CA C 166 61.200 61.200 61.555 -0.355 17717 9846 1 10 . 1 1 166 166 SER CB C 166 63.000 63.000 62.982 0.018 17717 9847 1 10 . 1 1 166 166 SER H H 166 8.040 8.040 8.213 -0.173 17717 9848 1 10 . 1 1 167 167 GLU N N 167 121.678 121.678 121.833 -0.155 17717 9849 1 10 . 1 1 167 167 GLU HA H 167 3.922 3.922 4.008 -0.086 17717 9850 1 10 . 1 1 167 167 GLU CA C 167 62.800 62.800 59.567 3.233 17717 9851 1 10 . 1 1 167 167 GLU CB C 167 31.100 31.100 29.472 1.628 17717 9852 1 10 . 1 1 167 167 GLU H H 167 7.760 7.760 7.923 -0.163 17717 9853 1 10 . 1 1 168 168 GLN N N 168 121.147 121.147 118.781 2.366 17717 9854 1 10 . 1 1 168 168 GLN HA H 168 4.320 4.320 4.083 0.237 17717 9855 1 10 . 1 1 168 168 GLN CA C 168 55.300 55.300 58.938 -3.638 17717 9856 1 10 . 1 1 168 168 GLN CB C 168 28.200 28.200 28.827 -0.627 17717 9857 1 10 . 1 1 168 168 GLN H H 168 8.450 8.450 8.454 -0.004 17717 9858 1 10 . 1 1 170 170 ARG CA C 170 58.370 58.370 59.484 -1.114 17717 9859 1 10 . 1 1 170 170 ARG CB C 170 28.900 28.900 30.084 -1.184 17717 9860 1 10 . 1 1 171 171 GLU N N 171 117.960 117.960 119.180 -1.220 17717 9861 1 10 . 1 1 171 171 GLU HA H 171 4.140 4.140 4.247 -0.107 17717 9862 1 10 . 1 1 171 171 GLU CA C 171 57.300 57.300 59.205 -1.905 17717 9863 1 10 . 1 1 171 171 GLU CB C 171 29.200 29.200 29.730 -0.530 17717 9864 1 10 . 1 1 171 171 GLU H H 171 7.730 7.730 8.220 -0.490 17717 9865 1 10 . 1 1 172 172 SER N N 172 116.366 116.366 116.811 -0.445 17717 9866 1 10 . 1 1 172 172 SER HA H 172 4.270 4.270 4.151 0.119 17717 9867 1 10 . 1 1 172 172 SER CA C 172 58.000 58.000 61.992 -3.992 17717 9868 1 10 . 1 1 172 172 SER CB C 172 63.000 63.000 63.020 -0.020 17717 9869 1 10 . 1 1 172 172 SER H H 172 8.320 8.320 8.341 -0.021 17717 9870 1 10 . 1 1 173 173 LEU N N 173 124.866 124.866 121.761 3.105 17717 9871 1 10 . 1 1 173 173 LEU HA H 173 4.352 4.352 4.114 0.238 17717 9872 1 10 . 1 1 173 173 LEU CA C 173 54.540 54.540 57.361 -2.821 17717 9873 1 10 . 1 1 173 173 LEU CB C 173 41.400 41.400 41.397 0.003 17717 9874 1 10 . 1 1 173 173 LEU H H 173 8.260 8.260 7.929 0.331 17717 9875 1 10 . 1 1 174 174 ALA N N 174 126.460 126.460 121.584 4.876 17717 9876 1 10 . 1 1 174 174 ALA HA H 174 4.270 4.270 3.726 0.544 17717 9877 1 10 . 1 1 174 174 ALA CA C 174 55.400 55.400 54.909 0.491 17717 9878 1 10 . 1 1 174 174 ALA CB C 174 17.200 17.200 17.902 -0.702 17717 9879 1 10 . 1 1 174 174 ALA H H 174 8.210 8.210 7.504 0.706 17717 9880 1 10 . 1 1 175 175 GLN N N 175 117.430 117.430 117.974 -0.544 17717 9881 1 10 . 1 1 175 175 GLN HA H 175 4.060 4.060 3.994 0.066 17717 9882 1 10 . 1 1 175 175 GLN CA C 175 58.600 58.600 58.500 0.100 17717 9883 1 10 . 1 1 175 175 GLN CB C 175 27.400 27.400 28.694 -1.294 17717 9884 1 10 . 1 1 175 175 GLN H H 175 8.450 8.450 7.738 0.712 17717 9885 1 10 . 1 1 176 176 ARG N N 176 119.550 119.550 121.007 -1.457 17717 9886 1 10 . 1 1 176 176 ARG HA H 176 4.180 4.180 3.982 0.198 17717 9887 1 10 . 1 1 176 176 ARG CA C 176 56.900 56.900 59.206 -2.307 17717 9888 1 10 . 1 1 176 176 ARG CB C 176 29.300 29.300 30.073 -0.773 17717 9889 1 10 . 1 1 176 176 ARG H H 176 8.070 8.070 7.827 0.243 17717 9890 1 10 . 1 1 177 177 LEU N N 177 115.840 115.840 116.767 -0.927 17717 9891 1 10 . 1 1 177 177 LEU HA H 177 4.180 4.180 3.910 0.270 17717 9892 1 10 . 1 1 177 177 LEU CA C 177 56.900 56.900 57.988 -1.088 17717 9893 1 10 . 1 1 177 177 LEU CB C 177 40.100 40.100 40.693 -0.593 17717 9894 1 10 . 1 1 177 177 LEU H H 177 8.330 8.330 7.636 0.694 17717 9895 1 10 . 1 1 178 178 ALA N N 178 121.220 121.220 120.774 0.446 17717 9896 1 10 . 1 1 178 178 ALA HA H 178 3.880 3.880 3.947 -0.067 17717 9897 1 10 . 1 1 178 178 ALA CA C 178 54.600 54.600 54.736 -0.136 17717 9898 1 10 . 1 1 178 178 ALA CB C 178 16.900 16.900 17.991 -1.091 17717 9899 1 10 . 1 1 178 178 ALA H H 178 8.570 8.570 7.623 0.947 17717 9900 1 10 . 1 1 179 179 GLU N N 179 118.490 118.490 120.572 -2.082 17717 9901 1 10 . 1 1 179 179 GLU HA H 179 4.180 4.180 4.044 0.136 17717 9902 1 10 . 1 1 179 179 GLU CA C 179 56.600 56.600 59.151 -2.551 17717 9903 1 10 . 1 1 179 179 GLU CB C 179 29.000 29.000 29.603 -0.603 17717 9904 1 10 . 1 1 179 179 GLU H H 179 7.680 7.680 7.846 -0.166 17717 9905 1 10 . 1 1 180 180 LEU N N 180 117.730 117.730 118.657 -0.927 17717 9906 1 10 . 1 1 180 180 LEU HA H 180 4.265 4.265 3.936 0.329 17717 9907 1 10 . 1 1 180 180 LEU CA C 180 55.020 55.020 57.091 -2.071 17717 9908 1 10 . 1 1 180 180 LEU CB C 180 41.100 41.100 41.496 -0.396 17717 9909 1 10 . 1 1 180 180 LEU H H 180 7.680 7.680 7.399 0.281 17717 9910 1 10 . 1 1 181 181 LYS N N 181 117.400 117.400 118.361 -0.961 17717 9911 1 10 . 1 1 181 181 LYS HA H 181 4.480 4.480 3.908 0.572 17717 9912 1 10 . 1 1 181 181 LYS CA C 181 61.900 61.900 58.674 3.226 17717 9913 1 10 . 1 1 181 181 LYS CB C 181 31.800 31.800 32.559 -0.759 17717 9914 1 10 . 1 1 181 181 LYS H H 181 7.510 7.510 7.866 -0.356 17717 9915 1 10 . 1 1 182 182 SER N N 182 114.010 114.010 114.577 -0.567 17717 9916 1 10 . 1 1 182 182 SER HA H 182 4.350 4.350 4.250 0.100 17717 9917 1 10 . 1 1 182 182 SER CA C 182 58.000 58.000 59.639 -1.639 17717 9918 1 10 . 1 1 182 182 SER CB C 182 63.300 63.300 64.382 -1.082 17717 9919 1 10 . 1 1 182 182 SER H H 182 7.920 7.920 8.021 -0.101 17717 9920 1 10 . 1 1 183 183 ASN N N 183 123.040 123.040 117.431 5.609 17717 9921 1 10 . 1 1 183 183 ASN HA H 183 4.310 4.310 4.807 -0.497 17717 9922 1 10 . 1 1 183 183 ASN CA C 183 55.115 55.115 52.707 2.408 17717 9923 1 10 . 1 1 183 183 ASN CB C 183 37.838 37.838 40.081 -2.243 17717 9924 1 10 . 1 1 183 183 ASN H H 183 8.250 8.250 7.705 0.545 17717 9925 1 10 . 1 1 184 184 PRO CA C 184 63.180 63.180 63.028 0.152 17717 9926 1 10 . 1 1 184 184 PRO CB C 184 31.400 31.400 31.481 -0.081 17717 9927 1 10 . 1 1 185 185 THR N N 185 114.240 114.240 120.557 -6.317 17717 9928 1 10 . 1 1 185 185 THR HA H 185 4.270 4.270 3.982 0.288 17717 9929 1 10 . 1 1 185 185 THR CA C 185 61.200 61.200 65.377 -4.177 17717 9930 1 10 . 1 1 185 185 THR CB C 185 69.100 69.100 69.108 -0.007 17717 9931 1 10 . 1 1 185 185 THR H H 185 8.150 8.150 8.332 -0.182 17717 9932 1 10 . 1 1 186 186 LEU N N 186 123.270 123.270 116.623 6.647 17717 9933 1 10 . 1 1 186 186 LEU HA H 186 4.350 4.350 4.202 0.148 17717 9934 1 10 . 1 1 186 186 LEU CA C 186 55.000 55.000 55.816 -0.816 17717 9935 1 10 . 1 1 186 186 LEU CB C 186 41.000 41.000 41.662 -0.662 17717 9936 1 10 . 1 1 186 186 LEU H H 186 8.430 8.430 7.982 0.448 17717 9937 1 10 . 1 1 187 187 ASN N N 187 119.020 119.020 117.092 1.928 17717 9938 1 10 . 1 1 187 187 ASN HA H 187 4.530 4.530 3.697 0.833 17717 9939 1 10 . 1 1 187 187 ASN CA C 187 53.400 53.400 53.443 -0.043 17717 9940 1 10 . 1 1 187 187 ASN CB C 187 37.900 37.900 37.437 0.463 17717 9941 1 10 . 1 1 187 187 ASN H H 187 8.370 8.370 8.208 0.162 17717 9942 1 10 . 1 1 188 188 GLU N N 188 123.270 123.270 118.360 4.910 17717 9943 1 10 . 1 1 188 188 GLU HA H 188 4.000 4.000 3.884 0.116 17717 9944 1 10 . 1 1 188 188 GLU CA C 188 61.700 61.700 59.374 2.326 17717 9945 1 10 . 1 1 188 188 GLU CB C 188 32.100 32.100 30.314 1.786 17717 9946 1 10 . 1 1 188 188 GLU H H 188 7.870 7.870 8.802 -0.932 17717 9947 1 10 . 1 1 189 189 TYR N N 189 122.210 122.210 114.407 7.803 17717 9948 1 10 . 1 1 189 189 TYR HA H 189 4.440 4.440 4.606 -0.166 17717 9949 1 10 . 1 1 189 189 TYR CA C 189 57.120 57.120 57.427 -0.307 17717 9950 1 10 . 1 1 189 189 TYR CB C 189 40.000 40.000 37.383 2.617 17717 9951 1 10 . 1 1 189 189 TYR H H 189 8.590 8.590 7.988 0.602 17717 9952 1 10 . 1 1 190 190 HIS N N 190 124.866 124.866 118.091 6.775 17717 9953 1 10 . 1 1 190 190 HIS HA H 190 4.780 4.780 4.339 0.441 17717 9954 1 10 . 1 1 190 190 HIS CA C 190 56.000 56.000 58.345 -2.345 17717 9955 1 10 . 1 1 190 190 HIS CB C 190 29.400 29.400 30.209 -0.809 17717 9956 1 10 . 1 1 190 190 HIS H H 190 8.420 8.420 8.557 -0.137 17717 9957 1 10 . 1 1 191 191 SER N N 191 117.429 117.429 113.065 4.364 17717 9958 1 10 . 1 1 191 191 SER HA H 191 4.140 4.140 4.786 -0.646 17717 9959 1 10 . 1 1 191 191 SER CA C 191 58.140 58.140 57.992 0.148 17717 9960 1 10 . 1 1 191 191 SER CB C 191 63.140 63.140 62.438 0.702 17717 9961 1 10 . 1 1 191 191 SER H H 191 8.270 8.270 8.227 0.043 17717 9962 1 10 . 1 1 192 192 SER N N 192 124.335 124.335 121.455 2.880 17717 9963 1 10 . 1 1 192 192 SER HA H 192 4.730 4.730 4.190 0.540 17717 9964 1 10 . 1 1 192 192 SER CA C 192 59.020 59.020 60.329 -1.309 17717 9965 1 10 . 1 1 192 192 SER CB C 192 63.000 63.000 63.619 -0.619 17717 9966 1 10 . 1 1 192 192 SER H H 192 8.010 8.010 8.057 -0.047 17717 9967 1 10 . 1 1 193 193 ALA N N 193 125.930 125.930 120.635 5.295 17717 9968 1 10 . 1 1 193 193 ALA HA H 193 4.310 4.310 4.397 -0.087 17717 9969 1 10 . 1 1 193 193 ALA CA C 193 52.300 52.300 52.286 0.014 17717 9970 1 10 . 1 1 193 193 ALA CB C 193 18.000 18.000 18.977 -0.978 17717 9971 1 10 . 1 1 193 193 ALA H H 193 8.100 8.100 8.289 -0.189 17717 9972 1 10 . 1 1 194 194 LYS N N 194 126.460 126.460 119.722 6.738 17717 9973 1 10 . 1 1 194 194 LYS HA H 194 4.220 4.220 4.464 -0.244 17717 9974 1 10 . 1 1 194 194 LYS CA C 194 56.600 56.600 56.411 0.189 17717 9975 1 10 . 1 1 194 194 LYS CB C 194 33.000 33.000 35.400 -2.400 17717 9976 1 10 . 1 1 194 194 LYS H H 194 7.860 7.860 7.606 0.254 17717 9977 1 10 . 1 1 195 195 SER N N 195 117.429 117.429 115.258 2.171 17717 9978 1 10 . 1 1 195 195 SER HA H 195 4.430 4.430 4.246 0.184 17717 9979 1 10 . 1 1 195 195 SER CA C 195 58.499 58.499 59.201 -0.702 17717 9980 1 10 . 1 1 195 195 SER CB C 195 63.129 63.129 62.069 1.060 17717 9981 1 10 . 1 1 195 195 SER H H 195 8.240 8.240 8.873 -0.633 17717 9982 1 10 . 1 1 196 196 HIS N N 196 122.440 122.440 117.681 4.759 17717 9983 1 10 . 1 1 196 196 HIS HA H 196 4.222 4.222 4.257 -0.035 17717 9984 1 10 . 1 1 196 196 HIS CA C 196 55.743 55.743 58.320 -2.577 17717 9985 1 10 . 1 1 196 196 HIS CB C 196 28.566 28.566 29.731 -1.165 17717 9986 1 10 . 1 1 196 196 HIS H H 196 8.044 8.044 8.758 -0.714 17717 9987 1 10 . 1 1 197 197 LEU N N 197 117.429 117.429 119.409 -1.980 17717 9988 1 10 . 1 1 197 197 LEU HA H 197 4.179 4.179 3.908 0.271 17717 9989 1 10 . 1 1 197 197 LEU CA C 197 54.540 54.540 57.597 -3.057 17717 9990 1 10 . 1 1 197 197 LEU CB C 197 40.040 40.040 41.587 -1.547 17717 9991 1 10 . 1 1 197 197 LEU H H 197 8.044 8.044 7.985 0.059 17717 9992 1 10 . 1 1 198 198 LYS N N 198 117.430 117.430 119.343 -1.913 17717 9993 1 10 . 1 1 198 198 LYS HA H 198 4.140 4.140 3.957 0.183 17717 9994 1 10 . 1 1 198 198 LYS CA C 198 57.600 57.600 59.645 -2.045 17717 9995 1 10 . 1 1 198 198 LYS CB C 198 32.000 32.000 31.730 0.270 17717 9996 1 10 . 1 1 198 198 LYS H H 198 7.510 7.510 7.465 0.045 17717 9997 1 10 . 1 1 199 199 SER N N 199 114.315 114.315 115.617 -1.302 17717 9998 1 10 . 1 1 199 199 SER HA H 199 4.310 4.310 4.136 0.174 17717 9999 1 10 . 1 1 199 199 SER CA C 199 62.000 62.000 61.749 0.251 17717 10000 1 10 . 1 1 199 199 SER CB C 199 63.600 63.600 63.132 0.468 17717 10001 1 10 . 1 1 199 199 SER H H 199 7.930 7.930 8.323 -0.393 17717 10002 1 10 . 1 1 200 200 LEU N N 200 124.335 124.335 122.469 1.866 17717 10003 1 10 . 1 1 200 200 LEU HA H 200 4.260 4.260 4.265 -0.005 17717 10004 1 10 . 1 1 200 200 LEU CA C 200 55.200 55.200 57.510 -2.310 17717 10005 1 10 . 1 1 200 200 LEU CB C 200 41.200 41.200 41.819 -0.619 17717 10006 1 10 . 1 1 200 200 LEU H H 200 8.170 8.170 7.418 0.752 17717 10007 1 10 . 1 1 201 201 GLY N N 201 109.990 109.990 106.270 3.720 17717 10008 1 10 . 1 1 201 201 GLY CA C 201 44.700 44.700 46.852 -2.152 17717 10009 1 10 . 1 1 201 201 GLY H H 201 8.290 8.290 7.978 0.312 17717 10010 1 10 . 1 1 202 202 GLU N N 202 126.460 126.460 119.630 6.830 17717 10011 1 10 . 1 1 202 202 GLU HA H 202 4.220 4.220 4.191 0.029 17717 10012 1 10 . 1 1 202 202 GLU CA C 202 56.600 56.600 58.437 -1.837 17717 10013 1 10 . 1 1 202 202 GLU CB C 202 32.800 32.800 29.741 3.058 17717 10014 1 10 . 1 1 202 202 GLU H H 202 7.750 7.750 7.848 -0.098 17717 10015 1 10 . 1 1 203 203 LYS CA C 203 55.775 55.775 54.794 0.981 17717 10016 1 10 . 1 1 203 203 LYS CB C 203 32.283 32.283 32.885 -0.602 17717 10017 1 10 . 1 1 204 204 ALA N N 204 125.390 125.390 120.670 4.720 17717 10018 1 10 . 1 1 204 204 ALA HA H 204 4.310 4.310 4.585 -0.275 17717 10019 1 10 . 1 1 204 204 ALA CA C 204 52.000 52.000 50.718 1.282 17717 10020 1 10 . 1 1 204 204 ALA CB C 204 18.400 18.400 21.117 -2.717 17717 10021 1 10 . 1 1 204 204 ALA H H 204 8.180 8.180 7.210 0.970 17717 10022 1 10 . 1 1 205 205 ARG N N 205 121.150 121.150 119.200 1.950 17717 10023 1 10 . 1 1 205 205 ARG HA H 205 4.270 4.270 4.317 -0.047 17717 10024 1 10 . 1 1 205 205 ARG CA C 205 56.384 56.384 55.515 0.869 17717 10025 1 10 . 1 1 205 205 ARG CB C 205 29.193 29.193 29.276 -0.083 17717 10026 1 10 . 1 1 205 205 ARG H H 205 8.350 8.350 8.660 -0.310 17717 10027 1 10 . 1 1 206 206 PRO CA C 206 62.600 62.600 64.924 -2.325 17717 10028 1 10 . 1 1 206 206 PRO CB C 206 31.400 31.400 31.891 -0.491 17717 10029 1 10 . 1 1 207 207 ALA N N 207 125.400 125.400 118.328 7.072 17717 10030 1 10 . 1 1 207 207 ALA HA H 207 4.308 4.308 4.264 0.044 17717 10031 1 10 . 1 1 207 207 ALA CA C 207 51.700 51.700 53.763 -2.063 17717 10032 1 10 . 1 1 207 207 ALA CB C 207 18.200 18.200 18.548 -0.348 17717 10033 1 10 . 1 1 207 207 ALA H H 207 8.400 8.400 7.909 0.491 17717 10034 1 10 . 1 1 208 208 LEU N N 208 121.680 121.680 119.095 2.585 17717 10035 1 10 . 1 1 208 208 LEU HA H 208 4.480 4.480 4.248 0.232 17717 10036 1 10 . 1 1 208 208 LEU CA C 208 55.100 55.100 55.922 -0.822 17717 10037 1 10 . 1 1 208 208 LEU CB C 208 41.200 41.200 42.367 -1.167 17717 10038 1 10 . 1 1 208 208 LEU H H 208 8.180 8.180 7.526 0.654 17717 10039 1 10 . 1 1 209 209 GLU N N 209 121.147 121.147 120.607 0.540 17717 10040 1 10 . 1 1 209 209 GLU HA H 209 4.180 4.180 3.874 0.306 17717 10041 1 10 . 1 1 209 209 GLU CA C 209 56.477 56.477 60.009 -3.532 17717 10042 1 10 . 1 1 209 209 GLU CB C 209 29.250 29.250 28.953 0.297 17717 10043 1 10 . 1 1 209 209 GLU H H 209 8.380 8.380 8.345 0.035 17717 10044 1 10 . 1 1 210 210 ASP N N 210 121.147 121.147 118.768 2.379 17717 10045 1 10 . 1 1 210 210 ASP HA H 210 4.260 4.260 4.487 -0.227 17717 10046 1 10 . 1 1 210 210 ASP CA C 210 55.000 55.000 57.154 -2.154 17717 10047 1 10 . 1 1 210 210 ASP CB C 210 37.200 37.200 40.778 -3.578 17717 10048 1 10 . 1 1 210 210 ASP H H 210 8.280 8.280 8.321 -0.041 17717 10049 1 10 . 1 1 211 211 LEU N N 211 122.210 122.210 119.380 2.830 17717 10050 1 10 . 1 1 211 211 LEU HA H 211 4.220 4.220 4.376 -0.156 17717 10051 1 10 . 1 1 211 211 LEU CA C 211 57.400 57.400 56.676 0.724 17717 10052 1 10 . 1 1 211 211 LEU CB C 211 39.430 39.430 41.732 -2.302 17717 10053 1 10 . 1 1 211 211 LEU H H 211 8.640 8.640 7.526 1.114 17717 10054 1 10 . 1 1 212 212 ARG N N 212 119.550 119.550 118.058 1.492 17717 10055 1 10 . 1 1 212 212 ARG HA H 212 4.220 4.220 3.894 0.326 17717 10056 1 10 . 1 1 212 212 ARG CA C 212 57.400 57.400 58.891 -1.491 17717 10057 1 10 . 1 1 212 212 ARG CB C 212 29.600 29.600 30.369 -0.769 17717 10058 1 10 . 1 1 212 212 ARG H H 212 7.910 7.910 8.131 -0.221 17717 10059 1 10 . 1 1 213 213 HIS CA C 213 56.200 56.200 58.328 -2.128 17717 10060 1 10 . 1 1 213 213 HIS CB C 213 31.900 31.900 30.777 1.123 17717 10061 1 10 . 1 1 214 214 SER N N 214 116.366 116.366 115.437 0.929 17717 10062 1 10 . 1 1 214 214 SER HA H 214 4.265 4.265 4.565 -0.300 17717 10063 1 10 . 1 1 214 214 SER CA C 214 61.100 61.100 58.006 3.094 17717 10064 1 10 . 1 1 214 214 SER CB C 214 63.100 63.100 63.222 -0.122 17717 10065 1 10 . 1 1 214 214 SER H H 214 8.140 8.140 7.722 0.418 17717 10066 1 10 . 1 1 215 215 LEU N N 215 130.565 130.565 127.973 2.592 17717 10067 1 10 . 1 1 215 215 LEU HA H 215 4.730 4.730 4.710 0.020 17717 10068 1 10 . 1 1 215 215 LEU CA C 215 54.900 54.900 53.893 1.007 17717 10069 1 10 . 1 1 215 215 LEU CB C 215 42.000 42.000 45.088 -3.088 17717 10070 1 10 . 1 1 215 215 LEU H H 215 7.890 7.890 8.467 -0.577 17717 10071 1 11 . 1 1 2 2 GLU N N 2 121.678 121.678 121.187 0.491 17717 10072 1 11 . 1 1 2 2 GLU HA H 2 4.488 4.488 4.567 -0.079 17717 10073 1 11 . 1 1 2 2 GLU CA C 2 56.418 56.418 55.026 1.392 17717 10074 1 11 . 1 1 2 2 GLU CB C 2 29.014 29.014 30.413 -1.399 17717 10075 1 11 . 1 1 2 2 GLU H H 2 8.276 8.276 8.024 0.252 17717 10076 1 11 . 1 1 3 3 PRO CA C 3 62.923 62.923 63.503 -0.580 17717 10077 1 11 . 1 1 3 3 PRO CB C 3 31.547 31.547 30.918 0.629 17717 10078 1 11 . 1 1 4 4 GLN N N 4 121.147 121.147 122.669 -1.522 17717 10079 1 11 . 1 1 4 4 GLN HA H 4 4.349 4.349 4.556 -0.207 17717 10080 1 11 . 1 1 4 4 GLN CA C 4 55.450 55.450 55.141 0.309 17717 10081 1 11 . 1 1 4 4 GLN CB C 4 28.854 28.854 32.380 -3.526 17717 10082 1 11 . 1 1 4 4 GLN H H 4 8.500 8.500 8.294 0.206 17717 10083 1 11 . 1 1 5 5 SER N N 5 117.429 117.429 113.984 3.445 17717 10084 1 11 . 1 1 5 5 SER HA H 5 4.329 4.329 3.260 1.069 17717 10085 1 11 . 1 1 5 5 SER CA C 5 58.100 58.100 57.872 0.228 17717 10086 1 11 . 1 1 5 5 SER CB C 5 63.485 63.485 64.034 -0.549 17717 10087 1 11 . 1 1 5 5 SER H H 5 8.370 8.370 8.407 -0.037 17717 10088 1 11 . 1 1 6 6 GLN N N 6 123.803 123.803 120.281 3.522 17717 10089 1 11 . 1 1 6 6 GLN CA C 6 56.330 56.330 59.375 -3.045 17717 10090 1 11 . 1 1 6 6 GLN CB C 6 28.800 28.800 28.800 -0.000 17717 10091 1 11 . 1 1 6 6 GLN H H 6 8.620 8.620 8.309 0.311 17717 10092 1 11 . 1 1 7 7 TRP N N 7 119.022 119.022 117.603 1.419 17717 10093 1 11 . 1 1 7 7 TRP HA H 7 4.394 4.394 4.445 -0.051 17717 10094 1 11 . 1 1 7 7 TRP CA C 7 59.800 59.800 59.192 0.608 17717 10095 1 11 . 1 1 7 7 TRP CB C 7 27.800 27.800 27.931 -0.131 17717 10096 1 11 . 1 1 7 7 TRP H H 7 7.970 7.970 8.214 -0.244 17717 10097 1 11 . 1 1 8 8 ASP N N 8 121.678 121.678 120.188 1.490 17717 10098 1 11 . 1 1 8 8 ASP HA H 8 4.409 4.409 4.351 0.058 17717 10099 1 11 . 1 1 8 8 ASP CA C 8 56.912 56.912 57.275 -0.363 17717 10100 1 11 . 1 1 8 8 ASP CB C 8 38.400 38.400 40.217 -1.817 17717 10101 1 11 . 1 1 8 8 ASP H H 8 8.440 8.440 6.885 1.555 17717 10102 1 11 . 1 1 9 9 LYS N N 9 120.616 120.616 120.813 -0.197 17717 10103 1 11 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.152 -0.062 17717 10104 1 11 . 1 1 9 9 LYS CA C 9 58.277 58.277 58.609 -0.332 17717 10105 1 11 . 1 1 9 9 LYS CB C 9 31.550 31.550 32.158 -0.608 17717 10106 1 11 . 1 1 9 9 LYS H H 9 7.830 7.830 7.199 0.631 17717 10107 1 11 . 1 1 10 10 VAL N N 10 118.491 118.491 115.956 2.535 17717 10108 1 11 . 1 1 10 10 VAL HA H 10 3.830 3.830 4.187 -0.357 17717 10109 1 11 . 1 1 10 10 VAL CA C 10 65.630 65.630 66.816 -1.186 17717 10110 1 11 . 1 1 10 10 VAL CB C 10 31.300 31.300 31.189 0.111 17717 10111 1 11 . 1 1 10 10 VAL H H 10 7.160 7.160 8.283 -1.123 17717 10112 1 11 . 1 1 11 11 LYS N N 11 122.210 122.210 119.130 3.080 17717 10113 1 11 . 1 1 11 11 LYS HA H 11 3.880 3.880 3.884 -0.003 17717 10114 1 11 . 1 1 11 11 LYS CA C 11 59.460 59.460 59.459 0.001 17717 10115 1 11 . 1 1 11 11 LYS CB C 11 31.200 31.200 32.029 -0.829 17717 10116 1 11 . 1 1 11 11 LYS H H 11 8.660 8.660 7.754 0.906 17717 10117 1 11 . 1 1 12 12 ASP N N 12 119.553 119.553 120.751 -1.198 17717 10118 1 11 . 1 1 12 12 ASP HA H 12 4.140 4.140 4.541 -0.401 17717 10119 1 11 . 1 1 12 12 ASP CA C 12 57.381 57.381 56.904 0.477 17717 10120 1 11 . 1 1 12 12 ASP CB C 12 39.800 39.800 40.768 -0.968 17717 10121 1 11 . 1 1 12 12 ASP H H 12 7.790 7.790 7.929 -0.139 17717 10122 1 11 . 1 1 13 13 PHE N N 13 116.500 116.500 118.976 -2.476 17717 10123 1 11 . 1 1 13 13 PHE HA H 13 4.690 4.690 4.362 0.328 17717 10124 1 11 . 1 1 13 13 PHE CA C 13 58.662 58.662 60.275 -1.613 17717 10125 1 11 . 1 1 13 13 PHE CB C 13 38.700 38.700 38.002 0.699 17717 10126 1 11 . 1 1 13 13 PHE H H 13 7.680 7.680 7.706 -0.026 17717 10127 1 11 . 1 1 14 14 ALA N N 14 122.209 122.209 122.618 -0.409 17717 10128 1 11 . 1 1 14 14 ALA HA H 14 4.008 4.008 3.765 0.243 17717 10129 1 11 . 1 1 14 14 ALA CA C 14 54.550 54.550 54.799 -0.249 17717 10130 1 11 . 1 1 14 14 ALA CB C 14 17.250 17.250 18.047 -0.797 17717 10131 1 11 . 1 1 14 14 ALA H H 14 8.760 8.760 7.491 1.269 17717 10132 1 11 . 1 1 15 15 ASN N N 15 119.553 119.553 115.102 4.451 17717 10133 1 11 . 1 1 15 15 ASN HA H 15 4.520 4.520 4.371 0.149 17717 10134 1 11 . 1 1 15 15 ASN CA C 15 56.084 56.084 55.254 0.830 17717 10135 1 11 . 1 1 15 15 ASN CB C 15 38.544 38.544 38.412 0.132 17717 10136 1 11 . 1 1 15 15 ASN H H 15 8.930 8.930 7.591 1.339 17717 10137 1 11 . 1 1 16 16 VAL N N 16 116.897 116.897 121.976 -5.079 17717 10138 1 11 . 1 1 16 16 VAL HA H 16 3.590 3.590 3.679 -0.089 17717 10139 1 11 . 1 1 16 16 VAL CA C 16 64.600 64.600 67.799 -3.199 17717 10140 1 11 . 1 1 16 16 VAL CB C 16 31.800 31.800 31.723 0.077 17717 10141 1 11 . 1 1 16 16 VAL H H 16 7.870 7.870 7.481 0.389 17717 10142 1 11 . 1 1 17 17 TYR N N 17 112.116 112.116 117.270 -5.154 17717 10143 1 11 . 1 1 17 17 TYR HA H 17 4.751 4.751 4.430 0.321 17717 10144 1 11 . 1 1 17 17 TYR CA C 17 59.040 59.040 60.681 -1.641 17717 10145 1 11 . 1 1 17 17 TYR CB C 17 39.060 39.060 37.221 1.839 17717 10146 1 11 . 1 1 17 17 TYR H H 17 8.000 8.000 8.206 -0.206 17717 10147 1 11 . 1 1 18 18 VAL N N 18 114.241 114.241 120.374 -6.133 17717 10148 1 11 . 1 1 18 18 VAL HA H 18 4.220 4.220 3.317 0.903 17717 10149 1 11 . 1 1 18 18 VAL CA C 18 63.520 63.520 66.331 -2.811 17717 10150 1 11 . 1 1 18 18 VAL CB C 18 31.128 31.128 31.281 -0.153 17717 10151 1 11 . 1 1 18 18 VAL H H 18 7.600 7.600 6.857 0.743 17717 10152 1 11 . 1 1 19 19 ASP N N 19 123.272 123.272 120.133 3.139 17717 10153 1 11 . 1 1 19 19 ASP HA H 19 4.523 4.523 4.270 0.253 17717 10154 1 11 . 1 1 19 19 ASP CA C 19 56.445 56.445 57.727 -1.282 17717 10155 1 11 . 1 1 19 19 ASP CB C 19 38.700 38.700 40.888 -2.188 17717 10156 1 11 . 1 1 19 19 ASP H H 19 8.890 8.890 8.195 0.695 17717 10157 1 11 . 1 1 20 20 ALA N N 20 118.491 118.491 122.749 -4.258 17717 10158 1 11 . 1 1 20 20 ALA HA H 20 4.230 4.230 4.297 -0.067 17717 10159 1 11 . 1 1 20 20 ALA CA C 20 54.100 54.100 55.343 -1.242 17717 10160 1 11 . 1 1 20 20 ALA CB C 20 18.760 18.760 19.032 -0.272 17717 10161 1 11 . 1 1 20 20 ALA H H 20 6.630 6.630 7.567 -0.937 17717 10162 1 11 . 1 1 21 21 VAL N N 21 116.897 116.897 116.667 0.230 17717 10163 1 11 . 1 1 21 21 VAL HA H 21 3.664 3.664 3.342 0.322 17717 10164 1 11 . 1 1 21 21 VAL CA C 21 66.200 66.200 65.454 0.746 17717 10165 1 11 . 1 1 21 21 VAL CB C 21 30.460 30.460 31.265 -0.805 17717 10166 1 11 . 1 1 21 21 VAL H H 21 7.410 7.410 7.679 -0.269 17717 10167 1 11 . 1 1 22 22 LYS N N 22 121.147 121.147 120.261 0.886 17717 10168 1 11 . 1 1 22 22 LYS HA H 22 4.222 4.222 3.958 0.264 17717 10169 1 11 . 1 1 22 22 LYS CA C 22 59.300 59.300 59.221 0.079 17717 10170 1 11 . 1 1 22 22 LYS CB C 22 31.100 31.100 31.909 -0.809 17717 10171 1 11 . 1 1 22 22 LYS H H 22 8.180 8.180 8.174 0.006 17717 10172 1 11 . 1 1 23 23 ASP N N 23 121.278 121.278 118.946 2.332 17717 10173 1 11 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.503 0.063 17717 10174 1 11 . 1 1 23 23 ASP CA C 23 56.300 56.300 56.922 -0.622 17717 10175 1 11 . 1 1 23 23 ASP CB C 23 38.800 38.800 40.687 -1.887 17717 10176 1 11 . 1 1 23 23 ASP H H 23 8.860 8.860 7.888 0.972 17717 10177 1 11 . 1 1 24 24 SER N N 24 118.491 118.491 114.841 3.650 17717 10178 1 11 . 1 1 24 24 SER HA H 24 4.132 4.132 3.898 0.234 17717 10179 1 11 . 1 1 24 24 SER CA C 24 61.600 61.600 60.622 0.978 17717 10180 1 11 . 1 1 24 24 SER CB C 24 62.442 62.442 62.158 0.284 17717 10181 1 11 . 1 1 24 24 SER H H 24 7.950 7.950 8.127 -0.177 17717 10182 1 11 . 1 1 25 25 GLY N N 25 108.377 108.377 110.889 -2.512 17717 10183 1 11 . 1 1 25 25 GLY CA C 25 44.400 44.400 46.675 -2.275 17717 10184 1 11 . 1 1 25 25 GLY H H 25 7.560 7.560 7.706 -0.146 17717 10185 1 11 . 1 1 26 26 ARG N N 26 124.240 124.240 121.586 2.654 17717 10186 1 11 . 1 1 26 26 ARG HA H 26 4.303 4.303 4.147 0.156 17717 10187 1 11 . 1 1 26 26 ARG CA C 26 54.000 54.000 58.536 -4.536 17717 10188 1 11 . 1 1 26 26 ARG CB C 26 28.240 28.240 29.870 -1.630 17717 10189 1 11 . 1 1 26 26 ARG H H 26 8.200 8.200 7.707 0.493 17717 10190 1 11 . 1 1 27 27 ASP N N 27 121.678 121.678 118.923 2.755 17717 10191 1 11 . 1 1 27 27 ASP HA H 27 4.211 4.211 4.546 -0.335 17717 10192 1 11 . 1 1 27 27 ASP CA C 27 58.380 58.380 56.901 1.479 17717 10193 1 11 . 1 1 27 27 ASP CB C 27 40.400 40.400 41.530 -1.130 17717 10194 1 11 . 1 1 27 27 ASP H H 27 7.880 7.880 7.693 0.187 17717 10195 1 11 . 1 1 28 28 TYR N N 28 121.440 121.440 122.286 -0.846 17717 10196 1 11 . 1 1 28 28 TYR HA H 28 4.480 4.480 4.825 -0.345 17717 10197 1 11 . 1 1 28 28 TYR CA C 28 57.800 57.800 60.170 -2.370 17717 10198 1 11 . 1 1 28 28 TYR CB C 28 38.322 38.322 38.820 -0.498 17717 10199 1 11 . 1 1 28 28 TYR H H 28 8.020 8.020 8.278 -0.258 17717 10200 1 11 . 1 1 29 29 VAL N N 29 123.272 123.272 118.580 4.692 17717 10201 1 11 . 1 1 29 29 VAL HA H 29 4.040 4.040 3.566 0.474 17717 10202 1 11 . 1 1 29 29 VAL CA C 29 66.400 66.400 64.547 1.853 17717 10203 1 11 . 1 1 29 29 VAL CB C 29 30.500 30.500 31.072 -0.572 17717 10204 1 11 . 1 1 29 29 VAL H H 29 8.280 8.280 8.152 0.128 17717 10205 1 11 . 1 1 30 30 SER N N 30 117.429 117.429 116.543 0.886 17717 10206 1 11 . 1 1 30 30 SER HA H 30 4.000 4.000 4.032 -0.032 17717 10207 1 11 . 1 1 30 30 SER CA C 30 61.070 61.070 61.730 -0.660 17717 10208 1 11 . 1 1 30 30 SER CB C 30 62.000 62.000 62.862 -0.862 17717 10209 1 11 . 1 1 30 30 SER H H 30 8.930 8.930 7.581 1.349 17717 10210 1 11 . 1 1 31 31 GLN N N 31 121.147 121.147 121.263 -0.116 17717 10211 1 11 . 1 1 31 31 GLN HA H 31 4.136 4.136 4.046 0.090 17717 10212 1 11 . 1 1 31 31 GLN CA C 31 58.210 58.210 58.673 -0.463 17717 10213 1 11 . 1 1 31 31 GLN CB C 31 27.600 27.600 28.508 -0.908 17717 10214 1 11 . 1 1 31 31 GLN H H 31 7.740 7.740 7.466 0.274 17717 10215 1 11 . 1 1 32 32 PHE N N 32 117.429 117.429 119.538 -2.109 17717 10216 1 11 . 1 1 32 32 PHE HA H 32 4.020 4.020 4.000 0.020 17717 10217 1 11 . 1 1 32 32 PHE CA C 32 60.600 60.600 60.961 -0.361 17717 10218 1 11 . 1 1 32 32 PHE CB C 32 36.896 36.896 38.634 -1.738 17717 10219 1 11 . 1 1 32 32 PHE H H 32 7.200 7.200 7.567 -0.367 17717 10220 1 11 . 1 1 33 33 GLU N N 33 122.210 122.210 118.592 3.618 17717 10221 1 11 . 1 1 33 33 GLU HA H 33 4.769 4.769 3.540 1.229 17717 10222 1 11 . 1 1 33 33 GLU CA C 33 59.220 59.220 58.767 0.452 17717 10223 1 11 . 1 1 33 33 GLU CB C 33 29.240 29.240 29.023 0.217 17717 10224 1 11 . 1 1 33 33 GLU H H 33 8.160 8.160 7.684 0.476 17717 10225 1 11 . 1 1 34 34 SER N N 34 109.991 109.991 113.862 -3.871 17717 10226 1 11 . 1 1 34 34 SER HA H 34 4.309 4.309 4.241 0.068 17717 10227 1 11 . 1 1 34 34 SER CA C 34 58.240 58.240 60.824 -2.584 17717 10228 1 11 . 1 1 34 34 SER CB C 34 63.260 63.260 62.869 0.391 17717 10229 1 11 . 1 1 34 34 SER H H 34 7.890 7.890 7.723 0.167 17717 10230 1 11 . 1 1 35 35 SER N N 35 120.085 120.085 118.007 2.078 17717 10231 1 11 . 1 1 35 35 SER HA H 35 4.354 4.354 4.140 0.214 17717 10232 1 11 . 1 1 35 35 SER CA C 35 58.100 58.100 61.590 -3.490 17717 10233 1 11 . 1 1 35 35 SER CB C 35 64.398 64.398 62.875 1.523 17717 10234 1 11 . 1 1 35 35 SER H H 35 7.420 7.420 8.036 -0.616 17717 10235 1 11 . 1 1 36 36 SER N N 36 116.130 116.130 118.772 -2.642 17717 10236 1 11 . 1 1 36 36 SER HA H 36 4.350 4.350 4.130 0.220 17717 10237 1 11 . 1 1 36 36 SER CA C 36 58.600 58.600 61.867 -3.267 17717 10238 1 11 . 1 1 36 36 SER CB C 36 63.370 63.370 62.762 0.608 17717 10239 1 11 . 1 1 36 36 SER H H 36 8.100 8.100 7.551 0.549 17717 10240 1 11 . 1 1 37 37 LEU N N 37 121.678 121.678 121.535 0.143 17717 10241 1 11 . 1 1 37 37 LEU HA H 37 4.222 4.222 4.101 0.121 17717 10242 1 11 . 1 1 37 37 LEU CA C 37 56.400 56.400 57.031 -0.631 17717 10243 1 11 . 1 1 37 37 LEU CB C 37 41.200 41.200 41.798 -0.598 17717 10244 1 11 . 1 1 37 37 LEU H H 37 8.290 8.290 7.434 0.856 17717 10245 1 11 . 1 1 38 38 GLY N N 38 108.400 108.400 104.768 3.632 17717 10246 1 11 . 1 1 38 38 GLY CA C 38 46.220 46.220 46.547 -0.327 17717 10247 1 11 . 1 1 38 38 GLY H H 38 7.280 7.280 8.052 -0.772 17717 10248 1 11 . 1 1 39 39 GLN N N 39 120.920 120.920 121.880 -0.960 17717 10249 1 11 . 1 1 39 39 GLN HA H 39 4.092 4.092 4.132 -0.040 17717 10250 1 11 . 1 1 39 39 GLN CA C 39 57.423 57.423 58.822 -1.399 17717 10251 1 11 . 1 1 39 39 GLN CB C 39 28.847 28.847 28.508 0.339 17717 10252 1 11 . 1 1 39 39 GLN H H 39 8.360 8.360 7.802 0.558 17717 10253 1 11 . 1 1 40 40 GLN N N 40 118.648 118.648 119.237 -0.589 17717 10254 1 11 . 1 1 40 40 GLN HA H 40 4.040 4.040 4.086 -0.046 17717 10255 1 11 . 1 1 40 40 GLN CA C 40 57.471 57.471 58.567 -1.096 17717 10256 1 11 . 1 1 40 40 GLN CB C 40 28.777 28.777 28.398 0.379 17717 10257 1 11 . 1 1 40 40 GLN H H 40 7.630 7.630 7.711 -0.081 17717 10258 1 11 . 1 1 41 41 LEU N N 41 116.800 116.800 121.837 -5.037 17717 10259 1 11 . 1 1 41 41 LEU HA H 41 4.222 4.222 3.999 0.223 17717 10260 1 11 . 1 1 41 41 LEU CA C 41 55.400 55.400 58.181 -2.781 17717 10261 1 11 . 1 1 41 41 LEU CB C 41 41.754 41.754 42.101 -0.347 17717 10262 1 11 . 1 1 41 41 LEU H H 41 8.010 8.010 7.888 0.122 17717 10263 1 11 . 1 1 42 42 ASN N N 42 115.840 115.840 117.332 -1.492 17717 10264 1 11 . 1 1 42 42 ASN HA H 42 4.485 4.485 4.413 0.072 17717 10265 1 11 . 1 1 42 42 ASN CA C 42 53.500 53.500 56.253 -2.753 17717 10266 1 11 . 1 1 42 42 ASN CB C 42 37.000 37.000 38.716 -1.716 17717 10267 1 11 . 1 1 42 42 ASN H H 42 7.840 7.840 7.675 0.165 17717 10268 1 11 . 1 1 43 43 LEU N N 43 118.490 118.490 121.191 -2.701 17717 10269 1 11 . 1 1 43 43 LEU HA H 43 4.480 4.480 4.338 0.142 17717 10270 1 11 . 1 1 43 43 LEU CA C 43 55.502 55.502 57.776 -2.273 17717 10271 1 11 . 1 1 43 43 LEU CB C 43 41.200 41.200 41.279 -0.079 17717 10272 1 11 . 1 1 43 43 LEU H H 43 9.670 9.670 8.076 1.594 17717 10273 1 11 . 1 1 44 44 ASN N N 44 119.553 119.553 117.315 2.238 17717 10274 1 11 . 1 1 44 44 ASN HA H 44 4.520 4.520 4.432 0.088 17717 10275 1 11 . 1 1 44 44 ASN CA C 44 52.770 52.770 56.712 -3.942 17717 10276 1 11 . 1 1 44 44 ASN CB C 44 36.200 36.200 38.545 -2.345 17717 10277 1 11 . 1 1 44 44 ASN H H 44 8.950 8.950 8.214 0.736 17717 10278 1 11 . 1 1 45 45 LEU N N 45 119.553 119.553 118.437 1.116 17717 10279 1 11 . 1 1 45 45 LEU HA H 45 4.048 4.048 4.256 -0.208 17717 10280 1 11 . 1 1 45 45 LEU CA C 45 55.569 55.569 57.674 -2.105 17717 10281 1 11 . 1 1 45 45 LEU CB C 45 41.250 41.250 41.557 -0.307 17717 10282 1 11 . 1 1 45 45 LEU H H 45 8.970 8.970 7.703 1.267 17717 10283 1 11 . 1 1 46 46 LEU N N 46 116.900 116.900 120.278 -3.378 17717 10284 1 11 . 1 1 46 46 LEU HA H 46 4.351 4.351 4.251 0.100 17717 10285 1 11 . 1 1 46 46 LEU CA C 46 54.684 54.684 57.911 -3.227 17717 10286 1 11 . 1 1 46 46 LEU CB C 46 39.800 39.800 42.155 -2.355 17717 10287 1 11 . 1 1 46 46 LEU H H 46 8.450 8.450 7.355 1.095 17717 10288 1 11 . 1 1 47 47 GLU N N 47 122.741 122.741 119.532 3.209 17717 10289 1 11 . 1 1 47 47 GLU HA H 47 4.018 4.018 3.962 0.056 17717 10290 1 11 . 1 1 47 47 GLU CA C 47 58.280 58.280 59.229 -0.949 17717 10291 1 11 . 1 1 47 47 GLU CB C 47 28.800 28.800 29.107 -0.307 17717 10292 1 11 . 1 1 47 47 GLU H H 47 7.490 7.490 8.199 -0.709 17717 10293 1 11 . 1 1 48 48 ASN N N 48 117.200 117.200 117.733 -0.533 17717 10294 1 11 . 1 1 48 48 ASN HA H 48 4.300 4.300 4.514 -0.214 17717 10295 1 11 . 1 1 48 48 ASN CA C 48 53.550 53.550 55.617 -2.067 17717 10296 1 11 . 1 1 48 48 ASN CB C 48 38.490 38.490 38.502 -0.012 17717 10297 1 11 . 1 1 48 48 ASN H H 48 8.450 8.450 8.394 0.056 17717 10298 1 11 . 1 1 49 49 TRP N N 49 119.320 119.320 119.869 -0.549 17717 10299 1 11 . 1 1 49 49 TRP HA H 49 4.300 4.300 4.549 -0.249 17717 10300 1 11 . 1 1 49 49 TRP CA C 49 56.200 56.200 59.582 -3.382 17717 10301 1 11 . 1 1 49 49 TRP CB C 49 27.800 27.800 30.034 -2.234 17717 10302 1 11 . 1 1 49 49 TRP H H 49 8.050 8.050 7.477 0.573 17717 10303 1 11 . 1 1 50 50 ASP N N 50 124.860 124.860 118.935 5.925 17717 10304 1 11 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.327 0.363 17717 10305 1 11 . 1 1 50 50 ASP CA C 50 54.180 54.180 55.414 -1.234 17717 10306 1 11 . 1 1 50 50 ASP CB C 50 40.318 40.318 42.468 -2.150 17717 10307 1 11 . 1 1 50 50 ASP H H 50 8.470 8.470 8.343 0.127 17717 10308 1 11 . 1 1 51 51 THR N N 51 114.240 114.240 113.842 0.398 17717 10309 1 11 . 1 1 51 51 THR HA H 51 4.250 4.250 4.442 -0.192 17717 10310 1 11 . 1 1 51 51 THR CA C 51 61.800 61.800 61.243 0.557 17717 10311 1 11 . 1 1 51 51 THR CB C 51 69.000 69.000 70.115 -1.115 17717 10312 1 11 . 1 1 51 51 THR H H 51 7.920 7.920 7.465 0.455 17717 10313 1 11 . 1 1 52 52 LEU N N 52 124.335 124.335 126.638 -2.303 17717 10314 1 11 . 1 1 52 52 LEU HA H 52 4.261 4.261 4.098 0.163 17717 10315 1 11 . 1 1 52 52 LEU CA C 52 54.800 54.800 56.882 -2.082 17717 10316 1 11 . 1 1 52 52 LEU CB C 52 41.200 41.200 42.304 -1.105 17717 10317 1 11 . 1 1 52 52 LEU H H 52 8.000 8.000 8.636 -0.636 17717 10318 1 11 . 1 1 53 53 GLY N N 53 109.991 109.991 110.731 -0.740 17717 10319 1 11 . 1 1 53 53 GLY CA C 53 44.700 44.700 45.069 -0.369 17717 10320 1 11 . 1 1 53 53 GLY H H 53 8.450 8.450 8.792 -0.342 17717 10321 1 11 . 1 1 54 54 SER N N 54 113.710 113.710 116.775 -3.065 17717 10322 1 11 . 1 1 54 54 SER HA H 54 4.480 4.480 4.623 -0.143 17717 10323 1 11 . 1 1 54 54 SER CA C 54 57.300 57.300 58.714 -1.414 17717 10324 1 11 . 1 1 54 54 SER CB C 54 63.100 63.100 64.001 -0.901 17717 10325 1 11 . 1 1 54 54 SER H H 54 8.060 8.060 8.322 -0.262 17717 10326 1 11 . 1 1 55 55 THR N N 55 116.897 116.897 113.664 3.233 17717 10327 1 11 . 1 1 55 55 THR HA H 55 4.044 4.044 4.518 -0.474 17717 10328 1 11 . 1 1 55 55 THR CA C 55 61.700 61.700 63.253 -1.553 17717 10329 1 11 . 1 1 55 55 THR CB C 55 69.800 69.800 69.818 -0.018 17717 10330 1 11 . 1 1 55 55 THR H H 55 8.210 8.210 8.304 -0.094 17717 10331 1 11 . 1 1 56 56 VAL N N 56 123.300 123.300 118.028 5.272 17717 10332 1 11 . 1 1 56 56 VAL HA H 56 3.793 3.793 4.400 -0.607 17717 10333 1 11 . 1 1 56 56 VAL CA C 56 66.384 66.384 61.285 5.099 17717 10334 1 11 . 1 1 56 56 VAL CB C 56 30.268 30.268 31.212 -0.944 17717 10335 1 11 . 1 1 56 56 VAL H H 56 8.280 8.280 7.780 0.500 17717 10336 1 11 . 1 1 57 57 SER N N 57 117.429 117.429 116.938 0.491 17717 10337 1 11 . 1 1 57 57 SER HA H 57 4.136 4.136 4.132 0.004 17717 10338 1 11 . 1 1 57 57 SER CA C 57 61.100 61.100 61.151 -0.052 17717 10339 1 11 . 1 1 57 57 SER CB C 57 62.800 62.800 63.209 -0.409 17717 10340 1 11 . 1 1 57 57 SER H H 57 7.850 7.850 8.261 -0.411 17717 10341 1 11 . 1 1 58 58 GLN N N 58 128.580 128.580 113.971 14.609 17717 10342 1 11 . 1 1 58 58 GLN HA H 58 4.260 4.260 4.271 -0.011 17717 10343 1 11 . 1 1 58 58 GLN CA C 58 56.642 56.642 56.977 -0.335 17717 10344 1 11 . 1 1 58 58 GLN CB C 58 29.023 29.023 29.171 -0.148 17717 10345 1 11 . 1 1 58 58 GLN H H 58 7.990 7.990 7.991 -0.001 17717 10346 1 11 . 1 1 59 59 LEU N N 59 122.210 122.210 120.267 1.943 17717 10347 1 11 . 1 1 59 59 LEU HA H 59 4.310 4.310 3.971 0.339 17717 10348 1 11 . 1 1 59 59 LEU CA C 59 55.300 55.300 59.038 -3.738 17717 10349 1 11 . 1 1 59 59 LEU CB C 59 41.160 41.160 41.037 0.123 17717 10350 1 11 . 1 1 59 59 LEU H H 59 8.050 8.050 8.262 -0.212 17717 10351 1 11 . 1 1 60 60 GLN N N 60 120.085 120.085 119.094 0.991 17717 10352 1 11 . 1 1 60 60 GLN HA H 60 4.222 4.222 4.018 0.204 17717 10353 1 11 . 1 1 60 60 GLN CA C 60 55.960 55.960 59.074 -3.114 17717 10354 1 11 . 1 1 60 60 GLN CB C 60 27.900 27.900 28.186 -0.286 17717 10355 1 11 . 1 1 60 60 GLN H H 60 8.210 8.210 8.163 0.047 17717 10356 1 11 . 1 1 61 61 GLU N N 61 120.920 120.920 119.057 1.863 17717 10357 1 11 . 1 1 61 61 GLU HA H 61 4.216 4.216 3.975 0.241 17717 10358 1 11 . 1 1 61 61 GLU CA C 61 56.900 56.900 59.238 -2.338 17717 10359 1 11 . 1 1 61 61 GLU CB C 61 28.500 28.500 29.285 -0.785 17717 10360 1 11 . 1 1 61 61 GLU H H 61 8.590 8.590 8.557 0.033 17717 10361 1 11 . 1 1 62 62 ARG N N 62 118.833 118.833 117.786 1.047 17717 10362 1 11 . 1 1 62 62 ARG HA H 62 4.161 4.161 4.212 -0.051 17717 10363 1 11 . 1 1 62 62 ARG CA C 62 58.030 58.030 57.320 0.710 17717 10364 1 11 . 1 1 62 62 ARG CB C 62 29.400 29.400 30.128 -0.728 17717 10365 1 11 . 1 1 62 62 ARG H H 62 7.680 7.680 8.289 -0.609 17717 10366 1 11 . 1 1 63 63 LEU N N 63 118.790 118.790 120.724 -1.934 17717 10367 1 11 . 1 1 63 63 LEU HA H 63 4.100 4.100 4.083 0.017 17717 10368 1 11 . 1 1 63 63 LEU CA C 63 56.360 56.360 57.522 -1.162 17717 10369 1 11 . 1 1 63 63 LEU CB C 63 41.130 41.130 41.342 -0.212 17717 10370 1 11 . 1 1 63 63 LEU H H 63 8.320 8.320 7.802 0.518 17717 10371 1 11 . 1 1 64 64 GLY N N 64 104.679 104.679 108.120 -3.441 17717 10372 1 11 . 1 1 64 64 GLY CA C 64 44.145 44.145 48.061 -3.916 17717 10373 1 11 . 1 1 64 64 GLY H H 64 7.220 7.220 8.308 -1.088 17717 10374 1 11 . 1 1 65 65 PRO CA C 65 62.817 62.817 64.780 -1.963 17717 10375 1 11 . 1 1 65 65 PRO CB C 65 31.290 31.290 31.382 -0.092 17717 10376 1 11 . 1 1 66 66 LEU N N 66 124.866 124.866 120.884 3.982 17717 10377 1 11 . 1 1 66 66 LEU HA H 66 4.609 4.609 4.186 0.423 17717 10378 1 11 . 1 1 66 66 LEU CA C 66 52.900 52.900 58.479 -5.579 17717 10379 1 11 . 1 1 66 66 LEU CB C 66 43.200 43.200 41.014 2.187 17717 10380 1 11 . 1 1 66 66 LEU H H 66 8.550 8.550 7.880 0.670 17717 10381 1 11 . 1 1 67 67 THR N N 67 112.116 112.116 113.234 -1.118 17717 10382 1 11 . 1 1 67 67 THR HA H 67 4.824 4.824 4.390 0.434 17717 10383 1 11 . 1 1 67 67 THR CA C 67 59.240 59.240 66.190 -6.950 17717 10384 1 11 . 1 1 67 67 THR CB C 67 71.550 71.550 68.966 2.584 17717 10385 1 11 . 1 1 67 67 THR H H 67 7.650 7.650 7.898 -0.248 17717 10386 1 11 . 1 1 68 68 ARG N N 68 120.085 120.085 119.775 0.310 17717 10387 1 11 . 1 1 68 68 ARG HA H 68 4.230 4.230 3.952 0.278 17717 10388 1 11 . 1 1 68 68 ARG CA C 68 58.600 58.600 59.311 -0.711 17717 10389 1 11 . 1 1 68 68 ARG CB C 68 28.900 28.900 30.061 -1.161 17717 10390 1 11 . 1 1 68 68 ARG H H 68 8.950 8.950 7.520 1.430 17717 10391 1 11 . 1 1 69 69 ASP N N 69 116.366 116.366 119.919 -3.553 17717 10392 1 11 . 1 1 69 69 ASP HA H 69 4.249 4.249 4.325 -0.076 17717 10393 1 11 . 1 1 69 69 ASP CA C 69 56.100 56.100 58.575 -2.475 17717 10394 1 11 . 1 1 69 69 ASP CB C 69 39.550 39.550 40.704 -1.154 17717 10395 1 11 . 1 1 69 69 ASP H H 69 8.100 8.100 7.741 0.359 17717 10396 1 11 . 1 1 70 70 PHE N N 70 119.553 119.553 118.773 0.780 17717 10397 1 11 . 1 1 70 70 PHE HA H 70 4.090 4.090 3.983 0.107 17717 10398 1 11 . 1 1 70 70 PHE CA C 70 60.700 60.700 59.340 1.360 17717 10399 1 11 . 1 1 70 70 PHE CB C 70 38.100 38.100 37.756 0.344 17717 10400 1 11 . 1 1 70 70 PHE H H 70 7.420 7.420 7.184 0.236 17717 10401 1 11 . 1 1 71 71 TRP N N 71 120.085 120.085 122.427 -2.342 17717 10402 1 11 . 1 1 71 71 TRP HA H 71 4.044 4.044 3.299 0.745 17717 10403 1 11 . 1 1 71 71 TRP CA C 71 58.100 58.100 61.629 -3.529 17717 10404 1 11 . 1 1 71 71 TRP CB C 71 28.100 28.100 28.764 -0.664 17717 10405 1 11 . 1 1 71 71 TRP H H 71 6.950 6.950 7.110 -0.160 17717 10406 1 11 . 1 1 72 72 ASP N N 72 121.450 121.450 117.681 3.769 17717 10407 1 11 . 1 1 72 72 ASP HA H 72 4.310 4.310 3.382 0.928 17717 10408 1 11 . 1 1 72 72 ASP CA C 72 55.350 55.350 56.793 -1.443 17717 10409 1 11 . 1 1 72 72 ASP CB C 72 40.000 40.000 40.420 -0.420 17717 10410 1 11 . 1 1 72 72 ASP H H 72 8.350 8.350 7.831 0.519 17717 10411 1 11 . 1 1 73 73 ASN N N 73 117.200 117.200 118.385 -1.185 17717 10412 1 11 . 1 1 73 73 ASN HA H 73 4.220 4.220 4.390 -0.170 17717 10413 1 11 . 1 1 73 73 ASN CA C 73 54.500 54.500 56.582 -2.082 17717 10414 1 11 . 1 1 73 73 ASN CB C 73 40.000 40.000 38.933 1.067 17717 10415 1 11 . 1 1 73 73 ASN H H 73 7.700 7.700 7.685 0.015 17717 10416 1 11 . 1 1 74 74 LEU N N 74 123.600 123.600 120.161 3.439 17717 10417 1 11 . 1 1 74 74 LEU HA H 74 4.350 4.350 4.369 -0.019 17717 10418 1 11 . 1 1 74 74 LEU CA C 74 54.700 54.700 57.762 -3.062 17717 10419 1 11 . 1 1 74 74 LEU CB C 74 41.400 41.400 42.251 -0.851 17717 10420 1 11 . 1 1 74 74 LEU H H 74 8.330 8.330 8.457 -0.127 17717 10421 1 11 . 1 1 75 75 GLU N N 75 121.400 121.400 120.310 1.090 17717 10422 1 11 . 1 1 75 75 GLU HA H 75 4.000 4.000 3.773 0.227 17717 10423 1 11 . 1 1 75 75 GLU CA C 75 58.200 58.200 59.137 -0.937 17717 10424 1 11 . 1 1 75 75 GLU CB C 75 28.400 28.400 28.771 -0.371 17717 10425 1 11 . 1 1 75 75 GLU H H 75 8.600 8.600 8.321 0.279 17717 10426 1 11 . 1 1 76 76 LYS N N 76 118.000 118.000 118.704 -0.704 17717 10427 1 11 . 1 1 76 76 LYS HA H 76 4.117 4.117 4.097 0.020 17717 10428 1 11 . 1 1 76 76 LYS CA C 76 58.400 58.400 58.853 -0.453 17717 10429 1 11 . 1 1 76 76 LYS CB C 76 32.480 32.480 32.491 -0.011 17717 10430 1 11 . 1 1 76 76 LYS H H 76 7.690 7.690 7.384 0.306 17717 10431 1 11 . 1 1 77 77 GLU N N 77 115.835 115.835 119.141 -3.306 17717 10432 1 11 . 1 1 77 77 GLU HA H 77 4.310 4.310 3.949 0.361 17717 10433 1 11 . 1 1 77 77 GLU CA C 77 54.785 54.785 60.125 -5.340 17717 10434 1 11 . 1 1 77 77 GLU CB C 77 28.355 28.355 29.376 -1.021 17717 10435 1 11 . 1 1 77 77 GLU H H 77 8.290 8.290 7.839 0.451 17717 10436 1 11 . 1 1 78 78 THR N N 78 120.300 120.300 112.430 7.870 17717 10437 1 11 . 1 1 78 78 THR HA H 78 4.410 4.410 3.866 0.544 17717 10438 1 11 . 1 1 78 78 THR CA C 78 68.100 68.100 66.447 1.653 17717 10439 1 11 . 1 1 78 78 THR CB C 78 69.451 69.451 68.637 0.814 17717 10440 1 11 . 1 1 78 78 THR H H 78 7.490 7.490 8.209 -0.719 17717 10441 1 11 . 1 1 79 79 ASP N N 79 120.085 120.085 121.905 -1.820 17717 10442 1 11 . 1 1 79 79 ASP HA H 79 4.480 4.480 4.339 0.141 17717 10443 1 11 . 1 1 79 79 ASP CA C 79 57.426 57.426 57.357 0.069 17717 10444 1 11 . 1 1 79 79 ASP CB C 79 39.240 39.240 40.801 -1.561 17717 10445 1 11 . 1 1 79 79 ASP H H 79 8.880 8.880 7.722 1.158 17717 10446 1 11 . 1 1 80 80 TRP N N 80 123.803 123.803 121.857 1.946 17717 10447 1 11 . 1 1 80 80 TRP HA H 80 4.280 4.280 4.325 -0.045 17717 10448 1 11 . 1 1 80 80 TRP CA C 80 60.660 60.660 61.615 -0.955 17717 10449 1 11 . 1 1 80 80 TRP CB C 80 27.000 27.000 30.360 -3.361 17717 10450 1 11 . 1 1 80 80 TRP H H 80 7.760 7.760 7.932 -0.172 17717 10451 1 11 . 1 1 81 81 VAL N N 81 118.790 118.790 116.586 2.204 17717 10452 1 11 . 1 1 81 81 VAL HA H 81 4.280 4.280 3.830 0.450 17717 10453 1 11 . 1 1 81 81 VAL CA C 81 61.200 61.200 66.311 -5.111 17717 10454 1 11 . 1 1 81 81 VAL CB C 81 29.900 29.900 31.588 -1.688 17717 10455 1 11 . 1 1 81 81 VAL H H 81 8.160 8.160 8.758 -0.598 17717 10456 1 11 . 1 1 82 82 ARG N N 82 119.190 119.190 119.990 -0.800 17717 10457 1 11 . 1 1 82 82 ARG HA H 82 4.480 4.480 3.926 0.554 17717 10458 1 11 . 1 1 82 82 ARG CA C 82 58.400 58.400 59.440 -1.040 17717 10459 1 11 . 1 1 82 82 ARG CB C 82 29.800 29.800 30.081 -0.281 17717 10460 1 11 . 1 1 82 82 ARG H H 82 7.100 7.100 8.362 -1.262 17717 10461 1 11 . 1 1 83 83 GLN N N 83 117.960 117.960 118.175 -0.215 17717 10462 1 11 . 1 1 83 83 GLN HA H 83 4.222 4.222 3.944 0.278 17717 10463 1 11 . 1 1 83 83 GLN CA C 83 55.600 55.600 58.434 -2.834 17717 10464 1 11 . 1 1 83 83 GLN CB C 83 28.550 28.550 28.205 0.345 17717 10465 1 11 . 1 1 83 83 GLN H H 83 8.050 8.050 7.728 0.322 17717 10466 1 11 . 1 1 84 84 GLU N N 84 119.022 119.022 118.643 0.379 17717 10467 1 11 . 1 1 84 84 GLU HA H 84 4.100 4.100 3.976 0.124 17717 10468 1 11 . 1 1 84 84 GLU CA C 84 57.300 57.300 58.105 -0.805 17717 10469 1 11 . 1 1 84 84 GLU CB C 84 28.600 28.600 29.077 -0.477 17717 10470 1 11 . 1 1 84 84 GLU H H 84 7.920 7.920 8.350 -0.430 17717 10471 1 11 . 1 1 85 85 MET N N 85 117.565 117.565 120.745 -3.180 17717 10472 1 11 . 1 1 85 85 MET HA H 85 4.265 4.265 3.940 0.325 17717 10473 1 11 . 1 1 85 85 MET CA C 85 55.020 55.020 59.164 -4.144 17717 10474 1 11 . 1 1 85 85 MET CB C 85 33.000 33.000 32.134 0.866 17717 10475 1 11 . 1 1 85 85 MET H H 85 8.230 8.230 7.848 0.382 17717 10476 1 11 . 1 1 86 86 ASN N N 86 119.022 119.022 116.571 2.451 17717 10477 1 11 . 1 1 86 86 ASN HA H 86 4.570 4.570 4.503 0.067 17717 10478 1 11 . 1 1 86 86 ASN CA C 86 56.000 56.000 55.582 0.418 17717 10479 1 11 . 1 1 86 86 ASN CB C 86 37.700 37.700 38.433 -0.733 17717 10480 1 11 . 1 1 86 86 ASN H H 86 8.600 8.600 7.706 0.894 17717 10481 1 11 . 1 1 87 87 LYS N N 87 120.273 120.273 120.495 -0.222 17717 10482 1 11 . 1 1 87 87 LYS HA H 87 4.100 4.100 3.897 0.203 17717 10483 1 11 . 1 1 87 87 LYS CA C 87 59.000 59.000 59.919 -0.919 17717 10484 1 11 . 1 1 87 87 LYS CB C 87 30.900 30.900 32.153 -1.253 17717 10485 1 11 . 1 1 87 87 LYS H H 87 7.220 7.220 7.516 -0.296 17717 10486 1 11 . 1 1 88 88 ASP N N 88 121.147 121.147 118.842 2.305 17717 10487 1 11 . 1 1 88 88 ASP HA H 88 4.480 4.480 4.405 0.075 17717 10488 1 11 . 1 1 88 88 ASP CA C 88 56.840 56.840 57.089 -0.249 17717 10489 1 11 . 1 1 88 88 ASP CB C 88 39.450 39.450 40.570 -1.120 17717 10490 1 11 . 1 1 88 88 ASP H H 88 7.390 7.390 8.062 -0.672 17717 10491 1 11 . 1 1 89 89 LEU N N 89 122.741 122.741 119.552 3.189 17717 10492 1 11 . 1 1 89 89 LEU HA H 89 4.470 4.470 3.970 0.500 17717 10493 1 11 . 1 1 89 89 LEU CA C 89 57.000 57.000 58.823 -1.823 17717 10494 1 11 . 1 1 89 89 LEU CB C 89 41.000 41.000 42.203 -1.202 17717 10495 1 11 . 1 1 89 89 LEU H H 89 8.910 8.910 7.495 1.415 17717 10496 1 11 . 1 1 90 90 GLU N N 90 119.553 119.553 117.661 1.892 17717 10497 1 11 . 1 1 90 90 GLU HA H 90 4.050 4.050 4.141 -0.091 17717 10498 1 11 . 1 1 90 90 GLU CA C 90 59.100 59.100 58.502 0.598 17717 10499 1 11 . 1 1 90 90 GLU CB C 90 28.556 28.556 29.607 -1.051 17717 10500 1 11 . 1 1 90 90 GLU H H 90 8.260 8.260 7.857 0.403 17717 10501 1 11 . 1 1 91 91 GLU N N 91 119.190 119.190 120.207 -1.017 17717 10502 1 11 . 1 1 91 91 GLU HA H 91 4.136 4.136 4.158 -0.022 17717 10503 1 11 . 1 1 91 91 GLU CA C 91 58.600 58.600 59.279 -0.679 17717 10504 1 11 . 1 1 91 91 GLU CB C 91 28.600 28.600 29.925 -1.325 17717 10505 1 11 . 1 1 91 91 GLU H H 91 7.470 7.470 8.064 -0.594 17717 10506 1 11 . 1 1 92 92 VAL N N 92 122.230 122.230 115.872 6.358 17717 10507 1 11 . 1 1 92 92 VAL HA H 92 3.837 3.837 3.940 -0.103 17717 10508 1 11 . 1 1 92 92 VAL CA C 92 65.900 65.900 66.357 -0.457 17717 10509 1 11 . 1 1 92 92 VAL CB C 92 29.200 29.200 32.048 -2.848 17717 10510 1 11 . 1 1 92 92 VAL H H 92 8.420 8.420 8.302 0.118 17717 10511 1 11 . 1 1 93 93 LYS N N 93 121.300 121.300 118.970 2.330 17717 10512 1 11 . 1 1 93 93 LYS HA H 93 3.836 3.836 4.168 -0.332 17717 10513 1 11 . 1 1 93 93 LYS CA C 93 59.900 59.900 58.818 1.082 17717 10514 1 11 . 1 1 93 93 LYS CB C 93 31.277 31.277 31.887 -0.610 17717 10515 1 11 . 1 1 93 93 LYS H H 93 9.000 9.000 7.722 1.278 17717 10516 1 11 . 1 1 94 94 GLN N N 94 116.900 116.900 117.064 -0.164 17717 10517 1 11 . 1 1 94 94 GLN HA H 94 4.094 4.094 4.280 -0.186 17717 10518 1 11 . 1 1 94 94 GLN CA C 94 57.731 57.731 57.628 0.103 17717 10519 1 11 . 1 1 94 94 GLN CB C 94 27.700 27.700 28.614 -0.914 17717 10520 1 11 . 1 1 94 94 GLN H H 94 7.320 7.320 7.631 -0.311 17717 10521 1 11 . 1 1 95 95 LYS N N 95 119.190 119.190 118.902 0.288 17717 10522 1 11 . 1 1 95 95 LYS HA H 95 4.137 4.137 4.246 -0.109 17717 10523 1 11 . 1 1 95 95 LYS CA C 95 57.700 57.700 58.892 -1.192 17717 10524 1 11 . 1 1 95 95 LYS CB C 95 31.800 31.800 33.261 -1.461 17717 10525 1 11 . 1 1 95 95 LYS H H 95 7.590 7.590 7.638 -0.048 17717 10526 1 11 . 1 1 96 96 VAL N N 96 111.000 111.000 116.936 -5.936 17717 10527 1 11 . 1 1 96 96 VAL HA H 96 4.138 4.138 3.782 0.356 17717 10528 1 11 . 1 1 96 96 VAL CA C 96 61.600 61.600 65.212 -3.612 17717 10529 1 11 . 1 1 96 96 VAL CB C 96 31.500 31.500 31.455 0.045 17717 10530 1 11 . 1 1 96 96 VAL H H 96 7.960 7.960 7.709 0.251 17717 10531 1 11 . 1 1 97 97 GLN N N 97 122.210 122.210 119.845 2.365 17717 10532 1 11 . 1 1 97 97 GLN HA H 97 4.030 4.030 3.930 0.100 17717 10533 1 11 . 1 1 97 97 GLN CA C 97 59.226 59.226 58.806 0.420 17717 10534 1 11 . 1 1 97 97 GLN CB C 97 24.578 24.578 26.921 -2.343 17717 10535 1 11 . 1 1 97 97 GLN H H 97 7.380 7.380 8.339 -0.959 17717 10536 1 11 . 1 1 98 98 PRO CA C 98 65.400 65.400 63.307 2.092 17717 10537 1 11 . 1 1 98 98 PRO CB C 98 30.336 30.336 32.274 -1.938 17717 10538 1 11 . 1 1 99 99 TYR N N 99 116.900 116.900 115.860 1.040 17717 10539 1 11 . 1 1 99 99 TYR HA H 99 4.480 4.480 4.124 0.356 17717 10540 1 11 . 1 1 99 99 TYR CA C 99 58.446 58.446 58.427 0.019 17717 10541 1 11 . 1 1 99 99 TYR CB C 99 36.344 36.344 36.150 0.194 17717 10542 1 11 . 1 1 99 99 TYR H H 99 7.100 7.100 7.904 -0.804 17717 10543 1 11 . 1 1 100 100 LEU N N 100 123.270 123.270 123.763 -0.493 17717 10544 1 11 . 1 1 100 100 LEU HA H 100 3.964 3.964 4.672 -0.708 17717 10545 1 11 . 1 1 100 100 LEU CA C 100 57.300 57.300 55.358 1.942 17717 10546 1 11 . 1 1 100 100 LEU CB C 100 40.950 40.950 42.798 -1.848 17717 10547 1 11 . 1 1 100 100 LEU H H 100 7.500 7.500 8.276 -0.776 17717 10548 1 11 . 1 1 101 101 ASP N N 101 119.500 119.500 119.430 0.070 17717 10549 1 11 . 1 1 101 101 ASP HA H 101 3.810 3.810 4.621 -0.811 17717 10550 1 11 . 1 1 101 101 ASP CA C 101 58.200 58.200 54.654 3.546 17717 10551 1 11 . 1 1 101 101 ASP CB C 101 39.100 39.100 40.005 -0.905 17717 10552 1 11 . 1 1 101 101 ASP H H 101 8.450 8.450 8.135 0.315 17717 10553 1 11 . 1 1 102 102 GLU N N 102 121.221 121.221 121.370 -0.149 17717 10554 1 11 . 1 1 102 102 GLU HA H 102 4.222 4.222 4.019 0.203 17717 10555 1 11 . 1 1 102 102 GLU CA C 102 59.200 59.200 58.753 0.447 17717 10556 1 11 . 1 1 102 102 GLU CB C 102 31.100 31.100 28.791 2.309 17717 10557 1 11 . 1 1 102 102 GLU H H 102 8.190 8.190 8.584 -0.394 17717 10558 1 11 . 1 1 103 103 PHE N N 103 124.065 124.065 120.073 3.992 17717 10559 1 11 . 1 1 103 103 PHE HA H 103 4.520 4.520 4.253 0.267 17717 10560 1 11 . 1 1 103 103 PHE CA C 103 57.183 57.183 60.529 -3.346 17717 10561 1 11 . 1 1 103 103 PHE CB C 103 38.608 38.608 37.552 1.056 17717 10562 1 11 . 1 1 103 103 PHE H H 103 8.170 8.170 7.412 0.758 17717 10563 1 11 . 1 1 104 104 GLN N N 104 123.272 123.272 118.695 4.577 17717 10564 1 11 . 1 1 104 104 GLN HA H 104 4.222 4.222 4.090 0.132 17717 10565 1 11 . 1 1 104 104 GLN CA C 104 55.460 55.460 58.638 -3.178 17717 10566 1 11 . 1 1 104 104 GLN CB C 104 29.200 29.200 28.516 0.684 17717 10567 1 11 . 1 1 104 104 GLN H H 104 8.030 8.030 8.629 -0.599 17717 10568 1 11 . 1 1 105 105 LYS N N 105 119.600 119.600 120.955 -1.355 17717 10569 1 11 . 1 1 105 105 LYS HA H 105 4.136 4.136 4.101 0.035 17717 10570 1 11 . 1 1 105 105 LYS CA C 105 57.830 57.830 59.073 -1.243 17717 10571 1 11 . 1 1 105 105 LYS CB C 105 32.220 32.220 32.055 0.165 17717 10572 1 11 . 1 1 105 105 LYS H H 105 7.800 7.800 7.830 -0.030 17717 10573 1 11 . 1 1 106 106 LYS N N 106 117.960 117.960 121.470 -3.510 17717 10574 1 11 . 1 1 106 106 LYS HA H 106 4.093 4.093 4.084 0.009 17717 10575 1 11 . 1 1 106 106 LYS CA C 106 57.860 57.860 59.431 -1.571 17717 10576 1 11 . 1 1 106 106 LYS CB C 106 32.080 32.080 31.953 0.127 17717 10577 1 11 . 1 1 106 106 LYS H H 106 7.740 7.740 8.004 -0.264 17717 10578 1 11 . 1 1 107 107 TRP N N 107 119.320 119.320 119.265 0.055 17717 10579 1 11 . 1 1 107 107 TRP HA H 107 4.310 4.310 4.646 -0.336 17717 10580 1 11 . 1 1 107 107 TRP CA C 107 54.900 54.900 59.512 -4.612 17717 10581 1 11 . 1 1 107 107 TRP CB C 107 28.400 28.400 29.303 -0.903 17717 10582 1 11 . 1 1 107 107 TRP H H 107 8.390 8.390 7.814 0.576 17717 10583 1 11 . 1 1 108 108 LYS N N 108 120.390 120.390 118.638 1.752 17717 10584 1 11 . 1 1 108 108 LYS HA H 108 4.350 4.350 3.832 0.518 17717 10585 1 11 . 1 1 108 108 LYS CA C 108 58.170 58.170 57.881 0.289 17717 10586 1 11 . 1 1 108 108 LYS CB C 108 30.250 30.250 32.140 -1.890 17717 10587 1 11 . 1 1 108 108 LYS H H 108 7.420 7.420 8.009 -0.589 17717 10588 1 11 . 1 1 109 109 GLU N N 109 120.220 120.220 119.960 0.260 17717 10589 1 11 . 1 1 109 109 GLU HA H 109 3.922 3.922 3.984 -0.062 17717 10590 1 11 . 1 1 109 109 GLU CA C 109 58.230 58.230 59.694 -1.464 17717 10591 1 11 . 1 1 109 109 GLU CB C 109 29.230 29.230 30.064 -0.834 17717 10592 1 11 . 1 1 109 109 GLU H H 109 7.800 7.800 7.662 0.138 17717 10593 1 11 . 1 1 110 110 ASP N N 110 121.678 121.678 119.411 2.267 17717 10594 1 11 . 1 1 110 110 ASP HA H 110 4.096 4.096 4.164 -0.068 17717 10595 1 11 . 1 1 110 110 ASP CA C 110 57.514 57.514 56.987 0.527 17717 10596 1 11 . 1 1 110 110 ASP CB C 110 40.005 40.005 39.845 0.160 17717 10597 1 11 . 1 1 110 110 ASP H H 110 8.220 8.220 8.386 -0.166 17717 10598 1 11 . 1 1 111 111 VAL N N 111 123.537 123.537 119.039 4.498 17717 10599 1 11 . 1 1 111 111 VAL CA C 111 66.380 66.380 65.931 0.449 17717 10600 1 11 . 1 1 111 111 VAL CB C 111 30.800 30.800 30.567 0.233 17717 10601 1 11 . 1 1 111 111 VAL H H 111 9.170 9.170 7.292 1.878 17717 10602 1 11 . 1 1 112 112 GLU N N 112 120.200 120.200 120.628 -0.428 17717 10603 1 11 . 1 1 112 112 GLU HA H 112 4.179 4.179 3.992 0.187 17717 10604 1 11 . 1 1 112 112 GLU CA C 112 58.431 58.431 59.261 -0.830 17717 10605 1 11 . 1 1 112 112 GLU CB C 112 27.878 27.878 29.367 -1.489 17717 10606 1 11 . 1 1 112 112 GLU H H 112 7.540 7.540 7.422 0.118 17717 10607 1 11 . 1 1 113 113 LEU N N 113 120.815 120.815 118.976 1.839 17717 10608 1 11 . 1 1 113 113 LEU HA H 113 4.439 4.439 3.786 0.653 17717 10609 1 11 . 1 1 113 113 LEU CA C 113 53.800 53.800 57.720 -3.920 17717 10610 1 11 . 1 1 113 113 LEU CB C 113 41.060 41.060 40.776 0.284 17717 10611 1 11 . 1 1 113 113 LEU H H 113 7.900 7.900 7.458 0.442 17717 10612 1 11 . 1 1 114 114 TYR N N 114 120.920 120.920 120.038 0.882 17717 10613 1 11 . 1 1 114 114 TYR HA H 114 4.520 4.520 4.028 0.492 17717 10614 1 11 . 1 1 114 114 TYR CA C 114 56.942 56.942 61.675 -4.733 17717 10615 1 11 . 1 1 114 114 TYR CB C 114 37.834 37.834 38.061 -0.227 17717 10616 1 11 . 1 1 114 114 TYR H H 114 8.370 8.370 8.599 -0.229 17717 10617 1 11 . 1 1 115 115 ARG N N 115 118.260 118.260 118.020 0.240 17717 10618 1 11 . 1 1 115 115 ARG HA H 115 4.820 4.820 3.970 0.850 17717 10619 1 11 . 1 1 115 115 ARG CA C 115 55.700 55.700 59.292 -3.592 17717 10620 1 11 . 1 1 115 115 ARG CB C 115 30.600 30.600 29.446 1.154 17717 10621 1 11 . 1 1 115 115 ARG H H 115 7.630 7.630 7.806 -0.176 17717 10622 1 11 . 1 1 116 116 GLN N N 116 116.670 116.670 117.317 -0.647 17717 10623 1 11 . 1 1 116 116 GLN HA H 116 4.480 4.480 4.069 0.411 17717 10624 1 11 . 1 1 116 116 GLN CA C 116 57.100 57.100 58.121 -1.021 17717 10625 1 11 . 1 1 116 116 GLN CB C 116 28.060 28.060 28.256 -0.196 17717 10626 1 11 . 1 1 116 116 GLN H H 116 7.980 7.980 7.439 0.541 17717 10627 1 11 . 1 1 117 117 LYS N N 117 119.200 119.200 120.076 -0.876 17717 10628 1 11 . 1 1 117 117 LYS HA H 117 4.211 4.211 3.788 0.423 17717 10629 1 11 . 1 1 117 117 LYS CA C 117 56.700 56.700 58.430 -1.730 17717 10630 1 11 . 1 1 117 117 LYS CB C 117 32.100 32.100 31.478 0.622 17717 10631 1 11 . 1 1 117 117 LYS H H 117 7.780 7.780 7.463 0.317 17717 10632 1 11 . 1 1 118 118 ALA N N 118 122.740 122.740 120.000 2.740 17717 10633 1 11 . 1 1 118 118 ALA HA H 118 4.179 4.179 4.063 0.116 17717 10634 1 11 . 1 1 118 118 ALA CA C 118 52.100 52.100 53.491 -1.391 17717 10635 1 11 . 1 1 118 118 ALA CB C 118 18.100 18.100 19.136 -1.036 17717 10636 1 11 . 1 1 118 118 ALA H H 118 8.100 8.100 8.118 -0.018 17717 10637 1 11 . 1 1 119 119 SER N N 119 115.840 115.840 114.584 1.256 17717 10638 1 11 . 1 1 119 119 SER HA H 119 4.210 4.210 4.881 -0.671 17717 10639 1 11 . 1 1 119 119 SER CA C 119 55.900 55.900 54.401 1.499 17717 10640 1 11 . 1 1 119 119 SER CB C 119 62.900 62.900 63.889 -0.989 17717 10641 1 11 . 1 1 119 119 SER H H 119 7.800 7.800 7.513 0.287 17717 10642 1 11 . 1 1 120 120 PRO CA C 120 63.074 63.074 63.031 0.043 17717 10643 1 11 . 1 1 120 120 PRO CB C 120 31.408 31.408 32.629 -1.221 17717 10644 1 11 . 1 1 121 121 GLN N N 121 120.800 120.800 126.870 -6.070 17717 10645 1 11 . 1 1 121 121 GLN HA H 121 4.350 4.350 4.065 0.285 17717 10646 1 11 . 1 1 121 121 GLN CA C 121 55.800 55.800 58.850 -3.050 17717 10647 1 11 . 1 1 121 121 GLN CB C 121 28.300 28.300 27.768 0.532 17717 10648 1 11 . 1 1 121 121 GLN H H 121 8.450 8.450 8.695 -0.245 17717 10649 1 11 . 1 1 122 122 GLY N N 122 109.991 109.991 107.198 2.793 17717 10650 1 11 . 1 1 122 122 GLY CA C 122 44.500 44.500 46.552 -2.052 17717 10651 1 11 . 1 1 122 122 GLY H H 122 8.380 8.380 8.878 -0.498 17717 10652 1 11 . 1 1 123 123 ALA N N 123 124.866 124.866 125.003 -0.137 17717 10653 1 11 . 1 1 123 123 ALA HA H 123 4.280 4.280 4.429 -0.149 17717 10654 1 11 . 1 1 123 123 ALA CA C 123 52.440 52.440 55.051 -2.611 17717 10655 1 11 . 1 1 123 123 ALA CB C 123 18.530 18.530 18.694 -0.164 17717 10656 1 11 . 1 1 123 123 ALA H H 123 8.200 8.200 7.906 0.294 17717 10657 1 11 . 1 1 124 124 GLU N N 124 120.000 120.000 118.442 1.558 17717 10658 1 11 . 1 1 124 124 GLU HA H 124 4.265 4.265 4.349 -0.084 17717 10659 1 11 . 1 1 124 124 GLU CA C 124 56.533 56.533 58.222 -1.689 17717 10660 1 11 . 1 1 124 124 GLU CB C 124 29.150 29.150 29.313 -0.163 17717 10661 1 11 . 1 1 124 124 GLU H H 124 8.510 8.510 7.806 0.704 17717 10662 1 11 . 1 1 125 125 LEU N N 125 122.740 122.740 123.336 -0.596 17717 10663 1 11 . 1 1 125 125 LEU HA H 125 4.222 4.222 4.103 0.119 17717 10664 1 11 . 1 1 125 125 LEU CA C 125 55.600 55.600 58.272 -2.672 17717 10665 1 11 . 1 1 125 125 LEU CB C 125 41.500 41.500 41.597 -0.097 17717 10666 1 11 . 1 1 125 125 LEU H H 125 8.110 8.110 8.649 -0.539 17717 10667 1 11 . 1 1 126 126 GLN N N 126 120.616 120.616 116.277 4.339 17717 10668 1 11 . 1 1 126 126 GLN HA H 126 4.140 4.140 4.095 0.045 17717 10669 1 11 . 1 1 126 126 GLN CA C 126 56.600 56.600 58.353 -1.754 17717 10670 1 11 . 1 1 126 126 GLN CB C 126 28.200 28.200 28.310 -0.110 17717 10671 1 11 . 1 1 126 126 GLN H H 126 8.190 8.190 8.112 0.078 17717 10672 1 11 . 1 1 127 127 GLU N N 127 121.221 121.221 120.372 0.849 17717 10673 1 11 . 1 1 127 127 GLU HA H 127 4.480 4.480 4.154 0.326 17717 10674 1 11 . 1 1 127 127 GLU CA C 127 57.800 57.800 59.344 -1.544 17717 10675 1 11 . 1 1 127 127 GLU CB C 127 28.000 28.000 29.651 -1.651 17717 10676 1 11 . 1 1 127 127 GLU H H 127 8.130 8.130 7.787 0.343 17717 10677 1 11 . 1 1 128 128 SER N N 128 117.960 117.960 115.195 2.765 17717 10678 1 11 . 1 1 128 128 SER HA H 128 4.140 4.140 4.333 -0.193 17717 10679 1 11 . 1 1 128 128 SER CA C 128 57.800 57.800 61.332 -3.532 17717 10680 1 11 . 1 1 128 128 SER CB C 128 63.860 63.860 63.404 0.456 17717 10681 1 11 . 1 1 128 128 SER H H 128 8.580 8.580 8.580 0.000 17717 10682 1 11 . 1 1 129 129 ALA N N 129 132.300 132.300 123.662 8.638 17717 10683 1 11 . 1 1 129 129 ALA CA C 129 53.505 53.505 52.898 0.608 17717 10684 1 11 . 1 1 129 129 ALA CB C 129 18.600 18.600 18.873 -0.273 17717 10685 1 11 . 1 1 129 129 ALA H H 129 7.980 7.980 7.938 0.042 17717 10686 1 11 . 1 1 130 130 ARG N N 130 119.553 119.553 117.144 2.409 17717 10687 1 11 . 1 1 130 130 ARG HA H 130 4.274 4.274 4.482 -0.208 17717 10688 1 11 . 1 1 130 130 ARG CA C 130 55.300 55.300 55.863 -0.563 17717 10689 1 11 . 1 1 130 130 ARG CB C 130 31.600 31.600 31.737 -0.137 17717 10690 1 11 . 1 1 130 130 ARG H H 130 8.150 8.150 7.598 0.552 17717 10691 1 11 . 1 1 131 131 GLN N N 131 117.960 117.960 119.931 -1.971 17717 10692 1 11 . 1 1 131 131 GLN HA H 131 4.350 4.350 4.578 -0.228 17717 10693 1 11 . 1 1 131 131 GLN CA C 131 56.066 56.066 56.125 -0.059 17717 10694 1 11 . 1 1 131 131 GLN CB C 131 29.000 29.000 29.532 -0.532 17717 10695 1 11 . 1 1 131 131 GLN H H 131 7.880 7.880 7.879 0.001 17717 10696 1 11 . 1 1 132 132 LYS N N 132 121.357 121.357 122.061 -0.704 17717 10697 1 11 . 1 1 132 132 LYS HA H 132 4.136 4.136 4.135 0.001 17717 10698 1 11 . 1 1 132 132 LYS CA C 132 56.800 56.800 59.404 -2.604 17717 10699 1 11 . 1 1 132 132 LYS CB C 132 31.100 31.100 32.531 -1.431 17717 10700 1 11 . 1 1 132 132 LYS H H 132 7.892 7.892 8.760 -0.868 17717 10701 1 11 . 1 1 133 133 LEU N N 133 120.620 120.620 115.413 5.207 17717 10702 1 11 . 1 1 133 133 LEU HA H 133 4.480 4.480 4.323 0.157 17717 10703 1 11 . 1 1 133 133 LEU CA C 133 53.900 53.900 55.881 -1.981 17717 10704 1 11 . 1 1 133 133 LEU CB C 133 41.230 41.230 42.803 -1.573 17717 10705 1 11 . 1 1 133 133 LEU H H 133 8.320 8.320 7.584 0.736 17717 10706 1 11 . 1 1 134 134 GLN N N 134 121.147 121.147 115.796 5.351 17717 10707 1 11 . 1 1 134 134 GLN HA H 134 4.222 4.222 4.285 -0.063 17717 10708 1 11 . 1 1 134 134 GLN CA C 134 56.146 56.146 55.882 0.264 17717 10709 1 11 . 1 1 134 134 GLN CB C 134 31.813 31.813 29.802 2.011 17717 10710 1 11 . 1 1 134 134 GLN H H 134 7.870 7.870 7.672 0.198 17717 10711 1 11 . 1 1 135 135 GLU N N 135 121.678 121.678 120.353 1.325 17717 10712 1 11 . 1 1 135 135 GLU HA H 135 4.136 4.136 4.144 -0.008 17717 10713 1 11 . 1 1 135 135 GLU CA C 135 55.904 55.904 56.552 -0.648 17717 10714 1 11 . 1 1 135 135 GLU CB C 135 28.953 28.953 29.696 -0.743 17717 10715 1 11 . 1 1 135 135 GLU H H 135 7.892 7.892 8.258 -0.366 17717 10716 1 11 . 1 1 136 136 LEU N N 136 121.357 121.357 122.637 -1.280 17717 10717 1 11 . 1 1 136 136 LEU HA H 136 4.351 4.351 4.113 0.238 17717 10718 1 11 . 1 1 136 136 LEU CA C 136 54.765 54.765 56.953 -2.188 17717 10719 1 11 . 1 1 136 136 LEU CB C 136 41.823 41.823 42.011 -0.188 17717 10720 1 11 . 1 1 136 136 LEU H H 136 7.962 7.962 8.124 -0.162 17717 10721 1 11 . 1 1 137 137 GLN N N 137 124.866 124.866 119.177 5.689 17717 10722 1 11 . 1 1 137 137 GLN HA H 137 4.222 4.222 4.336 -0.114 17717 10723 1 11 . 1 1 137 137 GLN CA C 137 56.300 56.300 55.127 1.173 17717 10724 1 11 . 1 1 137 137 GLN CB C 137 28.000 28.000 29.576 -1.576 17717 10725 1 11 . 1 1 137 137 GLN H H 137 7.938 7.938 8.010 -0.072 17717 10726 1 11 . 1 1 138 138 GLY N N 138 111.054 111.054 108.666 2.388 17717 10727 1 11 . 1 1 138 138 GLY CA C 138 44.800 44.800 45.313 -0.513 17717 10728 1 11 . 1 1 138 138 GLY H H 138 8.410 8.410 8.814 -0.404 17717 10729 1 11 . 1 1 139 139 ARG N N 139 116.366 116.366 125.341 -8.975 17717 10730 1 11 . 1 1 139 139 ARG HA H 139 4.230 4.230 4.320 -0.090 17717 10731 1 11 . 1 1 139 139 ARG CA C 139 56.300 56.300 56.517 -0.216 17717 10732 1 11 . 1 1 139 139 ARG CB C 139 28.700 28.700 30.706 -2.006 17717 10733 1 11 . 1 1 139 139 ARG H H 139 8.080 8.080 8.225 -0.145 17717 10734 1 11 . 1 1 140 140 LEU N N 140 126.460 126.460 121.802 4.658 17717 10735 1 11 . 1 1 140 140 LEU HA H 140 4.220 4.220 4.056 0.164 17717 10736 1 11 . 1 1 140 140 LEU CA C 140 56.500 56.500 55.459 1.041 17717 10737 1 11 . 1 1 140 140 LEU CB C 140 41.496 41.496 40.453 1.043 17717 10738 1 11 . 1 1 140 140 LEU H H 140 7.740 7.740 8.157 -0.417 17717 10739 1 11 . 1 1 141 141 SER N N 141 119.190 119.190 115.273 3.917 17717 10740 1 11 . 1 1 141 141 SER HA H 141 4.390 4.390 4.279 0.111 17717 10741 1 11 . 1 1 141 141 SER CA C 141 56.384 56.384 58.254 -1.869 17717 10742 1 11 . 1 1 141 141 SER CB C 141 62.996 62.996 62.155 0.841 17717 10743 1 11 . 1 1 141 141 SER H H 141 8.430 8.430 8.177 0.253 17717 10744 1 11 . 1 1 142 142 PRO CA C 142 64.840 64.840 65.077 -0.237 17717 10745 1 11 . 1 1 142 142 PRO CB C 142 31.345 31.345 31.518 -0.173 17717 10746 1 11 . 1 1 143 143 VAL N N 143 116.900 116.900 116.605 0.295 17717 10747 1 11 . 1 1 143 143 VAL HA H 143 4.100 4.100 4.334 -0.234 17717 10748 1 11 . 1 1 143 143 VAL CA C 143 63.800 63.800 64.402 -0.602 17717 10749 1 11 . 1 1 143 143 VAL CB C 143 31.400 31.400 30.258 1.142 17717 10750 1 11 . 1 1 143 143 VAL H H 143 7.780 7.780 8.068 -0.288 17717 10751 1 11 . 1 1 144 144 ALA N N 144 125.700 125.700 122.184 3.516 17717 10752 1 11 . 1 1 144 144 ALA HA H 144 4.390 4.390 4.107 0.283 17717 10753 1 11 . 1 1 144 144 ALA CA C 144 54.200 54.200 55.009 -0.809 17717 10754 1 11 . 1 1 144 144 ALA CB C 144 18.361 18.361 18.389 -0.028 17717 10755 1 11 . 1 1 144 144 ALA H H 144 7.970 7.970 7.566 0.404 17717 10756 1 11 . 1 1 145 145 GLU N N 145 120.000 120.000 118.119 1.881 17717 10757 1 11 . 1 1 145 145 GLU HA H 145 3.920 3.920 3.999 -0.079 17717 10758 1 11 . 1 1 145 145 GLU CA C 145 59.400 59.400 59.554 -0.154 17717 10759 1 11 . 1 1 145 145 GLU CB C 145 28.400 28.400 29.187 -0.787 17717 10760 1 11 . 1 1 145 145 GLU H H 145 8.600 8.600 8.497 0.103 17717 10761 1 11 . 1 1 146 146 GLU N N 146 119.022 119.022 119.946 -0.924 17717 10762 1 11 . 1 1 146 146 GLU HA H 146 4.050 4.050 4.093 -0.043 17717 10763 1 11 . 1 1 146 146 GLU CA C 146 58.422 58.422 59.135 -0.713 17717 10764 1 11 . 1 1 146 146 GLU CB C 146 28.172 28.172 29.385 -1.213 17717 10765 1 11 . 1 1 146 146 GLU H H 146 8.070 8.070 7.655 0.415 17717 10766 1 11 . 1 1 147 147 PHE N N 147 117.023 117.023 120.930 -3.907 17717 10767 1 11 . 1 1 147 147 PHE HA H 147 4.523 4.523 4.111 0.412 17717 10768 1 11 . 1 1 147 147 PHE CA C 147 58.592 58.592 60.643 -2.051 17717 10769 1 11 . 1 1 147 147 PHE CB C 147 40.344 40.344 39.156 1.188 17717 10770 1 11 . 1 1 147 147 PHE H H 147 8.161 8.161 8.097 0.064 17717 10771 1 11 . 1 1 148 148 ARG N N 148 120.085 120.085 118.651 1.434 17717 10772 1 11 . 1 1 148 148 ARG HA H 148 4.136 4.136 3.529 0.607 17717 10773 1 11 . 1 1 148 148 ARG CA C 148 57.700 57.700 59.816 -2.116 17717 10774 1 11 . 1 1 148 148 ARG CB C 148 30.400 30.400 29.652 0.748 17717 10775 1 11 . 1 1 148 148 ARG H H 148 8.325 8.325 8.086 0.239 17717 10776 1 11 . 1 1 149 149 ASP N N 149 118.530 118.530 117.485 1.045 17717 10777 1 11 . 1 1 149 149 ASP HA H 149 4.310 4.310 4.437 -0.127 17717 10778 1 11 . 1 1 149 149 ASP CA C 149 54.600 54.600 57.160 -2.560 17717 10779 1 11 . 1 1 149 149 ASP CB C 149 41.000 41.000 40.750 0.250 17717 10780 1 11 . 1 1 149 149 ASP H H 149 8.270 8.270 7.542 0.728 17717 10781 1 11 . 1 1 150 150 ARG N N 150 126.460 126.460 120.179 6.281 17717 10782 1 11 . 1 1 150 150 ARG HA H 150 4.180 4.180 4.161 0.019 17717 10783 1 11 . 1 1 150 150 ARG CA C 150 56.850 56.850 58.294 -1.444 17717 10784 1 11 . 1 1 150 150 ARG CB C 150 30.451 30.451 29.909 0.542 17717 10785 1 11 . 1 1 150 150 ARG H H 150 7.860 7.860 8.194 -0.334 17717 10786 1 11 . 1 1 152 152 ARG CA C 152 55.764 55.764 59.941 -4.177 17717 10787 1 11 . 1 1 152 152 ARG CB C 152 30.014 30.014 30.115 -0.101 17717 10788 1 11 . 1 1 153 153 THR N N 153 115.832 115.832 114.287 1.545 17717 10789 1 11 . 1 1 153 153 THR HA H 153 4.350 4.350 4.052 0.298 17717 10790 1 11 . 1 1 153 153 THR CA C 153 61.200 61.200 66.467 -5.267 17717 10791 1 11 . 1 1 153 153 THR CB C 153 69.400 69.400 68.266 1.134 17717 10792 1 11 . 1 1 153 153 THR H H 153 8.170 8.170 7.960 0.210 17717 10793 1 11 . 1 1 154 154 HIS N N 154 129.120 129.120 122.926 6.194 17717 10794 1 11 . 1 1 154 154 HIS HA H 154 4.650 4.650 4.216 0.434 17717 10795 1 11 . 1 1 154 154 HIS CA C 154 56.800 56.800 58.921 -2.121 17717 10796 1 11 . 1 1 154 154 HIS CB C 154 30.400 30.400 29.407 0.993 17717 10797 1 11 . 1 1 154 154 HIS H H 154 7.950 7.950 8.120 -0.170 17717 10798 1 11 . 1 1 155 155 VAL N N 155 120.620 120.620 117.740 2.880 17717 10799 1 11 . 1 1 155 155 VAL HA H 155 4.012 4.012 3.381 0.631 17717 10800 1 11 . 1 1 155 155 VAL CA C 155 62.300 62.300 65.837 -3.537 17717 10801 1 11 . 1 1 155 155 VAL CB C 155 31.600 31.600 30.565 1.035 17717 10802 1 11 . 1 1 155 155 VAL H H 155 7.910 7.910 7.371 0.539 17717 10803 1 11 . 1 1 156 156 ASP N N 156 121.147 121.147 120.811 0.336 17717 10804 1 11 . 1 1 156 156 ASP HA H 156 4.440 4.440 4.311 0.129 17717 10805 1 11 . 1 1 156 156 ASP CA C 156 57.384 57.384 57.634 -0.250 17717 10806 1 11 . 1 1 156 156 ASP CB C 156 40.140 40.140 40.990 -0.850 17717 10807 1 11 . 1 1 156 156 ASP H H 156 8.100 8.100 8.420 -0.320 17717 10808 1 11 . 1 1 157 157 SER N N 157 116.366 116.366 116.863 -0.497 17717 10809 1 11 . 1 1 157 157 SER HA H 157 4.220 4.220 4.105 0.115 17717 10810 1 11 . 1 1 157 157 SER CA C 157 61.500 61.500 61.420 0.079 17717 10811 1 11 . 1 1 157 157 SER CB C 157 62.500 62.500 63.316 -0.817 17717 10812 1 11 . 1 1 157 157 SER H H 157 8.700 8.700 8.059 0.641 17717 10813 1 11 . 1 1 158 158 LEU N N 158 123.272 123.272 122.317 0.955 17717 10814 1 11 . 1 1 158 158 LEU HA H 158 4.520 4.520 4.276 0.244 17717 10815 1 11 . 1 1 158 158 LEU CA C 158 57.140 57.140 58.087 -0.947 17717 10816 1 11 . 1 1 158 158 LEU CB C 158 40.900 40.900 41.841 -0.941 17717 10817 1 11 . 1 1 158 158 LEU H H 158 7.790 7.790 7.860 -0.070 17717 10818 1 11 . 1 1 159 159 ARG N N 159 119.553 119.553 116.178 3.375 17717 10819 1 11 . 1 1 159 159 ARG HA H 159 4.530 4.530 4.119 0.411 17717 10820 1 11 . 1 1 159 159 ARG CA C 159 56.800 56.800 59.034 -2.234 17717 10821 1 11 . 1 1 159 159 ARG CB C 159 29.000 29.000 30.266 -1.266 17717 10822 1 11 . 1 1 159 159 ARG H H 159 8.650 8.650 7.854 0.796 17717 10823 1 11 . 1 1 160 160 THR N N 160 115.304 115.304 115.636 -0.332 17717 10824 1 11 . 1 1 160 160 THR HA H 160 3.880 3.880 4.029 -0.149 17717 10825 1 11 . 1 1 160 160 THR CA C 160 65.300 65.300 66.368 -1.068 17717 10826 1 11 . 1 1 160 160 THR CB C 160 68.900 68.900 68.519 0.381 17717 10827 1 11 . 1 1 160 160 THR H H 160 8.100 8.100 7.452 0.648 17717 10828 1 11 . 1 1 161 161 GLN N N 161 122.440 122.440 117.963 4.477 17717 10829 1 11 . 1 1 161 161 GLN HA H 161 4.220 4.220 4.291 -0.071 17717 10830 1 11 . 1 1 161 161 GLN CA C 161 56.900 56.900 58.106 -1.206 17717 10831 1 11 . 1 1 161 161 GLN CB C 161 26.160 26.160 28.810 -2.650 17717 10832 1 11 . 1 1 161 161 GLN H H 161 8.070 8.070 8.020 0.050 17717 10833 1 11 . 1 1 162 162 LEU N N 162 115.398 115.398 121.504 -6.106 17717 10834 1 11 . 1 1 162 162 LEU HA H 162 4.220 4.220 4.477 -0.257 17717 10835 1 11 . 1 1 162 162 LEU CA C 162 56.500 56.500 55.772 0.728 17717 10836 1 11 . 1 1 162 162 LEU CB C 162 41.000 41.000 40.663 0.337 17717 10837 1 11 . 1 1 162 162 LEU H H 162 7.980 7.980 7.821 0.159 17717 10838 1 11 . 1 1 163 163 ALA N N 163 122.210 122.210 122.936 -0.726 17717 10839 1 11 . 1 1 163 163 ALA HA H 163 4.260 4.260 4.101 0.160 17717 10840 1 11 . 1 1 163 163 ALA CA C 163 56.560 56.560 57.131 -0.571 17717 10841 1 11 . 1 1 163 163 ALA CB C 163 15.000 15.000 16.211 -1.211 17717 10842 1 11 . 1 1 163 163 ALA H H 163 7.460 7.460 8.195 -0.735 17717 10843 1 11 . 1 1 164 164 PRO CA C 164 62.800 62.800 65.495 -2.695 17717 10844 1 11 . 1 1 164 164 PRO CB C 164 31.500 31.500 31.464 0.036 17717 10845 1 11 . 1 1 165 165 HIS N N 165 120.080 120.080 117.011 3.069 17717 10846 1 11 . 1 1 165 165 HIS HA H 165 4.390 4.390 4.256 0.134 17717 10847 1 11 . 1 1 165 165 HIS CA C 165 56.000 56.000 59.740 -3.740 17717 10848 1 11 . 1 1 165 165 HIS CB C 165 28.400 28.400 29.749 -1.349 17717 10849 1 11 . 1 1 165 165 HIS H H 165 8.060 8.060 7.802 0.258 17717 10850 1 11 . 1 1 166 166 SER N N 166 116.366 116.366 114.812 1.554 17717 10851 1 11 . 1 1 166 166 SER HA H 166 4.300 4.300 4.026 0.274 17717 10852 1 11 . 1 1 166 166 SER CA C 166 61.200 61.200 61.756 -0.556 17717 10853 1 11 . 1 1 166 166 SER CB C 166 63.000 63.000 63.085 -0.085 17717 10854 1 11 . 1 1 166 166 SER H H 166 8.040 8.040 8.333 -0.293 17717 10855 1 11 . 1 1 167 167 GLU N N 167 121.678 121.678 121.707 -0.029 17717 10856 1 11 . 1 1 167 167 GLU HA H 167 3.922 3.922 3.963 -0.041 17717 10857 1 11 . 1 1 167 167 GLU CA C 167 62.800 62.800 59.404 3.396 17717 10858 1 11 . 1 1 167 167 GLU CB C 167 31.100 31.100 29.658 1.442 17717 10859 1 11 . 1 1 167 167 GLU H H 167 7.760 7.760 7.600 0.160 17717 10860 1 11 . 1 1 168 168 GLN N N 168 121.147 121.147 118.751 2.396 17717 10861 1 11 . 1 1 168 168 GLN HA H 168 4.320 4.320 4.160 0.160 17717 10862 1 11 . 1 1 168 168 GLN CA C 168 55.300 55.300 58.367 -3.067 17717 10863 1 11 . 1 1 168 168 GLN CB C 168 28.200 28.200 28.762 -0.562 17717 10864 1 11 . 1 1 168 168 GLN H H 168 8.450 8.450 8.309 0.141 17717 10865 1 11 . 1 1 170 170 ARG CA C 170 58.370 58.370 59.446 -1.076 17717 10866 1 11 . 1 1 170 170 ARG CB C 170 28.900 28.900 30.087 -1.187 17717 10867 1 11 . 1 1 171 171 GLU N N 171 117.960 117.960 119.145 -1.185 17717 10868 1 11 . 1 1 171 171 GLU HA H 171 4.140 4.140 4.267 -0.127 17717 10869 1 11 . 1 1 171 171 GLU CA C 171 57.300 57.300 58.856 -1.556 17717 10870 1 11 . 1 1 171 171 GLU CB C 171 29.200 29.200 29.580 -0.380 17717 10871 1 11 . 1 1 171 171 GLU H H 171 7.730 7.730 7.856 -0.126 17717 10872 1 11 . 1 1 172 172 SER N N 172 116.366 116.366 116.936 -0.570 17717 10873 1 11 . 1 1 172 172 SER HA H 172 4.270 4.270 4.126 0.144 17717 10874 1 11 . 1 1 172 172 SER CA C 172 58.000 58.000 62.121 -4.121 17717 10875 1 11 . 1 1 172 172 SER CB C 172 63.000 63.000 62.986 0.014 17717 10876 1 11 . 1 1 172 172 SER H H 172 8.320 8.320 8.466 -0.146 17717 10877 1 11 . 1 1 173 173 LEU N N 173 124.866 124.866 122.205 2.661 17717 10878 1 11 . 1 1 173 173 LEU HA H 173 4.352 4.352 4.099 0.253 17717 10879 1 11 . 1 1 173 173 LEU CA C 173 54.540 54.540 57.597 -3.057 17717 10880 1 11 . 1 1 173 173 LEU CB C 173 41.400 41.400 41.451 -0.051 17717 10881 1 11 . 1 1 173 173 LEU H H 173 8.260 8.260 7.918 0.342 17717 10882 1 11 . 1 1 174 174 ALA N N 174 126.460 126.460 121.033 5.427 17717 10883 1 11 . 1 1 174 174 ALA HA H 174 4.270 4.270 3.819 0.451 17717 10884 1 11 . 1 1 174 174 ALA CA C 174 55.400 55.400 54.777 0.623 17717 10885 1 11 . 1 1 174 174 ALA CB C 174 17.200 17.200 18.068 -0.868 17717 10886 1 11 . 1 1 174 174 ALA H H 174 8.210 8.210 7.457 0.753 17717 10887 1 11 . 1 1 175 175 GLN N N 175 117.430 117.430 118.040 -0.610 17717 10888 1 11 . 1 1 175 175 GLN HA H 175 4.060 4.060 4.018 0.042 17717 10889 1 11 . 1 1 175 175 GLN CA C 175 58.600 58.600 58.246 0.354 17717 10890 1 11 . 1 1 175 175 GLN CB C 175 27.400 27.400 28.710 -1.310 17717 10891 1 11 . 1 1 175 175 GLN H H 175 8.450 8.450 8.056 0.394 17717 10892 1 11 . 1 1 176 176 ARG N N 176 119.550 119.550 121.224 -1.674 17717 10893 1 11 . 1 1 176 176 ARG HA H 176 4.180 4.180 3.928 0.252 17717 10894 1 11 . 1 1 176 176 ARG CA C 176 56.900 56.900 59.735 -2.835 17717 10895 1 11 . 1 1 176 176 ARG CB C 176 29.300 29.300 30.225 -0.925 17717 10896 1 11 . 1 1 176 176 ARG H H 176 8.070 8.070 8.290 -0.220 17717 10897 1 11 . 1 1 177 177 LEU N N 177 115.840 115.840 116.416 -0.576 17717 10898 1 11 . 1 1 177 177 LEU HA H 177 4.180 4.180 3.901 0.279 17717 10899 1 11 . 1 1 177 177 LEU CA C 177 56.900 56.900 57.951 -1.051 17717 10900 1 11 . 1 1 177 177 LEU CB C 177 40.100 40.100 40.911 -0.811 17717 10901 1 11 . 1 1 177 177 LEU H H 177 8.330 8.330 7.482 0.848 17717 10902 1 11 . 1 1 178 178 ALA N N 178 121.220 121.220 121.174 0.046 17717 10903 1 11 . 1 1 178 178 ALA HA H 178 3.880 3.880 3.943 -0.063 17717 10904 1 11 . 1 1 178 178 ALA CA C 178 54.600 54.600 54.683 -0.083 17717 10905 1 11 . 1 1 178 178 ALA CB C 178 16.900 16.900 18.023 -1.123 17717 10906 1 11 . 1 1 178 178 ALA H H 178 8.570 8.570 7.521 1.049 17717 10907 1 11 . 1 1 179 179 GLU N N 179 118.490 118.490 120.271 -1.781 17717 10908 1 11 . 1 1 179 179 GLU HA H 179 4.180 4.180 4.043 0.137 17717 10909 1 11 . 1 1 179 179 GLU CA C 179 56.600 56.600 59.280 -2.680 17717 10910 1 11 . 1 1 179 179 GLU CB C 179 29.000 29.000 29.760 -0.760 17717 10911 1 11 . 1 1 179 179 GLU H H 179 7.680 7.680 8.024 -0.344 17717 10912 1 11 . 1 1 180 180 LEU N N 180 117.730 117.730 117.482 0.248 17717 10913 1 11 . 1 1 180 180 LEU HA H 180 4.265 4.265 4.036 0.229 17717 10914 1 11 . 1 1 180 180 LEU CA C 180 55.020 55.020 57.244 -2.224 17717 10915 1 11 . 1 1 180 180 LEU CB C 180 41.100 41.100 41.752 -0.652 17717 10916 1 11 . 1 1 180 180 LEU H H 180 7.680 7.680 7.516 0.164 17717 10917 1 11 . 1 1 181 181 LYS N N 181 117.400 117.400 116.963 0.437 17717 10918 1 11 . 1 1 181 181 LYS HA H 181 4.480 4.480 3.937 0.543 17717 10919 1 11 . 1 1 181 181 LYS CA C 181 61.900 61.900 58.164 3.736 17717 10920 1 11 . 1 1 181 181 LYS CB C 181 31.800 31.800 32.726 -0.926 17717 10921 1 11 . 1 1 181 181 LYS H H 181 7.510 7.510 7.456 0.054 17717 10922 1 11 . 1 1 182 182 SER N N 182 114.010 114.010 112.581 1.429 17717 10923 1 11 . 1 1 182 182 SER HA H 182 4.350 4.350 4.312 0.038 17717 10924 1 11 . 1 1 182 182 SER CA C 182 58.000 58.000 59.858 -1.858 17717 10925 1 11 . 1 1 182 182 SER CB C 182 63.300 63.300 64.131 -0.831 17717 10926 1 11 . 1 1 182 182 SER H H 182 7.920 7.920 7.863 0.057 17717 10927 1 11 . 1 1 183 183 ASN N N 183 123.040 123.040 119.291 3.749 17717 10928 1 11 . 1 1 183 183 ASN HA H 183 4.310 4.310 4.631 -0.321 17717 10929 1 11 . 1 1 183 183 ASN CA C 183 55.115 55.115 53.019 2.096 17717 10930 1 11 . 1 1 183 183 ASN CB C 183 37.838 37.838 38.224 -0.386 17717 10931 1 11 . 1 1 183 183 ASN H H 183 8.250 8.250 7.866 0.384 17717 10932 1 11 . 1 1 184 184 PRO CA C 184 63.180 63.180 64.503 -1.323 17717 10933 1 11 . 1 1 184 184 PRO CB C 184 31.400 31.400 32.314 -0.914 17717 10934 1 11 . 1 1 185 185 THR N N 185 114.240 114.240 110.759 3.481 17717 10935 1 11 . 1 1 185 185 THR HA H 185 4.270 4.270 4.544 -0.274 17717 10936 1 11 . 1 1 185 185 THR CA C 185 61.200 61.200 60.755 0.445 17717 10937 1 11 . 1 1 185 185 THR CB C 185 69.100 69.100 71.522 -2.422 17717 10938 1 11 . 1 1 185 185 THR H H 185 8.150 8.150 7.536 0.614 17717 10939 1 11 . 1 1 186 186 LEU N N 186 123.270 123.270 119.155 4.115 17717 10940 1 11 . 1 1 186 186 LEU HA H 186 4.350 4.350 4.746 -0.396 17717 10941 1 11 . 1 1 186 186 LEU CA C 186 55.000 55.000 54.487 0.513 17717 10942 1 11 . 1 1 186 186 LEU CB C 186 41.000 41.000 43.792 -2.792 17717 10943 1 11 . 1 1 186 186 LEU H H 186 8.430 8.430 8.118 0.312 17717 10944 1 11 . 1 1 187 187 ASN N N 187 119.020 119.020 123.046 -4.026 17717 10945 1 11 . 1 1 187 187 ASN HA H 187 4.530 4.530 4.867 -0.337 17717 10946 1 11 . 1 1 187 187 ASN CA C 187 53.400 53.400 53.584 -0.184 17717 10947 1 11 . 1 1 187 187 ASN CB C 187 37.900 37.900 39.563 -1.663 17717 10948 1 11 . 1 1 187 187 ASN H H 187 8.370 8.370 8.677 -0.307 17717 10949 1 11 . 1 1 188 188 GLU N N 188 123.270 123.270 121.926 1.344 17717 10950 1 11 . 1 1 188 188 GLU HA H 188 4.000 4.000 4.377 -0.377 17717 10951 1 11 . 1 1 188 188 GLU CA C 188 61.700 61.700 55.885 5.815 17717 10952 1 11 . 1 1 188 188 GLU CB C 188 32.100 32.100 30.832 1.268 17717 10953 1 11 . 1 1 188 188 GLU H H 188 7.870 7.870 8.826 -0.956 17717 10954 1 11 . 1 1 189 189 TYR N N 189 122.210 122.210 121.356 0.854 17717 10955 1 11 . 1 1 189 189 TYR HA H 189 4.440 4.440 4.540 -0.100 17717 10956 1 11 . 1 1 189 189 TYR CA C 189 57.120 57.120 56.933 0.187 17717 10957 1 11 . 1 1 189 189 TYR CB C 189 40.000 40.000 39.364 0.637 17717 10958 1 11 . 1 1 189 189 TYR H H 189 8.590 8.590 8.025 0.565 17717 10959 1 11 . 1 1 190 190 HIS N N 190 124.866 124.866 125.952 -1.086 17717 10960 1 11 . 1 1 190 190 HIS HA H 190 4.780 4.780 4.723 0.057 17717 10961 1 11 . 1 1 190 190 HIS CA C 190 56.000 56.000 52.789 3.211 17717 10962 1 11 . 1 1 190 190 HIS CB C 190 29.400 29.400 27.439 1.961 17717 10963 1 11 . 1 1 190 190 HIS H H 190 8.420 8.420 8.802 -0.382 17717 10964 1 11 . 1 1 191 191 SER N N 191 117.429 117.429 115.341 2.088 17717 10965 1 11 . 1 1 191 191 SER HA H 191 4.140 4.140 4.169 -0.029 17717 10966 1 11 . 1 1 191 191 SER CA C 191 58.140 58.140 60.033 -1.893 17717 10967 1 11 . 1 1 191 191 SER CB C 191 63.140 63.140 61.596 1.544 17717 10968 1 11 . 1 1 191 191 SER H H 191 8.270 8.270 8.899 -0.629 17717 10969 1 11 . 1 1 192 192 SER N N 192 124.335 124.335 115.069 9.266 17717 10970 1 11 . 1 1 192 192 SER HA H 192 4.730 4.730 4.443 0.287 17717 10971 1 11 . 1 1 192 192 SER CA C 192 59.020 59.020 59.197 -0.177 17717 10972 1 11 . 1 1 192 192 SER CB C 192 63.000 63.000 62.963 0.037 17717 10973 1 11 . 1 1 192 192 SER H H 192 8.010 8.010 8.797 -0.787 17717 10974 1 11 . 1 1 193 193 ALA N N 193 125.930 125.930 118.998 6.932 17717 10975 1 11 . 1 1 193 193 ALA HA H 193 4.310 4.310 3.653 0.657 17717 10976 1 11 . 1 1 193 193 ALA CA C 193 52.300 52.300 53.864 -1.565 17717 10977 1 11 . 1 1 193 193 ALA CB C 193 18.000 18.000 17.749 0.251 17717 10978 1 11 . 1 1 193 193 ALA H H 193 8.100 8.100 7.995 0.105 17717 10979 1 11 . 1 1 194 194 LYS N N 194 126.460 126.460 113.966 12.494 17717 10980 1 11 . 1 1 194 194 LYS HA H 194 4.220 4.220 4.330 -0.110 17717 10981 1 11 . 1 1 194 194 LYS CA C 194 56.600 56.600 56.859 -0.260 17717 10982 1 11 . 1 1 194 194 LYS CB C 194 33.000 33.000 34.167 -1.167 17717 10983 1 11 . 1 1 194 194 LYS H H 194 7.860 7.860 7.996 -0.136 17717 10984 1 11 . 1 1 195 195 SER N N 195 117.429 117.429 117.762 -0.333 17717 10985 1 11 . 1 1 195 195 SER HA H 195 4.430 4.430 4.835 -0.405 17717 10986 1 11 . 1 1 195 195 SER CA C 195 58.499 58.499 56.897 1.602 17717 10987 1 11 . 1 1 195 195 SER CB C 195 63.129 63.129 62.341 0.788 17717 10988 1 11 . 1 1 195 195 SER H H 195 8.240 8.240 8.094 0.146 17717 10989 1 11 . 1 1 196 196 HIS N N 196 122.440 122.440 121.636 0.804 17717 10990 1 11 . 1 1 196 196 HIS HA H 196 4.222 4.222 4.530 -0.308 17717 10991 1 11 . 1 1 196 196 HIS CA C 196 55.743 55.743 58.623 -2.880 17717 10992 1 11 . 1 1 196 196 HIS CB C 196 28.566 28.566 29.341 -0.775 17717 10993 1 11 . 1 1 196 196 HIS H H 196 8.044 8.044 8.261 -0.217 17717 10994 1 11 . 1 1 197 197 LEU N N 197 117.429 117.429 120.412 -2.983 17717 10995 1 11 . 1 1 197 197 LEU HA H 197 4.179 4.179 3.924 0.255 17717 10996 1 11 . 1 1 197 197 LEU CA C 197 54.540 54.540 58.058 -3.518 17717 10997 1 11 . 1 1 197 197 LEU CB C 197 40.040 40.040 41.543 -1.503 17717 10998 1 11 . 1 1 197 197 LEU H H 197 8.044 8.044 7.701 0.343 17717 10999 1 11 . 1 1 198 198 LYS N N 198 117.430 117.430 118.437 -1.007 17717 11000 1 11 . 1 1 198 198 LYS HA H 198 4.140 4.140 3.975 0.165 17717 11001 1 11 . 1 1 198 198 LYS CA C 198 57.600 57.600 59.268 -1.668 17717 11002 1 11 . 1 1 198 198 LYS CB C 198 32.000 32.000 31.640 0.360 17717 11003 1 11 . 1 1 198 198 LYS H H 198 7.510 7.510 7.968 -0.458 17717 11004 1 11 . 1 1 199 199 SER N N 199 114.315 114.315 116.355 -2.040 17717 11005 1 11 . 1 1 199 199 SER HA H 199 4.310 4.310 4.128 0.182 17717 11006 1 11 . 1 1 199 199 SER CA C 199 62.000 62.000 61.576 0.424 17717 11007 1 11 . 1 1 199 199 SER CB C 199 63.600 63.600 63.236 0.364 17717 11008 1 11 . 1 1 199 199 SER H H 199 7.930 7.930 7.605 0.325 17717 11009 1 11 . 1 1 200 200 LEU N N 200 124.335 124.335 122.786 1.549 17717 11010 1 11 . 1 1 200 200 LEU HA H 200 4.260 4.260 4.249 0.011 17717 11011 1 11 . 1 1 200 200 LEU CA C 200 55.200 55.200 57.305 -2.105 17717 11012 1 11 . 1 1 200 200 LEU CB C 200 41.200 41.200 41.928 -0.728 17717 11013 1 11 . 1 1 200 200 LEU H H 200 8.170 8.170 7.890 0.280 17717 11014 1 11 . 1 1 201 201 GLY N N 201 109.990 109.990 106.042 3.948 17717 11015 1 11 . 1 1 201 201 GLY CA C 201 44.700 44.700 47.006 -2.306 17717 11016 1 11 . 1 1 201 201 GLY H H 201 8.290 8.290 8.162 0.128 17717 11017 1 11 . 1 1 202 202 GLU N N 202 126.460 126.460 120.896 5.564 17717 11018 1 11 . 1 1 202 202 GLU HA H 202 4.220 4.220 4.235 -0.015 17717 11019 1 11 . 1 1 202 202 GLU CA C 202 56.600 56.600 58.126 -1.526 17717 11020 1 11 . 1 1 202 202 GLU CB C 202 32.800 32.800 30.177 2.623 17717 11021 1 11 . 1 1 202 202 GLU H H 202 7.750 7.750 7.814 -0.064 17717 11022 1 11 . 1 1 203 203 LYS CA C 203 55.775 55.775 55.145 0.630 17717 11023 1 11 . 1 1 203 203 LYS CB C 203 32.283 32.283 32.449 -0.166 17717 11024 1 11 . 1 1 204 204 ALA N N 204 125.390 125.390 122.482 2.908 17717 11025 1 11 . 1 1 204 204 ALA HA H 204 4.310 4.310 4.614 -0.304 17717 11026 1 11 . 1 1 204 204 ALA CA C 204 52.000 52.000 50.963 1.037 17717 11027 1 11 . 1 1 204 204 ALA CB C 204 18.400 18.400 20.982 -2.582 17717 11028 1 11 . 1 1 204 204 ALA H H 204 8.180 8.180 7.288 0.892 17717 11029 1 11 . 1 1 205 205 ARG N N 205 121.150 121.150 119.354 1.796 17717 11030 1 11 . 1 1 205 205 ARG HA H 205 4.270 4.270 4.416 -0.146 17717 11031 1 11 . 1 1 205 205 ARG CA C 205 56.384 56.384 54.780 1.604 17717 11032 1 11 . 1 1 205 205 ARG CB C 205 29.193 29.193 30.103 -0.910 17717 11033 1 11 . 1 1 205 205 ARG H H 205 8.350 8.350 8.513 -0.163 17717 11034 1 11 . 1 1 206 206 PRO CA C 206 62.600 62.600 63.792 -1.192 17717 11035 1 11 . 1 1 206 206 PRO CB C 206 31.400 31.400 30.078 1.322 17717 11036 1 11 . 1 1 207 207 ALA N N 207 125.400 125.400 124.088 1.312 17717 11037 1 11 . 1 1 207 207 ALA HA H 207 4.308 4.308 4.339 -0.031 17717 11038 1 11 . 1 1 207 207 ALA CA C 207 51.700 51.700 53.070 -1.370 17717 11039 1 11 . 1 1 207 207 ALA CB C 207 18.200 18.200 19.999 -1.799 17717 11040 1 11 . 1 1 207 207 ALA H H 207 8.400 8.400 8.432 -0.032 17717 11041 1 11 . 1 1 208 208 LEU N N 208 121.680 121.680 121.277 0.403 17717 11042 1 11 . 1 1 208 208 LEU HA H 208 4.480 4.480 4.185 0.295 17717 11043 1 11 . 1 1 208 208 LEU CA C 208 55.100 55.100 56.923 -1.823 17717 11044 1 11 . 1 1 208 208 LEU CB C 208 41.200 41.200 42.398 -1.198 17717 11045 1 11 . 1 1 208 208 LEU H H 208 8.180 8.180 7.731 0.449 17717 11046 1 11 . 1 1 209 209 GLU N N 209 121.147 121.147 118.994 2.153 17717 11047 1 11 . 1 1 209 209 GLU HA H 209 4.180 4.180 3.918 0.262 17717 11048 1 11 . 1 1 209 209 GLU CA C 209 56.477 56.477 60.136 -3.659 17717 11049 1 11 . 1 1 209 209 GLU CB C 209 29.250 29.250 29.229 0.021 17717 11050 1 11 . 1 1 209 209 GLU H H 209 8.380 8.380 8.475 -0.095 17717 11051 1 11 . 1 1 210 210 ASP N N 210 121.147 121.147 119.521 1.626 17717 11052 1 11 . 1 1 210 210 ASP HA H 210 4.260 4.260 4.691 -0.431 17717 11053 1 11 . 1 1 210 210 ASP CA C 210 55.000 55.000 56.983 -1.983 17717 11054 1 11 . 1 1 210 210 ASP CB C 210 37.200 37.200 40.881 -3.681 17717 11055 1 11 . 1 1 210 210 ASP H H 210 8.280 8.280 7.733 0.547 17717 11056 1 11 . 1 1 211 211 LEU N N 211 122.210 122.210 119.510 2.700 17717 11057 1 11 . 1 1 211 211 LEU HA H 211 4.220 4.220 3.964 0.256 17717 11058 1 11 . 1 1 211 211 LEU CA C 211 57.400 57.400 56.471 0.929 17717 11059 1 11 . 1 1 211 211 LEU CB C 211 39.430 39.430 41.505 -2.075 17717 11060 1 11 . 1 1 211 211 LEU H H 211 8.640 8.640 7.444 1.196 17717 11061 1 11 . 1 1 212 212 ARG N N 212 119.550 119.550 118.434 1.116 17717 11062 1 11 . 1 1 212 212 ARG HA H 212 4.220 4.220 3.903 0.317 17717 11063 1 11 . 1 1 212 212 ARG CA C 212 57.400 57.400 59.181 -1.781 17717 11064 1 11 . 1 1 212 212 ARG CB C 212 29.600 29.600 30.285 -0.685 17717 11065 1 11 . 1 1 212 212 ARG H H 212 7.910 7.910 8.086 -0.176 17717 11066 1 11 . 1 1 213 213 HIS CA C 213 56.200 56.200 57.438 -1.238 17717 11067 1 11 . 1 1 213 213 HIS CB C 213 31.900 31.900 29.979 1.921 17717 11068 1 11 . 1 1 214 214 SER N N 214 116.366 116.366 116.529 -0.163 17717 11069 1 11 . 1 1 214 214 SER HA H 214 4.265 4.265 4.348 -0.083 17717 11070 1 11 . 1 1 214 214 SER CA C 214 61.100 61.100 56.483 4.617 17717 11071 1 11 . 1 1 214 214 SER CB C 214 63.100 63.100 61.913 1.188 17717 11072 1 11 . 1 1 214 214 SER H H 214 8.140 8.140 7.044 1.096 17717 11073 1 11 . 1 1 215 215 LEU N N 215 130.565 130.565 123.650 6.915 17717 11074 1 11 . 1 1 215 215 LEU HA H 215 4.730 4.730 4.352 0.378 17717 11075 1 11 . 1 1 215 215 LEU CA C 215 54.900 54.900 54.960 -0.060 17717 11076 1 11 . 1 1 215 215 LEU CB C 215 42.000 42.000 43.453 -1.453 17717 11077 1 11 . 1 1 215 215 LEU H H 215 7.890 7.890 7.309 0.581 17717 11078 1 12 . 1 1 2 2 GLU N N 2 121.678 121.678 120.181 1.497 17717 11079 1 12 . 1 1 2 2 GLU HA H 2 4.488 4.488 4.464 0.024 17717 11080 1 12 . 1 1 2 2 GLU CA C 2 56.418 56.418 54.917 1.501 17717 11081 1 12 . 1 1 2 2 GLU CB C 2 29.014 29.014 30.518 -1.504 17717 11082 1 12 . 1 1 2 2 GLU H H 2 8.276 8.276 8.362 -0.086 17717 11083 1 12 . 1 1 3 3 PRO CA C 3 62.923 62.923 62.611 0.312 17717 11084 1 12 . 1 1 3 3 PRO CB C 3 31.547 31.547 32.990 -1.444 17717 11085 1 12 . 1 1 4 4 GLN N N 4 121.147 121.147 119.433 1.714 17717 11086 1 12 . 1 1 4 4 GLN HA H 4 4.349 4.349 4.202 0.147 17717 11087 1 12 . 1 1 4 4 GLN CA C 4 55.450 55.450 58.334 -2.884 17717 11088 1 12 . 1 1 4 4 GLN CB C 4 28.854 28.854 28.894 -0.040 17717 11089 1 12 . 1 1 4 4 GLN H H 4 8.500 8.500 8.517 -0.017 17717 11090 1 12 . 1 1 5 5 SER N N 5 117.429 117.429 110.470 6.959 17717 11091 1 12 . 1 1 5 5 SER HA H 5 4.329 4.329 4.001 0.328 17717 11092 1 12 . 1 1 5 5 SER CA C 5 58.100 58.100 58.042 0.058 17717 11093 1 12 . 1 1 5 5 SER CB C 5 63.485 63.485 63.356 0.129 17717 11094 1 12 . 1 1 5 5 SER H H 5 8.370 8.370 8.129 0.241 17717 11095 1 12 . 1 1 6 6 GLN N N 6 123.803 123.803 120.653 3.150 17717 11096 1 12 . 1 1 6 6 GLN CA C 6 56.330 56.330 58.658 -2.328 17717 11097 1 12 . 1 1 6 6 GLN CB C 6 28.800 28.800 28.541 0.259 17717 11098 1 12 . 1 1 6 6 GLN H H 6 8.620 8.620 8.757 -0.137 17717 11099 1 12 . 1 1 7 7 TRP N N 7 119.022 119.022 118.347 0.675 17717 11100 1 12 . 1 1 7 7 TRP HA H 7 4.394 4.394 4.445 -0.051 17717 11101 1 12 . 1 1 7 7 TRP CA C 7 59.800 59.800 59.819 -0.019 17717 11102 1 12 . 1 1 7 7 TRP CB C 7 27.800 27.800 28.506 -0.706 17717 11103 1 12 . 1 1 7 7 TRP H H 7 7.970 7.970 8.261 -0.291 17717 11104 1 12 . 1 1 8 8 ASP N N 8 121.678 121.678 120.354 1.324 17717 11105 1 12 . 1 1 8 8 ASP HA H 8 4.409 4.409 4.137 0.272 17717 11106 1 12 . 1 1 8 8 ASP CA C 8 56.912 56.912 57.536 -0.624 17717 11107 1 12 . 1 1 8 8 ASP CB C 8 38.400 38.400 40.033 -1.633 17717 11108 1 12 . 1 1 8 8 ASP H H 8 8.440 8.440 6.907 1.533 17717 11109 1 12 . 1 1 9 9 LYS N N 9 120.616 120.616 120.578 0.038 17717 11110 1 12 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.078 0.012 17717 11111 1 12 . 1 1 9 9 LYS CA C 9 58.277 58.277 59.230 -0.953 17717 11112 1 12 . 1 1 9 9 LYS CB C 9 31.550 31.550 32.641 -1.091 17717 11113 1 12 . 1 1 9 9 LYS H H 9 7.830 7.830 7.256 0.574 17717 11114 1 12 . 1 1 10 10 VAL N N 10 118.491 118.491 114.882 3.609 17717 11115 1 12 . 1 1 10 10 VAL HA H 10 3.830 3.830 4.209 -0.379 17717 11116 1 12 . 1 1 10 10 VAL CA C 10 65.630 65.630 66.606 -0.977 17717 11117 1 12 . 1 1 10 10 VAL CB C 10 31.300 31.300 31.321 -0.021 17717 11118 1 12 . 1 1 10 10 VAL H H 10 7.160 7.160 7.879 -0.719 17717 11119 1 12 . 1 1 11 11 LYS N N 11 122.210 122.210 118.703 3.507 17717 11120 1 12 . 1 1 11 11 LYS HA H 11 3.880 3.880 3.909 -0.029 17717 11121 1 12 . 1 1 11 11 LYS CA C 11 59.460 59.460 59.264 0.196 17717 11122 1 12 . 1 1 11 11 LYS CB C 11 31.200 31.200 32.091 -0.891 17717 11123 1 12 . 1 1 11 11 LYS H H 11 8.660 8.660 7.678 0.982 17717 11124 1 12 . 1 1 12 12 ASP N N 12 119.553 119.553 120.134 -0.581 17717 11125 1 12 . 1 1 12 12 ASP HA H 12 4.140 4.140 4.320 -0.180 17717 11126 1 12 . 1 1 12 12 ASP CA C 12 57.381 57.381 57.412 -0.031 17717 11127 1 12 . 1 1 12 12 ASP CB C 12 39.800 39.800 40.981 -1.181 17717 11128 1 12 . 1 1 12 12 ASP H H 12 7.790 7.790 7.594 0.196 17717 11129 1 12 . 1 1 13 13 PHE N N 13 116.500 116.500 118.502 -2.002 17717 11130 1 12 . 1 1 13 13 PHE HA H 13 4.690 4.690 4.230 0.460 17717 11131 1 12 . 1 1 13 13 PHE CA C 13 58.662 58.662 60.367 -1.704 17717 11132 1 12 . 1 1 13 13 PHE CB C 13 38.700 38.700 37.880 0.820 17717 11133 1 12 . 1 1 13 13 PHE H H 13 7.680 7.680 7.766 -0.086 17717 11134 1 12 . 1 1 14 14 ALA N N 14 122.209 122.209 122.651 -0.442 17717 11135 1 12 . 1 1 14 14 ALA HA H 14 4.008 4.008 3.791 0.217 17717 11136 1 12 . 1 1 14 14 ALA CA C 14 54.550 54.550 54.628 -0.078 17717 11137 1 12 . 1 1 14 14 ALA CB C 14 17.250 17.250 17.943 -0.693 17717 11138 1 12 . 1 1 14 14 ALA H H 14 8.760 8.760 7.217 1.543 17717 11139 1 12 . 1 1 15 15 ASN N N 15 119.553 119.553 115.362 4.191 17717 11140 1 12 . 1 1 15 15 ASN HA H 15 4.520 4.520 4.346 0.174 17717 11141 1 12 . 1 1 15 15 ASN CA C 15 56.084 56.084 54.955 1.129 17717 11142 1 12 . 1 1 15 15 ASN CB C 15 38.544 38.544 38.502 0.042 17717 11143 1 12 . 1 1 15 15 ASN H H 15 8.930 8.930 7.479 1.451 17717 11144 1 12 . 1 1 16 16 VAL N N 16 116.897 116.897 121.583 -4.686 17717 11145 1 12 . 1 1 16 16 VAL HA H 16 3.590 3.590 3.553 0.037 17717 11146 1 12 . 1 1 16 16 VAL CA C 16 64.600 64.600 67.864 -3.264 17717 11147 1 12 . 1 1 16 16 VAL CB C 16 31.800 31.800 31.728 0.072 17717 11148 1 12 . 1 1 16 16 VAL H H 16 7.870 7.870 7.456 0.414 17717 11149 1 12 . 1 1 17 17 TYR N N 17 112.116 112.116 117.855 -5.739 17717 11150 1 12 . 1 1 17 17 TYR HA H 17 4.751 4.751 4.346 0.405 17717 11151 1 12 . 1 1 17 17 TYR CA C 17 59.040 59.040 60.858 -1.818 17717 11152 1 12 . 1 1 17 17 TYR CB C 17 39.060 39.060 37.245 1.815 17717 11153 1 12 . 1 1 17 17 TYR H H 17 8.000 8.000 8.157 -0.157 17717 11154 1 12 . 1 1 18 18 VAL N N 18 114.241 114.241 120.443 -6.202 17717 11155 1 12 . 1 1 18 18 VAL HA H 18 4.220 4.220 3.384 0.836 17717 11156 1 12 . 1 1 18 18 VAL CA C 18 63.520 63.520 66.379 -2.859 17717 11157 1 12 . 1 1 18 18 VAL CB C 18 31.128 31.128 31.364 -0.236 17717 11158 1 12 . 1 1 18 18 VAL H H 18 7.600 7.600 6.820 0.780 17717 11159 1 12 . 1 1 19 19 ASP N N 19 123.272 123.272 119.996 3.276 17717 11160 1 12 . 1 1 19 19 ASP HA H 19 4.523 4.523 4.318 0.205 17717 11161 1 12 . 1 1 19 19 ASP CA C 19 56.445 56.445 57.469 -1.024 17717 11162 1 12 . 1 1 19 19 ASP CB C 19 38.700 38.700 41.001 -2.301 17717 11163 1 12 . 1 1 19 19 ASP H H 19 8.890 8.890 8.079 0.811 17717 11164 1 12 . 1 1 20 20 ALA N N 20 118.491 118.491 122.831 -4.340 17717 11165 1 12 . 1 1 20 20 ALA HA H 20 4.230 4.230 4.270 -0.040 17717 11166 1 12 . 1 1 20 20 ALA CA C 20 54.100 54.100 55.362 -1.262 17717 11167 1 12 . 1 1 20 20 ALA CB C 20 18.760 18.760 18.986 -0.226 17717 11168 1 12 . 1 1 20 20 ALA H H 20 6.630 6.630 7.555 -0.925 17717 11169 1 12 . 1 1 21 21 VAL N N 21 116.897 116.897 116.686 0.211 17717 11170 1 12 . 1 1 21 21 VAL HA H 21 3.664 3.664 3.311 0.353 17717 11171 1 12 . 1 1 21 21 VAL CA C 21 66.200 66.200 65.522 0.678 17717 11172 1 12 . 1 1 21 21 VAL CB C 21 30.460 30.460 31.244 -0.784 17717 11173 1 12 . 1 1 21 21 VAL H H 21 7.410 7.410 7.616 -0.206 17717 11174 1 12 . 1 1 22 22 LYS N N 22 121.147 121.147 120.182 0.965 17717 11175 1 12 . 1 1 22 22 LYS HA H 22 4.222 4.222 3.995 0.227 17717 11176 1 12 . 1 1 22 22 LYS CA C 22 59.300 59.300 59.125 0.175 17717 11177 1 12 . 1 1 22 22 LYS CB C 22 31.100 31.100 31.994 -0.894 17717 11178 1 12 . 1 1 22 22 LYS H H 22 8.180 8.180 8.086 0.094 17717 11179 1 12 . 1 1 23 23 ASP N N 23 121.278 121.278 119.106 2.172 17717 11180 1 12 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.500 0.066 17717 11181 1 12 . 1 1 23 23 ASP CA C 23 56.300 56.300 56.942 -0.642 17717 11182 1 12 . 1 1 23 23 ASP CB C 23 38.800 38.800 40.654 -1.854 17717 11183 1 12 . 1 1 23 23 ASP H H 23 8.860 8.860 7.910 0.950 17717 11184 1 12 . 1 1 24 24 SER N N 24 118.491 118.491 115.113 3.378 17717 11185 1 12 . 1 1 24 24 SER HA H 24 4.132 4.132 3.827 0.305 17717 11186 1 12 . 1 1 24 24 SER CA C 24 61.600 61.600 60.704 0.896 17717 11187 1 12 . 1 1 24 24 SER CB C 24 62.442 62.442 62.096 0.346 17717 11188 1 12 . 1 1 24 24 SER H H 24 7.950 7.950 8.102 -0.152 17717 11189 1 12 . 1 1 25 25 GLY N N 25 108.377 108.377 110.890 -2.513 17717 11190 1 12 . 1 1 25 25 GLY CA C 25 44.400 44.400 46.701 -2.301 17717 11191 1 12 . 1 1 25 25 GLY H H 25 7.560 7.560 7.669 -0.109 17717 11192 1 12 . 1 1 26 26 ARG N N 26 124.240 124.240 121.448 2.792 17717 11193 1 12 . 1 1 26 26 ARG HA H 26 4.303 4.303 4.167 0.136 17717 11194 1 12 . 1 1 26 26 ARG CA C 26 54.000 54.000 58.410 -4.410 17717 11195 1 12 . 1 1 26 26 ARG CB C 26 28.240 28.240 29.916 -1.677 17717 11196 1 12 . 1 1 26 26 ARG H H 26 8.200 8.200 7.728 0.472 17717 11197 1 12 . 1 1 27 27 ASP N N 27 121.678 121.678 119.160 2.518 17717 11198 1 12 . 1 1 27 27 ASP HA H 27 4.211 4.211 4.543 -0.332 17717 11199 1 12 . 1 1 27 27 ASP CA C 27 58.380 58.380 56.910 1.470 17717 11200 1 12 . 1 1 27 27 ASP CB C 27 40.400 40.400 41.526 -1.126 17717 11201 1 12 . 1 1 27 27 ASP H H 27 7.880 7.880 7.689 0.191 17717 11202 1 12 . 1 1 28 28 TYR N N 28 121.440 121.440 121.803 -0.363 17717 11203 1 12 . 1 1 28 28 TYR HA H 28 4.480 4.480 4.378 0.102 17717 11204 1 12 . 1 1 28 28 TYR CA C 28 57.800 57.800 60.753 -2.953 17717 11205 1 12 . 1 1 28 28 TYR CB C 28 38.322 38.322 38.709 -0.387 17717 11206 1 12 . 1 1 28 28 TYR H H 28 8.020 8.020 8.227 -0.207 17717 11207 1 12 . 1 1 29 29 VAL N N 29 123.272 123.272 118.648 4.624 17717 11208 1 12 . 1 1 29 29 VAL HA H 29 4.040 4.040 3.422 0.618 17717 11209 1 12 . 1 1 29 29 VAL CA C 29 66.400 66.400 64.839 1.561 17717 11210 1 12 . 1 1 29 29 VAL CB C 29 30.500 30.500 30.919 -0.419 17717 11211 1 12 . 1 1 29 29 VAL H H 29 8.280 8.280 8.012 0.268 17717 11212 1 12 . 1 1 30 30 SER N N 30 117.429 117.429 116.049 1.380 17717 11213 1 12 . 1 1 30 30 SER HA H 30 4.000 4.000 4.094 -0.094 17717 11214 1 12 . 1 1 30 30 SER CA C 30 61.070 61.070 61.911 -0.841 17717 11215 1 12 . 1 1 30 30 SER CB C 30 62.000 62.000 62.796 -0.796 17717 11216 1 12 . 1 1 30 30 SER H H 30 8.930 8.930 7.537 1.393 17717 11217 1 12 . 1 1 31 31 GLN N N 31 121.147 121.147 121.413 -0.266 17717 11218 1 12 . 1 1 31 31 GLN HA H 31 4.136 4.136 4.024 0.112 17717 11219 1 12 . 1 1 31 31 GLN CA C 31 58.210 58.210 58.646 -0.436 17717 11220 1 12 . 1 1 31 31 GLN CB C 31 27.600 27.600 28.350 -0.750 17717 11221 1 12 . 1 1 31 31 GLN H H 31 7.740 7.740 7.454 0.286 17717 11222 1 12 . 1 1 32 32 PHE N N 32 117.429 117.429 120.079 -2.650 17717 11223 1 12 . 1 1 32 32 PHE HA H 32 4.020 4.020 4.167 -0.147 17717 11224 1 12 . 1 1 32 32 PHE CA C 32 60.600 60.600 61.377 -0.777 17717 11225 1 12 . 1 1 32 32 PHE CB C 32 36.896 36.896 38.756 -1.860 17717 11226 1 12 . 1 1 32 32 PHE H H 32 7.200 7.200 7.688 -0.488 17717 11227 1 12 . 1 1 33 33 GLU N N 33 122.210 122.210 118.393 3.817 17717 11228 1 12 . 1 1 33 33 GLU HA H 33 4.769 4.769 3.589 1.180 17717 11229 1 12 . 1 1 33 33 GLU CA C 33 59.220 59.220 58.834 0.386 17717 11230 1 12 . 1 1 33 33 GLU CB C 33 29.240 29.240 29.054 0.186 17717 11231 1 12 . 1 1 33 33 GLU H H 33 8.160 8.160 7.812 0.348 17717 11232 1 12 . 1 1 34 34 SER N N 34 109.991 109.991 113.778 -3.787 17717 11233 1 12 . 1 1 34 34 SER HA H 34 4.309 4.309 4.270 0.039 17717 11234 1 12 . 1 1 34 34 SER CA C 34 58.240 58.240 60.840 -2.600 17717 11235 1 12 . 1 1 34 34 SER CB C 34 63.260 63.260 62.951 0.309 17717 11236 1 12 . 1 1 34 34 SER H H 34 7.890 7.890 7.743 0.147 17717 11237 1 12 . 1 1 35 35 SER N N 35 120.085 120.085 118.528 1.557 17717 11238 1 12 . 1 1 35 35 SER HA H 35 4.354 4.354 4.141 0.213 17717 11239 1 12 . 1 1 35 35 SER CA C 35 58.100 58.100 62.004 -3.904 17717 11240 1 12 . 1 1 35 35 SER CB C 35 64.398 64.398 62.983 1.415 17717 11241 1 12 . 1 1 35 35 SER H H 35 7.420 7.420 8.007 -0.587 17717 11242 1 12 . 1 1 36 36 SER N N 36 116.130 116.130 118.704 -2.574 17717 11243 1 12 . 1 1 36 36 SER HA H 36 4.350 4.350 4.099 0.251 17717 11244 1 12 . 1 1 36 36 SER CA C 36 58.600 58.600 61.909 -3.309 17717 11245 1 12 . 1 1 36 36 SER CB C 36 63.370 63.370 62.844 0.526 17717 11246 1 12 . 1 1 36 36 SER H H 36 8.100 8.100 7.595 0.505 17717 11247 1 12 . 1 1 37 37 LEU N N 37 121.678 121.678 121.542 0.136 17717 11248 1 12 . 1 1 37 37 LEU HA H 37 4.222 4.222 4.078 0.144 17717 11249 1 12 . 1 1 37 37 LEU CA C 37 56.400 56.400 57.043 -0.643 17717 11250 1 12 . 1 1 37 37 LEU CB C 37 41.200 41.200 41.817 -0.617 17717 11251 1 12 . 1 1 37 37 LEU H H 37 8.290 8.290 7.421 0.869 17717 11252 1 12 . 1 1 38 38 GLY N N 38 108.400 108.400 104.692 3.708 17717 11253 1 12 . 1 1 38 38 GLY CA C 38 46.220 46.220 46.492 -0.272 17717 11254 1 12 . 1 1 38 38 GLY H H 38 7.280 7.280 8.069 -0.789 17717 11255 1 12 . 1 1 39 39 GLN N N 39 120.920 120.920 122.381 -1.461 17717 11256 1 12 . 1 1 39 39 GLN HA H 39 4.092 4.092 3.966 0.126 17717 11257 1 12 . 1 1 39 39 GLN CA C 39 57.423 57.423 58.658 -1.235 17717 11258 1 12 . 1 1 39 39 GLN CB C 39 28.847 28.847 28.396 0.451 17717 11259 1 12 . 1 1 39 39 GLN H H 39 8.360 8.360 7.847 0.513 17717 11260 1 12 . 1 1 40 40 GLN N N 40 118.648 118.648 119.059 -0.411 17717 11261 1 12 . 1 1 40 40 GLN HA H 40 4.040 4.040 4.032 0.008 17717 11262 1 12 . 1 1 40 40 GLN CA C 40 57.471 57.471 58.498 -1.027 17717 11263 1 12 . 1 1 40 40 GLN CB C 40 28.777 28.777 28.375 0.402 17717 11264 1 12 . 1 1 40 40 GLN H H 40 7.630 7.630 7.641 -0.011 17717 11265 1 12 . 1 1 41 41 LEU N N 41 116.800 116.800 121.760 -4.960 17717 11266 1 12 . 1 1 41 41 LEU HA H 41 4.222 4.222 3.964 0.258 17717 11267 1 12 . 1 1 41 41 LEU CA C 41 55.400 55.400 58.088 -2.688 17717 11268 1 12 . 1 1 41 41 LEU CB C 41 41.754 41.754 41.991 -0.237 17717 11269 1 12 . 1 1 41 41 LEU H H 41 8.010 8.010 7.854 0.156 17717 11270 1 12 . 1 1 42 42 ASN N N 42 115.840 115.840 117.529 -1.689 17717 11271 1 12 . 1 1 42 42 ASN HA H 42 4.485 4.485 4.411 0.074 17717 11272 1 12 . 1 1 42 42 ASN CA C 42 53.500 53.500 56.227 -2.727 17717 11273 1 12 . 1 1 42 42 ASN CB C 42 37.000 37.000 38.610 -1.610 17717 11274 1 12 . 1 1 42 42 ASN H H 42 7.840 7.840 7.716 0.124 17717 11275 1 12 . 1 1 43 43 LEU N N 43 118.490 118.490 120.599 -2.109 17717 11276 1 12 . 1 1 43 43 LEU HA H 43 4.480 4.480 4.339 0.141 17717 11277 1 12 . 1 1 43 43 LEU CA C 43 55.502 55.502 57.817 -2.315 17717 11278 1 12 . 1 1 43 43 LEU CB C 43 41.200 41.200 41.313 -0.113 17717 11279 1 12 . 1 1 43 43 LEU H H 43 9.670 9.670 8.016 1.654 17717 11280 1 12 . 1 1 44 44 ASN N N 44 119.553 119.553 117.108 2.445 17717 11281 1 12 . 1 1 44 44 ASN HA H 44 4.520 4.520 4.453 0.067 17717 11282 1 12 . 1 1 44 44 ASN CA C 44 52.770 52.770 56.420 -3.650 17717 11283 1 12 . 1 1 44 44 ASN CB C 44 36.200 36.200 38.488 -2.288 17717 11284 1 12 . 1 1 44 44 ASN H H 44 8.950 8.950 8.001 0.949 17717 11285 1 12 . 1 1 45 45 LEU N N 45 119.553 119.553 117.768 1.785 17717 11286 1 12 . 1 1 45 45 LEU HA H 45 4.048 4.048 4.309 -0.261 17717 11287 1 12 . 1 1 45 45 LEU CA C 45 55.569 55.569 58.003 -2.434 17717 11288 1 12 . 1 1 45 45 LEU CB C 45 41.250 41.250 41.582 -0.332 17717 11289 1 12 . 1 1 45 45 LEU H H 45 8.970 8.970 7.732 1.238 17717 11290 1 12 . 1 1 46 46 LEU N N 46 116.900 116.900 118.969 -2.069 17717 11291 1 12 . 1 1 46 46 LEU HA H 46 4.351 4.351 4.177 0.174 17717 11292 1 12 . 1 1 46 46 LEU CA C 46 54.684 54.684 57.597 -2.913 17717 11293 1 12 . 1 1 46 46 LEU CB C 46 39.800 39.800 42.156 -2.356 17717 11294 1 12 . 1 1 46 46 LEU H H 46 8.450 8.450 7.194 1.256 17717 11295 1 12 . 1 1 47 47 GLU N N 47 122.741 122.741 117.745 4.996 17717 11296 1 12 . 1 1 47 47 GLU HA H 47 4.018 4.018 4.090 -0.072 17717 11297 1 12 . 1 1 47 47 GLU CA C 47 58.280 58.280 59.062 -0.783 17717 11298 1 12 . 1 1 47 47 GLU CB C 47 28.800 28.800 29.636 -0.836 17717 11299 1 12 . 1 1 47 47 GLU H H 47 7.490 7.490 7.820 -0.330 17717 11300 1 12 . 1 1 48 48 ASN N N 48 117.200 117.200 118.883 -1.683 17717 11301 1 12 . 1 1 48 48 ASN HA H 48 4.300 4.300 4.484 -0.184 17717 11302 1 12 . 1 1 48 48 ASN CA C 48 53.550 53.550 55.816 -2.266 17717 11303 1 12 . 1 1 48 48 ASN CB C 48 38.490 38.490 38.415 0.075 17717 11304 1 12 . 1 1 48 48 ASN H H 48 8.450 8.450 8.543 -0.093 17717 11305 1 12 . 1 1 49 49 TRP N N 49 119.320 119.320 119.278 0.042 17717 11306 1 12 . 1 1 49 49 TRP HA H 49 4.300 4.300 4.391 -0.091 17717 11307 1 12 . 1 1 49 49 TRP CA C 49 56.200 56.200 59.878 -3.678 17717 11308 1 12 . 1 1 49 49 TRP CB C 49 27.800 27.800 29.569 -1.769 17717 11309 1 12 . 1 1 49 49 TRP H H 49 8.050 8.050 7.715 0.335 17717 11310 1 12 . 1 1 50 50 ASP N N 50 124.860 124.860 114.430 10.430 17717 11311 1 12 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.594 0.096 17717 11312 1 12 . 1 1 50 50 ASP CA C 50 54.180 54.180 54.951 -0.771 17717 11313 1 12 . 1 1 50 50 ASP CB C 50 40.318 40.318 41.566 -1.248 17717 11314 1 12 . 1 1 50 50 ASP H H 50 8.470 8.470 8.130 0.340 17717 11315 1 12 . 1 1 51 51 THR N N 51 114.240 114.240 116.083 -1.843 17717 11316 1 12 . 1 1 51 51 THR HA H 51 4.250 4.250 4.107 0.143 17717 11317 1 12 . 1 1 51 51 THR CA C 51 61.800 61.800 64.528 -2.728 17717 11318 1 12 . 1 1 51 51 THR CB C 51 69.000 69.000 69.442 -0.442 17717 11319 1 12 . 1 1 51 51 THR H H 51 7.920 7.920 8.168 -0.248 17717 11320 1 12 . 1 1 52 52 LEU N N 52 124.335 124.335 120.331 4.004 17717 11321 1 12 . 1 1 52 52 LEU HA H 52 4.261 4.261 4.061 0.200 17717 11322 1 12 . 1 1 52 52 LEU CA C 52 54.800 54.800 55.821 -1.021 17717 11323 1 12 . 1 1 52 52 LEU CB C 52 41.200 41.200 40.988 0.212 17717 11324 1 12 . 1 1 52 52 LEU H H 52 8.000 8.000 8.120 -0.120 17717 11325 1 12 . 1 1 53 53 GLY N N 53 109.991 109.991 110.345 -0.354 17717 11326 1 12 . 1 1 53 53 GLY CA C 53 44.700 44.700 44.941 -0.240 17717 11327 1 12 . 1 1 53 53 GLY H H 53 8.450 8.450 7.944 0.506 17717 11328 1 12 . 1 1 54 54 SER N N 54 113.710 113.710 118.014 -4.304 17717 11329 1 12 . 1 1 54 54 SER HA H 54 4.480 4.480 4.509 -0.029 17717 11330 1 12 . 1 1 54 54 SER CA C 54 57.300 57.300 58.933 -1.633 17717 11331 1 12 . 1 1 54 54 SER CB C 54 63.100 63.100 63.765 -0.665 17717 11332 1 12 . 1 1 54 54 SER H H 54 8.060 8.060 8.369 -0.309 17717 11333 1 12 . 1 1 55 55 THR N N 55 116.897 116.897 119.106 -2.209 17717 11334 1 12 . 1 1 55 55 THR HA H 55 4.044 4.044 4.653 -0.609 17717 11335 1 12 . 1 1 55 55 THR CA C 55 61.700 61.700 60.778 0.922 17717 11336 1 12 . 1 1 55 55 THR CB C 55 69.800 69.800 70.715 -0.915 17717 11337 1 12 . 1 1 55 55 THR H H 55 8.210 8.210 8.213 -0.003 17717 11338 1 12 . 1 1 56 56 VAL N N 56 123.300 123.300 117.475 5.825 17717 11339 1 12 . 1 1 56 56 VAL HA H 56 3.793 3.793 4.503 -0.710 17717 11340 1 12 . 1 1 56 56 VAL CA C 56 66.384 66.384 60.306 6.078 17717 11341 1 12 . 1 1 56 56 VAL CB C 56 30.268 30.268 31.689 -1.421 17717 11342 1 12 . 1 1 56 56 VAL H H 56 8.280 8.280 8.196 0.084 17717 11343 1 12 . 1 1 57 57 SER N N 57 117.429 117.429 115.748 1.681 17717 11344 1 12 . 1 1 57 57 SER HA H 57 4.136 4.136 4.185 -0.049 17717 11345 1 12 . 1 1 57 57 SER CA C 57 61.100 61.100 60.926 0.174 17717 11346 1 12 . 1 1 57 57 SER CB C 57 62.800 62.800 63.436 -0.636 17717 11347 1 12 . 1 1 57 57 SER H H 57 7.850 7.850 8.564 -0.714 17717 11348 1 12 . 1 1 58 58 GLN N N 58 128.580 128.580 114.431 14.149 17717 11349 1 12 . 1 1 58 58 GLN HA H 58 4.260 4.260 4.417 -0.157 17717 11350 1 12 . 1 1 58 58 GLN CA C 58 56.642 56.642 57.308 -0.666 17717 11351 1 12 . 1 1 58 58 GLN CB C 58 29.023 29.023 29.038 -0.015 17717 11352 1 12 . 1 1 58 58 GLN H H 58 7.990 7.990 8.104 -0.114 17717 11353 1 12 . 1 1 59 59 LEU N N 59 122.210 122.210 119.656 2.554 17717 11354 1 12 . 1 1 59 59 LEU HA H 59 4.310 4.310 3.926 0.384 17717 11355 1 12 . 1 1 59 59 LEU CA C 59 55.300 55.300 58.507 -3.207 17717 11356 1 12 . 1 1 59 59 LEU CB C 59 41.160 41.160 40.867 0.293 17717 11357 1 12 . 1 1 59 59 LEU H H 59 8.050 8.050 8.164 -0.114 17717 11358 1 12 . 1 1 60 60 GLN N N 60 120.085 120.085 118.421 1.664 17717 11359 1 12 . 1 1 60 60 GLN HA H 60 4.222 4.222 4.025 0.197 17717 11360 1 12 . 1 1 60 60 GLN CA C 60 55.960 55.960 59.193 -3.233 17717 11361 1 12 . 1 1 60 60 GLN CB C 60 27.900 27.900 28.234 -0.334 17717 11362 1 12 . 1 1 60 60 GLN H H 60 8.210 8.210 8.505 -0.295 17717 11363 1 12 . 1 1 61 61 GLU N N 61 120.920 120.920 118.979 1.941 17717 11364 1 12 . 1 1 61 61 GLU HA H 61 4.216 4.216 3.979 0.237 17717 11365 1 12 . 1 1 61 61 GLU CA C 61 56.900 56.900 59.300 -2.401 17717 11366 1 12 . 1 1 61 61 GLU CB C 61 28.500 28.500 29.380 -0.880 17717 11367 1 12 . 1 1 61 61 GLU H H 61 8.590 8.590 8.489 0.101 17717 11368 1 12 . 1 1 62 62 ARG N N 62 118.833 118.833 117.754 1.079 17717 11369 1 12 . 1 1 62 62 ARG HA H 62 4.161 4.161 4.227 -0.066 17717 11370 1 12 . 1 1 62 62 ARG CA C 62 58.030 58.030 57.316 0.714 17717 11371 1 12 . 1 1 62 62 ARG CB C 62 29.400 29.400 30.108 -0.708 17717 11372 1 12 . 1 1 62 62 ARG H H 62 7.680 7.680 8.268 -0.588 17717 11373 1 12 . 1 1 63 63 LEU N N 63 118.790 118.790 120.716 -1.926 17717 11374 1 12 . 1 1 63 63 LEU HA H 63 4.100 4.100 4.081 0.019 17717 11375 1 12 . 1 1 63 63 LEU CA C 63 56.360 56.360 57.540 -1.180 17717 11376 1 12 . 1 1 63 63 LEU CB C 63 41.130 41.130 41.331 -0.201 17717 11377 1 12 . 1 1 63 63 LEU H H 63 8.320 8.320 7.787 0.533 17717 11378 1 12 . 1 1 64 64 GLY N N 64 104.679 104.679 108.118 -3.439 17717 11379 1 12 . 1 1 64 64 GLY CA C 64 44.145 44.145 48.067 -3.922 17717 11380 1 12 . 1 1 64 64 GLY H H 64 7.220 7.220 8.340 -1.120 17717 11381 1 12 . 1 1 65 65 PRO CA C 65 62.817 62.817 64.839 -2.022 17717 11382 1 12 . 1 1 65 65 PRO CB C 65 31.290 31.290 31.407 -0.117 17717 11383 1 12 . 1 1 66 66 LEU N N 66 124.866 124.866 120.995 3.871 17717 11384 1 12 . 1 1 66 66 LEU HA H 66 4.609 4.609 4.344 0.265 17717 11385 1 12 . 1 1 66 66 LEU CA C 66 52.900 52.900 58.658 -5.758 17717 11386 1 12 . 1 1 66 66 LEU CB C 66 43.200 43.200 41.161 2.039 17717 11387 1 12 . 1 1 66 66 LEU H H 66 8.550 8.550 7.970 0.580 17717 11388 1 12 . 1 1 67 67 THR N N 67 112.116 112.116 113.149 -1.033 17717 11389 1 12 . 1 1 67 67 THR HA H 67 4.824 4.824 4.462 0.362 17717 11390 1 12 . 1 1 67 67 THR CA C 67 59.240 59.240 66.171 -6.931 17717 11391 1 12 . 1 1 67 67 THR CB C 67 71.550 71.550 68.858 2.692 17717 11392 1 12 . 1 1 67 67 THR H H 67 7.650 7.650 7.964 -0.314 17717 11393 1 12 . 1 1 68 68 ARG N N 68 120.085 120.085 120.296 -0.211 17717 11394 1 12 . 1 1 68 68 ARG HA H 68 4.230 4.230 3.976 0.254 17717 11395 1 12 . 1 1 68 68 ARG CA C 68 58.600 58.600 59.185 -0.585 17717 11396 1 12 . 1 1 68 68 ARG CB C 68 28.900 28.900 30.011 -1.111 17717 11397 1 12 . 1 1 68 68 ARG H H 68 8.950 8.950 7.590 1.360 17717 11398 1 12 . 1 1 69 69 ASP N N 69 116.366 116.366 120.144 -3.778 17717 11399 1 12 . 1 1 69 69 ASP HA H 69 4.249 4.249 4.373 -0.124 17717 11400 1 12 . 1 1 69 69 ASP CA C 69 56.100 56.100 58.441 -2.341 17717 11401 1 12 . 1 1 69 69 ASP CB C 69 39.550 39.550 40.755 -1.205 17717 11402 1 12 . 1 1 69 69 ASP H H 69 8.100 8.100 7.866 0.234 17717 11403 1 12 . 1 1 70 70 PHE N N 70 119.553 119.553 118.858 0.695 17717 11404 1 12 . 1 1 70 70 PHE HA H 70 4.090 4.090 3.937 0.153 17717 11405 1 12 . 1 1 70 70 PHE CA C 70 60.700 60.700 59.298 1.402 17717 11406 1 12 . 1 1 70 70 PHE CB C 70 38.100 38.100 37.681 0.419 17717 11407 1 12 . 1 1 70 70 PHE H H 70 7.420 7.420 7.177 0.243 17717 11408 1 12 . 1 1 71 71 TRP N N 71 120.085 120.085 122.484 -2.399 17717 11409 1 12 . 1 1 71 71 TRP HA H 71 4.044 4.044 3.260 0.784 17717 11410 1 12 . 1 1 71 71 TRP CA C 71 58.100 58.100 61.798 -3.698 17717 11411 1 12 . 1 1 71 71 TRP CB C 71 28.100 28.100 28.765 -0.665 17717 11412 1 12 . 1 1 71 71 TRP H H 71 6.950 6.950 7.132 -0.182 17717 11413 1 12 . 1 1 72 72 ASP N N 72 121.450 121.450 117.574 3.876 17717 11414 1 12 . 1 1 72 72 ASP HA H 72 4.310 4.310 3.383 0.927 17717 11415 1 12 . 1 1 72 72 ASP CA C 72 55.350 55.350 56.966 -1.616 17717 11416 1 12 . 1 1 72 72 ASP CB C 72 40.000 40.000 40.481 -0.481 17717 11417 1 12 . 1 1 72 72 ASP H H 72 8.350 8.350 7.780 0.570 17717 11418 1 12 . 1 1 73 73 ASN N N 73 117.200 117.200 118.370 -1.170 17717 11419 1 12 . 1 1 73 73 ASN HA H 73 4.220 4.220 4.365 -0.145 17717 11420 1 12 . 1 1 73 73 ASN CA C 73 54.500 54.500 56.496 -1.996 17717 11421 1 12 . 1 1 73 73 ASN CB C 73 40.000 40.000 38.887 1.113 17717 11422 1 12 . 1 1 73 73 ASN H H 73 7.700 7.700 7.636 0.064 17717 11423 1 12 . 1 1 74 74 LEU N N 74 123.600 123.600 119.947 3.653 17717 11424 1 12 . 1 1 74 74 LEU HA H 74 4.350 4.350 4.392 -0.042 17717 11425 1 12 . 1 1 74 74 LEU CA C 74 54.700 54.700 57.676 -2.976 17717 11426 1 12 . 1 1 74 74 LEU CB C 74 41.400 41.400 42.212 -0.812 17717 11427 1 12 . 1 1 74 74 LEU H H 74 8.330 8.330 8.454 -0.124 17717 11428 1 12 . 1 1 75 75 GLU N N 75 121.400 121.400 120.644 0.756 17717 11429 1 12 . 1 1 75 75 GLU HA H 75 4.000 4.000 3.782 0.218 17717 11430 1 12 . 1 1 75 75 GLU CA C 75 58.200 58.200 59.116 -0.916 17717 11431 1 12 . 1 1 75 75 GLU CB C 75 28.400 28.400 28.732 -0.332 17717 11432 1 12 . 1 1 75 75 GLU H H 75 8.600 8.600 8.279 0.321 17717 11433 1 12 . 1 1 76 76 LYS N N 76 118.000 118.000 118.741 -0.741 17717 11434 1 12 . 1 1 76 76 LYS HA H 76 4.117 4.117 4.092 0.025 17717 11435 1 12 . 1 1 76 76 LYS CA C 76 58.400 58.400 58.990 -0.590 17717 11436 1 12 . 1 1 76 76 LYS CB C 76 32.480 32.480 32.468 0.012 17717 11437 1 12 . 1 1 76 76 LYS H H 76 7.690 7.690 7.357 0.333 17717 11438 1 12 . 1 1 77 77 GLU N N 77 115.835 115.835 119.030 -3.195 17717 11439 1 12 . 1 1 77 77 GLU HA H 77 4.310 4.310 3.946 0.364 17717 11440 1 12 . 1 1 77 77 GLU CA C 77 54.785 54.785 60.131 -5.346 17717 11441 1 12 . 1 1 77 77 GLU CB C 77 28.355 28.355 29.409 -1.054 17717 11442 1 12 . 1 1 77 77 GLU H H 77 8.290 8.290 7.778 0.512 17717 11443 1 12 . 1 1 78 78 THR N N 78 120.300 120.300 112.455 7.845 17717 11444 1 12 . 1 1 78 78 THR HA H 78 4.410 4.410 3.860 0.550 17717 11445 1 12 . 1 1 78 78 THR CA C 78 68.100 68.100 66.455 1.645 17717 11446 1 12 . 1 1 78 78 THR CB C 78 69.451 69.451 68.645 0.806 17717 11447 1 12 . 1 1 78 78 THR H H 78 7.490 7.490 8.237 -0.747 17717 11448 1 12 . 1 1 79 79 ASP N N 79 120.085 120.085 121.844 -1.759 17717 11449 1 12 . 1 1 79 79 ASP HA H 79 4.480 4.480 4.334 0.146 17717 11450 1 12 . 1 1 79 79 ASP CA C 79 57.426 57.426 57.202 0.224 17717 11451 1 12 . 1 1 79 79 ASP CB C 79 39.240 39.240 40.754 -1.514 17717 11452 1 12 . 1 1 79 79 ASP H H 79 8.880 8.880 7.742 1.138 17717 11453 1 12 . 1 1 80 80 TRP N N 80 123.803 123.803 121.872 1.931 17717 11454 1 12 . 1 1 80 80 TRP HA H 80 4.280 4.280 4.335 -0.055 17717 11455 1 12 . 1 1 80 80 TRP CA C 80 60.660 60.660 61.834 -1.174 17717 11456 1 12 . 1 1 80 80 TRP CB C 80 27.000 27.000 30.338 -3.338 17717 11457 1 12 . 1 1 80 80 TRP H H 80 7.760 7.760 7.920 -0.160 17717 11458 1 12 . 1 1 81 81 VAL N N 81 118.790 118.790 117.326 1.464 17717 11459 1 12 . 1 1 81 81 VAL HA H 81 4.280 4.280 3.818 0.462 17717 11460 1 12 . 1 1 81 81 VAL CA C 81 61.200 61.200 66.320 -5.120 17717 11461 1 12 . 1 1 81 81 VAL CB C 81 29.900 29.900 31.672 -1.772 17717 11462 1 12 . 1 1 81 81 VAL H H 81 8.160 8.160 8.924 -0.764 17717 11463 1 12 . 1 1 82 82 ARG N N 82 119.190 119.190 119.914 -0.724 17717 11464 1 12 . 1 1 82 82 ARG HA H 82 4.480 4.480 3.943 0.537 17717 11465 1 12 . 1 1 82 82 ARG CA C 82 58.400 58.400 59.495 -1.095 17717 11466 1 12 . 1 1 82 82 ARG CB C 82 29.800 29.800 30.126 -0.326 17717 11467 1 12 . 1 1 82 82 ARG H H 82 7.100 7.100 8.513 -1.413 17717 11468 1 12 . 1 1 83 83 GLN N N 83 117.960 117.960 118.271 -0.311 17717 11469 1 12 . 1 1 83 83 GLN HA H 83 4.222 4.222 3.973 0.249 17717 11470 1 12 . 1 1 83 83 GLN CA C 83 55.600 55.600 58.452 -2.852 17717 11471 1 12 . 1 1 83 83 GLN CB C 83 28.550 28.550 28.207 0.343 17717 11472 1 12 . 1 1 83 83 GLN H H 83 8.050 8.050 7.735 0.315 17717 11473 1 12 . 1 1 84 84 GLU N N 84 119.022 119.022 118.712 0.310 17717 11474 1 12 . 1 1 84 84 GLU HA H 84 4.100 4.100 3.948 0.152 17717 11475 1 12 . 1 1 84 84 GLU CA C 84 57.300 57.300 57.934 -0.634 17717 11476 1 12 . 1 1 84 84 GLU CB C 84 28.600 28.600 29.057 -0.457 17717 11477 1 12 . 1 1 84 84 GLU H H 84 7.920 7.920 8.379 -0.459 17717 11478 1 12 . 1 1 85 85 MET N N 85 117.565 117.565 120.507 -2.942 17717 11479 1 12 . 1 1 85 85 MET HA H 85 4.265 4.265 3.950 0.315 17717 11480 1 12 . 1 1 85 85 MET CA C 85 55.020 55.020 59.253 -4.233 17717 11481 1 12 . 1 1 85 85 MET CB C 85 33.000 33.000 32.139 0.861 17717 11482 1 12 . 1 1 85 85 MET H H 85 8.230 8.230 7.431 0.799 17717 11483 1 12 . 1 1 86 86 ASN N N 86 119.022 119.022 116.526 2.496 17717 11484 1 12 . 1 1 86 86 ASN HA H 86 4.570 4.570 4.497 0.073 17717 11485 1 12 . 1 1 86 86 ASN CA C 86 56.000 56.000 55.965 0.035 17717 11486 1 12 . 1 1 86 86 ASN CB C 86 37.700 37.700 38.740 -1.040 17717 11487 1 12 . 1 1 86 86 ASN H H 86 8.600 8.600 7.729 0.871 17717 11488 1 12 . 1 1 87 87 LYS N N 87 120.273 120.273 120.805 -0.532 17717 11489 1 12 . 1 1 87 87 LYS HA H 87 4.100 4.100 3.919 0.181 17717 11490 1 12 . 1 1 87 87 LYS CA C 87 59.000 59.000 59.330 -0.330 17717 11491 1 12 . 1 1 87 87 LYS CB C 87 30.900 30.900 32.101 -1.201 17717 11492 1 12 . 1 1 87 87 LYS H H 87 7.220 7.220 7.524 -0.304 17717 11493 1 12 . 1 1 88 88 ASP N N 88 121.147 121.147 119.080 2.067 17717 11494 1 12 . 1 1 88 88 ASP HA H 88 4.480 4.480 4.387 0.093 17717 11495 1 12 . 1 1 88 88 ASP CA C 88 56.840 56.840 57.277 -0.437 17717 11496 1 12 . 1 1 88 88 ASP CB C 88 39.450 39.450 40.641 -1.191 17717 11497 1 12 . 1 1 88 88 ASP H H 88 7.390 7.390 7.985 -0.595 17717 11498 1 12 . 1 1 89 89 LEU N N 89 122.741 122.741 119.754 2.987 17717 11499 1 12 . 1 1 89 89 LEU HA H 89 4.470 4.470 3.942 0.528 17717 11500 1 12 . 1 1 89 89 LEU CA C 89 57.000 57.000 58.529 -1.529 17717 11501 1 12 . 1 1 89 89 LEU CB C 89 41.000 41.000 42.173 -1.173 17717 11502 1 12 . 1 1 89 89 LEU H H 89 8.910 8.910 7.462 1.448 17717 11503 1 12 . 1 1 90 90 GLU N N 90 119.553 119.553 117.699 1.854 17717 11504 1 12 . 1 1 90 90 GLU HA H 90 4.050 4.050 4.149 -0.099 17717 11505 1 12 . 1 1 90 90 GLU CA C 90 59.100 59.100 58.502 0.598 17717 11506 1 12 . 1 1 90 90 GLU CB C 90 28.556 28.556 29.625 -1.069 17717 11507 1 12 . 1 1 90 90 GLU H H 90 8.260 8.260 7.875 0.385 17717 11508 1 12 . 1 1 91 91 GLU N N 91 119.190 119.190 120.161 -0.971 17717 11509 1 12 . 1 1 91 91 GLU HA H 91 4.136 4.136 4.149 -0.013 17717 11510 1 12 . 1 1 91 91 GLU CA C 91 58.600 58.600 59.296 -0.696 17717 11511 1 12 . 1 1 91 91 GLU CB C 91 28.600 28.600 29.927 -1.327 17717 11512 1 12 . 1 1 91 91 GLU H H 91 7.470 7.470 8.166 -0.696 17717 11513 1 12 . 1 1 92 92 VAL N N 92 122.230 122.230 115.636 6.594 17717 11514 1 12 . 1 1 92 92 VAL HA H 92 3.837 3.837 3.947 -0.110 17717 11515 1 12 . 1 1 92 92 VAL CA C 92 65.900 65.900 66.272 -0.372 17717 11516 1 12 . 1 1 92 92 VAL CB C 92 29.200 29.200 32.103 -2.903 17717 11517 1 12 . 1 1 92 92 VAL H H 92 8.420 8.420 8.248 0.172 17717 11518 1 12 . 1 1 93 93 LYS N N 93 121.300 121.300 118.230 3.070 17717 11519 1 12 . 1 1 93 93 LYS HA H 93 3.836 3.836 4.252 -0.416 17717 11520 1 12 . 1 1 93 93 LYS CA C 93 59.900 59.900 58.553 1.347 17717 11521 1 12 . 1 1 93 93 LYS CB C 93 31.277 31.277 32.023 -0.746 17717 11522 1 12 . 1 1 93 93 LYS H H 93 9.000 9.000 7.666 1.334 17717 11523 1 12 . 1 1 94 94 GLN N N 94 116.900 116.900 117.286 -0.386 17717 11524 1 12 . 1 1 94 94 GLN HA H 94 4.094 4.094 4.323 -0.229 17717 11525 1 12 . 1 1 94 94 GLN CA C 94 57.731 57.731 57.944 -0.213 17717 11526 1 12 . 1 1 94 94 GLN CB C 94 27.700 27.700 28.392 -0.692 17717 11527 1 12 . 1 1 94 94 GLN H H 94 7.320 7.320 7.770 -0.450 17717 11528 1 12 . 1 1 95 95 LYS N N 95 119.190 119.190 119.610 -0.420 17717 11529 1 12 . 1 1 95 95 LYS HA H 95 4.137 4.137 4.189 -0.052 17717 11530 1 12 . 1 1 95 95 LYS CA C 95 57.700 57.700 58.491 -0.791 17717 11531 1 12 . 1 1 95 95 LYS CB C 95 31.800 31.800 33.091 -1.291 17717 11532 1 12 . 1 1 95 95 LYS H H 95 7.590 7.590 7.670 -0.080 17717 11533 1 12 . 1 1 96 96 VAL N N 96 111.000 111.000 116.653 -5.653 17717 11534 1 12 . 1 1 96 96 VAL HA H 96 4.138 4.138 3.478 0.660 17717 11535 1 12 . 1 1 96 96 VAL CA C 96 61.600 61.600 65.625 -4.025 17717 11536 1 12 . 1 1 96 96 VAL CB C 96 31.500 31.500 31.341 0.159 17717 11537 1 12 . 1 1 96 96 VAL H H 96 7.960 7.960 7.658 0.302 17717 11538 1 12 . 1 1 97 97 GLN N N 97 122.210 122.210 120.720 1.490 17717 11539 1 12 . 1 1 97 97 GLN HA H 97 4.030 4.030 4.205 -0.175 17717 11540 1 12 . 1 1 97 97 GLN CA C 97 59.226 59.226 58.941 0.285 17717 11541 1 12 . 1 1 97 97 GLN CB C 97 24.578 24.578 27.133 -2.555 17717 11542 1 12 . 1 1 97 97 GLN H H 97 7.380 7.380 8.439 -1.059 17717 11543 1 12 . 1 1 98 98 PRO CA C 98 65.400 65.400 63.275 2.125 17717 11544 1 12 . 1 1 98 98 PRO CB C 98 30.336 30.336 32.248 -1.913 17717 11545 1 12 . 1 1 99 99 TYR N N 99 116.900 116.900 116.981 -0.081 17717 11546 1 12 . 1 1 99 99 TYR HA H 99 4.480 4.480 4.150 0.330 17717 11547 1 12 . 1 1 99 99 TYR CA C 99 58.446 58.446 59.052 -0.606 17717 11548 1 12 . 1 1 99 99 TYR CB C 99 36.344 36.344 37.107 -0.763 17717 11549 1 12 . 1 1 99 99 TYR H H 99 7.100 7.100 7.777 -0.677 17717 11550 1 12 . 1 1 100 100 LEU N N 100 123.270 123.270 123.186 0.084 17717 11551 1 12 . 1 1 100 100 LEU HA H 100 3.964 3.964 4.746 -0.782 17717 11552 1 12 . 1 1 100 100 LEU CA C 100 57.300 57.300 54.985 2.315 17717 11553 1 12 . 1 1 100 100 LEU CB C 100 40.950 40.950 42.917 -1.967 17717 11554 1 12 . 1 1 100 100 LEU H H 100 7.500 7.500 7.787 -0.287 17717 11555 1 12 . 1 1 101 101 ASP N N 101 119.500 119.500 117.543 1.957 17717 11556 1 12 . 1 1 101 101 ASP HA H 101 3.810 3.810 4.542 -0.732 17717 11557 1 12 . 1 1 101 101 ASP CA C 101 58.200 58.200 54.129 4.071 17717 11558 1 12 . 1 1 101 101 ASP CB C 101 39.100 39.100 40.844 -1.744 17717 11559 1 12 . 1 1 101 101 ASP H H 101 8.450 8.450 8.035 0.415 17717 11560 1 12 . 1 1 102 102 GLU N N 102 121.221 121.221 119.674 1.547 17717 11561 1 12 . 1 1 102 102 GLU HA H 102 4.222 4.222 3.990 0.232 17717 11562 1 12 . 1 1 102 102 GLU CA C 102 59.200 59.200 58.532 0.668 17717 11563 1 12 . 1 1 102 102 GLU CB C 102 31.100 31.100 28.813 2.287 17717 11564 1 12 . 1 1 102 102 GLU H H 102 8.190 8.190 8.298 -0.108 17717 11565 1 12 . 1 1 103 103 PHE N N 103 124.065 124.065 119.315 4.750 17717 11566 1 12 . 1 1 103 103 PHE HA H 103 4.520 4.520 4.172 0.348 17717 11567 1 12 . 1 1 103 103 PHE CA C 103 57.183 57.183 60.636 -3.453 17717 11568 1 12 . 1 1 103 103 PHE CB C 103 38.608 38.608 37.875 0.733 17717 11569 1 12 . 1 1 103 103 PHE H H 103 8.170 8.170 7.106 1.064 17717 11570 1 12 . 1 1 104 104 GLN N N 104 123.272 123.272 119.253 4.019 17717 11571 1 12 . 1 1 104 104 GLN HA H 104 4.222 4.222 4.037 0.185 17717 11572 1 12 . 1 1 104 104 GLN CA C 104 55.460 55.460 58.701 -3.241 17717 11573 1 12 . 1 1 104 104 GLN CB C 104 29.200 29.200 28.516 0.684 17717 11574 1 12 . 1 1 104 104 GLN H H 104 8.030 8.030 8.466 -0.436 17717 11575 1 12 . 1 1 105 105 LYS N N 105 119.600 119.600 120.506 -0.906 17717 11576 1 12 . 1 1 105 105 LYS HA H 105 4.136 4.136 4.095 0.041 17717 11577 1 12 . 1 1 105 105 LYS CA C 105 57.830 57.830 58.822 -0.992 17717 11578 1 12 . 1 1 105 105 LYS CB C 105 32.220 32.220 32.145 0.075 17717 11579 1 12 . 1 1 105 105 LYS H H 105 7.800 7.800 7.515 0.285 17717 11580 1 12 . 1 1 106 106 LYS N N 106 117.960 117.960 120.649 -2.689 17717 11581 1 12 . 1 1 106 106 LYS HA H 106 4.093 4.093 4.083 0.010 17717 11582 1 12 . 1 1 106 106 LYS CA C 106 57.860 57.860 59.377 -1.516 17717 11583 1 12 . 1 1 106 106 LYS CB C 106 32.080 32.080 31.929 0.151 17717 11584 1 12 . 1 1 106 106 LYS H H 106 7.740 7.740 8.046 -0.306 17717 11585 1 12 . 1 1 107 107 TRP N N 107 119.320 119.320 119.979 -0.659 17717 11586 1 12 . 1 1 107 107 TRP HA H 107 4.310 4.310 4.272 0.038 17717 11587 1 12 . 1 1 107 107 TRP CA C 107 54.900 54.900 60.101 -5.201 17717 11588 1 12 . 1 1 107 107 TRP CB C 107 28.400 28.400 29.436 -1.036 17717 11589 1 12 . 1 1 107 107 TRP H H 107 8.390 8.390 7.912 0.478 17717 11590 1 12 . 1 1 108 108 LYS N N 108 120.390 120.390 119.870 0.520 17717 11591 1 12 . 1 1 108 108 LYS HA H 108 4.350 4.350 3.700 0.650 17717 11592 1 12 . 1 1 108 108 LYS CA C 108 58.170 58.170 58.813 -0.643 17717 11593 1 12 . 1 1 108 108 LYS CB C 108 30.250 30.250 32.083 -1.833 17717 11594 1 12 . 1 1 108 108 LYS H H 108 7.420 7.420 7.847 -0.427 17717 11595 1 12 . 1 1 109 109 GLU N N 109 120.220 120.220 120.914 -0.694 17717 11596 1 12 . 1 1 109 109 GLU HA H 109 3.922 3.922 3.985 -0.063 17717 11597 1 12 . 1 1 109 109 GLU CA C 109 58.230 58.230 59.560 -1.330 17717 11598 1 12 . 1 1 109 109 GLU CB C 109 29.230 29.230 29.836 -0.606 17717 11599 1 12 . 1 1 109 109 GLU H H 109 7.800 7.800 7.572 0.228 17717 11600 1 12 . 1 1 110 110 ASP N N 110 121.678 121.678 119.947 1.731 17717 11601 1 12 . 1 1 110 110 ASP HA H 110 4.096 4.096 4.237 -0.141 17717 11602 1 12 . 1 1 110 110 ASP CA C 110 57.514 57.514 57.353 0.161 17717 11603 1 12 . 1 1 110 110 ASP CB C 110 40.005 40.005 40.639 -0.633 17717 11604 1 12 . 1 1 110 110 ASP H H 110 8.220 8.220 8.515 -0.295 17717 11605 1 12 . 1 1 111 111 VAL N N 111 123.537 123.537 117.168 6.369 17717 11606 1 12 . 1 1 111 111 VAL CA C 111 66.380 66.380 66.537 -0.158 17717 11607 1 12 . 1 1 111 111 VAL CB C 111 30.800 30.800 30.915 -0.115 17717 11608 1 12 . 1 1 111 111 VAL H H 111 9.170 9.170 7.299 1.871 17717 11609 1 12 . 1 1 112 112 GLU N N 112 120.200 120.200 120.683 -0.483 17717 11610 1 12 . 1 1 112 112 GLU HA H 112 4.179 4.179 3.972 0.207 17717 11611 1 12 . 1 1 112 112 GLU CA C 112 58.431 58.431 59.446 -1.015 17717 11612 1 12 . 1 1 112 112 GLU CB C 112 27.878 27.878 29.473 -1.595 17717 11613 1 12 . 1 1 112 112 GLU H H 112 7.540 7.540 7.310 0.230 17717 11614 1 12 . 1 1 113 113 LEU N N 113 120.815 120.815 118.465 2.350 17717 11615 1 12 . 1 1 113 113 LEU HA H 113 4.439 4.439 3.772 0.667 17717 11616 1 12 . 1 1 113 113 LEU CA C 113 53.800 53.800 57.648 -3.848 17717 11617 1 12 . 1 1 113 113 LEU CB C 113 41.060 41.060 40.670 0.390 17717 11618 1 12 . 1 1 113 113 LEU H H 113 7.900 7.900 7.455 0.445 17717 11619 1 12 . 1 1 114 114 TYR N N 114 120.920 120.920 119.989 0.931 17717 11620 1 12 . 1 1 114 114 TYR HA H 114 4.520 4.520 4.073 0.447 17717 11621 1 12 . 1 1 114 114 TYR CA C 114 56.942 56.942 60.931 -3.989 17717 11622 1 12 . 1 1 114 114 TYR CB C 114 37.834 37.834 38.065 -0.231 17717 11623 1 12 . 1 1 114 114 TYR H H 114 8.370 8.370 8.046 0.324 17717 11624 1 12 . 1 1 115 115 ARG N N 115 118.260 118.260 117.577 0.683 17717 11625 1 12 . 1 1 115 115 ARG HA H 115 4.820 4.820 3.928 0.892 17717 11626 1 12 . 1 1 115 115 ARG CA C 115 55.700 55.700 59.685 -3.985 17717 11627 1 12 . 1 1 115 115 ARG CB C 115 30.600 30.600 29.656 0.944 17717 11628 1 12 . 1 1 115 115 ARG H H 115 7.630 7.630 7.826 -0.196 17717 11629 1 12 . 1 1 116 116 GLN N N 116 116.670 116.670 117.259 -0.589 17717 11630 1 12 . 1 1 116 116 GLN HA H 116 4.480 4.480 4.115 0.365 17717 11631 1 12 . 1 1 116 116 GLN CA C 116 57.100 57.100 58.079 -0.979 17717 11632 1 12 . 1 1 116 116 GLN CB C 116 28.060 28.060 28.332 -0.272 17717 11633 1 12 . 1 1 116 116 GLN H H 116 7.980 7.980 7.350 0.630 17717 11634 1 12 . 1 1 117 117 LYS N N 117 119.200 119.200 120.194 -0.994 17717 11635 1 12 . 1 1 117 117 LYS HA H 117 4.211 4.211 3.933 0.278 17717 11636 1 12 . 1 1 117 117 LYS CA C 117 56.700 56.700 58.498 -1.798 17717 11637 1 12 . 1 1 117 117 LYS CB C 117 32.100 32.100 31.598 0.502 17717 11638 1 12 . 1 1 117 117 LYS H H 117 7.780 7.780 7.521 0.259 17717 11639 1 12 . 1 1 118 118 ALA N N 118 122.740 122.740 120.263 2.477 17717 11640 1 12 . 1 1 118 118 ALA HA H 118 4.179 4.179 4.031 0.148 17717 11641 1 12 . 1 1 118 118 ALA CA C 118 52.100 52.100 53.611 -1.510 17717 11642 1 12 . 1 1 118 118 ALA CB C 118 18.100 18.100 19.130 -1.030 17717 11643 1 12 . 1 1 118 118 ALA H H 118 8.100 8.100 8.124 -0.024 17717 11644 1 12 . 1 1 119 119 SER N N 119 115.840 115.840 114.840 1.000 17717 11645 1 12 . 1 1 119 119 SER HA H 119 4.210 4.210 4.889 -0.679 17717 11646 1 12 . 1 1 119 119 SER CA C 119 55.900 55.900 54.403 1.497 17717 11647 1 12 . 1 1 119 119 SER CB C 119 62.900 62.900 63.782 -0.881 17717 11648 1 12 . 1 1 119 119 SER H H 119 7.800 7.800 7.563 0.237 17717 11649 1 12 . 1 1 120 120 PRO CA C 120 63.074 63.074 63.022 0.052 17717 11650 1 12 . 1 1 120 120 PRO CB C 120 31.408 31.408 32.167 -0.759 17717 11651 1 12 . 1 1 121 121 GLN N N 121 120.800 120.800 127.122 -6.322 17717 11652 1 12 . 1 1 121 121 GLN HA H 121 4.350 4.350 4.052 0.298 17717 11653 1 12 . 1 1 121 121 GLN CA C 121 55.800 55.800 58.906 -3.106 17717 11654 1 12 . 1 1 121 121 GLN CB C 121 28.300 28.300 27.679 0.621 17717 11655 1 12 . 1 1 121 121 GLN H H 121 8.450 8.450 8.726 -0.276 17717 11656 1 12 . 1 1 122 122 GLY N N 122 109.991 109.991 107.335 2.656 17717 11657 1 12 . 1 1 122 122 GLY CA C 122 44.500 44.500 46.621 -2.121 17717 11658 1 12 . 1 1 122 122 GLY H H 122 8.380 8.380 8.788 -0.408 17717 11659 1 12 . 1 1 123 123 ALA N N 123 124.866 124.866 125.099 -0.233 17717 11660 1 12 . 1 1 123 123 ALA HA H 123 4.280 4.280 4.513 -0.233 17717 11661 1 12 . 1 1 123 123 ALA CA C 123 52.440 52.440 55.064 -2.624 17717 11662 1 12 . 1 1 123 123 ALA CB C 123 18.530 18.530 18.908 -0.378 17717 11663 1 12 . 1 1 123 123 ALA H H 123 8.200 8.200 8.163 0.037 17717 11664 1 12 . 1 1 124 124 GLU N N 124 120.000 120.000 118.354 1.646 17717 11665 1 12 . 1 1 124 124 GLU HA H 124 4.265 4.265 4.168 0.097 17717 11666 1 12 . 1 1 124 124 GLU CA C 124 56.533 56.533 58.301 -1.768 17717 11667 1 12 . 1 1 124 124 GLU CB C 124 29.150 29.150 29.289 -0.139 17717 11668 1 12 . 1 1 124 124 GLU H H 124 8.510 8.510 7.747 0.763 17717 11669 1 12 . 1 1 125 125 LEU N N 125 122.740 122.740 122.718 0.022 17717 11670 1 12 . 1 1 125 125 LEU HA H 125 4.222 4.222 4.049 0.173 17717 11671 1 12 . 1 1 125 125 LEU CA C 125 55.600 55.600 58.378 -2.778 17717 11672 1 12 . 1 1 125 125 LEU CB C 125 41.500 41.500 41.507 -0.007 17717 11673 1 12 . 1 1 125 125 LEU H H 125 8.110 8.110 8.741 -0.631 17717 11674 1 12 . 1 1 126 126 GLN N N 126 120.616 120.616 116.207 4.409 17717 11675 1 12 . 1 1 126 126 GLN HA H 126 4.140 4.140 4.048 0.092 17717 11676 1 12 . 1 1 126 126 GLN CA C 126 56.600 56.600 58.257 -1.657 17717 11677 1 12 . 1 1 126 126 GLN CB C 126 28.200 28.200 28.090 0.110 17717 11678 1 12 . 1 1 126 126 GLN H H 126 8.190 8.190 7.988 0.202 17717 11679 1 12 . 1 1 127 127 GLU N N 127 121.221 121.221 121.169 0.052 17717 11680 1 12 . 1 1 127 127 GLU HA H 127 4.480 4.480 4.048 0.432 17717 11681 1 12 . 1 1 127 127 GLU CA C 127 57.800 57.800 59.324 -1.524 17717 11682 1 12 . 1 1 127 127 GLU CB C 127 28.000 28.000 29.459 -1.459 17717 11683 1 12 . 1 1 127 127 GLU H H 127 8.130 8.130 7.739 0.391 17717 11684 1 12 . 1 1 128 128 SER N N 128 117.960 117.960 116.580 1.380 17717 11685 1 12 . 1 1 128 128 SER HA H 128 4.140 4.140 4.287 -0.147 17717 11686 1 12 . 1 1 128 128 SER CA C 128 57.800 57.800 61.234 -3.434 17717 11687 1 12 . 1 1 128 128 SER CB C 128 63.860 63.860 63.330 0.530 17717 11688 1 12 . 1 1 128 128 SER H H 128 8.580 8.580 8.491 0.089 17717 11689 1 12 . 1 1 129 129 ALA N N 129 132.300 132.300 122.069 10.231 17717 11690 1 12 . 1 1 129 129 ALA CA C 129 53.505 53.505 52.792 0.713 17717 11691 1 12 . 1 1 129 129 ALA CB C 129 18.600 18.600 18.752 -0.152 17717 11692 1 12 . 1 1 129 129 ALA H H 129 7.980 7.980 7.871 0.109 17717 11693 1 12 . 1 1 130 130 ARG N N 130 119.553 119.553 117.732 1.821 17717 11694 1 12 . 1 1 130 130 ARG HA H 130 4.274 4.274 4.506 -0.232 17717 11695 1 12 . 1 1 130 130 ARG CA C 130 55.300 55.300 55.428 -0.128 17717 11696 1 12 . 1 1 130 130 ARG CB C 130 31.600 31.600 31.613 -0.013 17717 11697 1 12 . 1 1 130 130 ARG H H 130 8.150 8.150 7.509 0.641 17717 11698 1 12 . 1 1 131 131 GLN N N 131 117.960 117.960 120.588 -2.628 17717 11699 1 12 . 1 1 131 131 GLN HA H 131 4.350 4.350 4.283 0.067 17717 11700 1 12 . 1 1 131 131 GLN CA C 131 56.066 56.066 56.538 -0.472 17717 11701 1 12 . 1 1 131 131 GLN CB C 131 29.000 29.000 29.179 -0.179 17717 11702 1 12 . 1 1 131 131 GLN H H 131 7.880 7.880 7.567 0.313 17717 11703 1 12 . 1 1 132 132 LYS N N 132 121.357 121.357 121.920 -0.563 17717 11704 1 12 . 1 1 132 132 LYS HA H 132 4.136 4.136 4.371 -0.235 17717 11705 1 12 . 1 1 132 132 LYS CA C 132 56.800 56.800 56.709 0.091 17717 11706 1 12 . 1 1 132 132 LYS CB C 132 31.100 31.100 32.057 -0.957 17717 11707 1 12 . 1 1 132 132 LYS H H 132 7.892 7.892 8.809 -0.917 17717 11708 1 12 . 1 1 133 133 LEU N N 133 120.620 120.620 119.899 0.721 17717 11709 1 12 . 1 1 133 133 LEU HA H 133 4.480 4.480 4.662 -0.182 17717 11710 1 12 . 1 1 133 133 LEU CA C 133 53.900 53.900 54.610 -0.710 17717 11711 1 12 . 1 1 133 133 LEU CB C 133 41.230 41.230 41.814 -0.584 17717 11712 1 12 . 1 1 133 133 LEU H H 133 8.320 8.320 7.718 0.602 17717 11713 1 12 . 1 1 134 134 GLN N N 134 121.147 121.147 118.900 2.247 17717 11714 1 12 . 1 1 134 134 GLN HA H 134 4.222 4.222 4.336 -0.114 17717 11715 1 12 . 1 1 134 134 GLN CA C 134 56.146 56.146 56.135 0.011 17717 11716 1 12 . 1 1 134 134 GLN CB C 134 31.813 31.813 29.827 1.986 17717 11717 1 12 . 1 1 134 134 GLN H H 134 7.870 7.870 8.061 -0.191 17717 11718 1 12 . 1 1 135 135 GLU N N 135 121.678 121.678 120.407 1.271 17717 11719 1 12 . 1 1 135 135 GLU HA H 135 4.136 4.136 4.246 -0.110 17717 11720 1 12 . 1 1 135 135 GLU CA C 135 55.904 55.904 56.327 -0.423 17717 11721 1 12 . 1 1 135 135 GLU CB C 135 28.953 28.953 30.010 -1.057 17717 11722 1 12 . 1 1 135 135 GLU H H 135 7.892 7.892 8.455 -0.563 17717 11723 1 12 . 1 1 136 136 LEU N N 136 121.357 121.357 120.149 1.208 17717 11724 1 12 . 1 1 136 136 LEU HA H 136 4.351 4.351 4.368 -0.017 17717 11725 1 12 . 1 1 136 136 LEU CA C 136 54.765 54.765 56.067 -1.302 17717 11726 1 12 . 1 1 136 136 LEU CB C 136 41.823 41.823 42.085 -0.262 17717 11727 1 12 . 1 1 136 136 LEU H H 136 7.962 7.962 8.198 -0.236 17717 11728 1 12 . 1 1 137 137 GLN N N 137 124.866 124.866 118.245 6.621 17717 11729 1 12 . 1 1 137 137 GLN HA H 137 4.222 4.222 4.576 -0.354 17717 11730 1 12 . 1 1 137 137 GLN CA C 137 56.300 56.300 55.005 1.295 17717 11731 1 12 . 1 1 137 137 GLN CB C 137 28.000 28.000 30.163 -2.163 17717 11732 1 12 . 1 1 137 137 GLN H H 137 7.938 7.938 7.887 0.051 17717 11733 1 12 . 1 1 138 138 GLY N N 138 111.054 111.054 108.926 2.128 17717 11734 1 12 . 1 1 138 138 GLY CA C 138 44.800 44.800 45.098 -0.298 17717 11735 1 12 . 1 1 138 138 GLY H H 138 8.410 8.410 8.450 -0.040 17717 11736 1 12 . 1 1 139 139 ARG N N 139 116.366 116.366 119.332 -2.966 17717 11737 1 12 . 1 1 139 139 ARG HA H 139 4.230 4.230 4.344 -0.114 17717 11738 1 12 . 1 1 139 139 ARG CA C 139 56.300 56.300 56.218 0.082 17717 11739 1 12 . 1 1 139 139 ARG CB C 139 28.700 28.700 30.818 -2.118 17717 11740 1 12 . 1 1 139 139 ARG H H 139 8.080 8.080 8.410 -0.330 17717 11741 1 12 . 1 1 140 140 LEU N N 140 126.460 126.460 117.204 9.256 17717 11742 1 12 . 1 1 140 140 LEU HA H 140 4.220 4.220 3.897 0.323 17717 11743 1 12 . 1 1 140 140 LEU CA C 140 56.500 56.500 56.418 0.082 17717 11744 1 12 . 1 1 140 140 LEU CB C 140 41.496 41.496 41.211 0.285 17717 11745 1 12 . 1 1 140 140 LEU H H 140 7.740 7.740 8.179 -0.439 17717 11746 1 12 . 1 1 141 141 SER N N 141 119.190 119.190 115.727 3.463 17717 11747 1 12 . 1 1 141 141 SER HA H 141 4.390 4.390 4.480 -0.090 17717 11748 1 12 . 1 1 141 141 SER CA C 141 56.384 56.384 58.468 -2.084 17717 11749 1 12 . 1 1 141 141 SER CB C 141 62.996 62.996 62.820 0.176 17717 11750 1 12 . 1 1 141 141 SER H H 141 8.430 8.430 8.088 0.342 17717 11751 1 12 . 1 1 142 142 PRO CA C 142 64.840 64.840 64.715 0.125 17717 11752 1 12 . 1 1 142 142 PRO CB C 142 31.345 31.345 31.563 -0.218 17717 11753 1 12 . 1 1 143 143 VAL N N 143 116.900 116.900 116.091 0.809 17717 11754 1 12 . 1 1 143 143 VAL HA H 143 4.100 4.100 4.193 -0.093 17717 11755 1 12 . 1 1 143 143 VAL CA C 143 63.800 63.800 62.929 0.871 17717 11756 1 12 . 1 1 143 143 VAL CB C 143 31.400 31.400 30.194 1.206 17717 11757 1 12 . 1 1 143 143 VAL H H 143 7.780 7.780 7.597 0.183 17717 11758 1 12 . 1 1 144 144 ALA N N 144 125.700 125.700 121.989 3.711 17717 11759 1 12 . 1 1 144 144 ALA HA H 144 4.390 4.390 4.030 0.360 17717 11760 1 12 . 1 1 144 144 ALA CA C 144 54.200 54.200 55.181 -0.981 17717 11761 1 12 . 1 1 144 144 ALA CB C 144 18.361 18.361 18.108 0.253 17717 11762 1 12 . 1 1 144 144 ALA H H 144 7.970 7.970 7.714 0.256 17717 11763 1 12 . 1 1 145 145 GLU N N 145 120.000 120.000 118.655 1.345 17717 11764 1 12 . 1 1 145 145 GLU HA H 145 3.920 3.920 3.912 0.008 17717 11765 1 12 . 1 1 145 145 GLU CA C 145 59.400 59.400 59.650 -0.250 17717 11766 1 12 . 1 1 145 145 GLU CB C 145 28.400 28.400 28.892 -0.492 17717 11767 1 12 . 1 1 145 145 GLU H H 145 8.600 8.600 7.781 0.819 17717 11768 1 12 . 1 1 146 146 GLU N N 146 119.022 119.022 118.863 0.159 17717 11769 1 12 . 1 1 146 146 GLU HA H 146 4.050 4.050 4.121 -0.071 17717 11770 1 12 . 1 1 146 146 GLU CA C 146 58.422 58.422 58.784 -0.362 17717 11771 1 12 . 1 1 146 146 GLU CB C 146 28.172 28.172 28.517 -0.345 17717 11772 1 12 . 1 1 146 146 GLU H H 146 8.070 8.070 8.143 -0.073 17717 11773 1 12 . 1 1 147 147 PHE N N 147 117.023 117.023 122.333 -5.310 17717 11774 1 12 . 1 1 147 147 PHE HA H 147 4.523 4.523 4.217 0.306 17717 11775 1 12 . 1 1 147 147 PHE CA C 147 58.592 58.592 61.012 -2.420 17717 11776 1 12 . 1 1 147 147 PHE CB C 147 40.344 40.344 39.110 1.234 17717 11777 1 12 . 1 1 147 147 PHE H H 147 8.161 8.161 8.428 -0.267 17717 11778 1 12 . 1 1 148 148 ARG N N 148 120.085 120.085 118.458 1.627 17717 11779 1 12 . 1 1 148 148 ARG HA H 148 4.136 4.136 4.100 0.036 17717 11780 1 12 . 1 1 148 148 ARG CA C 148 57.700 57.700 59.541 -1.841 17717 11781 1 12 . 1 1 148 148 ARG CB C 148 30.400 30.400 30.015 0.385 17717 11782 1 12 . 1 1 148 148 ARG H H 148 8.325 8.325 8.489 -0.164 17717 11783 1 12 . 1 1 149 149 ASP N N 149 118.530 118.530 119.676 -1.146 17717 11784 1 12 . 1 1 149 149 ASP HA H 149 4.310 4.310 4.423 -0.113 17717 11785 1 12 . 1 1 149 149 ASP CA C 149 54.600 54.600 57.799 -3.199 17717 11786 1 12 . 1 1 149 149 ASP CB C 149 41.000 41.000 40.991 0.009 17717 11787 1 12 . 1 1 149 149 ASP H H 149 8.270 8.270 8.050 0.220 17717 11788 1 12 . 1 1 150 150 ARG N N 150 126.460 126.460 119.929 6.531 17717 11789 1 12 . 1 1 150 150 ARG HA H 150 4.180 4.180 4.200 -0.020 17717 11790 1 12 . 1 1 150 150 ARG CA C 150 56.850 56.850 58.265 -1.415 17717 11791 1 12 . 1 1 150 150 ARG CB C 150 30.451 30.451 29.583 0.868 17717 11792 1 12 . 1 1 150 150 ARG H H 150 7.860 7.860 8.170 -0.310 17717 11793 1 12 . 1 1 152 152 ARG CA C 152 55.764 55.764 59.454 -3.690 17717 11794 1 12 . 1 1 152 152 ARG CB C 152 30.014 30.014 30.181 -0.167 17717 11795 1 12 . 1 1 153 153 THR N N 153 115.832 115.832 110.484 5.348 17717 11796 1 12 . 1 1 153 153 THR HA H 153 4.350 4.350 4.046 0.304 17717 11797 1 12 . 1 1 153 153 THR CA C 153 61.200 61.200 65.827 -4.627 17717 11798 1 12 . 1 1 153 153 THR CB C 153 69.400 69.400 68.838 0.562 17717 11799 1 12 . 1 1 153 153 THR H H 153 8.170 8.170 8.610 -0.440 17717 11800 1 12 . 1 1 154 154 HIS N N 154 129.120 129.120 123.255 5.865 17717 11801 1 12 . 1 1 154 154 HIS HA H 154 4.650 4.650 4.165 0.485 17717 11802 1 12 . 1 1 154 154 HIS CA C 154 56.800 56.800 59.840 -3.040 17717 11803 1 12 . 1 1 154 154 HIS CB C 154 30.400 30.400 29.760 0.640 17717 11804 1 12 . 1 1 154 154 HIS H H 154 7.950 7.950 7.665 0.285 17717 11805 1 12 . 1 1 155 155 VAL N N 155 120.620 120.620 117.737 2.883 17717 11806 1 12 . 1 1 155 155 VAL HA H 155 4.012 4.012 3.517 0.495 17717 11807 1 12 . 1 1 155 155 VAL CA C 155 62.300 62.300 65.935 -3.635 17717 11808 1 12 . 1 1 155 155 VAL CB C 155 31.600 31.600 30.579 1.020 17717 11809 1 12 . 1 1 155 155 VAL H H 155 7.910 7.910 7.565 0.345 17717 11810 1 12 . 1 1 156 156 ASP N N 156 121.147 121.147 120.903 0.244 17717 11811 1 12 . 1 1 156 156 ASP HA H 156 4.440 4.440 4.334 0.106 17717 11812 1 12 . 1 1 156 156 ASP CA C 156 57.384 57.384 57.393 -0.009 17717 11813 1 12 . 1 1 156 156 ASP CB C 156 40.140 40.140 40.740 -0.600 17717 11814 1 12 . 1 1 156 156 ASP H H 156 8.100 8.100 8.100 -0.000 17717 11815 1 12 . 1 1 157 157 SER N N 157 116.366 116.366 116.281 0.085 17717 11816 1 12 . 1 1 157 157 SER HA H 157 4.220 4.220 4.145 0.075 17717 11817 1 12 . 1 1 157 157 SER CA C 157 61.500 61.500 61.706 -0.206 17717 11818 1 12 . 1 1 157 157 SER CB C 157 62.500 62.500 62.942 -0.442 17717 11819 1 12 . 1 1 157 157 SER H H 157 8.700 8.700 7.955 0.745 17717 11820 1 12 . 1 1 158 158 LEU N N 158 123.272 123.272 123.266 0.006 17717 11821 1 12 . 1 1 158 158 LEU HA H 158 4.520 4.520 3.970 0.550 17717 11822 1 12 . 1 1 158 158 LEU CA C 158 57.140 57.140 58.530 -1.390 17717 11823 1 12 . 1 1 158 158 LEU CB C 158 40.900 40.900 41.859 -0.959 17717 11824 1 12 . 1 1 158 158 LEU H H 158 7.790 7.790 7.924 -0.134 17717 11825 1 12 . 1 1 159 159 ARG N N 159 119.553 119.553 116.535 3.018 17717 11826 1 12 . 1 1 159 159 ARG HA H 159 4.530 4.530 4.096 0.434 17717 11827 1 12 . 1 1 159 159 ARG CA C 159 56.800 56.800 59.053 -2.253 17717 11828 1 12 . 1 1 159 159 ARG CB C 159 29.000 29.000 30.238 -1.238 17717 11829 1 12 . 1 1 159 159 ARG H H 159 8.650 8.650 8.194 0.456 17717 11830 1 12 . 1 1 160 160 THR N N 160 115.304 115.304 116.178 -0.874 17717 11831 1 12 . 1 1 160 160 THR HA H 160 3.880 3.880 4.157 -0.277 17717 11832 1 12 . 1 1 160 160 THR CA C 160 65.300 65.300 65.696 -0.396 17717 11833 1 12 . 1 1 160 160 THR CB C 160 68.900 68.900 68.546 0.354 17717 11834 1 12 . 1 1 160 160 THR H H 160 8.100 8.100 8.003 0.097 17717 11835 1 12 . 1 1 161 161 GLN N N 161 122.440 122.440 118.437 4.003 17717 11836 1 12 . 1 1 161 161 GLN HA H 161 4.220 4.220 4.385 -0.165 17717 11837 1 12 . 1 1 161 161 GLN CA C 161 56.900 56.900 58.278 -1.378 17717 11838 1 12 . 1 1 161 161 GLN CB C 161 26.160 26.160 29.140 -2.980 17717 11839 1 12 . 1 1 161 161 GLN H H 161 8.070 8.070 8.020 0.050 17717 11840 1 12 . 1 1 162 162 LEU N N 162 115.398 115.398 120.847 -5.449 17717 11841 1 12 . 1 1 162 162 LEU HA H 162 4.220 4.220 4.451 -0.231 17717 11842 1 12 . 1 1 162 162 LEU CA C 162 56.500 56.500 55.974 0.526 17717 11843 1 12 . 1 1 162 162 LEU CB C 162 41.000 41.000 40.873 0.127 17717 11844 1 12 . 1 1 162 162 LEU H H 162 7.980 7.980 7.852 0.128 17717 11845 1 12 . 1 1 163 163 ALA N N 163 122.210 122.210 123.043 -0.833 17717 11846 1 12 . 1 1 163 163 ALA HA H 163 4.260 4.260 4.099 0.161 17717 11847 1 12 . 1 1 163 163 ALA CA C 163 56.560 56.560 57.120 -0.560 17717 11848 1 12 . 1 1 163 163 ALA CB C 163 15.000 15.000 16.231 -1.231 17717 11849 1 12 . 1 1 163 163 ALA H H 163 7.460 7.460 8.151 -0.691 17717 11850 1 12 . 1 1 164 164 PRO CA C 164 62.800 62.800 65.817 -3.017 17717 11851 1 12 . 1 1 164 164 PRO CB C 164 31.500 31.500 31.215 0.285 17717 11852 1 12 . 1 1 165 165 HIS N N 165 120.080 120.080 117.256 2.824 17717 11853 1 12 . 1 1 165 165 HIS HA H 165 4.390 4.390 4.225 0.165 17717 11854 1 12 . 1 1 165 165 HIS CA C 165 56.000 56.000 60.227 -4.227 17717 11855 1 12 . 1 1 165 165 HIS CB C 165 28.400 28.400 29.636 -1.236 17717 11856 1 12 . 1 1 165 165 HIS H H 165 8.060 8.060 7.803 0.257 17717 11857 1 12 . 1 1 166 166 SER N N 166 116.366 116.366 114.435 1.931 17717 11858 1 12 . 1 1 166 166 SER HA H 166 4.300 4.300 4.034 0.266 17717 11859 1 12 . 1 1 166 166 SER CA C 166 61.200 61.200 61.614 -0.414 17717 11860 1 12 . 1 1 166 166 SER CB C 166 63.000 63.000 62.945 0.055 17717 11861 1 12 . 1 1 166 166 SER H H 166 8.040 8.040 8.373 -0.333 17717 11862 1 12 . 1 1 167 167 GLU N N 167 121.678 121.678 120.928 0.750 17717 11863 1 12 . 1 1 167 167 GLU HA H 167 3.922 3.922 4.068 -0.146 17717 11864 1 12 . 1 1 167 167 GLU CA C 167 62.800 62.800 59.163 3.637 17717 11865 1 12 . 1 1 167 167 GLU CB C 167 31.100 31.100 29.521 1.579 17717 11866 1 12 . 1 1 167 167 GLU H H 167 7.760 7.760 7.666 0.094 17717 11867 1 12 . 1 1 168 168 GLN N N 168 121.147 121.147 119.589 1.558 17717 11868 1 12 . 1 1 168 168 GLN HA H 168 4.320 4.320 4.133 0.187 17717 11869 1 12 . 1 1 168 168 GLN CA C 168 55.300 55.300 59.169 -3.869 17717 11870 1 12 . 1 1 168 168 GLN CB C 168 28.200 28.200 29.095 -0.895 17717 11871 1 12 . 1 1 168 168 GLN H H 168 8.450 8.450 8.425 0.025 17717 11872 1 12 . 1 1 170 170 ARG CA C 170 58.370 58.370 59.484 -1.114 17717 11873 1 12 . 1 1 170 170 ARG CB C 170 28.900 28.900 30.109 -1.209 17717 11874 1 12 . 1 1 171 171 GLU N N 171 117.960 117.960 119.750 -1.790 17717 11875 1 12 . 1 1 171 171 GLU HA H 171 4.140 4.140 4.212 -0.072 17717 11876 1 12 . 1 1 171 171 GLU CA C 171 57.300 57.300 58.991 -1.691 17717 11877 1 12 . 1 1 171 171 GLU CB C 171 29.200 29.200 29.746 -0.546 17717 11878 1 12 . 1 1 171 171 GLU H H 171 7.730 7.730 7.876 -0.146 17717 11879 1 12 . 1 1 172 172 SER N N 172 116.366 116.366 117.301 -0.935 17717 11880 1 12 . 1 1 172 172 SER HA H 172 4.270 4.270 4.168 0.102 17717 11881 1 12 . 1 1 172 172 SER CA C 172 58.000 58.000 62.171 -4.171 17717 11882 1 12 . 1 1 172 172 SER CB C 172 63.000 63.000 63.061 -0.061 17717 11883 1 12 . 1 1 172 172 SER H H 172 8.320 8.320 8.807 -0.487 17717 11884 1 12 . 1 1 173 173 LEU N N 173 124.866 124.866 121.085 3.781 17717 11885 1 12 . 1 1 173 173 LEU HA H 173 4.352 4.352 4.060 0.292 17717 11886 1 12 . 1 1 173 173 LEU CA C 173 54.540 54.540 57.702 -3.162 17717 11887 1 12 . 1 1 173 173 LEU CB C 173 41.400 41.400 41.491 -0.091 17717 11888 1 12 . 1 1 173 173 LEU H H 173 8.260 8.260 7.757 0.503 17717 11889 1 12 . 1 1 174 174 ALA N N 174 126.460 126.460 121.567 4.893 17717 11890 1 12 . 1 1 174 174 ALA HA H 174 4.270 4.270 3.760 0.510 17717 11891 1 12 . 1 1 174 174 ALA CA C 174 55.400 55.400 54.864 0.537 17717 11892 1 12 . 1 1 174 174 ALA CB C 174 17.200 17.200 17.946 -0.746 17717 11893 1 12 . 1 1 174 174 ALA H H 174 8.210 8.210 7.455 0.755 17717 11894 1 12 . 1 1 175 175 GLN N N 175 117.430 117.430 118.120 -0.690 17717 11895 1 12 . 1 1 175 175 GLN HA H 175 4.060 4.060 4.011 0.049 17717 11896 1 12 . 1 1 175 175 GLN CA C 175 58.600 58.600 58.175 0.425 17717 11897 1 12 . 1 1 175 175 GLN CB C 175 27.400 27.400 28.652 -1.252 17717 11898 1 12 . 1 1 175 175 GLN H H 175 8.450 8.450 7.772 0.678 17717 11899 1 12 . 1 1 176 176 ARG N N 176 119.550 119.550 121.247 -1.697 17717 11900 1 12 . 1 1 176 176 ARG HA H 176 4.180 4.180 3.905 0.275 17717 11901 1 12 . 1 1 176 176 ARG CA C 176 56.900 56.900 59.766 -2.866 17717 11902 1 12 . 1 1 176 176 ARG CB C 176 29.300 29.300 30.232 -0.932 17717 11903 1 12 . 1 1 176 176 ARG H H 176 8.070 8.070 8.304 -0.234 17717 11904 1 12 . 1 1 177 177 LEU N N 177 115.840 115.840 116.387 -0.547 17717 11905 1 12 . 1 1 177 177 LEU HA H 177 4.180 4.180 3.890 0.290 17717 11906 1 12 . 1 1 177 177 LEU CA C 177 56.900 56.900 57.913 -1.013 17717 11907 1 12 . 1 1 177 177 LEU CB C 177 40.100 40.100 40.927 -0.827 17717 11908 1 12 . 1 1 177 177 LEU H H 177 8.330 8.330 7.606 0.724 17717 11909 1 12 . 1 1 178 178 ALA N N 178 121.220 121.220 120.664 0.556 17717 11910 1 12 . 1 1 178 178 ALA HA H 178 3.880 3.880 3.945 -0.065 17717 11911 1 12 . 1 1 178 178 ALA CA C 178 54.600 54.600 54.708 -0.108 17717 11912 1 12 . 1 1 178 178 ALA CB C 178 16.900 16.900 18.014 -1.114 17717 11913 1 12 . 1 1 178 178 ALA H H 178 8.570 8.570 7.641 0.929 17717 11914 1 12 . 1 1 179 179 GLU N N 179 118.490 118.490 120.182 -1.692 17717 11915 1 12 . 1 1 179 179 GLU HA H 179 4.180 4.180 4.025 0.155 17717 11916 1 12 . 1 1 179 179 GLU CA C 179 56.600 56.600 59.162 -2.562 17717 11917 1 12 . 1 1 179 179 GLU CB C 179 29.000 29.000 29.536 -0.536 17717 11918 1 12 . 1 1 179 179 GLU H H 179 7.680 7.680 7.793 -0.113 17717 11919 1 12 . 1 1 180 180 LEU N N 180 117.730 117.730 118.183 -0.453 17717 11920 1 12 . 1 1 180 180 LEU HA H 180 4.265 4.265 3.883 0.382 17717 11921 1 12 . 1 1 180 180 LEU CA C 180 55.020 55.020 57.267 -2.247 17717 11922 1 12 . 1 1 180 180 LEU CB C 180 41.100 41.100 41.302 -0.202 17717 11923 1 12 . 1 1 180 180 LEU H H 180 7.680 7.680 7.391 0.289 17717 11924 1 12 . 1 1 181 181 LYS N N 181 117.400 117.400 119.331 -1.931 17717 11925 1 12 . 1 1 181 181 LYS HA H 181 4.480 4.480 4.045 0.435 17717 11926 1 12 . 1 1 181 181 LYS CA C 181 61.900 61.900 58.648 3.252 17717 11927 1 12 . 1 1 181 181 LYS CB C 181 31.800 31.800 32.769 -0.969 17717 11928 1 12 . 1 1 181 181 LYS H H 181 7.510 7.510 7.833 -0.323 17717 11929 1 12 . 1 1 182 182 SER N N 182 114.010 114.010 112.848 1.162 17717 11930 1 12 . 1 1 182 182 SER HA H 182 4.350 4.350 4.331 0.019 17717 11931 1 12 . 1 1 182 182 SER CA C 182 58.000 58.000 59.755 -1.755 17717 11932 1 12 . 1 1 182 182 SER CB C 182 63.300 63.300 64.215 -0.915 17717 11933 1 12 . 1 1 182 182 SER H H 182 7.920 7.920 7.884 0.036 17717 11934 1 12 . 1 1 183 183 ASN N N 183 123.040 123.040 119.459 3.581 17717 11935 1 12 . 1 1 183 183 ASN HA H 183 4.310 4.310 4.612 -0.302 17717 11936 1 12 . 1 1 183 183 ASN CA C 183 55.115 55.115 52.983 2.132 17717 11937 1 12 . 1 1 183 183 ASN CB C 183 37.838 37.838 38.221 -0.383 17717 11938 1 12 . 1 1 183 183 ASN H H 183 8.250 8.250 7.878 0.372 17717 11939 1 12 . 1 1 184 184 PRO CA C 184 63.180 63.180 64.473 -1.293 17717 11940 1 12 . 1 1 184 184 PRO CB C 184 31.400 31.400 32.396 -0.996 17717 11941 1 12 . 1 1 185 185 THR N N 185 114.240 114.240 110.703 3.537 17717 11942 1 12 . 1 1 185 185 THR HA H 185 4.270 4.270 4.479 -0.209 17717 11943 1 12 . 1 1 185 185 THR CA C 185 61.200 61.200 61.563 -0.363 17717 11944 1 12 . 1 1 185 185 THR CB C 185 69.100 69.100 70.468 -1.368 17717 11945 1 12 . 1 1 185 185 THR H H 185 8.150 8.150 7.762 0.388 17717 11946 1 12 . 1 1 186 186 LEU N N 186 123.270 123.270 118.669 4.601 17717 11947 1 12 . 1 1 186 186 LEU HA H 186 4.350 4.350 4.772 -0.422 17717 11948 1 12 . 1 1 186 186 LEU CA C 186 55.000 55.000 55.669 -0.669 17717 11949 1 12 . 1 1 186 186 LEU CB C 186 41.000 41.000 44.074 -3.074 17717 11950 1 12 . 1 1 186 186 LEU H H 186 8.430 8.430 8.088 0.342 17717 11951 1 12 . 1 1 187 187 ASN N N 187 119.020 119.020 120.624 -1.604 17717 11952 1 12 . 1 1 187 187 ASN HA H 187 4.530 4.530 4.855 -0.325 17717 11953 1 12 . 1 1 187 187 ASN CA C 187 53.400 53.400 52.990 0.410 17717 11954 1 12 . 1 1 187 187 ASN CB C 187 37.900 37.900 39.221 -1.321 17717 11955 1 12 . 1 1 187 187 ASN H H 187 8.370 8.370 8.492 -0.122 17717 11956 1 12 . 1 1 188 188 GLU N N 188 123.270 123.270 123.270 0.000 17717 11957 1 12 . 1 1 188 188 GLU HA H 188 4.000 4.000 4.154 -0.154 17717 11958 1 12 . 1 1 188 188 GLU CA C 188 61.700 61.700 56.563 5.137 17717 11959 1 12 . 1 1 188 188 GLU CB C 188 32.100 32.100 28.323 3.777 17717 11960 1 12 . 1 1 188 188 GLU H H 188 7.870 7.870 8.520 -0.650 17717 11961 1 12 . 1 1 189 189 TYR N N 189 122.210 122.210 127.941 -5.731 17717 11962 1 12 . 1 1 189 189 TYR HA H 189 4.440 4.440 4.183 0.257 17717 11963 1 12 . 1 1 189 189 TYR CA C 189 57.120 57.120 56.403 0.717 17717 11964 1 12 . 1 1 189 189 TYR CB C 189 40.000 40.000 36.657 3.343 17717 11965 1 12 . 1 1 189 189 TYR H H 189 8.590 8.590 8.241 0.349 17717 11966 1 12 . 1 1 190 190 HIS N N 190 124.866 124.866 116.858 8.008 17717 11967 1 12 . 1 1 190 190 HIS HA H 190 4.780 4.780 4.239 0.541 17717 11968 1 12 . 1 1 190 190 HIS CA C 190 56.000 56.000 56.375 -0.375 17717 11969 1 12 . 1 1 190 190 HIS CB C 190 29.400 29.400 27.348 2.052 17717 11970 1 12 . 1 1 190 190 HIS H H 190 8.420 8.420 8.106 0.314 17717 11971 1 12 . 1 1 191 191 SER N N 191 117.429 117.429 112.485 4.944 17717 11972 1 12 . 1 1 191 191 SER HA H 191 4.140 4.140 4.311 -0.171 17717 11973 1 12 . 1 1 191 191 SER CA C 191 58.140 58.140 59.540 -1.400 17717 11974 1 12 . 1 1 191 191 SER CB C 191 63.140 63.140 63.010 0.130 17717 11975 1 12 . 1 1 191 191 SER H H 191 8.270 8.270 8.259 0.011 17717 11976 1 12 . 1 1 192 192 SER N N 192 124.335 124.335 123.518 0.817 17717 11977 1 12 . 1 1 192 192 SER HA H 192 4.730 4.730 4.748 -0.018 17717 11978 1 12 . 1 1 192 192 SER CA C 192 59.020 59.020 59.115 -0.095 17717 11979 1 12 . 1 1 192 192 SER CB C 192 63.000 63.000 65.016 -2.017 17717 11980 1 12 . 1 1 192 192 SER H H 192 8.010 8.010 8.610 -0.600 17717 11981 1 12 . 1 1 193 193 ALA N N 193 125.930 125.930 122.896 3.034 17717 11982 1 12 . 1 1 193 193 ALA HA H 193 4.310 4.310 3.753 0.557 17717 11983 1 12 . 1 1 193 193 ALA CA C 193 52.300 52.300 52.384 -0.084 17717 11984 1 12 . 1 1 193 193 ALA CB C 193 18.000 18.000 19.578 -1.578 17717 11985 1 12 . 1 1 193 193 ALA H H 193 8.100 8.100 8.263 -0.163 17717 11986 1 12 . 1 1 194 194 LYS N N 194 126.460 126.460 121.549 4.911 17717 11987 1 12 . 1 1 194 194 LYS HA H 194 4.220 4.220 4.295 -0.075 17717 11988 1 12 . 1 1 194 194 LYS CA C 194 56.600 56.600 56.351 0.249 17717 11989 1 12 . 1 1 194 194 LYS CB C 194 33.000 33.000 34.365 -1.365 17717 11990 1 12 . 1 1 194 194 LYS H H 194 7.860 7.860 7.721 0.139 17717 11991 1 12 . 1 1 195 195 SER N N 195 117.429 117.429 117.487 -0.058 17717 11992 1 12 . 1 1 195 195 SER HA H 195 4.430 4.430 4.161 0.269 17717 11993 1 12 . 1 1 195 195 SER CA C 195 58.499 58.499 59.320 -0.821 17717 11994 1 12 . 1 1 195 195 SER CB C 195 63.129 63.129 62.061 1.068 17717 11995 1 12 . 1 1 195 195 SER H H 195 8.240 8.240 8.762 -0.522 17717 11996 1 12 . 1 1 196 196 HIS N N 196 122.440 122.440 119.996 2.444 17717 11997 1 12 . 1 1 196 196 HIS HA H 196 4.222 4.222 4.216 0.006 17717 11998 1 12 . 1 1 196 196 HIS CA C 196 55.743 55.743 58.551 -2.808 17717 11999 1 12 . 1 1 196 196 HIS CB C 196 28.566 28.566 29.798 -1.232 17717 12000 1 12 . 1 1 196 196 HIS H H 196 8.044 8.044 8.503 -0.459 17717 12001 1 12 . 1 1 197 197 LEU N N 197 117.429 117.429 120.444 -3.015 17717 12002 1 12 . 1 1 197 197 LEU HA H 197 4.179 4.179 4.177 0.002 17717 12003 1 12 . 1 1 197 197 LEU CA C 197 54.540 54.540 57.974 -3.434 17717 12004 1 12 . 1 1 197 197 LEU CB C 197 40.040 40.040 41.917 -1.877 17717 12005 1 12 . 1 1 197 197 LEU H H 197 8.044 8.044 8.229 -0.185 17717 12006 1 12 . 1 1 198 198 LYS N N 198 117.430 117.430 119.899 -2.469 17717 12007 1 12 . 1 1 198 198 LYS HA H 198 4.140 4.140 3.993 0.147 17717 12008 1 12 . 1 1 198 198 LYS CA C 198 57.600 57.600 59.372 -1.772 17717 12009 1 12 . 1 1 198 198 LYS CB C 198 32.000 32.000 32.039 -0.039 17717 12010 1 12 . 1 1 198 198 LYS H H 198 7.510 7.510 7.965 -0.455 17717 12011 1 12 . 1 1 199 199 SER N N 199 114.315 114.315 116.077 -1.762 17717 12012 1 12 . 1 1 199 199 SER HA H 199 4.310 4.310 3.993 0.317 17717 12013 1 12 . 1 1 199 199 SER CA C 199 62.000 62.000 61.371 0.629 17717 12014 1 12 . 1 1 199 199 SER CB C 199 63.600 63.600 62.499 1.101 17717 12015 1 12 . 1 1 199 199 SER H H 199 7.930 7.930 8.310 -0.380 17717 12016 1 12 . 1 1 200 200 LEU N N 200 124.335 124.335 121.764 2.571 17717 12017 1 12 . 1 1 200 200 LEU HA H 200 4.260 4.260 4.249 0.011 17717 12018 1 12 . 1 1 200 200 LEU CA C 200 55.200 55.200 57.721 -2.521 17717 12019 1 12 . 1 1 200 200 LEU CB C 200 41.200 41.200 41.539 -0.339 17717 12020 1 12 . 1 1 200 200 LEU H H 200 8.170 8.170 7.413 0.757 17717 12021 1 12 . 1 1 201 201 GLY N N 201 109.990 109.990 106.180 3.810 17717 12022 1 12 . 1 1 201 201 GLY CA C 201 44.700 44.700 46.860 -2.160 17717 12023 1 12 . 1 1 201 201 GLY H H 201 8.290 8.290 7.608 0.682 17717 12024 1 12 . 1 1 202 202 GLU N N 202 126.460 126.460 119.480 6.980 17717 12025 1 12 . 1 1 202 202 GLU HA H 202 4.220 4.220 4.210 0.010 17717 12026 1 12 . 1 1 202 202 GLU CA C 202 56.600 56.600 58.203 -1.603 17717 12027 1 12 . 1 1 202 202 GLU CB C 202 32.800 32.800 29.866 2.934 17717 12028 1 12 . 1 1 202 202 GLU H H 202 7.750 7.750 7.669 0.081 17717 12029 1 12 . 1 1 203 203 LYS CA C 203 55.775 55.775 55.055 0.720 17717 12030 1 12 . 1 1 203 203 LYS CB C 203 32.283 32.283 33.159 -0.876 17717 12031 1 12 . 1 1 204 204 ALA N N 204 125.390 125.390 122.359 3.031 17717 12032 1 12 . 1 1 204 204 ALA HA H 204 4.310 4.310 4.538 -0.228 17717 12033 1 12 . 1 1 204 204 ALA CA C 204 52.000 52.000 50.941 1.058 17717 12034 1 12 . 1 1 204 204 ALA CB C 204 18.400 18.400 20.910 -2.510 17717 12035 1 12 . 1 1 204 204 ALA H H 204 8.180 8.180 7.139 1.041 17717 12036 1 12 . 1 1 205 205 ARG N N 205 121.150 121.150 118.914 2.236 17717 12037 1 12 . 1 1 205 205 ARG HA H 205 4.270 4.270 4.357 -0.087 17717 12038 1 12 . 1 1 205 205 ARG CA C 205 56.384 56.384 55.041 1.343 17717 12039 1 12 . 1 1 205 205 ARG CB C 205 29.193 29.193 30.073 -0.880 17717 12040 1 12 . 1 1 205 205 ARG H H 205 8.350 8.350 8.482 -0.132 17717 12041 1 12 . 1 1 206 206 PRO CA C 206 62.600 62.600 63.797 -1.197 17717 12042 1 12 . 1 1 206 206 PRO CB C 206 31.400 31.400 30.133 1.267 17717 12043 1 12 . 1 1 207 207 ALA N N 207 125.400 125.400 124.438 0.962 17717 12044 1 12 . 1 1 207 207 ALA HA H 207 4.308 4.308 4.317 -0.009 17717 12045 1 12 . 1 1 207 207 ALA CA C 207 51.700 51.700 53.042 -1.342 17717 12046 1 12 . 1 1 207 207 ALA CB C 207 18.200 18.200 19.851 -1.651 17717 12047 1 12 . 1 1 207 207 ALA H H 207 8.400 8.400 8.441 -0.041 17717 12048 1 12 . 1 1 208 208 LEU N N 208 121.680 121.680 122.013 -0.333 17717 12049 1 12 . 1 1 208 208 LEU HA H 208 4.480 4.480 4.162 0.318 17717 12050 1 12 . 1 1 208 208 LEU CA C 208 55.100 55.100 57.081 -1.981 17717 12051 1 12 . 1 1 208 208 LEU CB C 208 41.200 41.200 42.333 -1.133 17717 12052 1 12 . 1 1 208 208 LEU H H 208 8.180 8.180 7.851 0.329 17717 12053 1 12 . 1 1 209 209 GLU N N 209 121.147 121.147 118.987 2.160 17717 12054 1 12 . 1 1 209 209 GLU HA H 209 4.180 4.180 3.933 0.247 17717 12055 1 12 . 1 1 209 209 GLU CA C 209 56.477 56.477 60.035 -3.558 17717 12056 1 12 . 1 1 209 209 GLU CB C 209 29.250 29.250 29.386 -0.136 17717 12057 1 12 . 1 1 209 209 GLU H H 209 8.380 8.380 8.496 -0.116 17717 12058 1 12 . 1 1 210 210 ASP N N 210 121.147 121.147 119.491 1.656 17717 12059 1 12 . 1 1 210 210 ASP HA H 210 4.260 4.260 4.524 -0.264 17717 12060 1 12 . 1 1 210 210 ASP CA C 210 55.000 55.000 56.765 -1.765 17717 12061 1 12 . 1 1 210 210 ASP CB C 210 37.200 37.200 40.800 -3.600 17717 12062 1 12 . 1 1 210 210 ASP H H 210 8.280 8.280 7.693 0.587 17717 12063 1 12 . 1 1 211 211 LEU N N 211 122.210 122.210 119.450 2.760 17717 12064 1 12 . 1 1 211 211 LEU HA H 211 4.220 4.220 4.171 0.049 17717 12065 1 12 . 1 1 211 211 LEU CA C 211 57.400 57.400 56.815 0.585 17717 12066 1 12 . 1 1 211 211 LEU CB C 211 39.430 39.430 41.704 -2.274 17717 12067 1 12 . 1 1 211 211 LEU H H 211 8.640 8.640 7.584 1.056 17717 12068 1 12 . 1 1 212 212 ARG N N 212 119.550 119.550 117.841 1.709 17717 12069 1 12 . 1 1 212 212 ARG HA H 212 4.220 4.220 3.940 0.280 17717 12070 1 12 . 1 1 212 212 ARG CA C 212 57.400 57.400 58.586 -1.186 17717 12071 1 12 . 1 1 212 212 ARG CB C 212 29.600 29.600 30.458 -0.858 17717 12072 1 12 . 1 1 212 212 ARG H H 212 7.910 7.910 7.922 -0.012 17717 12073 1 12 . 1 1 213 213 HIS CA C 213 56.200 56.200 58.338 -2.138 17717 12074 1 12 . 1 1 213 213 HIS CB C 213 31.900 31.900 30.627 1.273 17717 12075 1 12 . 1 1 214 214 SER N N 214 116.366 116.366 116.349 0.017 17717 12076 1 12 . 1 1 214 214 SER HA H 214 4.265 4.265 4.491 -0.226 17717 12077 1 12 . 1 1 214 214 SER CA C 214 61.100 61.100 58.727 2.373 17717 12078 1 12 . 1 1 214 214 SER CB C 214 63.100 63.100 62.865 0.235 17717 12079 1 12 . 1 1 214 214 SER H H 214 8.140 8.140 7.755 0.385 17717 12080 1 12 . 1 1 215 215 LEU N N 215 130.565 130.565 126.987 3.578 17717 12081 1 12 . 1 1 215 215 LEU HA H 215 4.730 4.730 4.709 0.021 17717 12082 1 12 . 1 1 215 215 LEU CA C 215 54.900 54.900 54.038 0.862 17717 12083 1 12 . 1 1 215 215 LEU CB C 215 42.000 42.000 45.339 -3.338 17717 12084 1 12 . 1 1 215 215 LEU H H 215 7.890 7.890 7.963 -0.073 17717 12085 1 13 . 1 1 2 2 GLU N N 2 121.678 121.678 121.499 0.179 17717 12086 1 13 . 1 1 2 2 GLU HA H 2 4.488 4.488 4.704 -0.216 17717 12087 1 13 . 1 1 2 2 GLU CA C 2 56.418 56.418 54.724 1.694 17717 12088 1 13 . 1 1 2 2 GLU CB C 2 29.014 29.014 30.674 -1.659 17717 12089 1 13 . 1 1 2 2 GLU H H 2 8.276 8.276 8.381 -0.105 17717 12090 1 13 . 1 1 3 3 PRO CA C 3 62.923 62.923 63.449 -0.526 17717 12091 1 13 . 1 1 3 3 PRO CB C 3 31.547 31.547 30.785 0.763 17717 12092 1 13 . 1 1 4 4 GLN N N 4 121.147 121.147 122.828 -1.681 17717 12093 1 13 . 1 1 4 4 GLN HA H 4 4.349 4.349 4.711 -0.362 17717 12094 1 13 . 1 1 4 4 GLN CA C 4 55.450 55.450 54.606 0.844 17717 12095 1 13 . 1 1 4 4 GLN CB C 4 28.854 28.854 31.409 -2.555 17717 12096 1 13 . 1 1 4 4 GLN H H 4 8.500 8.500 8.624 -0.124 17717 12097 1 13 . 1 1 5 5 SER N N 5 117.429 117.429 112.580 4.849 17717 12098 1 13 . 1 1 5 5 SER HA H 5 4.329 4.329 3.654 0.675 17717 12099 1 13 . 1 1 5 5 SER CA C 5 58.100 58.100 57.578 0.522 17717 12100 1 13 . 1 1 5 5 SER CB C 5 63.485 63.485 63.964 -0.479 17717 12101 1 13 . 1 1 5 5 SER H H 5 8.370 8.370 8.314 0.056 17717 12102 1 13 . 1 1 6 6 GLN N N 6 123.803 123.803 122.684 1.119 17717 12103 1 13 . 1 1 6 6 GLN CA C 6 56.330 56.330 59.334 -3.005 17717 12104 1 13 . 1 1 6 6 GLN CB C 6 28.800 28.800 28.924 -0.124 17717 12105 1 13 . 1 1 6 6 GLN H H 6 8.620 8.620 8.385 0.235 17717 12106 1 13 . 1 1 7 7 TRP N N 7 119.022 119.022 119.245 -0.223 17717 12107 1 13 . 1 1 7 7 TRP HA H 7 4.394 4.394 4.429 -0.035 17717 12108 1 13 . 1 1 7 7 TRP CA C 7 59.800 59.800 59.886 -0.086 17717 12109 1 13 . 1 1 7 7 TRP CB C 7 27.800 27.800 27.906 -0.106 17717 12110 1 13 . 1 1 7 7 TRP H H 7 7.970 7.970 8.330 -0.360 17717 12111 1 13 . 1 1 8 8 ASP N N 8 121.678 121.678 119.843 1.835 17717 12112 1 13 . 1 1 8 8 ASP HA H 8 4.409 4.409 4.333 0.076 17717 12113 1 13 . 1 1 8 8 ASP CA C 8 56.912 56.912 57.695 -0.783 17717 12114 1 13 . 1 1 8 8 ASP CB C 8 38.400 38.400 40.088 -1.688 17717 12115 1 13 . 1 1 8 8 ASP H H 8 8.440 8.440 7.610 0.830 17717 12116 1 13 . 1 1 9 9 LYS N N 9 120.616 120.616 120.619 -0.003 17717 12117 1 13 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.104 -0.014 17717 12118 1 13 . 1 1 9 9 LYS CA C 9 58.277 58.277 58.444 -0.167 17717 12119 1 13 . 1 1 9 9 LYS CB C 9 31.550 31.550 32.169 -0.619 17717 12120 1 13 . 1 1 9 9 LYS H H 9 7.830 7.830 7.285 0.545 17717 12121 1 13 . 1 1 10 10 VAL N N 10 118.491 118.491 115.921 2.570 17717 12122 1 13 . 1 1 10 10 VAL HA H 10 3.830 3.830 4.118 -0.288 17717 12123 1 13 . 1 1 10 10 VAL CA C 10 65.630 65.630 66.576 -0.946 17717 12124 1 13 . 1 1 10 10 VAL CB C 10 31.300 31.300 31.284 0.016 17717 12125 1 13 . 1 1 10 10 VAL H H 10 7.160 7.160 8.165 -1.005 17717 12126 1 13 . 1 1 11 11 LYS N N 11 122.210 122.210 119.133 3.077 17717 12127 1 13 . 1 1 11 11 LYS HA H 11 3.880 3.880 3.824 0.056 17717 12128 1 13 . 1 1 11 11 LYS CA C 11 59.460 59.460 59.312 0.148 17717 12129 1 13 . 1 1 11 11 LYS CB C 11 31.200 31.200 32.002 -0.802 17717 12130 1 13 . 1 1 11 11 LYS H H 11 8.660 8.660 7.673 0.987 17717 12131 1 13 . 1 1 12 12 ASP N N 12 119.553 119.553 120.444 -0.891 17717 12132 1 13 . 1 1 12 12 ASP HA H 12 4.140 4.140 4.461 -0.321 17717 12133 1 13 . 1 1 12 12 ASP CA C 12 57.381 57.381 57.337 0.044 17717 12134 1 13 . 1 1 12 12 ASP CB C 12 39.800 39.800 40.848 -1.048 17717 12135 1 13 . 1 1 12 12 ASP H H 12 7.790 7.790 7.809 -0.019 17717 12136 1 13 . 1 1 13 13 PHE N N 13 116.500 116.500 118.630 -2.130 17717 12137 1 13 . 1 1 13 13 PHE HA H 13 4.690 4.690 4.349 0.341 17717 12138 1 13 . 1 1 13 13 PHE CA C 13 58.662 58.662 60.090 -1.427 17717 12139 1 13 . 1 1 13 13 PHE CB C 13 38.700 38.700 37.902 0.798 17717 12140 1 13 . 1 1 13 13 PHE H H 13 7.680 7.680 7.650 0.030 17717 12141 1 13 . 1 1 14 14 ALA N N 14 122.209 122.209 122.701 -0.492 17717 12142 1 13 . 1 1 14 14 ALA HA H 14 4.008 4.008 3.956 0.052 17717 12143 1 13 . 1 1 14 14 ALA CA C 14 54.550 54.550 54.825 -0.275 17717 12144 1 13 . 1 1 14 14 ALA CB C 14 17.250 17.250 18.038 -0.787 17717 12145 1 13 . 1 1 14 14 ALA H H 14 8.760 8.760 7.271 1.489 17717 12146 1 13 . 1 1 15 15 ASN N N 15 119.553 119.553 115.040 4.513 17717 12147 1 13 . 1 1 15 15 ASN HA H 15 4.520 4.520 4.390 0.130 17717 12148 1 13 . 1 1 15 15 ASN CA C 15 56.084 56.084 55.209 0.875 17717 12149 1 13 . 1 1 15 15 ASN CB C 15 38.544 38.544 38.427 0.117 17717 12150 1 13 . 1 1 15 15 ASN H H 15 8.930 8.930 7.575 1.355 17717 12151 1 13 . 1 1 16 16 VAL N N 16 116.897 116.897 122.010 -5.113 17717 12152 1 13 . 1 1 16 16 VAL HA H 16 3.590 3.590 3.657 -0.067 17717 12153 1 13 . 1 1 16 16 VAL CA C 16 64.600 64.600 67.824 -3.224 17717 12154 1 13 . 1 1 16 16 VAL CB C 16 31.800 31.800 31.700 0.100 17717 12155 1 13 . 1 1 16 16 VAL H H 16 7.870 7.870 7.467 0.403 17717 12156 1 13 . 1 1 17 17 TYR N N 17 112.116 112.116 117.715 -5.599 17717 12157 1 13 . 1 1 17 17 TYR HA H 17 4.751 4.751 4.269 0.482 17717 12158 1 13 . 1 1 17 17 TYR CA C 17 59.040 59.040 61.115 -2.075 17717 12159 1 13 . 1 1 17 17 TYR CB C 17 39.060 39.060 37.287 1.773 17717 12160 1 13 . 1 1 17 17 TYR H H 17 8.000 8.000 8.247 -0.247 17717 12161 1 13 . 1 1 18 18 VAL N N 18 114.241 114.241 119.891 -5.650 17717 12162 1 13 . 1 1 18 18 VAL HA H 18 4.220 4.220 3.327 0.893 17717 12163 1 13 . 1 1 18 18 VAL CA C 18 63.520 63.520 66.473 -2.953 17717 12164 1 13 . 1 1 18 18 VAL CB C 18 31.128 31.128 31.352 -0.223 17717 12165 1 13 . 1 1 18 18 VAL H H 18 7.600 7.600 6.815 0.785 17717 12166 1 13 . 1 1 19 19 ASP N N 19 123.272 123.272 120.198 3.074 17717 12167 1 13 . 1 1 19 19 ASP HA H 19 4.523 4.523 4.392 0.131 17717 12168 1 13 . 1 1 19 19 ASP CA C 19 56.445 56.445 57.708 -1.263 17717 12169 1 13 . 1 1 19 19 ASP CB C 19 38.700 38.700 40.989 -2.289 17717 12170 1 13 . 1 1 19 19 ASP H H 19 8.890 8.890 8.180 0.710 17717 12171 1 13 . 1 1 20 20 ALA N N 20 118.491 118.491 122.867 -4.376 17717 12172 1 13 . 1 1 20 20 ALA HA H 20 4.230 4.230 4.300 -0.070 17717 12173 1 13 . 1 1 20 20 ALA CA C 20 54.100 54.100 55.223 -1.123 17717 12174 1 13 . 1 1 20 20 ALA CB C 20 18.760 18.760 19.026 -0.266 17717 12175 1 13 . 1 1 20 20 ALA H H 20 6.630 6.630 7.625 -0.995 17717 12176 1 13 . 1 1 21 21 VAL N N 21 116.897 116.897 116.851 0.046 17717 12177 1 13 . 1 1 21 21 VAL HA H 21 3.664 3.664 3.785 -0.121 17717 12178 1 13 . 1 1 21 21 VAL CA C 21 66.200 66.200 65.565 0.635 17717 12179 1 13 . 1 1 21 21 VAL CB C 21 30.460 30.460 30.841 -0.382 17717 12180 1 13 . 1 1 21 21 VAL H H 21 7.410 7.410 7.751 -0.341 17717 12181 1 13 . 1 1 22 22 LYS N N 22 121.147 121.147 120.590 0.557 17717 12182 1 13 . 1 1 22 22 LYS HA H 22 4.222 4.222 4.084 0.138 17717 12183 1 13 . 1 1 22 22 LYS CA C 22 59.300 59.300 59.344 -0.044 17717 12184 1 13 . 1 1 22 22 LYS CB C 22 31.100 31.100 32.066 -0.966 17717 12185 1 13 . 1 1 22 22 LYS H H 22 8.180 8.180 8.184 -0.004 17717 12186 1 13 . 1 1 23 23 ASP N N 23 121.278 121.278 119.306 1.972 17717 12187 1 13 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.524 0.042 17717 12188 1 13 . 1 1 23 23 ASP CA C 23 56.300 56.300 57.273 -0.973 17717 12189 1 13 . 1 1 23 23 ASP CB C 23 38.800 38.800 40.899 -2.099 17717 12190 1 13 . 1 1 23 23 ASP H H 23 8.860 8.860 7.892 0.968 17717 12191 1 13 . 1 1 24 24 SER N N 24 118.491 118.491 115.356 3.135 17717 12192 1 13 . 1 1 24 24 SER HA H 24 4.132 4.132 3.870 0.262 17717 12193 1 13 . 1 1 24 24 SER CA C 24 61.600 61.600 60.642 0.958 17717 12194 1 13 . 1 1 24 24 SER CB C 24 62.442 62.442 62.150 0.292 17717 12195 1 13 . 1 1 24 24 SER H H 24 7.950 7.950 8.209 -0.259 17717 12196 1 13 . 1 1 25 25 GLY N N 25 108.377 108.377 110.948 -2.571 17717 12197 1 13 . 1 1 25 25 GLY CA C 25 44.400 44.400 46.727 -2.326 17717 12198 1 13 . 1 1 25 25 GLY H H 25 7.560 7.560 7.737 -0.177 17717 12199 1 13 . 1 1 26 26 ARG N N 26 124.240 124.240 121.398 2.842 17717 12200 1 13 . 1 1 26 26 ARG HA H 26 4.303 4.303 4.142 0.161 17717 12201 1 13 . 1 1 26 26 ARG CA C 26 54.000 54.000 58.456 -4.456 17717 12202 1 13 . 1 1 26 26 ARG CB C 26 28.240 28.240 29.855 -1.615 17717 12203 1 13 . 1 1 26 26 ARG H H 26 8.200 8.200 7.803 0.397 17717 12204 1 13 . 1 1 27 27 ASP N N 27 121.678 121.678 117.893 3.785 17717 12205 1 13 . 1 1 27 27 ASP HA H 27 4.211 4.211 4.545 -0.334 17717 12206 1 13 . 1 1 27 27 ASP CA C 27 58.380 58.380 57.204 1.176 17717 12207 1 13 . 1 1 27 27 ASP CB C 27 40.400 40.400 41.686 -1.286 17717 12208 1 13 . 1 1 27 27 ASP H H 27 7.880 7.880 7.717 0.163 17717 12209 1 13 . 1 1 28 28 TYR N N 28 121.440 121.440 121.961 -0.521 17717 12210 1 13 . 1 1 28 28 TYR HA H 28 4.480 4.480 4.408 0.072 17717 12211 1 13 . 1 1 28 28 TYR CA C 28 57.800 57.800 60.192 -2.392 17717 12212 1 13 . 1 1 28 28 TYR CB C 28 38.322 38.322 38.807 -0.485 17717 12213 1 13 . 1 1 28 28 TYR H H 28 8.020 8.020 8.251 -0.231 17717 12214 1 13 . 1 1 29 29 VAL N N 29 123.272 123.272 118.491 4.781 17717 12215 1 13 . 1 1 29 29 VAL HA H 29 4.040 4.040 3.560 0.480 17717 12216 1 13 . 1 1 29 29 VAL CA C 29 66.400 66.400 64.631 1.769 17717 12217 1 13 . 1 1 29 29 VAL CB C 29 30.500 30.500 30.997 -0.497 17717 12218 1 13 . 1 1 29 29 VAL H H 29 8.280 8.280 8.271 0.009 17717 12219 1 13 . 1 1 30 30 SER N N 30 117.429 117.429 116.226 1.203 17717 12220 1 13 . 1 1 30 30 SER HA H 30 4.000 4.000 4.093 -0.093 17717 12221 1 13 . 1 1 30 30 SER CA C 30 61.070 61.070 61.944 -0.874 17717 12222 1 13 . 1 1 30 30 SER CB C 30 62.000 62.000 62.670 -0.670 17717 12223 1 13 . 1 1 30 30 SER H H 30 8.930 8.930 7.636 1.294 17717 12224 1 13 . 1 1 31 31 GLN N N 31 121.147 121.147 121.191 -0.044 17717 12225 1 13 . 1 1 31 31 GLN HA H 31 4.136 4.136 4.042 0.094 17717 12226 1 13 . 1 1 31 31 GLN CA C 31 58.210 58.210 58.391 -0.181 17717 12227 1 13 . 1 1 31 31 GLN CB C 31 27.600 27.600 28.383 -0.783 17717 12228 1 13 . 1 1 31 31 GLN H H 31 7.740 7.740 7.383 0.357 17717 12229 1 13 . 1 1 32 32 PHE N N 32 117.429 117.429 119.715 -2.286 17717 12230 1 13 . 1 1 32 32 PHE HA H 32 4.020 4.020 3.910 0.110 17717 12231 1 13 . 1 1 32 32 PHE CA C 32 60.600 60.600 61.020 -0.420 17717 12232 1 13 . 1 1 32 32 PHE CB C 32 36.896 36.896 38.579 -1.683 17717 12233 1 13 . 1 1 32 32 PHE H H 32 7.200 7.200 7.539 -0.339 17717 12234 1 13 . 1 1 33 33 GLU N N 33 122.210 122.210 117.991 4.219 17717 12235 1 13 . 1 1 33 33 GLU HA H 33 4.769 4.769 3.562 1.207 17717 12236 1 13 . 1 1 33 33 GLU CA C 33 59.220 59.220 58.780 0.440 17717 12237 1 13 . 1 1 33 33 GLU CB C 33 29.240 29.240 29.043 0.197 17717 12238 1 13 . 1 1 33 33 GLU H H 33 8.160 8.160 7.686 0.474 17717 12239 1 13 . 1 1 34 34 SER N N 34 109.991 109.991 113.543 -3.552 17717 12240 1 13 . 1 1 34 34 SER HA H 34 4.309 4.309 4.239 0.070 17717 12241 1 13 . 1 1 34 34 SER CA C 34 58.240 58.240 60.572 -2.332 17717 12242 1 13 . 1 1 34 34 SER CB C 34 63.260 63.260 62.865 0.395 17717 12243 1 13 . 1 1 34 34 SER H H 34 7.890 7.890 7.369 0.521 17717 12244 1 13 . 1 1 35 35 SER N N 35 120.085 120.085 118.583 1.502 17717 12245 1 13 . 1 1 35 35 SER HA H 35 4.354 4.354 4.037 0.317 17717 12246 1 13 . 1 1 35 35 SER CA C 35 58.100 58.100 61.874 -3.774 17717 12247 1 13 . 1 1 35 35 SER CB C 35 64.398 64.398 62.721 1.677 17717 12248 1 13 . 1 1 35 35 SER H H 35 7.420 7.420 8.125 -0.705 17717 12249 1 13 . 1 1 36 36 SER N N 36 116.130 116.130 118.613 -2.483 17717 12250 1 13 . 1 1 36 36 SER HA H 36 4.350 4.350 4.072 0.278 17717 12251 1 13 . 1 1 36 36 SER CA C 36 58.600 58.600 61.829 -3.229 17717 12252 1 13 . 1 1 36 36 SER CB C 36 63.370 63.370 62.757 0.613 17717 12253 1 13 . 1 1 36 36 SER H H 36 8.100 8.100 7.496 0.604 17717 12254 1 13 . 1 1 37 37 LEU N N 37 121.678 121.678 121.683 -0.005 17717 12255 1 13 . 1 1 37 37 LEU HA H 37 4.222 4.222 4.065 0.157 17717 12256 1 13 . 1 1 37 37 LEU CA C 37 56.400 56.400 57.118 -0.718 17717 12257 1 13 . 1 1 37 37 LEU CB C 37 41.200 41.200 41.796 -0.596 17717 12258 1 13 . 1 1 37 37 LEU H H 37 8.290 8.290 7.404 0.886 17717 12259 1 13 . 1 1 38 38 GLY N N 38 108.400 108.400 104.520 3.880 17717 12260 1 13 . 1 1 38 38 GLY CA C 38 46.220 46.220 46.532 -0.312 17717 12261 1 13 . 1 1 38 38 GLY H H 38 7.280 7.280 8.088 -0.808 17717 12262 1 13 . 1 1 39 39 GLN N N 39 120.920 120.920 122.384 -1.464 17717 12263 1 13 . 1 1 39 39 GLN HA H 39 4.092 4.092 4.048 0.044 17717 12264 1 13 . 1 1 39 39 GLN CA C 39 57.423 57.423 58.745 -1.322 17717 12265 1 13 . 1 1 39 39 GLN CB C 39 28.847 28.847 28.490 0.357 17717 12266 1 13 . 1 1 39 39 GLN H H 39 8.360 8.360 7.841 0.519 17717 12267 1 13 . 1 1 40 40 GLN N N 40 118.648 118.648 119.174 -0.526 17717 12268 1 13 . 1 1 40 40 GLN HA H 40 4.040 4.040 4.141 -0.101 17717 12269 1 13 . 1 1 40 40 GLN CA C 40 57.471 57.471 58.504 -1.033 17717 12270 1 13 . 1 1 40 40 GLN CB C 40 28.777 28.777 28.461 0.316 17717 12271 1 13 . 1 1 40 40 GLN H H 40 7.630 7.630 7.732 -0.102 17717 12272 1 13 . 1 1 41 41 LEU N N 41 116.800 116.800 121.913 -5.113 17717 12273 1 13 . 1 1 41 41 LEU HA H 41 4.222 4.222 3.982 0.240 17717 12274 1 13 . 1 1 41 41 LEU CA C 41 55.400 55.400 58.236 -2.836 17717 12275 1 13 . 1 1 41 41 LEU CB C 41 41.754 41.754 42.020 -0.266 17717 12276 1 13 . 1 1 41 41 LEU H H 41 8.010 8.010 7.993 0.017 17717 12277 1 13 . 1 1 42 42 ASN N N 42 115.840 115.840 117.470 -1.630 17717 12278 1 13 . 1 1 42 42 ASN HA H 42 4.485 4.485 4.439 0.046 17717 12279 1 13 . 1 1 42 42 ASN CA C 42 53.500 53.500 56.293 -2.793 17717 12280 1 13 . 1 1 42 42 ASN CB C 42 37.000 37.000 38.662 -1.662 17717 12281 1 13 . 1 1 42 42 ASN H H 42 7.840 7.840 7.741 0.099 17717 12282 1 13 . 1 1 43 43 LEU N N 43 118.490 118.490 120.484 -1.994 17717 12283 1 13 . 1 1 43 43 LEU HA H 43 4.480 4.480 4.376 0.104 17717 12284 1 13 . 1 1 43 43 LEU CA C 43 55.502 55.502 57.759 -2.257 17717 12285 1 13 . 1 1 43 43 LEU CB C 43 41.200 41.200 41.408 -0.208 17717 12286 1 13 . 1 1 43 43 LEU H H 43 9.670 9.670 8.151 1.519 17717 12287 1 13 . 1 1 44 44 ASN N N 44 119.553 119.553 116.999 2.554 17717 12288 1 13 . 1 1 44 44 ASN HA H 44 4.520 4.520 4.731 -0.211 17717 12289 1 13 . 1 1 44 44 ASN CA C 44 52.770 52.770 56.093 -3.323 17717 12290 1 13 . 1 1 44 44 ASN CB C 44 36.200 36.200 38.453 -2.253 17717 12291 1 13 . 1 1 44 44 ASN H H 44 8.950 8.950 8.123 0.827 17717 12292 1 13 . 1 1 45 45 LEU N N 45 119.553 119.553 117.626 1.927 17717 12293 1 13 . 1 1 45 45 LEU HA H 45 4.048 4.048 4.302 -0.254 17717 12294 1 13 . 1 1 45 45 LEU CA C 45 55.569 55.569 57.683 -2.114 17717 12295 1 13 . 1 1 45 45 LEU CB C 45 41.250 41.250 41.731 -0.481 17717 12296 1 13 . 1 1 45 45 LEU H H 45 8.970 8.970 7.682 1.288 17717 12297 1 13 . 1 1 46 46 LEU N N 46 116.900 116.900 119.302 -2.402 17717 12298 1 13 . 1 1 46 46 LEU HA H 46 4.351 4.351 4.285 0.066 17717 12299 1 13 . 1 1 46 46 LEU CA C 46 54.684 54.684 57.584 -2.900 17717 12300 1 13 . 1 1 46 46 LEU CB C 46 39.800 39.800 42.639 -2.839 17717 12301 1 13 . 1 1 46 46 LEU H H 46 8.450 8.450 7.261 1.189 17717 12302 1 13 . 1 1 47 47 GLU N N 47 122.741 122.741 119.187 3.554 17717 12303 1 13 . 1 1 47 47 GLU HA H 47 4.018 4.018 3.895 0.123 17717 12304 1 13 . 1 1 47 47 GLU CA C 47 58.280 58.280 59.538 -1.258 17717 12305 1 13 . 1 1 47 47 GLU CB C 47 28.800 28.800 29.020 -0.220 17717 12306 1 13 . 1 1 47 47 GLU H H 47 7.490 7.490 8.429 -0.939 17717 12307 1 13 . 1 1 48 48 ASN N N 48 117.200 117.200 118.518 -1.318 17717 12308 1 13 . 1 1 48 48 ASN HA H 48 4.300 4.300 4.689 -0.389 17717 12309 1 13 . 1 1 48 48 ASN CA C 48 53.550 53.550 55.666 -2.116 17717 12310 1 13 . 1 1 48 48 ASN CB C 48 38.490 38.490 38.420 0.070 17717 12311 1 13 . 1 1 48 48 ASN H H 48 8.450 8.450 8.316 0.134 17717 12312 1 13 . 1 1 49 49 TRP N N 49 119.320 119.320 120.511 -1.191 17717 12313 1 13 . 1 1 49 49 TRP HA H 49 4.300 4.300 4.416 -0.116 17717 12314 1 13 . 1 1 49 49 TRP CA C 49 56.200 56.200 59.700 -3.500 17717 12315 1 13 . 1 1 49 49 TRP CB C 49 27.800 27.800 28.784 -0.984 17717 12316 1 13 . 1 1 49 49 TRP H H 49 8.050 8.050 7.564 0.486 17717 12317 1 13 . 1 1 50 50 ASP N N 50 124.860 124.860 118.808 6.052 17717 12318 1 13 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.428 0.262 17717 12319 1 13 . 1 1 50 50 ASP CA C 50 54.180 54.180 55.974 -1.794 17717 12320 1 13 . 1 1 50 50 ASP CB C 50 40.318 40.318 42.843 -2.525 17717 12321 1 13 . 1 1 50 50 ASP H H 50 8.470 8.470 7.810 0.660 17717 12322 1 13 . 1 1 51 51 THR N N 51 114.240 114.240 112.563 1.677 17717 12323 1 13 . 1 1 51 51 THR HA H 51 4.250 4.250 4.286 -0.036 17717 12324 1 13 . 1 1 51 51 THR CA C 51 61.800 61.800 62.755 -0.955 17717 12325 1 13 . 1 1 51 51 THR CB C 51 69.000 69.000 68.451 0.549 17717 12326 1 13 . 1 1 51 51 THR H H 51 7.920 7.920 8.095 -0.175 17717 12327 1 13 . 1 1 52 52 LEU N N 52 124.335 124.335 120.279 4.056 17717 12328 1 13 . 1 1 52 52 LEU HA H 52 4.261 4.261 5.044 -0.783 17717 12329 1 13 . 1 1 52 52 LEU CA C 52 54.800 54.800 53.935 0.865 17717 12330 1 13 . 1 1 52 52 LEU CB C 52 41.200 41.200 45.140 -3.940 17717 12331 1 13 . 1 1 52 52 LEU H H 52 8.000 8.000 7.691 0.309 17717 12332 1 13 . 1 1 53 53 GLY N N 53 109.991 109.991 107.225 2.766 17717 12333 1 13 . 1 1 53 53 GLY CA C 53 44.700 44.700 45.324 -0.624 17717 12334 1 13 . 1 1 53 53 GLY H H 53 8.450 8.450 8.359 0.091 17717 12335 1 13 . 1 1 54 54 SER N N 54 113.710 113.710 117.338 -3.628 17717 12336 1 13 . 1 1 54 54 SER HA H 54 4.480 4.480 4.185 0.295 17717 12337 1 13 . 1 1 54 54 SER CA C 54 57.300 57.300 59.225 -1.925 17717 12338 1 13 . 1 1 54 54 SER CB C 54 63.100 63.100 63.365 -0.265 17717 12339 1 13 . 1 1 54 54 SER H H 54 8.060 8.060 8.435 -0.375 17717 12340 1 13 . 1 1 55 55 THR N N 55 116.897 116.897 114.672 2.225 17717 12341 1 13 . 1 1 55 55 THR HA H 55 4.044 4.044 4.628 -0.584 17717 12342 1 13 . 1 1 55 55 THR CA C 55 61.700 61.700 60.530 1.170 17717 12343 1 13 . 1 1 55 55 THR CB C 55 69.800 69.800 71.022 -1.222 17717 12344 1 13 . 1 1 55 55 THR H H 55 8.210 8.210 7.976 0.234 17717 12345 1 13 . 1 1 56 56 VAL N N 56 123.300 123.300 115.387 7.913 17717 12346 1 13 . 1 1 56 56 VAL HA H 56 3.793 3.793 4.557 -0.764 17717 12347 1 13 . 1 1 56 56 VAL CA C 56 66.384 66.384 60.992 5.391 17717 12348 1 13 . 1 1 56 56 VAL CB C 56 30.268 30.268 31.884 -1.616 17717 12349 1 13 . 1 1 56 56 VAL H H 56 8.280 8.280 8.221 0.059 17717 12350 1 13 . 1 1 57 57 SER N N 57 117.429 117.429 116.378 1.051 17717 12351 1 13 . 1 1 57 57 SER HA H 57 4.136 4.136 4.337 -0.201 17717 12352 1 13 . 1 1 57 57 SER CA C 57 61.100 61.100 60.956 0.144 17717 12353 1 13 . 1 1 57 57 SER CB C 57 62.800 62.800 63.695 -0.895 17717 12354 1 13 . 1 1 57 57 SER H H 57 7.850 7.850 8.528 -0.678 17717 12355 1 13 . 1 1 58 58 GLN N N 58 128.580 128.580 114.819 13.761 17717 12356 1 13 . 1 1 58 58 GLN HA H 58 4.260 4.260 4.357 -0.097 17717 12357 1 13 . 1 1 58 58 GLN CA C 58 56.642 56.642 57.373 -0.731 17717 12358 1 13 . 1 1 58 58 GLN CB C 58 29.023 29.023 29.286 -0.263 17717 12359 1 13 . 1 1 58 58 GLN H H 58 7.990 7.990 8.393 -0.403 17717 12360 1 13 . 1 1 59 59 LEU N N 59 122.210 122.210 120.355 1.855 17717 12361 1 13 . 1 1 59 59 LEU HA H 59 4.310 4.310 3.977 0.333 17717 12362 1 13 . 1 1 59 59 LEU CA C 59 55.300 55.300 58.483 -3.183 17717 12363 1 13 . 1 1 59 59 LEU CB C 59 41.160 41.160 41.107 0.053 17717 12364 1 13 . 1 1 59 59 LEU H H 59 8.050 8.050 8.303 -0.253 17717 12365 1 13 . 1 1 60 60 GLN N N 60 120.085 120.085 118.376 1.709 17717 12366 1 13 . 1 1 60 60 GLN HA H 60 4.222 4.222 4.082 0.140 17717 12367 1 13 . 1 1 60 60 GLN CA C 60 55.960 55.960 59.371 -3.411 17717 12368 1 13 . 1 1 60 60 GLN CB C 60 27.900 27.900 28.318 -0.418 17717 12369 1 13 . 1 1 60 60 GLN H H 60 8.210 8.210 8.584 -0.374 17717 12370 1 13 . 1 1 61 61 GLU N N 61 120.920 120.920 118.418 2.502 17717 12371 1 13 . 1 1 61 61 GLU HA H 61 4.216 4.216 3.986 0.230 17717 12372 1 13 . 1 1 61 61 GLU CA C 61 56.900 56.900 59.400 -2.500 17717 12373 1 13 . 1 1 61 61 GLU CB C 61 28.500 28.500 29.235 -0.735 17717 12374 1 13 . 1 1 61 61 GLU H H 61 8.590 8.590 8.666 -0.076 17717 12375 1 13 . 1 1 62 62 ARG N N 62 118.833 118.833 117.799 1.034 17717 12376 1 13 . 1 1 62 62 ARG HA H 62 4.161 4.161 4.213 -0.052 17717 12377 1 13 . 1 1 62 62 ARG CA C 62 58.030 58.030 57.178 0.852 17717 12378 1 13 . 1 1 62 62 ARG CB C 62 29.400 29.400 30.084 -0.684 17717 12379 1 13 . 1 1 62 62 ARG H H 62 7.680 7.680 8.266 -0.586 17717 12380 1 13 . 1 1 63 63 LEU N N 63 118.790 118.790 120.760 -1.970 17717 12381 1 13 . 1 1 63 63 LEU HA H 63 4.100 4.100 4.060 0.040 17717 12382 1 13 . 1 1 63 63 LEU CA C 63 56.360 56.360 57.519 -1.159 17717 12383 1 13 . 1 1 63 63 LEU CB C 63 41.130 41.130 41.323 -0.193 17717 12384 1 13 . 1 1 63 63 LEU H H 63 8.320 8.320 7.838 0.482 17717 12385 1 13 . 1 1 64 64 GLY N N 64 104.679 104.679 108.134 -3.455 17717 12386 1 13 . 1 1 64 64 GLY CA C 64 44.145 44.145 48.065 -3.920 17717 12387 1 13 . 1 1 64 64 GLY H H 64 7.220 7.220 8.296 -1.076 17717 12388 1 13 . 1 1 65 65 PRO CA C 65 62.817 62.817 64.794 -1.977 17717 12389 1 13 . 1 1 65 65 PRO CB C 65 31.290 31.290 31.382 -0.092 17717 12390 1 13 . 1 1 66 66 LEU N N 66 124.866 124.866 120.951 3.915 17717 12391 1 13 . 1 1 66 66 LEU HA H 66 4.609 4.609 4.177 0.432 17717 12392 1 13 . 1 1 66 66 LEU CA C 66 52.900 52.900 58.398 -5.498 17717 12393 1 13 . 1 1 66 66 LEU CB C 66 43.200 43.200 40.947 2.253 17717 12394 1 13 . 1 1 66 66 LEU H H 66 8.550 8.550 7.865 0.685 17717 12395 1 13 . 1 1 67 67 THR N N 67 112.116 112.116 113.148 -1.032 17717 12396 1 13 . 1 1 67 67 THR HA H 67 4.824 4.824 4.350 0.474 17717 12397 1 13 . 1 1 67 67 THR CA C 67 59.240 59.240 66.040 -6.800 17717 12398 1 13 . 1 1 67 67 THR CB C 67 71.550 71.550 68.735 2.815 17717 12399 1 13 . 1 1 67 67 THR H H 67 7.650 7.650 7.874 -0.224 17717 12400 1 13 . 1 1 68 68 ARG N N 68 120.085 120.085 120.033 0.052 17717 12401 1 13 . 1 1 68 68 ARG HA H 68 4.230 4.230 3.963 0.267 17717 12402 1 13 . 1 1 68 68 ARG CA C 68 58.600 58.600 59.346 -0.746 17717 12403 1 13 . 1 1 68 68 ARG CB C 68 28.900 28.900 30.026 -1.127 17717 12404 1 13 . 1 1 68 68 ARG H H 68 8.950 8.950 7.503 1.447 17717 12405 1 13 . 1 1 69 69 ASP N N 69 116.366 116.366 120.007 -3.641 17717 12406 1 13 . 1 1 69 69 ASP HA H 69 4.249 4.249 4.347 -0.098 17717 12407 1 13 . 1 1 69 69 ASP CA C 69 56.100 56.100 58.438 -2.338 17717 12408 1 13 . 1 1 69 69 ASP CB C 69 39.550 39.550 40.659 -1.109 17717 12409 1 13 . 1 1 69 69 ASP H H 69 8.100 8.100 7.787 0.313 17717 12410 1 13 . 1 1 70 70 PHE N N 70 119.553 119.553 118.788 0.765 17717 12411 1 13 . 1 1 70 70 PHE HA H 70 4.090 4.090 3.974 0.116 17717 12412 1 13 . 1 1 70 70 PHE CA C 70 60.700 60.700 59.339 1.361 17717 12413 1 13 . 1 1 70 70 PHE CB C 70 38.100 38.100 37.711 0.390 17717 12414 1 13 . 1 1 70 70 PHE H H 70 7.420 7.420 7.157 0.263 17717 12415 1 13 . 1 1 71 71 TRP N N 71 120.085 120.085 122.442 -2.357 17717 12416 1 13 . 1 1 71 71 TRP HA H 71 4.044 4.044 3.286 0.758 17717 12417 1 13 . 1 1 71 71 TRP CA C 71 58.100 58.100 61.766 -3.666 17717 12418 1 13 . 1 1 71 71 TRP CB C 71 28.100 28.100 28.779 -0.679 17717 12419 1 13 . 1 1 71 71 TRP H H 71 6.950 6.950 7.099 -0.149 17717 12420 1 13 . 1 1 72 72 ASP N N 72 121.450 121.450 117.642 3.808 17717 12421 1 13 . 1 1 72 72 ASP HA H 72 4.310 4.310 3.381 0.929 17717 12422 1 13 . 1 1 72 72 ASP CA C 72 55.350 55.350 56.898 -1.548 17717 12423 1 13 . 1 1 72 72 ASP CB C 72 40.000 40.000 40.480 -0.480 17717 12424 1 13 . 1 1 72 72 ASP H H 72 8.350 8.350 7.798 0.552 17717 12425 1 13 . 1 1 73 73 ASN N N 73 117.200 117.200 118.350 -1.150 17717 12426 1 13 . 1 1 73 73 ASN HA H 73 4.220 4.220 4.378 -0.158 17717 12427 1 13 . 1 1 73 73 ASN CA C 73 54.500 54.500 56.454 -1.954 17717 12428 1 13 . 1 1 73 73 ASN CB C 73 40.000 40.000 38.889 1.111 17717 12429 1 13 . 1 1 73 73 ASN H H 73 7.700 7.700 7.706 -0.006 17717 12430 1 13 . 1 1 74 74 LEU N N 74 123.600 123.600 120.321 3.279 17717 12431 1 13 . 1 1 74 74 LEU HA H 74 4.350 4.350 4.376 -0.026 17717 12432 1 13 . 1 1 74 74 LEU CA C 74 54.700 54.700 57.858 -3.158 17717 12433 1 13 . 1 1 74 74 LEU CB C 74 41.400 41.400 42.262 -0.862 17717 12434 1 13 . 1 1 74 74 LEU H H 74 8.330 8.330 8.439 -0.109 17717 12435 1 13 . 1 1 75 75 GLU N N 75 121.400 121.400 120.503 0.897 17717 12436 1 13 . 1 1 75 75 GLU HA H 75 4.000 4.000 3.728 0.272 17717 12437 1 13 . 1 1 75 75 GLU CA C 75 58.200 58.200 59.500 -1.300 17717 12438 1 13 . 1 1 75 75 GLU CB C 75 28.400 28.400 29.050 -0.650 17717 12439 1 13 . 1 1 75 75 GLU H H 75 8.600 8.600 8.321 0.279 17717 12440 1 13 . 1 1 76 76 LYS N N 76 118.000 118.000 118.977 -0.977 17717 12441 1 13 . 1 1 76 76 LYS HA H 76 4.117 4.117 4.121 -0.004 17717 12442 1 13 . 1 1 76 76 LYS CA C 76 58.400 58.400 58.951 -0.551 17717 12443 1 13 . 1 1 76 76 LYS CB C 76 32.480 32.480 32.454 0.026 17717 12444 1 13 . 1 1 76 76 LYS H H 76 7.690 7.690 7.341 0.349 17717 12445 1 13 . 1 1 77 77 GLU N N 77 115.835 115.835 119.065 -3.230 17717 12446 1 13 . 1 1 77 77 GLU HA H 77 4.310 4.310 3.993 0.317 17717 12447 1 13 . 1 1 77 77 GLU CA C 77 54.785 54.785 60.170 -5.385 17717 12448 1 13 . 1 1 77 77 GLU CB C 77 28.355 28.355 29.442 -1.087 17717 12449 1 13 . 1 1 77 77 GLU H H 77 8.290 8.290 7.780 0.510 17717 12450 1 13 . 1 1 78 78 THR N N 78 120.300 120.300 112.428 7.872 17717 12451 1 13 . 1 1 78 78 THR HA H 78 4.410 4.410 3.910 0.500 17717 12452 1 13 . 1 1 78 78 THR CA C 78 68.100 68.100 66.448 1.652 17717 12453 1 13 . 1 1 78 78 THR CB C 78 69.451 69.451 68.674 0.777 17717 12454 1 13 . 1 1 78 78 THR H H 78 7.490 7.490 8.301 -0.811 17717 12455 1 13 . 1 1 79 79 ASP N N 79 120.085 120.085 121.853 -1.768 17717 12456 1 13 . 1 1 79 79 ASP HA H 79 4.480 4.480 4.371 0.109 17717 12457 1 13 . 1 1 79 79 ASP CA C 79 57.426 57.426 57.020 0.406 17717 12458 1 13 . 1 1 79 79 ASP CB C 79 39.240 39.240 40.666 -1.426 17717 12459 1 13 . 1 1 79 79 ASP H H 79 8.880 8.880 7.762 1.118 17717 12460 1 13 . 1 1 80 80 TRP N N 80 123.803 123.803 122.060 1.743 17717 12461 1 13 . 1 1 80 80 TRP HA H 80 4.280 4.280 4.362 -0.082 17717 12462 1 13 . 1 1 80 80 TRP CA C 80 60.660 60.660 61.614 -0.954 17717 12463 1 13 . 1 1 80 80 TRP CB C 80 27.000 27.000 30.425 -3.425 17717 12464 1 13 . 1 1 80 80 TRP H H 80 7.760 7.760 7.933 -0.173 17717 12465 1 13 . 1 1 81 81 VAL N N 81 118.790 118.790 117.419 1.371 17717 12466 1 13 . 1 1 81 81 VAL HA H 81 4.280 4.280 3.901 0.379 17717 12467 1 13 . 1 1 81 81 VAL CA C 81 61.200 61.200 66.403 -5.202 17717 12468 1 13 . 1 1 81 81 VAL CB C 81 29.900 29.900 31.647 -1.747 17717 12469 1 13 . 1 1 81 81 VAL H H 81 8.160 8.160 8.946 -0.786 17717 12470 1 13 . 1 1 82 82 ARG N N 82 119.190 119.190 120.039 -0.849 17717 12471 1 13 . 1 1 82 82 ARG HA H 82 4.480 4.480 3.960 0.520 17717 12472 1 13 . 1 1 82 82 ARG CA C 82 58.400 58.400 59.491 -1.091 17717 12473 1 13 . 1 1 82 82 ARG CB C 82 29.800 29.800 30.127 -0.327 17717 12474 1 13 . 1 1 82 82 ARG H H 82 7.100 7.100 8.425 -1.325 17717 12475 1 13 . 1 1 83 83 GLN N N 83 117.960 117.960 118.190 -0.230 17717 12476 1 13 . 1 1 83 83 GLN HA H 83 4.222 4.222 3.964 0.258 17717 12477 1 13 . 1 1 83 83 GLN CA C 83 55.600 55.600 58.442 -2.842 17717 12478 1 13 . 1 1 83 83 GLN CB C 83 28.550 28.550 28.236 0.314 17717 12479 1 13 . 1 1 83 83 GLN H H 83 8.050 8.050 7.721 0.329 17717 12480 1 13 . 1 1 84 84 GLU N N 84 119.022 119.022 118.753 0.269 17717 12481 1 13 . 1 1 84 84 GLU HA H 84 4.100 4.100 3.979 0.121 17717 12482 1 13 . 1 1 84 84 GLU CA C 84 57.300 57.300 58.200 -0.900 17717 12483 1 13 . 1 1 84 84 GLU CB C 84 28.600 28.600 29.081 -0.480 17717 12484 1 13 . 1 1 84 84 GLU H H 84 7.920 7.920 8.356 -0.436 17717 12485 1 13 . 1 1 85 85 MET N N 85 117.565 117.565 120.704 -3.139 17717 12486 1 13 . 1 1 85 85 MET HA H 85 4.265 4.265 3.965 0.300 17717 12487 1 13 . 1 1 85 85 MET CA C 85 55.020 55.020 59.167 -4.147 17717 12488 1 13 . 1 1 85 85 MET CB C 85 33.000 33.000 32.168 0.832 17717 12489 1 13 . 1 1 85 85 MET H H 85 8.230 8.230 7.825 0.405 17717 12490 1 13 . 1 1 86 86 ASN N N 86 119.022 119.022 116.498 2.524 17717 12491 1 13 . 1 1 86 86 ASN HA H 86 4.570 4.570 4.485 0.085 17717 12492 1 13 . 1 1 86 86 ASN CA C 86 56.000 56.000 55.942 0.058 17717 12493 1 13 . 1 1 86 86 ASN CB C 86 37.700 37.700 38.591 -0.891 17717 12494 1 13 . 1 1 86 86 ASN H H 86 8.600 8.600 7.705 0.895 17717 12495 1 13 . 1 1 87 87 LYS N N 87 120.273 120.273 120.531 -0.258 17717 12496 1 13 . 1 1 87 87 LYS HA H 87 4.100 4.100 3.902 0.198 17717 12497 1 13 . 1 1 87 87 LYS CA C 87 59.000 59.000 59.876 -0.876 17717 12498 1 13 . 1 1 87 87 LYS CB C 87 30.900 30.900 32.145 -1.245 17717 12499 1 13 . 1 1 87 87 LYS H H 87 7.220 7.220 7.555 -0.335 17717 12500 1 13 . 1 1 88 88 ASP N N 88 121.147 121.147 118.971 2.176 17717 12501 1 13 . 1 1 88 88 ASP HA H 88 4.480 4.480 4.417 0.063 17717 12502 1 13 . 1 1 88 88 ASP CA C 88 56.840 56.840 57.063 -0.223 17717 12503 1 13 . 1 1 88 88 ASP CB C 88 39.450 39.450 40.562 -1.112 17717 12504 1 13 . 1 1 88 88 ASP H H 88 7.390 7.390 8.049 -0.659 17717 12505 1 13 . 1 1 89 89 LEU N N 89 122.741 122.741 119.657 3.084 17717 12506 1 13 . 1 1 89 89 LEU HA H 89 4.470 4.470 3.939 0.531 17717 12507 1 13 . 1 1 89 89 LEU CA C 89 57.000 57.000 58.555 -1.555 17717 12508 1 13 . 1 1 89 89 LEU CB C 89 41.000 41.000 42.143 -1.143 17717 12509 1 13 . 1 1 89 89 LEU H H 89 8.910 8.910 7.484 1.426 17717 12510 1 13 . 1 1 90 90 GLU N N 90 119.553 119.553 117.682 1.871 17717 12511 1 13 . 1 1 90 90 GLU HA H 90 4.050 4.050 4.136 -0.086 17717 12512 1 13 . 1 1 90 90 GLU CA C 90 59.100 59.100 58.484 0.615 17717 12513 1 13 . 1 1 90 90 GLU CB C 90 28.556 28.556 29.616 -1.060 17717 12514 1 13 . 1 1 90 90 GLU H H 90 8.260 8.260 7.851 0.409 17717 12515 1 13 . 1 1 91 91 GLU N N 91 119.190 119.190 120.127 -0.937 17717 12516 1 13 . 1 1 91 91 GLU HA H 91 4.136 4.136 4.155 -0.019 17717 12517 1 13 . 1 1 91 91 GLU CA C 91 58.600 58.600 59.248 -0.648 17717 12518 1 13 . 1 1 91 91 GLU CB C 91 28.600 28.600 29.933 -1.333 17717 12519 1 13 . 1 1 91 91 GLU H H 91 7.470 7.470 8.101 -0.631 17717 12520 1 13 . 1 1 92 92 VAL N N 92 122.230 122.230 115.676 6.554 17717 12521 1 13 . 1 1 92 92 VAL HA H 92 3.837 3.837 3.956 -0.119 17717 12522 1 13 . 1 1 92 92 VAL CA C 92 65.900 65.900 66.251 -0.351 17717 12523 1 13 . 1 1 92 92 VAL CB C 92 29.200 29.200 32.094 -2.894 17717 12524 1 13 . 1 1 92 92 VAL H H 92 8.420 8.420 8.278 0.142 17717 12525 1 13 . 1 1 93 93 LYS N N 93 121.300 121.300 118.281 3.019 17717 12526 1 13 . 1 1 93 93 LYS HA H 93 3.836 3.836 4.254 -0.418 17717 12527 1 13 . 1 1 93 93 LYS CA C 93 59.900 59.900 58.635 1.266 17717 12528 1 13 . 1 1 93 93 LYS CB C 93 31.277 31.277 31.991 -0.714 17717 12529 1 13 . 1 1 93 93 LYS H H 93 9.000 9.000 7.638 1.362 17717 12530 1 13 . 1 1 94 94 GLN N N 94 116.900 116.900 117.342 -0.442 17717 12531 1 13 . 1 1 94 94 GLN HA H 94 4.094 4.094 4.311 -0.217 17717 12532 1 13 . 1 1 94 94 GLN CA C 94 57.731 57.731 57.931 -0.200 17717 12533 1 13 . 1 1 94 94 GLN CB C 94 27.700 27.700 28.359 -0.659 17717 12534 1 13 . 1 1 94 94 GLN H H 94 7.320 7.320 7.747 -0.427 17717 12535 1 13 . 1 1 95 95 LYS N N 95 119.190 119.190 119.541 -0.351 17717 12536 1 13 . 1 1 95 95 LYS HA H 95 4.137 4.137 4.180 -0.043 17717 12537 1 13 . 1 1 95 95 LYS CA C 95 57.700 57.700 58.506 -0.806 17717 12538 1 13 . 1 1 95 95 LYS CB C 95 31.800 31.800 33.113 -1.313 17717 12539 1 13 . 1 1 95 95 LYS H H 95 7.590 7.590 7.679 -0.089 17717 12540 1 13 . 1 1 96 96 VAL N N 96 111.000 111.000 116.793 -5.793 17717 12541 1 13 . 1 1 96 96 VAL HA H 96 4.138 4.138 3.899 0.239 17717 12542 1 13 . 1 1 96 96 VAL CA C 96 61.600 61.600 65.394 -3.794 17717 12543 1 13 . 1 1 96 96 VAL CB C 96 31.500 31.500 31.712 -0.212 17717 12544 1 13 . 1 1 96 96 VAL H H 96 7.960 7.960 7.487 0.473 17717 12545 1 13 . 1 1 97 97 GLN N N 97 122.210 122.210 119.383 2.827 17717 12546 1 13 . 1 1 97 97 GLN HA H 97 4.030 4.030 3.890 0.140 17717 12547 1 13 . 1 1 97 97 GLN CA C 97 59.226 59.226 59.784 -0.558 17717 12548 1 13 . 1 1 97 97 GLN CB C 97 24.578 24.578 26.880 -2.302 17717 12549 1 13 . 1 1 97 97 GLN H H 97 7.380 7.380 8.220 -0.840 17717 12550 1 13 . 1 1 98 98 PRO CA C 98 65.400 65.400 63.229 2.171 17717 12551 1 13 . 1 1 98 98 PRO CB C 98 30.336 30.336 31.836 -1.500 17717 12552 1 13 . 1 1 99 99 TYR N N 99 116.900 116.900 114.187 2.713 17717 12553 1 13 . 1 1 99 99 TYR HA H 99 4.480 4.480 4.217 0.263 17717 12554 1 13 . 1 1 99 99 TYR CA C 99 58.446 58.446 58.209 0.237 17717 12555 1 13 . 1 1 99 99 TYR CB C 99 36.344 36.344 34.952 1.392 17717 12556 1 13 . 1 1 99 99 TYR H H 99 7.100 7.100 7.222 -0.122 17717 12557 1 13 . 1 1 100 100 LEU N N 100 123.270 123.270 121.610 1.660 17717 12558 1 13 . 1 1 100 100 LEU HA H 100 3.964 3.964 4.561 -0.597 17717 12559 1 13 . 1 1 100 100 LEU CA C 100 57.300 57.300 52.982 4.318 17717 12560 1 13 . 1 1 100 100 LEU CB C 100 40.950 40.950 44.233 -3.283 17717 12561 1 13 . 1 1 100 100 LEU H H 100 7.500 7.500 7.442 0.058 17717 12562 1 13 . 1 1 101 101 ASP N N 101 119.500 119.500 119.770 -0.270 17717 12563 1 13 . 1 1 101 101 ASP HA H 101 3.810 3.810 4.811 -1.002 17717 12564 1 13 . 1 1 101 101 ASP CA C 101 58.200 58.200 54.188 4.012 17717 12565 1 13 . 1 1 101 101 ASP CB C 101 39.100 39.100 40.096 -0.996 17717 12566 1 13 . 1 1 101 101 ASP H H 101 8.450 8.450 8.528 -0.078 17717 12567 1 13 . 1 1 102 102 GLU N N 102 121.221 121.221 120.626 0.595 17717 12568 1 13 . 1 1 102 102 GLU HA H 102 4.222 4.222 3.975 0.247 17717 12569 1 13 . 1 1 102 102 GLU CA C 102 59.200 59.200 58.905 0.295 17717 12570 1 13 . 1 1 102 102 GLU CB C 102 31.100 31.100 28.561 2.539 17717 12571 1 13 . 1 1 102 102 GLU H H 102 8.190 8.190 8.449 -0.259 17717 12572 1 13 . 1 1 103 103 PHE N N 103 124.065 124.065 120.102 3.963 17717 12573 1 13 . 1 1 103 103 PHE HA H 103 4.520 4.520 4.088 0.432 17717 12574 1 13 . 1 1 103 103 PHE CA C 103 57.183 57.183 61.261 -4.078 17717 12575 1 13 . 1 1 103 103 PHE CB C 103 38.608 38.608 37.353 1.255 17717 12576 1 13 . 1 1 103 103 PHE H H 103 8.170 8.170 7.272 0.898 17717 12577 1 13 . 1 1 104 104 GLN N N 104 123.272 123.272 119.192 4.080 17717 12578 1 13 . 1 1 104 104 GLN HA H 104 4.222 4.222 4.004 0.218 17717 12579 1 13 . 1 1 104 104 GLN CA C 104 55.460 55.460 58.879 -3.419 17717 12580 1 13 . 1 1 104 104 GLN CB C 104 29.200 29.200 28.276 0.925 17717 12581 1 13 . 1 1 104 104 GLN H H 104 8.030 8.030 8.723 -0.693 17717 12582 1 13 . 1 1 105 105 LYS N N 105 119.600 119.600 120.111 -0.511 17717 12583 1 13 . 1 1 105 105 LYS HA H 105 4.136 4.136 4.066 0.070 17717 12584 1 13 . 1 1 105 105 LYS CA C 105 57.830 57.830 59.444 -1.615 17717 12585 1 13 . 1 1 105 105 LYS CB C 105 32.220 32.220 32.428 -0.208 17717 12586 1 13 . 1 1 105 105 LYS H H 105 7.800 7.800 7.860 -0.060 17717 12587 1 13 . 1 1 106 106 LYS N N 106 117.960 117.960 121.175 -3.215 17717 12588 1 13 . 1 1 106 106 LYS HA H 106 4.093 4.093 4.031 0.062 17717 12589 1 13 . 1 1 106 106 LYS CA C 106 57.860 57.860 59.284 -1.424 17717 12590 1 13 . 1 1 106 106 LYS CB C 106 32.080 32.080 31.861 0.219 17717 12591 1 13 . 1 1 106 106 LYS H H 106 7.740 7.740 8.043 -0.303 17717 12592 1 13 . 1 1 107 107 TRP N N 107 119.320 119.320 119.233 0.087 17717 12593 1 13 . 1 1 107 107 TRP HA H 107 4.310 4.310 4.607 -0.297 17717 12594 1 13 . 1 1 107 107 TRP CA C 107 54.900 54.900 59.525 -4.625 17717 12595 1 13 . 1 1 107 107 TRP CB C 107 28.400 28.400 29.253 -0.853 17717 12596 1 13 . 1 1 107 107 TRP H H 107 8.390 8.390 7.773 0.617 17717 12597 1 13 . 1 1 108 108 LYS N N 108 120.390 120.390 118.719 1.671 17717 12598 1 13 . 1 1 108 108 LYS HA H 108 4.350 4.350 3.795 0.555 17717 12599 1 13 . 1 1 108 108 LYS CA C 108 58.170 58.170 57.698 0.472 17717 12600 1 13 . 1 1 108 108 LYS CB C 108 30.250 30.250 32.081 -1.831 17717 12601 1 13 . 1 1 108 108 LYS H H 108 7.420 7.420 8.087 -0.667 17717 12602 1 13 . 1 1 109 109 GLU N N 109 120.220 120.220 120.290 -0.070 17717 12603 1 13 . 1 1 109 109 GLU HA H 109 3.922 3.922 3.993 -0.071 17717 12604 1 13 . 1 1 109 109 GLU CA C 109 58.230 58.230 59.553 -1.323 17717 12605 1 13 . 1 1 109 109 GLU CB C 109 29.230 29.230 29.939 -0.709 17717 12606 1 13 . 1 1 109 109 GLU H H 109 7.800 7.800 7.613 0.187 17717 12607 1 13 . 1 1 110 110 ASP N N 110 121.678 121.678 119.648 2.030 17717 12608 1 13 . 1 1 110 110 ASP HA H 110 4.096 4.096 4.172 -0.076 17717 12609 1 13 . 1 1 110 110 ASP CA C 110 57.514 57.514 57.148 0.366 17717 12610 1 13 . 1 1 110 110 ASP CB C 110 40.005 40.005 39.678 0.327 17717 12611 1 13 . 1 1 110 110 ASP H H 110 8.220 8.220 8.299 -0.079 17717 12612 1 13 . 1 1 111 111 VAL N N 111 123.537 123.537 119.199 4.338 17717 12613 1 13 . 1 1 111 111 VAL CA C 111 66.380 66.380 65.576 0.804 17717 12614 1 13 . 1 1 111 111 VAL CB C 111 30.800 30.800 30.754 0.046 17717 12615 1 13 . 1 1 111 111 VAL H H 111 9.170 9.170 7.266 1.904 17717 12616 1 13 . 1 1 112 112 GLU N N 112 120.200 120.200 120.189 0.011 17717 12617 1 13 . 1 1 112 112 GLU HA H 112 4.179 4.179 3.967 0.212 17717 12618 1 13 . 1 1 112 112 GLU CA C 112 58.431 58.431 59.442 -1.011 17717 12619 1 13 . 1 1 112 112 GLU CB C 112 27.878 27.878 29.447 -1.569 17717 12620 1 13 . 1 1 112 112 GLU H H 112 7.540 7.540 7.253 0.287 17717 12621 1 13 . 1 1 113 113 LEU N N 113 120.815 120.815 118.459 2.356 17717 12622 1 13 . 1 1 113 113 LEU HA H 113 4.439 4.439 3.795 0.644 17717 12623 1 13 . 1 1 113 113 LEU CA C 113 53.800 53.800 57.618 -3.818 17717 12624 1 13 . 1 1 113 113 LEU CB C 113 41.060 41.060 40.687 0.374 17717 12625 1 13 . 1 1 113 113 LEU H H 113 7.900 7.900 7.530 0.370 17717 12626 1 13 . 1 1 114 114 TYR N N 114 120.920 120.920 120.206 0.714 17717 12627 1 13 . 1 1 114 114 TYR HA H 114 4.520 4.520 3.970 0.550 17717 12628 1 13 . 1 1 114 114 TYR CA C 114 56.942 56.942 61.696 -4.754 17717 12629 1 13 . 1 1 114 114 TYR CB C 114 37.834 37.834 38.544 -0.710 17717 12630 1 13 . 1 1 114 114 TYR H H 114 8.370 8.370 8.522 -0.152 17717 12631 1 13 . 1 1 115 115 ARG N N 115 118.260 118.260 117.616 0.644 17717 12632 1 13 . 1 1 115 115 ARG HA H 115 4.820 4.820 3.699 1.121 17717 12633 1 13 . 1 1 115 115 ARG CA C 115 55.700 55.700 59.739 -4.038 17717 12634 1 13 . 1 1 115 115 ARG CB C 115 30.600 30.600 29.714 0.886 17717 12635 1 13 . 1 1 115 115 ARG H H 115 7.630 7.630 7.877 -0.247 17717 12636 1 13 . 1 1 116 116 GLN N N 116 116.670 116.670 117.144 -0.474 17717 12637 1 13 . 1 1 116 116 GLN HA H 116 4.480 4.480 4.030 0.450 17717 12638 1 13 . 1 1 116 116 GLN CA C 116 57.100 57.100 58.059 -0.959 17717 12639 1 13 . 1 1 116 116 GLN CB C 116 28.060 28.060 28.222 -0.162 17717 12640 1 13 . 1 1 116 116 GLN H H 116 7.980 7.980 7.303 0.677 17717 12641 1 13 . 1 1 117 117 LYS N N 117 119.200 119.200 120.064 -0.864 17717 12642 1 13 . 1 1 117 117 LYS HA H 117 4.211 4.211 3.858 0.353 17717 12643 1 13 . 1 1 117 117 LYS CA C 117 56.700 56.700 58.391 -1.691 17717 12644 1 13 . 1 1 117 117 LYS CB C 117 32.100 32.100 31.512 0.588 17717 12645 1 13 . 1 1 117 117 LYS H H 117 7.780 7.780 7.411 0.369 17717 12646 1 13 . 1 1 118 118 ALA N N 118 122.740 122.740 119.785 2.955 17717 12647 1 13 . 1 1 118 118 ALA HA H 118 4.179 4.179 3.758 0.421 17717 12648 1 13 . 1 1 118 118 ALA CA C 118 52.100 52.100 53.133 -1.032 17717 12649 1 13 . 1 1 118 118 ALA CB C 118 18.100 18.100 18.278 -0.178 17717 12650 1 13 . 1 1 118 118 ALA H H 118 8.100 8.100 7.711 0.389 17717 12651 1 13 . 1 1 119 119 SER N N 119 115.840 115.840 114.602 1.238 17717 12652 1 13 . 1 1 119 119 SER HA H 119 4.210 4.210 4.780 -0.570 17717 12653 1 13 . 1 1 119 119 SER CA C 119 55.900 55.900 54.244 1.656 17717 12654 1 13 . 1 1 119 119 SER CB C 119 62.900 62.900 63.643 -0.743 17717 12655 1 13 . 1 1 119 119 SER H H 119 7.800 7.800 7.340 0.460 17717 12656 1 13 . 1 1 120 120 PRO CA C 120 63.074 63.074 62.882 0.192 17717 12657 1 13 . 1 1 120 120 PRO CB C 120 31.408 31.408 32.093 -0.685 17717 12658 1 13 . 1 1 121 121 GLN N N 121 120.800 120.800 127.005 -6.205 17717 12659 1 13 . 1 1 121 121 GLN HA H 121 4.350 4.350 4.008 0.342 17717 12660 1 13 . 1 1 121 121 GLN CA C 121 55.800 55.800 58.914 -3.114 17717 12661 1 13 . 1 1 121 121 GLN CB C 121 28.300 28.300 27.606 0.694 17717 12662 1 13 . 1 1 121 121 GLN H H 121 8.450 8.450 8.415 0.035 17717 12663 1 13 . 1 1 122 122 GLY N N 122 109.991 109.991 107.292 2.699 17717 12664 1 13 . 1 1 122 122 GLY CA C 122 44.500 44.500 46.469 -1.969 17717 12665 1 13 . 1 1 122 122 GLY H H 122 8.380 8.380 8.854 -0.474 17717 12666 1 13 . 1 1 123 123 ALA N N 123 124.866 124.866 124.842 0.024 17717 12667 1 13 . 1 1 123 123 ALA HA H 123 4.280 4.280 3.902 0.378 17717 12668 1 13 . 1 1 123 123 ALA CA C 123 52.440 52.440 54.896 -2.456 17717 12669 1 13 . 1 1 123 123 ALA CB C 123 18.530 18.530 18.556 -0.026 17717 12670 1 13 . 1 1 123 123 ALA H H 123 8.200 8.200 8.023 0.177 17717 12671 1 13 . 1 1 124 124 GLU N N 124 120.000 120.000 118.038 1.962 17717 12672 1 13 . 1 1 124 124 GLU HA H 124 4.265 4.265 4.088 0.177 17717 12673 1 13 . 1 1 124 124 GLU CA C 124 56.533 56.533 58.392 -1.859 17717 12674 1 13 . 1 1 124 124 GLU CB C 124 29.150 29.150 29.240 -0.090 17717 12675 1 13 . 1 1 124 124 GLU H H 124 8.510 8.510 7.645 0.865 17717 12676 1 13 . 1 1 125 125 LEU N N 125 122.740 122.740 122.761 -0.021 17717 12677 1 13 . 1 1 125 125 LEU HA H 125 4.222 4.222 4.021 0.201 17717 12678 1 13 . 1 1 125 125 LEU CA C 125 55.600 55.600 58.353 -2.753 17717 12679 1 13 . 1 1 125 125 LEU CB C 125 41.500 41.500 41.493 0.007 17717 12680 1 13 . 1 1 125 125 LEU H H 125 8.110 8.110 8.603 -0.493 17717 12681 1 13 . 1 1 126 126 GLN N N 126 120.616 120.616 116.490 4.126 17717 12682 1 13 . 1 1 126 126 GLN HA H 126 4.140 4.140 4.039 0.101 17717 12683 1 13 . 1 1 126 126 GLN CA C 126 56.600 56.600 58.404 -1.804 17717 12684 1 13 . 1 1 126 126 GLN CB C 126 28.200 28.200 28.339 -0.139 17717 12685 1 13 . 1 1 126 126 GLN H H 126 8.190 8.190 8.069 0.121 17717 12686 1 13 . 1 1 127 127 GLU N N 127 121.221 121.221 121.293 -0.072 17717 12687 1 13 . 1 1 127 127 GLU HA H 127 4.480 4.480 4.031 0.449 17717 12688 1 13 . 1 1 127 127 GLU CA C 127 57.800 57.800 59.506 -1.706 17717 12689 1 13 . 1 1 127 127 GLU CB C 127 28.000 28.000 29.421 -1.421 17717 12690 1 13 . 1 1 127 127 GLU H H 127 8.130 8.130 7.766 0.364 17717 12691 1 13 . 1 1 128 128 SER N N 128 117.960 117.960 115.885 2.075 17717 12692 1 13 . 1 1 128 128 SER HA H 128 4.140 4.140 4.277 -0.137 17717 12693 1 13 . 1 1 128 128 SER CA C 128 57.800 57.800 61.017 -3.217 17717 12694 1 13 . 1 1 128 128 SER CB C 128 63.860 63.860 62.987 0.873 17717 12695 1 13 . 1 1 128 128 SER H H 128 8.580 8.580 8.330 0.250 17717 12696 1 13 . 1 1 129 129 ALA N N 129 132.300 132.300 122.406 9.894 17717 12697 1 13 . 1 1 129 129 ALA CA C 129 53.505 53.505 54.145 -0.640 17717 12698 1 13 . 1 1 129 129 ALA CB C 129 18.600 18.600 19.018 -0.418 17717 12699 1 13 . 1 1 129 129 ALA H H 129 7.980 7.980 7.885 0.095 17717 12700 1 13 . 1 1 130 130 ARG N N 130 119.553 119.553 116.613 2.940 17717 12701 1 13 . 1 1 130 130 ARG HA H 130 4.274 4.274 4.424 -0.150 17717 12702 1 13 . 1 1 130 130 ARG CA C 130 55.300 55.300 55.749 -0.449 17717 12703 1 13 . 1 1 130 130 ARG CB C 130 31.600 31.600 32.226 -0.626 17717 12704 1 13 . 1 1 130 130 ARG H H 130 8.150 8.150 7.371 0.779 17717 12705 1 13 . 1 1 131 131 GLN N N 131 117.960 117.960 118.866 -0.906 17717 12706 1 13 . 1 1 131 131 GLN HA H 131 4.350 4.350 4.026 0.324 17717 12707 1 13 . 1 1 131 131 GLN CA C 131 56.066 56.066 56.891 -0.825 17717 12708 1 13 . 1 1 131 131 GLN CB C 131 29.000 29.000 27.641 1.359 17717 12709 1 13 . 1 1 131 131 GLN H H 131 7.880 7.880 8.365 -0.485 17717 12710 1 13 . 1 1 132 132 LYS N N 132 121.357 121.357 118.208 3.149 17717 12711 1 13 . 1 1 132 132 LYS HA H 132 4.136 4.136 4.340 -0.204 17717 12712 1 13 . 1 1 132 132 LYS CA C 132 56.800 56.800 56.901 -0.101 17717 12713 1 13 . 1 1 132 132 LYS CB C 132 31.100 31.100 32.341 -1.241 17717 12714 1 13 . 1 1 132 132 LYS H H 132 7.892 7.892 8.567 -0.675 17717 12715 1 13 . 1 1 133 133 LEU N N 133 120.620 120.620 118.458 2.162 17717 12716 1 13 . 1 1 133 133 LEU HA H 133 4.480 4.480 4.652 -0.172 17717 12717 1 13 . 1 1 133 133 LEU CA C 133 53.900 53.900 54.470 -0.570 17717 12718 1 13 . 1 1 133 133 LEU CB C 133 41.230 41.230 41.627 -0.397 17717 12719 1 13 . 1 1 133 133 LEU H H 133 8.320 8.320 7.872 0.448 17717 12720 1 13 . 1 1 134 134 GLN N N 134 121.147 121.147 118.031 3.116 17717 12721 1 13 . 1 1 134 134 GLN HA H 134 4.222 4.222 4.365 -0.143 17717 12722 1 13 . 1 1 134 134 GLN CA C 134 56.146 56.146 55.302 0.844 17717 12723 1 13 . 1 1 134 134 GLN CB C 134 31.813 31.813 28.686 3.127 17717 12724 1 13 . 1 1 134 134 GLN H H 134 7.870 7.870 7.989 -0.119 17717 12725 1 13 . 1 1 135 135 GLU N N 135 121.678 121.678 117.952 3.726 17717 12726 1 13 . 1 1 135 135 GLU HA H 135 4.136 4.136 4.026 0.110 17717 12727 1 13 . 1 1 135 135 GLU CA C 135 55.904 55.904 56.520 -0.616 17717 12728 1 13 . 1 1 135 135 GLU CB C 135 28.953 28.953 29.376 -0.423 17717 12729 1 13 . 1 1 135 135 GLU H H 135 7.892 7.892 8.010 -0.118 17717 12730 1 13 . 1 1 136 136 LEU N N 136 121.357 121.357 120.721 0.636 17717 12731 1 13 . 1 1 136 136 LEU HA H 136 4.351 4.351 3.978 0.373 17717 12732 1 13 . 1 1 136 136 LEU CA C 136 54.765 54.765 55.612 -0.847 17717 12733 1 13 . 1 1 136 136 LEU CB C 136 41.823 41.823 41.805 0.018 17717 12734 1 13 . 1 1 136 136 LEU H H 136 7.962 7.962 8.268 -0.306 17717 12735 1 13 . 1 1 137 137 GLN N N 137 124.866 124.866 122.777 2.089 17717 12736 1 13 . 1 1 137 137 GLN HA H 137 4.222 4.222 4.497 -0.275 17717 12737 1 13 . 1 1 137 137 GLN CA C 137 56.300 56.300 55.523 0.777 17717 12738 1 13 . 1 1 137 137 GLN CB C 137 28.000 28.000 30.168 -2.168 17717 12739 1 13 . 1 1 137 137 GLN H H 137 7.938 7.938 8.118 -0.180 17717 12740 1 13 . 1 1 138 138 GLY N N 138 111.054 111.054 108.402 2.652 17717 12741 1 13 . 1 1 138 138 GLY CA C 138 44.800 44.800 45.609 -0.809 17717 12742 1 13 . 1 1 138 138 GLY H H 138 8.410 8.410 8.556 -0.146 17717 12743 1 13 . 1 1 139 139 ARG N N 139 116.366 116.366 121.058 -4.692 17717 12744 1 13 . 1 1 139 139 ARG HA H 139 4.230 4.230 4.528 -0.298 17717 12745 1 13 . 1 1 139 139 ARG CA C 139 56.300 56.300 56.211 0.089 17717 12746 1 13 . 1 1 139 139 ARG CB C 139 28.700 28.700 30.800 -2.100 17717 12747 1 13 . 1 1 139 139 ARG H H 139 8.080 8.080 7.989 0.091 17717 12748 1 13 . 1 1 140 140 LEU N N 140 126.460 126.460 118.651 7.809 17717 12749 1 13 . 1 1 140 140 LEU HA H 140 4.220 4.220 4.268 -0.048 17717 12750 1 13 . 1 1 140 140 LEU CA C 140 56.500 56.500 55.730 0.770 17717 12751 1 13 . 1 1 140 140 LEU CB C 140 41.496 41.496 41.532 -0.036 17717 12752 1 13 . 1 1 140 140 LEU H H 140 7.740 7.740 8.184 -0.444 17717 12753 1 13 . 1 1 141 141 SER N N 141 119.190 119.190 116.863 2.327 17717 12754 1 13 . 1 1 141 141 SER HA H 141 4.390 4.390 4.401 -0.011 17717 12755 1 13 . 1 1 141 141 SER CA C 141 56.384 56.384 57.758 -1.374 17717 12756 1 13 . 1 1 141 141 SER CB C 141 62.996 62.996 62.731 0.265 17717 12757 1 13 . 1 1 141 141 SER H H 141 8.430 8.430 7.677 0.753 17717 12758 1 13 . 1 1 142 142 PRO CA C 142 64.840 64.840 64.597 0.243 17717 12759 1 13 . 1 1 142 142 PRO CB C 142 31.345 31.345 31.505 -0.160 17717 12760 1 13 . 1 1 143 143 VAL N N 143 116.900 116.900 114.563 2.337 17717 12761 1 13 . 1 1 143 143 VAL HA H 143 4.100 4.100 4.248 -0.148 17717 12762 1 13 . 1 1 143 143 VAL CA C 143 63.800 63.800 62.690 1.110 17717 12763 1 13 . 1 1 143 143 VAL CB C 143 31.400 31.400 30.453 0.946 17717 12764 1 13 . 1 1 143 143 VAL H H 143 7.780 7.780 7.610 0.170 17717 12765 1 13 . 1 1 144 144 ALA N N 144 125.700 125.700 122.511 3.189 17717 12766 1 13 . 1 1 144 144 ALA HA H 144 4.390 4.390 4.023 0.367 17717 12767 1 13 . 1 1 144 144 ALA CA C 144 54.200 54.200 55.334 -1.134 17717 12768 1 13 . 1 1 144 144 ALA CB C 144 18.361 18.361 18.120 0.241 17717 12769 1 13 . 1 1 144 144 ALA H H 144 7.970 7.970 7.640 0.330 17717 12770 1 13 . 1 1 145 145 GLU N N 145 120.000 120.000 118.600 1.400 17717 12771 1 13 . 1 1 145 145 GLU HA H 145 3.920 3.920 3.922 -0.002 17717 12772 1 13 . 1 1 145 145 GLU CA C 145 59.400 59.400 59.833 -0.433 17717 12773 1 13 . 1 1 145 145 GLU CB C 145 28.400 28.400 28.834 -0.434 17717 12774 1 13 . 1 1 145 145 GLU H H 145 8.600 8.600 7.919 0.681 17717 12775 1 13 . 1 1 146 146 GLU N N 146 119.022 119.022 119.228 -0.206 17717 12776 1 13 . 1 1 146 146 GLU HA H 146 4.050 4.050 4.186 -0.136 17717 12777 1 13 . 1 1 146 146 GLU CA C 146 58.422 58.422 58.909 -0.487 17717 12778 1 13 . 1 1 146 146 GLU CB C 146 28.172 28.172 28.674 -0.502 17717 12779 1 13 . 1 1 146 146 GLU H H 146 8.070 8.070 8.094 -0.024 17717 12780 1 13 . 1 1 147 147 PHE N N 147 117.023 117.023 121.270 -4.247 17717 12781 1 13 . 1 1 147 147 PHE HA H 147 4.523 4.523 4.259 0.264 17717 12782 1 13 . 1 1 147 147 PHE CA C 147 58.592 58.592 60.949 -2.357 17717 12783 1 13 . 1 1 147 147 PHE CB C 147 40.344 40.344 38.694 1.651 17717 12784 1 13 . 1 1 147 147 PHE H H 147 8.161 8.161 8.732 -0.571 17717 12785 1 13 . 1 1 148 148 ARG N N 148 120.085 120.085 119.806 0.279 17717 12786 1 13 . 1 1 148 148 ARG HA H 148 4.136 4.136 4.131 0.005 17717 12787 1 13 . 1 1 148 148 ARG CA C 148 57.700 57.700 58.987 -1.287 17717 12788 1 13 . 1 1 148 148 ARG CB C 148 30.400 30.400 30.019 0.381 17717 12789 1 13 . 1 1 148 148 ARG H H 148 8.325 8.325 8.419 -0.094 17717 12790 1 13 . 1 1 149 149 ASP N N 149 118.530 118.530 119.761 -1.231 17717 12791 1 13 . 1 1 149 149 ASP HA H 149 4.310 4.310 4.377 -0.067 17717 12792 1 13 . 1 1 149 149 ASP CA C 149 54.600 54.600 57.790 -3.190 17717 12793 1 13 . 1 1 149 149 ASP CB C 149 41.000 41.000 40.789 0.211 17717 12794 1 13 . 1 1 149 149 ASP H H 149 8.270 8.270 8.466 -0.196 17717 12795 1 13 . 1 1 150 150 ARG N N 150 126.460 126.460 119.035 7.425 17717 12796 1 13 . 1 1 150 150 ARG HA H 150 4.180 4.180 4.187 -0.007 17717 12797 1 13 . 1 1 150 150 ARG CA C 150 56.850 56.850 58.090 -1.240 17717 12798 1 13 . 1 1 150 150 ARG CB C 150 30.451 30.451 29.908 0.543 17717 12799 1 13 . 1 1 150 150 ARG H H 150 7.860 7.860 8.017 -0.157 17717 12800 1 13 . 1 1 152 152 ARG CA C 152 55.764 55.764 60.045 -4.282 17717 12801 1 13 . 1 1 152 152 ARG CB C 152 30.014 30.014 30.444 -0.430 17717 12802 1 13 . 1 1 153 153 THR N N 153 115.832 115.832 112.461 3.371 17717 12803 1 13 . 1 1 153 153 THR HA H 153 4.350 4.350 3.927 0.423 17717 12804 1 13 . 1 1 153 153 THR CA C 153 61.200 61.200 66.441 -5.241 17717 12805 1 13 . 1 1 153 153 THR CB C 153 69.400 69.400 68.538 0.862 17717 12806 1 13 . 1 1 153 153 THR H H 153 8.170 8.170 8.174 -0.004 17717 12807 1 13 . 1 1 154 154 HIS N N 154 129.120 129.120 123.330 5.790 17717 12808 1 13 . 1 1 154 154 HIS HA H 154 4.650 4.650 4.472 0.178 17717 12809 1 13 . 1 1 154 154 HIS CA C 154 56.800 56.800 58.477 -1.677 17717 12810 1 13 . 1 1 154 154 HIS CB C 154 30.400 30.400 29.648 0.753 17717 12811 1 13 . 1 1 154 154 HIS H H 154 7.950 7.950 8.215 -0.265 17717 12812 1 13 . 1 1 155 155 VAL N N 155 120.620 120.620 117.975 2.645 17717 12813 1 13 . 1 1 155 155 VAL HA H 155 4.012 4.012 3.535 0.477 17717 12814 1 13 . 1 1 155 155 VAL CA C 155 62.300 62.300 65.537 -3.237 17717 12815 1 13 . 1 1 155 155 VAL CB C 155 31.600 31.600 30.750 0.850 17717 12816 1 13 . 1 1 155 155 VAL H H 155 7.910 7.910 7.367 0.543 17717 12817 1 13 . 1 1 156 156 ASP N N 156 121.147 121.147 121.159 -0.012 17717 12818 1 13 . 1 1 156 156 ASP HA H 156 4.440 4.440 4.272 0.168 17717 12819 1 13 . 1 1 156 156 ASP CA C 156 57.384 57.384 57.971 -0.587 17717 12820 1 13 . 1 1 156 156 ASP CB C 156 40.140 40.140 40.937 -0.797 17717 12821 1 13 . 1 1 156 156 ASP H H 156 8.100 8.100 8.678 -0.579 17717 12822 1 13 . 1 1 157 157 SER N N 157 116.366 116.366 116.110 0.256 17717 12823 1 13 . 1 1 157 157 SER HA H 157 4.220 4.220 4.135 0.085 17717 12824 1 13 . 1 1 157 157 SER CA C 157 61.500 61.500 61.455 0.045 17717 12825 1 13 . 1 1 157 157 SER CB C 157 62.500 62.500 63.283 -0.784 17717 12826 1 13 . 1 1 157 157 SER H H 157 8.700 8.700 7.871 0.829 17717 12827 1 13 . 1 1 158 158 LEU N N 158 123.272 123.272 123.429 -0.157 17717 12828 1 13 . 1 1 158 158 LEU HA H 158 4.520 4.520 4.312 0.208 17717 12829 1 13 . 1 1 158 158 LEU CA C 158 57.140 57.140 58.213 -1.073 17717 12830 1 13 . 1 1 158 158 LEU CB C 158 40.900 40.900 41.831 -0.930 17717 12831 1 13 . 1 1 158 158 LEU H H 158 7.790 7.790 7.625 0.165 17717 12832 1 13 . 1 1 159 159 ARG N N 159 119.553 119.553 116.672 2.881 17717 12833 1 13 . 1 1 159 159 ARG HA H 159 4.530 4.530 4.077 0.453 17717 12834 1 13 . 1 1 159 159 ARG CA C 159 56.800 56.800 59.470 -2.670 17717 12835 1 13 . 1 1 159 159 ARG CB C 159 29.000 29.000 30.255 -1.255 17717 12836 1 13 . 1 1 159 159 ARG H H 159 8.650 8.650 8.163 0.487 17717 12837 1 13 . 1 1 160 160 THR N N 160 115.304 115.304 115.415 -0.111 17717 12838 1 13 . 1 1 160 160 THR HA H 160 3.880 3.880 4.079 -0.199 17717 12839 1 13 . 1 1 160 160 THR CA C 160 65.300 65.300 66.001 -0.701 17717 12840 1 13 . 1 1 160 160 THR CB C 160 68.900 68.900 68.427 0.473 17717 12841 1 13 . 1 1 160 160 THR H H 160 8.100 8.100 7.348 0.752 17717 12842 1 13 . 1 1 161 161 GLN N N 161 122.440 122.440 118.655 3.785 17717 12843 1 13 . 1 1 161 161 GLN HA H 161 4.220 4.220 4.365 -0.145 17717 12844 1 13 . 1 1 161 161 GLN CA C 161 56.900 56.900 58.863 -1.963 17717 12845 1 13 . 1 1 161 161 GLN CB C 161 26.160 26.160 29.147 -2.987 17717 12846 1 13 . 1 1 161 161 GLN H H 161 8.070 8.070 7.916 0.154 17717 12847 1 13 . 1 1 162 162 LEU N N 162 115.398 115.398 120.727 -5.329 17717 12848 1 13 . 1 1 162 162 LEU HA H 162 4.220 4.220 4.465 -0.245 17717 12849 1 13 . 1 1 162 162 LEU CA C 162 56.500 56.500 56.059 0.441 17717 12850 1 13 . 1 1 162 162 LEU CB C 162 41.000 41.000 40.912 0.088 17717 12851 1 13 . 1 1 162 162 LEU H H 162 7.980 7.980 7.887 0.093 17717 12852 1 13 . 1 1 163 163 ALA N N 163 122.210 122.210 123.310 -1.100 17717 12853 1 13 . 1 1 163 163 ALA HA H 163 4.260 4.260 4.063 0.197 17717 12854 1 13 . 1 1 163 163 ALA CA C 163 56.560 56.560 57.200 -0.640 17717 12855 1 13 . 1 1 163 163 ALA CB C 163 15.000 15.000 16.067 -1.067 17717 12856 1 13 . 1 1 163 163 ALA H H 163 7.460 7.460 8.335 -0.875 17717 12857 1 13 . 1 1 164 164 PRO CA C 164 62.800 62.800 65.568 -2.768 17717 12858 1 13 . 1 1 164 164 PRO CB C 164 31.500 31.500 31.435 0.065 17717 12859 1 13 . 1 1 165 165 HIS N N 165 120.080 120.080 117.248 2.832 17717 12860 1 13 . 1 1 165 165 HIS HA H 165 4.390 4.390 4.171 0.219 17717 12861 1 13 . 1 1 165 165 HIS CA C 165 56.000 56.000 60.319 -4.319 17717 12862 1 13 . 1 1 165 165 HIS CB C 165 28.400 28.400 29.610 -1.210 17717 12863 1 13 . 1 1 165 165 HIS H H 165 8.060 8.060 7.827 0.233 17717 12864 1 13 . 1 1 166 166 SER N N 166 116.366 116.366 115.289 1.077 17717 12865 1 13 . 1 1 166 166 SER HA H 166 4.300 4.300 4.194 0.106 17717 12866 1 13 . 1 1 166 166 SER CA C 166 61.200 61.200 61.659 -0.459 17717 12867 1 13 . 1 1 166 166 SER CB C 166 63.000 63.000 63.234 -0.234 17717 12868 1 13 . 1 1 166 166 SER H H 166 8.040 8.040 8.499 -0.459 17717 12869 1 13 . 1 1 167 167 GLU N N 167 121.678 121.678 120.866 0.812 17717 12870 1 13 . 1 1 167 167 GLU HA H 167 3.922 3.922 4.073 -0.151 17717 12871 1 13 . 1 1 167 167 GLU CA C 167 62.800 62.800 59.174 3.626 17717 12872 1 13 . 1 1 167 167 GLU CB C 167 31.100 31.100 29.514 1.586 17717 12873 1 13 . 1 1 167 167 GLU H H 167 7.760 7.760 8.058 -0.298 17717 12874 1 13 . 1 1 168 168 GLN N N 168 121.147 121.147 119.725 1.422 17717 12875 1 13 . 1 1 168 168 GLN HA H 168 4.320 4.320 4.113 0.207 17717 12876 1 13 . 1 1 168 168 GLN CA C 168 55.300 55.300 59.016 -3.716 17717 12877 1 13 . 1 1 168 168 GLN CB C 168 28.200 28.200 28.831 -0.631 17717 12878 1 13 . 1 1 168 168 GLN H H 168 8.450 8.450 8.388 0.062 17717 12879 1 13 . 1 1 170 170 ARG CA C 170 58.370 58.370 59.308 -0.938 17717 12880 1 13 . 1 1 170 170 ARG CB C 170 28.900 28.900 30.109 -1.209 17717 12881 1 13 . 1 1 171 171 GLU N N 171 117.960 117.960 120.136 -2.176 17717 12882 1 13 . 1 1 171 171 GLU HA H 171 4.140 4.140 4.212 -0.072 17717 12883 1 13 . 1 1 171 171 GLU CA C 171 57.300 57.300 59.249 -1.949 17717 12884 1 13 . 1 1 171 171 GLU CB C 171 29.200 29.200 29.545 -0.345 17717 12885 1 13 . 1 1 171 171 GLU H H 171 7.730 7.730 7.871 -0.141 17717 12886 1 13 . 1 1 172 172 SER N N 172 116.366 116.366 117.458 -1.092 17717 12887 1 13 . 1 1 172 172 SER HA H 172 4.270 4.270 4.180 0.090 17717 12888 1 13 . 1 1 172 172 SER CA C 172 58.000 58.000 62.385 -4.385 17717 12889 1 13 . 1 1 172 172 SER CB C 172 63.000 63.000 63.135 -0.135 17717 12890 1 13 . 1 1 172 172 SER H H 172 8.320 8.320 8.682 -0.362 17717 12891 1 13 . 1 1 173 173 LEU N N 173 124.866 124.866 121.783 3.083 17717 12892 1 13 . 1 1 173 173 LEU HA H 173 4.352 4.352 4.008 0.344 17717 12893 1 13 . 1 1 173 173 LEU CA C 173 54.540 54.540 57.976 -3.436 17717 12894 1 13 . 1 1 173 173 LEU CB C 173 41.400 41.400 41.514 -0.114 17717 12895 1 13 . 1 1 173 173 LEU H H 173 8.260 8.260 7.610 0.650 17717 12896 1 13 . 1 1 174 174 ALA N N 174 126.460 126.460 120.981 5.479 17717 12897 1 13 . 1 1 174 174 ALA HA H 174 4.270 4.270 3.758 0.512 17717 12898 1 13 . 1 1 174 174 ALA CA C 174 55.400 55.400 54.779 0.621 17717 12899 1 13 . 1 1 174 174 ALA CB C 174 17.200 17.200 17.986 -0.786 17717 12900 1 13 . 1 1 174 174 ALA H H 174 8.210 8.210 7.468 0.742 17717 12901 1 13 . 1 1 175 175 GLN N N 175 117.430 117.430 118.161 -0.731 17717 12902 1 13 . 1 1 175 175 GLN HA H 175 4.060 4.060 3.975 0.085 17717 12903 1 13 . 1 1 175 175 GLN CA C 175 58.600 58.600 58.285 0.315 17717 12904 1 13 . 1 1 175 175 GLN CB C 175 27.400 27.400 28.596 -1.196 17717 12905 1 13 . 1 1 175 175 GLN H H 175 8.450 8.450 7.788 0.662 17717 12906 1 13 . 1 1 176 176 ARG N N 176 119.550 119.550 120.941 -1.391 17717 12907 1 13 . 1 1 176 176 ARG HA H 176 4.180 4.180 3.902 0.278 17717 12908 1 13 . 1 1 176 176 ARG CA C 176 56.900 56.900 60.015 -3.115 17717 12909 1 13 . 1 1 176 176 ARG CB C 176 29.300 29.300 30.237 -0.937 17717 12910 1 13 . 1 1 176 176 ARG H H 176 8.070 8.070 8.252 -0.182 17717 12911 1 13 . 1 1 177 177 LEU N N 177 115.840 115.840 116.540 -0.700 17717 12912 1 13 . 1 1 177 177 LEU HA H 177 4.180 4.180 3.913 0.267 17717 12913 1 13 . 1 1 177 177 LEU CA C 177 56.900 56.900 58.037 -1.137 17717 12914 1 13 . 1 1 177 177 LEU CB C 177 40.100 40.100 40.949 -0.849 17717 12915 1 13 . 1 1 177 177 LEU H H 177 8.330 8.330 7.478 0.852 17717 12916 1 13 . 1 1 178 178 ALA N N 178 121.220 121.220 121.350 -0.130 17717 12917 1 13 . 1 1 178 178 ALA HA H 178 3.880 3.880 3.946 -0.066 17717 12918 1 13 . 1 1 178 178 ALA CA C 178 54.600 54.600 54.739 -0.139 17717 12919 1 13 . 1 1 178 178 ALA CB C 178 16.900 16.900 18.024 -1.125 17717 12920 1 13 . 1 1 178 178 ALA H H 178 8.570 8.570 7.521 1.049 17717 12921 1 13 . 1 1 179 179 GLU N N 179 118.490 118.490 120.105 -1.615 17717 12922 1 13 . 1 1 179 179 GLU HA H 179 4.180 4.180 4.092 0.088 17717 12923 1 13 . 1 1 179 179 GLU CA C 179 56.600 56.600 59.135 -2.535 17717 12924 1 13 . 1 1 179 179 GLU CB C 179 29.000 29.000 29.706 -0.706 17717 12925 1 13 . 1 1 179 179 GLU H H 179 7.680 7.680 7.999 -0.319 17717 12926 1 13 . 1 1 180 180 LEU N N 180 117.730 117.730 118.615 -0.885 17717 12927 1 13 . 1 1 180 180 LEU HA H 180 4.265 4.265 4.055 0.210 17717 12928 1 13 . 1 1 180 180 LEU CA C 180 55.020 55.020 57.560 -2.540 17717 12929 1 13 . 1 1 180 180 LEU CB C 180 41.100 41.100 41.812 -0.712 17717 12930 1 13 . 1 1 180 180 LEU H H 180 7.680 7.680 7.706 -0.026 17717 12931 1 13 . 1 1 181 181 LYS N N 181 117.400 117.400 119.034 -1.634 17717 12932 1 13 . 1 1 181 181 LYS HA H 181 4.480 4.480 3.944 0.536 17717 12933 1 13 . 1 1 181 181 LYS CA C 181 61.900 61.900 58.580 3.321 17717 12934 1 13 . 1 1 181 181 LYS CB C 181 31.800 31.800 32.719 -0.919 17717 12935 1 13 . 1 1 181 181 LYS H H 181 7.510 7.510 7.913 -0.403 17717 12936 1 13 . 1 1 182 182 SER N N 182 114.010 114.010 112.722 1.288 17717 12937 1 13 . 1 1 182 182 SER HA H 182 4.350 4.350 4.320 0.030 17717 12938 1 13 . 1 1 182 182 SER CA C 182 58.000 58.000 59.656 -1.656 17717 12939 1 13 . 1 1 182 182 SER CB C 182 63.300 63.300 64.024 -0.724 17717 12940 1 13 . 1 1 182 182 SER H H 182 7.920 7.920 7.689 0.231 17717 12941 1 13 . 1 1 183 183 ASN N N 183 123.040 123.040 119.405 3.635 17717 12942 1 13 . 1 1 183 183 ASN HA H 183 4.310 4.310 4.617 -0.307 17717 12943 1 13 . 1 1 183 183 ASN CA C 183 55.115 55.115 53.191 1.924 17717 12944 1 13 . 1 1 183 183 ASN CB C 183 37.838 37.838 38.113 -0.275 17717 12945 1 13 . 1 1 183 183 ASN H H 183 8.250 8.250 7.908 0.342 17717 12946 1 13 . 1 1 184 184 PRO CA C 184 63.180 63.180 64.467 -1.287 17717 12947 1 13 . 1 1 184 184 PRO CB C 184 31.400 31.400 32.435 -1.035 17717 12948 1 13 . 1 1 185 185 THR N N 185 114.240 114.240 111.374 2.866 17717 12949 1 13 . 1 1 185 185 THR HA H 185 4.270 4.270 4.521 -0.251 17717 12950 1 13 . 1 1 185 185 THR CA C 185 61.200 61.200 61.025 0.175 17717 12951 1 13 . 1 1 185 185 THR CB C 185 69.100 69.100 70.849 -1.749 17717 12952 1 13 . 1 1 185 185 THR H H 185 8.150 8.150 7.625 0.525 17717 12953 1 13 . 1 1 186 186 LEU N N 186 123.270 123.270 118.045 5.225 17717 12954 1 13 . 1 1 186 186 LEU HA H 186 4.350 4.350 4.732 -0.382 17717 12955 1 13 . 1 1 186 186 LEU CA C 186 55.000 55.000 54.352 0.648 17717 12956 1 13 . 1 1 186 186 LEU CB C 186 41.000 41.000 44.613 -3.613 17717 12957 1 13 . 1 1 186 186 LEU H H 186 8.430 8.430 7.984 0.446 17717 12958 1 13 . 1 1 187 187 ASN N N 187 119.020 119.020 121.081 -2.061 17717 12959 1 13 . 1 1 187 187 ASN HA H 187 4.530 4.530 4.726 -0.196 17717 12960 1 13 . 1 1 187 187 ASN CA C 187 53.400 53.400 53.702 -0.301 17717 12961 1 13 . 1 1 187 187 ASN CB C 187 37.900 37.900 38.966 -1.066 17717 12962 1 13 . 1 1 187 187 ASN H H 187 8.370 8.370 8.545 -0.175 17717 12963 1 13 . 1 1 188 188 GLU N N 188 123.270 123.270 124.346 -1.076 17717 12964 1 13 . 1 1 188 188 GLU HA H 188 4.000 4.000 4.098 -0.098 17717 12965 1 13 . 1 1 188 188 GLU CA C 188 61.700 61.700 58.930 2.770 17717 12966 1 13 . 1 1 188 188 GLU CB C 188 32.100 32.100 30.262 1.838 17717 12967 1 13 . 1 1 188 188 GLU H H 188 7.870 7.870 8.896 -1.026 17717 12968 1 13 . 1 1 189 189 TYR N N 189 122.210 122.210 114.741 7.469 17717 12969 1 13 . 1 1 189 189 TYR HA H 189 4.440 4.440 4.576 -0.136 17717 12970 1 13 . 1 1 189 189 TYR CA C 189 57.120 57.120 58.162 -1.042 17717 12971 1 13 . 1 1 189 189 TYR CB C 189 40.000 40.000 40.179 -0.179 17717 12972 1 13 . 1 1 189 189 TYR H H 189 8.590 8.590 8.034 0.556 17717 12973 1 13 . 1 1 190 190 HIS N N 190 124.866 124.866 117.520 7.346 17717 12974 1 13 . 1 1 190 190 HIS HA H 190 4.780 4.780 4.151 0.629 17717 12975 1 13 . 1 1 190 190 HIS CA C 190 56.000 56.000 56.765 -0.765 17717 12976 1 13 . 1 1 190 190 HIS CB C 190 29.400 29.400 29.649 -0.249 17717 12977 1 13 . 1 1 190 190 HIS H H 190 8.420 8.420 8.215 0.205 17717 12978 1 13 . 1 1 191 191 SER N N 191 117.429 117.429 114.724 2.705 17717 12979 1 13 . 1 1 191 191 SER HA H 191 4.140 4.140 4.533 -0.393 17717 12980 1 13 . 1 1 191 191 SER CA C 191 58.140 58.140 59.113 -0.973 17717 12981 1 13 . 1 1 191 191 SER CB C 191 63.140 63.140 62.866 0.274 17717 12982 1 13 . 1 1 191 191 SER H H 191 8.270 8.270 8.027 0.243 17717 12983 1 13 . 1 1 192 192 SER N N 192 124.335 124.335 121.187 3.148 17717 12984 1 13 . 1 1 192 192 SER HA H 192 4.730 4.730 4.555 0.175 17717 12985 1 13 . 1 1 192 192 SER CA C 192 59.020 59.020 58.798 0.222 17717 12986 1 13 . 1 1 192 192 SER CB C 192 63.000 63.000 64.751 -1.750 17717 12987 1 13 . 1 1 192 192 SER H H 192 8.010 8.010 8.720 -0.710 17717 12988 1 13 . 1 1 193 193 ALA N N 193 125.930 125.930 122.708 3.222 17717 12989 1 13 . 1 1 193 193 ALA HA H 193 4.310 4.310 4.251 0.059 17717 12990 1 13 . 1 1 193 193 ALA CA C 193 52.300 52.300 52.897 -0.597 17717 12991 1 13 . 1 1 193 193 ALA CB C 193 18.000 18.000 19.795 -1.795 17717 12992 1 13 . 1 1 193 193 ALA H H 193 8.100 8.100 8.278 -0.178 17717 12993 1 13 . 1 1 194 194 LYS N N 194 126.460 126.460 121.805 4.655 17717 12994 1 13 . 1 1 194 194 LYS HA H 194 4.220 4.220 4.130 0.090 17717 12995 1 13 . 1 1 194 194 LYS CA C 194 56.600 56.600 57.706 -1.106 17717 12996 1 13 . 1 1 194 194 LYS CB C 194 33.000 33.000 32.448 0.552 17717 12997 1 13 . 1 1 194 194 LYS H H 194 7.860 7.860 8.323 -0.463 17717 12998 1 13 . 1 1 195 195 SER N N 195 117.429 117.429 116.724 0.705 17717 12999 1 13 . 1 1 195 195 SER HA H 195 4.430 4.430 4.162 0.268 17717 13000 1 13 . 1 1 195 195 SER CA C 195 58.499 58.499 59.717 -1.218 17717 13001 1 13 . 1 1 195 195 SER CB C 195 63.129 63.129 61.486 1.643 17717 13002 1 13 . 1 1 195 195 SER H H 195 8.240 8.240 8.886 -0.646 17717 13003 1 13 . 1 1 196 196 HIS N N 196 122.440 122.440 118.277 4.163 17717 13004 1 13 . 1 1 196 196 HIS HA H 196 4.222 4.222 4.259 -0.037 17717 13005 1 13 . 1 1 196 196 HIS CA C 196 55.743 55.743 58.353 -2.610 17717 13006 1 13 . 1 1 196 196 HIS CB C 196 28.566 28.566 29.634 -1.068 17717 13007 1 13 . 1 1 196 196 HIS H H 196 8.044 8.044 8.662 -0.618 17717 13008 1 13 . 1 1 197 197 LEU N N 197 117.429 117.429 119.881 -2.452 17717 13009 1 13 . 1 1 197 197 LEU HA H 197 4.179 4.179 3.829 0.350 17717 13010 1 13 . 1 1 197 197 LEU CA C 197 54.540 54.540 57.745 -3.205 17717 13011 1 13 . 1 1 197 197 LEU CB C 197 40.040 40.040 41.585 -1.545 17717 13012 1 13 . 1 1 197 197 LEU H H 197 8.044 8.044 8.320 -0.276 17717 13013 1 13 . 1 1 198 198 LYS N N 198 117.430 117.430 119.050 -1.620 17717 13014 1 13 . 1 1 198 198 LYS HA H 198 4.140 4.140 3.902 0.238 17717 13015 1 13 . 1 1 198 198 LYS CA C 198 57.600 57.600 59.831 -2.232 17717 13016 1 13 . 1 1 198 198 LYS CB C 198 32.000 32.000 31.685 0.315 17717 13017 1 13 . 1 1 198 198 LYS H H 198 7.510 7.510 7.680 -0.170 17717 13018 1 13 . 1 1 199 199 SER N N 199 114.315 114.315 114.785 -0.470 17717 13019 1 13 . 1 1 199 199 SER HA H 199 4.310 4.310 4.187 0.123 17717 13020 1 13 . 1 1 199 199 SER CA C 199 62.000 62.000 61.586 0.414 17717 13021 1 13 . 1 1 199 199 SER CB C 199 63.600 63.600 63.038 0.562 17717 13022 1 13 . 1 1 199 199 SER H H 199 7.930 7.930 8.300 -0.370 17717 13023 1 13 . 1 1 200 200 LEU N N 200 124.335 124.335 121.722 2.613 17717 13024 1 13 . 1 1 200 200 LEU HA H 200 4.260 4.260 4.213 0.047 17717 13025 1 13 . 1 1 200 200 LEU CA C 200 55.200 55.200 57.492 -2.292 17717 13026 1 13 . 1 1 200 200 LEU CB C 200 41.200 41.200 41.825 -0.625 17717 13027 1 13 . 1 1 200 200 LEU H H 200 8.170 8.170 7.344 0.826 17717 13028 1 13 . 1 1 201 201 GLY N N 201 109.990 109.990 106.054 3.936 17717 13029 1 13 . 1 1 201 201 GLY CA C 201 44.700 44.700 46.969 -2.269 17717 13030 1 13 . 1 1 201 201 GLY H H 201 8.290 8.290 7.893 0.397 17717 13031 1 13 . 1 1 202 202 GLU N N 202 126.460 126.460 120.698 5.762 17717 13032 1 13 . 1 1 202 202 GLU HA H 202 4.220 4.220 4.198 0.022 17717 13033 1 13 . 1 1 202 202 GLU CA C 202 56.600 56.600 58.142 -1.542 17717 13034 1 13 . 1 1 202 202 GLU CB C 202 32.800 32.800 30.052 2.748 17717 13035 1 13 . 1 1 202 202 GLU H H 202 7.750 7.750 7.782 -0.032 17717 13036 1 13 . 1 1 203 203 LYS CA C 203 55.775 55.775 55.050 0.725 17717 13037 1 13 . 1 1 203 203 LYS CB C 203 32.283 32.283 32.780 -0.497 17717 13038 1 13 . 1 1 204 204 ALA N N 204 125.390 125.390 122.089 3.301 17717 13039 1 13 . 1 1 204 204 ALA HA H 204 4.310 4.310 4.509 -0.199 17717 13040 1 13 . 1 1 204 204 ALA CA C 204 52.000 52.000 51.017 0.983 17717 13041 1 13 . 1 1 204 204 ALA CB C 204 18.400 18.400 21.181 -2.781 17717 13042 1 13 . 1 1 204 204 ALA H H 204 8.180 8.180 7.246 0.934 17717 13043 1 13 . 1 1 205 205 ARG N N 205 121.150 121.150 119.405 1.745 17717 13044 1 13 . 1 1 205 205 ARG HA H 205 4.270 4.270 4.579 -0.309 17717 13045 1 13 . 1 1 205 205 ARG CA C 205 56.384 56.384 53.980 2.404 17717 13046 1 13 . 1 1 205 205 ARG CB C 205 29.193 29.193 30.618 -1.425 17717 13047 1 13 . 1 1 205 205 ARG H H 205 8.350 8.350 8.464 -0.114 17717 13048 1 13 . 1 1 206 206 PRO CA C 206 62.600 62.600 63.660 -1.060 17717 13049 1 13 . 1 1 206 206 PRO CB C 206 31.400 31.400 30.235 1.165 17717 13050 1 13 . 1 1 207 207 ALA N N 207 125.400 125.400 124.157 1.243 17717 13051 1 13 . 1 1 207 207 ALA HA H 207 4.308 4.308 4.423 -0.115 17717 13052 1 13 . 1 1 207 207 ALA CA C 207 51.700 51.700 52.870 -1.170 17717 13053 1 13 . 1 1 207 207 ALA CB C 207 18.200 18.200 20.221 -2.021 17717 13054 1 13 . 1 1 207 207 ALA H H 207 8.400 8.400 8.506 -0.106 17717 13055 1 13 . 1 1 208 208 LEU N N 208 121.680 121.680 119.317 2.363 17717 13056 1 13 . 1 1 208 208 LEU HA H 208 4.480 4.480 4.340 0.140 17717 13057 1 13 . 1 1 208 208 LEU CA C 208 55.100 55.100 57.519 -2.419 17717 13058 1 13 . 1 1 208 208 LEU CB C 208 41.200 41.200 41.904 -0.704 17717 13059 1 13 . 1 1 208 208 LEU H H 208 8.180 8.180 7.530 0.650 17717 13060 1 13 . 1 1 209 209 GLU N N 209 121.147 121.147 119.929 1.218 17717 13061 1 13 . 1 1 209 209 GLU HA H 209 4.180 4.180 3.917 0.263 17717 13062 1 13 . 1 1 209 209 GLU CA C 209 56.477 56.477 60.061 -3.584 17717 13063 1 13 . 1 1 209 209 GLU CB C 209 29.250 29.250 29.316 -0.066 17717 13064 1 13 . 1 1 209 209 GLU H H 209 8.380 8.380 8.458 -0.078 17717 13065 1 13 . 1 1 210 210 ASP N N 210 121.147 121.147 118.432 2.715 17717 13066 1 13 . 1 1 210 210 ASP HA H 210 4.260 4.260 4.520 -0.260 17717 13067 1 13 . 1 1 210 210 ASP CA C 210 55.000 55.000 57.016 -2.016 17717 13068 1 13 . 1 1 210 210 ASP CB C 210 37.200 37.200 40.809 -3.609 17717 13069 1 13 . 1 1 210 210 ASP H H 210 8.280 8.280 7.895 0.385 17717 13070 1 13 . 1 1 211 211 LEU N N 211 122.210 122.210 116.419 5.791 17717 13071 1 13 . 1 1 211 211 LEU HA H 211 4.220 4.220 4.416 -0.196 17717 13072 1 13 . 1 1 211 211 LEU CA C 211 57.400 57.400 56.767 0.633 17717 13073 1 13 . 1 1 211 211 LEU CB C 211 39.430 39.430 41.308 -1.878 17717 13074 1 13 . 1 1 211 211 LEU H H 211 8.640 8.640 7.315 1.325 17717 13075 1 13 . 1 1 212 212 ARG N N 212 119.550 119.550 119.272 0.278 17717 13076 1 13 . 1 1 212 212 ARG HA H 212 4.220 4.220 3.881 0.339 17717 13077 1 13 . 1 1 212 212 ARG CA C 212 57.400 57.400 59.245 -1.845 17717 13078 1 13 . 1 1 212 212 ARG CB C 212 29.600 29.600 30.040 -0.440 17717 13079 1 13 . 1 1 212 212 ARG H H 212 7.910 7.910 8.449 -0.539 17717 13080 1 13 . 1 1 213 213 HIS CA C 213 56.200 56.200 58.791 -2.591 17717 13081 1 13 . 1 1 213 213 HIS CB C 213 31.900 31.900 30.450 1.450 17717 13082 1 13 . 1 1 214 214 SER N N 214 116.366 116.366 116.944 -0.578 17717 13083 1 13 . 1 1 214 214 SER HA H 214 4.265 4.265 4.505 -0.240 17717 13084 1 13 . 1 1 214 214 SER CA C 214 61.100 61.100 57.608 3.492 17717 13085 1 13 . 1 1 214 214 SER CB C 214 63.100 63.100 62.316 0.784 17717 13086 1 13 . 1 1 214 214 SER H H 214 8.140 8.140 7.761 0.379 17717 13087 1 13 . 1 1 215 215 LEU N N 215 130.565 130.565 123.704 6.861 17717 13088 1 13 . 1 1 215 215 LEU HA H 215 4.730 4.730 4.440 0.290 17717 13089 1 13 . 1 1 215 215 LEU CA C 215 54.900 54.900 54.632 0.268 17717 13090 1 13 . 1 1 215 215 LEU CB C 215 42.000 42.000 43.553 -1.554 17717 13091 1 13 . 1 1 215 215 LEU H H 215 7.890 7.890 7.478 0.412 17717 13092 1 14 . 1 1 2 2 GLU N N 2 121.678 121.678 122.952 -1.274 17717 13093 1 14 . 1 1 2 2 GLU HA H 2 4.488 4.488 4.439 0.049 17717 13094 1 14 . 1 1 2 2 GLU CA C 2 56.418 56.418 55.828 0.590 17717 13095 1 14 . 1 1 2 2 GLU CB C 2 29.014 29.014 30.086 -1.072 17717 13096 1 14 . 1 1 2 2 GLU H H 2 8.276 8.276 8.371 -0.095 17717 13097 1 14 . 1 1 3 3 PRO CA C 3 62.923 62.923 62.914 0.009 17717 13098 1 14 . 1 1 3 3 PRO CB C 3 31.547 31.547 32.831 -1.284 17717 13099 1 14 . 1 1 4 4 GLN N N 4 121.147 121.147 119.749 1.398 17717 13100 1 14 . 1 1 4 4 GLN HA H 4 4.349 4.349 4.244 0.105 17717 13101 1 14 . 1 1 4 4 GLN CA C 4 55.450 55.450 58.131 -2.681 17717 13102 1 14 . 1 1 4 4 GLN CB C 4 28.854 28.854 28.669 0.185 17717 13103 1 14 . 1 1 4 4 GLN H H 4 8.500 8.500 8.603 -0.103 17717 13104 1 14 . 1 1 5 5 SER N N 5 117.429 117.429 109.963 7.466 17717 13105 1 14 . 1 1 5 5 SER HA H 5 4.329 4.329 3.479 0.850 17717 13106 1 14 . 1 1 5 5 SER CA C 5 58.100 58.100 57.459 0.641 17717 13107 1 14 . 1 1 5 5 SER CB C 5 63.485 63.485 63.184 0.301 17717 13108 1 14 . 1 1 5 5 SER H H 5 8.370 8.370 7.868 0.502 17717 13109 1 14 . 1 1 6 6 GLN N N 6 123.803 123.803 120.426 3.377 17717 13110 1 14 . 1 1 6 6 GLN CA C 6 56.330 56.330 58.337 -2.007 17717 13111 1 14 . 1 1 6 6 GLN CB C 6 28.800 28.800 28.639 0.161 17717 13112 1 14 . 1 1 6 6 GLN H H 6 8.620 8.620 8.679 -0.059 17717 13113 1 14 . 1 1 7 7 TRP N N 7 119.022 119.022 118.802 0.220 17717 13114 1 14 . 1 1 7 7 TRP HA H 7 4.394 4.394 4.462 -0.068 17717 13115 1 14 . 1 1 7 7 TRP CA C 7 59.800 59.800 59.575 0.225 17717 13116 1 14 . 1 1 7 7 TRP CB C 7 27.800 27.800 28.210 -0.411 17717 13117 1 14 . 1 1 7 7 TRP H H 7 7.970 7.970 8.385 -0.415 17717 13118 1 14 . 1 1 8 8 ASP N N 8 121.678 121.678 120.353 1.325 17717 13119 1 14 . 1 1 8 8 ASP HA H 8 4.409 4.409 4.290 0.119 17717 13120 1 14 . 1 1 8 8 ASP CA C 8 56.912 56.912 57.116 -0.204 17717 13121 1 14 . 1 1 8 8 ASP CB C 8 38.400 38.400 39.971 -1.571 17717 13122 1 14 . 1 1 8 8 ASP H H 8 8.440 8.440 6.924 1.516 17717 13123 1 14 . 1 1 9 9 LYS N N 9 120.616 120.616 120.711 -0.095 17717 13124 1 14 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.150 -0.060 17717 13125 1 14 . 1 1 9 9 LYS CA C 9 58.277 58.277 58.638 -0.361 17717 13126 1 14 . 1 1 9 9 LYS CB C 9 31.550 31.550 32.068 -0.518 17717 13127 1 14 . 1 1 9 9 LYS H H 9 7.830 7.830 7.304 0.526 17717 13128 1 14 . 1 1 10 10 VAL N N 10 118.491 118.491 115.429 3.062 17717 13129 1 14 . 1 1 10 10 VAL HA H 10 3.830 3.830 4.309 -0.479 17717 13130 1 14 . 1 1 10 10 VAL CA C 10 65.630 65.630 66.476 -0.846 17717 13131 1 14 . 1 1 10 10 VAL CB C 10 31.300 31.300 31.371 -0.071 17717 13132 1 14 . 1 1 10 10 VAL H H 10 7.160 7.160 8.096 -0.936 17717 13133 1 14 . 1 1 11 11 LYS N N 11 122.210 122.210 119.456 2.754 17717 13134 1 14 . 1 1 11 11 LYS HA H 11 3.880 3.880 3.954 -0.074 17717 13135 1 14 . 1 1 11 11 LYS CA C 11 59.460 59.460 59.216 0.244 17717 13136 1 14 . 1 1 11 11 LYS CB C 11 31.200 31.200 32.152 -0.952 17717 13137 1 14 . 1 1 11 11 LYS H H 11 8.660 8.660 7.689 0.971 17717 13138 1 14 . 1 1 12 12 ASP N N 12 119.553 119.553 120.694 -1.141 17717 13139 1 14 . 1 1 12 12 ASP HA H 12 4.140 4.140 4.507 -0.367 17717 13140 1 14 . 1 1 12 12 ASP CA C 12 57.381 57.381 57.344 0.037 17717 13141 1 14 . 1 1 12 12 ASP CB C 12 39.800 39.800 40.956 -1.156 17717 13142 1 14 . 1 1 12 12 ASP H H 12 7.790 7.790 7.760 0.030 17717 13143 1 14 . 1 1 13 13 PHE N N 13 116.500 116.500 118.550 -2.050 17717 13144 1 14 . 1 1 13 13 PHE HA H 13 4.690 4.690 4.150 0.540 17717 13145 1 14 . 1 1 13 13 PHE CA C 13 58.662 58.662 60.481 -1.819 17717 13146 1 14 . 1 1 13 13 PHE CB C 13 38.700 38.700 37.972 0.728 17717 13147 1 14 . 1 1 13 13 PHE H H 13 7.680 7.680 7.709 -0.029 17717 13148 1 14 . 1 1 14 14 ALA N N 14 122.209 122.209 122.530 -0.321 17717 13149 1 14 . 1 1 14 14 ALA HA H 14 4.008 4.008 3.616 0.392 17717 13150 1 14 . 1 1 14 14 ALA CA C 14 54.550 54.550 54.728 -0.178 17717 13151 1 14 . 1 1 14 14 ALA CB C 14 17.250 17.250 18.023 -0.773 17717 13152 1 14 . 1 1 14 14 ALA H H 14 8.760 8.760 7.211 1.549 17717 13153 1 14 . 1 1 15 15 ASN N N 15 119.553 119.553 115.518 4.035 17717 13154 1 14 . 1 1 15 15 ASN HA H 15 4.520 4.520 4.409 0.111 17717 13155 1 14 . 1 1 15 15 ASN CA C 15 56.084 56.084 55.028 1.056 17717 13156 1 14 . 1 1 15 15 ASN CB C 15 38.544 38.544 38.602 -0.058 17717 13157 1 14 . 1 1 15 15 ASN H H 15 8.930 8.930 7.602 1.328 17717 13158 1 14 . 1 1 16 16 VAL N N 16 116.897 116.897 121.870 -4.973 17717 13159 1 14 . 1 1 16 16 VAL HA H 16 3.590 3.590 3.588 0.002 17717 13160 1 14 . 1 1 16 16 VAL CA C 16 64.600 64.600 67.700 -3.099 17717 13161 1 14 . 1 1 16 16 VAL CB C 16 31.800 31.800 31.636 0.164 17717 13162 1 14 . 1 1 16 16 VAL H H 16 7.870 7.870 7.464 0.406 17717 13163 1 14 . 1 1 17 17 TYR N N 17 112.116 112.116 117.185 -5.069 17717 13164 1 14 . 1 1 17 17 TYR HA H 17 4.751 4.751 4.357 0.394 17717 13165 1 14 . 1 1 17 17 TYR CA C 17 59.040 59.040 60.534 -1.494 17717 13166 1 14 . 1 1 17 17 TYR CB C 17 39.060 39.060 37.151 1.909 17717 13167 1 14 . 1 1 17 17 TYR H H 17 8.000 8.000 8.162 -0.162 17717 13168 1 14 . 1 1 18 18 VAL N N 18 114.241 114.241 120.776 -6.535 17717 13169 1 14 . 1 1 18 18 VAL HA H 18 4.220 4.220 3.341 0.879 17717 13170 1 14 . 1 1 18 18 VAL CA C 18 63.520 63.520 66.670 -3.150 17717 13171 1 14 . 1 1 18 18 VAL CB C 18 31.128 31.128 31.326 -0.198 17717 13172 1 14 . 1 1 18 18 VAL H H 18 7.600 7.600 6.783 0.817 17717 13173 1 14 . 1 1 19 19 ASP N N 19 123.272 123.272 120.035 3.237 17717 13174 1 14 . 1 1 19 19 ASP HA H 19 4.523 4.523 4.325 0.198 17717 13175 1 14 . 1 1 19 19 ASP CA C 19 56.445 56.445 57.757 -1.312 17717 13176 1 14 . 1 1 19 19 ASP CB C 19 38.700 38.700 40.827 -2.127 17717 13177 1 14 . 1 1 19 19 ASP H H 19 8.890 8.890 8.129 0.761 17717 13178 1 14 . 1 1 20 20 ALA N N 20 118.491 118.491 122.558 -4.067 17717 13179 1 14 . 1 1 20 20 ALA HA H 20 4.230 4.230 4.233 -0.003 17717 13180 1 14 . 1 1 20 20 ALA CA C 20 54.100 54.100 55.194 -1.095 17717 13181 1 14 . 1 1 20 20 ALA CB C 20 18.760 18.760 18.926 -0.166 17717 13182 1 14 . 1 1 20 20 ALA H H 20 6.630 6.630 7.406 -0.776 17717 13183 1 14 . 1 1 21 21 VAL N N 21 116.897 116.897 115.581 1.316 17717 13184 1 14 . 1 1 21 21 VAL HA H 21 3.664 3.664 3.686 -0.022 17717 13185 1 14 . 1 1 21 21 VAL CA C 21 66.200 66.200 65.206 0.994 17717 13186 1 14 . 1 1 21 21 VAL CB C 21 30.460 30.460 31.298 -0.838 17717 13187 1 14 . 1 1 21 21 VAL H H 21 7.410 7.410 7.608 -0.198 17717 13188 1 14 . 1 1 22 22 LYS N N 22 121.147 121.147 119.552 1.595 17717 13189 1 14 . 1 1 22 22 LYS HA H 22 4.222 4.222 4.028 0.194 17717 13190 1 14 . 1 1 22 22 LYS CA C 22 59.300 59.300 59.560 -0.260 17717 13191 1 14 . 1 1 22 22 LYS CB C 22 31.100 31.100 31.943 -0.843 17717 13192 1 14 . 1 1 22 22 LYS H H 22 8.180 8.180 8.351 -0.171 17717 13193 1 14 . 1 1 23 23 ASP N N 23 121.278 121.278 118.367 2.911 17717 13194 1 14 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.501 0.065 17717 13195 1 14 . 1 1 23 23 ASP CA C 23 56.300 56.300 56.886 -0.586 17717 13196 1 14 . 1 1 23 23 ASP CB C 23 38.800 38.800 40.657 -1.857 17717 13197 1 14 . 1 1 23 23 ASP H H 23 8.860 8.860 7.617 1.243 17717 13198 1 14 . 1 1 24 24 SER N N 24 118.491 118.491 114.264 4.227 17717 13199 1 14 . 1 1 24 24 SER HA H 24 4.132 4.132 3.965 0.167 17717 13200 1 14 . 1 1 24 24 SER CA C 24 61.600 61.600 61.113 0.487 17717 13201 1 14 . 1 1 24 24 SER CB C 24 62.442 62.442 62.474 -0.032 17717 13202 1 14 . 1 1 24 24 SER H H 24 7.950 7.950 7.922 0.028 17717 13203 1 14 . 1 1 25 25 GLY N N 25 108.377 108.377 110.930 -2.553 17717 13204 1 14 . 1 1 25 25 GLY CA C 25 44.400 44.400 46.839 -2.439 17717 13205 1 14 . 1 1 25 25 GLY H H 25 7.560 7.560 7.864 -0.304 17717 13206 1 14 . 1 1 26 26 ARG N N 26 124.240 124.240 121.475 2.765 17717 13207 1 14 . 1 1 26 26 ARG HA H 26 4.303 4.303 4.160 0.143 17717 13208 1 14 . 1 1 26 26 ARG CA C 26 54.000 54.000 58.464 -4.464 17717 13209 1 14 . 1 1 26 26 ARG CB C 26 28.240 28.240 30.051 -1.811 17717 13210 1 14 . 1 1 26 26 ARG H H 26 8.200 8.200 7.773 0.427 17717 13211 1 14 . 1 1 27 27 ASP N N 27 121.678 121.678 119.211 2.467 17717 13212 1 14 . 1 1 27 27 ASP HA H 27 4.211 4.211 4.573 -0.362 17717 13213 1 14 . 1 1 27 27 ASP CA C 27 58.380 58.380 57.782 0.598 17717 13214 1 14 . 1 1 27 27 ASP CB C 27 40.400 40.400 41.382 -0.982 17717 13215 1 14 . 1 1 27 27 ASP H H 27 7.880 7.880 7.755 0.125 17717 13216 1 14 . 1 1 28 28 TYR N N 28 121.440 121.440 122.115 -0.675 17717 13217 1 14 . 1 1 28 28 TYR HA H 28 4.480 4.480 4.883 -0.403 17717 13218 1 14 . 1 1 28 28 TYR CA C 28 57.800 57.800 60.085 -2.285 17717 13219 1 14 . 1 1 28 28 TYR CB C 28 38.322 38.322 38.926 -0.604 17717 13220 1 14 . 1 1 28 28 TYR H H 28 8.020 8.020 8.296 -0.276 17717 13221 1 14 . 1 1 29 29 VAL N N 29 123.272 123.272 118.486 4.786 17717 13222 1 14 . 1 1 29 29 VAL HA H 29 4.040 4.040 3.545 0.495 17717 13223 1 14 . 1 1 29 29 VAL CA C 29 66.400 66.400 64.647 1.753 17717 13224 1 14 . 1 1 29 29 VAL CB C 29 30.500 30.500 30.994 -0.494 17717 13225 1 14 . 1 1 29 29 VAL H H 29 8.280 8.280 8.086 0.194 17717 13226 1 14 . 1 1 30 30 SER N N 30 117.429 117.429 116.007 1.422 17717 13227 1 14 . 1 1 30 30 SER HA H 30 4.000 4.000 4.056 -0.056 17717 13228 1 14 . 1 1 30 30 SER CA C 30 61.070 61.070 61.501 -0.431 17717 13229 1 14 . 1 1 30 30 SER CB C 30 62.000 62.000 62.863 -0.863 17717 13230 1 14 . 1 1 30 30 SER H H 30 8.930 8.930 7.603 1.327 17717 13231 1 14 . 1 1 31 31 GLN N N 31 121.147 121.147 121.239 -0.092 17717 13232 1 14 . 1 1 31 31 GLN HA H 31 4.136 4.136 4.026 0.110 17717 13233 1 14 . 1 1 31 31 GLN CA C 31 58.210 58.210 58.692 -0.482 17717 13234 1 14 . 1 1 31 31 GLN CB C 31 27.600 27.600 28.509 -0.909 17717 13235 1 14 . 1 1 31 31 GLN H H 31 7.740 7.740 7.547 0.193 17717 13236 1 14 . 1 1 32 32 PHE N N 32 117.429 117.429 119.809 -2.380 17717 13237 1 14 . 1 1 32 32 PHE HA H 32 4.020 4.020 3.988 0.032 17717 13238 1 14 . 1 1 32 32 PHE CA C 32 60.600 60.600 61.378 -0.778 17717 13239 1 14 . 1 1 32 32 PHE CB C 32 36.896 36.896 38.740 -1.844 17717 13240 1 14 . 1 1 32 32 PHE H H 32 7.200 7.200 7.615 -0.415 17717 13241 1 14 . 1 1 33 33 GLU N N 33 122.210 122.210 118.742 3.468 17717 13242 1 14 . 1 1 33 33 GLU HA H 33 4.769 4.769 3.521 1.248 17717 13243 1 14 . 1 1 33 33 GLU CA C 33 59.220 59.220 58.759 0.461 17717 13244 1 14 . 1 1 33 33 GLU CB C 33 29.240 29.240 28.969 0.271 17717 13245 1 14 . 1 1 33 33 GLU H H 33 8.160 8.160 7.738 0.422 17717 13246 1 14 . 1 1 34 34 SER N N 34 109.991 109.991 113.825 -3.834 17717 13247 1 14 . 1 1 34 34 SER HA H 34 4.309 4.309 4.234 0.075 17717 13248 1 14 . 1 1 34 34 SER CA C 34 58.240 58.240 60.459 -2.219 17717 13249 1 14 . 1 1 34 34 SER CB C 34 63.260 63.260 62.812 0.448 17717 13250 1 14 . 1 1 34 34 SER H H 34 7.890 7.890 7.727 0.163 17717 13251 1 14 . 1 1 35 35 SER N N 35 120.085 120.085 118.398 1.687 17717 13252 1 14 . 1 1 35 35 SER HA H 35 4.354 4.354 4.100 0.254 17717 13253 1 14 . 1 1 35 35 SER CA C 35 58.100 58.100 61.726 -3.626 17717 13254 1 14 . 1 1 35 35 SER CB C 35 64.398 64.398 62.783 1.615 17717 13255 1 14 . 1 1 35 35 SER H H 35 7.420 7.420 7.999 -0.579 17717 13256 1 14 . 1 1 36 36 SER N N 36 116.130 116.130 118.698 -2.568 17717 13257 1 14 . 1 1 36 36 SER HA H 36 4.350 4.350 4.061 0.289 17717 13258 1 14 . 1 1 36 36 SER CA C 36 58.600 58.600 61.853 -3.253 17717 13259 1 14 . 1 1 36 36 SER CB C 36 63.370 63.370 62.797 0.573 17717 13260 1 14 . 1 1 36 36 SER H H 36 8.100 8.100 7.506 0.594 17717 13261 1 14 . 1 1 37 37 LEU N N 37 121.678 121.678 121.519 0.159 17717 13262 1 14 . 1 1 37 37 LEU HA H 37 4.222 4.222 4.058 0.164 17717 13263 1 14 . 1 1 37 37 LEU CA C 37 56.400 56.400 57.044 -0.644 17717 13264 1 14 . 1 1 37 37 LEU CB C 37 41.200 41.200 41.802 -0.602 17717 13265 1 14 . 1 1 37 37 LEU H H 37 8.290 8.290 7.386 0.904 17717 13266 1 14 . 1 1 38 38 GLY N N 38 108.400 108.400 104.615 3.785 17717 13267 1 14 . 1 1 38 38 GLY CA C 38 46.220 46.220 46.464 -0.244 17717 13268 1 14 . 1 1 38 38 GLY H H 38 7.280 7.280 8.032 -0.752 17717 13269 1 14 . 1 1 39 39 GLN N N 39 120.920 120.920 122.480 -1.560 17717 13270 1 14 . 1 1 39 39 GLN HA H 39 4.092 4.092 3.944 0.148 17717 13271 1 14 . 1 1 39 39 GLN CA C 39 57.423 57.423 58.738 -1.315 17717 13272 1 14 . 1 1 39 39 GLN CB C 39 28.847 28.847 28.365 0.482 17717 13273 1 14 . 1 1 39 39 GLN H H 39 8.360 8.360 7.809 0.551 17717 13274 1 14 . 1 1 40 40 GLN N N 40 118.648 118.648 118.804 -0.156 17717 13275 1 14 . 1 1 40 40 GLN HA H 40 4.040 4.040 4.038 0.002 17717 13276 1 14 . 1 1 40 40 GLN CA C 40 57.471 57.471 58.291 -0.820 17717 13277 1 14 . 1 1 40 40 GLN CB C 40 28.777 28.777 28.317 0.460 17717 13278 1 14 . 1 1 40 40 GLN H H 40 7.630 7.630 7.658 -0.028 17717 13279 1 14 . 1 1 41 41 LEU N N 41 116.800 116.800 121.998 -5.198 17717 13280 1 14 . 1 1 41 41 LEU HA H 41 4.222 4.222 3.974 0.248 17717 13281 1 14 . 1 1 41 41 LEU CA C 41 55.400 55.400 58.169 -2.769 17717 13282 1 14 . 1 1 41 41 LEU CB C 41 41.754 41.754 42.089 -0.335 17717 13283 1 14 . 1 1 41 41 LEU H H 41 8.010 8.010 7.780 0.230 17717 13284 1 14 . 1 1 42 42 ASN N N 42 115.840 115.840 117.356 -1.516 17717 13285 1 14 . 1 1 42 42 ASN HA H 42 4.485 4.485 4.373 0.112 17717 13286 1 14 . 1 1 42 42 ASN CA C 42 53.500 53.500 56.263 -2.763 17717 13287 1 14 . 1 1 42 42 ASN CB C 42 37.000 37.000 38.638 -1.638 17717 13288 1 14 . 1 1 42 42 ASN H H 42 7.840 7.840 7.813 0.027 17717 13289 1 14 . 1 1 43 43 LEU N N 43 118.490 118.490 120.720 -2.230 17717 13290 1 14 . 1 1 43 43 LEU HA H 43 4.480 4.480 4.052 0.428 17717 13291 1 14 . 1 1 43 43 LEU CA C 43 55.502 55.502 57.360 -1.858 17717 13292 1 14 . 1 1 43 43 LEU CB C 43 41.200 41.200 41.060 0.140 17717 13293 1 14 . 1 1 43 43 LEU H H 43 9.670 9.670 7.867 1.802 17717 13294 1 14 . 1 1 44 44 ASN N N 44 119.553 119.553 117.666 1.887 17717 13295 1 14 . 1 1 44 44 ASN HA H 44 4.520 4.520 4.423 0.097 17717 13296 1 14 . 1 1 44 44 ASN CA C 44 52.770 52.770 56.744 -3.974 17717 13297 1 14 . 1 1 44 44 ASN CB C 44 36.200 36.200 38.410 -2.210 17717 13298 1 14 . 1 1 44 44 ASN H H 44 8.950 8.950 8.006 0.944 17717 13299 1 14 . 1 1 45 45 LEU N N 45 119.553 119.553 117.834 1.719 17717 13300 1 14 . 1 1 45 45 LEU HA H 45 4.048 4.048 4.183 -0.135 17717 13301 1 14 . 1 1 45 45 LEU CA C 45 55.569 55.569 57.656 -2.087 17717 13302 1 14 . 1 1 45 45 LEU CB C 45 41.250 41.250 41.495 -0.245 17717 13303 1 14 . 1 1 45 45 LEU H H 45 8.970 8.970 7.444 1.526 17717 13304 1 14 . 1 1 46 46 LEU N N 46 116.900 116.900 119.175 -2.275 17717 13305 1 14 . 1 1 46 46 LEU HA H 46 4.351 4.351 4.213 0.138 17717 13306 1 14 . 1 1 46 46 LEU CA C 46 54.684 54.684 57.791 -3.107 17717 13307 1 14 . 1 1 46 46 LEU CB C 46 39.800 39.800 42.232 -2.432 17717 13308 1 14 . 1 1 46 46 LEU H H 46 8.450 8.450 7.218 1.232 17717 13309 1 14 . 1 1 47 47 GLU N N 47 122.741 122.741 118.709 4.032 17717 13310 1 14 . 1 1 47 47 GLU HA H 47 4.018 4.018 3.957 0.061 17717 13311 1 14 . 1 1 47 47 GLU CA C 47 58.280 58.280 59.508 -1.228 17717 13312 1 14 . 1 1 47 47 GLU CB C 47 28.800 28.800 29.198 -0.398 17717 13313 1 14 . 1 1 47 47 GLU H H 47 7.490 7.490 8.274 -0.784 17717 13314 1 14 . 1 1 48 48 ASN N N 48 117.200 117.200 118.662 -1.462 17717 13315 1 14 . 1 1 48 48 ASN HA H 48 4.300 4.300 4.590 -0.290 17717 13316 1 14 . 1 1 48 48 ASN CA C 48 53.550 53.550 55.684 -2.134 17717 13317 1 14 . 1 1 48 48 ASN CB C 48 38.490 38.490 38.658 -0.168 17717 13318 1 14 . 1 1 48 48 ASN H H 48 8.450 8.450 8.499 -0.049 17717 13319 1 14 . 1 1 49 49 TRP N N 49 119.320 119.320 119.679 -0.359 17717 13320 1 14 . 1 1 49 49 TRP HA H 49 4.300 4.300 4.431 -0.131 17717 13321 1 14 . 1 1 49 49 TRP CA C 49 56.200 56.200 59.117 -2.917 17717 13322 1 14 . 1 1 49 49 TRP CB C 49 27.800 27.800 29.666 -1.866 17717 13323 1 14 . 1 1 49 49 TRP H H 49 8.050 8.050 7.484 0.566 17717 13324 1 14 . 1 1 50 50 ASP N N 50 124.860 124.860 117.047 7.813 17717 13325 1 14 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.703 -0.013 17717 13326 1 14 . 1 1 50 50 ASP CA C 50 54.180 54.180 55.307 -1.127 17717 13327 1 14 . 1 1 50 50 ASP CB C 50 40.318 40.318 42.880 -2.562 17717 13328 1 14 . 1 1 50 50 ASP H H 50 8.470 8.470 7.589 0.881 17717 13329 1 14 . 1 1 51 51 THR N N 51 114.240 114.240 114.176 0.064 17717 13330 1 14 . 1 1 51 51 THR HA H 51 4.250 4.250 4.435 -0.185 17717 13331 1 14 . 1 1 51 51 THR CA C 51 61.800 61.800 61.331 0.469 17717 13332 1 14 . 1 1 51 51 THR CB C 51 69.000 69.000 69.555 -0.555 17717 13333 1 14 . 1 1 51 51 THR H H 51 7.920 7.920 8.172 -0.252 17717 13334 1 14 . 1 1 52 52 LEU N N 52 124.335 124.335 128.521 -4.186 17717 13335 1 14 . 1 1 52 52 LEU HA H 52 4.261 4.261 4.267 -0.006 17717 13336 1 14 . 1 1 52 52 LEU CA C 52 54.800 54.800 56.092 -1.292 17717 13337 1 14 . 1 1 52 52 LEU CB C 52 41.200 41.200 42.114 -0.914 17717 13338 1 14 . 1 1 52 52 LEU H H 52 8.000 8.000 8.712 -0.712 17717 13339 1 14 . 1 1 53 53 GLY N N 53 109.991 109.991 111.146 -1.155 17717 13340 1 14 . 1 1 53 53 GLY CA C 53 44.700 44.700 45.026 -0.326 17717 13341 1 14 . 1 1 53 53 GLY H H 53 8.450 8.450 8.367 0.083 17717 13342 1 14 . 1 1 54 54 SER N N 54 113.710 113.710 114.855 -1.145 17717 13343 1 14 . 1 1 54 54 SER HA H 54 4.480 4.480 4.126 0.354 17717 13344 1 14 . 1 1 54 54 SER CA C 54 57.300 57.300 59.366 -2.066 17717 13345 1 14 . 1 1 54 54 SER CB C 54 63.100 63.100 63.851 -0.751 17717 13346 1 14 . 1 1 54 54 SER H H 54 8.060 8.060 7.950 0.110 17717 13347 1 14 . 1 1 55 55 THR N N 55 116.897 116.897 113.620 3.277 17717 13348 1 14 . 1 1 55 55 THR HA H 55 4.044 4.044 4.331 -0.287 17717 13349 1 14 . 1 1 55 55 THR CA C 55 61.700 61.700 62.713 -1.013 17717 13350 1 14 . 1 1 55 55 THR CB C 55 69.800 69.800 70.064 -0.264 17717 13351 1 14 . 1 1 55 55 THR H H 55 8.210 8.210 8.269 -0.059 17717 13352 1 14 . 1 1 56 56 VAL N N 56 123.300 123.300 118.616 4.684 17717 13353 1 14 . 1 1 56 56 VAL HA H 56 3.793 3.793 3.783 0.010 17717 13354 1 14 . 1 1 56 56 VAL CA C 56 66.384 66.384 63.709 2.675 17717 13355 1 14 . 1 1 56 56 VAL CB C 56 30.268 30.268 30.355 -0.087 17717 13356 1 14 . 1 1 56 56 VAL H H 56 8.280 8.280 7.945 0.335 17717 13357 1 14 . 1 1 57 57 SER N N 57 117.429 117.429 114.195 3.234 17717 13358 1 14 . 1 1 57 57 SER HA H 57 4.136 4.136 4.444 -0.308 17717 13359 1 14 . 1 1 57 57 SER CA C 57 61.100 61.100 59.794 1.306 17717 13360 1 14 . 1 1 57 57 SER CB C 57 62.800 62.800 63.952 -1.152 17717 13361 1 14 . 1 1 57 57 SER H H 57 7.850 7.850 8.365 -0.515 17717 13362 1 14 . 1 1 58 58 GLN N N 58 128.580 128.580 118.129 10.451 17717 13363 1 14 . 1 1 58 58 GLN HA H 58 4.260 4.260 4.420 -0.160 17717 13364 1 14 . 1 1 58 58 GLN CA C 58 56.642 56.642 56.637 0.005 17717 13365 1 14 . 1 1 58 58 GLN CB C 58 29.023 29.023 28.893 0.130 17717 13366 1 14 . 1 1 58 58 GLN H H 58 7.990 7.990 8.107 -0.117 17717 13367 1 14 . 1 1 59 59 LEU N N 59 122.210 122.210 120.272 1.938 17717 13368 1 14 . 1 1 59 59 LEU HA H 59 4.310 4.310 3.882 0.428 17717 13369 1 14 . 1 1 59 59 LEU CA C 59 55.300 55.300 58.660 -3.360 17717 13370 1 14 . 1 1 59 59 LEU CB C 59 41.160 41.160 40.881 0.279 17717 13371 1 14 . 1 1 59 59 LEU H H 59 8.050 8.050 8.083 -0.033 17717 13372 1 14 . 1 1 60 60 GLN N N 60 120.085 120.085 118.837 1.248 17717 13373 1 14 . 1 1 60 60 GLN HA H 60 4.222 4.222 4.157 0.065 17717 13374 1 14 . 1 1 60 60 GLN CA C 60 55.960 55.960 59.140 -3.180 17717 13375 1 14 . 1 1 60 60 GLN CB C 60 27.900 27.900 27.944 -0.044 17717 13376 1 14 . 1 1 60 60 GLN H H 60 8.210 8.210 8.576 -0.366 17717 13377 1 14 . 1 1 61 61 GLU N N 61 120.920 120.920 118.400 2.520 17717 13378 1 14 . 1 1 61 61 GLU HA H 61 4.216 4.216 3.990 0.226 17717 13379 1 14 . 1 1 61 61 GLU CA C 61 56.900 56.900 59.407 -2.507 17717 13380 1 14 . 1 1 61 61 GLU CB C 61 28.500 28.500 29.261 -0.761 17717 13381 1 14 . 1 1 61 61 GLU H H 61 8.590 8.590 8.660 -0.070 17717 13382 1 14 . 1 1 62 62 ARG N N 62 118.833 118.833 117.828 1.005 17717 13383 1 14 . 1 1 62 62 ARG HA H 62 4.161 4.161 4.207 -0.046 17717 13384 1 14 . 1 1 62 62 ARG CA C 62 58.030 58.030 58.031 -0.001 17717 13385 1 14 . 1 1 62 62 ARG CB C 62 29.400 29.400 30.281 -0.881 17717 13386 1 14 . 1 1 62 62 ARG H H 62 7.680 7.680 8.233 -0.553 17717 13387 1 14 . 1 1 63 63 LEU N N 63 118.790 118.790 120.715 -1.925 17717 13388 1 14 . 1 1 63 63 LEU HA H 63 4.100 4.100 4.056 0.044 17717 13389 1 14 . 1 1 63 63 LEU CA C 63 56.360 56.360 57.502 -1.143 17717 13390 1 14 . 1 1 63 63 LEU CB C 63 41.130 41.130 41.347 -0.217 17717 13391 1 14 . 1 1 63 63 LEU H H 63 8.320 8.320 7.753 0.567 17717 13392 1 14 . 1 1 64 64 GLY N N 64 104.679 104.679 108.076 -3.397 17717 13393 1 14 . 1 1 64 64 GLY CA C 64 44.145 44.145 48.051 -3.906 17717 13394 1 14 . 1 1 64 64 GLY H H 64 7.220 7.220 8.339 -1.119 17717 13395 1 14 . 1 1 65 65 PRO CA C 65 62.817 62.817 64.824 -2.007 17717 13396 1 14 . 1 1 65 65 PRO CB C 65 31.290 31.290 31.408 -0.118 17717 13397 1 14 . 1 1 66 66 LEU N N 66 124.866 124.866 120.846 4.020 17717 13398 1 14 . 1 1 66 66 LEU HA H 66 4.609 4.609 4.265 0.344 17717 13399 1 14 . 1 1 66 66 LEU CA C 66 52.900 52.900 58.650 -5.750 17717 13400 1 14 . 1 1 66 66 LEU CB C 66 43.200 43.200 40.987 2.213 17717 13401 1 14 . 1 1 66 66 LEU H H 66 8.550 8.550 7.983 0.567 17717 13402 1 14 . 1 1 67 67 THR N N 67 112.116 112.116 113.054 -0.938 17717 13403 1 14 . 1 1 67 67 THR HA H 67 4.824 4.824 4.451 0.373 17717 13404 1 14 . 1 1 67 67 THR CA C 67 59.240 59.240 66.077 -6.837 17717 13405 1 14 . 1 1 67 67 THR CB C 67 71.550 71.550 69.010 2.540 17717 13406 1 14 . 1 1 67 67 THR H H 67 7.650 7.650 7.878 -0.228 17717 13407 1 14 . 1 1 68 68 ARG N N 68 120.085 120.085 119.814 0.271 17717 13408 1 14 . 1 1 68 68 ARG HA H 68 4.230 4.230 4.004 0.226 17717 13409 1 14 . 1 1 68 68 ARG CA C 68 58.600 58.600 59.159 -0.559 17717 13410 1 14 . 1 1 68 68 ARG CB C 68 28.900 28.900 29.878 -0.978 17717 13411 1 14 . 1 1 68 68 ARG H H 68 8.950 8.950 7.533 1.417 17717 13412 1 14 . 1 1 69 69 ASP N N 69 116.366 116.366 120.060 -3.694 17717 13413 1 14 . 1 1 69 69 ASP HA H 69 4.249 4.249 4.375 -0.126 17717 13414 1 14 . 1 1 69 69 ASP CA C 69 56.100 56.100 58.402 -2.302 17717 13415 1 14 . 1 1 69 69 ASP CB C 69 39.550 39.550 40.723 -1.173 17717 13416 1 14 . 1 1 69 69 ASP H H 69 8.100 8.100 7.816 0.284 17717 13417 1 14 . 1 1 70 70 PHE N N 70 119.553 119.553 118.817 0.736 17717 13418 1 14 . 1 1 70 70 PHE HA H 70 4.090 4.090 3.860 0.230 17717 13419 1 14 . 1 1 70 70 PHE CA C 70 60.700 60.700 59.262 1.438 17717 13420 1 14 . 1 1 70 70 PHE CB C 70 38.100 38.100 37.648 0.452 17717 13421 1 14 . 1 1 70 70 PHE H H 70 7.420 7.420 7.229 0.191 17717 13422 1 14 . 1 1 71 71 TRP N N 71 120.085 120.085 122.514 -2.429 17717 13423 1 14 . 1 1 71 71 TRP HA H 71 4.044 4.044 3.265 0.779 17717 13424 1 14 . 1 1 71 71 TRP CA C 71 58.100 58.100 61.658 -3.558 17717 13425 1 14 . 1 1 71 71 TRP CB C 71 28.100 28.100 28.727 -0.627 17717 13426 1 14 . 1 1 71 71 TRP H H 71 6.950 6.950 7.105 -0.155 17717 13427 1 14 . 1 1 72 72 ASP N N 72 121.450 121.450 117.555 3.895 17717 13428 1 14 . 1 1 72 72 ASP HA H 72 4.310 4.310 3.389 0.921 17717 13429 1 14 . 1 1 72 72 ASP CA C 72 55.350 55.350 56.905 -1.555 17717 13430 1 14 . 1 1 72 72 ASP CB C 72 40.000 40.000 40.461 -0.461 17717 13431 1 14 . 1 1 72 72 ASP H H 72 8.350 8.350 7.754 0.596 17717 13432 1 14 . 1 1 73 73 ASN N N 73 117.200 117.200 118.394 -1.194 17717 13433 1 14 . 1 1 73 73 ASN HA H 73 4.220 4.220 4.361 -0.141 17717 13434 1 14 . 1 1 73 73 ASN CA C 73 54.500 54.500 56.604 -2.104 17717 13435 1 14 . 1 1 73 73 ASN CB C 73 40.000 40.000 38.875 1.125 17717 13436 1 14 . 1 1 73 73 ASN H H 73 7.700 7.700 7.644 0.056 17717 13437 1 14 . 1 1 74 74 LEU N N 74 123.600 123.600 120.000 3.600 17717 13438 1 14 . 1 1 74 74 LEU HA H 74 4.350 4.350 4.396 -0.046 17717 13439 1 14 . 1 1 74 74 LEU CA C 74 54.700 54.700 57.730 -3.030 17717 13440 1 14 . 1 1 74 74 LEU CB C 74 41.400 41.400 42.217 -0.817 17717 13441 1 14 . 1 1 74 74 LEU H H 74 8.330 8.330 8.413 -0.083 17717 13442 1 14 . 1 1 75 75 GLU N N 75 121.400 121.400 120.614 0.786 17717 13443 1 14 . 1 1 75 75 GLU HA H 75 4.000 4.000 3.794 0.206 17717 13444 1 14 . 1 1 75 75 GLU CA C 75 58.200 58.200 59.139 -0.939 17717 13445 1 14 . 1 1 75 75 GLU CB C 75 28.400 28.400 28.759 -0.359 17717 13446 1 14 . 1 1 75 75 GLU H H 75 8.600 8.600 8.229 0.371 17717 13447 1 14 . 1 1 76 76 LYS N N 76 118.000 118.000 118.810 -0.810 17717 13448 1 14 . 1 1 76 76 LYS HA H 76 4.117 4.117 4.125 -0.008 17717 13449 1 14 . 1 1 76 76 LYS CA C 76 58.400 58.400 58.817 -0.417 17717 13450 1 14 . 1 1 76 76 LYS CB C 76 32.480 32.480 32.485 -0.005 17717 13451 1 14 . 1 1 76 76 LYS H H 76 7.690 7.690 7.372 0.318 17717 13452 1 14 . 1 1 77 77 GLU N N 77 115.835 115.835 119.099 -3.264 17717 13453 1 14 . 1 1 77 77 GLU HA H 77 4.310 4.310 3.989 0.321 17717 13454 1 14 . 1 1 77 77 GLU CA C 77 54.785 54.785 60.177 -5.392 17717 13455 1 14 . 1 1 77 77 GLU CB C 77 28.355 28.355 29.435 -1.080 17717 13456 1 14 . 1 1 77 77 GLU H H 77 8.290 8.290 7.827 0.463 17717 13457 1 14 . 1 1 78 78 THR N N 78 120.300 120.300 112.343 7.957 17717 13458 1 14 . 1 1 78 78 THR HA H 78 4.410 4.410 3.910 0.500 17717 13459 1 14 . 1 1 78 78 THR CA C 78 68.100 68.100 66.449 1.651 17717 13460 1 14 . 1 1 78 78 THR CB C 78 69.451 69.451 68.670 0.781 17717 13461 1 14 . 1 1 78 78 THR H H 78 7.490 7.490 8.273 -0.783 17717 13462 1 14 . 1 1 79 79 ASP N N 79 120.085 120.085 121.815 -1.730 17717 13463 1 14 . 1 1 79 79 ASP HA H 79 4.480 4.480 4.368 0.112 17717 13464 1 14 . 1 1 79 79 ASP CA C 79 57.426 57.426 56.873 0.553 17717 13465 1 14 . 1 1 79 79 ASP CB C 79 39.240 39.240 40.570 -1.330 17717 13466 1 14 . 1 1 79 79 ASP H H 79 8.880 8.880 7.766 1.114 17717 13467 1 14 . 1 1 80 80 TRP N N 80 123.803 123.803 122.173 1.630 17717 13468 1 14 . 1 1 80 80 TRP HA H 80 4.280 4.280 4.354 -0.074 17717 13469 1 14 . 1 1 80 80 TRP CA C 80 60.660 60.660 61.617 -0.957 17717 13470 1 14 . 1 1 80 80 TRP CB C 80 27.000 27.000 30.393 -3.393 17717 13471 1 14 . 1 1 80 80 TRP H H 80 7.760 7.760 7.930 -0.170 17717 13472 1 14 . 1 1 81 81 VAL N N 81 118.790 118.790 117.156 1.634 17717 13473 1 14 . 1 1 81 81 VAL HA H 81 4.280 4.280 3.877 0.403 17717 13474 1 14 . 1 1 81 81 VAL CA C 81 61.200 61.200 66.325 -5.125 17717 13475 1 14 . 1 1 81 81 VAL CB C 81 29.900 29.900 31.725 -1.825 17717 13476 1 14 . 1 1 81 81 VAL H H 81 8.160 8.160 8.913 -0.753 17717 13477 1 14 . 1 1 82 82 ARG N N 82 119.190 119.190 119.730 -0.540 17717 13478 1 14 . 1 1 82 82 ARG HA H 82 4.480 4.480 4.013 0.467 17717 13479 1 14 . 1 1 82 82 ARG CA C 82 58.400 58.400 59.330 -0.930 17717 13480 1 14 . 1 1 82 82 ARG CB C 82 29.800 29.800 30.203 -0.403 17717 13481 1 14 . 1 1 82 82 ARG H H 82 7.100 7.100 8.510 -1.410 17717 13482 1 14 . 1 1 83 83 GLN N N 83 117.960 117.960 118.518 -0.558 17717 13483 1 14 . 1 1 83 83 GLN HA H 83 4.222 4.222 4.028 0.194 17717 13484 1 14 . 1 1 83 83 GLN CA C 83 55.600 55.600 58.382 -2.782 17717 13485 1 14 . 1 1 83 83 GLN CB C 83 28.550 28.550 28.326 0.224 17717 13486 1 14 . 1 1 83 83 GLN H H 83 8.050 8.050 7.722 0.328 17717 13487 1 14 . 1 1 84 84 GLU N N 84 119.022 119.022 118.979 0.043 17717 13488 1 14 . 1 1 84 84 GLU HA H 84 4.100 4.100 3.958 0.142 17717 13489 1 14 . 1 1 84 84 GLU CA C 84 57.300 57.300 58.346 -1.046 17717 13490 1 14 . 1 1 84 84 GLU CB C 84 28.600 28.600 29.086 -0.486 17717 13491 1 14 . 1 1 84 84 GLU H H 84 7.920 7.920 8.343 -0.423 17717 13492 1 14 . 1 1 85 85 MET N N 85 117.565 117.565 120.828 -3.263 17717 13493 1 14 . 1 1 85 85 MET HA H 85 4.265 4.265 4.013 0.252 17717 13494 1 14 . 1 1 85 85 MET CA C 85 55.020 55.020 58.428 -3.408 17717 13495 1 14 . 1 1 85 85 MET CB C 85 33.000 33.000 32.146 0.854 17717 13496 1 14 . 1 1 85 85 MET H H 85 8.230 8.230 7.603 0.627 17717 13497 1 14 . 1 1 86 86 ASN N N 86 119.022 119.022 115.975 3.047 17717 13498 1 14 . 1 1 86 86 ASN HA H 86 4.570 4.570 4.473 0.097 17717 13499 1 14 . 1 1 86 86 ASN CA C 86 56.000 56.000 56.146 -0.146 17717 13500 1 14 . 1 1 86 86 ASN CB C 86 37.700 37.700 38.684 -0.984 17717 13501 1 14 . 1 1 86 86 ASN H H 86 8.600 8.600 7.786 0.814 17717 13502 1 14 . 1 1 87 87 LYS N N 87 120.273 120.273 120.336 -0.063 17717 13503 1 14 . 1 1 87 87 LYS HA H 87 4.100 4.100 3.895 0.205 17717 13504 1 14 . 1 1 87 87 LYS CA C 87 59.000 59.000 59.681 -0.681 17717 13505 1 14 . 1 1 87 87 LYS CB C 87 30.900 30.900 32.194 -1.294 17717 13506 1 14 . 1 1 87 87 LYS H H 87 7.220 7.220 7.490 -0.270 17717 13507 1 14 . 1 1 88 88 ASP N N 88 121.147 121.147 118.932 2.215 17717 13508 1 14 . 1 1 88 88 ASP HA H 88 4.480 4.480 4.422 0.058 17717 13509 1 14 . 1 1 88 88 ASP CA C 88 56.840 56.840 57.157 -0.317 17717 13510 1 14 . 1 1 88 88 ASP CB C 88 39.450 39.450 40.572 -1.121 17717 13511 1 14 . 1 1 88 88 ASP H H 88 7.390 7.390 8.032 -0.642 17717 13512 1 14 . 1 1 89 89 LEU N N 89 122.741 122.741 120.174 2.567 17717 13513 1 14 . 1 1 89 89 LEU HA H 89 4.470 4.470 3.934 0.536 17717 13514 1 14 . 1 1 89 89 LEU CA C 89 57.000 57.000 58.613 -1.613 17717 13515 1 14 . 1 1 89 89 LEU CB C 89 41.000 41.000 42.248 -1.248 17717 13516 1 14 . 1 1 89 89 LEU H H 89 8.910 8.910 7.449 1.461 17717 13517 1 14 . 1 1 90 90 GLU N N 90 119.553 119.553 117.582 1.971 17717 13518 1 14 . 1 1 90 90 GLU HA H 90 4.050 4.050 4.141 -0.091 17717 13519 1 14 . 1 1 90 90 GLU CA C 90 59.100 59.100 58.560 0.539 17717 13520 1 14 . 1 1 90 90 GLU CB C 90 28.556 28.556 29.733 -1.177 17717 13521 1 14 . 1 1 90 90 GLU H H 90 8.260 8.260 7.748 0.512 17717 13522 1 14 . 1 1 91 91 GLU N N 91 119.190 119.190 120.186 -0.996 17717 13523 1 14 . 1 1 91 91 GLU HA H 91 4.136 4.136 4.142 -0.006 17717 13524 1 14 . 1 1 91 91 GLU CA C 91 58.600 58.600 59.272 -0.672 17717 13525 1 14 . 1 1 91 91 GLU CB C 91 28.600 28.600 29.996 -1.396 17717 13526 1 14 . 1 1 91 91 GLU H H 91 7.470 7.470 8.129 -0.659 17717 13527 1 14 . 1 1 92 92 VAL N N 92 122.230 122.230 115.811 6.419 17717 13528 1 14 . 1 1 92 92 VAL HA H 92 3.837 3.837 3.948 -0.111 17717 13529 1 14 . 1 1 92 92 VAL CA C 92 65.900 65.900 66.372 -0.472 17717 13530 1 14 . 1 1 92 92 VAL CB C 92 29.200 29.200 32.051 -2.851 17717 13531 1 14 . 1 1 92 92 VAL H H 92 8.420 8.420 8.270 0.150 17717 13532 1 14 . 1 1 93 93 LYS N N 93 121.300 121.300 118.366 2.934 17717 13533 1 14 . 1 1 93 93 LYS HA H 93 3.836 3.836 4.245 -0.409 17717 13534 1 14 . 1 1 93 93 LYS CA C 93 59.900 59.900 58.714 1.186 17717 13535 1 14 . 1 1 93 93 LYS CB C 93 31.277 31.277 31.993 -0.716 17717 13536 1 14 . 1 1 93 93 LYS H H 93 9.000 9.000 7.669 1.331 17717 13537 1 14 . 1 1 94 94 GLN N N 94 116.900 116.900 115.889 1.011 17717 13538 1 14 . 1 1 94 94 GLN HA H 94 4.094 4.094 4.349 -0.255 17717 13539 1 14 . 1 1 94 94 GLN CA C 94 57.731 57.731 57.589 0.142 17717 13540 1 14 . 1 1 94 94 GLN CB C 94 27.700 27.700 28.633 -0.933 17717 13541 1 14 . 1 1 94 94 GLN H H 94 7.320 7.320 7.682 -0.362 17717 13542 1 14 . 1 1 95 95 LYS N N 95 119.190 119.190 119.422 -0.232 17717 13543 1 14 . 1 1 95 95 LYS HA H 95 4.137 4.137 4.205 -0.068 17717 13544 1 14 . 1 1 95 95 LYS CA C 95 57.700 57.700 58.423 -0.723 17717 13545 1 14 . 1 1 95 95 LYS CB C 95 31.800 31.800 33.243 -1.443 17717 13546 1 14 . 1 1 95 95 LYS H H 95 7.590 7.590 7.693 -0.103 17717 13547 1 14 . 1 1 96 96 VAL N N 96 111.000 111.000 115.911 -4.911 17717 13548 1 14 . 1 1 96 96 VAL HA H 96 4.138 4.138 3.951 0.187 17717 13549 1 14 . 1 1 96 96 VAL CA C 96 61.600 61.600 65.339 -3.739 17717 13550 1 14 . 1 1 96 96 VAL CB C 96 31.500 31.500 31.804 -0.304 17717 13551 1 14 . 1 1 96 96 VAL H H 96 7.960 7.960 7.625 0.336 17717 13552 1 14 . 1 1 97 97 GLN N N 97 122.210 122.210 121.007 1.203 17717 13553 1 14 . 1 1 97 97 GLN HA H 97 4.030 4.030 4.002 0.028 17717 13554 1 14 . 1 1 97 97 GLN CA C 97 59.226 59.226 58.879 0.347 17717 13555 1 14 . 1 1 97 97 GLN CB C 97 24.578 24.578 26.826 -2.248 17717 13556 1 14 . 1 1 97 97 GLN H H 97 7.380 7.380 8.067 -0.687 17717 13557 1 14 . 1 1 98 98 PRO CA C 98 65.400 65.400 63.094 2.306 17717 13558 1 14 . 1 1 98 98 PRO CB C 98 30.336 30.336 31.927 -1.591 17717 13559 1 14 . 1 1 99 99 TYR N N 99 116.900 116.900 114.209 2.691 17717 13560 1 14 . 1 1 99 99 TYR HA H 99 4.480 4.480 4.159 0.321 17717 13561 1 14 . 1 1 99 99 TYR CA C 99 58.446 58.446 58.035 0.411 17717 13562 1 14 . 1 1 99 99 TYR CB C 99 36.344 36.344 34.947 1.397 17717 13563 1 14 . 1 1 99 99 TYR H H 99 7.100 7.100 7.255 -0.155 17717 13564 1 14 . 1 1 100 100 LEU N N 100 123.270 123.270 122.008 1.262 17717 13565 1 14 . 1 1 100 100 LEU HA H 100 3.964 3.964 4.618 -0.654 17717 13566 1 14 . 1 1 100 100 LEU CA C 100 57.300 57.300 52.814 4.486 17717 13567 1 14 . 1 1 100 100 LEU CB C 100 40.950 40.950 44.969 -4.019 17717 13568 1 14 . 1 1 100 100 LEU H H 100 7.500 7.500 7.613 -0.113 17717 13569 1 14 . 1 1 101 101 ASP N N 101 119.500 119.500 117.538 1.962 17717 13570 1 14 . 1 1 101 101 ASP HA H 101 3.810 3.810 4.636 -0.826 17717 13571 1 14 . 1 1 101 101 ASP CA C 101 58.200 58.200 53.654 4.546 17717 13572 1 14 . 1 1 101 101 ASP CB C 101 39.100 39.100 40.117 -1.017 17717 13573 1 14 . 1 1 101 101 ASP H H 101 8.450 8.450 8.436 0.014 17717 13574 1 14 . 1 1 102 102 GLU N N 102 121.221 121.221 120.435 0.786 17717 13575 1 14 . 1 1 102 102 GLU HA H 102 4.222 4.222 3.946 0.276 17717 13576 1 14 . 1 1 102 102 GLU CA C 102 59.200 59.200 58.778 0.422 17717 13577 1 14 . 1 1 102 102 GLU CB C 102 31.100 31.100 28.434 2.666 17717 13578 1 14 . 1 1 102 102 GLU H H 102 8.190 8.190 8.448 -0.258 17717 13579 1 14 . 1 1 103 103 PHE N N 103 124.065 124.065 120.922 3.143 17717 13580 1 14 . 1 1 103 103 PHE HA H 103 4.520 4.520 4.176 0.344 17717 13581 1 14 . 1 1 103 103 PHE CA C 103 57.183 57.183 61.122 -3.939 17717 13582 1 14 . 1 1 103 103 PHE CB C 103 38.608 38.608 37.377 1.231 17717 13583 1 14 . 1 1 103 103 PHE H H 103 8.170 8.170 7.281 0.889 17717 13584 1 14 . 1 1 104 104 GLN N N 104 123.272 123.272 118.650 4.622 17717 13585 1 14 . 1 1 104 104 GLN HA H 104 4.222 4.222 4.044 0.178 17717 13586 1 14 . 1 1 104 104 GLN CA C 104 55.460 55.460 58.936 -3.476 17717 13587 1 14 . 1 1 104 104 GLN CB C 104 29.200 29.200 28.218 0.982 17717 13588 1 14 . 1 1 104 104 GLN H H 104 8.030 8.030 8.677 -0.647 17717 13589 1 14 . 1 1 105 105 LYS N N 105 119.600 119.600 120.798 -1.198 17717 13590 1 14 . 1 1 105 105 LYS HA H 105 4.136 4.136 4.006 0.130 17717 13591 1 14 . 1 1 105 105 LYS CA C 105 57.830 57.830 60.032 -2.202 17717 13592 1 14 . 1 1 105 105 LYS CB C 105 32.220 32.220 32.396 -0.176 17717 13593 1 14 . 1 1 105 105 LYS H H 105 7.800 7.800 7.894 -0.094 17717 13594 1 14 . 1 1 106 106 LYS N N 106 117.960 117.960 120.276 -2.316 17717 13595 1 14 . 1 1 106 106 LYS HA H 106 4.093 4.093 4.099 -0.006 17717 13596 1 14 . 1 1 106 106 LYS CA C 106 57.860 57.860 59.059 -1.199 17717 13597 1 14 . 1 1 106 106 LYS CB C 106 32.080 32.080 31.952 0.128 17717 13598 1 14 . 1 1 106 106 LYS H H 106 7.740 7.740 8.001 -0.261 17717 13599 1 14 . 1 1 107 107 TRP N N 107 119.320 119.320 119.773 -0.453 17717 13600 1 14 . 1 1 107 107 TRP HA H 107 4.310 4.310 4.353 -0.043 17717 13601 1 14 . 1 1 107 107 TRP CA C 107 54.900 54.900 59.913 -5.013 17717 13602 1 14 . 1 1 107 107 TRP CB C 107 28.400 28.400 29.562 -1.162 17717 13603 1 14 . 1 1 107 107 TRP H H 107 8.390 8.390 7.722 0.668 17717 13604 1 14 . 1 1 108 108 LYS N N 108 120.390 120.390 120.110 0.280 17717 13605 1 14 . 1 1 108 108 LYS HA H 108 4.350 4.350 3.781 0.569 17717 13606 1 14 . 1 1 108 108 LYS CA C 108 58.170 58.170 58.688 -0.518 17717 13607 1 14 . 1 1 108 108 LYS CB C 108 30.250 30.250 32.257 -2.007 17717 13608 1 14 . 1 1 108 108 LYS H H 108 7.420 7.420 7.690 -0.270 17717 13609 1 14 . 1 1 109 109 GLU N N 109 120.220 120.220 120.752 -0.532 17717 13610 1 14 . 1 1 109 109 GLU HA H 109 3.922 3.922 3.969 -0.047 17717 13611 1 14 . 1 1 109 109 GLU CA C 109 58.230 58.230 59.713 -1.483 17717 13612 1 14 . 1 1 109 109 GLU CB C 109 29.230 29.230 29.882 -0.652 17717 13613 1 14 . 1 1 109 109 GLU H H 109 7.800 7.800 7.595 0.205 17717 13614 1 14 . 1 1 110 110 ASP N N 110 121.678 121.678 119.760 1.918 17717 13615 1 14 . 1 1 110 110 ASP HA H 110 4.096 4.096 4.186 -0.090 17717 13616 1 14 . 1 1 110 110 ASP CA C 110 57.514 57.514 57.190 0.324 17717 13617 1 14 . 1 1 110 110 ASP CB C 110 40.005 40.005 40.547 -0.542 17717 13618 1 14 . 1 1 110 110 ASP H H 110 8.220 8.220 8.248 -0.028 17717 13619 1 14 . 1 1 111 111 VAL N N 111 123.537 123.537 117.827 5.710 17717 13620 1 14 . 1 1 111 111 VAL CA C 111 66.380 66.380 66.273 0.107 17717 13621 1 14 . 1 1 111 111 VAL CB C 111 30.800 30.800 31.024 -0.224 17717 13622 1 14 . 1 1 111 111 VAL H H 111 9.170 9.170 7.180 1.990 17717 13623 1 14 . 1 1 112 112 GLU N N 112 120.200 120.200 120.756 -0.556 17717 13624 1 14 . 1 1 112 112 GLU HA H 112 4.179 4.179 3.991 0.188 17717 13625 1 14 . 1 1 112 112 GLU CA C 112 58.431 58.431 59.441 -1.010 17717 13626 1 14 . 1 1 112 112 GLU CB C 112 27.878 27.878 29.286 -1.408 17717 13627 1 14 . 1 1 112 112 GLU H H 112 7.540 7.540 7.212 0.328 17717 13628 1 14 . 1 1 113 113 LEU N N 113 120.815 120.815 118.597 2.218 17717 13629 1 14 . 1 1 113 113 LEU HA H 113 4.439 4.439 3.834 0.605 17717 13630 1 14 . 1 1 113 113 LEU CA C 113 53.800 53.800 57.727 -3.927 17717 13631 1 14 . 1 1 113 113 LEU CB C 113 41.060 41.060 40.788 0.272 17717 13632 1 14 . 1 1 113 113 LEU H H 113 7.900 7.900 7.343 0.557 17717 13633 1 14 . 1 1 114 114 TYR N N 114 120.920 120.920 120.333 0.587 17717 13634 1 14 . 1 1 114 114 TYR HA H 114 4.520 4.520 3.925 0.595 17717 13635 1 14 . 1 1 114 114 TYR CA C 114 56.942 56.942 61.797 -4.855 17717 13636 1 14 . 1 1 114 114 TYR CB C 114 37.834 37.834 38.427 -0.593 17717 13637 1 14 . 1 1 114 114 TYR H H 114 8.370 8.370 8.178 0.192 17717 13638 1 14 . 1 1 115 115 ARG N N 115 118.260 118.260 117.518 0.742 17717 13639 1 14 . 1 1 115 115 ARG HA H 115 4.820 4.820 3.646 1.174 17717 13640 1 14 . 1 1 115 115 ARG CA C 115 55.700 55.700 59.705 -4.005 17717 13641 1 14 . 1 1 115 115 ARG CB C 115 30.600 30.600 29.720 0.880 17717 13642 1 14 . 1 1 115 115 ARG H H 115 7.630 7.630 7.808 -0.178 17717 13643 1 14 . 1 1 116 116 GLN N N 116 116.670 116.670 117.145 -0.475 17717 13644 1 14 . 1 1 116 116 GLN HA H 116 4.480 4.480 3.996 0.484 17717 13645 1 14 . 1 1 116 116 GLN CA C 116 57.100 57.100 58.227 -1.127 17717 13646 1 14 . 1 1 116 116 GLN CB C 116 28.060 28.060 28.142 -0.082 17717 13647 1 14 . 1 1 116 116 GLN H H 116 7.980 7.980 7.294 0.686 17717 13648 1 14 . 1 1 117 117 LYS N N 117 119.200 119.200 119.911 -0.711 17717 13649 1 14 . 1 1 117 117 LYS HA H 117 4.211 4.211 3.715 0.496 17717 13650 1 14 . 1 1 117 117 LYS CA C 117 56.700 56.700 58.320 -1.620 17717 13651 1 14 . 1 1 117 117 LYS CB C 117 32.100 32.100 31.456 0.643 17717 13652 1 14 . 1 1 117 117 LYS H H 117 7.780 7.780 7.414 0.366 17717 13653 1 14 . 1 1 118 118 ALA N N 118 122.740 122.740 120.016 2.724 17717 13654 1 14 . 1 1 118 118 ALA HA H 118 4.179 4.179 3.786 0.393 17717 13655 1 14 . 1 1 118 118 ALA CA C 118 52.100 52.100 53.390 -1.290 17717 13656 1 14 . 1 1 118 118 ALA CB C 118 18.100 18.100 18.558 -0.458 17717 13657 1 14 . 1 1 118 118 ALA H H 118 8.100 8.100 8.025 0.075 17717 13658 1 14 . 1 1 119 119 SER N N 119 115.840 115.840 113.071 2.769 17717 13659 1 14 . 1 1 119 119 SER HA H 119 4.210 4.210 4.797 -0.587 17717 13660 1 14 . 1 1 119 119 SER CA C 119 55.900 55.900 53.887 2.013 17717 13661 1 14 . 1 1 119 119 SER CB C 119 62.900 62.900 63.573 -0.673 17717 13662 1 14 . 1 1 119 119 SER H H 119 7.800 7.800 7.330 0.470 17717 13663 1 14 . 1 1 120 120 PRO CA C 120 63.074 63.074 63.073 0.001 17717 13664 1 14 . 1 1 120 120 PRO CB C 120 31.408 31.408 32.333 -0.925 17717 13665 1 14 . 1 1 121 121 GLN N N 121 120.800 120.800 127.114 -6.314 17717 13666 1 14 . 1 1 121 121 GLN HA H 121 4.350 4.350 4.042 0.308 17717 13667 1 14 . 1 1 121 121 GLN CA C 121 55.800 55.800 58.916 -3.116 17717 13668 1 14 . 1 1 121 121 GLN CB C 121 28.300 28.300 27.731 0.569 17717 13669 1 14 . 1 1 121 121 GLN H H 121 8.450 8.450 8.771 -0.321 17717 13670 1 14 . 1 1 122 122 GLY N N 122 109.991 109.991 107.167 2.824 17717 13671 1 14 . 1 1 122 122 GLY CA C 122 44.500 44.500 46.382 -1.882 17717 13672 1 14 . 1 1 122 122 GLY H H 122 8.380 8.380 8.847 -0.467 17717 13673 1 14 . 1 1 123 123 ALA N N 123 124.866 124.866 125.010 -0.144 17717 13674 1 14 . 1 1 123 123 ALA HA H 123 4.280 4.280 4.457 -0.177 17717 13675 1 14 . 1 1 123 123 ALA CA C 123 52.440 52.440 55.164 -2.724 17717 13676 1 14 . 1 1 123 123 ALA CB C 123 18.530 18.530 18.693 -0.163 17717 13677 1 14 . 1 1 123 123 ALA H H 123 8.200 8.200 7.909 0.291 17717 13678 1 14 . 1 1 124 124 GLU N N 124 120.000 120.000 117.957 2.043 17717 13679 1 14 . 1 1 124 124 GLU HA H 124 4.265 4.265 4.153 0.112 17717 13680 1 14 . 1 1 124 124 GLU CA C 124 56.533 56.533 58.047 -1.514 17717 13681 1 14 . 1 1 124 124 GLU CB C 124 29.150 29.150 29.227 -0.077 17717 13682 1 14 . 1 1 124 124 GLU H H 124 8.510 8.510 8.002 0.508 17717 13683 1 14 . 1 1 125 125 LEU N N 125 122.740 122.740 123.786 -1.046 17717 13684 1 14 . 1 1 125 125 LEU HA H 125 4.222 4.222 4.055 0.167 17717 13685 1 14 . 1 1 125 125 LEU CA C 125 55.600 55.600 58.108 -2.508 17717 13686 1 14 . 1 1 125 125 LEU CB C 125 41.500 41.500 41.824 -0.324 17717 13687 1 14 . 1 1 125 125 LEU H H 125 8.110 8.110 8.398 -0.288 17717 13688 1 14 . 1 1 126 126 GLN N N 126 120.616 120.616 116.376 4.240 17717 13689 1 14 . 1 1 126 126 GLN HA H 126 4.140 4.140 4.064 0.076 17717 13690 1 14 . 1 1 126 126 GLN CA C 126 56.600 56.600 58.502 -1.903 17717 13691 1 14 . 1 1 126 126 GLN CB C 126 28.200 28.200 28.306 -0.106 17717 13692 1 14 . 1 1 126 126 GLN H H 126 8.190 8.190 8.190 -0.000 17717 13693 1 14 . 1 1 127 127 GLU N N 127 121.221 121.221 120.170 1.051 17717 13694 1 14 . 1 1 127 127 GLU HA H 127 4.480 4.480 4.080 0.400 17717 13695 1 14 . 1 1 127 127 GLU CA C 127 57.800 57.800 59.635 -1.835 17717 13696 1 14 . 1 1 127 127 GLU CB C 127 28.000 28.000 29.683 -1.683 17717 13697 1 14 . 1 1 127 127 GLU H H 127 8.130 8.130 7.851 0.279 17717 13698 1 14 . 1 1 128 128 SER N N 128 117.960 117.960 114.773 3.187 17717 13699 1 14 . 1 1 128 128 SER HA H 128 4.140 4.140 4.657 -0.517 17717 13700 1 14 . 1 1 128 128 SER CA C 128 57.800 57.800 60.478 -2.678 17717 13701 1 14 . 1 1 128 128 SER CB C 128 63.860 63.860 63.528 0.332 17717 13702 1 14 . 1 1 128 128 SER H H 128 8.580 8.580 8.431 0.149 17717 13703 1 14 . 1 1 129 129 ALA N N 129 132.300 132.300 123.608 8.692 17717 13704 1 14 . 1 1 129 129 ALA CA C 129 53.505 53.505 54.368 -0.863 17717 13705 1 14 . 1 1 129 129 ALA CB C 129 18.600 18.600 19.003 -0.403 17717 13706 1 14 . 1 1 129 129 ALA H H 129 7.980 7.980 8.022 -0.042 17717 13707 1 14 . 1 1 130 130 ARG N N 130 119.553 119.553 115.288 4.265 17717 13708 1 14 . 1 1 130 130 ARG HA H 130 4.274 4.274 4.448 -0.174 17717 13709 1 14 . 1 1 130 130 ARG CA C 130 55.300 55.300 56.583 -1.283 17717 13710 1 14 . 1 1 130 130 ARG CB C 130 31.600 31.600 31.921 -0.321 17717 13711 1 14 . 1 1 130 130 ARG H H 130 8.150 8.150 7.500 0.650 17717 13712 1 14 . 1 1 131 131 GLN N N 131 117.960 117.960 118.396 -0.436 17717 13713 1 14 . 1 1 131 131 GLN HA H 131 4.350 4.350 3.924 0.426 17717 13714 1 14 . 1 1 131 131 GLN CA C 131 56.066 56.066 58.191 -2.125 17717 13715 1 14 . 1 1 131 131 GLN CB C 131 29.000 29.000 27.585 1.415 17717 13716 1 14 . 1 1 131 131 GLN H H 131 7.880 7.880 8.623 -0.743 17717 13717 1 14 . 1 1 132 132 LYS N N 132 121.357 121.357 116.571 4.786 17717 13718 1 14 . 1 1 132 132 LYS HA H 132 4.136 4.136 3.849 0.287 17717 13719 1 14 . 1 1 132 132 LYS CA C 132 56.800 56.800 57.782 -0.982 17717 13720 1 14 . 1 1 132 132 LYS CB C 132 31.100 31.100 30.707 0.393 17717 13721 1 14 . 1 1 132 132 LYS H H 132 7.892 7.892 8.231 -0.339 17717 13722 1 14 . 1 1 133 133 LEU N N 133 120.620 120.620 118.503 2.117 17717 13723 1 14 . 1 1 133 133 LEU HA H 133 4.480 4.480 4.554 -0.074 17717 13724 1 14 . 1 1 133 133 LEU CA C 133 53.900 53.900 55.226 -1.326 17717 13725 1 14 . 1 1 133 133 LEU CB C 133 41.230 41.230 42.271 -1.041 17717 13726 1 14 . 1 1 133 133 LEU H H 133 8.320 8.320 7.916 0.404 17717 13727 1 14 . 1 1 134 134 GLN N N 134 121.147 121.147 115.996 5.151 17717 13728 1 14 . 1 1 134 134 GLN HA H 134 4.222 4.222 4.298 -0.076 17717 13729 1 14 . 1 1 134 134 GLN CA C 134 56.146 56.146 56.400 -0.254 17717 13730 1 14 . 1 1 134 134 GLN CB C 134 31.813 31.813 28.782 3.031 17717 13731 1 14 . 1 1 134 134 GLN H H 134 7.870 7.870 8.249 -0.379 17717 13732 1 14 . 1 1 135 135 GLU N N 135 121.678 121.678 120.246 1.432 17717 13733 1 14 . 1 1 135 135 GLU HA H 135 4.136 4.136 4.467 -0.331 17717 13734 1 14 . 1 1 135 135 GLU CA C 135 55.904 55.904 57.265 -1.361 17717 13735 1 14 . 1 1 135 135 GLU CB C 135 28.953 28.953 30.509 -1.556 17717 13736 1 14 . 1 1 135 135 GLU H H 135 7.892 7.892 8.290 -0.398 17717 13737 1 14 . 1 1 136 136 LEU N N 136 121.357 121.357 117.253 4.104 17717 13738 1 14 . 1 1 136 136 LEU HA H 136 4.351 4.351 4.311 0.040 17717 13739 1 14 . 1 1 136 136 LEU CA C 136 54.765 54.765 54.776 -0.011 17717 13740 1 14 . 1 1 136 136 LEU CB C 136 41.823 41.823 42.991 -1.168 17717 13741 1 14 . 1 1 136 136 LEU H H 136 7.962 7.962 7.741 0.221 17717 13742 1 14 . 1 1 137 137 GLN N N 137 124.866 124.866 118.011 6.855 17717 13743 1 14 . 1 1 137 137 GLN HA H 137 4.222 4.222 4.130 0.092 17717 13744 1 14 . 1 1 137 137 GLN CA C 137 56.300 56.300 56.426 -0.126 17717 13745 1 14 . 1 1 137 137 GLN CB C 137 28.000 28.000 28.872 -0.872 17717 13746 1 14 . 1 1 137 137 GLN H H 137 7.938 7.938 7.941 -0.003 17717 13747 1 14 . 1 1 138 138 GLY N N 138 111.054 111.054 108.235 2.819 17717 13748 1 14 . 1 1 138 138 GLY CA C 138 44.800 44.800 45.514 -0.714 17717 13749 1 14 . 1 1 138 138 GLY H H 138 8.410 8.410 8.412 -0.002 17717 13750 1 14 . 1 1 139 139 ARG N N 139 116.366 116.366 120.425 -4.059 17717 13751 1 14 . 1 1 139 139 ARG HA H 139 4.230 4.230 4.470 -0.240 17717 13752 1 14 . 1 1 139 139 ARG CA C 139 56.300 56.300 55.763 0.537 17717 13753 1 14 . 1 1 139 139 ARG CB C 139 28.700 28.700 31.511 -2.811 17717 13754 1 14 . 1 1 139 139 ARG H H 139 8.080 8.080 7.995 0.085 17717 13755 1 14 . 1 1 140 140 LEU N N 140 126.460 126.460 121.640 4.820 17717 13756 1 14 . 1 1 140 140 LEU HA H 140 4.220 4.220 4.004 0.216 17717 13757 1 14 . 1 1 140 140 LEU CA C 140 56.500 56.500 54.675 1.825 17717 13758 1 14 . 1 1 140 140 LEU CB C 140 41.496 41.496 40.673 0.823 17717 13759 1 14 . 1 1 140 140 LEU H H 140 7.740 7.740 8.228 -0.488 17717 13760 1 14 . 1 1 141 141 SER N N 141 119.190 119.190 113.805 5.385 17717 13761 1 14 . 1 1 141 141 SER HA H 141 4.390 4.390 4.245 0.145 17717 13762 1 14 . 1 1 141 141 SER CA C 141 56.384 56.384 59.056 -2.672 17717 13763 1 14 . 1 1 141 141 SER CB C 141 62.996 62.996 63.449 -0.453 17717 13764 1 14 . 1 1 141 141 SER H H 141 8.430 8.430 8.115 0.315 17717 13765 1 14 . 1 1 142 142 PRO CA C 142 64.840 64.840 64.626 0.214 17717 13766 1 14 . 1 1 142 142 PRO CB C 142 31.345 31.345 31.742 -0.397 17717 13767 1 14 . 1 1 143 143 VAL N N 143 116.900 116.900 117.366 -0.466 17717 13768 1 14 . 1 1 143 143 VAL HA H 143 4.100 4.100 3.953 0.147 17717 13769 1 14 . 1 1 143 143 VAL CA C 143 63.800 63.800 63.889 -0.089 17717 13770 1 14 . 1 1 143 143 VAL CB C 143 31.400 31.400 30.278 1.122 17717 13771 1 14 . 1 1 143 143 VAL H H 143 7.780 7.780 7.722 0.058 17717 13772 1 14 . 1 1 144 144 ALA N N 144 125.700 125.700 121.889 3.811 17717 13773 1 14 . 1 1 144 144 ALA HA H 144 4.390 4.390 4.090 0.300 17717 13774 1 14 . 1 1 144 144 ALA CA C 144 54.200 54.200 55.187 -0.987 17717 13775 1 14 . 1 1 144 144 ALA CB C 144 18.361 18.361 18.143 0.218 17717 13776 1 14 . 1 1 144 144 ALA H H 144 7.970 7.970 7.736 0.234 17717 13777 1 14 . 1 1 145 145 GLU N N 145 120.000 120.000 118.612 1.388 17717 13778 1 14 . 1 1 145 145 GLU HA H 145 3.920 3.920 3.997 -0.077 17717 13779 1 14 . 1 1 145 145 GLU CA C 145 59.400 59.400 59.567 -0.167 17717 13780 1 14 . 1 1 145 145 GLU CB C 145 28.400 28.400 28.834 -0.434 17717 13781 1 14 . 1 1 145 145 GLU H H 145 8.600 8.600 7.746 0.854 17717 13782 1 14 . 1 1 146 146 GLU N N 146 119.022 119.022 118.991 0.031 17717 13783 1 14 . 1 1 146 146 GLU HA H 146 4.050 4.050 4.103 -0.053 17717 13784 1 14 . 1 1 146 146 GLU CA C 146 58.422 58.422 58.555 -0.133 17717 13785 1 14 . 1 1 146 146 GLU CB C 146 28.172 28.172 28.719 -0.547 17717 13786 1 14 . 1 1 146 146 GLU H H 146 8.070 8.070 7.853 0.217 17717 13787 1 14 . 1 1 147 147 PHE N N 147 117.023 117.023 120.859 -3.836 17717 13788 1 14 . 1 1 147 147 PHE HA H 147 4.523 4.523 4.193 0.330 17717 13789 1 14 . 1 1 147 147 PHE CA C 147 58.592 58.592 61.070 -2.478 17717 13790 1 14 . 1 1 147 147 PHE CB C 147 40.344 40.344 39.053 1.291 17717 13791 1 14 . 1 1 147 147 PHE H H 147 8.161 8.161 7.940 0.221 17717 13792 1 14 . 1 1 148 148 ARG N N 148 120.085 120.085 119.467 0.618 17717 13793 1 14 . 1 1 148 148 ARG HA H 148 4.136 4.136 3.981 0.155 17717 13794 1 14 . 1 1 148 148 ARG CA C 148 57.700 57.700 59.647 -1.947 17717 13795 1 14 . 1 1 148 148 ARG CB C 148 30.400 30.400 29.936 0.464 17717 13796 1 14 . 1 1 148 148 ARG H H 148 8.325 8.325 8.662 -0.337 17717 13797 1 14 . 1 1 149 149 ASP N N 149 118.530 118.530 118.202 0.328 17717 13798 1 14 . 1 1 149 149 ASP HA H 149 4.310 4.310 4.532 -0.222 17717 13799 1 14 . 1 1 149 149 ASP CA C 149 54.600 54.600 56.823 -2.223 17717 13800 1 14 . 1 1 149 149 ASP CB C 149 41.000 41.000 41.118 -0.118 17717 13801 1 14 . 1 1 149 149 ASP H H 149 8.270 8.270 8.032 0.238 17717 13802 1 14 . 1 1 150 150 ARG N N 150 126.460 126.460 120.020 6.440 17717 13803 1 14 . 1 1 150 150 ARG HA H 150 4.180 4.180 4.065 0.115 17717 13804 1 14 . 1 1 150 150 ARG CA C 150 56.850 56.850 59.001 -2.151 17717 13805 1 14 . 1 1 150 150 ARG CB C 150 30.451 30.451 30.052 0.399 17717 13806 1 14 . 1 1 150 150 ARG H H 150 7.860 7.860 8.062 -0.202 17717 13807 1 14 . 1 1 152 152 ARG CA C 152 55.764 55.764 59.755 -3.991 17717 13808 1 14 . 1 1 152 152 ARG CB C 152 30.014 30.014 30.024 -0.010 17717 13809 1 14 . 1 1 153 153 THR N N 153 115.832 115.832 114.711 1.121 17717 13810 1 14 . 1 1 153 153 THR HA H 153 4.350 4.350 4.003 0.347 17717 13811 1 14 . 1 1 153 153 THR CA C 153 61.200 61.200 66.911 -5.711 17717 13812 1 14 . 1 1 153 153 THR CB C 153 69.400 69.400 68.456 0.944 17717 13813 1 14 . 1 1 153 153 THR H H 153 8.170 8.170 7.926 0.244 17717 13814 1 14 . 1 1 154 154 HIS N N 154 129.120 129.120 122.795 6.325 17717 13815 1 14 . 1 1 154 154 HIS HA H 154 4.650 4.650 4.185 0.465 17717 13816 1 14 . 1 1 154 154 HIS CA C 154 56.800 56.800 58.982 -2.182 17717 13817 1 14 . 1 1 154 154 HIS CB C 154 30.400 30.400 29.422 0.978 17717 13818 1 14 . 1 1 154 154 HIS H H 154 7.950 7.950 8.323 -0.373 17717 13819 1 14 . 1 1 155 155 VAL N N 155 120.620 120.620 117.750 2.870 17717 13820 1 14 . 1 1 155 155 VAL HA H 155 4.012 4.012 3.407 0.605 17717 13821 1 14 . 1 1 155 155 VAL CA C 155 62.300 62.300 65.773 -3.473 17717 13822 1 14 . 1 1 155 155 VAL CB C 155 31.600 31.600 30.523 1.077 17717 13823 1 14 . 1 1 155 155 VAL H H 155 7.910 7.910 7.290 0.620 17717 13824 1 14 . 1 1 156 156 ASP N N 156 121.147 121.147 120.828 0.319 17717 13825 1 14 . 1 1 156 156 ASP HA H 156 4.440 4.440 4.315 0.125 17717 13826 1 14 . 1 1 156 156 ASP CA C 156 57.384 57.384 57.522 -0.138 17717 13827 1 14 . 1 1 156 156 ASP CB C 156 40.140 40.140 40.892 -0.752 17717 13828 1 14 . 1 1 156 156 ASP H H 156 8.100 8.100 8.473 -0.373 17717 13829 1 14 . 1 1 157 157 SER N N 157 116.366 116.366 116.641 -0.275 17717 13830 1 14 . 1 1 157 157 SER HA H 157 4.220 4.220 4.123 0.097 17717 13831 1 14 . 1 1 157 157 SER CA C 157 61.500 61.500 61.748 -0.248 17717 13832 1 14 . 1 1 157 157 SER CB C 157 62.500 62.500 63.303 -0.803 17717 13833 1 14 . 1 1 157 157 SER H H 157 8.700 8.700 7.958 0.742 17717 13834 1 14 . 1 1 158 158 LEU N N 158 123.272 123.272 122.305 0.967 17717 13835 1 14 . 1 1 158 158 LEU HA H 158 4.520 4.520 4.298 0.222 17717 13836 1 14 . 1 1 158 158 LEU CA C 158 57.140 57.140 58.331 -1.191 17717 13837 1 14 . 1 1 158 158 LEU CB C 158 40.900 40.900 42.046 -1.146 17717 13838 1 14 . 1 1 158 158 LEU H H 158 7.790 7.790 7.790 -0.000 17717 13839 1 14 . 1 1 159 159 ARG N N 159 119.553 119.553 116.193 3.360 17717 13840 1 14 . 1 1 159 159 ARG HA H 159 4.530 4.530 4.154 0.376 17717 13841 1 14 . 1 1 159 159 ARG CA C 159 56.800 56.800 58.828 -2.028 17717 13842 1 14 . 1 1 159 159 ARG CB C 159 29.000 29.000 30.080 -1.080 17717 13843 1 14 . 1 1 159 159 ARG H H 159 8.650 8.650 8.123 0.527 17717 13844 1 14 . 1 1 160 160 THR N N 160 115.304 115.304 115.092 0.212 17717 13845 1 14 . 1 1 160 160 THR HA H 160 3.880 3.880 4.076 -0.196 17717 13846 1 14 . 1 1 160 160 THR CA C 160 65.300 65.300 66.273 -0.973 17717 13847 1 14 . 1 1 160 160 THR CB C 160 68.900 68.900 68.593 0.307 17717 13848 1 14 . 1 1 160 160 THR H H 160 8.100 8.100 7.500 0.600 17717 13849 1 14 . 1 1 161 161 GLN N N 161 122.440 122.440 118.685 3.755 17717 13850 1 14 . 1 1 161 161 GLN HA H 161 4.220 4.220 4.305 -0.085 17717 13851 1 14 . 1 1 161 161 GLN CA C 161 56.900 56.900 57.983 -1.083 17717 13852 1 14 . 1 1 161 161 GLN CB C 161 26.160 26.160 28.895 -2.736 17717 13853 1 14 . 1 1 161 161 GLN H H 161 8.070 8.070 8.052 0.018 17717 13854 1 14 . 1 1 162 162 LEU N N 162 115.398 115.398 121.209 -5.811 17717 13855 1 14 . 1 1 162 162 LEU HA H 162 4.220 4.220 4.491 -0.271 17717 13856 1 14 . 1 1 162 162 LEU CA C 162 56.500 56.500 55.903 0.597 17717 13857 1 14 . 1 1 162 162 LEU CB C 162 41.000 41.000 40.569 0.431 17717 13858 1 14 . 1 1 162 162 LEU H H 162 7.980 7.980 7.826 0.154 17717 13859 1 14 . 1 1 163 163 ALA N N 163 122.210 122.210 123.340 -1.130 17717 13860 1 14 . 1 1 163 163 ALA HA H 163 4.260 4.260 4.114 0.146 17717 13861 1 14 . 1 1 163 163 ALA CA C 163 56.560 56.560 56.999 -0.439 17717 13862 1 14 . 1 1 163 163 ALA CB C 163 15.000 15.000 16.104 -1.104 17717 13863 1 14 . 1 1 163 163 ALA H H 163 7.460 7.460 8.256 -0.796 17717 13864 1 14 . 1 1 164 164 PRO CA C 164 62.800 62.800 65.644 -2.844 17717 13865 1 14 . 1 1 164 164 PRO CB C 164 31.500 31.500 31.158 0.342 17717 13866 1 14 . 1 1 165 165 HIS N N 165 120.080 120.080 117.648 2.432 17717 13867 1 14 . 1 1 165 165 HIS HA H 165 4.390 4.390 4.231 0.159 17717 13868 1 14 . 1 1 165 165 HIS CA C 165 56.000 56.000 59.704 -3.704 17717 13869 1 14 . 1 1 165 165 HIS CB C 165 28.400 28.400 29.605 -1.205 17717 13870 1 14 . 1 1 165 165 HIS H H 165 8.060 8.060 7.800 0.260 17717 13871 1 14 . 1 1 166 166 SER N N 166 116.366 116.366 115.057 1.309 17717 13872 1 14 . 1 1 166 166 SER HA H 166 4.300 4.300 4.174 0.126 17717 13873 1 14 . 1 1 166 166 SER CA C 166 61.200 61.200 61.756 -0.556 17717 13874 1 14 . 1 1 166 166 SER CB C 166 63.000 63.000 63.263 -0.263 17717 13875 1 14 . 1 1 166 166 SER H H 166 8.040 8.040 8.369 -0.329 17717 13876 1 14 . 1 1 167 167 GLU N N 167 121.678 121.678 121.309 0.369 17717 13877 1 14 . 1 1 167 167 GLU HA H 167 3.922 3.922 4.036 -0.114 17717 13878 1 14 . 1 1 167 167 GLU CA C 167 62.800 62.800 59.752 3.048 17717 13879 1 14 . 1 1 167 167 GLU CB C 167 31.100 31.100 29.656 1.444 17717 13880 1 14 . 1 1 167 167 GLU H H 167 7.760 7.760 7.639 0.121 17717 13881 1 14 . 1 1 168 168 GLN N N 168 121.147 121.147 119.119 2.028 17717 13882 1 14 . 1 1 168 168 GLN HA H 168 4.320 4.320 4.075 0.245 17717 13883 1 14 . 1 1 168 168 GLN CA C 168 55.300 55.300 58.831 -3.531 17717 13884 1 14 . 1 1 168 168 GLN CB C 168 28.200 28.200 28.855 -0.655 17717 13885 1 14 . 1 1 168 168 GLN H H 168 8.450 8.450 8.644 -0.194 17717 13886 1 14 . 1 1 170 170 ARG CA C 170 58.370 58.370 59.355 -0.985 17717 13887 1 14 . 1 1 170 170 ARG CB C 170 28.900 28.900 30.160 -1.260 17717 13888 1 14 . 1 1 171 171 GLU N N 171 117.960 117.960 119.026 -1.066 17717 13889 1 14 . 1 1 171 171 GLU HA H 171 4.140 4.140 4.205 -0.065 17717 13890 1 14 . 1 1 171 171 GLU CA C 171 57.300 57.300 59.491 -2.191 17717 13891 1 14 . 1 1 171 171 GLU CB C 171 29.200 29.200 29.632 -0.432 17717 13892 1 14 . 1 1 171 171 GLU H H 171 7.730 7.730 7.593 0.137 17717 13893 1 14 . 1 1 172 172 SER N N 172 116.366 116.366 116.539 -0.173 17717 13894 1 14 . 1 1 172 172 SER HA H 172 4.270 4.270 4.138 0.132 17717 13895 1 14 . 1 1 172 172 SER CA C 172 58.000 58.000 62.508 -4.508 17717 13896 1 14 . 1 1 172 172 SER CB C 172 63.000 63.000 63.000 -0.000 17717 13897 1 14 . 1 1 172 172 SER H H 172 8.320 8.320 8.737 -0.417 17717 13898 1 14 . 1 1 173 173 LEU N N 173 124.866 124.866 122.172 2.694 17717 13899 1 14 . 1 1 173 173 LEU HA H 173 4.352 4.352 4.084 0.268 17717 13900 1 14 . 1 1 173 173 LEU CA C 173 54.540 54.540 57.435 -2.895 17717 13901 1 14 . 1 1 173 173 LEU CB C 173 41.400 41.400 41.445 -0.045 17717 13902 1 14 . 1 1 173 173 LEU H H 173 8.260 8.260 7.732 0.528 17717 13903 1 14 . 1 1 174 174 ALA N N 174 126.460 126.460 121.027 5.433 17717 13904 1 14 . 1 1 174 174 ALA HA H 174 4.270 4.270 3.822 0.448 17717 13905 1 14 . 1 1 174 174 ALA CA C 174 55.400 55.400 54.797 0.603 17717 13906 1 14 . 1 1 174 174 ALA CB C 174 17.200 17.200 18.058 -0.858 17717 13907 1 14 . 1 1 174 174 ALA H H 174 8.210 8.210 7.447 0.763 17717 13908 1 14 . 1 1 175 175 GLN N N 175 117.430 117.430 118.228 -0.798 17717 13909 1 14 . 1 1 175 175 GLN HA H 175 4.060 4.060 4.008 0.052 17717 13910 1 14 . 1 1 175 175 GLN CA C 175 58.600 58.600 58.193 0.407 17717 13911 1 14 . 1 1 175 175 GLN CB C 175 27.400 27.400 28.649 -1.249 17717 13912 1 14 . 1 1 175 175 GLN H H 175 8.450 8.450 7.953 0.497 17717 13913 1 14 . 1 1 176 176 ARG N N 176 119.550 119.550 121.509 -1.959 17717 13914 1 14 . 1 1 176 176 ARG HA H 176 4.180 4.180 3.871 0.309 17717 13915 1 14 . 1 1 176 176 ARG CA C 176 56.900 56.900 59.845 -2.945 17717 13916 1 14 . 1 1 176 176 ARG CB C 176 29.300 29.300 30.160 -0.860 17717 13917 1 14 . 1 1 176 176 ARG H H 176 8.070 8.070 8.260 -0.190 17717 13918 1 14 . 1 1 177 177 LEU N N 177 115.840 115.840 116.825 -0.985 17717 13919 1 14 . 1 1 177 177 LEU HA H 177 4.180 4.180 3.856 0.324 17717 13920 1 14 . 1 1 177 177 LEU CA C 177 56.900 56.900 57.931 -1.031 17717 13921 1 14 . 1 1 177 177 LEU CB C 177 40.100 40.100 40.864 -0.764 17717 13922 1 14 . 1 1 177 177 LEU H H 177 8.330 8.330 7.510 0.820 17717 13923 1 14 . 1 1 178 178 ALA N N 178 121.220 121.220 120.767 0.453 17717 13924 1 14 . 1 1 178 178 ALA HA H 178 3.880 3.880 3.948 -0.068 17717 13925 1 14 . 1 1 178 178 ALA CA C 178 54.600 54.600 54.725 -0.126 17717 13926 1 14 . 1 1 178 178 ALA CB C 178 16.900 16.900 17.888 -0.988 17717 13927 1 14 . 1 1 178 178 ALA H H 178 8.570 8.570 7.606 0.964 17717 13928 1 14 . 1 1 179 179 GLU N N 179 118.490 118.490 119.942 -1.452 17717 13929 1 14 . 1 1 179 179 GLU HA H 179 4.180 4.180 4.026 0.154 17717 13930 1 14 . 1 1 179 179 GLU CA C 179 56.600 56.600 59.136 -2.537 17717 13931 1 14 . 1 1 179 179 GLU CB C 179 29.000 29.000 29.410 -0.410 17717 13932 1 14 . 1 1 179 179 GLU H H 179 7.680 7.680 7.805 -0.125 17717 13933 1 14 . 1 1 180 180 LEU N N 180 117.730 117.730 117.865 -0.135 17717 13934 1 14 . 1 1 180 180 LEU HA H 180 4.265 4.265 3.956 0.309 17717 13935 1 14 . 1 1 180 180 LEU CA C 180 55.020 55.020 56.981 -1.961 17717 13936 1 14 . 1 1 180 180 LEU CB C 180 41.100 41.100 41.404 -0.304 17717 13937 1 14 . 1 1 180 180 LEU H H 180 7.680 7.680 7.247 0.433 17717 13938 1 14 . 1 1 181 181 LYS N N 181 117.400 117.400 117.899 -0.499 17717 13939 1 14 . 1 1 181 181 LYS HA H 181 4.480 4.480 3.927 0.553 17717 13940 1 14 . 1 1 181 181 LYS CA C 181 61.900 61.900 58.405 3.495 17717 13941 1 14 . 1 1 181 181 LYS CB C 181 31.800 31.800 32.362 -0.562 17717 13942 1 14 . 1 1 181 181 LYS H H 181 7.510 7.510 7.579 -0.069 17717 13943 1 14 . 1 1 182 182 SER N N 182 114.010 114.010 114.466 -0.456 17717 13944 1 14 . 1 1 182 182 SER HA H 182 4.350 4.350 4.320 0.030 17717 13945 1 14 . 1 1 182 182 SER CA C 182 58.000 58.000 59.624 -1.625 17717 13946 1 14 . 1 1 182 182 SER CB C 182 63.300 63.300 64.174 -0.874 17717 13947 1 14 . 1 1 182 182 SER H H 182 7.920 7.920 8.166 -0.246 17717 13948 1 14 . 1 1 183 183 ASN N N 183 123.040 123.040 115.030 8.010 17717 13949 1 14 . 1 1 183 183 ASN HA H 183 4.310 4.310 4.873 -0.563 17717 13950 1 14 . 1 1 183 183 ASN CA C 183 55.115 55.115 52.054 3.061 17717 13951 1 14 . 1 1 183 183 ASN CB C 183 37.838 37.838 38.853 -1.015 17717 13952 1 14 . 1 1 183 183 ASN H H 183 8.250 8.250 7.645 0.605 17717 13953 1 14 . 1 1 184 184 PRO CA C 184 63.180 63.180 63.131 0.049 17717 13954 1 14 . 1 1 184 184 PRO CB C 184 31.400 31.400 31.250 0.150 17717 13955 1 14 . 1 1 185 185 THR N N 185 114.240 114.240 118.674 -4.434 17717 13956 1 14 . 1 1 185 185 THR HA H 185 4.270 4.270 4.040 0.230 17717 13957 1 14 . 1 1 185 185 THR CA C 185 61.200 61.200 65.751 -4.551 17717 13958 1 14 . 1 1 185 185 THR CB C 185 69.100 69.100 69.476 -0.376 17717 13959 1 14 . 1 1 185 185 THR H H 185 8.150 8.150 8.183 -0.033 17717 13960 1 14 . 1 1 186 186 LEU N N 186 123.270 123.270 114.637 8.633 17717 13961 1 14 . 1 1 186 186 LEU HA H 186 4.350 4.350 4.564 -0.214 17717 13962 1 14 . 1 1 186 186 LEU CA C 186 55.000 55.000 54.259 0.741 17717 13963 1 14 . 1 1 186 186 LEU CB C 186 41.000 41.000 44.033 -3.033 17717 13964 1 14 . 1 1 186 186 LEU H H 186 8.430 8.430 7.660 0.770 17717 13965 1 14 . 1 1 187 187 ASN N N 187 119.020 119.020 118.716 0.304 17717 13966 1 14 . 1 1 187 187 ASN HA H 187 4.530 4.530 5.131 -0.601 17717 13967 1 14 . 1 1 187 187 ASN CA C 187 53.400 53.400 52.058 1.342 17717 13968 1 14 . 1 1 187 187 ASN CB C 187 37.900 37.900 40.012 -2.112 17717 13969 1 14 . 1 1 187 187 ASN H H 187 8.370 8.370 7.996 0.374 17717 13970 1 14 . 1 1 188 188 GLU N N 188 123.270 123.270 120.945 2.325 17717 13971 1 14 . 1 1 188 188 GLU HA H 188 4.000 4.000 4.173 -0.173 17717 13972 1 14 . 1 1 188 188 GLU CA C 188 61.700 61.700 58.061 3.639 17717 13973 1 14 . 1 1 188 188 GLU CB C 188 32.100 32.100 29.951 2.149 17717 13974 1 14 . 1 1 188 188 GLU H H 188 7.870 7.870 9.166 -1.296 17717 13975 1 14 . 1 1 189 189 TYR N N 189 122.210 122.210 118.685 3.525 17717 13976 1 14 . 1 1 189 189 TYR HA H 189 4.440 4.440 4.183 0.257 17717 13977 1 14 . 1 1 189 189 TYR CA C 189 57.120 57.120 59.350 -2.230 17717 13978 1 14 . 1 1 189 189 TYR CB C 189 40.000 40.000 37.528 2.472 17717 13979 1 14 . 1 1 189 189 TYR H H 189 8.590 8.590 8.118 0.472 17717 13980 1 14 . 1 1 190 190 HIS N N 190 124.866 124.866 120.694 4.172 17717 13981 1 14 . 1 1 190 190 HIS HA H 190 4.780 4.780 3.865 0.915 17717 13982 1 14 . 1 1 190 190 HIS CA C 190 56.000 56.000 56.576 -0.576 17717 13983 1 14 . 1 1 190 190 HIS CB C 190 29.400 29.400 28.577 0.823 17717 13984 1 14 . 1 1 190 190 HIS H H 190 8.420 8.420 8.227 0.193 17717 13985 1 14 . 1 1 191 191 SER N N 191 117.429 117.429 114.150 3.279 17717 13986 1 14 . 1 1 191 191 SER HA H 191 4.140 4.140 4.702 -0.562 17717 13987 1 14 . 1 1 191 191 SER CA C 191 58.140 58.140 57.923 0.217 17717 13988 1 14 . 1 1 191 191 SER CB C 191 63.140 63.140 63.506 -0.366 17717 13989 1 14 . 1 1 191 191 SER H H 191 8.270 8.270 8.079 0.191 17717 13990 1 14 . 1 1 192 192 SER N N 192 124.335 124.335 121.621 2.714 17717 13991 1 14 . 1 1 192 192 SER HA H 192 4.730 4.730 4.592 0.138 17717 13992 1 14 . 1 1 192 192 SER CA C 192 59.020 59.020 59.639 -0.619 17717 13993 1 14 . 1 1 192 192 SER CB C 192 63.000 63.000 64.194 -1.194 17717 13994 1 14 . 1 1 192 192 SER H H 192 8.010 8.010 8.537 -0.527 17717 13995 1 14 . 1 1 193 193 ALA N N 193 125.930 125.930 121.977 3.953 17717 13996 1 14 . 1 1 193 193 ALA HA H 193 4.310 4.310 3.921 0.389 17717 13997 1 14 . 1 1 193 193 ALA CA C 193 52.300 52.300 51.952 0.348 17717 13998 1 14 . 1 1 193 193 ALA CB C 193 18.000 18.000 18.722 -0.722 17717 13999 1 14 . 1 1 193 193 ALA H H 193 8.100 8.100 8.088 0.012 17717 14000 1 14 . 1 1 194 194 LYS N N 194 126.460 126.460 120.284 6.176 17717 14001 1 14 . 1 1 194 194 LYS HA H 194 4.220 4.220 4.258 -0.038 17717 14002 1 14 . 1 1 194 194 LYS CA C 194 56.600 56.600 56.182 0.418 17717 14003 1 14 . 1 1 194 194 LYS CB C 194 33.000 33.000 34.357 -1.357 17717 14004 1 14 . 1 1 194 194 LYS H H 194 7.860 7.860 7.492 0.368 17717 14005 1 14 . 1 1 195 195 SER N N 195 117.429 117.429 115.527 1.902 17717 14006 1 14 . 1 1 195 195 SER HA H 195 4.430 4.430 4.178 0.252 17717 14007 1 14 . 1 1 195 195 SER CA C 195 58.499 58.499 59.087 -0.588 17717 14008 1 14 . 1 1 195 195 SER CB C 195 63.129 63.129 62.364 0.765 17717 14009 1 14 . 1 1 195 195 SER H H 195 8.240 8.240 8.902 -0.662 17717 14010 1 14 . 1 1 196 196 HIS N N 196 122.440 122.440 118.926 3.514 17717 14011 1 14 . 1 1 196 196 HIS HA H 196 4.222 4.222 4.395 -0.173 17717 14012 1 14 . 1 1 196 196 HIS CA C 196 55.743 55.743 57.977 -2.234 17717 14013 1 14 . 1 1 196 196 HIS CB C 196 28.566 28.566 30.238 -1.672 17717 14014 1 14 . 1 1 196 196 HIS H H 196 8.044 8.044 8.536 -0.492 17717 14015 1 14 . 1 1 197 197 LEU N N 197 117.429 117.429 119.547 -2.118 17717 14016 1 14 . 1 1 197 197 LEU HA H 197 4.179 4.179 4.191 -0.012 17717 14017 1 14 . 1 1 197 197 LEU CA C 197 54.540 54.540 57.989 -3.449 17717 14018 1 14 . 1 1 197 197 LEU CB C 197 40.040 40.040 41.204 -1.164 17717 14019 1 14 . 1 1 197 197 LEU H H 197 8.044 8.044 8.087 -0.043 17717 14020 1 14 . 1 1 198 198 LYS N N 198 117.430 117.430 119.161 -1.731 17717 14021 1 14 . 1 1 198 198 LYS HA H 198 4.140 4.140 4.008 0.132 17717 14022 1 14 . 1 1 198 198 LYS CA C 198 57.600 57.600 59.223 -1.623 17717 14023 1 14 . 1 1 198 198 LYS CB C 198 32.000 32.000 31.635 0.365 17717 14024 1 14 . 1 1 198 198 LYS H H 198 7.510 7.510 8.120 -0.610 17717 14025 1 14 . 1 1 199 199 SER N N 199 114.315 114.315 116.281 -1.966 17717 14026 1 14 . 1 1 199 199 SER HA H 199 4.310 4.310 4.148 0.162 17717 14027 1 14 . 1 1 199 199 SER CA C 199 62.000 62.000 60.979 1.021 17717 14028 1 14 . 1 1 199 199 SER CB C 199 63.600 63.600 63.021 0.579 17717 14029 1 14 . 1 1 199 199 SER H H 199 7.930 7.930 7.770 0.160 17717 14030 1 14 . 1 1 200 200 LEU N N 200 124.335 124.335 121.459 2.876 17717 14031 1 14 . 1 1 200 200 LEU HA H 200 4.260 4.260 4.210 0.050 17717 14032 1 14 . 1 1 200 200 LEU CA C 200 55.200 55.200 57.558 -2.358 17717 14033 1 14 . 1 1 200 200 LEU CB C 200 41.200 41.200 41.733 -0.532 17717 14034 1 14 . 1 1 200 200 LEU H H 200 8.170 8.170 7.458 0.712 17717 14035 1 14 . 1 1 201 201 GLY N N 201 109.990 109.990 106.665 3.325 17717 14036 1 14 . 1 1 201 201 GLY CA C 201 44.700 44.700 46.886 -2.186 17717 14037 1 14 . 1 1 201 201 GLY H H 201 8.290 8.290 7.948 0.342 17717 14038 1 14 . 1 1 202 202 GLU N N 202 126.460 126.460 119.467 6.993 17717 14039 1 14 . 1 1 202 202 GLU HA H 202 4.220 4.220 4.272 -0.052 17717 14040 1 14 . 1 1 202 202 GLU CA C 202 56.600 56.600 58.430 -1.830 17717 14041 1 14 . 1 1 202 202 GLU CB C 202 32.800 32.800 29.850 2.950 17717 14042 1 14 . 1 1 202 202 GLU H H 202 7.750 7.750 7.644 0.106 17717 14043 1 14 . 1 1 203 203 LYS CA C 203 55.775 55.775 54.648 1.127 17717 14044 1 14 . 1 1 203 203 LYS CB C 203 32.283 32.283 32.856 -0.573 17717 14045 1 14 . 1 1 204 204 ALA N N 204 125.390 125.390 121.400 3.990 17717 14046 1 14 . 1 1 204 204 ALA HA H 204 4.310 4.310 4.557 -0.247 17717 14047 1 14 . 1 1 204 204 ALA CA C 204 52.000 52.000 50.704 1.296 17717 14048 1 14 . 1 1 204 204 ALA CB C 204 18.400 18.400 20.834 -2.434 17717 14049 1 14 . 1 1 204 204 ALA H H 204 8.180 8.180 7.142 1.038 17717 14050 1 14 . 1 1 205 205 ARG N N 205 121.150 121.150 119.282 1.868 17717 14051 1 14 . 1 1 205 205 ARG HA H 205 4.270 4.270 4.342 -0.072 17717 14052 1 14 . 1 1 205 205 ARG CA C 205 56.384 56.384 55.156 1.228 17717 14053 1 14 . 1 1 205 205 ARG CB C 205 29.193 29.193 30.280 -1.087 17717 14054 1 14 . 1 1 205 205 ARG H H 205 8.350 8.350 8.510 -0.160 17717 14055 1 14 . 1 1 206 206 PRO CA C 206 62.600 62.600 63.830 -1.230 17717 14056 1 14 . 1 1 206 206 PRO CB C 206 31.400 31.400 30.118 1.282 17717 14057 1 14 . 1 1 207 207 ALA N N 207 125.400 125.400 124.529 0.871 17717 14058 1 14 . 1 1 207 207 ALA HA H 207 4.308 4.308 4.324 -0.016 17717 14059 1 14 . 1 1 207 207 ALA CA C 207 51.700 51.700 53.044 -1.344 17717 14060 1 14 . 1 1 207 207 ALA CB C 207 18.200 18.200 19.869 -1.669 17717 14061 1 14 . 1 1 207 207 ALA H H 207 8.400 8.400 8.420 -0.020 17717 14062 1 14 . 1 1 208 208 LEU N N 208 121.680 121.680 121.859 -0.179 17717 14063 1 14 . 1 1 208 208 LEU HA H 208 4.480 4.480 4.155 0.325 17717 14064 1 14 . 1 1 208 208 LEU CA C 208 55.100 55.100 56.959 -1.859 17717 14065 1 14 . 1 1 208 208 LEU CB C 208 41.200 41.200 42.314 -1.114 17717 14066 1 14 . 1 1 208 208 LEU H H 208 8.180 8.180 7.880 0.300 17717 14067 1 14 . 1 1 209 209 GLU N N 209 121.147 121.147 119.022 2.125 17717 14068 1 14 . 1 1 209 209 GLU HA H 209 4.180 4.180 3.932 0.248 17717 14069 1 14 . 1 1 209 209 GLU CA C 209 56.477 56.477 59.974 -3.497 17717 14070 1 14 . 1 1 209 209 GLU CB C 209 29.250 29.250 29.428 -0.178 17717 14071 1 14 . 1 1 209 209 GLU H H 209 8.380 8.380 8.499 -0.119 17717 14072 1 14 . 1 1 210 210 ASP N N 210 121.147 121.147 119.814 1.333 17717 14073 1 14 . 1 1 210 210 ASP HA H 210 4.260 4.260 4.645 -0.385 17717 14074 1 14 . 1 1 210 210 ASP CA C 210 55.000 55.000 57.085 -2.085 17717 14075 1 14 . 1 1 210 210 ASP CB C 210 37.200 37.200 40.934 -3.734 17717 14076 1 14 . 1 1 210 210 ASP H H 210 8.280 8.280 7.730 0.550 17717 14077 1 14 . 1 1 211 211 LEU N N 211 122.210 122.210 118.902 3.308 17717 14078 1 14 . 1 1 211 211 LEU HA H 211 4.220 4.220 4.178 0.042 17717 14079 1 14 . 1 1 211 211 LEU CA C 211 57.400 57.400 56.395 1.006 17717 14080 1 14 . 1 1 211 211 LEU CB C 211 39.430 39.430 41.488 -2.058 17717 14081 1 14 . 1 1 211 211 LEU H H 211 8.640 8.640 7.485 1.155 17717 14082 1 14 . 1 1 212 212 ARG N N 212 119.550 119.550 118.643 0.907 17717 14083 1 14 . 1 1 212 212 ARG HA H 212 4.220 4.220 3.989 0.231 17717 14084 1 14 . 1 1 212 212 ARG CA C 212 57.400 57.400 58.863 -1.463 17717 14085 1 14 . 1 1 212 212 ARG CB C 212 29.600 29.600 30.408 -0.808 17717 14086 1 14 . 1 1 212 212 ARG H H 212 7.910 7.910 7.771 0.139 17717 14087 1 14 . 1 1 213 213 HIS CA C 213 56.200 56.200 56.462 -0.262 17717 14088 1 14 . 1 1 213 213 HIS CB C 213 31.900 31.900 30.365 1.535 17717 14089 1 14 . 1 1 214 214 SER N N 214 116.366 116.366 116.327 0.039 17717 14090 1 14 . 1 1 214 214 SER HA H 214 4.265 4.265 4.462 -0.197 17717 14091 1 14 . 1 1 214 214 SER CA C 214 61.100 61.100 56.918 4.182 17717 14092 1 14 . 1 1 214 214 SER CB C 214 63.100 63.100 62.609 0.491 17717 14093 1 14 . 1 1 214 214 SER H H 214 8.140 8.140 7.041 1.099 17717 14094 1 14 . 1 1 215 215 LEU N N 215 130.565 130.565 127.784 2.781 17717 14095 1 14 . 1 1 215 215 LEU HA H 215 4.730 4.730 4.645 0.085 17717 14096 1 14 . 1 1 215 215 LEU CA C 215 54.900 54.900 53.839 1.061 17717 14097 1 14 . 1 1 215 215 LEU CB C 215 42.000 42.000 44.800 -2.800 17717 14098 1 14 . 1 1 215 215 LEU H H 215 7.890 7.890 8.056 -0.166 17717 14099 1 15 . 1 1 2 2 GLU N N 2 121.678 121.678 120.915 0.763 17717 14100 1 15 . 1 1 2 2 GLU HA H 2 4.488 4.488 4.489 -0.001 17717 14101 1 15 . 1 1 2 2 GLU CA C 2 56.418 56.418 55.261 1.157 17717 14102 1 15 . 1 1 2 2 GLU CB C 2 29.014 29.014 30.378 -1.364 17717 14103 1 15 . 1 1 2 2 GLU H H 2 8.276 8.276 8.094 0.182 17717 14104 1 15 . 1 1 3 3 PRO CA C 3 62.923 62.923 63.555 -0.632 17717 14105 1 15 . 1 1 3 3 PRO CB C 3 31.547 31.547 31.093 0.454 17717 14106 1 15 . 1 1 4 4 GLN N N 4 121.147 121.147 123.237 -2.090 17717 14107 1 15 . 1 1 4 4 GLN HA H 4 4.349 4.349 4.511 -0.162 17717 14108 1 15 . 1 1 4 4 GLN CA C 4 55.450 55.450 55.684 -0.234 17717 14109 1 15 . 1 1 4 4 GLN CB C 4 28.854 28.854 31.386 -2.532 17717 14110 1 15 . 1 1 4 4 GLN H H 4 8.500 8.500 8.326 0.174 17717 14111 1 15 . 1 1 5 5 SER N N 5 117.429 117.429 113.591 3.838 17717 14112 1 15 . 1 1 5 5 SER HA H 5 4.329 4.329 3.414 0.915 17717 14113 1 15 . 1 1 5 5 SER CA C 5 58.100 58.100 58.135 -0.035 17717 14114 1 15 . 1 1 5 5 SER CB C 5 63.485 63.485 64.058 -0.573 17717 14115 1 15 . 1 1 5 5 SER H H 5 8.370 8.370 8.399 -0.029 17717 14116 1 15 . 1 1 6 6 GLN N N 6 123.803 123.803 121.883 1.920 17717 14117 1 15 . 1 1 6 6 GLN CA C 6 56.330 56.330 58.701 -2.371 17717 14118 1 15 . 1 1 6 6 GLN CB C 6 28.800 28.800 28.800 0.000 17717 14119 1 15 . 1 1 6 6 GLN H H 6 8.620 8.620 8.248 0.372 17717 14120 1 15 . 1 1 7 7 TRP N N 7 119.022 119.022 118.369 0.653 17717 14121 1 15 . 1 1 7 7 TRP HA H 7 4.394 4.394 4.416 -0.022 17717 14122 1 15 . 1 1 7 7 TRP CA C 7 59.800 59.800 59.739 0.061 17717 14123 1 15 . 1 1 7 7 TRP CB C 7 27.800 27.800 27.976 -0.176 17717 14124 1 15 . 1 1 7 7 TRP H H 7 7.970 7.970 8.484 -0.514 17717 14125 1 15 . 1 1 8 8 ASP N N 8 121.678 121.678 119.791 1.887 17717 14126 1 15 . 1 1 8 8 ASP HA H 8 4.409 4.409 4.227 0.182 17717 14127 1 15 . 1 1 8 8 ASP CA C 8 56.912 56.912 57.372 -0.460 17717 14128 1 15 . 1 1 8 8 ASP CB C 8 38.400 38.400 39.771 -1.371 17717 14129 1 15 . 1 1 8 8 ASP H H 8 8.440 8.440 7.526 0.914 17717 14130 1 15 . 1 1 9 9 LYS N N 9 120.616 120.616 120.753 -0.137 17717 14131 1 15 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.011 0.079 17717 14132 1 15 . 1 1 9 9 LYS CA C 9 58.277 58.277 59.326 -1.049 17717 14133 1 15 . 1 1 9 9 LYS CB C 9 31.550 31.550 32.581 -1.031 17717 14134 1 15 . 1 1 9 9 LYS H H 9 7.830 7.830 7.132 0.698 17717 14135 1 15 . 1 1 10 10 VAL N N 10 118.491 118.491 115.429 3.062 17717 14136 1 15 . 1 1 10 10 VAL HA H 10 3.830 3.830 4.168 -0.338 17717 14137 1 15 . 1 1 10 10 VAL CA C 10 65.630 65.630 66.532 -0.902 17717 14138 1 15 . 1 1 10 10 VAL CB C 10 31.300 31.300 31.276 0.024 17717 14139 1 15 . 1 1 10 10 VAL H H 10 7.160 7.160 8.189 -1.029 17717 14140 1 15 . 1 1 11 11 LYS N N 11 122.210 122.210 118.871 3.339 17717 14141 1 15 . 1 1 11 11 LYS HA H 11 3.880 3.880 3.852 0.028 17717 14142 1 15 . 1 1 11 11 LYS CA C 11 59.460 59.460 59.317 0.143 17717 14143 1 15 . 1 1 11 11 LYS CB C 11 31.200 31.200 31.960 -0.760 17717 14144 1 15 . 1 1 11 11 LYS H H 11 8.660 8.660 7.622 1.038 17717 14145 1 15 . 1 1 12 12 ASP N N 12 119.553 119.553 120.694 -1.141 17717 14146 1 15 . 1 1 12 12 ASP HA H 12 4.140 4.140 4.356 -0.216 17717 14147 1 15 . 1 1 12 12 ASP CA C 12 57.381 57.381 57.144 0.237 17717 14148 1 15 . 1 1 12 12 ASP CB C 12 39.800 39.800 40.827 -1.027 17717 14149 1 15 . 1 1 12 12 ASP H H 12 7.790 7.790 7.847 -0.057 17717 14150 1 15 . 1 1 13 13 PHE N N 13 116.500 116.500 118.539 -2.039 17717 14151 1 15 . 1 1 13 13 PHE HA H 13 4.690 4.690 4.192 0.498 17717 14152 1 15 . 1 1 13 13 PHE CA C 13 58.662 58.662 60.299 -1.637 17717 14153 1 15 . 1 1 13 13 PHE CB C 13 38.700 38.700 37.819 0.881 17717 14154 1 15 . 1 1 13 13 PHE H H 13 7.680 7.680 7.671 0.009 17717 14155 1 15 . 1 1 14 14 ALA N N 14 122.209 122.209 122.590 -0.381 17717 14156 1 15 . 1 1 14 14 ALA HA H 14 4.008 4.008 3.759 0.249 17717 14157 1 15 . 1 1 14 14 ALA CA C 14 54.550 54.550 54.709 -0.159 17717 14158 1 15 . 1 1 14 14 ALA CB C 14 17.250 17.250 17.947 -0.697 17717 14159 1 15 . 1 1 14 14 ALA H H 14 8.760 8.760 7.328 1.432 17717 14160 1 15 . 1 1 15 15 ASN N N 15 119.553 119.553 115.477 4.076 17717 14161 1 15 . 1 1 15 15 ASN HA H 15 4.520 4.520 4.391 0.129 17717 14162 1 15 . 1 1 15 15 ASN CA C 15 56.084 56.084 55.065 1.019 17717 14163 1 15 . 1 1 15 15 ASN CB C 15 38.544 38.544 38.595 -0.051 17717 14164 1 15 . 1 1 15 15 ASN H H 15 8.930 8.930 7.494 1.436 17717 14165 1 15 . 1 1 16 16 VAL N N 16 116.897 116.897 121.489 -4.592 17717 14166 1 15 . 1 1 16 16 VAL HA H 16 3.590 3.590 3.647 -0.057 17717 14167 1 15 . 1 1 16 16 VAL CA C 16 64.600 64.600 67.686 -3.086 17717 14168 1 15 . 1 1 16 16 VAL CB C 16 31.800 31.800 31.704 0.096 17717 14169 1 15 . 1 1 16 16 VAL H H 16 7.870 7.870 7.491 0.379 17717 14170 1 15 . 1 1 17 17 TYR N N 17 112.116 112.116 117.407 -5.291 17717 14171 1 15 . 1 1 17 17 TYR HA H 17 4.751 4.751 4.377 0.374 17717 14172 1 15 . 1 1 17 17 TYR CA C 17 59.040 59.040 60.517 -1.477 17717 14173 1 15 . 1 1 17 17 TYR CB C 17 39.060 39.060 37.174 1.886 17717 14174 1 15 . 1 1 17 17 TYR H H 17 8.000 8.000 8.188 -0.188 17717 14175 1 15 . 1 1 18 18 VAL N N 18 114.241 114.241 120.742 -6.501 17717 14176 1 15 . 1 1 18 18 VAL HA H 18 4.220 4.220 3.374 0.846 17717 14177 1 15 . 1 1 18 18 VAL CA C 18 63.520 63.520 66.544 -3.024 17717 14178 1 15 . 1 1 18 18 VAL CB C 18 31.128 31.128 31.346 -0.218 17717 14179 1 15 . 1 1 18 18 VAL H H 18 7.600 7.600 6.805 0.795 17717 14180 1 15 . 1 1 19 19 ASP N N 19 123.272 123.272 119.912 3.360 17717 14181 1 15 . 1 1 19 19 ASP HA H 19 4.523 4.523 4.351 0.172 17717 14182 1 15 . 1 1 19 19 ASP CA C 19 56.445 56.445 57.158 -0.713 17717 14183 1 15 . 1 1 19 19 ASP CB C 19 38.700 38.700 40.733 -2.033 17717 14184 1 15 . 1 1 19 19 ASP H H 19 8.890 8.890 8.134 0.756 17717 14185 1 15 . 1 1 20 20 ALA N N 20 118.491 118.491 122.696 -4.205 17717 14186 1 15 . 1 1 20 20 ALA HA H 20 4.230 4.230 4.303 -0.073 17717 14187 1 15 . 1 1 20 20 ALA CA C 20 54.100 54.100 55.325 -1.225 17717 14188 1 15 . 1 1 20 20 ALA CB C 20 18.760 18.760 18.953 -0.193 17717 14189 1 15 . 1 1 20 20 ALA H H 20 6.630 6.630 7.527 -0.897 17717 14190 1 15 . 1 1 21 21 VAL N N 21 116.897 116.897 116.955 -0.058 17717 14191 1 15 . 1 1 21 21 VAL HA H 21 3.664 3.664 3.762 -0.098 17717 14192 1 15 . 1 1 21 21 VAL CA C 21 66.200 66.200 65.799 0.401 17717 14193 1 15 . 1 1 21 21 VAL CB C 21 30.460 30.460 31.528 -1.068 17717 14194 1 15 . 1 1 21 21 VAL H H 21 7.410 7.410 7.690 -0.280 17717 14195 1 15 . 1 1 22 22 LYS N N 22 121.147 121.147 120.137 1.010 17717 14196 1 15 . 1 1 22 22 LYS HA H 22 4.222 4.222 4.076 0.146 17717 14197 1 15 . 1 1 22 22 LYS CA C 22 59.300 59.300 59.141 0.159 17717 14198 1 15 . 1 1 22 22 LYS CB C 22 31.100 31.100 32.068 -0.968 17717 14199 1 15 . 1 1 22 22 LYS H H 22 8.180 8.180 8.267 -0.087 17717 14200 1 15 . 1 1 23 23 ASP N N 23 121.278 121.278 119.514 1.764 17717 14201 1 15 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.514 0.052 17717 14202 1 15 . 1 1 23 23 ASP CA C 23 56.300 56.300 56.983 -0.683 17717 14203 1 15 . 1 1 23 23 ASP CB C 23 38.800 38.800 40.860 -2.060 17717 14204 1 15 . 1 1 23 23 ASP H H 23 8.860 8.860 7.983 0.877 17717 14205 1 15 . 1 1 24 24 SER N N 24 118.491 118.491 115.130 3.361 17717 14206 1 15 . 1 1 24 24 SER HA H 24 4.132 4.132 3.944 0.188 17717 14207 1 15 . 1 1 24 24 SER CA C 24 61.600 61.600 60.828 0.772 17717 14208 1 15 . 1 1 24 24 SER CB C 24 62.442 62.442 62.126 0.316 17717 14209 1 15 . 1 1 24 24 SER H H 24 7.950 7.950 8.263 -0.313 17717 14210 1 15 . 1 1 25 25 GLY N N 25 108.377 108.377 110.741 -2.364 17717 14211 1 15 . 1 1 25 25 GLY CA C 25 44.400 44.400 46.673 -2.273 17717 14212 1 15 . 1 1 25 25 GLY H H 25 7.560 7.560 7.648 -0.088 17717 14213 1 15 . 1 1 26 26 ARG N N 26 124.240 124.240 121.815 2.425 17717 14214 1 15 . 1 1 26 26 ARG HA H 26 4.303 4.303 4.152 0.151 17717 14215 1 15 . 1 1 26 26 ARG CA C 26 54.000 54.000 59.274 -5.274 17717 14216 1 15 . 1 1 26 26 ARG CB C 26 28.240 28.240 30.044 -1.804 17717 14217 1 15 . 1 1 26 26 ARG H H 26 8.200 8.200 7.693 0.507 17717 14218 1 15 . 1 1 27 27 ASP N N 27 121.678 121.678 118.765 2.913 17717 14219 1 15 . 1 1 27 27 ASP HA H 27 4.211 4.211 4.566 -0.355 17717 14220 1 15 . 1 1 27 27 ASP CA C 27 58.380 58.380 56.978 1.402 17717 14221 1 15 . 1 1 27 27 ASP CB C 27 40.400 40.400 41.376 -0.976 17717 14222 1 15 . 1 1 27 27 ASP H H 27 7.880 7.880 7.707 0.173 17717 14223 1 15 . 1 1 28 28 TYR N N 28 121.440 121.440 121.195 0.245 17717 14224 1 15 . 1 1 28 28 TYR HA H 28 4.480 4.480 4.277 0.203 17717 14225 1 15 . 1 1 28 28 TYR CA C 28 57.800 57.800 60.344 -2.544 17717 14226 1 15 . 1 1 28 28 TYR CB C 28 38.322 38.322 38.763 -0.441 17717 14227 1 15 . 1 1 28 28 TYR H H 28 8.020 8.020 8.207 -0.187 17717 14228 1 15 . 1 1 29 29 VAL N N 29 123.272 123.272 118.984 4.288 17717 14229 1 15 . 1 1 29 29 VAL HA H 29 4.040 4.040 3.573 0.467 17717 14230 1 15 . 1 1 29 29 VAL CA C 29 66.400 66.400 64.451 1.948 17717 14231 1 15 . 1 1 29 29 VAL CB C 29 30.500 30.500 31.130 -0.630 17717 14232 1 15 . 1 1 29 29 VAL H H 29 8.280 8.280 8.307 -0.027 17717 14233 1 15 . 1 1 30 30 SER N N 30 117.429 117.429 116.308 1.121 17717 14234 1 15 . 1 1 30 30 SER HA H 30 4.000 4.000 4.017 -0.017 17717 14235 1 15 . 1 1 30 30 SER CA C 30 61.070 61.070 61.732 -0.662 17717 14236 1 15 . 1 1 30 30 SER CB C 30 62.000 62.000 62.871 -0.871 17717 14237 1 15 . 1 1 30 30 SER H H 30 8.930 8.930 7.707 1.223 17717 14238 1 15 . 1 1 31 31 GLN N N 31 121.147 121.147 121.175 -0.028 17717 14239 1 15 . 1 1 31 31 GLN HA H 31 4.136 4.136 4.044 0.092 17717 14240 1 15 . 1 1 31 31 GLN CA C 31 58.210 58.210 58.359 -0.149 17717 14241 1 15 . 1 1 31 31 GLN CB C 31 27.600 27.600 28.319 -0.719 17717 14242 1 15 . 1 1 31 31 GLN H H 31 7.740 7.740 7.357 0.383 17717 14243 1 15 . 1 1 32 32 PHE N N 32 117.429 117.429 119.593 -2.164 17717 14244 1 15 . 1 1 32 32 PHE HA H 32 4.020 4.020 3.924 0.096 17717 14245 1 15 . 1 1 32 32 PHE CA C 32 60.600 60.600 61.089 -0.489 17717 14246 1 15 . 1 1 32 32 PHE CB C 32 36.896 36.896 38.570 -1.674 17717 14247 1 15 . 1 1 32 32 PHE H H 32 7.200 7.200 7.517 -0.317 17717 14248 1 15 . 1 1 33 33 GLU N N 33 122.210 122.210 117.792 4.418 17717 14249 1 15 . 1 1 33 33 GLU HA H 33 4.769 4.769 3.574 1.195 17717 14250 1 15 . 1 1 33 33 GLU CA C 33 59.220 59.220 58.949 0.271 17717 14251 1 15 . 1 1 33 33 GLU CB C 33 29.240 29.240 29.097 0.143 17717 14252 1 15 . 1 1 33 33 GLU H H 33 8.160 8.160 7.639 0.521 17717 14253 1 15 . 1 1 34 34 SER N N 34 109.991 109.991 113.558 -3.567 17717 14254 1 15 . 1 1 34 34 SER HA H 34 4.309 4.309 4.269 0.040 17717 14255 1 15 . 1 1 34 34 SER CA C 34 58.240 58.240 61.033 -2.793 17717 14256 1 15 . 1 1 34 34 SER CB C 34 63.260 63.260 62.727 0.533 17717 14257 1 15 . 1 1 34 34 SER H H 34 7.890 7.890 7.531 0.359 17717 14258 1 15 . 1 1 35 35 SER N N 35 120.085 120.085 119.003 1.082 17717 14259 1 15 . 1 1 35 35 SER HA H 35 4.354 4.354 4.103 0.251 17717 14260 1 15 . 1 1 35 35 SER CA C 35 58.100 58.100 61.989 -3.889 17717 14261 1 15 . 1 1 35 35 SER CB C 35 64.398 64.398 62.908 1.490 17717 14262 1 15 . 1 1 35 35 SER H H 35 7.420 7.420 8.195 -0.775 17717 14263 1 15 . 1 1 36 36 SER N N 36 116.130 116.130 118.623 -2.493 17717 14264 1 15 . 1 1 36 36 SER HA H 36 4.350 4.350 4.118 0.232 17717 14265 1 15 . 1 1 36 36 SER CA C 36 58.600 58.600 61.973 -3.373 17717 14266 1 15 . 1 1 36 36 SER CB C 36 63.370 63.370 62.823 0.547 17717 14267 1 15 . 1 1 36 36 SER H H 36 8.100 8.100 7.570 0.530 17717 14268 1 15 . 1 1 37 37 LEU N N 37 121.678 121.678 121.531 0.147 17717 14269 1 15 . 1 1 37 37 LEU HA H 37 4.222 4.222 4.100 0.122 17717 14270 1 15 . 1 1 37 37 LEU CA C 37 56.400 56.400 57.038 -0.637 17717 14271 1 15 . 1 1 37 37 LEU CB C 37 41.200 41.200 41.810 -0.611 17717 14272 1 15 . 1 1 37 37 LEU H H 37 8.290 8.290 7.399 0.891 17717 14273 1 15 . 1 1 38 38 GLY N N 38 108.400 108.400 105.584 2.816 17717 14274 1 15 . 1 1 38 38 GLY CA C 38 46.220 46.220 46.530 -0.310 17717 14275 1 15 . 1 1 38 38 GLY H H 38 7.280 7.280 8.037 -0.757 17717 14276 1 15 . 1 1 39 39 GLN N N 39 120.920 120.920 122.762 -1.842 17717 14277 1 15 . 1 1 39 39 GLN HA H 39 4.092 4.092 4.056 0.036 17717 14278 1 15 . 1 1 39 39 GLN CA C 39 57.423 57.423 58.858 -1.435 17717 14279 1 15 . 1 1 39 39 GLN CB C 39 28.847 28.847 28.484 0.363 17717 14280 1 15 . 1 1 39 39 GLN H H 39 8.360 8.360 7.967 0.393 17717 14281 1 15 . 1 1 40 40 GLN N N 40 118.648 118.648 118.818 -0.170 17717 14282 1 15 . 1 1 40 40 GLN HA H 40 4.040 4.040 4.085 -0.045 17717 14283 1 15 . 1 1 40 40 GLN CA C 40 57.471 57.471 58.516 -1.045 17717 14284 1 15 . 1 1 40 40 GLN CB C 40 28.777 28.777 28.393 0.384 17717 14285 1 15 . 1 1 40 40 GLN H H 40 7.630 7.630 7.698 -0.068 17717 14286 1 15 . 1 1 41 41 LEU N N 41 116.800 116.800 121.983 -5.183 17717 14287 1 15 . 1 1 41 41 LEU HA H 41 4.222 4.222 3.987 0.235 17717 14288 1 15 . 1 1 41 41 LEU CA C 41 55.400 55.400 58.149 -2.749 17717 14289 1 15 . 1 1 41 41 LEU CB C 41 41.754 41.754 42.104 -0.350 17717 14290 1 15 . 1 1 41 41 LEU H H 41 8.010 8.010 7.795 0.215 17717 14291 1 15 . 1 1 42 42 ASN N N 42 115.840 115.840 117.361 -1.521 17717 14292 1 15 . 1 1 42 42 ASN HA H 42 4.485 4.485 4.339 0.146 17717 14293 1 15 . 1 1 42 42 ASN CA C 42 53.500 53.500 56.277 -2.777 17717 14294 1 15 . 1 1 42 42 ASN CB C 42 37.000 37.000 38.580 -1.580 17717 14295 1 15 . 1 1 42 42 ASN H H 42 7.840 7.840 7.805 0.035 17717 14296 1 15 . 1 1 43 43 LEU N N 43 118.490 118.490 120.790 -2.300 17717 14297 1 15 . 1 1 43 43 LEU HA H 43 4.480 4.480 3.898 0.582 17717 14298 1 15 . 1 1 43 43 LEU CA C 43 55.502 55.502 57.544 -2.042 17717 14299 1 15 . 1 1 43 43 LEU CB C 43 41.200 41.200 41.025 0.175 17717 14300 1 15 . 1 1 43 43 LEU H H 43 9.670 9.670 7.925 1.745 17717 14301 1 15 . 1 1 44 44 ASN N N 44 119.553 119.553 117.470 2.083 17717 14302 1 15 . 1 1 44 44 ASN HA H 44 4.520 4.520 4.518 0.002 17717 14303 1 15 . 1 1 44 44 ASN CA C 44 52.770 52.770 56.715 -3.945 17717 14304 1 15 . 1 1 44 44 ASN CB C 44 36.200 36.200 38.418 -2.218 17717 14305 1 15 . 1 1 44 44 ASN H H 44 8.950 8.950 8.037 0.913 17717 14306 1 15 . 1 1 45 45 LEU N N 45 119.553 119.553 117.596 1.957 17717 14307 1 15 . 1 1 45 45 LEU HA H 45 4.048 4.048 4.261 -0.213 17717 14308 1 15 . 1 1 45 45 LEU CA C 45 55.569 55.569 57.587 -2.018 17717 14309 1 15 . 1 1 45 45 LEU CB C 45 41.250 41.250 41.483 -0.232 17717 14310 1 15 . 1 1 45 45 LEU H H 45 8.970 8.970 7.387 1.583 17717 14311 1 15 . 1 1 46 46 LEU N N 46 116.900 116.900 119.492 -2.592 17717 14312 1 15 . 1 1 46 46 LEU HA H 46 4.351 4.351 4.187 0.164 17717 14313 1 15 . 1 1 46 46 LEU CA C 46 54.684 54.684 57.699 -3.015 17717 14314 1 15 . 1 1 46 46 LEU CB C 46 39.800 39.800 42.585 -2.785 17717 14315 1 15 . 1 1 46 46 LEU H H 46 8.450 8.450 7.118 1.332 17717 14316 1 15 . 1 1 47 47 GLU N N 47 122.741 122.741 119.156 3.585 17717 14317 1 15 . 1 1 47 47 GLU HA H 47 4.018 4.018 3.981 0.037 17717 14318 1 15 . 1 1 47 47 GLU CA C 47 58.280 58.280 59.233 -0.953 17717 14319 1 15 . 1 1 47 47 GLU CB C 47 28.800 28.800 28.877 -0.077 17717 14320 1 15 . 1 1 47 47 GLU H H 47 7.490 7.490 8.444 -0.954 17717 14321 1 15 . 1 1 48 48 ASN N N 48 117.200 117.200 119.465 -2.265 17717 14322 1 15 . 1 1 48 48 ASN HA H 48 4.300 4.300 4.474 -0.174 17717 14323 1 15 . 1 1 48 48 ASN CA C 48 53.550 53.550 55.778 -2.228 17717 14324 1 15 . 1 1 48 48 ASN CB C 48 38.490 38.490 38.408 0.082 17717 14325 1 15 . 1 1 48 48 ASN H H 48 8.450 8.450 8.559 -0.109 17717 14326 1 15 . 1 1 49 49 TRP N N 49 119.320 119.320 118.895 0.425 17717 14327 1 15 . 1 1 49 49 TRP HA H 49 4.300 4.300 4.563 -0.263 17717 14328 1 15 . 1 1 49 49 TRP CA C 49 56.200 56.200 59.199 -2.999 17717 14329 1 15 . 1 1 49 49 TRP CB C 49 27.800 27.800 29.821 -2.021 17717 14330 1 15 . 1 1 49 49 TRP H H 49 8.050 8.050 7.772 0.278 17717 14331 1 15 . 1 1 50 50 ASP N N 50 124.860 124.860 118.129 6.731 17717 14332 1 15 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.363 0.327 17717 14333 1 15 . 1 1 50 50 ASP CA C 50 54.180 54.180 56.367 -2.187 17717 14334 1 15 . 1 1 50 50 ASP CB C 50 40.318 40.318 42.164 -1.846 17717 14335 1 15 . 1 1 50 50 ASP H H 50 8.470 8.470 7.657 0.813 17717 14336 1 15 . 1 1 51 51 THR N N 51 114.240 114.240 112.418 1.822 17717 14337 1 15 . 1 1 51 51 THR HA H 51 4.250 4.250 4.337 -0.087 17717 14338 1 15 . 1 1 51 51 THR CA C 51 61.800 61.800 62.264 -0.465 17717 14339 1 15 . 1 1 51 51 THR CB C 51 69.000 69.000 68.878 0.122 17717 14340 1 15 . 1 1 51 51 THR H H 51 7.920 7.920 8.253 -0.333 17717 14341 1 15 . 1 1 52 52 LEU N N 52 124.335 124.335 120.994 3.341 17717 14342 1 15 . 1 1 52 52 LEU HA H 52 4.261 4.261 4.137 0.124 17717 14343 1 15 . 1 1 52 52 LEU CA C 52 54.800 54.800 55.930 -1.130 17717 14344 1 15 . 1 1 52 52 LEU CB C 52 41.200 41.200 41.008 0.192 17717 14345 1 15 . 1 1 52 52 LEU H H 52 8.000 8.000 8.413 -0.413 17717 14346 1 15 . 1 1 53 53 GLY N N 53 109.991 109.991 108.606 1.385 17717 14347 1 15 . 1 1 53 53 GLY CA C 53 44.700 44.700 45.084 -0.384 17717 14348 1 15 . 1 1 53 53 GLY H H 53 8.450 8.450 8.535 -0.085 17717 14349 1 15 . 1 1 54 54 SER N N 54 113.710 113.710 113.742 -0.032 17717 14350 1 15 . 1 1 54 54 SER HA H 54 4.480 4.480 4.421 0.059 17717 14351 1 15 . 1 1 54 54 SER CA C 54 57.300 57.300 58.351 -1.051 17717 14352 1 15 . 1 1 54 54 SER CB C 54 63.100 63.100 64.424 -1.324 17717 14353 1 15 . 1 1 54 54 SER H H 54 8.060 8.060 8.063 -0.003 17717 14354 1 15 . 1 1 55 55 THR N N 55 116.897 116.897 117.221 -0.324 17717 14355 1 15 . 1 1 55 55 THR HA H 55 4.044 4.044 4.595 -0.551 17717 14356 1 15 . 1 1 55 55 THR CA C 55 61.700 61.700 63.093 -1.393 17717 14357 1 15 . 1 1 55 55 THR CB C 55 69.800 69.800 70.587 -0.786 17717 14358 1 15 . 1 1 55 55 THR H H 55 8.210 8.210 8.716 -0.506 17717 14359 1 15 . 1 1 56 56 VAL N N 56 123.300 123.300 115.354 7.946 17717 14360 1 15 . 1 1 56 56 VAL HA H 56 3.793 3.793 4.496 -0.703 17717 14361 1 15 . 1 1 56 56 VAL CA C 56 66.384 66.384 61.931 4.453 17717 14362 1 15 . 1 1 56 56 VAL CB C 56 30.268 30.268 31.875 -1.607 17717 14363 1 15 . 1 1 56 56 VAL H H 56 8.280 8.280 7.589 0.691 17717 14364 1 15 . 1 1 57 57 SER N N 57 117.429 117.429 118.445 -1.016 17717 14365 1 15 . 1 1 57 57 SER HA H 57 4.136 4.136 4.492 -0.356 17717 14366 1 15 . 1 1 57 57 SER CA C 57 61.100 61.100 59.986 1.114 17717 14367 1 15 . 1 1 57 57 SER CB C 57 62.800 62.800 63.805 -1.005 17717 14368 1 15 . 1 1 57 57 SER H H 57 7.850 7.850 8.636 -0.786 17717 14369 1 15 . 1 1 58 58 GLN N N 58 128.580 128.580 117.518 11.062 17717 14370 1 15 . 1 1 58 58 GLN HA H 58 4.260 4.260 4.267 -0.007 17717 14371 1 15 . 1 1 58 58 GLN CA C 58 56.642 56.642 57.961 -1.319 17717 14372 1 15 . 1 1 58 58 GLN CB C 58 29.023 29.023 29.211 -0.188 17717 14373 1 15 . 1 1 58 58 GLN H H 58 7.990 7.990 8.087 -0.097 17717 14374 1 15 . 1 1 59 59 LEU N N 59 122.210 122.210 120.243 1.967 17717 14375 1 15 . 1 1 59 59 LEU HA H 59 4.310 4.310 4.086 0.224 17717 14376 1 15 . 1 1 59 59 LEU CA C 59 55.300 55.300 59.670 -4.370 17717 14377 1 15 . 1 1 59 59 LEU CB C 59 41.160 41.160 41.243 -0.083 17717 14378 1 15 . 1 1 59 59 LEU H H 59 8.050 8.050 8.655 -0.605 17717 14379 1 15 . 1 1 60 60 GLN N N 60 120.085 120.085 118.638 1.447 17717 14380 1 15 . 1 1 60 60 GLN HA H 60 4.222 4.222 4.131 0.091 17717 14381 1 15 . 1 1 60 60 GLN CA C 60 55.960 55.960 59.434 -3.474 17717 14382 1 15 . 1 1 60 60 GLN CB C 60 27.900 27.900 27.971 -0.071 17717 14383 1 15 . 1 1 60 60 GLN H H 60 8.210 8.210 8.592 -0.382 17717 14384 1 15 . 1 1 61 61 GLU N N 61 120.920 120.920 118.376 2.544 17717 14385 1 15 . 1 1 61 61 GLU HA H 61 4.216 4.216 3.989 0.227 17717 14386 1 15 . 1 1 61 61 GLU CA C 61 56.900 56.900 59.357 -2.457 17717 14387 1 15 . 1 1 61 61 GLU CB C 61 28.500 28.500 29.216 -0.716 17717 14388 1 15 . 1 1 61 61 GLU H H 61 8.590 8.590 8.695 -0.105 17717 14389 1 15 . 1 1 62 62 ARG N N 62 118.833 118.833 118.474 0.359 17717 14390 1 15 . 1 1 62 62 ARG HA H 62 4.161 4.161 4.218 -0.057 17717 14391 1 15 . 1 1 62 62 ARG CA C 62 58.030 58.030 57.488 0.542 17717 14392 1 15 . 1 1 62 62 ARG CB C 62 29.400 29.400 29.973 -0.573 17717 14393 1 15 . 1 1 62 62 ARG H H 62 7.680 7.680 8.221 -0.541 17717 14394 1 15 . 1 1 63 63 LEU N N 63 118.790 118.790 120.262 -1.472 17717 14395 1 15 . 1 1 63 63 LEU HA H 63 4.100 4.100 4.084 0.016 17717 14396 1 15 . 1 1 63 63 LEU CA C 63 56.360 56.360 57.593 -1.233 17717 14397 1 15 . 1 1 63 63 LEU CB C 63 41.130 41.130 41.360 -0.230 17717 14398 1 15 . 1 1 63 63 LEU H H 63 8.320 8.320 7.852 0.468 17717 14399 1 15 . 1 1 64 64 GLY N N 64 104.679 104.679 108.112 -3.433 17717 14400 1 15 . 1 1 64 64 GLY CA C 64 44.145 44.145 47.992 -3.847 17717 14401 1 15 . 1 1 64 64 GLY H H 64 7.220 7.220 8.263 -1.043 17717 14402 1 15 . 1 1 65 65 PRO CA C 65 62.817 62.817 64.789 -1.972 17717 14403 1 15 . 1 1 65 65 PRO CB C 65 31.290 31.290 31.394 -0.104 17717 14404 1 15 . 1 1 66 66 LEU N N 66 124.866 124.866 120.821 4.045 17717 14405 1 15 . 1 1 66 66 LEU HA H 66 4.609 4.609 4.163 0.446 17717 14406 1 15 . 1 1 66 66 LEU CA C 66 52.900 52.900 58.650 -5.750 17717 14407 1 15 . 1 1 66 66 LEU CB C 66 43.200 43.200 41.056 2.144 17717 14408 1 15 . 1 1 66 66 LEU H H 66 8.550 8.550 8.036 0.514 17717 14409 1 15 . 1 1 67 67 THR N N 67 112.116 112.116 112.959 -0.843 17717 14410 1 15 . 1 1 67 67 THR HA H 67 4.824 4.824 4.392 0.432 17717 14411 1 15 . 1 1 67 67 THR CA C 67 59.240 59.240 66.138 -6.898 17717 14412 1 15 . 1 1 67 67 THR CB C 67 71.550 71.550 68.955 2.595 17717 14413 1 15 . 1 1 67 67 THR H H 67 7.650 7.650 7.818 -0.168 17717 14414 1 15 . 1 1 68 68 ARG N N 68 120.085 120.085 119.858 0.227 17717 14415 1 15 . 1 1 68 68 ARG HA H 68 4.230 4.230 3.961 0.269 17717 14416 1 15 . 1 1 68 68 ARG CA C 68 58.600 58.600 59.272 -0.672 17717 14417 1 15 . 1 1 68 68 ARG CB C 68 28.900 28.900 30.057 -1.157 17717 14418 1 15 . 1 1 68 68 ARG H H 68 8.950 8.950 7.486 1.464 17717 14419 1 15 . 1 1 69 69 ASP N N 69 116.366 116.366 120.078 -3.712 17717 14420 1 15 . 1 1 69 69 ASP HA H 69 4.249 4.249 4.350 -0.101 17717 14421 1 15 . 1 1 69 69 ASP CA C 69 56.100 56.100 58.235 -2.135 17717 14422 1 15 . 1 1 69 69 ASP CB C 69 39.550 39.550 40.586 -1.036 17717 14423 1 15 . 1 1 69 69 ASP H H 69 8.100 8.100 7.794 0.306 17717 14424 1 15 . 1 1 70 70 PHE N N 70 119.553 119.553 118.783 0.770 17717 14425 1 15 . 1 1 70 70 PHE HA H 70 4.090 4.090 3.984 0.106 17717 14426 1 15 . 1 1 70 70 PHE CA C 70 60.700 60.700 59.401 1.299 17717 14427 1 15 . 1 1 70 70 PHE CB C 70 38.100 38.100 37.708 0.392 17717 14428 1 15 . 1 1 70 70 PHE H H 70 7.420 7.420 7.191 0.229 17717 14429 1 15 . 1 1 71 71 TRP N N 71 120.085 120.085 122.402 -2.317 17717 14430 1 15 . 1 1 71 71 TRP HA H 71 4.044 4.044 3.318 0.726 17717 14431 1 15 . 1 1 71 71 TRP CA C 71 58.100 58.100 61.533 -3.433 17717 14432 1 15 . 1 1 71 71 TRP CB C 71 28.100 28.100 28.755 -0.655 17717 14433 1 15 . 1 1 71 71 TRP H H 71 6.950 6.950 7.053 -0.103 17717 14434 1 15 . 1 1 72 72 ASP N N 72 121.450 121.450 117.731 3.719 17717 14435 1 15 . 1 1 72 72 ASP HA H 72 4.310 4.310 3.398 0.912 17717 14436 1 15 . 1 1 72 72 ASP CA C 72 55.350 55.350 56.630 -1.280 17717 14437 1 15 . 1 1 72 72 ASP CB C 72 40.000 40.000 40.389 -0.389 17717 14438 1 15 . 1 1 72 72 ASP H H 72 8.350 8.350 7.801 0.549 17717 14439 1 15 . 1 1 73 73 ASN N N 73 117.200 117.200 118.436 -1.236 17717 14440 1 15 . 1 1 73 73 ASN HA H 73 4.220 4.220 4.374 -0.154 17717 14441 1 15 . 1 1 73 73 ASN CA C 73 54.500 54.500 56.448 -1.948 17717 14442 1 15 . 1 1 73 73 ASN CB C 73 40.000 40.000 38.860 1.140 17717 14443 1 15 . 1 1 73 73 ASN H H 73 7.700 7.700 7.743 -0.043 17717 14444 1 15 . 1 1 74 74 LEU N N 74 123.600 123.600 119.947 3.653 17717 14445 1 15 . 1 1 74 74 LEU HA H 74 4.350 4.350 4.422 -0.072 17717 14446 1 15 . 1 1 74 74 LEU CA C 74 54.700 54.700 57.728 -3.028 17717 14447 1 15 . 1 1 74 74 LEU CB C 74 41.400 41.400 42.242 -0.842 17717 14448 1 15 . 1 1 74 74 LEU H H 74 8.330 8.330 8.417 -0.087 17717 14449 1 15 . 1 1 75 75 GLU N N 75 121.400 121.400 120.690 0.710 17717 14450 1 15 . 1 1 75 75 GLU HA H 75 4.000 4.000 3.797 0.203 17717 14451 1 15 . 1 1 75 75 GLU CA C 75 58.200 58.200 59.131 -0.931 17717 14452 1 15 . 1 1 75 75 GLU CB C 75 28.400 28.400 28.744 -0.344 17717 14453 1 15 . 1 1 75 75 GLU H H 75 8.600 8.600 8.330 0.270 17717 14454 1 15 . 1 1 76 76 LYS N N 76 118.000 118.000 118.691 -0.691 17717 14455 1 15 . 1 1 76 76 LYS HA H 76 4.117 4.117 4.100 0.017 17717 14456 1 15 . 1 1 76 76 LYS CA C 76 58.400 58.400 58.938 -0.538 17717 14457 1 15 . 1 1 76 76 LYS CB C 76 32.480 32.480 32.500 -0.020 17717 14458 1 15 . 1 1 76 76 LYS H H 76 7.690 7.690 7.398 0.292 17717 14459 1 15 . 1 1 77 77 GLU N N 77 115.835 115.835 119.118 -3.283 17717 14460 1 15 . 1 1 77 77 GLU HA H 77 4.310 4.310 3.990 0.320 17717 14461 1 15 . 1 1 77 77 GLU CA C 77 54.785 54.785 60.168 -5.383 17717 14462 1 15 . 1 1 77 77 GLU CB C 77 28.355 28.355 29.430 -1.075 17717 14463 1 15 . 1 1 77 77 GLU H H 77 8.290 8.290 7.785 0.505 17717 14464 1 15 . 1 1 78 78 THR N N 78 120.300 120.300 112.505 7.795 17717 14465 1 15 . 1 1 78 78 THR HA H 78 4.410 4.410 3.918 0.492 17717 14466 1 15 . 1 1 78 78 THR CA C 78 68.100 68.100 66.818 1.282 17717 14467 1 15 . 1 1 78 78 THR CB C 78 69.451 69.451 68.424 1.027 17717 14468 1 15 . 1 1 78 78 THR H H 78 7.490 7.490 8.356 -0.866 17717 14469 1 15 . 1 1 79 79 ASP N N 79 120.085 120.085 121.924 -1.839 17717 14470 1 15 . 1 1 79 79 ASP HA H 79 4.480 4.480 4.353 0.127 17717 14471 1 15 . 1 1 79 79 ASP CA C 79 57.426 57.426 57.328 0.098 17717 14472 1 15 . 1 1 79 79 ASP CB C 79 39.240 39.240 40.808 -1.568 17717 14473 1 15 . 1 1 79 79 ASP H H 79 8.880 8.880 7.761 1.119 17717 14474 1 15 . 1 1 80 80 TRP N N 80 123.803 123.803 121.689 2.114 17717 14475 1 15 . 1 1 80 80 TRP HA H 80 4.280 4.280 4.428 -0.148 17717 14476 1 15 . 1 1 80 80 TRP CA C 80 60.660 60.660 61.396 -0.736 17717 14477 1 15 . 1 1 80 80 TRP CB C 80 27.000 27.000 30.507 -3.507 17717 14478 1 15 . 1 1 80 80 TRP H H 80 7.760 7.760 7.966 -0.206 17717 14479 1 15 . 1 1 81 81 VAL N N 81 118.790 118.790 117.536 1.254 17717 14480 1 15 . 1 1 81 81 VAL HA H 81 4.280 4.280 3.864 0.416 17717 14481 1 15 . 1 1 81 81 VAL CA C 81 61.200 61.200 66.344 -5.144 17717 14482 1 15 . 1 1 81 81 VAL CB C 81 29.900 29.900 31.758 -1.858 17717 14483 1 15 . 1 1 81 81 VAL H H 81 8.160 8.160 9.030 -0.870 17717 14484 1 15 . 1 1 82 82 ARG N N 82 119.190 119.190 119.512 -0.322 17717 14485 1 15 . 1 1 82 82 ARG HA H 82 4.480 4.480 3.975 0.505 17717 14486 1 15 . 1 1 82 82 ARG CA C 82 58.400 58.400 59.412 -1.012 17717 14487 1 15 . 1 1 82 82 ARG CB C 82 29.800 29.800 29.955 -0.155 17717 14488 1 15 . 1 1 82 82 ARG H H 82 7.100 7.100 8.492 -1.392 17717 14489 1 15 . 1 1 83 83 GLN N N 83 117.960 117.960 118.444 -0.484 17717 14490 1 15 . 1 1 83 83 GLN HA H 83 4.222 4.222 3.950 0.272 17717 14491 1 15 . 1 1 83 83 GLN CA C 83 55.600 55.600 58.848 -3.248 17717 14492 1 15 . 1 1 83 83 GLN CB C 83 28.550 28.550 28.413 0.137 17717 14493 1 15 . 1 1 83 83 GLN H H 83 8.050 8.050 7.610 0.440 17717 14494 1 15 . 1 1 84 84 GLU N N 84 119.022 119.022 119.156 -0.134 17717 14495 1 15 . 1 1 84 84 GLU HA H 84 4.100 4.100 3.902 0.198 17717 14496 1 15 . 1 1 84 84 GLU CA C 84 57.300 57.300 58.616 -1.316 17717 14497 1 15 . 1 1 84 84 GLU CB C 84 28.600 28.600 28.878 -0.278 17717 14498 1 15 . 1 1 84 84 GLU H H 84 7.920 7.920 8.248 -0.328 17717 14499 1 15 . 1 1 85 85 MET N N 85 117.565 117.565 119.514 -1.949 17717 14500 1 15 . 1 1 85 85 MET HA H 85 4.265 4.265 4.025 0.240 17717 14501 1 15 . 1 1 85 85 MET CA C 85 55.020 55.020 58.925 -3.905 17717 14502 1 15 . 1 1 85 85 MET CB C 85 33.000 33.000 32.195 0.805 17717 14503 1 15 . 1 1 85 85 MET H H 85 8.230 8.230 7.813 0.417 17717 14504 1 15 . 1 1 86 86 ASN N N 86 119.022 119.022 116.617 2.405 17717 14505 1 15 . 1 1 86 86 ASN HA H 86 4.570 4.570 4.540 0.030 17717 14506 1 15 . 1 1 86 86 ASN CA C 86 56.000 56.000 55.810 0.190 17717 14507 1 15 . 1 1 86 86 ASN CB C 86 37.700 37.700 38.807 -1.107 17717 14508 1 15 . 1 1 86 86 ASN H H 86 8.600 8.600 7.626 0.974 17717 14509 1 15 . 1 1 87 87 LYS N N 87 120.273 120.273 120.769 -0.496 17717 14510 1 15 . 1 1 87 87 LYS HA H 87 4.100 4.100 3.920 0.180 17717 14511 1 15 . 1 1 87 87 LYS CA C 87 59.000 59.000 59.844 -0.844 17717 14512 1 15 . 1 1 87 87 LYS CB C 87 30.900 30.900 32.227 -1.327 17717 14513 1 15 . 1 1 87 87 LYS H H 87 7.220 7.220 7.946 -0.726 17717 14514 1 15 . 1 1 88 88 ASP N N 88 121.147 121.147 119.361 1.786 17717 14515 1 15 . 1 1 88 88 ASP HA H 88 4.480 4.480 4.369 0.111 17717 14516 1 15 . 1 1 88 88 ASP CA C 88 56.840 56.840 57.352 -0.512 17717 14517 1 15 . 1 1 88 88 ASP CB C 88 39.450 39.450 40.555 -1.105 17717 14518 1 15 . 1 1 88 88 ASP H H 88 7.390 7.390 8.057 -0.667 17717 14519 1 15 . 1 1 89 89 LEU N N 89 122.741 122.741 119.574 3.167 17717 14520 1 15 . 1 1 89 89 LEU HA H 89 4.470 4.470 3.930 0.540 17717 14521 1 15 . 1 1 89 89 LEU CA C 89 57.000 57.000 58.398 -1.399 17717 14522 1 15 . 1 1 89 89 LEU CB C 89 41.000 41.000 42.090 -1.090 17717 14523 1 15 . 1 1 89 89 LEU H H 89 8.910 8.910 7.499 1.411 17717 14524 1 15 . 1 1 90 90 GLU N N 90 119.553 119.553 117.609 1.944 17717 14525 1 15 . 1 1 90 90 GLU HA H 90 4.050 4.050 4.127 -0.077 17717 14526 1 15 . 1 1 90 90 GLU CA C 90 59.100 59.100 58.435 0.665 17717 14527 1 15 . 1 1 90 90 GLU CB C 90 28.556 28.556 29.591 -1.035 17717 14528 1 15 . 1 1 90 90 GLU H H 90 8.260 8.260 7.874 0.386 17717 14529 1 15 . 1 1 91 91 GLU N N 91 119.190 119.190 120.176 -0.986 17717 14530 1 15 . 1 1 91 91 GLU HA H 91 4.136 4.136 4.125 0.011 17717 14531 1 15 . 1 1 91 91 GLU CA C 91 58.600 58.600 59.320 -0.720 17717 14532 1 15 . 1 1 91 91 GLU CB C 91 28.600 28.600 29.981 -1.381 17717 14533 1 15 . 1 1 91 91 GLU H H 91 7.470 7.470 8.176 -0.706 17717 14534 1 15 . 1 1 92 92 VAL N N 92 122.230 122.230 115.782 6.448 17717 14535 1 15 . 1 1 92 92 VAL HA H 92 3.837 3.837 3.880 -0.043 17717 14536 1 15 . 1 1 92 92 VAL CA C 92 65.900 65.900 66.443 -0.543 17717 14537 1 15 . 1 1 92 92 VAL CB C 92 29.200 29.200 32.011 -2.811 17717 14538 1 15 . 1 1 92 92 VAL H H 92 8.420 8.420 8.257 0.163 17717 14539 1 15 . 1 1 93 93 LYS N N 93 121.300 121.300 118.769 2.531 17717 14540 1 15 . 1 1 93 93 LYS HA H 93 3.836 3.836 4.142 -0.306 17717 14541 1 15 . 1 1 93 93 LYS CA C 93 59.900 59.900 58.744 1.156 17717 14542 1 15 . 1 1 93 93 LYS CB C 93 31.277 31.277 31.874 -0.597 17717 14543 1 15 . 1 1 93 93 LYS H H 93 9.000 9.000 7.688 1.312 17717 14544 1 15 . 1 1 94 94 GLN N N 94 116.900 116.900 117.161 -0.261 17717 14545 1 15 . 1 1 94 94 GLN HA H 94 4.094 4.094 4.328 -0.234 17717 14546 1 15 . 1 1 94 94 GLN CA C 94 57.731 57.731 57.928 -0.198 17717 14547 1 15 . 1 1 94 94 GLN CB C 94 27.700 27.700 28.448 -0.748 17717 14548 1 15 . 1 1 94 94 GLN H H 94 7.320 7.320 7.742 -0.422 17717 14549 1 15 . 1 1 95 95 LYS N N 95 119.190 119.190 119.515 -0.325 17717 14550 1 15 . 1 1 95 95 LYS HA H 95 4.137 4.137 4.258 -0.121 17717 14551 1 15 . 1 1 95 95 LYS CA C 95 57.700 57.700 58.037 -0.337 17717 14552 1 15 . 1 1 95 95 LYS CB C 95 31.800 31.800 33.238 -1.438 17717 14553 1 15 . 1 1 95 95 LYS H H 95 7.590 7.590 7.680 -0.090 17717 14554 1 15 . 1 1 96 96 VAL N N 96 111.000 111.000 116.232 -5.232 17717 14555 1 15 . 1 1 96 96 VAL HA H 96 4.138 4.138 3.460 0.678 17717 14556 1 15 . 1 1 96 96 VAL CA C 96 61.600 61.600 65.626 -4.027 17717 14557 1 15 . 1 1 96 96 VAL CB C 96 31.500 31.500 31.473 0.027 17717 14558 1 15 . 1 1 96 96 VAL H H 96 7.960 7.960 7.638 0.322 17717 14559 1 15 . 1 1 97 97 GLN N N 97 122.210 122.210 119.106 3.104 17717 14560 1 15 . 1 1 97 97 GLN HA H 97 4.030 4.030 4.230 -0.200 17717 14561 1 15 . 1 1 97 97 GLN CA C 97 59.226 59.226 57.933 1.293 17717 14562 1 15 . 1 1 97 97 GLN CB C 97 24.578 24.578 26.593 -2.015 17717 14563 1 15 . 1 1 97 97 GLN H H 97 7.380 7.380 8.275 -0.895 17717 14564 1 15 . 1 1 98 98 PRO CA C 98 65.400 65.400 63.197 2.203 17717 14565 1 15 . 1 1 98 98 PRO CB C 98 30.336 30.336 32.217 -1.881 17717 14566 1 15 . 1 1 99 99 TYR N N 99 116.900 116.900 116.903 -0.003 17717 14567 1 15 . 1 1 99 99 TYR HA H 99 4.480 4.480 4.130 0.350 17717 14568 1 15 . 1 1 99 99 TYR CA C 99 58.446 58.446 59.105 -0.659 17717 14569 1 15 . 1 1 99 99 TYR CB C 99 36.344 36.344 37.150 -0.806 17717 14570 1 15 . 1 1 99 99 TYR H H 99 7.100 7.100 7.900 -0.800 17717 14571 1 15 . 1 1 100 100 LEU N N 100 123.270 123.270 122.970 0.300 17717 14572 1 15 . 1 1 100 100 LEU HA H 100 3.964 3.964 4.726 -0.762 17717 14573 1 15 . 1 1 100 100 LEU CA C 100 57.300 57.300 54.895 2.405 17717 14574 1 15 . 1 1 100 100 LEU CB C 100 40.950 40.950 42.873 -1.923 17717 14575 1 15 . 1 1 100 100 LEU H H 100 7.500 7.500 7.772 -0.272 17717 14576 1 15 . 1 1 101 101 ASP N N 101 119.500 119.500 119.307 0.193 17717 14577 1 15 . 1 1 101 101 ASP HA H 101 3.810 3.810 4.678 -0.868 17717 14578 1 15 . 1 1 101 101 ASP CA C 101 58.200 58.200 54.410 3.790 17717 14579 1 15 . 1 1 101 101 ASP CB C 101 39.100 39.100 40.147 -1.046 17717 14580 1 15 . 1 1 101 101 ASP H H 101 8.450 8.450 8.099 0.351 17717 14581 1 15 . 1 1 102 102 GLU N N 102 121.221 121.221 121.714 -0.493 17717 14582 1 15 . 1 1 102 102 GLU HA H 102 4.222 4.222 3.914 0.308 17717 14583 1 15 . 1 1 102 102 GLU CA C 102 59.200 59.200 59.435 -0.235 17717 14584 1 15 . 1 1 102 102 GLU CB C 102 31.100 31.100 29.158 1.942 17717 14585 1 15 . 1 1 102 102 GLU H H 102 8.190 8.190 8.632 -0.442 17717 14586 1 15 . 1 1 103 103 PHE N N 103 124.065 124.065 118.600 5.465 17717 14587 1 15 . 1 1 103 103 PHE HA H 103 4.520 4.520 4.325 0.195 17717 14588 1 15 . 1 1 103 103 PHE CA C 103 57.183 57.183 60.628 -3.445 17717 14589 1 15 . 1 1 103 103 PHE CB C 103 38.608 38.608 37.616 0.992 17717 14590 1 15 . 1 1 103 103 PHE H H 103 8.170 8.170 7.120 1.050 17717 14591 1 15 . 1 1 104 104 GLN N N 104 123.272 123.272 118.302 4.970 17717 14592 1 15 . 1 1 104 104 GLN HA H 104 4.222 4.222 4.108 0.114 17717 14593 1 15 . 1 1 104 104 GLN CA C 104 55.460 55.460 58.700 -3.240 17717 14594 1 15 . 1 1 104 104 GLN CB C 104 29.200 29.200 28.482 0.718 17717 14595 1 15 . 1 1 104 104 GLN H H 104 8.030 8.030 8.478 -0.448 17717 14596 1 15 . 1 1 105 105 LYS N N 105 119.600 119.600 121.214 -1.614 17717 14597 1 15 . 1 1 105 105 LYS HA H 105 4.136 4.136 4.113 0.023 17717 14598 1 15 . 1 1 105 105 LYS CA C 105 57.830 57.830 59.066 -1.236 17717 14599 1 15 . 1 1 105 105 LYS CB C 105 32.220 32.220 32.112 0.108 17717 14600 1 15 . 1 1 105 105 LYS H H 105 7.800 7.800 8.459 -0.659 17717 14601 1 15 . 1 1 106 106 LYS N N 106 117.960 117.960 121.309 -3.349 17717 14602 1 15 . 1 1 106 106 LYS HA H 106 4.093 4.093 4.062 0.031 17717 14603 1 15 . 1 1 106 106 LYS CA C 106 57.860 57.860 59.378 -1.518 17717 14604 1 15 . 1 1 106 106 LYS CB C 106 32.080 32.080 31.792 0.288 17717 14605 1 15 . 1 1 106 106 LYS H H 106 7.740 7.740 7.953 -0.213 17717 14606 1 15 . 1 1 107 107 TRP N N 107 119.320 119.320 119.556 -0.236 17717 14607 1 15 . 1 1 107 107 TRP HA H 107 4.310 4.310 4.315 -0.005 17717 14608 1 15 . 1 1 107 107 TRP CA C 107 54.900 54.900 60.009 -5.109 17717 14609 1 15 . 1 1 107 107 TRP CB C 107 28.400 28.400 29.450 -1.050 17717 14610 1 15 . 1 1 107 107 TRP H H 107 8.390 8.390 7.686 0.704 17717 14611 1 15 . 1 1 108 108 LYS N N 108 120.390 120.390 119.573 0.817 17717 14612 1 15 . 1 1 108 108 LYS HA H 108 4.350 4.350 3.852 0.498 17717 14613 1 15 . 1 1 108 108 LYS CA C 108 58.170 58.170 58.202 -0.032 17717 14614 1 15 . 1 1 108 108 LYS CB C 108 30.250 30.250 32.030 -1.780 17717 14615 1 15 . 1 1 108 108 LYS H H 108 7.420 7.420 7.952 -0.532 17717 14616 1 15 . 1 1 109 109 GLU N N 109 120.220 120.220 119.808 0.412 17717 14617 1 15 . 1 1 109 109 GLU HA H 109 3.922 3.922 4.034 -0.112 17717 14618 1 15 . 1 1 109 109 GLU CA C 109 58.230 58.230 59.164 -0.934 17717 14619 1 15 . 1 1 109 109 GLU CB C 109 29.230 29.230 29.579 -0.349 17717 14620 1 15 . 1 1 109 109 GLU H H 109 7.800 7.800 7.521 0.279 17717 14621 1 15 . 1 1 110 110 ASP N N 110 121.678 121.678 120.010 1.668 17717 14622 1 15 . 1 1 110 110 ASP HA H 110 4.096 4.096 4.256 -0.160 17717 14623 1 15 . 1 1 110 110 ASP CA C 110 57.514 57.514 57.270 0.244 17717 14624 1 15 . 1 1 110 110 ASP CB C 110 40.005 40.005 40.556 -0.551 17717 14625 1 15 . 1 1 110 110 ASP H H 110 8.220 8.220 8.460 -0.240 17717 14626 1 15 . 1 1 111 111 VAL N N 111 123.537 123.537 117.827 5.710 17717 14627 1 15 . 1 1 111 111 VAL CA C 111 66.380 66.380 65.994 0.386 17717 14628 1 15 . 1 1 111 111 VAL CB C 111 30.800 30.800 30.975 -0.175 17717 14629 1 15 . 1 1 111 111 VAL H H 111 9.170 9.170 7.270 1.900 17717 14630 1 15 . 1 1 112 112 GLU N N 112 120.200 120.200 120.877 -0.677 17717 14631 1 15 . 1 1 112 112 GLU HA H 112 4.179 4.179 3.992 0.187 17717 14632 1 15 . 1 1 112 112 GLU CA C 112 58.431 58.431 59.353 -0.923 17717 14633 1 15 . 1 1 112 112 GLU CB C 112 27.878 27.878 29.342 -1.464 17717 14634 1 15 . 1 1 112 112 GLU H H 112 7.540 7.540 7.509 0.031 17717 14635 1 15 . 1 1 113 113 LEU N N 113 120.815 120.815 118.780 2.035 17717 14636 1 15 . 1 1 113 113 LEU HA H 113 4.439 4.439 3.819 0.620 17717 14637 1 15 . 1 1 113 113 LEU CA C 113 53.800 53.800 57.758 -3.958 17717 14638 1 15 . 1 1 113 113 LEU CB C 113 41.060 41.060 40.803 0.258 17717 14639 1 15 . 1 1 113 113 LEU H H 113 7.900 7.900 7.483 0.417 17717 14640 1 15 . 1 1 114 114 TYR N N 114 120.920 120.920 120.416 0.504 17717 14641 1 15 . 1 1 114 114 TYR HA H 114 4.520 4.520 4.021 0.499 17717 14642 1 15 . 1 1 114 114 TYR CA C 114 56.942 56.942 61.474 -4.532 17717 14643 1 15 . 1 1 114 114 TYR CB C 114 37.834 37.834 38.416 -0.582 17717 14644 1 15 . 1 1 114 114 TYR H H 114 8.370 8.370 8.226 0.144 17717 14645 1 15 . 1 1 115 115 ARG N N 115 118.260 118.260 117.501 0.759 17717 14646 1 15 . 1 1 115 115 ARG HA H 115 4.820 4.820 3.693 1.127 17717 14647 1 15 . 1 1 115 115 ARG CA C 115 55.700 55.700 59.620 -3.920 17717 14648 1 15 . 1 1 115 115 ARG CB C 115 30.600 30.600 29.666 0.934 17717 14649 1 15 . 1 1 115 115 ARG H H 115 7.630 7.630 7.819 -0.189 17717 14650 1 15 . 1 1 116 116 GLN N N 116 116.670 116.670 117.119 -0.449 17717 14651 1 15 . 1 1 116 116 GLN HA H 116 4.480 4.480 4.040 0.440 17717 14652 1 15 . 1 1 116 116 GLN CA C 116 57.100 57.100 58.042 -0.942 17717 14653 1 15 . 1 1 116 116 GLN CB C 116 28.060 28.060 28.267 -0.207 17717 14654 1 15 . 1 1 116 116 GLN H H 116 7.980 7.980 7.285 0.695 17717 14655 1 15 . 1 1 117 117 LYS N N 117 119.200 119.200 120.078 -0.878 17717 14656 1 15 . 1 1 117 117 LYS HA H 117 4.211 4.211 3.864 0.347 17717 14657 1 15 . 1 1 117 117 LYS CA C 117 56.700 56.700 58.410 -1.710 17717 14658 1 15 . 1 1 117 117 LYS CB C 117 32.100 32.100 31.518 0.582 17717 14659 1 15 . 1 1 117 117 LYS H H 117 7.780 7.780 7.429 0.351 17717 14660 1 15 . 1 1 118 118 ALA N N 118 122.740 122.740 119.498 3.242 17717 14661 1 15 . 1 1 118 118 ALA HA H 118 4.179 4.179 3.763 0.416 17717 14662 1 15 . 1 1 118 118 ALA CA C 118 52.100 52.100 53.102 -1.002 17717 14663 1 15 . 1 1 118 118 ALA CB C 118 18.100 18.100 18.381 -0.281 17717 14664 1 15 . 1 1 118 118 ALA H H 118 8.100 8.100 7.870 0.230 17717 14665 1 15 . 1 1 119 119 SER N N 119 115.840 115.840 113.572 2.268 17717 14666 1 15 . 1 1 119 119 SER HA H 119 4.210 4.210 4.786 -0.576 17717 14667 1 15 . 1 1 119 119 SER CA C 119 55.900 55.900 54.126 1.774 17717 14668 1 15 . 1 1 119 119 SER CB C 119 62.900 62.900 63.580 -0.680 17717 14669 1 15 . 1 1 119 119 SER H H 119 7.800 7.800 7.294 0.506 17717 14670 1 15 . 1 1 120 120 PRO CA C 120 63.074 63.074 62.917 0.157 17717 14671 1 15 . 1 1 120 120 PRO CB C 120 31.408 31.408 32.265 -0.857 17717 14672 1 15 . 1 1 121 121 GLN N N 121 120.800 120.800 126.409 -5.609 17717 14673 1 15 . 1 1 121 121 GLN HA H 121 4.350 4.350 4.171 0.179 17717 14674 1 15 . 1 1 121 121 GLN CA C 121 55.800 55.800 58.815 -3.015 17717 14675 1 15 . 1 1 121 121 GLN CB C 121 28.300 28.300 27.817 0.483 17717 14676 1 15 . 1 1 121 121 GLN H H 121 8.450 8.450 8.355 0.095 17717 14677 1 15 . 1 1 122 122 GLY N N 122 109.991 109.991 107.009 2.982 17717 14678 1 15 . 1 1 122 122 GLY CA C 122 44.500 44.500 46.294 -1.794 17717 14679 1 15 . 1 1 122 122 GLY H H 122 8.380 8.380 8.911 -0.531 17717 14680 1 15 . 1 1 123 123 ALA N N 123 124.866 124.866 125.886 -1.020 17717 14681 1 15 . 1 1 123 123 ALA HA H 123 4.280 4.280 4.211 0.069 17717 14682 1 15 . 1 1 123 123 ALA CA C 123 52.440 52.440 54.597 -2.157 17717 14683 1 15 . 1 1 123 123 ALA CB C 123 18.530 18.530 18.558 -0.028 17717 14684 1 15 . 1 1 123 123 ALA H H 123 8.200 8.200 7.859 0.341 17717 14685 1 15 . 1 1 124 124 GLU N N 124 120.000 120.000 117.810 2.190 17717 14686 1 15 . 1 1 124 124 GLU HA H 124 4.265 4.265 4.102 0.163 17717 14687 1 15 . 1 1 124 124 GLU CA C 124 56.533 56.533 58.278 -1.745 17717 14688 1 15 . 1 1 124 124 GLU CB C 124 29.150 29.150 29.526 -0.376 17717 14689 1 15 . 1 1 124 124 GLU H H 124 8.510 8.510 7.670 0.840 17717 14690 1 15 . 1 1 125 125 LEU N N 125 122.740 122.740 123.766 -1.026 17717 14691 1 15 . 1 1 125 125 LEU HA H 125 4.222 4.222 4.057 0.165 17717 14692 1 15 . 1 1 125 125 LEU CA C 125 55.600 55.600 58.090 -2.490 17717 14693 1 15 . 1 1 125 125 LEU CB C 125 41.500 41.500 41.855 -0.354 17717 14694 1 15 . 1 1 125 125 LEU H H 125 8.110 8.110 8.433 -0.323 17717 14695 1 15 . 1 1 126 126 GLN N N 126 120.616 120.616 116.144 4.472 17717 14696 1 15 . 1 1 126 126 GLN HA H 126 4.140 4.140 4.108 0.032 17717 14697 1 15 . 1 1 126 126 GLN CA C 126 56.600 56.600 57.934 -1.334 17717 14698 1 15 . 1 1 126 126 GLN CB C 126 28.200 28.200 28.438 -0.238 17717 14699 1 15 . 1 1 126 126 GLN H H 126 8.190 8.190 8.064 0.126 17717 14700 1 15 . 1 1 127 127 GLU N N 127 121.221 121.221 119.577 1.644 17717 14701 1 15 . 1 1 127 127 GLU HA H 127 4.480 4.480 4.058 0.422 17717 14702 1 15 . 1 1 127 127 GLU CA C 127 57.800 57.800 59.109 -1.309 17717 14703 1 15 . 1 1 127 127 GLU CB C 127 28.000 28.000 29.794 -1.794 17717 14704 1 15 . 1 1 127 127 GLU H H 127 8.130 8.130 7.772 0.358 17717 14705 1 15 . 1 1 128 128 SER N N 128 117.960 117.960 115.065 2.895 17717 14706 1 15 . 1 1 128 128 SER HA H 128 4.140 4.140 4.304 -0.164 17717 14707 1 15 . 1 1 128 128 SER CA C 128 57.800 57.800 61.293 -3.493 17717 14708 1 15 . 1 1 128 128 SER CB C 128 63.860 63.860 63.439 0.421 17717 14709 1 15 . 1 1 128 128 SER H H 128 8.580 8.580 8.485 0.095 17717 14710 1 15 . 1 1 129 129 ALA N N 129 132.300 132.300 123.291 9.009 17717 14711 1 15 . 1 1 129 129 ALA CA C 129 53.505 53.505 52.987 0.518 17717 14712 1 15 . 1 1 129 129 ALA CB C 129 18.600 18.600 19.000 -0.400 17717 14713 1 15 . 1 1 129 129 ALA H H 129 7.980 7.980 7.878 0.102 17717 14714 1 15 . 1 1 130 130 ARG N N 130 119.553 119.553 115.222 4.331 17717 14715 1 15 . 1 1 130 130 ARG HA H 130 4.274 4.274 4.464 -0.190 17717 14716 1 15 . 1 1 130 130 ARG CA C 130 55.300 55.300 55.450 -0.150 17717 14717 1 15 . 1 1 130 130 ARG CB C 130 31.600 31.600 30.865 0.735 17717 14718 1 15 . 1 1 130 130 ARG H H 130 8.150 8.150 7.553 0.597 17717 14719 1 15 . 1 1 131 131 GLN N N 131 117.960 117.960 119.259 -1.299 17717 14720 1 15 . 1 1 131 131 GLN HA H 131 4.350 4.350 4.513 -0.163 17717 14721 1 15 . 1 1 131 131 GLN CA C 131 56.066 56.066 56.088 -0.022 17717 14722 1 15 . 1 1 131 131 GLN CB C 131 29.000 29.000 29.561 -0.561 17717 14723 1 15 . 1 1 131 131 GLN H H 131 7.880 7.880 7.647 0.233 17717 14724 1 15 . 1 1 132 132 LYS N N 132 121.357 121.357 120.039 1.318 17717 14725 1 15 . 1 1 132 132 LYS HA H 132 4.136 4.136 4.415 -0.279 17717 14726 1 15 . 1 1 132 132 LYS CA C 132 56.800 56.800 56.219 0.581 17717 14727 1 15 . 1 1 132 132 LYS CB C 132 31.100 31.100 32.477 -1.377 17717 14728 1 15 . 1 1 132 132 LYS H H 132 7.892 7.892 8.084 -0.192 17717 14729 1 15 . 1 1 133 133 LEU N N 133 120.620 120.620 119.913 0.707 17717 14730 1 15 . 1 1 133 133 LEU HA H 133 4.480 4.480 4.517 -0.037 17717 14731 1 15 . 1 1 133 133 LEU CA C 133 53.900 53.900 54.954 -1.054 17717 14732 1 15 . 1 1 133 133 LEU CB C 133 41.230 41.230 43.908 -2.678 17717 14733 1 15 . 1 1 133 133 LEU H H 133 8.320 8.320 7.652 0.668 17717 14734 1 15 . 1 1 134 134 GLN N N 134 121.147 121.147 120.886 0.261 17717 14735 1 15 . 1 1 134 134 GLN HA H 134 4.222 4.222 4.383 -0.161 17717 14736 1 15 . 1 1 134 134 GLN CA C 134 56.146 56.146 55.078 1.068 17717 14737 1 15 . 1 1 134 134 GLN CB C 134 31.813 31.813 28.750 3.063 17717 14738 1 15 . 1 1 134 134 GLN H H 134 7.870 7.870 8.472 -0.602 17717 14739 1 15 . 1 1 135 135 GLU N N 135 121.678 121.678 119.977 1.701 17717 14740 1 15 . 1 1 135 135 GLU HA H 135 4.136 4.136 4.226 -0.090 17717 14741 1 15 . 1 1 135 135 GLU CA C 135 55.904 55.904 56.632 -0.728 17717 14742 1 15 . 1 1 135 135 GLU CB C 135 28.953 28.953 30.371 -1.418 17717 14743 1 15 . 1 1 135 135 GLU H H 135 7.892 7.892 7.934 -0.042 17717 14744 1 15 . 1 1 136 136 LEU N N 136 121.357 121.357 121.154 0.203 17717 14745 1 15 . 1 1 136 136 LEU HA H 136 4.351 4.351 4.383 -0.032 17717 14746 1 15 . 1 1 136 136 LEU CA C 136 54.765 54.765 56.181 -1.416 17717 14747 1 15 . 1 1 136 136 LEU CB C 136 41.823 41.823 42.509 -0.686 17717 14748 1 15 . 1 1 136 136 LEU H H 136 7.962 7.962 8.165 -0.203 17717 14749 1 15 . 1 1 137 137 GLN N N 137 124.866 124.866 120.067 4.799 17717 14750 1 15 . 1 1 137 137 GLN HA H 137 4.222 4.222 4.522 -0.300 17717 14751 1 15 . 1 1 137 137 GLN CA C 137 56.300 56.300 55.586 0.715 17717 14752 1 15 . 1 1 137 137 GLN CB C 137 28.000 28.000 29.717 -1.717 17717 14753 1 15 . 1 1 137 137 GLN H H 137 7.938 7.938 7.984 -0.046 17717 14754 1 15 . 1 1 138 138 GLY N N 138 111.054 111.054 111.253 -0.199 17717 14755 1 15 . 1 1 138 138 GLY CA C 138 44.800 44.800 44.966 -0.166 17717 14756 1 15 . 1 1 138 138 GLY H H 138 8.410 8.410 8.227 0.183 17717 14757 1 15 . 1 1 139 139 ARG N N 139 116.366 116.366 124.394 -8.028 17717 14758 1 15 . 1 1 139 139 ARG HA H 139 4.230 4.230 4.414 -0.184 17717 14759 1 15 . 1 1 139 139 ARG CA C 139 56.300 56.300 56.533 -0.233 17717 14760 1 15 . 1 1 139 139 ARG CB C 139 28.700 28.700 30.763 -2.063 17717 14761 1 15 . 1 1 139 139 ARG H H 139 8.080 8.080 8.307 -0.227 17717 14762 1 15 . 1 1 140 140 LEU N N 140 126.460 126.460 118.399 8.061 17717 14763 1 15 . 1 1 140 140 LEU HA H 140 4.220 4.220 3.984 0.236 17717 14764 1 15 . 1 1 140 140 LEU CA C 140 56.500 56.500 55.444 1.056 17717 14765 1 15 . 1 1 140 140 LEU CB C 140 41.496 41.496 39.620 1.875 17717 14766 1 15 . 1 1 140 140 LEU H H 140 7.740 7.740 8.014 -0.274 17717 14767 1 15 . 1 1 141 141 SER N N 141 119.190 119.190 113.381 5.809 17717 14768 1 15 . 1 1 141 141 SER HA H 141 4.390 4.390 4.248 0.142 17717 14769 1 15 . 1 1 141 141 SER CA C 141 56.384 56.384 58.319 -1.935 17717 14770 1 15 . 1 1 141 141 SER CB C 141 62.996 62.996 62.280 0.716 17717 14771 1 15 . 1 1 141 141 SER H H 141 8.430 8.430 8.283 0.147 17717 14772 1 15 . 1 1 142 142 PRO CA C 142 64.840 64.840 65.256 -0.416 17717 14773 1 15 . 1 1 142 142 PRO CB C 142 31.345 31.345 31.519 -0.174 17717 14774 1 15 . 1 1 143 143 VAL N N 143 116.900 116.900 117.569 -0.669 17717 14775 1 15 . 1 1 143 143 VAL HA H 143 4.100 4.100 3.763 0.337 17717 14776 1 15 . 1 1 143 143 VAL CA C 143 63.800 63.800 63.946 -0.146 17717 14777 1 15 . 1 1 143 143 VAL CB C 143 31.400 31.400 30.288 1.112 17717 14778 1 15 . 1 1 143 143 VAL H H 143 7.780 7.780 7.752 0.028 17717 14779 1 15 . 1 1 144 144 ALA N N 144 125.700 125.700 122.089 3.611 17717 14780 1 15 . 1 1 144 144 ALA HA H 144 4.390 4.390 4.164 0.226 17717 14781 1 15 . 1 1 144 144 ALA CA C 144 54.200 54.200 55.046 -0.846 17717 14782 1 15 . 1 1 144 144 ALA CB C 144 18.361 18.361 18.492 -0.131 17717 14783 1 15 . 1 1 144 144 ALA H H 144 7.970 7.970 7.652 0.318 17717 14784 1 15 . 1 1 145 145 GLU N N 145 120.000 120.000 118.397 1.603 17717 14785 1 15 . 1 1 145 145 GLU HA H 145 3.920 3.920 3.942 -0.022 17717 14786 1 15 . 1 1 145 145 GLU CA C 145 59.400 59.400 59.606 -0.206 17717 14787 1 15 . 1 1 145 145 GLU CB C 145 28.400 28.400 28.768 -0.368 17717 14788 1 15 . 1 1 145 145 GLU H H 145 8.600 8.600 7.862 0.738 17717 14789 1 15 . 1 1 146 146 GLU N N 146 119.022 119.022 119.193 -0.171 17717 14790 1 15 . 1 1 146 146 GLU HA H 146 4.050 4.050 4.037 0.013 17717 14791 1 15 . 1 1 146 146 GLU CA C 146 58.422 58.422 58.496 -0.074 17717 14792 1 15 . 1 1 146 146 GLU CB C 146 28.172 28.172 28.512 -0.340 17717 14793 1 15 . 1 1 146 146 GLU H H 146 8.070 8.070 7.654 0.416 17717 14794 1 15 . 1 1 147 147 PHE N N 147 117.023 117.023 117.865 -0.842 17717 14795 1 15 . 1 1 147 147 PHE HA H 147 4.523 4.523 4.341 0.182 17717 14796 1 15 . 1 1 147 147 PHE CA C 147 58.592 58.592 60.597 -2.005 17717 14797 1 15 . 1 1 147 147 PHE CB C 147 40.344 40.344 38.111 2.233 17717 14798 1 15 . 1 1 147 147 PHE H H 147 8.161 8.161 7.506 0.655 17717 14799 1 15 . 1 1 148 148 ARG N N 148 120.085 120.085 120.925 -0.840 17717 14800 1 15 . 1 1 148 148 ARG HA H 148 4.136 4.136 4.021 0.115 17717 14801 1 15 . 1 1 148 148 ARG CA C 148 57.700 57.700 60.031 -2.331 17717 14802 1 15 . 1 1 148 148 ARG CB C 148 30.400 30.400 30.351 0.049 17717 14803 1 15 . 1 1 148 148 ARG H H 148 8.325 8.325 8.206 0.119 17717 14804 1 15 . 1 1 149 149 ASP N N 149 118.530 118.530 119.129 -0.599 17717 14805 1 15 . 1 1 149 149 ASP HA H 149 4.310 4.310 4.352 -0.042 17717 14806 1 15 . 1 1 149 149 ASP CA C 149 54.600 54.600 57.526 -2.926 17717 14807 1 15 . 1 1 149 149 ASP CB C 149 41.000 41.000 40.930 0.070 17717 14808 1 15 . 1 1 149 149 ASP H H 149 8.270 8.270 8.574 -0.304 17717 14809 1 15 . 1 1 150 150 ARG N N 150 126.460 126.460 119.877 6.583 17717 14810 1 15 . 1 1 150 150 ARG HA H 150 4.180 4.180 4.272 -0.092 17717 14811 1 15 . 1 1 150 150 ARG CA C 150 56.850 56.850 57.917 -1.067 17717 14812 1 15 . 1 1 150 150 ARG CB C 150 30.451 30.451 29.887 0.565 17717 14813 1 15 . 1 1 150 150 ARG H H 150 7.860 7.860 8.273 -0.413 17717 14814 1 15 . 1 1 152 152 ARG CA C 152 55.764 55.764 60.247 -4.483 17717 14815 1 15 . 1 1 152 152 ARG CB C 152 30.014 30.014 30.151 -0.138 17717 14816 1 15 . 1 1 153 153 THR N N 153 115.832 115.832 112.735 3.097 17717 14817 1 15 . 1 1 153 153 THR HA H 153 4.350 4.350 4.008 0.342 17717 14818 1 15 . 1 1 153 153 THR CA C 153 61.200 61.200 66.042 -4.842 17717 14819 1 15 . 1 1 153 153 THR CB C 153 69.400 69.400 68.177 1.223 17717 14820 1 15 . 1 1 153 153 THR H H 153 8.170 8.170 8.130 0.040 17717 14821 1 15 . 1 1 154 154 HIS N N 154 129.120 129.120 123.200 5.920 17717 14822 1 15 . 1 1 154 154 HIS HA H 154 4.650 4.650 4.547 0.103 17717 14823 1 15 . 1 1 154 154 HIS CA C 154 56.800 56.800 58.533 -1.733 17717 14824 1 15 . 1 1 154 154 HIS CB C 154 30.400 30.400 29.563 0.837 17717 14825 1 15 . 1 1 154 154 HIS H H 154 7.950 7.950 8.022 -0.072 17717 14826 1 15 . 1 1 155 155 VAL N N 155 120.620 120.620 118.189 2.431 17717 14827 1 15 . 1 1 155 155 VAL HA H 155 4.012 4.012 3.401 0.611 17717 14828 1 15 . 1 1 155 155 VAL CA C 155 62.300 62.300 66.023 -3.723 17717 14829 1 15 . 1 1 155 155 VAL CB C 155 31.600 31.600 30.766 0.834 17717 14830 1 15 . 1 1 155 155 VAL H H 155 7.910 7.910 7.347 0.563 17717 14831 1 15 . 1 1 156 156 ASP N N 156 121.147 121.147 121.265 -0.118 17717 14832 1 15 . 1 1 156 156 ASP HA H 156 4.440 4.440 4.265 0.175 17717 14833 1 15 . 1 1 156 156 ASP CA C 156 57.384 57.384 57.784 -0.400 17717 14834 1 15 . 1 1 156 156 ASP CB C 156 40.140 40.140 40.806 -0.666 17717 14835 1 15 . 1 1 156 156 ASP H H 156 8.100 8.100 8.550 -0.450 17717 14836 1 15 . 1 1 157 157 SER N N 157 116.366 116.366 116.104 0.262 17717 14837 1 15 . 1 1 157 157 SER HA H 157 4.220 4.220 4.173 0.047 17717 14838 1 15 . 1 1 157 157 SER CA C 157 61.500 61.500 62.129 -0.629 17717 14839 1 15 . 1 1 157 157 SER CB C 157 62.500 62.500 63.279 -0.779 17717 14840 1 15 . 1 1 157 157 SER H H 157 8.700 8.700 7.749 0.951 17717 14841 1 15 . 1 1 158 158 LEU N N 158 123.272 123.272 122.782 0.490 17717 14842 1 15 . 1 1 158 158 LEU HA H 158 4.520 4.520 4.031 0.489 17717 14843 1 15 . 1 1 158 158 LEU CA C 158 57.140 57.140 58.563 -1.423 17717 14844 1 15 . 1 1 158 158 LEU CB C 158 40.900 40.900 41.943 -1.043 17717 14845 1 15 . 1 1 158 158 LEU H H 158 7.790 7.790 7.730 0.060 17717 14846 1 15 . 1 1 159 159 ARG N N 159 119.553 119.553 116.558 2.995 17717 14847 1 15 . 1 1 159 159 ARG HA H 159 4.530 4.530 4.105 0.425 17717 14848 1 15 . 1 1 159 159 ARG CA C 159 56.800 56.800 59.223 -2.423 17717 14849 1 15 . 1 1 159 159 ARG CB C 159 29.000 29.000 30.153 -1.153 17717 14850 1 15 . 1 1 159 159 ARG H H 159 8.650 8.650 8.367 0.283 17717 14851 1 15 . 1 1 160 160 THR N N 160 115.304 115.304 114.659 0.645 17717 14852 1 15 . 1 1 160 160 THR HA H 160 3.880 3.880 4.100 -0.220 17717 14853 1 15 . 1 1 160 160 THR CA C 160 65.300 65.300 65.991 -0.691 17717 14854 1 15 . 1 1 160 160 THR CB C 160 68.900 68.900 68.324 0.576 17717 14855 1 15 . 1 1 160 160 THR H H 160 8.100 8.100 7.385 0.715 17717 14856 1 15 . 1 1 161 161 GLN N N 161 122.440 122.440 117.717 4.723 17717 14857 1 15 . 1 1 161 161 GLN HA H 161 4.220 4.220 4.459 -0.239 17717 14858 1 15 . 1 1 161 161 GLN CA C 161 56.900 56.900 57.414 -0.514 17717 14859 1 15 . 1 1 161 161 GLN CB C 161 26.160 26.160 28.931 -2.771 17717 14860 1 15 . 1 1 161 161 GLN H H 161 8.070 8.070 7.850 0.220 17717 14861 1 15 . 1 1 162 162 LEU N N 162 115.398 115.398 120.892 -5.494 17717 14862 1 15 . 1 1 162 162 LEU HA H 162 4.220 4.220 4.423 -0.203 17717 14863 1 15 . 1 1 162 162 LEU CA C 162 56.500 56.500 56.068 0.432 17717 14864 1 15 . 1 1 162 162 LEU CB C 162 41.000 41.000 40.513 0.487 17717 14865 1 15 . 1 1 162 162 LEU H H 162 7.980 7.980 7.800 0.180 17717 14866 1 15 . 1 1 163 163 ALA N N 163 122.210 122.210 123.402 -1.192 17717 14867 1 15 . 1 1 163 163 ALA HA H 163 4.260 4.260 4.112 0.148 17717 14868 1 15 . 1 1 163 163 ALA CA C 163 56.560 56.560 57.097 -0.537 17717 14869 1 15 . 1 1 163 163 ALA CB C 163 15.000 15.000 16.107 -1.107 17717 14870 1 15 . 1 1 163 163 ALA H H 163 7.460 7.460 8.382 -0.922 17717 14871 1 15 . 1 1 164 164 PRO CA C 164 62.800 62.800 65.619 -2.819 17717 14872 1 15 . 1 1 164 164 PRO CB C 164 31.500 31.500 31.307 0.193 17717 14873 1 15 . 1 1 165 165 HIS N N 165 120.080 120.080 117.151 2.929 17717 14874 1 15 . 1 1 165 165 HIS HA H 165 4.390 4.390 4.221 0.169 17717 14875 1 15 . 1 1 165 165 HIS CA C 165 56.000 56.000 60.472 -4.472 17717 14876 1 15 . 1 1 165 165 HIS CB C 165 28.400 28.400 29.541 -1.141 17717 14877 1 15 . 1 1 165 165 HIS H H 165 8.060 8.060 7.916 0.144 17717 14878 1 15 . 1 1 166 166 SER N N 166 116.366 116.366 115.556 0.810 17717 14879 1 15 . 1 1 166 166 SER HA H 166 4.300 4.300 4.141 0.159 17717 14880 1 15 . 1 1 166 166 SER CA C 166 61.200 61.200 61.485 -0.285 17717 14881 1 15 . 1 1 166 166 SER CB C 166 63.000 63.000 63.214 -0.214 17717 14882 1 15 . 1 1 166 166 SER H H 166 8.040 8.040 8.475 -0.435 17717 14883 1 15 . 1 1 167 167 GLU N N 167 121.678 121.678 121.361 0.317 17717 14884 1 15 . 1 1 167 167 GLU HA H 167 3.922 3.922 4.077 -0.155 17717 14885 1 15 . 1 1 167 167 GLU CA C 167 62.800 62.800 59.198 3.602 17717 14886 1 15 . 1 1 167 167 GLU CB C 167 31.100 31.100 29.682 1.418 17717 14887 1 15 . 1 1 167 167 GLU H H 167 7.760 7.760 7.644 0.116 17717 14888 1 15 . 1 1 168 168 GLN N N 168 121.147 121.147 120.017 1.130 17717 14889 1 15 . 1 1 168 168 GLN HA H 168 4.320 4.320 4.099 0.221 17717 14890 1 15 . 1 1 168 168 GLN CA C 168 55.300 55.300 59.215 -3.915 17717 14891 1 15 . 1 1 168 168 GLN CB C 168 28.200 28.200 28.945 -0.745 17717 14892 1 15 . 1 1 168 168 GLN H H 168 8.450 8.450 8.493 -0.043 17717 14893 1 15 . 1 1 170 170 ARG CA C 170 58.370 58.370 59.253 -0.883 17717 14894 1 15 . 1 1 170 170 ARG CB C 170 28.900 28.900 30.071 -1.171 17717 14895 1 15 . 1 1 171 171 GLU N N 171 117.960 117.960 119.992 -2.032 17717 14896 1 15 . 1 1 171 171 GLU HA H 171 4.140 4.140 4.180 -0.040 17717 14897 1 15 . 1 1 171 171 GLU CA C 171 57.300 57.300 59.284 -1.984 17717 14898 1 15 . 1 1 171 171 GLU CB C 171 29.200 29.200 29.966 -0.766 17717 14899 1 15 . 1 1 171 171 GLU H H 171 7.730 7.730 7.957 -0.227 17717 14900 1 15 . 1 1 172 172 SER N N 172 116.366 116.366 117.164 -0.798 17717 14901 1 15 . 1 1 172 172 SER HA H 172 4.270 4.270 4.109 0.161 17717 14902 1 15 . 1 1 172 172 SER CA C 172 58.000 58.000 62.755 -4.755 17717 14903 1 15 . 1 1 172 172 SER CB C 172 63.000 63.000 63.040 -0.040 17717 14904 1 15 . 1 1 172 172 SER H H 172 8.320 8.320 8.646 -0.326 17717 14905 1 15 . 1 1 173 173 LEU N N 173 124.866 124.866 120.906 3.960 17717 14906 1 15 . 1 1 173 173 LEU HA H 173 4.352 4.352 4.055 0.297 17717 14907 1 15 . 1 1 173 173 LEU CA C 173 54.540 54.540 57.698 -3.158 17717 14908 1 15 . 1 1 173 173 LEU CB C 173 41.400 41.400 41.512 -0.112 17717 14909 1 15 . 1 1 173 173 LEU H H 173 8.260 8.260 7.718 0.542 17717 14910 1 15 . 1 1 174 174 ALA N N 174 126.460 126.460 121.316 5.144 17717 14911 1 15 . 1 1 174 174 ALA HA H 174 4.270 4.270 3.823 0.447 17717 14912 1 15 . 1 1 174 174 ALA CA C 174 55.400 55.400 54.785 0.615 17717 14913 1 15 . 1 1 174 174 ALA CB C 174 17.200 17.200 18.031 -0.831 17717 14914 1 15 . 1 1 174 174 ALA H H 174 8.210 8.210 7.421 0.789 17717 14915 1 15 . 1 1 175 175 GLN N N 175 117.430 117.430 118.384 -0.954 17717 14916 1 15 . 1 1 175 175 GLN HA H 175 4.060 4.060 3.979 0.081 17717 14917 1 15 . 1 1 175 175 GLN CA C 175 58.600 58.600 58.260 0.340 17717 14918 1 15 . 1 1 175 175 GLN CB C 175 27.400 27.400 28.629 -1.229 17717 14919 1 15 . 1 1 175 175 GLN H H 175 8.450 8.450 7.983 0.467 17717 14920 1 15 . 1 1 176 176 ARG N N 176 119.550 119.550 121.305 -1.755 17717 14921 1 15 . 1 1 176 176 ARG HA H 176 4.180 4.180 3.839 0.341 17717 14922 1 15 . 1 1 176 176 ARG CA C 176 56.900 56.900 59.904 -3.005 17717 14923 1 15 . 1 1 176 176 ARG CB C 176 29.300 29.300 30.197 -0.897 17717 14924 1 15 . 1 1 176 176 ARG H H 176 8.070 8.070 8.266 -0.196 17717 14925 1 15 . 1 1 177 177 LEU N N 177 115.840 115.840 116.307 -0.467 17717 14926 1 15 . 1 1 177 177 LEU HA H 177 4.180 4.180 3.862 0.318 17717 14927 1 15 . 1 1 177 177 LEU CA C 177 56.900 56.900 57.880 -0.980 17717 14928 1 15 . 1 1 177 177 LEU CB C 177 40.100 40.100 40.945 -0.845 17717 14929 1 15 . 1 1 177 177 LEU H H 177 8.330 8.330 7.448 0.882 17717 14930 1 15 . 1 1 178 178 ALA N N 178 121.220 121.220 120.648 0.572 17717 14931 1 15 . 1 1 178 178 ALA HA H 178 3.880 3.880 3.921 -0.041 17717 14932 1 15 . 1 1 178 178 ALA CA C 178 54.600 54.600 54.702 -0.102 17717 14933 1 15 . 1 1 178 178 ALA CB C 178 16.900 16.900 17.994 -1.094 17717 14934 1 15 . 1 1 178 178 ALA H H 178 8.570 8.570 7.607 0.963 17717 14935 1 15 . 1 1 179 179 GLU N N 179 118.490 118.490 120.127 -1.637 17717 14936 1 15 . 1 1 179 179 GLU HA H 179 4.180 4.180 4.003 0.177 17717 14937 1 15 . 1 1 179 179 GLU CA C 179 56.600 56.600 59.189 -2.589 17717 14938 1 15 . 1 1 179 179 GLU CB C 179 29.000 29.000 29.567 -0.567 17717 14939 1 15 . 1 1 179 179 GLU H H 179 7.680 7.680 7.762 -0.082 17717 14940 1 15 . 1 1 180 180 LEU N N 180 117.730 117.730 117.091 0.639 17717 14941 1 15 . 1 1 180 180 LEU HA H 180 4.265 4.265 3.943 0.322 17717 14942 1 15 . 1 1 180 180 LEU CA C 180 55.020 55.020 57.178 -2.158 17717 14943 1 15 . 1 1 180 180 LEU CB C 180 41.100 41.100 41.473 -0.373 17717 14944 1 15 . 1 1 180 180 LEU H H 180 7.680 7.680 7.293 0.387 17717 14945 1 15 . 1 1 181 181 LYS N N 181 117.400 117.400 117.943 -0.543 17717 14946 1 15 . 1 1 181 181 LYS HA H 181 4.480 4.480 3.906 0.574 17717 14947 1 15 . 1 1 181 181 LYS CA C 181 61.900 61.900 58.408 3.492 17717 14948 1 15 . 1 1 181 181 LYS CB C 181 31.800 31.800 32.585 -0.785 17717 14949 1 15 . 1 1 181 181 LYS H H 181 7.510 7.510 7.654 -0.144 17717 14950 1 15 . 1 1 182 182 SER N N 182 114.010 114.010 112.581 1.429 17717 14951 1 15 . 1 1 182 182 SER HA H 182 4.350 4.350 4.276 0.074 17717 14952 1 15 . 1 1 182 182 SER CA C 182 58.000 58.000 59.368 -1.368 17717 14953 1 15 . 1 1 182 182 SER CB C 182 63.300 63.300 63.922 -0.622 17717 14954 1 15 . 1 1 182 182 SER H H 182 7.920 7.920 7.833 0.087 17717 14955 1 15 . 1 1 183 183 ASN N N 183 123.040 123.040 118.596 4.444 17717 14956 1 15 . 1 1 183 183 ASN HA H 183 4.310 4.310 4.605 -0.295 17717 14957 1 15 . 1 1 183 183 ASN CA C 183 55.115 55.115 52.833 2.282 17717 14958 1 15 . 1 1 183 183 ASN CB C 183 37.838 37.838 38.226 -0.388 17717 14959 1 15 . 1 1 183 183 ASN H H 183 8.250 8.250 7.798 0.452 17717 14960 1 15 . 1 1 184 184 PRO CA C 184 63.180 63.180 64.476 -1.296 17717 14961 1 15 . 1 1 184 184 PRO CB C 184 31.400 31.400 32.327 -0.927 17717 14962 1 15 . 1 1 185 185 THR N N 185 114.240 114.240 110.964 3.276 17717 14963 1 15 . 1 1 185 185 THR HA H 185 4.270 4.270 4.439 -0.169 17717 14964 1 15 . 1 1 185 185 THR CA C 185 61.200 61.200 61.355 -0.155 17717 14965 1 15 . 1 1 185 185 THR CB C 185 69.100 69.100 70.818 -1.718 17717 14966 1 15 . 1 1 185 185 THR H H 185 8.150 8.150 7.743 0.407 17717 14967 1 15 . 1 1 186 186 LEU N N 186 123.270 123.270 117.143 6.127 17717 14968 1 15 . 1 1 186 186 LEU HA H 186 4.350 4.350 4.680 -0.330 17717 14969 1 15 . 1 1 186 186 LEU CA C 186 55.000 55.000 54.642 0.358 17717 14970 1 15 . 1 1 186 186 LEU CB C 186 41.000 41.000 43.893 -2.893 17717 14971 1 15 . 1 1 186 186 LEU H H 186 8.430 8.430 7.951 0.479 17717 14972 1 15 . 1 1 187 187 ASN N N 187 119.020 119.020 121.518 -2.498 17717 14973 1 15 . 1 1 187 187 ASN HA H 187 4.530 4.530 4.851 -0.321 17717 14974 1 15 . 1 1 187 187 ASN CA C 187 53.400 53.400 52.888 0.512 17717 14975 1 15 . 1 1 187 187 ASN CB C 187 37.900 37.900 39.401 -1.501 17717 14976 1 15 . 1 1 187 187 ASN H H 187 8.370 8.370 8.540 -0.170 17717 14977 1 15 . 1 1 188 188 GLU N N 188 123.270 123.270 125.242 -1.972 17717 14978 1 15 . 1 1 188 188 GLU HA H 188 4.000 4.000 3.921 0.079 17717 14979 1 15 . 1 1 188 188 GLU CA C 188 61.700 61.700 58.536 3.164 17717 14980 1 15 . 1 1 188 188 GLU CB C 188 32.100 32.100 29.870 2.230 17717 14981 1 15 . 1 1 188 188 GLU H H 188 7.870 7.870 8.721 -0.851 17717 14982 1 15 . 1 1 189 189 TYR N N 189 122.210 122.210 115.359 6.851 17717 14983 1 15 . 1 1 189 189 TYR HA H 189 4.440 4.440 4.664 -0.224 17717 14984 1 15 . 1 1 189 189 TYR CA C 189 57.120 57.120 57.006 0.114 17717 14985 1 15 . 1 1 189 189 TYR CB C 189 40.000 40.000 37.882 2.118 17717 14986 1 15 . 1 1 189 189 TYR H H 189 8.590 8.590 7.797 0.793 17717 14987 1 15 . 1 1 190 190 HIS N N 190 124.866 124.866 119.540 5.326 17717 14988 1 15 . 1 1 190 190 HIS HA H 190 4.780 4.780 4.419 0.361 17717 14989 1 15 . 1 1 190 190 HIS CA C 190 56.000 56.000 58.244 -2.244 17717 14990 1 15 . 1 1 190 190 HIS CB C 190 29.400 29.400 30.125 -0.725 17717 14991 1 15 . 1 1 190 190 HIS H H 190 8.420 8.420 8.596 -0.176 17717 14992 1 15 . 1 1 191 191 SER N N 191 117.429 117.429 113.973 3.456 17717 14993 1 15 . 1 1 191 191 SER HA H 191 4.140 4.140 4.560 -0.420 17717 14994 1 15 . 1 1 191 191 SER CA C 191 58.140 58.140 57.953 0.187 17717 14995 1 15 . 1 1 191 191 SER CB C 191 63.140 63.140 63.488 -0.348 17717 14996 1 15 . 1 1 191 191 SER H H 191 8.270 8.270 8.086 0.184 17717 14997 1 15 . 1 1 192 192 SER N N 192 124.335 124.335 123.157 1.178 17717 14998 1 15 . 1 1 192 192 SER HA H 192 4.730 4.730 4.762 -0.032 17717 14999 1 15 . 1 1 192 192 SER CA C 192 59.020 59.020 57.259 1.761 17717 15000 1 15 . 1 1 192 192 SER CB C 192 63.000 63.000 62.937 0.063 17717 15001 1 15 . 1 1 192 192 SER H H 192 8.010 8.010 8.674 -0.664 17717 15002 1 15 . 1 1 193 193 ALA N N 193 125.930 125.930 121.837 4.093 17717 15003 1 15 . 1 1 193 193 ALA HA H 193 4.310 4.310 4.152 0.158 17717 15004 1 15 . 1 1 193 193 ALA CA C 193 52.300 52.300 53.673 -1.373 17717 15005 1 15 . 1 1 193 193 ALA CB C 193 18.000 18.000 17.276 0.723 17717 15006 1 15 . 1 1 193 193 ALA H H 193 8.100 8.100 8.318 -0.218 17717 15007 1 15 . 1 1 194 194 LYS N N 194 126.460 126.460 118.969 7.491 17717 15008 1 15 . 1 1 194 194 LYS HA H 194 4.220 4.220 4.337 -0.117 17717 15009 1 15 . 1 1 194 194 LYS CA C 194 56.600 56.600 56.316 0.284 17717 15010 1 15 . 1 1 194 194 LYS CB C 194 33.000 33.000 33.363 -0.363 17717 15011 1 15 . 1 1 194 194 LYS H H 194 7.860 7.860 8.336 -0.476 17717 15012 1 15 . 1 1 195 195 SER N N 195 117.429 117.429 116.371 1.058 17717 15013 1 15 . 1 1 195 195 SER HA H 195 4.430 4.430 4.928 -0.498 17717 15014 1 15 . 1 1 195 195 SER CA C 195 58.499 58.499 56.936 1.563 17717 15015 1 15 . 1 1 195 195 SER CB C 195 63.129 63.129 62.783 0.346 17717 15016 1 15 . 1 1 195 195 SER H H 195 8.240 8.240 8.413 -0.173 17717 15017 1 15 . 1 1 196 196 HIS N N 196 122.440 122.440 125.304 -2.864 17717 15018 1 15 . 1 1 196 196 HIS HA H 196 4.222 4.222 4.355 -0.133 17717 15019 1 15 . 1 1 196 196 HIS CA C 196 55.743 55.743 59.357 -3.614 17717 15020 1 15 . 1 1 196 196 HIS CB C 196 28.566 28.566 30.324 -1.758 17717 15021 1 15 . 1 1 196 196 HIS H H 196 8.044 8.044 8.921 -0.877 17717 15022 1 15 . 1 1 197 197 LEU N N 197 117.429 117.429 120.380 -2.951 17717 15023 1 15 . 1 1 197 197 LEU HA H 197 4.179 4.179 4.076 0.103 17717 15024 1 15 . 1 1 197 197 LEU CA C 197 54.540 54.540 58.921 -4.381 17717 15025 1 15 . 1 1 197 197 LEU CB C 197 40.040 40.040 41.653 -1.613 17717 15026 1 15 . 1 1 197 197 LEU H H 197 8.044 8.044 8.365 -0.321 17717 15027 1 15 . 1 1 198 198 LYS N N 198 117.430 117.430 118.800 -1.370 17717 15028 1 15 . 1 1 198 198 LYS HA H 198 4.140 4.140 4.149 -0.009 17717 15029 1 15 . 1 1 198 198 LYS CA C 198 57.600 57.600 59.202 -1.602 17717 15030 1 15 . 1 1 198 198 LYS CB C 198 32.000 32.000 31.870 0.130 17717 15031 1 15 . 1 1 198 198 LYS H H 198 7.510 7.510 8.245 -0.735 17717 15032 1 15 . 1 1 199 199 SER N N 199 114.315 114.315 115.185 -0.870 17717 15033 1 15 . 1 1 199 199 SER HA H 199 4.310 4.310 4.342 -0.032 17717 15034 1 15 . 1 1 199 199 SER CA C 199 62.000 62.000 61.221 0.779 17717 15035 1 15 . 1 1 199 199 SER CB C 199 63.600 63.600 63.091 0.509 17717 15036 1 15 . 1 1 199 199 SER H H 199 7.930 7.930 8.202 -0.272 17717 15037 1 15 . 1 1 200 200 LEU N N 200 124.335 124.335 122.547 1.788 17717 15038 1 15 . 1 1 200 200 LEU HA H 200 4.260 4.260 4.285 -0.025 17717 15039 1 15 . 1 1 200 200 LEU CA C 200 55.200 55.200 57.330 -2.130 17717 15040 1 15 . 1 1 200 200 LEU CB C 200 41.200 41.200 41.839 -0.638 17717 15041 1 15 . 1 1 200 200 LEU H H 200 8.170 8.170 8.070 0.100 17717 15042 1 15 . 1 1 201 201 GLY N N 201 109.990 109.990 106.408 3.582 17717 15043 1 15 . 1 1 201 201 GLY CA C 201 44.700 44.700 46.914 -2.214 17717 15044 1 15 . 1 1 201 201 GLY H H 201 8.290 8.290 7.967 0.323 17717 15045 1 15 . 1 1 202 202 GLU N N 202 126.460 126.460 119.423 7.037 17717 15046 1 15 . 1 1 202 202 GLU HA H 202 4.220 4.220 4.220 -0.000 17717 15047 1 15 . 1 1 202 202 GLU CA C 202 56.600 56.600 58.453 -1.853 17717 15048 1 15 . 1 1 202 202 GLU CB C 202 32.800 32.800 29.789 3.011 17717 15049 1 15 . 1 1 202 202 GLU H H 202 7.750 7.750 7.794 -0.044 17717 15050 1 15 . 1 1 203 203 LYS CA C 203 55.775 55.775 54.699 1.076 17717 15051 1 15 . 1 1 203 203 LYS CB C 203 32.283 32.283 32.646 -0.363 17717 15052 1 15 . 1 1 204 204 ALA N N 204 125.390 125.390 119.588 5.802 17717 15053 1 15 . 1 1 204 204 ALA HA H 204 4.310 4.310 4.603 -0.293 17717 15054 1 15 . 1 1 204 204 ALA CA C 204 52.000 52.000 50.341 1.659 17717 15055 1 15 . 1 1 204 204 ALA CB C 204 18.400 18.400 20.886 -2.486 17717 15056 1 15 . 1 1 204 204 ALA H H 204 8.180 8.180 7.109 1.071 17717 15057 1 15 . 1 1 205 205 ARG N N 205 121.150 121.150 118.992 2.158 17717 15058 1 15 . 1 1 205 205 ARG HA H 205 4.270 4.270 4.259 0.011 17717 15059 1 15 . 1 1 205 205 ARG CA C 205 56.384 56.384 55.958 0.426 17717 15060 1 15 . 1 1 205 205 ARG CB C 205 29.193 29.193 29.828 -0.635 17717 15061 1 15 . 1 1 205 205 ARG H H 205 8.350 8.350 8.493 -0.143 17717 15062 1 15 . 1 1 206 206 PRO CA C 206 62.600 62.600 64.945 -2.345 17717 15063 1 15 . 1 1 206 206 PRO CB C 206 31.400 31.400 31.810 -0.410 17717 15064 1 15 . 1 1 207 207 ALA N N 207 125.400 125.400 119.773 5.627 17717 15065 1 15 . 1 1 207 207 ALA HA H 207 4.308 4.308 4.297 0.011 17717 15066 1 15 . 1 1 207 207 ALA CA C 207 51.700 51.700 54.085 -2.385 17717 15067 1 15 . 1 1 207 207 ALA CB C 207 18.200 18.200 18.400 -0.200 17717 15068 1 15 . 1 1 207 207 ALA H H 207 8.400 8.400 7.988 0.412 17717 15069 1 15 . 1 1 208 208 LEU N N 208 121.680 121.680 118.934 2.746 17717 15070 1 15 . 1 1 208 208 LEU HA H 208 4.480 4.480 4.115 0.365 17717 15071 1 15 . 1 1 208 208 LEU CA C 208 55.100 55.100 56.477 -1.377 17717 15072 1 15 . 1 1 208 208 LEU CB C 208 41.200 41.200 41.886 -0.686 17717 15073 1 15 . 1 1 208 208 LEU H H 208 8.180 8.180 7.629 0.551 17717 15074 1 15 . 1 1 209 209 GLU N N 209 121.147 121.147 119.408 1.739 17717 15075 1 15 . 1 1 209 209 GLU HA H 209 4.180 4.180 3.924 0.256 17717 15076 1 15 . 1 1 209 209 GLU CA C 209 56.477 56.477 60.240 -3.763 17717 15077 1 15 . 1 1 209 209 GLU CB C 209 29.250 29.250 29.252 -0.002 17717 15078 1 15 . 1 1 209 209 GLU H H 209 8.380 8.380 8.161 0.219 17717 15079 1 15 . 1 1 210 210 ASP N N 210 121.147 121.147 119.433 1.714 17717 15080 1 15 . 1 1 210 210 ASP HA H 210 4.260 4.260 4.650 -0.390 17717 15081 1 15 . 1 1 210 210 ASP CA C 210 55.000 55.000 57.124 -2.124 17717 15082 1 15 . 1 1 210 210 ASP CB C 210 37.200 37.200 40.904 -3.704 17717 15083 1 15 . 1 1 210 210 ASP H H 210 8.280 8.280 7.715 0.565 17717 15084 1 15 . 1 1 211 211 LEU N N 211 122.210 122.210 118.947 3.263 17717 15085 1 15 . 1 1 211 211 LEU HA H 211 4.220 4.220 4.045 0.175 17717 15086 1 15 . 1 1 211 211 LEU CA C 211 57.400 57.400 56.686 0.714 17717 15087 1 15 . 1 1 211 211 LEU CB C 211 39.430 39.430 41.511 -2.081 17717 15088 1 15 . 1 1 211 211 LEU H H 211 8.640 8.640 7.549 1.091 17717 15089 1 15 . 1 1 212 212 ARG N N 212 119.550 119.550 120.527 -0.977 17717 15090 1 15 . 1 1 212 212 ARG HA H 212 4.220 4.220 4.023 0.197 17717 15091 1 15 . 1 1 212 212 ARG CA C 212 57.400 57.400 58.891 -1.491 17717 15092 1 15 . 1 1 212 212 ARG CB C 212 29.600 29.600 30.531 -0.931 17717 15093 1 15 . 1 1 212 212 ARG H H 212 7.910 7.910 8.060 -0.150 17717 15094 1 15 . 1 1 213 213 HIS CA C 213 56.200 56.200 56.379 -0.179 17717 15095 1 15 . 1 1 213 213 HIS CB C 213 31.900 31.900 30.166 1.734 17717 15096 1 15 . 1 1 214 214 SER N N 214 116.366 116.366 116.782 -0.416 17717 15097 1 15 . 1 1 214 214 SER HA H 214 4.265 4.265 4.289 -0.024 17717 15098 1 15 . 1 1 214 214 SER CA C 214 61.100 61.100 58.126 2.974 17717 15099 1 15 . 1 1 214 214 SER CB C 214 63.100 63.100 62.264 0.836 17717 15100 1 15 . 1 1 214 214 SER H H 214 8.140 8.140 7.056 1.084 17717 15101 1 15 . 1 1 215 215 LEU N N 215 130.565 130.565 126.670 3.895 17717 15102 1 15 . 1 1 215 215 LEU HA H 215 4.730 4.730 4.620 0.110 17717 15103 1 15 . 1 1 215 215 LEU CA C 215 54.900 54.900 54.398 0.502 17717 15104 1 15 . 1 1 215 215 LEU CB C 215 42.000 42.000 45.472 -3.472 17717 15105 1 15 . 1 1 215 215 LEU H H 215 7.890 7.890 8.034 -0.144 17717 15106 1 16 . 1 1 2 2 GLU N N 2 121.678 121.678 120.435 1.243 17717 15107 1 16 . 1 1 2 2 GLU HA H 2 4.488 4.488 3.905 0.583 17717 15108 1 16 . 1 1 2 2 GLU CA C 2 56.418 56.418 56.110 0.308 17717 15109 1 16 . 1 1 2 2 GLU CB C 2 29.014 29.014 29.930 -0.916 17717 15110 1 16 . 1 1 2 2 GLU H H 2 8.276 8.276 8.384 -0.108 17717 15111 1 16 . 1 1 3 3 PRO CA C 3 62.923 62.923 64.221 -1.298 17717 15112 1 16 . 1 1 3 3 PRO CB C 3 31.547 31.547 32.377 -0.830 17717 15113 1 16 . 1 1 4 4 GLN N N 4 121.147 121.147 115.894 5.253 17717 15114 1 16 . 1 1 4 4 GLN HA H 4 4.349 4.349 4.545 -0.196 17717 15115 1 16 . 1 1 4 4 GLN CA C 4 55.450 55.450 56.407 -0.957 17717 15116 1 16 . 1 1 4 4 GLN CB C 4 28.854 28.854 29.118 -0.264 17717 15117 1 16 . 1 1 4 4 GLN H H 4 8.500 8.500 8.247 0.253 17717 15118 1 16 . 1 1 5 5 SER N N 5 117.429 117.429 114.100 3.329 17717 15119 1 16 . 1 1 5 5 SER HA H 5 4.329 4.329 3.418 0.911 17717 15120 1 16 . 1 1 5 5 SER CA C 5 58.100 58.100 57.646 0.454 17717 15121 1 16 . 1 1 5 5 SER CB C 5 63.485 63.485 63.858 -0.373 17717 15122 1 16 . 1 1 5 5 SER H H 5 8.370 8.370 8.128 0.242 17717 15123 1 16 . 1 1 6 6 GLN N N 6 123.803 123.803 121.146 2.657 17717 15124 1 16 . 1 1 6 6 GLN CA C 6 56.330 56.330 58.335 -2.005 17717 15125 1 16 . 1 1 6 6 GLN CB C 6 28.800 28.800 28.121 0.679 17717 15126 1 16 . 1 1 6 6 GLN H H 6 8.620 8.620 8.431 0.189 17717 15127 1 16 . 1 1 7 7 TRP N N 7 119.022 119.022 119.844 -0.822 17717 15128 1 16 . 1 1 7 7 TRP HA H 7 4.394 4.394 4.362 0.032 17717 15129 1 16 . 1 1 7 7 TRP CA C 7 59.800 59.800 60.219 -0.419 17717 15130 1 16 . 1 1 7 7 TRP CB C 7 27.800 27.800 28.422 -0.622 17717 15131 1 16 . 1 1 7 7 TRP H H 7 7.970 7.970 8.002 -0.032 17717 15132 1 16 . 1 1 8 8 ASP N N 8 121.678 121.678 120.129 1.549 17717 15133 1 16 . 1 1 8 8 ASP HA H 8 4.409 4.409 4.383 0.026 17717 15134 1 16 . 1 1 8 8 ASP CA C 8 56.912 56.912 57.535 -0.623 17717 15135 1 16 . 1 1 8 8 ASP CB C 8 38.400 38.400 39.827 -1.427 17717 15136 1 16 . 1 1 8 8 ASP H H 8 8.440 8.440 7.470 0.970 17717 15137 1 16 . 1 1 9 9 LYS N N 9 120.616 120.616 120.541 0.075 17717 15138 1 16 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.197 -0.107 17717 15139 1 16 . 1 1 9 9 LYS CA C 9 58.277 58.277 58.773 -0.496 17717 15140 1 16 . 1 1 9 9 LYS CB C 9 31.550 31.550 32.085 -0.535 17717 15141 1 16 . 1 1 9 9 LYS H H 9 7.830 7.830 7.209 0.621 17717 15142 1 16 . 1 1 10 10 VAL N N 10 118.491 118.491 115.654 2.837 17717 15143 1 16 . 1 1 10 10 VAL HA H 10 3.830 3.830 4.227 -0.397 17717 15144 1 16 . 1 1 10 10 VAL CA C 10 65.630 65.630 66.790 -1.159 17717 15145 1 16 . 1 1 10 10 VAL CB C 10 31.300 31.300 31.387 -0.087 17717 15146 1 16 . 1 1 10 10 VAL H H 10 7.160 7.160 8.149 -0.989 17717 15147 1 16 . 1 1 11 11 LYS N N 11 122.210 122.210 119.178 3.032 17717 15148 1 16 . 1 1 11 11 LYS HA H 11 3.880 3.880 3.898 -0.018 17717 15149 1 16 . 1 1 11 11 LYS CA C 11 59.460 59.460 59.313 0.147 17717 15150 1 16 . 1 1 11 11 LYS CB C 11 31.200 31.200 32.071 -0.871 17717 15151 1 16 . 1 1 11 11 LYS H H 11 8.660 8.660 7.751 0.909 17717 15152 1 16 . 1 1 12 12 ASP N N 12 119.553 119.553 120.802 -1.249 17717 15153 1 16 . 1 1 12 12 ASP HA H 12 4.140 4.140 4.403 -0.263 17717 15154 1 16 . 1 1 12 12 ASP CA C 12 57.381 57.381 57.182 0.199 17717 15155 1 16 . 1 1 12 12 ASP CB C 12 39.800 39.800 40.783 -0.983 17717 15156 1 16 . 1 1 12 12 ASP H H 12 7.790 7.790 7.935 -0.145 17717 15157 1 16 . 1 1 13 13 PHE N N 13 116.500 116.500 119.096 -2.596 17717 15158 1 16 . 1 1 13 13 PHE HA H 13 4.690 4.690 4.285 0.405 17717 15159 1 16 . 1 1 13 13 PHE CA C 13 58.662 58.662 60.346 -1.684 17717 15160 1 16 . 1 1 13 13 PHE CB C 13 38.700 38.700 37.980 0.720 17717 15161 1 16 . 1 1 13 13 PHE H H 13 7.680 7.680 7.741 -0.061 17717 15162 1 16 . 1 1 14 14 ALA N N 14 122.209 122.209 122.756 -0.547 17717 15163 1 16 . 1 1 14 14 ALA HA H 14 4.008 4.008 3.717 0.291 17717 15164 1 16 . 1 1 14 14 ALA CA C 14 54.550 54.550 54.690 -0.140 17717 15165 1 16 . 1 1 14 14 ALA CB C 14 17.250 17.250 17.912 -0.662 17717 15166 1 16 . 1 1 14 14 ALA H H 14 8.760 8.760 7.346 1.414 17717 15167 1 16 . 1 1 15 15 ASN N N 15 119.553 119.553 115.520 4.033 17717 15168 1 16 . 1 1 15 15 ASN HA H 15 4.520 4.520 4.336 0.184 17717 15169 1 16 . 1 1 15 15 ASN CA C 15 56.084 56.084 55.093 0.991 17717 15170 1 16 . 1 1 15 15 ASN CB C 15 38.544 38.544 38.565 -0.021 17717 15171 1 16 . 1 1 15 15 ASN H H 15 8.930 8.930 7.526 1.404 17717 15172 1 16 . 1 1 16 16 VAL N N 16 116.897 116.897 121.620 -4.723 17717 15173 1 16 . 1 1 16 16 VAL HA H 16 3.590 3.590 3.580 0.010 17717 15174 1 16 . 1 1 16 16 VAL CA C 16 64.600 64.600 67.862 -3.262 17717 15175 1 16 . 1 1 16 16 VAL CB C 16 31.800 31.800 31.709 0.091 17717 15176 1 16 . 1 1 16 16 VAL H H 16 7.870 7.870 7.494 0.376 17717 15177 1 16 . 1 1 17 17 TYR N N 17 112.116 112.116 117.937 -5.821 17717 15178 1 16 . 1 1 17 17 TYR HA H 17 4.751 4.751 4.268 0.483 17717 15179 1 16 . 1 1 17 17 TYR CA C 17 59.040 59.040 61.153 -2.113 17717 15180 1 16 . 1 1 17 17 TYR CB C 17 39.060 39.060 37.276 1.784 17717 15181 1 16 . 1 1 17 17 TYR H H 17 8.000 8.000 8.316 -0.316 17717 15182 1 16 . 1 1 18 18 VAL N N 18 114.241 114.241 120.150 -5.909 17717 15183 1 16 . 1 1 18 18 VAL HA H 18 4.220 4.220 3.257 0.963 17717 15184 1 16 . 1 1 18 18 VAL CA C 18 63.520 63.520 66.709 -3.188 17717 15185 1 16 . 1 1 18 18 VAL CB C 18 31.128 31.128 31.281 -0.153 17717 15186 1 16 . 1 1 18 18 VAL H H 18 7.600 7.600 6.729 0.871 17717 15187 1 16 . 1 1 19 19 ASP N N 19 123.272 123.272 119.841 3.431 17717 15188 1 16 . 1 1 19 19 ASP HA H 19 4.523 4.523 4.183 0.340 17717 15189 1 16 . 1 1 19 19 ASP CA C 19 56.445 56.445 57.239 -0.794 17717 15190 1 16 . 1 1 19 19 ASP CB C 19 38.700 38.700 40.759 -2.059 17717 15191 1 16 . 1 1 19 19 ASP H H 19 8.890 8.890 8.037 0.853 17717 15192 1 16 . 1 1 20 20 ALA N N 20 118.491 118.491 122.596 -4.105 17717 15193 1 16 . 1 1 20 20 ALA HA H 20 4.230 4.230 4.205 0.025 17717 15194 1 16 . 1 1 20 20 ALA CA C 20 54.100 54.100 55.308 -1.208 17717 15195 1 16 . 1 1 20 20 ALA CB C 20 18.760 18.760 18.913 -0.153 17717 15196 1 16 . 1 1 20 20 ALA H H 20 6.630 6.630 7.577 -0.947 17717 15197 1 16 . 1 1 21 21 VAL N N 21 116.897 116.897 116.106 0.791 17717 15198 1 16 . 1 1 21 21 VAL HA H 21 3.664 3.664 3.718 -0.054 17717 15199 1 16 . 1 1 21 21 VAL CA C 21 66.200 66.200 65.579 0.621 17717 15200 1 16 . 1 1 21 21 VAL CB C 21 30.460 30.460 31.462 -1.002 17717 15201 1 16 . 1 1 21 21 VAL H H 21 7.410 7.410 7.597 -0.187 17717 15202 1 16 . 1 1 22 22 LYS N N 22 121.147 121.147 119.507 1.640 17717 15203 1 16 . 1 1 22 22 LYS HA H 22 4.222 4.222 3.963 0.259 17717 15204 1 16 . 1 1 22 22 LYS CA C 22 59.300 59.300 59.346 -0.046 17717 15205 1 16 . 1 1 22 22 LYS CB C 22 31.100 31.100 31.870 -0.770 17717 15206 1 16 . 1 1 22 22 LYS H H 22 8.180 8.180 8.199 -0.019 17717 15207 1 16 . 1 1 23 23 ASP N N 23 121.278 121.278 118.875 2.403 17717 15208 1 16 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.528 0.038 17717 15209 1 16 . 1 1 23 23 ASP CA C 23 56.300 56.300 56.802 -0.502 17717 15210 1 16 . 1 1 23 23 ASP CB C 23 38.800 38.800 40.801 -2.002 17717 15211 1 16 . 1 1 23 23 ASP H H 23 8.860 8.860 7.718 1.142 17717 15212 1 16 . 1 1 24 24 SER N N 24 118.491 118.491 114.483 4.008 17717 15213 1 16 . 1 1 24 24 SER HA H 24 4.132 4.132 3.837 0.295 17717 15214 1 16 . 1 1 24 24 SER CA C 24 61.600 61.600 61.050 0.550 17717 15215 1 16 . 1 1 24 24 SER CB C 24 62.442 62.442 62.523 -0.081 17717 15216 1 16 . 1 1 24 24 SER H H 24 7.950 7.950 7.952 -0.002 17717 15217 1 16 . 1 1 25 25 GLY N N 25 108.377 108.377 110.867 -2.490 17717 15218 1 16 . 1 1 25 25 GLY CA C 25 44.400 44.400 46.870 -2.470 17717 15219 1 16 . 1 1 25 25 GLY H H 25 7.560 7.560 8.137 -0.578 17717 15220 1 16 . 1 1 26 26 ARG N N 26 124.240 124.240 121.059 3.181 17717 15221 1 16 . 1 1 26 26 ARG HA H 26 4.303 4.303 4.182 0.121 17717 15222 1 16 . 1 1 26 26 ARG CA C 26 54.000 54.000 58.119 -4.119 17717 15223 1 16 . 1 1 26 26 ARG CB C 26 28.240 28.240 30.068 -1.828 17717 15224 1 16 . 1 1 26 26 ARG H H 26 8.200 8.200 7.720 0.480 17717 15225 1 16 . 1 1 27 27 ASP N N 27 121.678 121.678 118.477 3.201 17717 15226 1 16 . 1 1 27 27 ASP HA H 27 4.211 4.211 4.520 -0.309 17717 15227 1 16 . 1 1 27 27 ASP CA C 27 58.380 58.380 58.010 0.370 17717 15228 1 16 . 1 1 27 27 ASP CB C 27 40.400 40.400 41.519 -1.119 17717 15229 1 16 . 1 1 27 27 ASP H H 27 7.880 7.880 7.672 0.208 17717 15230 1 16 . 1 1 28 28 TYR N N 28 121.440 121.440 121.617 -0.177 17717 15231 1 16 . 1 1 28 28 TYR HA H 28 4.480 4.480 4.859 -0.379 17717 15232 1 16 . 1 1 28 28 TYR CA C 28 57.800 57.800 60.381 -2.581 17717 15233 1 16 . 1 1 28 28 TYR CB C 28 38.322 38.322 39.151 -0.829 17717 15234 1 16 . 1 1 28 28 TYR H H 28 8.020 8.020 8.523 -0.503 17717 15235 1 16 . 1 1 29 29 VAL N N 29 123.272 123.272 118.547 4.725 17717 15236 1 16 . 1 1 29 29 VAL HA H 29 4.040 4.040 3.642 0.398 17717 15237 1 16 . 1 1 29 29 VAL CA C 29 66.400 66.400 64.773 1.627 17717 15238 1 16 . 1 1 29 29 VAL CB C 29 30.500 30.500 31.029 -0.529 17717 15239 1 16 . 1 1 29 29 VAL H H 29 8.280 8.280 7.917 0.363 17717 15240 1 16 . 1 1 30 30 SER N N 30 117.429 117.429 116.246 1.183 17717 15241 1 16 . 1 1 30 30 SER HA H 30 4.000 4.000 4.115 -0.115 17717 15242 1 16 . 1 1 30 30 SER CA C 30 61.070 61.070 61.886 -0.816 17717 15243 1 16 . 1 1 30 30 SER CB C 30 62.000 62.000 62.688 -0.688 17717 15244 1 16 . 1 1 30 30 SER H H 30 8.930 8.930 7.643 1.287 17717 15245 1 16 . 1 1 31 31 GLN N N 31 121.147 121.147 121.362 -0.215 17717 15246 1 16 . 1 1 31 31 GLN HA H 31 4.136 4.136 4.034 0.102 17717 15247 1 16 . 1 1 31 31 GLN CA C 31 58.210 58.210 58.568 -0.358 17717 15248 1 16 . 1 1 31 31 GLN CB C 31 27.600 27.600 28.510 -0.910 17717 15249 1 16 . 1 1 31 31 GLN H H 31 7.740 7.740 7.428 0.312 17717 15250 1 16 . 1 1 32 32 PHE N N 32 117.429 117.429 119.836 -2.407 17717 15251 1 16 . 1 1 32 32 PHE HA H 32 4.020 4.020 3.905 0.115 17717 15252 1 16 . 1 1 32 32 PHE CA C 32 60.600 60.600 61.227 -0.627 17717 15253 1 16 . 1 1 32 32 PHE CB C 32 36.896 36.896 38.643 -1.747 17717 15254 1 16 . 1 1 32 32 PHE H H 32 7.200 7.200 7.577 -0.377 17717 15255 1 16 . 1 1 33 33 GLU N N 33 122.210 122.210 118.041 4.169 17717 15256 1 16 . 1 1 33 33 GLU HA H 33 4.769 4.769 3.479 1.290 17717 15257 1 16 . 1 1 33 33 GLU CA C 33 59.220 59.220 58.684 0.536 17717 15258 1 16 . 1 1 33 33 GLU CB C 33 29.240 29.240 28.999 0.241 17717 15259 1 16 . 1 1 33 33 GLU H H 33 8.160 8.160 7.681 0.479 17717 15260 1 16 . 1 1 34 34 SER N N 34 109.991 109.991 113.747 -3.756 17717 15261 1 16 . 1 1 34 34 SER HA H 34 4.309 4.309 4.234 0.075 17717 15262 1 16 . 1 1 34 34 SER CA C 34 58.240 58.240 60.494 -2.254 17717 15263 1 16 . 1 1 34 34 SER CB C 34 63.260 63.260 62.789 0.471 17717 15264 1 16 . 1 1 34 34 SER H H 34 7.890 7.890 7.612 0.278 17717 15265 1 16 . 1 1 35 35 SER N N 35 120.085 120.085 117.771 2.314 17717 15266 1 16 . 1 1 35 35 SER HA H 35 4.354 4.354 4.063 0.291 17717 15267 1 16 . 1 1 35 35 SER CA C 35 58.100 58.100 61.817 -3.717 17717 15268 1 16 . 1 1 35 35 SER CB C 35 64.398 64.398 62.674 1.724 17717 15269 1 16 . 1 1 35 35 SER H H 35 7.420 7.420 7.872 -0.452 17717 15270 1 16 . 1 1 36 36 SER N N 36 116.130 116.130 118.794 -2.664 17717 15271 1 16 . 1 1 36 36 SER HA H 36 4.350 4.350 4.058 0.292 17717 15272 1 16 . 1 1 36 36 SER CA C 36 58.600 58.600 61.861 -3.261 17717 15273 1 16 . 1 1 36 36 SER CB C 36 63.370 63.370 62.794 0.576 17717 15274 1 16 . 1 1 36 36 SER H H 36 8.100 8.100 7.481 0.619 17717 15275 1 16 . 1 1 37 37 LEU N N 37 121.678 121.678 121.416 0.262 17717 15276 1 16 . 1 1 37 37 LEU HA H 37 4.222 4.222 4.077 0.145 17717 15277 1 16 . 1 1 37 37 LEU CA C 37 56.400 56.400 57.008 -0.608 17717 15278 1 16 . 1 1 37 37 LEU CB C 37 41.200 41.200 41.806 -0.606 17717 15279 1 16 . 1 1 37 37 LEU H H 37 8.290 8.290 7.402 0.888 17717 15280 1 16 . 1 1 38 38 GLY N N 38 108.400 108.400 104.659 3.741 17717 15281 1 16 . 1 1 38 38 GLY CA C 38 46.220 46.220 46.493 -0.273 17717 15282 1 16 . 1 1 38 38 GLY H H 38 7.280 7.280 8.005 -0.725 17717 15283 1 16 . 1 1 39 39 GLN N N 39 120.920 120.920 122.305 -1.385 17717 15284 1 16 . 1 1 39 39 GLN HA H 39 4.092 4.092 3.982 0.110 17717 15285 1 16 . 1 1 39 39 GLN CA C 39 57.423 57.423 58.575 -1.152 17717 15286 1 16 . 1 1 39 39 GLN CB C 39 28.847 28.847 28.377 0.470 17717 15287 1 16 . 1 1 39 39 GLN H H 39 8.360 8.360 7.748 0.612 17717 15288 1 16 . 1 1 40 40 GLN N N 40 118.648 118.648 118.866 -0.218 17717 15289 1 16 . 1 1 40 40 GLN HA H 40 4.040 4.040 4.061 -0.021 17717 15290 1 16 . 1 1 40 40 GLN CA C 40 57.471 57.471 58.320 -0.849 17717 15291 1 16 . 1 1 40 40 GLN CB C 40 28.777 28.777 28.308 0.469 17717 15292 1 16 . 1 1 40 40 GLN H H 40 7.630 7.630 7.669 -0.039 17717 15293 1 16 . 1 1 41 41 LEU N N 41 116.800 116.800 121.800 -5.000 17717 15294 1 16 . 1 1 41 41 LEU HA H 41 4.222 4.222 3.968 0.254 17717 15295 1 16 . 1 1 41 41 LEU CA C 41 55.400 55.400 58.148 -2.748 17717 15296 1 16 . 1 1 41 41 LEU CB C 41 41.754 41.754 41.983 -0.229 17717 15297 1 16 . 1 1 41 41 LEU H H 41 8.010 8.010 7.863 0.147 17717 15298 1 16 . 1 1 42 42 ASN N N 42 115.840 115.840 117.572 -1.732 17717 15299 1 16 . 1 1 42 42 ASN HA H 42 4.485 4.485 4.401 0.084 17717 15300 1 16 . 1 1 42 42 ASN CA C 42 53.500 53.500 56.267 -2.767 17717 15301 1 16 . 1 1 42 42 ASN CB C 42 37.000 37.000 38.580 -1.579 17717 15302 1 16 . 1 1 42 42 ASN H H 42 7.840 7.840 7.741 0.099 17717 15303 1 16 . 1 1 43 43 LEU N N 43 118.490 118.490 120.065 -1.575 17717 15304 1 16 . 1 1 43 43 LEU HA H 43 4.480 4.480 4.142 0.338 17717 15305 1 16 . 1 1 43 43 LEU CA C 43 55.502 55.502 57.430 -1.928 17717 15306 1 16 . 1 1 43 43 LEU CB C 43 41.200 41.200 41.300 -0.100 17717 15307 1 16 . 1 1 43 43 LEU H H 43 9.670 9.670 7.920 1.750 17717 15308 1 16 . 1 1 44 44 ASN N N 44 119.553 119.553 117.392 2.161 17717 15309 1 16 . 1 1 44 44 ASN HA H 44 4.520 4.520 4.439 0.081 17717 15310 1 16 . 1 1 44 44 ASN CA C 44 52.770 52.770 56.498 -3.728 17717 15311 1 16 . 1 1 44 44 ASN CB C 44 36.200 36.200 38.543 -2.343 17717 15312 1 16 . 1 1 44 44 ASN H H 44 8.950 8.950 8.016 0.934 17717 15313 1 16 . 1 1 45 45 LEU N N 45 119.553 119.553 117.837 1.716 17717 15314 1 16 . 1 1 45 45 LEU HA H 45 4.048 4.048 4.268 -0.220 17717 15315 1 16 . 1 1 45 45 LEU CA C 45 55.569 55.569 58.098 -2.529 17717 15316 1 16 . 1 1 45 45 LEU CB C 45 41.250 41.250 41.502 -0.252 17717 15317 1 16 . 1 1 45 45 LEU H H 45 8.970 8.970 7.686 1.284 17717 15318 1 16 . 1 1 46 46 LEU N N 46 116.900 116.900 119.125 -2.225 17717 15319 1 16 . 1 1 46 46 LEU HA H 46 4.351 4.351 4.233 0.118 17717 15320 1 16 . 1 1 46 46 LEU CA C 46 54.684 54.684 57.771 -3.087 17717 15321 1 16 . 1 1 46 46 LEU CB C 46 39.800 39.800 42.214 -2.414 17717 15322 1 16 . 1 1 46 46 LEU H H 46 8.450 8.450 7.227 1.223 17717 15323 1 16 . 1 1 47 47 GLU N N 47 122.741 122.741 119.223 3.518 17717 15324 1 16 . 1 1 47 47 GLU HA H 47 4.018 4.018 4.007 0.011 17717 15325 1 16 . 1 1 47 47 GLU CA C 47 58.280 58.280 59.659 -1.379 17717 15326 1 16 . 1 1 47 47 GLU CB C 47 28.800 28.800 29.174 -0.374 17717 15327 1 16 . 1 1 47 47 GLU H H 47 7.490 7.490 8.140 -0.650 17717 15328 1 16 . 1 1 48 48 ASN N N 48 117.200 117.200 117.569 -0.369 17717 15329 1 16 . 1 1 48 48 ASN HA H 48 4.300 4.300 4.604 -0.304 17717 15330 1 16 . 1 1 48 48 ASN CA C 48 53.550 53.550 55.432 -1.883 17717 15331 1 16 . 1 1 48 48 ASN CB C 48 38.490 38.490 38.853 -0.363 17717 15332 1 16 . 1 1 48 48 ASN H H 48 8.450 8.450 8.518 -0.068 17717 15333 1 16 . 1 1 49 49 TRP N N 49 119.320 119.320 121.063 -1.743 17717 15334 1 16 . 1 1 49 49 TRP HA H 49 4.300 4.300 4.423 -0.123 17717 15335 1 16 . 1 1 49 49 TRP CA C 49 56.200 56.200 60.478 -4.278 17717 15336 1 16 . 1 1 49 49 TRP CB C 49 27.800 27.800 29.399 -1.599 17717 15337 1 16 . 1 1 49 49 TRP H H 49 8.050 8.050 7.666 0.384 17717 15338 1 16 . 1 1 50 50 ASP N N 50 124.860 124.860 116.606 8.254 17717 15339 1 16 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.390 0.300 17717 15340 1 16 . 1 1 50 50 ASP CA C 50 54.180 54.180 55.188 -1.008 17717 15341 1 16 . 1 1 50 50 ASP CB C 50 40.318 40.318 42.402 -2.084 17717 15342 1 16 . 1 1 50 50 ASP H H 50 8.470 8.470 7.780 0.690 17717 15343 1 16 . 1 1 51 51 THR N N 51 114.240 114.240 111.298 2.942 17717 15344 1 16 . 1 1 51 51 THR HA H 51 4.250 4.250 4.383 -0.133 17717 15345 1 16 . 1 1 51 51 THR CA C 51 61.800 61.800 62.162 -0.362 17717 15346 1 16 . 1 1 51 51 THR CB C 51 69.000 69.000 70.206 -1.206 17717 15347 1 16 . 1 1 51 51 THR H H 51 7.920 7.920 8.185 -0.265 17717 15348 1 16 . 1 1 52 52 LEU N N 52 124.335 124.335 126.270 -1.935 17717 15349 1 16 . 1 1 52 52 LEU HA H 52 4.261 4.261 4.199 0.062 17717 15350 1 16 . 1 1 52 52 LEU CA C 52 54.800 54.800 56.667 -1.867 17717 15351 1 16 . 1 1 52 52 LEU CB C 52 41.200 41.200 42.552 -1.352 17717 15352 1 16 . 1 1 52 52 LEU H H 52 8.000 8.000 8.584 -0.584 17717 15353 1 16 . 1 1 53 53 GLY N N 53 109.991 109.991 112.443 -2.452 17717 15354 1 16 . 1 1 53 53 GLY CA C 53 44.700 44.700 44.771 -0.071 17717 15355 1 16 . 1 1 53 53 GLY H H 53 8.450 8.450 8.027 0.423 17717 15356 1 16 . 1 1 54 54 SER N N 54 113.710 113.710 116.698 -2.988 17717 15357 1 16 . 1 1 54 54 SER HA H 54 4.480 4.480 4.365 0.115 17717 15358 1 16 . 1 1 54 54 SER CA C 54 57.300 57.300 59.053 -1.753 17717 15359 1 16 . 1 1 54 54 SER CB C 54 63.100 63.100 63.959 -0.859 17717 15360 1 16 . 1 1 54 54 SER H H 54 8.060 8.060 8.312 -0.252 17717 15361 1 16 . 1 1 55 55 THR N N 55 116.897 116.897 121.937 -5.040 17717 15362 1 16 . 1 1 55 55 THR HA H 55 4.044 4.044 4.335 -0.291 17717 15363 1 16 . 1 1 55 55 THR CA C 55 61.700 61.700 62.306 -0.606 17717 15364 1 16 . 1 1 55 55 THR CB C 55 69.800 69.800 69.375 0.425 17717 15365 1 16 . 1 1 55 55 THR H H 55 8.210 8.210 8.325 -0.115 17717 15366 1 16 . 1 1 56 56 VAL N N 56 123.300 123.300 118.051 5.249 17717 15367 1 16 . 1 1 56 56 VAL HA H 56 3.793 3.793 3.778 0.015 17717 15368 1 16 . 1 1 56 56 VAL CA C 56 66.384 66.384 63.481 2.903 17717 15369 1 16 . 1 1 56 56 VAL CB C 56 30.268 30.268 30.588 -0.320 17717 15370 1 16 . 1 1 56 56 VAL H H 56 8.280 8.280 7.788 0.492 17717 15371 1 16 . 1 1 57 57 SER N N 57 117.429 117.429 114.503 2.926 17717 15372 1 16 . 1 1 57 57 SER HA H 57 4.136 4.136 4.343 -0.207 17717 15373 1 16 . 1 1 57 57 SER CA C 57 61.100 61.100 60.049 1.051 17717 15374 1 16 . 1 1 57 57 SER CB C 57 62.800 62.800 63.501 -0.701 17717 15375 1 16 . 1 1 57 57 SER H H 57 7.850 7.850 8.465 -0.615 17717 15376 1 16 . 1 1 58 58 GLN N N 58 128.580 128.580 117.788 10.792 17717 15377 1 16 . 1 1 58 58 GLN HA H 58 4.260 4.260 4.483 -0.223 17717 15378 1 16 . 1 1 58 58 GLN CA C 58 56.642 56.642 57.005 -0.363 17717 15379 1 16 . 1 1 58 58 GLN CB C 58 29.023 29.023 29.844 -0.821 17717 15380 1 16 . 1 1 58 58 GLN H H 58 7.990 7.990 8.079 -0.089 17717 15381 1 16 . 1 1 59 59 LEU N N 59 122.210 122.210 119.827 2.383 17717 15382 1 16 . 1 1 59 59 LEU HA H 59 4.310 4.310 3.869 0.441 17717 15383 1 16 . 1 1 59 59 LEU CA C 59 55.300 55.300 58.651 -3.351 17717 15384 1 16 . 1 1 59 59 LEU CB C 59 41.160 41.160 40.789 0.371 17717 15385 1 16 . 1 1 59 59 LEU H H 59 8.050 8.050 8.180 -0.130 17717 15386 1 16 . 1 1 60 60 GLN N N 60 120.085 120.085 118.238 1.847 17717 15387 1 16 . 1 1 60 60 GLN HA H 60 4.222 4.222 4.160 0.062 17717 15388 1 16 . 1 1 60 60 GLN CA C 60 55.960 55.960 58.848 -2.888 17717 15389 1 16 . 1 1 60 60 GLN CB C 60 27.900 27.900 27.861 0.039 17717 15390 1 16 . 1 1 60 60 GLN H H 60 8.210 8.210 8.559 -0.349 17717 15391 1 16 . 1 1 61 61 GLU N N 61 120.920 120.920 119.019 1.901 17717 15392 1 16 . 1 1 61 61 GLU HA H 61 4.216 4.216 3.981 0.235 17717 15393 1 16 . 1 1 61 61 GLU CA C 61 56.900 56.900 59.288 -2.388 17717 15394 1 16 . 1 1 61 61 GLU CB C 61 28.500 28.500 29.401 -0.900 17717 15395 1 16 . 1 1 61 61 GLU H H 61 8.590 8.590 8.514 0.076 17717 15396 1 16 . 1 1 62 62 ARG N N 62 118.833 118.833 117.872 0.961 17717 15397 1 16 . 1 1 62 62 ARG HA H 62 4.161 4.161 4.171 -0.010 17717 15398 1 16 . 1 1 62 62 ARG CA C 62 58.030 58.030 58.163 -0.133 17717 15399 1 16 . 1 1 62 62 ARG CB C 62 29.400 29.400 30.284 -0.884 17717 15400 1 16 . 1 1 62 62 ARG H H 62 7.680 7.680 8.260 -0.580 17717 15401 1 16 . 1 1 63 63 LEU N N 63 118.790 118.790 120.663 -1.873 17717 15402 1 16 . 1 1 63 63 LEU HA H 63 4.100 4.100 4.053 0.047 17717 15403 1 16 . 1 1 63 63 LEU CA C 63 56.360 56.360 57.472 -1.112 17717 15404 1 16 . 1 1 63 63 LEU CB C 63 41.130 41.130 41.347 -0.217 17717 15405 1 16 . 1 1 63 63 LEU H H 63 8.320 8.320 7.622 0.698 17717 15406 1 16 . 1 1 64 64 GLY N N 64 104.679 104.679 108.102 -3.423 17717 15407 1 16 . 1 1 64 64 GLY CA C 64 44.145 44.145 48.054 -3.909 17717 15408 1 16 . 1 1 64 64 GLY H H 64 7.220 7.220 8.229 -1.009 17717 15409 1 16 . 1 1 65 65 PRO CA C 65 62.817 62.817 64.841 -2.024 17717 15410 1 16 . 1 1 65 65 PRO CB C 65 31.290 31.290 31.418 -0.128 17717 15411 1 16 . 1 1 66 66 LEU N N 66 124.866 124.866 120.768 4.098 17717 15412 1 16 . 1 1 66 66 LEU HA H 66 4.609 4.609 4.240 0.369 17717 15413 1 16 . 1 1 66 66 LEU CA C 66 52.900 52.900 58.638 -5.738 17717 15414 1 16 . 1 1 66 66 LEU CB C 66 43.200 43.200 40.983 2.217 17717 15415 1 16 . 1 1 66 66 LEU H H 66 8.550 8.550 7.996 0.554 17717 15416 1 16 . 1 1 67 67 THR N N 67 112.116 112.116 113.131 -1.015 17717 15417 1 16 . 1 1 67 67 THR HA H 67 4.824 4.824 4.463 0.361 17717 15418 1 16 . 1 1 67 67 THR CA C 67 59.240 59.240 66.145 -6.905 17717 15419 1 16 . 1 1 67 67 THR CB C 67 71.550 71.550 69.021 2.529 17717 15420 1 16 . 1 1 67 67 THR H H 67 7.650 7.650 7.973 -0.323 17717 15421 1 16 . 1 1 68 68 ARG N N 68 120.085 120.085 120.051 0.034 17717 15422 1 16 . 1 1 68 68 ARG HA H 68 4.230 4.230 4.072 0.158 17717 15423 1 16 . 1 1 68 68 ARG CA C 68 58.600 58.600 58.930 -0.330 17717 15424 1 16 . 1 1 68 68 ARG CB C 68 28.900 28.900 29.918 -1.018 17717 15425 1 16 . 1 1 68 68 ARG H H 68 8.950 8.950 7.562 1.388 17717 15426 1 16 . 1 1 69 69 ASP N N 69 116.366 116.366 120.328 -3.962 17717 15427 1 16 . 1 1 69 69 ASP HA H 69 4.249 4.249 4.336 -0.087 17717 15428 1 16 . 1 1 69 69 ASP CA C 69 56.100 56.100 58.479 -2.379 17717 15429 1 16 . 1 1 69 69 ASP CB C 69 39.550 39.550 40.656 -1.106 17717 15430 1 16 . 1 1 69 69 ASP H H 69 8.100 8.100 7.848 0.252 17717 15431 1 16 . 1 1 70 70 PHE N N 70 119.553 119.553 118.426 1.127 17717 15432 1 16 . 1 1 70 70 PHE HA H 70 4.090 4.090 3.799 0.291 17717 15433 1 16 . 1 1 70 70 PHE CA C 70 60.700 60.700 59.978 0.722 17717 15434 1 16 . 1 1 70 70 PHE CB C 70 38.100 38.100 37.715 0.385 17717 15435 1 16 . 1 1 70 70 PHE H H 70 7.420 7.420 7.247 0.173 17717 15436 1 16 . 1 1 71 71 TRP N N 71 120.085 120.085 122.230 -2.145 17717 15437 1 16 . 1 1 71 71 TRP HA H 71 4.044 4.044 3.331 0.713 17717 15438 1 16 . 1 1 71 71 TRP CA C 71 58.100 58.100 61.285 -3.185 17717 15439 1 16 . 1 1 71 71 TRP CB C 71 28.100 28.100 28.780 -0.680 17717 15440 1 16 . 1 1 71 71 TRP H H 71 6.950 6.950 7.140 -0.190 17717 15441 1 16 . 1 1 72 72 ASP N N 72 121.450 121.450 118.280 3.170 17717 15442 1 16 . 1 1 72 72 ASP HA H 72 4.310 4.310 3.365 0.945 17717 15443 1 16 . 1 1 72 72 ASP CA C 72 55.350 55.350 56.618 -1.268 17717 15444 1 16 . 1 1 72 72 ASP CB C 72 40.000 40.000 40.304 -0.304 17717 15445 1 16 . 1 1 72 72 ASP H H 72 8.350 8.350 7.766 0.584 17717 15446 1 16 . 1 1 73 73 ASN N N 73 117.200 117.200 118.433 -1.233 17717 15447 1 16 . 1 1 73 73 ASN HA H 73 4.220 4.220 4.324 -0.104 17717 15448 1 16 . 1 1 73 73 ASN CA C 73 54.500 54.500 56.314 -1.814 17717 15449 1 16 . 1 1 73 73 ASN CB C 73 40.000 40.000 38.776 1.224 17717 15450 1 16 . 1 1 73 73 ASN H H 73 7.700 7.700 7.947 -0.247 17717 15451 1 16 . 1 1 74 74 LEU N N 74 123.600 123.600 120.627 2.973 17717 15452 1 16 . 1 1 74 74 LEU HA H 74 4.350 4.350 4.236 0.114 17717 15453 1 16 . 1 1 74 74 LEU CA C 74 54.700 54.700 57.832 -3.132 17717 15454 1 16 . 1 1 74 74 LEU CB C 74 41.400 41.400 42.140 -0.740 17717 15455 1 16 . 1 1 74 74 LEU H H 74 8.330 8.330 8.320 0.010 17717 15456 1 16 . 1 1 75 75 GLU N N 75 121.400 121.400 119.909 1.491 17717 15457 1 16 . 1 1 75 75 GLU HA H 75 4.000 4.000 3.804 0.196 17717 15458 1 16 . 1 1 75 75 GLU CA C 75 58.200 58.200 59.179 -0.979 17717 15459 1 16 . 1 1 75 75 GLU CB C 75 28.400 28.400 28.835 -0.435 17717 15460 1 16 . 1 1 75 75 GLU H H 75 8.600 8.600 8.242 0.358 17717 15461 1 16 . 1 1 76 76 LYS N N 76 118.000 118.000 118.901 -0.901 17717 15462 1 16 . 1 1 76 76 LYS HA H 76 4.117 4.117 4.114 0.003 17717 15463 1 16 . 1 1 76 76 LYS CA C 76 58.400 58.400 58.811 -0.411 17717 15464 1 16 . 1 1 76 76 LYS CB C 76 32.480 32.480 32.409 0.071 17717 15465 1 16 . 1 1 76 76 LYS H H 76 7.690 7.690 7.479 0.211 17717 15466 1 16 . 1 1 77 77 GLU N N 77 115.835 115.835 119.146 -3.311 17717 15467 1 16 . 1 1 77 77 GLU HA H 77 4.310 4.310 3.965 0.345 17717 15468 1 16 . 1 1 77 77 GLU CA C 77 54.785 54.785 60.143 -5.358 17717 15469 1 16 . 1 1 77 77 GLU CB C 77 28.355 28.355 29.363 -1.008 17717 15470 1 16 . 1 1 77 77 GLU H H 77 8.290 8.290 7.903 0.387 17717 15471 1 16 . 1 1 78 78 THR N N 78 120.300 120.300 112.363 7.937 17717 15472 1 16 . 1 1 78 78 THR HA H 78 4.410 4.410 3.893 0.517 17717 15473 1 16 . 1 1 78 78 THR CA C 78 68.100 68.100 66.451 1.649 17717 15474 1 16 . 1 1 78 78 THR CB C 78 69.451 69.451 68.656 0.795 17717 15475 1 16 . 1 1 78 78 THR H H 78 7.490 7.490 8.259 -0.769 17717 15476 1 16 . 1 1 79 79 ASP N N 79 120.085 120.085 121.818 -1.733 17717 15477 1 16 . 1 1 79 79 ASP HA H 79 4.480 4.480 4.366 0.114 17717 15478 1 16 . 1 1 79 79 ASP CA C 79 57.426 57.426 56.898 0.527 17717 15479 1 16 . 1 1 79 79 ASP CB C 79 39.240 39.240 40.574 -1.334 17717 15480 1 16 . 1 1 79 79 ASP H H 79 8.880 8.880 7.730 1.150 17717 15481 1 16 . 1 1 80 80 TRP N N 80 123.803 123.803 122.321 1.482 17717 15482 1 16 . 1 1 80 80 TRP HA H 80 4.280 4.280 4.320 -0.040 17717 15483 1 16 . 1 1 80 80 TRP CA C 80 60.660 60.660 61.871 -1.212 17717 15484 1 16 . 1 1 80 80 TRP CB C 80 27.000 27.000 30.205 -3.205 17717 15485 1 16 . 1 1 80 80 TRP H H 80 7.760 7.760 7.909 -0.149 17717 15486 1 16 . 1 1 81 81 VAL N N 81 118.790 118.790 117.179 1.611 17717 15487 1 16 . 1 1 81 81 VAL HA H 81 4.280 4.280 3.859 0.421 17717 15488 1 16 . 1 1 81 81 VAL CA C 81 61.200 61.200 66.338 -5.138 17717 15489 1 16 . 1 1 81 81 VAL CB C 81 29.900 29.900 31.585 -1.685 17717 15490 1 16 . 1 1 81 81 VAL H H 81 8.160 8.160 8.760 -0.600 17717 15491 1 16 . 1 1 82 82 ARG N N 82 119.190 119.190 119.883 -0.693 17717 15492 1 16 . 1 1 82 82 ARG HA H 82 4.480 4.480 3.955 0.525 17717 15493 1 16 . 1 1 82 82 ARG CA C 82 58.400 58.400 59.330 -0.930 17717 15494 1 16 . 1 1 82 82 ARG CB C 82 29.800 29.800 30.132 -0.332 17717 15495 1 16 . 1 1 82 82 ARG H H 82 7.100 7.100 8.326 -1.226 17717 15496 1 16 . 1 1 83 83 GLN N N 83 117.960 117.960 118.282 -0.322 17717 15497 1 16 . 1 1 83 83 GLN HA H 83 4.222 4.222 3.969 0.253 17717 15498 1 16 . 1 1 83 83 GLN CA C 83 55.600 55.600 58.454 -2.854 17717 15499 1 16 . 1 1 83 83 GLN CB C 83 28.550 28.550 28.235 0.315 17717 15500 1 16 . 1 1 83 83 GLN H H 83 8.050 8.050 7.861 0.189 17717 15501 1 16 . 1 1 84 84 GLU N N 84 119.022 119.022 118.764 0.258 17717 15502 1 16 . 1 1 84 84 GLU HA H 84 4.100 4.100 3.926 0.174 17717 15503 1 16 . 1 1 84 84 GLU CA C 84 57.300 57.300 57.942 -0.642 17717 15504 1 16 . 1 1 84 84 GLU CB C 84 28.600 28.600 28.994 -0.394 17717 15505 1 16 . 1 1 84 84 GLU H H 84 7.920 7.920 8.349 -0.429 17717 15506 1 16 . 1 1 85 85 MET N N 85 117.565 117.565 120.316 -2.751 17717 15507 1 16 . 1 1 85 85 MET HA H 85 4.265 4.265 3.937 0.328 17717 15508 1 16 . 1 1 85 85 MET CA C 85 55.020 55.020 59.387 -4.367 17717 15509 1 16 . 1 1 85 85 MET CB C 85 33.000 33.000 32.136 0.864 17717 15510 1 16 . 1 1 85 85 MET H H 85 8.230 8.230 7.432 0.798 17717 15511 1 16 . 1 1 86 86 ASN N N 86 119.022 119.022 116.435 2.587 17717 15512 1 16 . 1 1 86 86 ASN HA H 86 4.570 4.570 4.446 0.124 17717 15513 1 16 . 1 1 86 86 ASN CA C 86 56.000 56.000 56.309 -0.310 17717 15514 1 16 . 1 1 86 86 ASN CB C 86 37.700 37.700 38.586 -0.886 17717 15515 1 16 . 1 1 86 86 ASN H H 86 8.600 8.600 7.773 0.827 17717 15516 1 16 . 1 1 87 87 LYS N N 87 120.273 120.273 120.599 -0.326 17717 15517 1 16 . 1 1 87 87 LYS HA H 87 4.100 4.100 3.885 0.215 17717 15518 1 16 . 1 1 87 87 LYS CA C 87 59.000 59.000 59.319 -0.319 17717 15519 1 16 . 1 1 87 87 LYS CB C 87 30.900 30.900 32.110 -1.210 17717 15520 1 16 . 1 1 87 87 LYS H H 87 7.220 7.220 7.510 -0.290 17717 15521 1 16 . 1 1 88 88 ASP N N 88 121.147 121.147 118.944 2.203 17717 15522 1 16 . 1 1 88 88 ASP HA H 88 4.480 4.480 4.373 0.107 17717 15523 1 16 . 1 1 88 88 ASP CA C 88 56.840 56.840 57.287 -0.447 17717 15524 1 16 . 1 1 88 88 ASP CB C 88 39.450 39.450 40.632 -1.182 17717 15525 1 16 . 1 1 88 88 ASP H H 88 7.390 7.390 8.042 -0.652 17717 15526 1 16 . 1 1 89 89 LEU N N 89 122.741 122.741 119.558 3.183 17717 15527 1 16 . 1 1 89 89 LEU HA H 89 4.470 4.470 3.947 0.523 17717 15528 1 16 . 1 1 89 89 LEU CA C 89 57.000 57.000 58.752 -1.752 17717 15529 1 16 . 1 1 89 89 LEU CB C 89 41.000 41.000 42.197 -1.197 17717 15530 1 16 . 1 1 89 89 LEU H H 89 8.910 8.910 7.483 1.427 17717 15531 1 16 . 1 1 90 90 GLU N N 90 119.553 119.553 117.654 1.899 17717 15532 1 16 . 1 1 90 90 GLU HA H 90 4.050 4.050 4.148 -0.098 17717 15533 1 16 . 1 1 90 90 GLU CA C 90 59.100 59.100 58.481 0.619 17717 15534 1 16 . 1 1 90 90 GLU CB C 90 28.556 28.556 29.626 -1.070 17717 15535 1 16 . 1 1 90 90 GLU H H 90 8.260 8.260 7.855 0.405 17717 15536 1 16 . 1 1 91 91 GLU N N 91 119.190 119.190 120.112 -0.922 17717 15537 1 16 . 1 1 91 91 GLU HA H 91 4.136 4.136 4.152 -0.016 17717 15538 1 16 . 1 1 91 91 GLU CA C 91 58.600 58.600 59.237 -0.637 17717 15539 1 16 . 1 1 91 91 GLU CB C 91 28.600 28.600 29.926 -1.326 17717 15540 1 16 . 1 1 91 91 GLU H H 91 7.470 7.470 8.120 -0.650 17717 15541 1 16 . 1 1 92 92 VAL N N 92 122.230 122.230 115.788 6.442 17717 15542 1 16 . 1 1 92 92 VAL HA H 92 3.837 3.837 3.954 -0.117 17717 15543 1 16 . 1 1 92 92 VAL CA C 92 65.900 65.900 66.314 -0.413 17717 15544 1 16 . 1 1 92 92 VAL CB C 92 29.200 29.200 32.090 -2.890 17717 15545 1 16 . 1 1 92 92 VAL H H 92 8.420 8.420 8.270 0.150 17717 15546 1 16 . 1 1 93 93 LYS N N 93 121.300 121.300 118.912 2.388 17717 15547 1 16 . 1 1 93 93 LYS HA H 93 3.836 3.836 4.143 -0.307 17717 15548 1 16 . 1 1 93 93 LYS CA C 93 59.900 59.900 58.813 1.087 17717 15549 1 16 . 1 1 93 93 LYS CB C 93 31.277 31.277 31.873 -0.596 17717 15550 1 16 . 1 1 93 93 LYS H H 93 9.000 9.000 7.708 1.292 17717 15551 1 16 . 1 1 94 94 GLN N N 94 116.900 116.900 116.955 -0.055 17717 15552 1 16 . 1 1 94 94 GLN HA H 94 4.094 4.094 4.295 -0.201 17717 15553 1 16 . 1 1 94 94 GLN CA C 94 57.731 57.731 57.596 0.134 17717 15554 1 16 . 1 1 94 94 GLN CB C 94 27.700 27.700 28.624 -0.924 17717 15555 1 16 . 1 1 94 94 GLN H H 94 7.320 7.320 7.630 -0.310 17717 15556 1 16 . 1 1 95 95 LYS N N 95 119.190 119.190 118.965 0.225 17717 15557 1 16 . 1 1 95 95 LYS HA H 95 4.137 4.137 4.240 -0.103 17717 15558 1 16 . 1 1 95 95 LYS CA C 95 57.700 57.700 58.827 -1.127 17717 15559 1 16 . 1 1 95 95 LYS CB C 95 31.800 31.800 33.229 -1.429 17717 15560 1 16 . 1 1 95 95 LYS H H 95 7.590 7.590 7.609 -0.019 17717 15561 1 16 . 1 1 96 96 VAL N N 96 111.000 111.000 117.089 -6.089 17717 15562 1 16 . 1 1 96 96 VAL HA H 96 4.138 4.138 3.718 0.420 17717 15563 1 16 . 1 1 96 96 VAL CA C 96 61.600 61.600 65.247 -3.647 17717 15564 1 16 . 1 1 96 96 VAL CB C 96 31.500 31.500 31.355 0.145 17717 15565 1 16 . 1 1 96 96 VAL H H 96 7.960 7.960 7.703 0.257 17717 15566 1 16 . 1 1 97 97 GLN N N 97 122.210 122.210 119.708 2.502 17717 15567 1 16 . 1 1 97 97 GLN HA H 97 4.030 4.030 3.939 0.091 17717 15568 1 16 . 1 1 97 97 GLN CA C 97 59.226 59.226 58.501 0.725 17717 15569 1 16 . 1 1 97 97 GLN CB C 97 24.578 24.578 26.968 -2.390 17717 15570 1 16 . 1 1 97 97 GLN H H 97 7.380 7.380 8.281 -0.901 17717 15571 1 16 . 1 1 98 98 PRO CA C 98 65.400 65.400 63.317 2.083 17717 15572 1 16 . 1 1 98 98 PRO CB C 98 30.336 30.336 32.240 -1.904 17717 15573 1 16 . 1 1 99 99 TYR N N 99 116.900 116.900 115.731 1.169 17717 15574 1 16 . 1 1 99 99 TYR HA H 99 4.480 4.480 4.155 0.325 17717 15575 1 16 . 1 1 99 99 TYR CA C 99 58.446 58.446 58.351 0.095 17717 15576 1 16 . 1 1 99 99 TYR CB C 99 36.344 36.344 35.812 0.532 17717 15577 1 16 . 1 1 99 99 TYR H H 99 7.100 7.100 8.094 -0.994 17717 15578 1 16 . 1 1 100 100 LEU N N 100 123.270 123.270 124.601 -1.331 17717 15579 1 16 . 1 1 100 100 LEU HA H 100 3.964 3.964 4.609 -0.645 17717 15580 1 16 . 1 1 100 100 LEU CA C 100 57.300 57.300 55.674 1.626 17717 15581 1 16 . 1 1 100 100 LEU CB C 100 40.950 40.950 42.838 -1.888 17717 15582 1 16 . 1 1 100 100 LEU H H 100 7.500 7.500 8.392 -0.892 17717 15583 1 16 . 1 1 101 101 ASP N N 101 119.500 119.500 117.636 1.864 17717 15584 1 16 . 1 1 101 101 ASP HA H 101 3.810 3.810 4.525 -0.715 17717 15585 1 16 . 1 1 101 101 ASP CA C 101 58.200 58.200 54.103 4.097 17717 15586 1 16 . 1 1 101 101 ASP CB C 101 39.100 39.100 39.307 -0.207 17717 15587 1 16 . 1 1 101 101 ASP H H 101 8.450 8.450 8.096 0.354 17717 15588 1 16 . 1 1 102 102 GLU N N 102 121.221 121.221 121.597 -0.376 17717 15589 1 16 . 1 1 102 102 GLU HA H 102 4.222 4.222 4.012 0.210 17717 15590 1 16 . 1 1 102 102 GLU CA C 102 59.200 59.200 58.468 0.733 17717 15591 1 16 . 1 1 102 102 GLU CB C 102 31.100 31.100 28.477 2.623 17717 15592 1 16 . 1 1 102 102 GLU H H 102 8.190 8.190 8.581 -0.391 17717 15593 1 16 . 1 1 103 103 PHE N N 103 124.065 124.065 119.896 4.169 17717 15594 1 16 . 1 1 103 103 PHE HA H 103 4.520 4.520 4.205 0.315 17717 15595 1 16 . 1 1 103 103 PHE CA C 103 57.183 57.183 60.638 -3.455 17717 15596 1 16 . 1 1 103 103 PHE CB C 103 38.608 38.608 37.582 1.026 17717 15597 1 16 . 1 1 103 103 PHE H H 103 8.170 8.170 7.222 0.948 17717 15598 1 16 . 1 1 104 104 GLN N N 104 123.272 123.272 118.631 4.641 17717 15599 1 16 . 1 1 104 104 GLN HA H 104 4.222 4.222 4.082 0.140 17717 15600 1 16 . 1 1 104 104 GLN CA C 104 55.460 55.460 58.819 -3.359 17717 15601 1 16 . 1 1 104 104 GLN CB C 104 29.200 29.200 28.316 0.884 17717 15602 1 16 . 1 1 104 104 GLN H H 104 8.030 8.030 8.689 -0.659 17717 15603 1 16 . 1 1 105 105 LYS N N 105 119.600 119.600 120.689 -1.089 17717 15604 1 16 . 1 1 105 105 LYS HA H 105 4.136 4.136 4.044 0.092 17717 15605 1 16 . 1 1 105 105 LYS CA C 105 57.830 57.830 59.793 -1.963 17717 15606 1 16 . 1 1 105 105 LYS CB C 105 32.220 32.220 32.369 -0.149 17717 15607 1 16 . 1 1 105 105 LYS H H 105 7.800 7.800 8.280 -0.480 17717 15608 1 16 . 1 1 106 106 LYS N N 106 117.960 117.960 120.658 -2.698 17717 15609 1 16 . 1 1 106 106 LYS HA H 106 4.093 4.093 4.058 0.035 17717 15610 1 16 . 1 1 106 106 LYS CA C 106 57.860 57.860 59.353 -1.493 17717 15611 1 16 . 1 1 106 106 LYS CB C 106 32.080 32.080 31.929 0.151 17717 15612 1 16 . 1 1 106 106 LYS H H 106 7.740 7.740 7.920 -0.180 17717 15613 1 16 . 1 1 107 107 TRP N N 107 119.320 119.320 119.204 0.116 17717 15614 1 16 . 1 1 107 107 TRP HA H 107 4.310 4.310 4.611 -0.301 17717 15615 1 16 . 1 1 107 107 TRP CA C 107 54.900 54.900 59.567 -4.667 17717 15616 1 16 . 1 1 107 107 TRP CB C 107 28.400 28.400 29.309 -0.909 17717 15617 1 16 . 1 1 107 107 TRP H H 107 8.390 8.390 7.771 0.619 17717 15618 1 16 . 1 1 108 108 LYS N N 108 120.390 120.390 118.757 1.633 17717 15619 1 16 . 1 1 108 108 LYS HA H 108 4.350 4.350 3.835 0.515 17717 15620 1 16 . 1 1 108 108 LYS CA C 108 58.170 58.170 57.815 0.355 17717 15621 1 16 . 1 1 108 108 LYS CB C 108 30.250 30.250 32.095 -1.845 17717 15622 1 16 . 1 1 108 108 LYS H H 108 7.420 7.420 8.054 -0.634 17717 15623 1 16 . 1 1 109 109 GLU N N 109 120.220 120.220 120.179 0.041 17717 15624 1 16 . 1 1 109 109 GLU HA H 109 3.922 3.922 3.988 -0.066 17717 15625 1 16 . 1 1 109 109 GLU CA C 109 58.230 58.230 59.523 -1.293 17717 15626 1 16 . 1 1 109 109 GLU CB C 109 29.230 29.230 29.946 -0.716 17717 15627 1 16 . 1 1 109 109 GLU H H 109 7.800 7.800 7.591 0.209 17717 15628 1 16 . 1 1 110 110 ASP N N 110 121.678 121.678 119.312 2.366 17717 15629 1 16 . 1 1 110 110 ASP HA H 110 4.096 4.096 4.201 -0.105 17717 15630 1 16 . 1 1 110 110 ASP CA C 110 57.514 57.514 56.997 0.517 17717 15631 1 16 . 1 1 110 110 ASP CB C 110 40.005 40.005 39.892 0.113 17717 15632 1 16 . 1 1 110 110 ASP H H 110 8.220 8.220 8.386 -0.166 17717 15633 1 16 . 1 1 111 111 VAL N N 111 123.537 123.537 118.859 4.678 17717 15634 1 16 . 1 1 111 111 VAL CA C 111 66.380 66.380 66.168 0.212 17717 15635 1 16 . 1 1 111 111 VAL CB C 111 30.800 30.800 30.654 0.146 17717 15636 1 16 . 1 1 111 111 VAL H H 111 9.170 9.170 7.212 1.958 17717 15637 1 16 . 1 1 112 112 GLU N N 112 120.200 120.200 120.623 -0.423 17717 15638 1 16 . 1 1 112 112 GLU HA H 112 4.179 4.179 3.969 0.210 17717 15639 1 16 . 1 1 112 112 GLU CA C 112 58.431 58.431 59.385 -0.954 17717 15640 1 16 . 1 1 112 112 GLU CB C 112 27.878 27.878 29.465 -1.587 17717 15641 1 16 . 1 1 112 112 GLU H H 112 7.540 7.540 7.454 0.086 17717 15642 1 16 . 1 1 113 113 LEU N N 113 120.815 120.815 118.579 2.236 17717 15643 1 16 . 1 1 113 113 LEU HA H 113 4.439 4.439 3.782 0.657 17717 15644 1 16 . 1 1 113 113 LEU CA C 113 53.800 53.800 57.677 -3.877 17717 15645 1 16 . 1 1 113 113 LEU CB C 113 41.060 41.060 40.711 0.349 17717 15646 1 16 . 1 1 113 113 LEU H H 113 7.900 7.900 7.367 0.533 17717 15647 1 16 . 1 1 114 114 TYR N N 114 120.920 120.920 120.225 0.695 17717 15648 1 16 . 1 1 114 114 TYR HA H 114 4.520 4.520 3.895 0.625 17717 15649 1 16 . 1 1 114 114 TYR CA C 114 56.942 56.942 62.013 -5.071 17717 15650 1 16 . 1 1 114 114 TYR CB C 114 37.834 37.834 38.582 -0.748 17717 15651 1 16 . 1 1 114 114 TYR H H 114 8.370 8.370 8.270 0.100 17717 15652 1 16 . 1 1 115 115 ARG N N 115 118.260 118.260 117.498 0.762 17717 15653 1 16 . 1 1 115 115 ARG HA H 115 4.820 4.820 3.799 1.021 17717 15654 1 16 . 1 1 115 115 ARG CA C 115 55.700 55.700 59.552 -3.852 17717 15655 1 16 . 1 1 115 115 ARG CB C 115 30.600 30.600 29.574 1.026 17717 15656 1 16 . 1 1 115 115 ARG H H 115 7.630 7.630 7.893 -0.263 17717 15657 1 16 . 1 1 116 116 GLN N N 116 116.670 116.670 117.005 -0.335 17717 15658 1 16 . 1 1 116 116 GLN HA H 116 4.480 4.480 4.019 0.461 17717 15659 1 16 . 1 1 116 116 GLN CA C 116 57.100 57.100 58.136 -1.036 17717 15660 1 16 . 1 1 116 116 GLN CB C 116 28.060 28.060 28.172 -0.112 17717 15661 1 16 . 1 1 116 116 GLN H H 116 7.980 7.980 7.310 0.670 17717 15662 1 16 . 1 1 117 117 LYS N N 117 119.200 119.200 119.971 -0.771 17717 15663 1 16 . 1 1 117 117 LYS HA H 117 4.211 4.211 3.848 0.363 17717 15664 1 16 . 1 1 117 117 LYS CA C 117 56.700 56.700 58.268 -1.568 17717 15665 1 16 . 1 1 117 117 LYS CB C 117 32.100 32.100 31.232 0.868 17717 15666 1 16 . 1 1 117 117 LYS H H 117 7.780 7.780 7.342 0.438 17717 15667 1 16 . 1 1 118 118 ALA N N 118 122.740 122.740 119.811 2.929 17717 15668 1 16 . 1 1 118 118 ALA HA H 118 4.179 4.179 3.801 0.378 17717 15669 1 16 . 1 1 118 118 ALA CA C 118 52.100 52.100 53.072 -0.972 17717 15670 1 16 . 1 1 118 118 ALA CB C 118 18.100 18.100 18.214 -0.114 17717 15671 1 16 . 1 1 118 118 ALA H H 118 8.100 8.100 7.710 0.390 17717 15672 1 16 . 1 1 119 119 SER N N 119 115.840 115.840 114.646 1.194 17717 15673 1 16 . 1 1 119 119 SER HA H 119 4.210 4.210 4.834 -0.624 17717 15674 1 16 . 1 1 119 119 SER CA C 119 55.900 55.900 54.393 1.507 17717 15675 1 16 . 1 1 119 119 SER CB C 119 62.900 62.900 63.752 -0.852 17717 15676 1 16 . 1 1 119 119 SER H H 119 7.800 7.800 7.356 0.444 17717 15677 1 16 . 1 1 120 120 PRO CA C 120 63.074 63.074 63.142 -0.068 17717 15678 1 16 . 1 1 120 120 PRO CB C 120 31.408 31.408 32.252 -0.844 17717 15679 1 16 . 1 1 121 121 GLN N N 121 120.800 120.800 127.041 -6.241 17717 15680 1 16 . 1 1 121 121 GLN HA H 121 4.350 4.350 3.956 0.394 17717 15681 1 16 . 1 1 121 121 GLN CA C 121 55.800 55.800 59.057 -3.257 17717 15682 1 16 . 1 1 121 121 GLN CB C 121 28.300 28.300 27.627 0.673 17717 15683 1 16 . 1 1 121 121 GLN H H 121 8.450 8.450 8.692 -0.242 17717 15684 1 16 . 1 1 122 122 GLY N N 122 109.991 109.991 107.531 2.460 17717 15685 1 16 . 1 1 122 122 GLY CA C 122 44.500 44.500 46.144 -1.644 17717 15686 1 16 . 1 1 122 122 GLY H H 122 8.380 8.380 8.802 -0.422 17717 15687 1 16 . 1 1 123 123 ALA N N 123 124.866 124.866 125.259 -0.393 17717 15688 1 16 . 1 1 123 123 ALA HA H 123 4.280 4.280 4.442 -0.162 17717 15689 1 16 . 1 1 123 123 ALA CA C 123 52.440 52.440 55.146 -2.706 17717 15690 1 16 . 1 1 123 123 ALA CB C 123 18.530 18.530 18.674 -0.144 17717 15691 1 16 . 1 1 123 123 ALA H H 123 8.200 8.200 8.111 0.089 17717 15692 1 16 . 1 1 124 124 GLU N N 124 120.000 120.000 118.219 1.781 17717 15693 1 16 . 1 1 124 124 GLU HA H 124 4.265 4.265 4.355 -0.090 17717 15694 1 16 . 1 1 124 124 GLU CA C 124 56.533 56.533 58.134 -1.601 17717 15695 1 16 . 1 1 124 124 GLU CB C 124 29.150 29.150 29.333 -0.183 17717 15696 1 16 . 1 1 124 124 GLU H H 124 8.510 8.510 7.836 0.674 17717 15697 1 16 . 1 1 125 125 LEU N N 125 122.740 122.740 123.433 -0.693 17717 15698 1 16 . 1 1 125 125 LEU HA H 125 4.222 4.222 4.080 0.142 17717 15699 1 16 . 1 1 125 125 LEU CA C 125 55.600 55.600 58.201 -2.601 17717 15700 1 16 . 1 1 125 125 LEU CB C 125 41.500 41.500 41.545 -0.045 17717 15701 1 16 . 1 1 125 125 LEU H H 125 8.110 8.110 8.382 -0.272 17717 15702 1 16 . 1 1 126 126 GLN N N 126 120.616 120.616 116.325 4.291 17717 15703 1 16 . 1 1 126 126 GLN HA H 126 4.140 4.140 4.038 0.102 17717 15704 1 16 . 1 1 126 126 GLN CA C 126 56.600 56.600 58.181 -1.581 17717 15705 1 16 . 1 1 126 126 GLN CB C 126 28.200 28.200 28.201 -0.001 17717 15706 1 16 . 1 1 126 126 GLN H H 126 8.190 8.190 8.220 -0.030 17717 15707 1 16 . 1 1 127 127 GLU N N 127 121.221 121.221 119.267 1.954 17717 15708 1 16 . 1 1 127 127 GLU HA H 127 4.480 4.480 4.093 0.387 17717 15709 1 16 . 1 1 127 127 GLU CA C 127 57.800 57.800 59.167 -1.367 17717 15710 1 16 . 1 1 127 127 GLU CB C 127 28.000 28.000 29.936 -1.936 17717 15711 1 16 . 1 1 127 127 GLU H H 127 8.130 8.130 7.659 0.471 17717 15712 1 16 . 1 1 128 128 SER N N 128 117.960 117.960 114.476 3.484 17717 15713 1 16 . 1 1 128 128 SER HA H 128 4.140 4.140 4.277 -0.137 17717 15714 1 16 . 1 1 128 128 SER CA C 128 57.800 57.800 61.478 -3.678 17717 15715 1 16 . 1 1 128 128 SER CB C 128 63.860 63.860 63.457 0.403 17717 15716 1 16 . 1 1 128 128 SER H H 128 8.580 8.580 8.434 0.146 17717 15717 1 16 . 1 1 129 129 ALA N N 129 132.300 132.300 122.528 9.772 17717 15718 1 16 . 1 1 129 129 ALA CA C 129 53.505 53.505 52.913 0.593 17717 15719 1 16 . 1 1 129 129 ALA CB C 129 18.600 18.600 18.547 0.053 17717 15720 1 16 . 1 1 129 129 ALA H H 129 7.980 7.980 7.983 -0.003 17717 15721 1 16 . 1 1 130 130 ARG N N 130 119.553 119.553 118.169 1.384 17717 15722 1 16 . 1 1 130 130 ARG HA H 130 4.274 4.274 4.522 -0.248 17717 15723 1 16 . 1 1 130 130 ARG CA C 130 55.300 55.300 57.627 -2.327 17717 15724 1 16 . 1 1 130 130 ARG CB C 130 31.600 31.600 31.018 0.582 17717 15725 1 16 . 1 1 130 130 ARG H H 130 8.150 8.150 7.737 0.413 17717 15726 1 16 . 1 1 131 131 GLN N N 131 117.960 117.960 118.991 -1.031 17717 15727 1 16 . 1 1 131 131 GLN HA H 131 4.350 4.350 4.312 0.038 17717 15728 1 16 . 1 1 131 131 GLN CA C 131 56.066 56.066 57.727 -1.661 17717 15729 1 16 . 1 1 131 131 GLN CB C 131 29.000 29.000 29.909 -0.909 17717 15730 1 16 . 1 1 131 131 GLN H H 131 7.880 7.880 7.709 0.171 17717 15731 1 16 . 1 1 132 132 LYS N N 132 121.357 121.357 116.155 5.202 17717 15732 1 16 . 1 1 132 132 LYS HA H 132 4.136 4.136 3.919 0.217 17717 15733 1 16 . 1 1 132 132 LYS CA C 132 56.800 56.800 57.550 -0.750 17717 15734 1 16 . 1 1 132 132 LYS CB C 132 31.100 31.100 30.663 0.437 17717 15735 1 16 . 1 1 132 132 LYS H H 132 7.892 7.892 8.417 -0.525 17717 15736 1 16 . 1 1 133 133 LEU N N 133 120.620 120.620 111.680 8.940 17717 15737 1 16 . 1 1 133 133 LEU HA H 133 4.480 4.480 4.477 0.003 17717 15738 1 16 . 1 1 133 133 LEU CA C 133 53.900 53.900 53.784 0.116 17717 15739 1 16 . 1 1 133 133 LEU CB C 133 41.230 41.230 43.090 -1.861 17717 15740 1 16 . 1 1 133 133 LEU H H 133 8.320 8.320 7.487 0.833 17717 15741 1 16 . 1 1 134 134 GLN N N 134 121.147 121.147 120.945 0.202 17717 15742 1 16 . 1 1 134 134 GLN HA H 134 4.222 4.222 4.227 -0.005 17717 15743 1 16 . 1 1 134 134 GLN CA C 134 56.146 56.146 58.217 -2.071 17717 15744 1 16 . 1 1 134 134 GLN CB C 134 31.813 31.813 29.011 2.802 17717 15745 1 16 . 1 1 134 134 GLN H H 134 7.870 7.870 8.616 -0.746 17717 15746 1 16 . 1 1 135 135 GLU N N 135 121.678 121.678 118.090 3.588 17717 15747 1 16 . 1 1 135 135 GLU HA H 135 4.136 4.136 4.507 -0.371 17717 15748 1 16 . 1 1 135 135 GLU CA C 135 55.904 55.904 56.272 -0.368 17717 15749 1 16 . 1 1 135 135 GLU CB C 135 28.953 28.953 30.171 -1.218 17717 15750 1 16 . 1 1 135 135 GLU H H 135 7.892 7.892 8.272 -0.380 17717 15751 1 16 . 1 1 136 136 LEU N N 136 121.357 121.357 122.449 -1.092 17717 15752 1 16 . 1 1 136 136 LEU HA H 136 4.351 4.351 4.450 -0.099 17717 15753 1 16 . 1 1 136 136 LEU CA C 136 54.765 54.765 55.411 -0.646 17717 15754 1 16 . 1 1 136 136 LEU CB C 136 41.823 41.823 42.816 -0.992 17717 15755 1 16 . 1 1 136 136 LEU H H 136 7.962 7.962 8.160 -0.198 17717 15756 1 16 . 1 1 137 137 GLN N N 137 124.866 124.866 117.572 7.294 17717 15757 1 16 . 1 1 137 137 GLN HA H 137 4.222 4.222 4.527 -0.305 17717 15758 1 16 . 1 1 137 137 GLN CA C 137 56.300 56.300 55.188 1.112 17717 15759 1 16 . 1 1 137 137 GLN CB C 137 28.000 28.000 30.492 -2.492 17717 15760 1 16 . 1 1 137 137 GLN H H 137 7.938 7.938 7.993 -0.055 17717 15761 1 16 . 1 1 138 138 GLY N N 138 111.054 111.054 108.811 2.243 17717 15762 1 16 . 1 1 138 138 GLY CA C 138 44.800 44.800 44.977 -0.177 17717 15763 1 16 . 1 1 138 138 GLY H H 138 8.410 8.410 8.576 -0.166 17717 15764 1 16 . 1 1 139 139 ARG N N 139 116.366 116.366 119.079 -2.713 17717 15765 1 16 . 1 1 139 139 ARG HA H 139 4.230 4.230 4.379 -0.149 17717 15766 1 16 . 1 1 139 139 ARG CA C 139 56.300 56.300 55.810 0.490 17717 15767 1 16 . 1 1 139 139 ARG CB C 139 28.700 28.700 30.986 -2.286 17717 15768 1 16 . 1 1 139 139 ARG H H 139 8.080 8.080 8.521 -0.441 17717 15769 1 16 . 1 1 140 140 LEU N N 140 126.460 126.460 118.197 8.263 17717 15770 1 16 . 1 1 140 140 LEU HA H 140 4.220 4.220 3.841 0.379 17717 15771 1 16 . 1 1 140 140 LEU CA C 140 56.500 56.500 56.340 0.160 17717 15772 1 16 . 1 1 140 140 LEU CB C 140 41.496 41.496 41.237 0.259 17717 15773 1 16 . 1 1 140 140 LEU H H 140 7.740 7.740 8.125 -0.385 17717 15774 1 16 . 1 1 141 141 SER N N 141 119.190 119.190 116.007 3.183 17717 15775 1 16 . 1 1 141 141 SER HA H 141 4.390 4.390 4.458 -0.068 17717 15776 1 16 . 1 1 141 141 SER CA C 141 56.384 56.384 57.882 -1.498 17717 15777 1 16 . 1 1 141 141 SER CB C 141 62.996 62.996 62.965 0.030 17717 15778 1 16 . 1 1 141 141 SER H H 141 8.430 8.430 7.974 0.456 17717 15779 1 16 . 1 1 142 142 PRO CA C 142 64.840 64.840 64.668 0.172 17717 15780 1 16 . 1 1 142 142 PRO CB C 142 31.345 31.345 31.569 -0.224 17717 15781 1 16 . 1 1 143 143 VAL N N 143 116.900 116.900 116.809 0.091 17717 15782 1 16 . 1 1 143 143 VAL HA H 143 4.100 4.100 3.904 0.196 17717 15783 1 16 . 1 1 143 143 VAL CA C 143 63.800 63.800 63.468 0.332 17717 15784 1 16 . 1 1 143 143 VAL CB C 143 31.400 31.400 30.240 1.160 17717 15785 1 16 . 1 1 143 143 VAL H H 143 7.780 7.780 7.524 0.256 17717 15786 1 16 . 1 1 144 144 ALA N N 144 125.700 125.700 121.577 4.123 17717 15787 1 16 . 1 1 144 144 ALA HA H 144 4.390 4.390 3.845 0.545 17717 15788 1 16 . 1 1 144 144 ALA CA C 144 54.200 54.200 55.010 -0.810 17717 15789 1 16 . 1 1 144 144 ALA CB C 144 18.361 18.361 18.067 0.294 17717 15790 1 16 . 1 1 144 144 ALA H H 144 7.970 7.970 7.572 0.398 17717 15791 1 16 . 1 1 145 145 GLU N N 145 120.000 120.000 118.646 1.354 17717 15792 1 16 . 1 1 145 145 GLU HA H 145 3.920 3.920 3.994 -0.074 17717 15793 1 16 . 1 1 145 145 GLU CA C 145 59.400 59.400 59.637 -0.237 17717 15794 1 16 . 1 1 145 145 GLU CB C 145 28.400 28.400 28.849 -0.449 17717 15795 1 16 . 1 1 145 145 GLU H H 145 8.600 8.600 7.722 0.878 17717 15796 1 16 . 1 1 146 146 GLU N N 146 119.022 119.022 118.730 0.292 17717 15797 1 16 . 1 1 146 146 GLU HA H 146 4.050 4.050 4.183 -0.133 17717 15798 1 16 . 1 1 146 146 GLU CA C 146 58.422 58.422 58.661 -0.239 17717 15799 1 16 . 1 1 146 146 GLU CB C 146 28.172 28.172 28.604 -0.431 17717 15800 1 16 . 1 1 146 146 GLU H H 146 8.070 8.070 8.145 -0.075 17717 15801 1 16 . 1 1 147 147 PHE N N 147 117.023 117.023 120.199 -3.176 17717 15802 1 16 . 1 1 147 147 PHE HA H 147 4.523 4.523 4.391 0.132 17717 15803 1 16 . 1 1 147 147 PHE CA C 147 58.592 58.592 60.888 -2.296 17717 15804 1 16 . 1 1 147 147 PHE CB C 147 40.344 40.344 38.727 1.617 17717 15805 1 16 . 1 1 147 147 PHE H H 147 8.161 8.161 8.061 0.100 17717 15806 1 16 . 1 1 148 148 ARG N N 148 120.085 120.085 119.695 0.390 17717 15807 1 16 . 1 1 148 148 ARG HA H 148 4.136 4.136 4.065 0.071 17717 15808 1 16 . 1 1 148 148 ARG CA C 148 57.700 57.700 59.293 -1.593 17717 15809 1 16 . 1 1 148 148 ARG CB C 148 30.400 30.400 30.186 0.214 17717 15810 1 16 . 1 1 148 148 ARG H H 148 8.325 8.325 8.460 -0.135 17717 15811 1 16 . 1 1 149 149 ASP N N 149 118.530 118.530 119.655 -1.125 17717 15812 1 16 . 1 1 149 149 ASP HA H 149 4.310 4.310 4.448 -0.138 17717 15813 1 16 . 1 1 149 149 ASP CA C 149 54.600 54.600 57.562 -2.962 17717 15814 1 16 . 1 1 149 149 ASP CB C 149 41.000 41.000 40.996 0.004 17717 15815 1 16 . 1 1 149 149 ASP H H 149 8.270 8.270 8.438 -0.168 17717 15816 1 16 . 1 1 150 150 ARG N N 150 126.460 126.460 119.983 6.477 17717 15817 1 16 . 1 1 150 150 ARG HA H 150 4.180 4.180 4.072 0.108 17717 15818 1 16 . 1 1 150 150 ARG CA C 150 56.850 56.850 58.417 -1.567 17717 15819 1 16 . 1 1 150 150 ARG CB C 150 30.451 30.451 29.444 1.007 17717 15820 1 16 . 1 1 150 150 ARG H H 150 7.860 7.860 8.224 -0.364 17717 15821 1 16 . 1 1 152 152 ARG CA C 152 55.764 55.764 59.844 -4.080 17717 15822 1 16 . 1 1 152 152 ARG CB C 152 30.014 30.014 30.323 -0.309 17717 15823 1 16 . 1 1 153 153 THR N N 153 115.832 115.832 114.081 1.751 17717 15824 1 16 . 1 1 153 153 THR HA H 153 4.350 4.350 4.064 0.286 17717 15825 1 16 . 1 1 153 153 THR CA C 153 61.200 61.200 66.947 -5.747 17717 15826 1 16 . 1 1 153 153 THR CB C 153 69.400 69.400 68.541 0.859 17717 15827 1 16 . 1 1 153 153 THR H H 153 8.170 8.170 8.394 -0.224 17717 15828 1 16 . 1 1 154 154 HIS N N 154 129.120 129.120 122.964 6.156 17717 15829 1 16 . 1 1 154 154 HIS HA H 154 4.650 4.650 4.165 0.485 17717 15830 1 16 . 1 1 154 154 HIS CA C 154 56.800 56.800 59.011 -2.211 17717 15831 1 16 . 1 1 154 154 HIS CB C 154 30.400 30.400 29.280 1.119 17717 15832 1 16 . 1 1 154 154 HIS H H 154 7.950 7.950 7.614 0.336 17717 15833 1 16 . 1 1 155 155 VAL N N 155 120.620 120.620 117.644 2.976 17717 15834 1 16 . 1 1 155 155 VAL HA H 155 4.012 4.012 3.360 0.652 17717 15835 1 16 . 1 1 155 155 VAL CA C 155 62.300 62.300 65.788 -3.488 17717 15836 1 16 . 1 1 155 155 VAL CB C 155 31.600 31.600 30.444 1.156 17717 15837 1 16 . 1 1 155 155 VAL H H 155 7.910 7.910 7.301 0.609 17717 15838 1 16 . 1 1 156 156 ASP N N 156 121.147 121.147 120.796 0.351 17717 15839 1 16 . 1 1 156 156 ASP HA H 156 4.440 4.440 4.321 0.119 17717 15840 1 16 . 1 1 156 156 ASP CA C 156 57.384 57.384 57.508 -0.124 17717 15841 1 16 . 1 1 156 156 ASP CB C 156 40.140 40.140 40.938 -0.798 17717 15842 1 16 . 1 1 156 156 ASP H H 156 8.100 8.100 8.261 -0.161 17717 15843 1 16 . 1 1 157 157 SER N N 157 116.366 116.366 116.931 -0.565 17717 15844 1 16 . 1 1 157 157 SER HA H 157 4.220 4.220 4.108 0.112 17717 15845 1 16 . 1 1 157 157 SER CA C 157 61.500 61.500 61.628 -0.128 17717 15846 1 16 . 1 1 157 157 SER CB C 157 62.500 62.500 63.328 -0.828 17717 15847 1 16 . 1 1 157 157 SER H H 157 8.700 8.700 7.972 0.728 17717 15848 1 16 . 1 1 158 158 LEU N N 158 123.272 123.272 122.312 0.960 17717 15849 1 16 . 1 1 158 158 LEU HA H 158 4.520 4.520 4.265 0.255 17717 15850 1 16 . 1 1 158 158 LEU CA C 158 57.140 57.140 58.339 -1.199 17717 15851 1 16 . 1 1 158 158 LEU CB C 158 40.900 40.900 42.026 -1.126 17717 15852 1 16 . 1 1 158 158 LEU H H 158 7.790 7.790 7.948 -0.158 17717 15853 1 16 . 1 1 159 159 ARG N N 159 119.553 119.553 116.154 3.399 17717 15854 1 16 . 1 1 159 159 ARG HA H 159 4.530 4.530 4.152 0.378 17717 15855 1 16 . 1 1 159 159 ARG CA C 159 56.800 56.800 58.995 -2.195 17717 15856 1 16 . 1 1 159 159 ARG CB C 159 29.000 29.000 30.083 -1.083 17717 15857 1 16 . 1 1 159 159 ARG H H 159 8.650 8.650 7.974 0.676 17717 15858 1 16 . 1 1 160 160 THR N N 160 115.304 115.304 115.033 0.271 17717 15859 1 16 . 1 1 160 160 THR HA H 160 3.880 3.880 4.085 -0.205 17717 15860 1 16 . 1 1 160 160 THR CA C 160 65.300 65.300 66.038 -0.738 17717 15861 1 16 . 1 1 160 160 THR CB C 160 68.900 68.900 68.520 0.380 17717 15862 1 16 . 1 1 160 160 THR H H 160 8.100 8.100 7.479 0.621 17717 15863 1 16 . 1 1 161 161 GLN N N 161 122.440 122.440 118.705 3.735 17717 15864 1 16 . 1 1 161 161 GLN HA H 161 4.220 4.220 4.323 -0.103 17717 15865 1 16 . 1 1 161 161 GLN CA C 161 56.900 56.900 57.968 -1.068 17717 15866 1 16 . 1 1 161 161 GLN CB C 161 26.160 26.160 28.886 -2.726 17717 15867 1 16 . 1 1 161 161 GLN H H 161 8.070 8.070 8.072 -0.002 17717 15868 1 16 . 1 1 162 162 LEU N N 162 115.398 115.398 121.358 -5.960 17717 15869 1 16 . 1 1 162 162 LEU HA H 162 4.220 4.220 4.489 -0.269 17717 15870 1 16 . 1 1 162 162 LEU CA C 162 56.500 56.500 56.025 0.475 17717 15871 1 16 . 1 1 162 162 LEU CB C 162 41.000 41.000 40.713 0.287 17717 15872 1 16 . 1 1 162 162 LEU H H 162 7.980 7.980 7.875 0.105 17717 15873 1 16 . 1 1 163 163 ALA N N 163 122.210 122.210 123.266 -1.056 17717 15874 1 16 . 1 1 163 163 ALA HA H 163 4.260 4.260 4.076 0.184 17717 15875 1 16 . 1 1 163 163 ALA CA C 163 56.560 56.560 57.136 -0.576 17717 15876 1 16 . 1 1 163 163 ALA CB C 163 15.000 15.000 16.052 -1.052 17717 15877 1 16 . 1 1 163 163 ALA H H 163 7.460 7.460 8.306 -0.846 17717 15878 1 16 . 1 1 164 164 PRO CA C 164 62.800 62.800 65.593 -2.793 17717 15879 1 16 . 1 1 164 164 PRO CB C 164 31.500 31.500 31.359 0.141 17717 15880 1 16 . 1 1 165 165 HIS N N 165 120.080 120.080 117.167 2.913 17717 15881 1 16 . 1 1 165 165 HIS HA H 165 4.390 4.390 4.188 0.202 17717 15882 1 16 . 1 1 165 165 HIS CA C 165 56.000 56.000 59.923 -3.923 17717 15883 1 16 . 1 1 165 165 HIS CB C 165 28.400 28.400 29.716 -1.316 17717 15884 1 16 . 1 1 165 165 HIS H H 165 8.060 8.060 7.832 0.228 17717 15885 1 16 . 1 1 166 166 SER N N 166 116.366 116.366 114.896 1.470 17717 15886 1 16 . 1 1 166 166 SER HA H 166 4.300 4.300 4.164 0.136 17717 15887 1 16 . 1 1 166 166 SER CA C 166 61.200 61.200 61.719 -0.519 17717 15888 1 16 . 1 1 166 166 SER CB C 166 63.000 63.000 63.248 -0.248 17717 15889 1 16 . 1 1 166 166 SER H H 166 8.040 8.040 8.414 -0.374 17717 15890 1 16 . 1 1 167 167 GLU N N 167 121.678 121.678 121.352 0.326 17717 15891 1 16 . 1 1 167 167 GLU HA H 167 3.922 3.922 4.021 -0.099 17717 15892 1 16 . 1 1 167 167 GLU CA C 167 62.800 62.800 59.303 3.497 17717 15893 1 16 . 1 1 167 167 GLU CB C 167 31.100 31.100 29.613 1.487 17717 15894 1 16 . 1 1 167 167 GLU H H 167 7.760 7.760 7.744 0.016 17717 15895 1 16 . 1 1 168 168 GLN N N 168 121.147 121.147 119.516 1.631 17717 15896 1 16 . 1 1 168 168 GLN HA H 168 4.320 4.320 4.172 0.148 17717 15897 1 16 . 1 1 168 168 GLN CA C 168 55.300 55.300 58.732 -3.432 17717 15898 1 16 . 1 1 168 168 GLN CB C 168 28.200 28.200 28.939 -0.739 17717 15899 1 16 . 1 1 168 168 GLN H H 168 8.450 8.450 8.543 -0.093 17717 15900 1 16 . 1 1 170 170 ARG CA C 170 58.370 58.370 59.440 -1.070 17717 15901 1 16 . 1 1 170 170 ARG CB C 170 28.900 28.900 30.103 -1.203 17717 15902 1 16 . 1 1 171 171 GLU N N 171 117.960 117.960 119.684 -1.724 17717 15903 1 16 . 1 1 171 171 GLU HA H 171 4.140 4.140 4.207 -0.067 17717 15904 1 16 . 1 1 171 171 GLU CA C 171 57.300 57.300 59.385 -2.084 17717 15905 1 16 . 1 1 171 171 GLU CB C 171 29.200 29.200 29.384 -0.184 17717 15906 1 16 . 1 1 171 171 GLU H H 171 7.730 7.730 7.696 0.034 17717 15907 1 16 . 1 1 172 172 SER N N 172 116.366 116.366 116.697 -0.331 17717 15908 1 16 . 1 1 172 172 SER HA H 172 4.270 4.270 4.201 0.069 17717 15909 1 16 . 1 1 172 172 SER CA C 172 58.000 58.000 62.174 -4.174 17717 15910 1 16 . 1 1 172 172 SER CB C 172 63.000 63.000 62.763 0.237 17717 15911 1 16 . 1 1 172 172 SER H H 172 8.320 8.320 8.715 -0.395 17717 15912 1 16 . 1 1 173 173 LEU N N 173 124.866 124.866 121.745 3.121 17717 15913 1 16 . 1 1 173 173 LEU HA H 173 4.352 4.352 4.069 0.283 17717 15914 1 16 . 1 1 173 173 LEU CA C 173 54.540 54.540 57.809 -3.269 17717 15915 1 16 . 1 1 173 173 LEU CB C 173 41.400 41.400 41.298 0.102 17717 15916 1 16 . 1 1 173 173 LEU H H 173 8.260 8.260 7.686 0.574 17717 15917 1 16 . 1 1 174 174 ALA N N 174 126.460 126.460 121.232 5.228 17717 15918 1 16 . 1 1 174 174 ALA HA H 174 4.270 4.270 3.763 0.507 17717 15919 1 16 . 1 1 174 174 ALA CA C 174 55.400 55.400 54.830 0.570 17717 15920 1 16 . 1 1 174 174 ALA CB C 174 17.200 17.200 18.011 -0.810 17717 15921 1 16 . 1 1 174 174 ALA H H 174 8.210 8.210 7.450 0.760 17717 15922 1 16 . 1 1 175 175 GLN N N 175 117.430 117.430 118.025 -0.595 17717 15923 1 16 . 1 1 175 175 GLN HA H 175 4.060 4.060 4.006 0.054 17717 15924 1 16 . 1 1 175 175 GLN CA C 175 58.600 58.600 58.341 0.259 17717 15925 1 16 . 1 1 175 175 GLN CB C 175 27.400 27.400 28.693 -1.293 17717 15926 1 16 . 1 1 175 175 GLN H H 175 8.450 8.450 7.895 0.555 17717 15927 1 16 . 1 1 176 176 ARG N N 176 119.550 119.550 121.311 -1.761 17717 15928 1 16 . 1 1 176 176 ARG HA H 176 4.180 4.180 3.896 0.284 17717 15929 1 16 . 1 1 176 176 ARG CA C 176 56.900 56.900 59.498 -2.598 17717 15930 1 16 . 1 1 176 176 ARG CB C 176 29.300 29.300 30.076 -0.776 17717 15931 1 16 . 1 1 176 176 ARG H H 176 8.070 8.070 8.047 0.023 17717 15932 1 16 . 1 1 177 177 LEU N N 177 115.840 115.840 116.299 -0.459 17717 15933 1 16 . 1 1 177 177 LEU HA H 177 4.180 4.180 3.930 0.250 17717 15934 1 16 . 1 1 177 177 LEU CA C 177 56.900 56.900 57.956 -1.056 17717 15935 1 16 . 1 1 177 177 LEU CB C 177 40.100 40.100 40.783 -0.683 17717 15936 1 16 . 1 1 177 177 LEU H H 177 8.330 8.330 7.454 0.876 17717 15937 1 16 . 1 1 178 178 ALA N N 178 121.220 121.220 120.765 0.455 17717 15938 1 16 . 1 1 178 178 ALA HA H 178 3.880 3.880 3.969 -0.089 17717 15939 1 16 . 1 1 178 178 ALA CA C 178 54.600 54.600 54.721 -0.121 17717 15940 1 16 . 1 1 178 178 ALA CB C 178 16.900 16.900 17.914 -1.014 17717 15941 1 16 . 1 1 178 178 ALA H H 178 8.570 8.570 7.607 0.963 17717 15942 1 16 . 1 1 179 179 GLU N N 179 118.490 118.490 119.912 -1.422 17717 15943 1 16 . 1 1 179 179 GLU HA H 179 4.180 4.180 4.039 0.141 17717 15944 1 16 . 1 1 179 179 GLU CA C 179 56.600 56.600 59.238 -2.638 17717 15945 1 16 . 1 1 179 179 GLU CB C 179 29.000 29.000 29.429 -0.429 17717 15946 1 16 . 1 1 179 179 GLU H H 179 7.680 7.680 7.821 -0.141 17717 15947 1 16 . 1 1 180 180 LEU N N 180 117.730 117.730 117.257 0.473 17717 15948 1 16 . 1 1 180 180 LEU HA H 180 4.265 4.265 3.982 0.283 17717 15949 1 16 . 1 1 180 180 LEU CA C 180 55.020 55.020 57.518 -2.498 17717 15950 1 16 . 1 1 180 180 LEU CB C 180 41.100 41.100 41.303 -0.204 17717 15951 1 16 . 1 1 180 180 LEU H H 180 7.680 7.680 7.330 0.350 17717 15952 1 16 . 1 1 181 181 LYS N N 181 117.400 117.400 118.110 -0.710 17717 15953 1 16 . 1 1 181 181 LYS HA H 181 4.480 4.480 3.910 0.570 17717 15954 1 16 . 1 1 181 181 LYS CA C 181 61.900 61.900 58.406 3.494 17717 15955 1 16 . 1 1 181 181 LYS CB C 181 31.800 31.800 32.371 -0.571 17717 15956 1 16 . 1 1 181 181 LYS H H 181 7.510 7.510 7.611 -0.101 17717 15957 1 16 . 1 1 182 182 SER N N 182 114.010 114.010 114.235 -0.225 17717 15958 1 16 . 1 1 182 182 SER HA H 182 4.350 4.350 4.308 0.042 17717 15959 1 16 . 1 1 182 182 SER CA C 182 58.000 58.000 59.619 -1.619 17717 15960 1 16 . 1 1 182 182 SER CB C 182 63.300 63.300 64.211 -0.911 17717 15961 1 16 . 1 1 182 182 SER H H 182 7.920 7.920 8.076 -0.156 17717 15962 1 16 . 1 1 183 183 ASN N N 183 123.040 123.040 115.668 7.372 17717 15963 1 16 . 1 1 183 183 ASN HA H 183 4.310 4.310 4.827 -0.517 17717 15964 1 16 . 1 1 183 183 ASN CA C 183 55.115 55.115 52.635 2.480 17717 15965 1 16 . 1 1 183 183 ASN CB C 183 37.838 37.838 40.034 -2.196 17717 15966 1 16 . 1 1 183 183 ASN H H 183 8.250 8.250 7.624 0.626 17717 15967 1 16 . 1 1 184 184 PRO CA C 184 63.180 63.180 63.022 0.158 17717 15968 1 16 . 1 1 184 184 PRO CB C 184 31.400 31.400 31.464 -0.064 17717 15969 1 16 . 1 1 185 185 THR N N 185 114.240 114.240 120.236 -5.996 17717 15970 1 16 . 1 1 185 185 THR HA H 185 4.270 4.270 4.056 0.214 17717 15971 1 16 . 1 1 185 185 THR CA C 185 61.200 61.200 65.541 -4.341 17717 15972 1 16 . 1 1 185 185 THR CB C 185 69.100 69.100 69.300 -0.200 17717 15973 1 16 . 1 1 185 185 THR H H 185 8.150 8.150 8.382 -0.232 17717 15974 1 16 . 1 1 186 186 LEU N N 186 123.270 123.270 118.191 5.079 17717 15975 1 16 . 1 1 186 186 LEU HA H 186 4.350 4.350 4.403 -0.053 17717 15976 1 16 . 1 1 186 186 LEU CA C 186 55.000 55.000 55.619 -0.619 17717 15977 1 16 . 1 1 186 186 LEU CB C 186 41.000 41.000 43.411 -2.411 17717 15978 1 16 . 1 1 186 186 LEU H H 186 8.430 8.430 7.705 0.725 17717 15979 1 16 . 1 1 187 187 ASN N N 187 119.020 119.020 122.040 -3.020 17717 15980 1 16 . 1 1 187 187 ASN HA H 187 4.530 4.530 4.954 -0.424 17717 15981 1 16 . 1 1 187 187 ASN CA C 187 53.400 53.400 51.880 1.520 17717 15982 1 16 . 1 1 187 187 ASN CB C 187 37.900 37.900 37.777 0.123 17717 15983 1 16 . 1 1 187 187 ASN H H 187 8.370 8.370 8.774 -0.404 17717 15984 1 16 . 1 1 188 188 GLU N N 188 123.270 123.270 118.912 4.358 17717 15985 1 16 . 1 1 188 188 GLU HA H 188 4.000 4.000 4.053 -0.053 17717 15986 1 16 . 1 1 188 188 GLU CA C 188 61.700 61.700 58.014 3.686 17717 15987 1 16 . 1 1 188 188 GLU CB C 188 32.100 32.100 29.409 2.691 17717 15988 1 16 . 1 1 188 188 GLU H H 188 7.870 7.870 8.046 -0.176 17717 15989 1 16 . 1 1 189 189 TYR N N 189 122.210 122.210 119.978 2.232 17717 15990 1 16 . 1 1 189 189 TYR HA H 189 4.440 4.440 4.603 -0.163 17717 15991 1 16 . 1 1 189 189 TYR CA C 189 57.120 57.120 56.568 0.552 17717 15992 1 16 . 1 1 189 189 TYR CB C 189 40.000 40.000 38.375 1.625 17717 15993 1 16 . 1 1 189 189 TYR H H 189 8.590 8.590 7.728 0.862 17717 15994 1 16 . 1 1 190 190 HIS N N 190 124.866 124.866 128.898 -4.032 17717 15995 1 16 . 1 1 190 190 HIS HA H 190 4.780 4.780 4.589 0.191 17717 15996 1 16 . 1 1 190 190 HIS CA C 190 56.000 56.000 55.108 0.892 17717 15997 1 16 . 1 1 190 190 HIS CB C 190 29.400 29.400 28.618 0.782 17717 15998 1 16 . 1 1 190 190 HIS H H 190 8.420 8.420 9.159 -0.739 17717 15999 1 16 . 1 1 191 191 SER N N 191 117.429 117.429 117.895 -0.466 17717 16000 1 16 . 1 1 191 191 SER HA H 191 4.140 4.140 4.248 -0.108 17717 16001 1 16 . 1 1 191 191 SER CA C 191 58.140 58.140 59.968 -1.828 17717 16002 1 16 . 1 1 191 191 SER CB C 191 63.140 63.140 63.227 -0.087 17717 16003 1 16 . 1 1 191 191 SER H H 191 8.270 8.270 8.117 0.153 17717 16004 1 16 . 1 1 192 192 SER N N 192 124.335 124.335 122.207 2.128 17717 16005 1 16 . 1 1 192 192 SER HA H 192 4.730 4.730 4.507 0.223 17717 16006 1 16 . 1 1 192 192 SER CA C 192 59.020 59.020 58.289 0.731 17717 16007 1 16 . 1 1 192 192 SER CB C 192 63.000 63.000 62.963 0.037 17717 16008 1 16 . 1 1 192 192 SER H H 192 8.010 8.010 8.244 -0.234 17717 16009 1 16 . 1 1 193 193 ALA N N 193 125.930 125.930 121.769 4.161 17717 16010 1 16 . 1 1 193 193 ALA HA H 193 4.310 4.310 3.972 0.338 17717 16011 1 16 . 1 1 193 193 ALA CA C 193 52.300 52.300 53.428 -1.128 17717 16012 1 16 . 1 1 193 193 ALA CB C 193 18.000 18.000 17.612 0.388 17717 16013 1 16 . 1 1 193 193 ALA H H 193 8.100 8.100 8.632 -0.532 17717 16014 1 16 . 1 1 194 194 LYS N N 194 126.460 126.460 118.317 8.143 17717 16015 1 16 . 1 1 194 194 LYS HA H 194 4.220 4.220 4.383 -0.164 17717 16016 1 16 . 1 1 194 194 LYS CA C 194 56.600 56.600 56.169 0.431 17717 16017 1 16 . 1 1 194 194 LYS CB C 194 33.000 33.000 33.486 -0.486 17717 16018 1 16 . 1 1 194 194 LYS H H 194 7.860 7.860 8.274 -0.414 17717 16019 1 16 . 1 1 195 195 SER N N 195 117.429 117.429 115.408 2.021 17717 16020 1 16 . 1 1 195 195 SER HA H 195 4.430 4.430 4.736 -0.306 17717 16021 1 16 . 1 1 195 195 SER CA C 195 58.499 58.499 57.194 1.305 17717 16022 1 16 . 1 1 195 195 SER CB C 195 63.129 63.129 62.835 0.294 17717 16023 1 16 . 1 1 195 195 SER H H 195 8.240 8.240 8.443 -0.203 17717 16024 1 16 . 1 1 196 196 HIS N N 196 122.440 122.440 118.967 3.473 17717 16025 1 16 . 1 1 196 196 HIS HA H 196 4.222 4.222 4.449 -0.227 17717 16026 1 16 . 1 1 196 196 HIS CA C 196 55.743 55.743 57.000 -1.257 17717 16027 1 16 . 1 1 196 196 HIS CB C 196 28.566 28.566 29.671 -1.105 17717 16028 1 16 . 1 1 196 196 HIS H H 196 8.044 8.044 8.126 -0.082 17717 16029 1 16 . 1 1 197 197 LEU N N 197 117.429 117.429 120.482 -3.053 17717 16030 1 16 . 1 1 197 197 LEU HA H 197 4.179 4.179 3.949 0.230 17717 16031 1 16 . 1 1 197 197 LEU CA C 197 54.540 54.540 58.370 -3.830 17717 16032 1 16 . 1 1 197 197 LEU CB C 197 40.040 40.040 41.806 -1.766 17717 16033 1 16 . 1 1 197 197 LEU H H 197 8.044 8.044 7.569 0.475 17717 16034 1 16 . 1 1 198 198 LYS N N 198 117.430 117.430 116.223 1.207 17717 16035 1 16 . 1 1 198 198 LYS HA H 198 4.140 4.140 3.834 0.306 17717 16036 1 16 . 1 1 198 198 LYS CA C 198 57.600 57.600 59.192 -1.592 17717 16037 1 16 . 1 1 198 198 LYS CB C 198 32.000 32.000 31.335 0.665 17717 16038 1 16 . 1 1 198 198 LYS H H 198 7.510 7.510 8.012 -0.502 17717 16039 1 16 . 1 1 199 199 SER N N 199 114.315 114.315 115.378 -1.063 17717 16040 1 16 . 1 1 199 199 SER HA H 199 4.310 4.310 3.222 1.088 17717 16041 1 16 . 1 1 199 199 SER CA C 199 62.000 62.000 60.468 1.532 17717 16042 1 16 . 1 1 199 199 SER CB C 199 63.600 63.600 62.117 1.483 17717 16043 1 16 . 1 1 199 199 SER H H 199 7.930 7.930 7.404 0.526 17717 16044 1 16 . 1 1 200 200 LEU N N 200 124.335 124.335 121.046 3.289 17717 16045 1 16 . 1 1 200 200 LEU HA H 200 4.260 4.260 4.280 -0.020 17717 16046 1 16 . 1 1 200 200 LEU CA C 200 55.200 55.200 57.538 -2.338 17717 16047 1 16 . 1 1 200 200 LEU CB C 200 41.200 41.200 41.631 -0.431 17717 16048 1 16 . 1 1 200 200 LEU H H 200 8.170 8.170 7.570 0.600 17717 16049 1 16 . 1 1 201 201 GLY N N 201 109.990 109.990 106.502 3.488 17717 16050 1 16 . 1 1 201 201 GLY CA C 201 44.700 44.700 46.909 -2.209 17717 16051 1 16 . 1 1 201 201 GLY H H 201 8.290 8.290 7.583 0.707 17717 16052 1 16 . 1 1 202 202 GLU N N 202 126.460 126.460 119.560 6.900 17717 16053 1 16 . 1 1 202 202 GLU HA H 202 4.220 4.220 4.288 -0.068 17717 16054 1 16 . 1 1 202 202 GLU CA C 202 56.600 56.600 58.185 -1.585 17717 16055 1 16 . 1 1 202 202 GLU CB C 202 32.800 32.800 29.910 2.890 17717 16056 1 16 . 1 1 202 202 GLU H H 202 7.750 7.750 8.076 -0.326 17717 16057 1 16 . 1 1 203 203 LYS CA C 203 55.775 55.775 54.943 0.832 17717 16058 1 16 . 1 1 203 203 LYS CB C 203 32.283 32.283 33.172 -0.888 17717 16059 1 16 . 1 1 204 204 ALA N N 204 125.390 125.390 121.397 3.993 17717 16060 1 16 . 1 1 204 204 ALA HA H 204 4.310 4.310 4.611 -0.301 17717 16061 1 16 . 1 1 204 204 ALA CA C 204 52.000 52.000 50.726 1.274 17717 16062 1 16 . 1 1 204 204 ALA CB C 204 18.400 18.400 20.920 -2.520 17717 16063 1 16 . 1 1 204 204 ALA H H 204 8.180 8.180 7.231 0.949 17717 16064 1 16 . 1 1 205 205 ARG N N 205 121.150 121.150 118.765 2.385 17717 16065 1 16 . 1 1 205 205 ARG HA H 205 4.270 4.270 4.343 -0.073 17717 16066 1 16 . 1 1 205 205 ARG CA C 205 56.384 56.384 55.095 1.289 17717 16067 1 16 . 1 1 205 205 ARG CB C 205 29.193 29.193 29.836 -0.643 17717 16068 1 16 . 1 1 205 205 ARG H H 205 8.350 8.350 8.607 -0.257 17717 16069 1 16 . 1 1 206 206 PRO CA C 206 62.600 62.600 63.870 -1.270 17717 16070 1 16 . 1 1 206 206 PRO CB C 206 31.400 31.400 30.112 1.288 17717 16071 1 16 . 1 1 207 207 ALA N N 207 125.400 125.400 124.303 1.097 17717 16072 1 16 . 1 1 207 207 ALA HA H 207 4.308 4.308 4.378 -0.070 17717 16073 1 16 . 1 1 207 207 ALA CA C 207 51.700 51.700 53.503 -1.803 17717 16074 1 16 . 1 1 207 207 ALA CB C 207 18.200 18.200 19.651 -1.451 17717 16075 1 16 . 1 1 207 207 ALA H H 207 8.400 8.400 8.413 -0.013 17717 16076 1 16 . 1 1 208 208 LEU N N 208 121.680 121.680 121.297 0.383 17717 16077 1 16 . 1 1 208 208 LEU HA H 208 4.480 4.480 4.313 0.167 17717 16078 1 16 . 1 1 208 208 LEU CA C 208 55.100 55.100 56.482 -1.382 17717 16079 1 16 . 1 1 208 208 LEU CB C 208 41.200 41.200 42.776 -1.576 17717 16080 1 16 . 1 1 208 208 LEU H H 208 8.180 8.180 7.828 0.352 17717 16081 1 16 . 1 1 209 209 GLU N N 209 121.147 121.147 120.225 0.922 17717 16082 1 16 . 1 1 209 209 GLU HA H 209 4.180 4.180 3.939 0.241 17717 16083 1 16 . 1 1 209 209 GLU CA C 209 56.477 56.477 59.453 -2.977 17717 16084 1 16 . 1 1 209 209 GLU CB C 209 29.250 29.250 28.547 0.703 17717 16085 1 16 . 1 1 209 209 GLU H H 209 8.380 8.380 8.527 -0.147 17717 16086 1 16 . 1 1 210 210 ASP N N 210 121.147 121.147 119.290 1.857 17717 16087 1 16 . 1 1 210 210 ASP HA H 210 4.260 4.260 4.512 -0.252 17717 16088 1 16 . 1 1 210 210 ASP CA C 210 55.000 55.000 56.715 -1.715 17717 16089 1 16 . 1 1 210 210 ASP CB C 210 37.200 37.200 40.648 -3.448 17717 16090 1 16 . 1 1 210 210 ASP H H 210 8.280 8.280 8.027 0.253 17717 16091 1 16 . 1 1 211 211 LEU N N 211 122.210 122.210 119.119 3.091 17717 16092 1 16 . 1 1 211 211 LEU HA H 211 4.220 4.220 4.206 0.014 17717 16093 1 16 . 1 1 211 211 LEU CA C 211 57.400 57.400 56.592 0.808 17717 16094 1 16 . 1 1 211 211 LEU CB C 211 39.430 39.430 41.696 -2.266 17717 16095 1 16 . 1 1 211 211 LEU H H 211 8.640 8.640 7.490 1.150 17717 16096 1 16 . 1 1 212 212 ARG N N 212 119.550 119.550 118.536 1.014 17717 16097 1 16 . 1 1 212 212 ARG HA H 212 4.220 4.220 3.885 0.335 17717 16098 1 16 . 1 1 212 212 ARG CA C 212 57.400 57.400 58.710 -1.310 17717 16099 1 16 . 1 1 212 212 ARG CB C 212 29.600 29.600 30.371 -0.771 17717 16100 1 16 . 1 1 212 212 ARG H H 212 7.910 7.910 7.763 0.147 17717 16101 1 16 . 1 1 213 213 HIS CA C 213 56.200 56.200 58.042 -1.842 17717 16102 1 16 . 1 1 213 213 HIS CB C 213 31.900 31.900 30.505 1.395 17717 16103 1 16 . 1 1 214 214 SER N N 214 116.366 116.366 116.558 -0.192 17717 16104 1 16 . 1 1 214 214 SER HA H 214 4.265 4.265 4.423 -0.158 17717 16105 1 16 . 1 1 214 214 SER CA C 214 61.100 61.100 58.883 2.217 17717 16106 1 16 . 1 1 214 214 SER CB C 214 63.100 63.100 62.853 0.246 17717 16107 1 16 . 1 1 214 214 SER H H 214 8.140 8.140 7.685 0.455 17717 16108 1 16 . 1 1 215 215 LEU N N 215 130.565 130.565 127.289 3.276 17717 16109 1 16 . 1 1 215 215 LEU HA H 215 4.730 4.730 4.672 0.058 17717 16110 1 16 . 1 1 215 215 LEU CA C 215 54.900 54.900 53.869 1.031 17717 16111 1 16 . 1 1 215 215 LEU CB C 215 42.000 42.000 44.757 -2.757 17717 16112 1 16 . 1 1 215 215 LEU H H 215 7.890 7.890 8.025 -0.135 17717 16113 1 17 . 1 1 2 2 GLU N N 2 121.678 121.678 122.361 -0.683 17717 16114 1 17 . 1 1 2 2 GLU HA H 2 4.488 4.488 4.430 0.058 17717 16115 1 17 . 1 1 2 2 GLU CA C 2 56.418 56.418 55.412 1.006 17717 16116 1 17 . 1 1 2 2 GLU CB C 2 29.014 29.014 30.155 -1.141 17717 16117 1 17 . 1 1 2 2 GLU H H 2 8.276 8.276 8.245 0.031 17717 16118 1 17 . 1 1 3 3 PRO CA C 3 62.923 62.923 63.085 -0.162 17717 16119 1 17 . 1 1 3 3 PRO CB C 3 31.547 31.547 32.411 -0.864 17717 16120 1 17 . 1 1 4 4 GLN N N 4 121.147 121.147 117.141 4.006 17717 16121 1 17 . 1 1 4 4 GLN HA H 4 4.349 4.349 4.177 0.172 17717 16122 1 17 . 1 1 4 4 GLN CA C 4 55.450 55.450 56.828 -1.378 17717 16123 1 17 . 1 1 4 4 GLN CB C 4 28.854 28.854 28.636 0.218 17717 16124 1 17 . 1 1 4 4 GLN H H 4 8.500 8.500 8.517 -0.017 17717 16125 1 17 . 1 1 5 5 SER N N 5 117.429 117.429 111.843 5.586 17717 16126 1 17 . 1 1 5 5 SER HA H 5 4.329 4.329 3.685 0.644 17717 16127 1 17 . 1 1 5 5 SER CA C 5 58.100 58.100 57.666 0.434 17717 16128 1 17 . 1 1 5 5 SER CB C 5 63.485 63.485 64.165 -0.680 17717 16129 1 17 . 1 1 5 5 SER H H 5 8.370 8.370 8.454 -0.084 17717 16130 1 17 . 1 1 6 6 GLN N N 6 123.803 123.803 122.450 1.353 17717 16131 1 17 . 1 1 6 6 GLN CA C 6 56.330 56.330 59.560 -3.230 17717 16132 1 17 . 1 1 6 6 GLN CB C 6 28.800 28.800 29.209 -0.409 17717 16133 1 17 . 1 1 6 6 GLN H H 6 8.620 8.620 8.416 0.204 17717 16134 1 17 . 1 1 7 7 TRP N N 7 119.022 119.022 118.531 0.491 17717 16135 1 17 . 1 1 7 7 TRP HA H 7 4.394 4.394 4.432 -0.038 17717 16136 1 17 . 1 1 7 7 TRP CA C 7 59.800 59.800 59.958 -0.158 17717 16137 1 17 . 1 1 7 7 TRP CB C 7 27.800 27.800 28.055 -0.256 17717 16138 1 17 . 1 1 7 7 TRP H H 7 7.970 7.970 8.589 -0.619 17717 16139 1 17 . 1 1 8 8 ASP N N 8 121.678 121.678 120.426 1.252 17717 16140 1 17 . 1 1 8 8 ASP HA H 8 4.409 4.409 4.145 0.264 17717 16141 1 17 . 1 1 8 8 ASP CA C 8 56.912 56.912 57.611 -0.699 17717 16142 1 17 . 1 1 8 8 ASP CB C 8 38.400 38.400 39.567 -1.167 17717 16143 1 17 . 1 1 8 8 ASP H H 8 8.440 8.440 7.577 0.863 17717 16144 1 17 . 1 1 9 9 LYS N N 9 120.616 120.616 120.798 -0.182 17717 16145 1 17 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.071 0.019 17717 16146 1 17 . 1 1 9 9 LYS CA C 9 58.277 58.277 58.954 -0.677 17717 16147 1 17 . 1 1 9 9 LYS CB C 9 31.550 31.550 32.027 -0.477 17717 16148 1 17 . 1 1 9 9 LYS H H 9 7.830 7.830 7.302 0.528 17717 16149 1 17 . 1 1 10 10 VAL N N 10 118.491 118.491 116.445 2.046 17717 16150 1 17 . 1 1 10 10 VAL HA H 10 3.830 3.830 4.256 -0.426 17717 16151 1 17 . 1 1 10 10 VAL CA C 10 65.630 65.630 66.590 -0.960 17717 16152 1 17 . 1 1 10 10 VAL CB C 10 31.300 31.300 31.360 -0.060 17717 16153 1 17 . 1 1 10 10 VAL H H 10 7.160 7.160 8.029 -0.869 17717 16154 1 17 . 1 1 11 11 LYS N N 11 122.210 122.210 119.206 3.004 17717 16155 1 17 . 1 1 11 11 LYS HA H 11 3.880 3.880 3.910 -0.030 17717 16156 1 17 . 1 1 11 11 LYS CA C 11 59.460 59.460 59.333 0.127 17717 16157 1 17 . 1 1 11 11 LYS CB C 11 31.200 31.200 32.010 -0.810 17717 16158 1 17 . 1 1 11 11 LYS H H 11 8.660 8.660 7.935 0.725 17717 16159 1 17 . 1 1 12 12 ASP N N 12 119.553 119.553 120.276 -0.723 17717 16160 1 17 . 1 1 12 12 ASP HA H 12 4.140 4.140 4.472 -0.332 17717 16161 1 17 . 1 1 12 12 ASP CA C 12 57.381 57.381 57.786 -0.405 17717 16162 1 17 . 1 1 12 12 ASP CB C 12 39.800 39.800 40.986 -1.186 17717 16163 1 17 . 1 1 12 12 ASP H H 12 7.790 7.790 7.697 0.093 17717 16164 1 17 . 1 1 13 13 PHE N N 13 116.500 116.500 118.828 -2.328 17717 16165 1 17 . 1 1 13 13 PHE HA H 13 4.690 4.690 4.280 0.410 17717 16166 1 17 . 1 1 13 13 PHE CA C 13 58.662 58.662 60.384 -1.722 17717 16167 1 17 . 1 1 13 13 PHE CB C 13 38.700 38.700 38.025 0.675 17717 16168 1 17 . 1 1 13 13 PHE H H 13 7.680 7.680 7.871 -0.191 17717 16169 1 17 . 1 1 14 14 ALA N N 14 122.209 122.209 122.551 -0.342 17717 16170 1 17 . 1 1 14 14 ALA HA H 14 4.008 4.008 3.701 0.307 17717 16171 1 17 . 1 1 14 14 ALA CA C 14 54.550 54.550 54.695 -0.145 17717 16172 1 17 . 1 1 14 14 ALA CB C 14 17.250 17.250 18.081 -0.831 17717 16173 1 17 . 1 1 14 14 ALA H H 14 8.760 8.760 7.137 1.623 17717 16174 1 17 . 1 1 15 15 ASN N N 15 119.553 119.553 115.044 4.509 17717 16175 1 17 . 1 1 15 15 ASN HA H 15 4.520 4.520 4.384 0.136 17717 16176 1 17 . 1 1 15 15 ASN CA C 15 56.084 56.084 55.297 0.787 17717 16177 1 17 . 1 1 15 15 ASN CB C 15 38.544 38.544 38.502 0.042 17717 16178 1 17 . 1 1 15 15 ASN H H 15 8.930 8.930 7.705 1.225 17717 16179 1 17 . 1 1 16 16 VAL N N 16 116.897 116.897 121.948 -5.051 17717 16180 1 17 . 1 1 16 16 VAL HA H 16 3.590 3.590 3.759 -0.169 17717 16181 1 17 . 1 1 16 16 VAL CA C 16 64.600 64.600 67.778 -3.178 17717 16182 1 17 . 1 1 16 16 VAL CB C 16 31.800 31.800 31.698 0.102 17717 16183 1 17 . 1 1 16 16 VAL H H 16 7.870 7.870 7.551 0.319 17717 16184 1 17 . 1 1 17 17 TYR N N 17 112.116 112.116 117.854 -5.738 17717 16185 1 17 . 1 1 17 17 TYR HA H 17 4.751 4.751 4.366 0.385 17717 16186 1 17 . 1 1 17 17 TYR CA C 17 59.040 59.040 60.886 -1.846 17717 16187 1 17 . 1 1 17 17 TYR CB C 17 39.060 39.060 37.262 1.798 17717 16188 1 17 . 1 1 17 17 TYR H H 17 8.000 8.000 8.106 -0.106 17717 16189 1 17 . 1 1 18 18 VAL N N 18 114.241 114.241 120.834 -6.593 17717 16190 1 17 . 1 1 18 18 VAL HA H 18 4.220 4.220 3.404 0.816 17717 16191 1 17 . 1 1 18 18 VAL CA C 18 63.520 63.520 66.587 -3.067 17717 16192 1 17 . 1 1 18 18 VAL CB C 18 31.128 31.128 31.341 -0.213 17717 16193 1 17 . 1 1 18 18 VAL H H 18 7.600 7.600 6.848 0.752 17717 16194 1 17 . 1 1 19 19 ASP N N 19 123.272 123.272 120.009 3.263 17717 16195 1 17 . 1 1 19 19 ASP HA H 19 4.523 4.523 4.369 0.154 17717 16196 1 17 . 1 1 19 19 ASP CA C 19 56.445 56.445 57.693 -1.248 17717 16197 1 17 . 1 1 19 19 ASP CB C 19 38.700 38.700 40.907 -2.207 17717 16198 1 17 . 1 1 19 19 ASP H H 19 8.890 8.890 8.203 0.687 17717 16199 1 17 . 1 1 20 20 ALA N N 20 118.491 118.491 122.728 -4.237 17717 16200 1 17 . 1 1 20 20 ALA HA H 20 4.230 4.230 4.311 -0.081 17717 16201 1 17 . 1 1 20 20 ALA CA C 20 54.100 54.100 55.232 -1.132 17717 16202 1 17 . 1 1 20 20 ALA CB C 20 18.760 18.760 19.070 -0.310 17717 16203 1 17 . 1 1 20 20 ALA H H 20 6.630 6.630 7.423 -0.793 17717 16204 1 17 . 1 1 21 21 VAL N N 21 116.897 116.897 116.904 -0.007 17717 16205 1 17 . 1 1 21 21 VAL HA H 21 3.664 3.664 3.401 0.263 17717 16206 1 17 . 1 1 21 21 VAL CA C 21 66.200 66.200 65.503 0.697 17717 16207 1 17 . 1 1 21 21 VAL CB C 21 30.460 30.460 31.343 -0.883 17717 16208 1 17 . 1 1 21 21 VAL H H 21 7.410 7.410 7.755 -0.345 17717 16209 1 17 . 1 1 22 22 LYS N N 22 121.147 121.147 120.027 1.120 17717 16210 1 17 . 1 1 22 22 LYS HA H 22 4.222 4.222 4.004 0.218 17717 16211 1 17 . 1 1 22 22 LYS CA C 22 59.300 59.300 59.234 0.066 17717 16212 1 17 . 1 1 22 22 LYS CB C 22 31.100 31.100 31.945 -0.845 17717 16213 1 17 . 1 1 22 22 LYS H H 22 8.180 8.180 8.228 -0.048 17717 16214 1 17 . 1 1 23 23 ASP N N 23 121.278 121.278 118.622 2.656 17717 16215 1 17 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.515 0.051 17717 16216 1 17 . 1 1 23 23 ASP CA C 23 56.300 56.300 56.983 -0.683 17717 16217 1 17 . 1 1 23 23 ASP CB C 23 38.800 38.800 40.547 -1.747 17717 16218 1 17 . 1 1 23 23 ASP H H 23 8.860 8.860 7.623 1.237 17717 16219 1 17 . 1 1 24 24 SER N N 24 118.491 118.491 115.179 3.312 17717 16220 1 17 . 1 1 24 24 SER HA H 24 4.132 4.132 3.893 0.239 17717 16221 1 17 . 1 1 24 24 SER CA C 24 61.600 61.600 60.855 0.745 17717 16222 1 17 . 1 1 24 24 SER CB C 24 62.442 62.442 62.075 0.367 17717 16223 1 17 . 1 1 24 24 SER H H 24 7.950 7.950 8.012 -0.062 17717 16224 1 17 . 1 1 25 25 GLY N N 25 108.377 108.377 110.823 -2.446 17717 16225 1 17 . 1 1 25 25 GLY CA C 25 44.400 44.400 46.656 -2.256 17717 16226 1 17 . 1 1 25 25 GLY H H 25 7.560 7.560 7.655 -0.095 17717 16227 1 17 . 1 1 26 26 ARG N N 26 124.240 124.240 121.634 2.606 17717 16228 1 17 . 1 1 26 26 ARG HA H 26 4.303 4.303 4.146 0.157 17717 16229 1 17 . 1 1 26 26 ARG CA C 26 54.000 54.000 58.540 -4.540 17717 16230 1 17 . 1 1 26 26 ARG CB C 26 28.240 28.240 29.862 -1.622 17717 16231 1 17 . 1 1 26 26 ARG H H 26 8.200 8.200 7.730 0.470 17717 16232 1 17 . 1 1 27 27 ASP N N 27 121.678 121.678 118.718 2.960 17717 16233 1 17 . 1 1 27 27 ASP HA H 27 4.211 4.211 4.550 -0.339 17717 16234 1 17 . 1 1 27 27 ASP CA C 27 58.380 58.380 57.138 1.242 17717 16235 1 17 . 1 1 27 27 ASP CB C 27 40.400 40.400 41.659 -1.259 17717 16236 1 17 . 1 1 27 27 ASP H H 27 7.880 7.880 7.697 0.183 17717 16237 1 17 . 1 1 28 28 TYR N N 28 121.440 121.440 122.036 -0.596 17717 16238 1 17 . 1 1 28 28 TYR HA H 28 4.480 4.480 4.602 -0.122 17717 16239 1 17 . 1 1 28 28 TYR CA C 28 57.800 57.800 60.265 -2.465 17717 16240 1 17 . 1 1 28 28 TYR CB C 28 38.322 38.322 38.634 -0.312 17717 16241 1 17 . 1 1 28 28 TYR H H 28 8.020 8.020 8.291 -0.271 17717 16242 1 17 . 1 1 29 29 VAL N N 29 123.272 123.272 118.335 4.937 17717 16243 1 17 . 1 1 29 29 VAL HA H 29 4.040 4.040 3.525 0.515 17717 16244 1 17 . 1 1 29 29 VAL CA C 29 66.400 66.400 64.767 1.633 17717 16245 1 17 . 1 1 29 29 VAL CB C 29 30.500 30.500 31.014 -0.514 17717 16246 1 17 . 1 1 29 29 VAL H H 29 8.280 8.280 8.170 0.110 17717 16247 1 17 . 1 1 30 30 SER N N 30 117.429 117.429 116.359 1.070 17717 16248 1 17 . 1 1 30 30 SER HA H 30 4.000 4.000 4.044 -0.044 17717 16249 1 17 . 1 1 30 30 SER CA C 30 61.070 61.070 61.582 -0.512 17717 16250 1 17 . 1 1 30 30 SER CB C 30 62.000 62.000 62.863 -0.863 17717 16251 1 17 . 1 1 30 30 SER H H 30 8.930 8.930 7.544 1.386 17717 16252 1 17 . 1 1 31 31 GLN N N 31 121.147 121.147 121.432 -0.285 17717 16253 1 17 . 1 1 31 31 GLN HA H 31 4.136 4.136 4.060 0.076 17717 16254 1 17 . 1 1 31 31 GLN CA C 31 58.210 58.210 58.484 -0.274 17717 16255 1 17 . 1 1 31 31 GLN CB C 31 27.600 27.600 28.376 -0.776 17717 16256 1 17 . 1 1 31 31 GLN H H 31 7.740 7.740 7.521 0.219 17717 16257 1 17 . 1 1 32 32 PHE N N 32 117.429 117.429 119.643 -2.214 17717 16258 1 17 . 1 1 32 32 PHE HA H 32 4.020 4.020 4.101 -0.081 17717 16259 1 17 . 1 1 32 32 PHE CA C 32 60.600 60.600 60.780 -0.180 17717 16260 1 17 . 1 1 32 32 PHE CB C 32 36.896 36.896 38.569 -1.673 17717 16261 1 17 . 1 1 32 32 PHE H H 32 7.200 7.200 7.651 -0.451 17717 16262 1 17 . 1 1 33 33 GLU N N 33 122.210 122.210 118.085 4.125 17717 16263 1 17 . 1 1 33 33 GLU HA H 33 4.769 4.769 3.539 1.230 17717 16264 1 17 . 1 1 33 33 GLU CA C 33 59.220 59.220 58.886 0.334 17717 16265 1 17 . 1 1 33 33 GLU CB C 33 29.240 29.240 29.071 0.169 17717 16266 1 17 . 1 1 33 33 GLU H H 33 8.160 8.160 7.574 0.586 17717 16267 1 17 . 1 1 34 34 SER N N 34 109.991 109.991 113.369 -3.378 17717 16268 1 17 . 1 1 34 34 SER HA H 34 4.309 4.309 4.242 0.067 17717 16269 1 17 . 1 1 34 34 SER CA C 34 58.240 58.240 60.586 -2.345 17717 16270 1 17 . 1 1 34 34 SER CB C 34 63.260 63.260 62.909 0.351 17717 16271 1 17 . 1 1 34 34 SER H H 34 7.890 7.890 7.322 0.568 17717 16272 1 17 . 1 1 35 35 SER N N 35 120.085 120.085 118.921 1.164 17717 16273 1 17 . 1 1 35 35 SER HA H 35 4.354 4.354 4.004 0.350 17717 16274 1 17 . 1 1 35 35 SER CA C 35 58.100 58.100 62.233 -4.133 17717 16275 1 17 . 1 1 35 35 SER CB C 35 64.398 64.398 63.064 1.334 17717 16276 1 17 . 1 1 35 35 SER H H 35 7.420 7.420 8.099 -0.679 17717 16277 1 17 . 1 1 36 36 SER N N 36 116.130 116.130 118.205 -2.075 17717 16278 1 17 . 1 1 36 36 SER HA H 36 4.350 4.350 4.046 0.304 17717 16279 1 17 . 1 1 36 36 SER CA C 36 58.600 58.600 61.841 -3.241 17717 16280 1 17 . 1 1 36 36 SER CB C 36 63.370 63.370 62.789 0.581 17717 16281 1 17 . 1 1 36 36 SER H H 36 8.100 8.100 7.496 0.604 17717 16282 1 17 . 1 1 37 37 LEU N N 37 121.678 121.678 121.624 0.054 17717 16283 1 17 . 1 1 37 37 LEU HA H 37 4.222 4.222 4.046 0.176 17717 16284 1 17 . 1 1 37 37 LEU CA C 37 56.400 56.400 57.074 -0.674 17717 16285 1 17 . 1 1 37 37 LEU CB C 37 41.200 41.200 41.781 -0.581 17717 16286 1 17 . 1 1 37 37 LEU H H 37 8.290 8.290 7.385 0.905 17717 16287 1 17 . 1 1 38 38 GLY N N 38 108.400 108.400 104.606 3.794 17717 16288 1 17 . 1 1 38 38 GLY CA C 38 46.220 46.220 46.449 -0.229 17717 16289 1 17 . 1 1 38 38 GLY H H 38 7.280 7.280 8.088 -0.808 17717 16290 1 17 . 1 1 39 39 GLN N N 39 120.920 120.920 122.525 -1.605 17717 16291 1 17 . 1 1 39 39 GLN HA H 39 4.092 4.092 3.940 0.152 17717 16292 1 17 . 1 1 39 39 GLN CA C 39 57.423 57.423 58.711 -1.288 17717 16293 1 17 . 1 1 39 39 GLN CB C 39 28.847 28.847 28.341 0.506 17717 16294 1 17 . 1 1 39 39 GLN H H 39 8.360 8.360 7.900 0.460 17717 16295 1 17 . 1 1 40 40 GLN N N 40 118.648 118.648 119.036 -0.388 17717 16296 1 17 . 1 1 40 40 GLN HA H 40 4.040 4.040 4.039 0.001 17717 16297 1 17 . 1 1 40 40 GLN CA C 40 57.471 57.471 58.548 -1.077 17717 16298 1 17 . 1 1 40 40 GLN CB C 40 28.777 28.777 28.365 0.412 17717 16299 1 17 . 1 1 40 40 GLN H H 40 7.630 7.630 7.662 -0.032 17717 16300 1 17 . 1 1 41 41 LEU N N 41 116.800 116.800 121.804 -5.004 17717 16301 1 17 . 1 1 41 41 LEU HA H 41 4.222 4.222 3.954 0.268 17717 16302 1 17 . 1 1 41 41 LEU CA C 41 55.400 55.400 58.129 -2.729 17717 16303 1 17 . 1 1 41 41 LEU CB C 41 41.754 41.754 41.978 -0.224 17717 16304 1 17 . 1 1 41 41 LEU H H 41 8.010 8.010 7.830 0.180 17717 16305 1 17 . 1 1 42 42 ASN N N 42 115.840 115.840 117.318 -1.478 17717 16306 1 17 . 1 1 42 42 ASN HA H 42 4.485 4.485 4.396 0.089 17717 16307 1 17 . 1 1 42 42 ASN CA C 42 53.500 53.500 56.271 -2.771 17717 16308 1 17 . 1 1 42 42 ASN CB C 42 37.000 37.000 38.686 -1.686 17717 16309 1 17 . 1 1 42 42 ASN H H 42 7.840 7.840 7.766 0.074 17717 16310 1 17 . 1 1 43 43 LEU N N 43 118.490 118.490 120.046 -1.556 17717 16311 1 17 . 1 1 43 43 LEU HA H 43 4.480 4.480 4.095 0.385 17717 16312 1 17 . 1 1 43 43 LEU CA C 43 55.502 55.502 57.410 -1.908 17717 16313 1 17 . 1 1 43 43 LEU CB C 43 41.200 41.200 41.310 -0.110 17717 16314 1 17 . 1 1 43 43 LEU H H 43 9.670 9.670 8.011 1.659 17717 16315 1 17 . 1 1 44 44 ASN N N 44 119.553 119.553 117.075 2.478 17717 16316 1 17 . 1 1 44 44 ASN HA H 44 4.520 4.520 4.610 -0.090 17717 16317 1 17 . 1 1 44 44 ASN CA C 44 52.770 52.770 56.129 -3.359 17717 16318 1 17 . 1 1 44 44 ASN CB C 44 36.200 36.200 38.506 -2.306 17717 16319 1 17 . 1 1 44 44 ASN H H 44 8.950 8.950 8.090 0.860 17717 16320 1 17 . 1 1 45 45 LEU N N 45 119.553 119.553 118.182 1.371 17717 16321 1 17 . 1 1 45 45 LEU HA H 45 4.048 4.048 4.230 -0.182 17717 16322 1 17 . 1 1 45 45 LEU CA C 45 55.569 55.569 57.820 -2.251 17717 16323 1 17 . 1 1 45 45 LEU CB C 45 41.250 41.250 41.677 -0.427 17717 16324 1 17 . 1 1 45 45 LEU H H 45 8.970 8.970 7.656 1.314 17717 16325 1 17 . 1 1 46 46 LEU N N 46 116.900 116.900 119.746 -2.846 17717 16326 1 17 . 1 1 46 46 LEU HA H 46 4.351 4.351 4.182 0.169 17717 16327 1 17 . 1 1 46 46 LEU CA C 46 54.684 54.684 57.883 -3.199 17717 16328 1 17 . 1 1 46 46 LEU CB C 46 39.800 39.800 42.239 -2.439 17717 16329 1 17 . 1 1 46 46 LEU H H 46 8.450 8.450 7.342 1.108 17717 16330 1 17 . 1 1 47 47 GLU N N 47 122.741 122.741 118.487 4.254 17717 16331 1 17 . 1 1 47 47 GLU HA H 47 4.018 4.018 4.058 -0.040 17717 16332 1 17 . 1 1 47 47 GLU CA C 47 58.280 58.280 59.556 -1.276 17717 16333 1 17 . 1 1 47 47 GLU CB C 47 28.800 28.800 29.238 -0.438 17717 16334 1 17 . 1 1 47 47 GLU H H 47 7.490 7.490 8.038 -0.548 17717 16335 1 17 . 1 1 48 48 ASN N N 48 117.200 117.200 118.533 -1.333 17717 16336 1 17 . 1 1 48 48 ASN HA H 48 4.300 4.300 4.579 -0.279 17717 16337 1 17 . 1 1 48 48 ASN CA C 48 53.550 53.550 56.071 -2.521 17717 16338 1 17 . 1 1 48 48 ASN CB C 48 38.490 38.490 38.618 -0.128 17717 16339 1 17 . 1 1 48 48 ASN H H 48 8.450 8.450 8.459 -0.009 17717 16340 1 17 . 1 1 49 49 TRP N N 49 119.320 119.320 119.492 -0.172 17717 16341 1 17 . 1 1 49 49 TRP HA H 49 4.300 4.300 4.561 -0.261 17717 16342 1 17 . 1 1 49 49 TRP CA C 49 56.200 56.200 58.928 -2.728 17717 16343 1 17 . 1 1 49 49 TRP CB C 49 27.800 27.800 29.917 -2.117 17717 16344 1 17 . 1 1 49 49 TRP H H 49 8.050 8.050 7.533 0.517 17717 16345 1 17 . 1 1 50 50 ASP N N 50 124.860 124.860 118.406 6.454 17717 16346 1 17 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.453 0.237 17717 16347 1 17 . 1 1 50 50 ASP CA C 50 54.180 54.180 56.068 -1.888 17717 16348 1 17 . 1 1 50 50 ASP CB C 50 40.318 40.318 42.310 -1.992 17717 16349 1 17 . 1 1 50 50 ASP H H 50 8.470 8.470 7.780 0.690 17717 16350 1 17 . 1 1 51 51 THR N N 51 114.240 114.240 113.227 1.013 17717 16351 1 17 . 1 1 51 51 THR HA H 51 4.250 4.250 4.471 -0.221 17717 16352 1 17 . 1 1 51 51 THR CA C 51 61.800 61.800 63.072 -1.272 17717 16353 1 17 . 1 1 51 51 THR CB C 51 69.000 69.000 71.455 -2.455 17717 16354 1 17 . 1 1 51 51 THR H H 51 7.920 7.920 8.350 -0.430 17717 16355 1 17 . 1 1 52 52 LEU N N 52 124.335 124.335 120.202 4.133 17717 16356 1 17 . 1 1 52 52 LEU HA H 52 4.261 4.261 4.760 -0.499 17717 16357 1 17 . 1 1 52 52 LEU CA C 52 54.800 54.800 53.838 0.962 17717 16358 1 17 . 1 1 52 52 LEU CB C 52 41.200 41.200 44.042 -2.842 17717 16359 1 17 . 1 1 52 52 LEU H H 52 8.000 8.000 7.856 0.144 17717 16360 1 17 . 1 1 53 53 GLY N N 53 109.991 109.991 110.504 -0.513 17717 16361 1 17 . 1 1 53 53 GLY CA C 53 44.700 44.700 46.496 -1.796 17717 16362 1 17 . 1 1 53 53 GLY H H 53 8.450 8.450 8.739 -0.289 17717 16363 1 17 . 1 1 54 54 SER N N 54 113.710 113.710 116.249 -2.539 17717 16364 1 17 . 1 1 54 54 SER HA H 54 4.480 4.480 4.297 0.183 17717 16365 1 17 . 1 1 54 54 SER CA C 54 57.300 57.300 59.454 -2.154 17717 16366 1 17 . 1 1 54 54 SER CB C 54 63.100 63.100 63.670 -0.570 17717 16367 1 17 . 1 1 54 54 SER H H 54 8.060 8.060 8.069 -0.009 17717 16368 1 17 . 1 1 55 55 THR N N 55 116.897 116.897 116.123 0.774 17717 16369 1 17 . 1 1 55 55 THR HA H 55 4.044 4.044 4.638 -0.594 17717 16370 1 17 . 1 1 55 55 THR CA C 55 61.700 61.700 60.992 0.708 17717 16371 1 17 . 1 1 55 55 THR CB C 55 69.800 69.800 70.969 -1.169 17717 16372 1 17 . 1 1 55 55 THR H H 55 8.210 8.210 7.833 0.377 17717 16373 1 17 . 1 1 56 56 VAL N N 56 123.300 123.300 115.100 8.200 17717 16374 1 17 . 1 1 56 56 VAL HA H 56 3.793 3.793 4.400 -0.607 17717 16375 1 17 . 1 1 56 56 VAL CA C 56 66.384 66.384 62.818 3.567 17717 16376 1 17 . 1 1 56 56 VAL CB C 56 30.268 30.268 31.905 -1.637 17717 16377 1 17 . 1 1 56 56 VAL H H 56 8.280 8.280 8.086 0.194 17717 16378 1 17 . 1 1 57 57 SER N N 57 117.429 117.429 117.072 0.357 17717 16379 1 17 . 1 1 57 57 SER HA H 57 4.136 4.136 4.508 -0.372 17717 16380 1 17 . 1 1 57 57 SER CA C 57 61.100 61.100 59.793 1.307 17717 16381 1 17 . 1 1 57 57 SER CB C 57 62.800 62.800 63.257 -0.457 17717 16382 1 17 . 1 1 57 57 SER H H 57 7.850 7.850 8.336 -0.486 17717 16383 1 17 . 1 1 58 58 GLN N N 58 128.580 128.580 117.218 11.362 17717 16384 1 17 . 1 1 58 58 GLN HA H 58 4.260 4.260 4.422 -0.162 17717 16385 1 17 . 1 1 58 58 GLN CA C 58 56.642 56.642 56.514 0.128 17717 16386 1 17 . 1 1 58 58 GLN CB C 58 29.023 29.023 28.789 0.234 17717 16387 1 17 . 1 1 58 58 GLN H H 58 7.990 7.990 8.045 -0.055 17717 16388 1 17 . 1 1 59 59 LEU N N 59 122.210 122.210 119.968 2.242 17717 16389 1 17 . 1 1 59 59 LEU HA H 59 4.310 4.310 3.914 0.396 17717 16390 1 17 . 1 1 59 59 LEU CA C 59 55.300 55.300 58.592 -3.292 17717 16391 1 17 . 1 1 59 59 LEU CB C 59 41.160 41.160 40.814 0.346 17717 16392 1 17 . 1 1 59 59 LEU H H 59 8.050 8.050 8.092 -0.042 17717 16393 1 17 . 1 1 60 60 GLN N N 60 120.085 120.085 118.972 1.113 17717 16394 1 17 . 1 1 60 60 GLN HA H 60 4.222 4.222 4.196 0.026 17717 16395 1 17 . 1 1 60 60 GLN CA C 60 55.960 55.960 58.806 -2.846 17717 16396 1 17 . 1 1 60 60 GLN CB C 60 27.900 27.900 27.675 0.225 17717 16397 1 17 . 1 1 60 60 GLN H H 60 8.210 8.210 8.598 -0.388 17717 16398 1 17 . 1 1 61 61 GLU N N 61 120.920 120.920 118.305 2.615 17717 16399 1 17 . 1 1 61 61 GLU HA H 61 4.216 4.216 3.985 0.231 17717 16400 1 17 . 1 1 61 61 GLU CA C 61 56.900 56.900 59.464 -2.564 17717 16401 1 17 . 1 1 61 61 GLU CB C 61 28.500 28.500 29.282 -0.782 17717 16402 1 17 . 1 1 61 61 GLU H H 61 8.590 8.590 8.689 -0.099 17717 16403 1 17 . 1 1 62 62 ARG N N 62 118.833 118.833 117.910 0.923 17717 16404 1 17 . 1 1 62 62 ARG HA H 62 4.161 4.161 4.215 -0.054 17717 16405 1 17 . 1 1 62 62 ARG CA C 62 58.030 58.030 57.888 0.142 17717 16406 1 17 . 1 1 62 62 ARG CB C 62 29.400 29.400 30.294 -0.894 17717 16407 1 17 . 1 1 62 62 ARG H H 62 7.680 7.680 8.271 -0.591 17717 16408 1 17 . 1 1 63 63 LEU N N 63 118.790 118.790 120.637 -1.847 17717 16409 1 17 . 1 1 63 63 LEU HA H 63 4.100 4.100 4.048 0.052 17717 16410 1 17 . 1 1 63 63 LEU CA C 63 56.360 56.360 57.504 -1.144 17717 16411 1 17 . 1 1 63 63 LEU CB C 63 41.130 41.130 41.340 -0.210 17717 16412 1 17 . 1 1 63 63 LEU H H 63 8.320 8.320 7.739 0.581 17717 16413 1 17 . 1 1 64 64 GLY N N 64 104.679 104.679 108.068 -3.389 17717 16414 1 17 . 1 1 64 64 GLY CA C 64 44.145 44.145 48.015 -3.870 17717 16415 1 17 . 1 1 64 64 GLY H H 64 7.220 7.220 8.351 -1.131 17717 16416 1 17 . 1 1 65 65 PRO CA C 65 62.817 62.817 64.767 -1.950 17717 16417 1 17 . 1 1 65 65 PRO CB C 65 31.290 31.290 31.391 -0.101 17717 16418 1 17 . 1 1 66 66 LEU N N 66 124.866 124.866 120.853 4.013 17717 16419 1 17 . 1 1 66 66 LEU HA H 66 4.609 4.609 4.134 0.475 17717 16420 1 17 . 1 1 66 66 LEU CA C 66 52.900 52.900 58.535 -5.635 17717 16421 1 17 . 1 1 66 66 LEU CB C 66 43.200 43.200 40.977 2.223 17717 16422 1 17 . 1 1 66 66 LEU H H 66 8.550 8.550 7.954 0.596 17717 16423 1 17 . 1 1 67 67 THR N N 67 112.116 112.116 113.006 -0.890 17717 16424 1 17 . 1 1 67 67 THR HA H 67 4.824 4.824 4.360 0.464 17717 16425 1 17 . 1 1 67 67 THR CA C 67 59.240 59.240 66.141 -6.901 17717 16426 1 17 . 1 1 67 67 THR CB C 67 71.550 71.550 68.938 2.612 17717 16427 1 17 . 1 1 67 67 THR H H 67 7.650 7.650 7.802 -0.152 17717 16428 1 17 . 1 1 68 68 ARG N N 68 120.085 120.085 119.763 0.322 17717 16429 1 17 . 1 1 68 68 ARG HA H 68 4.230 4.230 3.968 0.262 17717 16430 1 17 . 1 1 68 68 ARG CA C 68 58.600 58.600 59.259 -0.659 17717 16431 1 17 . 1 1 68 68 ARG CB C 68 28.900 28.900 30.061 -1.161 17717 16432 1 17 . 1 1 68 68 ARG H H 68 8.950 8.950 7.488 1.462 17717 16433 1 17 . 1 1 69 69 ASP N N 69 116.366 116.366 120.052 -3.686 17717 16434 1 17 . 1 1 69 69 ASP HA H 69 4.249 4.249 4.344 -0.095 17717 16435 1 17 . 1 1 69 69 ASP CA C 69 56.100 56.100 58.392 -2.292 17717 16436 1 17 . 1 1 69 69 ASP CB C 69 39.550 39.550 40.627 -1.077 17717 16437 1 17 . 1 1 69 69 ASP H H 69 8.100 8.100 7.809 0.291 17717 16438 1 17 . 1 1 70 70 PHE N N 70 119.553 119.553 118.771 0.782 17717 16439 1 17 . 1 1 70 70 PHE HA H 70 4.090 4.090 4.022 0.068 17717 16440 1 17 . 1 1 70 70 PHE CA C 70 60.700 60.700 59.373 1.327 17717 16441 1 17 . 1 1 70 70 PHE CB C 70 38.100 38.100 37.792 0.307 17717 16442 1 17 . 1 1 70 70 PHE H H 70 7.420 7.420 7.186 0.234 17717 16443 1 17 . 1 1 71 71 TRP N N 71 120.085 120.085 122.377 -2.292 17717 16444 1 17 . 1 1 71 71 TRP HA H 71 4.044 4.044 3.270 0.774 17717 16445 1 17 . 1 1 71 71 TRP CA C 71 58.100 58.100 61.639 -3.538 17717 16446 1 17 . 1 1 71 71 TRP CB C 71 28.100 28.100 28.757 -0.657 17717 16447 1 17 . 1 1 71 71 TRP H H 71 6.950 6.950 7.075 -0.125 17717 16448 1 17 . 1 1 72 72 ASP N N 72 121.450 121.450 118.677 2.773 17717 16449 1 17 . 1 1 72 72 ASP HA H 72 4.310 4.310 3.691 0.619 17717 16450 1 17 . 1 1 72 72 ASP CA C 72 55.350 55.350 56.163 -0.813 17717 16451 1 17 . 1 1 72 72 ASP CB C 72 40.000 40.000 40.427 -0.427 17717 16452 1 17 . 1 1 72 72 ASP H H 72 8.350 8.350 7.749 0.601 17717 16453 1 17 . 1 1 73 73 ASN N N 73 117.200 117.200 118.442 -1.242 17717 16454 1 17 . 1 1 73 73 ASN HA H 73 4.220 4.220 4.384 -0.164 17717 16455 1 17 . 1 1 73 73 ASN CA C 73 54.500 54.500 56.558 -2.058 17717 16456 1 17 . 1 1 73 73 ASN CB C 73 40.000 40.000 38.919 1.081 17717 16457 1 17 . 1 1 73 73 ASN H H 73 7.700 7.700 7.651 0.049 17717 16458 1 17 . 1 1 74 74 LEU N N 74 123.600 123.600 120.335 3.265 17717 16459 1 17 . 1 1 74 74 LEU HA H 74 4.350 4.350 4.361 -0.011 17717 16460 1 17 . 1 1 74 74 LEU CA C 74 54.700 54.700 57.866 -3.166 17717 16461 1 17 . 1 1 74 74 LEU CB C 74 41.400 41.400 42.249 -0.849 17717 16462 1 17 . 1 1 74 74 LEU H H 74 8.330 8.330 8.428 -0.098 17717 16463 1 17 . 1 1 75 75 GLU N N 75 121.400 121.400 120.443 0.957 17717 16464 1 17 . 1 1 75 75 GLU HA H 75 4.000 4.000 3.726 0.274 17717 16465 1 17 . 1 1 75 75 GLU CA C 75 58.200 58.200 59.501 -1.301 17717 16466 1 17 . 1 1 75 75 GLU CB C 75 28.400 28.400 29.076 -0.676 17717 16467 1 17 . 1 1 75 75 GLU H H 75 8.600 8.600 8.262 0.338 17717 16468 1 17 . 1 1 76 76 LYS N N 76 118.000 118.000 118.920 -0.920 17717 16469 1 17 . 1 1 76 76 LYS HA H 76 4.117 4.117 4.131 -0.014 17717 16470 1 17 . 1 1 76 76 LYS CA C 76 58.400 58.400 58.818 -0.418 17717 16471 1 17 . 1 1 76 76 LYS CB C 76 32.480 32.480 32.442 0.038 17717 16472 1 17 . 1 1 76 76 LYS H H 76 7.690 7.690 7.337 0.353 17717 16473 1 17 . 1 1 77 77 GLU N N 77 115.835 115.835 119.114 -3.279 17717 16474 1 17 . 1 1 77 77 GLU HA H 77 4.310 4.310 3.956 0.354 17717 16475 1 17 . 1 1 77 77 GLU CA C 77 54.785 54.785 60.142 -5.357 17717 16476 1 17 . 1 1 77 77 GLU CB C 77 28.355 28.355 29.388 -1.033 17717 16477 1 17 . 1 1 77 77 GLU H H 77 8.290 8.290 7.798 0.492 17717 16478 1 17 . 1 1 78 78 THR N N 78 120.300 120.300 112.346 7.954 17717 16479 1 17 . 1 1 78 78 THR HA H 78 4.410 4.410 3.876 0.534 17717 16480 1 17 . 1 1 78 78 THR CA C 78 68.100 68.100 66.428 1.672 17717 16481 1 17 . 1 1 78 78 THR CB C 78 69.451 69.451 68.644 0.806 17717 16482 1 17 . 1 1 78 78 THR H H 78 7.490 7.490 8.244 -0.754 17717 16483 1 17 . 1 1 79 79 ASP N N 79 120.085 120.085 121.846 -1.761 17717 16484 1 17 . 1 1 79 79 ASP HA H 79 4.480 4.480 4.359 0.121 17717 16485 1 17 . 1 1 79 79 ASP CA C 79 57.426 57.426 56.958 0.468 17717 16486 1 17 . 1 1 79 79 ASP CB C 79 39.240 39.240 40.625 -1.385 17717 16487 1 17 . 1 1 79 79 ASP H H 79 8.880 8.880 7.749 1.131 17717 16488 1 17 . 1 1 80 80 TRP N N 80 123.803 123.803 122.043 1.760 17717 16489 1 17 . 1 1 80 80 TRP HA H 80 4.280 4.280 4.355 -0.075 17717 16490 1 17 . 1 1 80 80 TRP CA C 80 60.660 60.660 61.588 -0.928 17717 16491 1 17 . 1 1 80 80 TRP CB C 80 27.000 27.000 30.419 -3.419 17717 16492 1 17 . 1 1 80 80 TRP H H 80 7.760 7.760 7.912 -0.152 17717 16493 1 17 . 1 1 81 81 VAL N N 81 118.790 118.790 117.427 1.363 17717 16494 1 17 . 1 1 81 81 VAL HA H 81 4.280 4.280 3.852 0.428 17717 16495 1 17 . 1 1 81 81 VAL CA C 81 61.200 61.200 66.289 -5.089 17717 16496 1 17 . 1 1 81 81 VAL CB C 81 29.900 29.900 31.697 -1.797 17717 16497 1 17 . 1 1 81 81 VAL H H 81 8.160 8.160 8.927 -0.767 17717 16498 1 17 . 1 1 82 82 ARG N N 82 119.190 119.190 119.954 -0.764 17717 16499 1 17 . 1 1 82 82 ARG HA H 82 4.480 4.480 3.951 0.529 17717 16500 1 17 . 1 1 82 82 ARG CA C 82 58.400 58.400 59.416 -1.016 17717 16501 1 17 . 1 1 82 82 ARG CB C 82 29.800 29.800 30.072 -0.272 17717 16502 1 17 . 1 1 82 82 ARG H H 82 7.100 7.100 8.450 -1.350 17717 16503 1 17 . 1 1 83 83 GLN N N 83 117.960 117.960 118.301 -0.341 17717 16504 1 17 . 1 1 83 83 GLN HA H 83 4.222 4.222 3.948 0.274 17717 16505 1 17 . 1 1 83 83 GLN CA C 83 55.600 55.600 58.478 -2.878 17717 16506 1 17 . 1 1 83 83 GLN CB C 83 28.550 28.550 28.196 0.354 17717 16507 1 17 . 1 1 83 83 GLN H H 83 8.050 8.050 7.734 0.316 17717 16508 1 17 . 1 1 84 84 GLU N N 84 119.022 119.022 118.370 0.652 17717 16509 1 17 . 1 1 84 84 GLU HA H 84 4.100 4.100 3.927 0.173 17717 16510 1 17 . 1 1 84 84 GLU CA C 84 57.300 57.300 58.132 -0.832 17717 16511 1 17 . 1 1 84 84 GLU CB C 84 28.600 28.600 29.089 -0.489 17717 16512 1 17 . 1 1 84 84 GLU H H 84 7.920 7.920 8.354 -0.434 17717 16513 1 17 . 1 1 85 85 MET N N 85 117.565 117.565 120.729 -3.164 17717 16514 1 17 . 1 1 85 85 MET HA H 85 4.265 4.265 3.964 0.301 17717 16515 1 17 . 1 1 85 85 MET CA C 85 55.020 55.020 59.099 -4.079 17717 16516 1 17 . 1 1 85 85 MET CB C 85 33.000 33.000 32.137 0.863 17717 16517 1 17 . 1 1 85 85 MET H H 85 8.230 8.230 7.851 0.379 17717 16518 1 17 . 1 1 86 86 ASN N N 86 119.022 119.022 116.547 2.475 17717 16519 1 17 . 1 1 86 86 ASN HA H 86 4.570 4.570 4.507 0.063 17717 16520 1 17 . 1 1 86 86 ASN CA C 86 56.000 56.000 55.564 0.436 17717 16521 1 17 . 1 1 86 86 ASN CB C 86 37.700 37.700 38.457 -0.757 17717 16522 1 17 . 1 1 86 86 ASN H H 86 8.600 8.600 7.705 0.895 17717 16523 1 17 . 1 1 87 87 LYS N N 87 120.273 120.273 120.571 -0.298 17717 16524 1 17 . 1 1 87 87 LYS HA H 87 4.100 4.100 3.900 0.200 17717 16525 1 17 . 1 1 87 87 LYS CA C 87 59.000 59.000 59.908 -0.908 17717 16526 1 17 . 1 1 87 87 LYS CB C 87 30.900 30.900 32.122 -1.222 17717 16527 1 17 . 1 1 87 87 LYS H H 87 7.220 7.220 7.565 -0.345 17717 16528 1 17 . 1 1 88 88 ASP N N 88 121.147 121.147 119.348 1.799 17717 16529 1 17 . 1 1 88 88 ASP HA H 88 4.480 4.480 4.391 0.089 17717 16530 1 17 . 1 1 88 88 ASP CA C 88 56.840 56.840 57.348 -0.508 17717 16531 1 17 . 1 1 88 88 ASP CB C 88 39.450 39.450 40.557 -1.107 17717 16532 1 17 . 1 1 88 88 ASP H H 88 7.390 7.390 8.150 -0.760 17717 16533 1 17 . 1 1 89 89 LEU N N 89 122.741 122.741 120.185 2.556 17717 16534 1 17 . 1 1 89 89 LEU HA H 89 4.470 4.470 3.921 0.549 17717 16535 1 17 . 1 1 89 89 LEU CA C 89 57.000 57.000 58.717 -1.717 17717 16536 1 17 . 1 1 89 89 LEU CB C 89 41.000 41.000 42.232 -1.232 17717 16537 1 17 . 1 1 89 89 LEU H H 89 8.910 8.910 7.422 1.488 17717 16538 1 17 . 1 1 90 90 GLU N N 90 119.553 119.553 117.487 2.066 17717 16539 1 17 . 1 1 90 90 GLU HA H 90 4.050 4.050 4.124 -0.074 17717 16540 1 17 . 1 1 90 90 GLU CA C 90 59.100 59.100 58.510 0.590 17717 16541 1 17 . 1 1 90 90 GLU CB C 90 28.556 28.556 29.723 -1.167 17717 16542 1 17 . 1 1 90 90 GLU H H 90 8.260 8.260 7.738 0.522 17717 16543 1 17 . 1 1 91 91 GLU N N 91 119.190 119.190 120.179 -0.989 17717 16544 1 17 . 1 1 91 91 GLU HA H 91 4.136 4.136 4.125 0.011 17717 16545 1 17 . 1 1 91 91 GLU CA C 91 58.600 58.600 59.289 -0.689 17717 16546 1 17 . 1 1 91 91 GLU CB C 91 28.600 28.600 29.984 -1.384 17717 16547 1 17 . 1 1 91 91 GLU H H 91 7.470 7.470 8.162 -0.692 17717 16548 1 17 . 1 1 92 92 VAL N N 92 122.230 122.230 115.733 6.497 17717 16549 1 17 . 1 1 92 92 VAL HA H 92 3.837 3.837 3.887 -0.050 17717 16550 1 17 . 1 1 92 92 VAL CA C 92 65.900 65.900 66.350 -0.450 17717 16551 1 17 . 1 1 92 92 VAL CB C 92 29.200 29.200 32.004 -2.804 17717 16552 1 17 . 1 1 92 92 VAL H H 92 8.420 8.420 8.279 0.141 17717 16553 1 17 . 1 1 93 93 LYS N N 93 121.300 121.300 118.776 2.524 17717 16554 1 17 . 1 1 93 93 LYS HA H 93 3.836 3.836 4.162 -0.326 17717 16555 1 17 . 1 1 93 93 LYS CA C 93 59.900 59.900 58.792 1.108 17717 16556 1 17 . 1 1 93 93 LYS CB C 93 31.277 31.277 31.872 -0.595 17717 16557 1 17 . 1 1 93 93 LYS H H 93 9.000 9.000 7.698 1.302 17717 16558 1 17 . 1 1 94 94 GLN N N 94 116.900 116.900 115.742 1.158 17717 16559 1 17 . 1 1 94 94 GLN HA H 94 4.094 4.094 4.346 -0.252 17717 16560 1 17 . 1 1 94 94 GLN CA C 94 57.731 57.731 57.700 0.031 17717 16561 1 17 . 1 1 94 94 GLN CB C 94 27.700 27.700 28.490 -0.790 17717 16562 1 17 . 1 1 94 94 GLN H H 94 7.320 7.320 7.720 -0.400 17717 16563 1 17 . 1 1 95 95 LYS N N 95 119.190 119.190 119.479 -0.289 17717 16564 1 17 . 1 1 95 95 LYS HA H 95 4.137 4.137 4.254 -0.117 17717 16565 1 17 . 1 1 95 95 LYS CA C 95 57.700 57.700 58.049 -0.349 17717 16566 1 17 . 1 1 95 95 LYS CB C 95 31.800 31.800 33.268 -1.468 17717 16567 1 17 . 1 1 95 95 LYS H H 95 7.590 7.590 7.680 -0.090 17717 16568 1 17 . 1 1 96 96 VAL N N 96 111.000 111.000 116.165 -5.165 17717 16569 1 17 . 1 1 96 96 VAL HA H 96 4.138 4.138 3.718 0.420 17717 16570 1 17 . 1 1 96 96 VAL CA C 96 61.600 61.600 66.014 -4.415 17717 16571 1 17 . 1 1 96 96 VAL CB C 96 31.500 31.500 31.624 -0.124 17717 16572 1 17 . 1 1 96 96 VAL H H 96 7.960 7.960 7.656 0.304 17717 16573 1 17 . 1 1 97 97 GLN N N 97 122.210 122.210 119.342 2.868 17717 16574 1 17 . 1 1 97 97 GLN HA H 97 4.030 4.030 4.028 0.002 17717 16575 1 17 . 1 1 97 97 GLN CA C 97 59.226 59.226 58.406 0.820 17717 16576 1 17 . 1 1 97 97 GLN CB C 97 24.578 24.578 26.274 -1.696 17717 16577 1 17 . 1 1 97 97 GLN H H 97 7.380 7.380 8.143 -0.763 17717 16578 1 17 . 1 1 98 98 PRO CA C 98 65.400 65.400 63.036 2.364 17717 16579 1 17 . 1 1 98 98 PRO CB C 98 30.336 30.336 31.846 -1.510 17717 16580 1 17 . 1 1 99 99 TYR N N 99 116.900 116.900 113.857 3.043 17717 16581 1 17 . 1 1 99 99 TYR HA H 99 4.480 4.480 4.169 0.311 17717 16582 1 17 . 1 1 99 99 TYR CA C 99 58.446 58.446 57.812 0.634 17717 16583 1 17 . 1 1 99 99 TYR CB C 99 36.344 36.344 34.794 1.550 17717 16584 1 17 . 1 1 99 99 TYR H H 99 7.100 7.100 7.255 -0.155 17717 16585 1 17 . 1 1 100 100 LEU N N 100 123.270 123.270 121.696 1.574 17717 16586 1 17 . 1 1 100 100 LEU HA H 100 3.964 3.964 4.531 -0.567 17717 16587 1 17 . 1 1 100 100 LEU CA C 100 57.300 57.300 53.276 4.024 17717 16588 1 17 . 1 1 100 100 LEU CB C 100 40.950 40.950 43.622 -2.672 17717 16589 1 17 . 1 1 100 100 LEU H H 100 7.500 7.500 7.659 -0.159 17717 16590 1 17 . 1 1 101 101 ASP N N 101 119.500 119.500 120.130 -0.630 17717 16591 1 17 . 1 1 101 101 ASP HA H 101 3.810 3.810 4.822 -1.012 17717 16592 1 17 . 1 1 101 101 ASP CA C 101 58.200 58.200 54.100 4.100 17717 16593 1 17 . 1 1 101 101 ASP CB C 101 39.100 39.100 40.455 -1.355 17717 16594 1 17 . 1 1 101 101 ASP H H 101 8.450 8.450 8.425 0.025 17717 16595 1 17 . 1 1 102 102 GLU N N 102 121.221 121.221 120.691 0.530 17717 16596 1 17 . 1 1 102 102 GLU HA H 102 4.222 4.222 3.934 0.288 17717 16597 1 17 . 1 1 102 102 GLU CA C 102 59.200 59.200 59.806 -0.606 17717 16598 1 17 . 1 1 102 102 GLU CB C 102 31.100 31.100 29.380 1.720 17717 16599 1 17 . 1 1 102 102 GLU H H 102 8.190 8.190 8.449 -0.259 17717 16600 1 17 . 1 1 103 103 PHE N N 103 124.065 124.065 118.031 6.034 17717 16601 1 17 . 1 1 103 103 PHE HA H 103 4.520 4.520 4.205 0.315 17717 16602 1 17 . 1 1 103 103 PHE CA C 103 57.183 57.183 61.048 -3.865 17717 16603 1 17 . 1 1 103 103 PHE CB C 103 38.608 38.608 37.507 1.101 17717 16604 1 17 . 1 1 103 103 PHE H H 103 8.170 8.170 7.515 0.655 17717 16605 1 17 . 1 1 104 104 GLN N N 104 123.272 123.272 118.849 4.423 17717 16606 1 17 . 1 1 104 104 GLN HA H 104 4.222 4.222 4.098 0.124 17717 16607 1 17 . 1 1 104 104 GLN CA C 104 55.460 55.460 58.688 -3.228 17717 16608 1 17 . 1 1 104 104 GLN CB C 104 29.200 29.200 28.387 0.813 17717 16609 1 17 . 1 1 104 104 GLN H H 104 8.030 8.030 8.572 -0.542 17717 16610 1 17 . 1 1 105 105 LYS N N 105 119.600 119.600 120.580 -0.980 17717 16611 1 17 . 1 1 105 105 LYS HA H 105 4.136 4.136 4.078 0.058 17717 16612 1 17 . 1 1 105 105 LYS CA C 105 57.830 57.830 59.610 -1.780 17717 16613 1 17 . 1 1 105 105 LYS CB C 105 32.220 32.220 32.476 -0.256 17717 16614 1 17 . 1 1 105 105 LYS H H 105 7.800 7.800 8.402 -0.602 17717 16615 1 17 . 1 1 106 106 LYS N N 106 117.960 117.960 120.673 -2.713 17717 16616 1 17 . 1 1 106 106 LYS HA H 106 4.093 4.093 4.090 0.003 17717 16617 1 17 . 1 1 106 106 LYS CA C 106 57.860 57.860 59.181 -1.321 17717 16618 1 17 . 1 1 106 106 LYS CB C 106 32.080 32.080 31.862 0.218 17717 16619 1 17 . 1 1 106 106 LYS H H 106 7.740 7.740 8.120 -0.380 17717 16620 1 17 . 1 1 107 107 TRP N N 107 119.320 119.320 119.970 -0.650 17717 16621 1 17 . 1 1 107 107 TRP HA H 107 4.310 4.310 4.312 -0.002 17717 16622 1 17 . 1 1 107 107 TRP CA C 107 54.900 54.900 60.152 -5.252 17717 16623 1 17 . 1 1 107 107 TRP CB C 107 28.400 28.400 29.446 -1.046 17717 16624 1 17 . 1 1 107 107 TRP H H 107 8.390 8.390 7.691 0.699 17717 16625 1 17 . 1 1 108 108 LYS N N 108 120.390 120.390 119.594 0.796 17717 16626 1 17 . 1 1 108 108 LYS HA H 108 4.350 4.350 3.761 0.589 17717 16627 1 17 . 1 1 108 108 LYS CA C 108 58.170 58.170 58.532 -0.362 17717 16628 1 17 . 1 1 108 108 LYS CB C 108 30.250 30.250 31.924 -1.674 17717 16629 1 17 . 1 1 108 108 LYS H H 108 7.420 7.420 7.827 -0.407 17717 16630 1 17 . 1 1 109 109 GLU N N 109 120.220 120.220 120.257 -0.037 17717 16631 1 17 . 1 1 109 109 GLU HA H 109 3.922 3.922 3.997 -0.075 17717 16632 1 17 . 1 1 109 109 GLU CA C 109 58.230 58.230 59.388 -1.158 17717 16633 1 17 . 1 1 109 109 GLU CB C 109 29.230 29.230 29.952 -0.722 17717 16634 1 17 . 1 1 109 109 GLU H H 109 7.800 7.800 7.586 0.214 17717 16635 1 17 . 1 1 110 110 ASP N N 110 121.678 121.678 120.248 1.430 17717 16636 1 17 . 1 1 110 110 ASP HA H 110 4.096 4.096 4.204 -0.108 17717 16637 1 17 . 1 1 110 110 ASP CA C 110 57.514 57.514 57.355 0.159 17717 16638 1 17 . 1 1 110 110 ASP CB C 110 40.005 40.005 40.586 -0.581 17717 16639 1 17 . 1 1 110 110 ASP H H 110 8.220 8.220 8.443 -0.223 17717 16640 1 17 . 1 1 111 111 VAL N N 111 123.537 123.537 117.069 6.468 17717 16641 1 17 . 1 1 111 111 VAL CA C 111 66.380 66.380 66.399 -0.019 17717 16642 1 17 . 1 1 111 111 VAL CB C 111 30.800 30.800 30.701 0.099 17717 16643 1 17 . 1 1 111 111 VAL H H 111 9.170 9.170 7.488 1.682 17717 16644 1 17 . 1 1 112 112 GLU N N 112 120.200 120.200 120.683 -0.483 17717 16645 1 17 . 1 1 112 112 GLU HA H 112 4.179 4.179 3.976 0.203 17717 16646 1 17 . 1 1 112 112 GLU CA C 112 58.431 58.431 59.431 -1.000 17717 16647 1 17 . 1 1 112 112 GLU CB C 112 27.878 27.878 29.497 -1.619 17717 16648 1 17 . 1 1 112 112 GLU H H 112 7.540 7.540 7.333 0.207 17717 16649 1 17 . 1 1 113 113 LEU N N 113 120.815 120.815 118.504 2.311 17717 16650 1 17 . 1 1 113 113 LEU HA H 113 4.439 4.439 3.785 0.654 17717 16651 1 17 . 1 1 113 113 LEU CA C 113 53.800 53.800 57.648 -3.848 17717 16652 1 17 . 1 1 113 113 LEU CB C 113 41.060 41.060 40.677 0.383 17717 16653 1 17 . 1 1 113 113 LEU H H 113 7.900 7.900 7.555 0.345 17717 16654 1 17 . 1 1 114 114 TYR N N 114 120.920 120.920 120.037 0.883 17717 16655 1 17 . 1 1 114 114 TYR HA H 114 4.520 4.520 4.049 0.471 17717 16656 1 17 . 1 1 114 114 TYR CA C 114 56.942 56.942 61.690 -4.748 17717 16657 1 17 . 1 1 114 114 TYR CB C 114 37.834 37.834 38.197 -0.363 17717 16658 1 17 . 1 1 114 114 TYR H H 114 8.370 8.370 8.197 0.173 17717 16659 1 17 . 1 1 115 115 ARG N N 115 118.260 118.260 117.565 0.695 17717 16660 1 17 . 1 1 115 115 ARG HA H 115 4.820 4.820 3.945 0.875 17717 16661 1 17 . 1 1 115 115 ARG CA C 115 55.700 55.700 59.592 -3.892 17717 16662 1 17 . 1 1 115 115 ARG CB C 115 30.600 30.600 29.597 1.003 17717 16663 1 17 . 1 1 115 115 ARG H H 115 7.630 7.630 7.814 -0.184 17717 16664 1 17 . 1 1 116 116 GLN N N 116 116.670 116.670 117.291 -0.621 17717 16665 1 17 . 1 1 116 116 GLN HA H 116 4.480 4.480 4.112 0.368 17717 16666 1 17 . 1 1 116 116 GLN CA C 116 57.100 57.100 58.098 -0.998 17717 16667 1 17 . 1 1 116 116 GLN CB C 116 28.060 28.060 28.310 -0.250 17717 16668 1 17 . 1 1 116 116 GLN H H 116 7.980 7.980 7.339 0.641 17717 16669 1 17 . 1 1 117 117 LYS N N 117 119.200 119.200 120.131 -0.931 17717 16670 1 17 . 1 1 117 117 LYS HA H 117 4.211 4.211 3.889 0.322 17717 16671 1 17 . 1 1 117 117 LYS CA C 117 56.700 56.700 58.460 -1.760 17717 16672 1 17 . 1 1 117 117 LYS CB C 117 32.100 32.100 31.524 0.576 17717 16673 1 17 . 1 1 117 117 LYS H H 117 7.780 7.780 7.493 0.287 17717 16674 1 17 . 1 1 118 118 ALA N N 118 122.740 122.740 120.233 2.507 17717 16675 1 17 . 1 1 118 118 ALA HA H 118 4.179 4.179 4.042 0.137 17717 16676 1 17 . 1 1 118 118 ALA CA C 118 52.100 52.100 53.653 -1.553 17717 16677 1 17 . 1 1 118 118 ALA CB C 118 18.100 18.100 19.169 -1.069 17717 16678 1 17 . 1 1 118 118 ALA H H 118 8.100 8.100 8.087 0.013 17717 16679 1 17 . 1 1 119 119 SER N N 119 115.840 115.840 114.863 0.977 17717 16680 1 17 . 1 1 119 119 SER HA H 119 4.210 4.210 4.885 -0.675 17717 16681 1 17 . 1 1 119 119 SER CA C 119 55.900 55.900 54.506 1.394 17717 16682 1 17 . 1 1 119 119 SER CB C 119 62.900 62.900 63.884 -0.984 17717 16683 1 17 . 1 1 119 119 SER H H 119 7.800 7.800 7.562 0.238 17717 16684 1 17 . 1 1 120 120 PRO CA C 120 63.074 63.074 63.056 0.018 17717 16685 1 17 . 1 1 120 120 PRO CB C 120 31.408 31.408 32.024 -0.616 17717 16686 1 17 . 1 1 121 121 GLN N N 121 120.800 120.800 127.152 -6.352 17717 16687 1 17 . 1 1 121 121 GLN HA H 121 4.350 4.350 4.064 0.286 17717 16688 1 17 . 1 1 121 121 GLN CA C 121 55.800 55.800 58.920 -3.120 17717 16689 1 17 . 1 1 121 121 GLN CB C 121 28.300 28.300 27.703 0.596 17717 16690 1 17 . 1 1 121 121 GLN H H 121 8.450 8.450 8.659 -0.209 17717 16691 1 17 . 1 1 122 122 GLY N N 122 109.991 109.991 107.280 2.711 17717 16692 1 17 . 1 1 122 122 GLY CA C 122 44.500 44.500 46.556 -2.056 17717 16693 1 17 . 1 1 122 122 GLY H H 122 8.380 8.380 8.813 -0.433 17717 16694 1 17 . 1 1 123 123 ALA N N 123 124.866 124.866 125.241 -0.375 17717 16695 1 17 . 1 1 123 123 ALA HA H 123 4.280 4.280 4.370 -0.090 17717 16696 1 17 . 1 1 123 123 ALA CA C 123 52.440 52.440 55.075 -2.635 17717 16697 1 17 . 1 1 123 123 ALA CB C 123 18.530 18.530 18.702 -0.172 17717 16698 1 17 . 1 1 123 123 ALA H H 123 8.200 8.200 8.049 0.151 17717 16699 1 17 . 1 1 124 124 GLU N N 124 120.000 120.000 117.968 2.032 17717 16700 1 17 . 1 1 124 124 GLU HA H 124 4.265 4.265 4.167 0.098 17717 16701 1 17 . 1 1 124 124 GLU CA C 124 56.533 56.533 58.457 -1.924 17717 16702 1 17 . 1 1 124 124 GLU CB C 124 29.150 29.150 29.301 -0.151 17717 16703 1 17 . 1 1 124 124 GLU H H 124 8.510 8.510 7.739 0.771 17717 16704 1 17 . 1 1 125 125 LEU N N 125 122.740 122.740 122.826 -0.086 17717 16705 1 17 . 1 1 125 125 LEU HA H 125 4.222 4.222 4.070 0.152 17717 16706 1 17 . 1 1 125 125 LEU CA C 125 55.600 55.600 58.340 -2.740 17717 16707 1 17 . 1 1 125 125 LEU CB C 125 41.500 41.500 41.505 -0.005 17717 16708 1 17 . 1 1 125 125 LEU H H 125 8.110 8.110 8.606 -0.496 17717 16709 1 17 . 1 1 126 126 GLN N N 126 120.616 120.616 116.542 4.074 17717 16710 1 17 . 1 1 126 126 GLN HA H 126 4.140 4.140 4.075 0.065 17717 16711 1 17 . 1 1 126 126 GLN CA C 126 56.600 56.600 58.151 -1.550 17717 16712 1 17 . 1 1 126 126 GLN CB C 126 28.200 28.200 28.411 -0.211 17717 16713 1 17 . 1 1 126 126 GLN H H 126 8.190 8.190 8.216 -0.026 17717 16714 1 17 . 1 1 127 127 GLU N N 127 121.221 121.221 119.407 1.814 17717 16715 1 17 . 1 1 127 127 GLU HA H 127 4.480 4.480 4.120 0.360 17717 16716 1 17 . 1 1 127 127 GLU CA C 127 57.800 57.800 59.172 -1.372 17717 16717 1 17 . 1 1 127 127 GLU CB C 127 28.000 28.000 29.780 -1.780 17717 16718 1 17 . 1 1 127 127 GLU H H 127 8.130 8.130 7.753 0.377 17717 16719 1 17 . 1 1 128 128 SER N N 128 117.960 117.960 116.608 1.352 17717 16720 1 17 . 1 1 128 128 SER HA H 128 4.140 4.140 4.363 -0.223 17717 16721 1 17 . 1 1 128 128 SER CA C 128 57.800 57.800 61.452 -3.652 17717 16722 1 17 . 1 1 128 128 SER CB C 128 63.860 63.860 63.258 0.602 17717 16723 1 17 . 1 1 128 128 SER H H 128 8.580 8.580 8.541 0.039 17717 16724 1 17 . 1 1 129 129 ALA N N 129 132.300 132.300 122.060 10.240 17717 16725 1 17 . 1 1 129 129 ALA CA C 129 53.505 53.505 52.924 0.581 17717 16726 1 17 . 1 1 129 129 ALA CB C 129 18.600 18.600 18.796 -0.195 17717 16727 1 17 . 1 1 129 129 ALA H H 129 7.980 7.980 7.903 0.077 17717 16728 1 17 . 1 1 130 130 ARG N N 130 119.553 119.553 116.936 2.617 17717 16729 1 17 . 1 1 130 130 ARG HA H 130 4.274 4.274 4.538 -0.264 17717 16730 1 17 . 1 1 130 130 ARG CA C 130 55.300 55.300 55.857 -0.557 17717 16731 1 17 . 1 1 130 130 ARG CB C 130 31.600 31.600 30.956 0.644 17717 16732 1 17 . 1 1 130 130 ARG H H 130 8.150 8.150 7.663 0.487 17717 16733 1 17 . 1 1 131 131 GLN N N 131 117.960 117.960 116.292 1.668 17717 16734 1 17 . 1 1 131 131 GLN HA H 131 4.350 4.350 4.437 -0.087 17717 16735 1 17 . 1 1 131 131 GLN CA C 131 56.066 56.066 56.225 -0.159 17717 16736 1 17 . 1 1 131 131 GLN CB C 131 29.000 29.000 30.410 -1.410 17717 16737 1 17 . 1 1 131 131 GLN H H 131 7.880 7.880 7.643 0.237 17717 16738 1 17 . 1 1 132 132 LYS N N 132 121.357 121.357 117.859 3.498 17717 16739 1 17 . 1 1 132 132 LYS HA H 132 4.136 4.136 3.992 0.144 17717 16740 1 17 . 1 1 132 132 LYS CA C 132 56.800 56.800 59.112 -2.312 17717 16741 1 17 . 1 1 132 132 LYS CB C 132 31.100 31.100 31.416 -0.316 17717 16742 1 17 . 1 1 132 132 LYS H H 132 7.892 7.892 7.960 -0.068 17717 16743 1 17 . 1 1 133 133 LEU N N 133 120.620 120.620 117.258 3.362 17717 16744 1 17 . 1 1 133 133 LEU HA H 133 4.480 4.480 4.506 -0.026 17717 16745 1 17 . 1 1 133 133 LEU CA C 133 53.900 53.900 55.559 -1.659 17717 16746 1 17 . 1 1 133 133 LEU CB C 133 41.230 41.230 43.945 -2.715 17717 16747 1 17 . 1 1 133 133 LEU H H 133 8.320 8.320 8.205 0.115 17717 16748 1 17 . 1 1 134 134 GLN N N 134 121.147 121.147 119.503 1.644 17717 16749 1 17 . 1 1 134 134 GLN HA H 134 4.222 4.222 4.363 -0.141 17717 16750 1 17 . 1 1 134 134 GLN CA C 134 56.146 56.146 55.226 0.920 17717 16751 1 17 . 1 1 134 134 GLN CB C 134 31.813 31.813 28.303 3.510 17717 16752 1 17 . 1 1 134 134 GLN H H 134 7.870 7.870 7.945 -0.075 17717 16753 1 17 . 1 1 135 135 GLU N N 135 121.678 121.678 123.134 -1.456 17717 16754 1 17 . 1 1 135 135 GLU HA H 135 4.136 4.136 4.397 -0.261 17717 16755 1 17 . 1 1 135 135 GLU CA C 135 55.904 55.904 55.332 0.572 17717 16756 1 17 . 1 1 135 135 GLU CB C 135 28.953 28.953 30.369 -1.416 17717 16757 1 17 . 1 1 135 135 GLU H H 135 7.892 7.892 8.196 -0.304 17717 16758 1 17 . 1 1 136 136 LEU N N 136 121.357 121.357 117.784 3.573 17717 16759 1 17 . 1 1 136 136 LEU HA H 136 4.351 4.351 3.958 0.393 17717 16760 1 17 . 1 1 136 136 LEU CA C 136 54.765 54.765 55.462 -0.697 17717 16761 1 17 . 1 1 136 136 LEU CB C 136 41.823 41.823 42.297 -0.474 17717 16762 1 17 . 1 1 136 136 LEU H H 136 7.962 7.962 8.308 -0.346 17717 16763 1 17 . 1 1 137 137 GLN N N 137 124.866 124.866 119.461 5.405 17717 16764 1 17 . 1 1 137 137 GLN HA H 137 4.222 4.222 4.572 -0.350 17717 16765 1 17 . 1 1 137 137 GLN CA C 137 56.300 56.300 55.149 1.151 17717 16766 1 17 . 1 1 137 137 GLN CB C 137 28.000 28.000 29.702 -1.702 17717 16767 1 17 . 1 1 137 137 GLN H H 137 7.938 7.938 8.412 -0.474 17717 16768 1 17 . 1 1 138 138 GLY N N 138 111.054 111.054 111.432 -0.378 17717 16769 1 17 . 1 1 138 138 GLY CA C 138 44.800 44.800 46.062 -1.262 17717 16770 1 17 . 1 1 138 138 GLY H H 138 8.410 8.410 8.622 -0.212 17717 16771 1 17 . 1 1 139 139 ARG N N 139 116.366 116.366 119.862 -3.496 17717 16772 1 17 . 1 1 139 139 ARG HA H 139 4.230 4.230 4.325 -0.095 17717 16773 1 17 . 1 1 139 139 ARG CA C 139 56.300 56.300 56.343 -0.043 17717 16774 1 17 . 1 1 139 139 ARG CB C 139 28.700 28.700 30.428 -1.728 17717 16775 1 17 . 1 1 139 139 ARG H H 139 8.080 8.080 7.989 0.091 17717 16776 1 17 . 1 1 140 140 LEU N N 140 126.460 126.460 117.642 8.818 17717 16777 1 17 . 1 1 140 140 LEU HA H 140 4.220 4.220 4.002 0.218 17717 16778 1 17 . 1 1 140 140 LEU CA C 140 56.500 56.500 55.011 1.489 17717 16779 1 17 . 1 1 140 140 LEU CB C 140 41.496 41.496 41.047 0.449 17717 16780 1 17 . 1 1 140 140 LEU H H 140 7.740 7.740 8.070 -0.330 17717 16781 1 17 . 1 1 141 141 SER N N 141 119.190 119.190 114.053 5.137 17717 16782 1 17 . 1 1 141 141 SER HA H 141 4.390 4.390 4.366 0.024 17717 16783 1 17 . 1 1 141 141 SER CA C 141 56.384 56.384 58.644 -2.260 17717 16784 1 17 . 1 1 141 141 SER CB C 141 62.996 62.996 63.565 -0.569 17717 16785 1 17 . 1 1 141 141 SER H H 141 8.430 8.430 7.793 0.637 17717 16786 1 17 . 1 1 142 142 PRO CA C 142 64.840 64.840 64.809 0.031 17717 16787 1 17 . 1 1 142 142 PRO CB C 142 31.345 31.345 31.547 -0.202 17717 16788 1 17 . 1 1 143 143 VAL N N 143 116.900 116.900 115.746 1.154 17717 16789 1 17 . 1 1 143 143 VAL HA H 143 4.100 4.100 4.113 -0.013 17717 16790 1 17 . 1 1 143 143 VAL CA C 143 63.800 63.800 63.848 -0.048 17717 16791 1 17 . 1 1 143 143 VAL CB C 143 31.400 31.400 30.597 0.803 17717 16792 1 17 . 1 1 143 143 VAL H H 143 7.780 7.780 7.783 -0.003 17717 16793 1 17 . 1 1 144 144 ALA N N 144 125.700 125.700 122.913 2.787 17717 16794 1 17 . 1 1 144 144 ALA HA H 144 4.390 4.390 3.981 0.409 17717 16795 1 17 . 1 1 144 144 ALA CA C 144 54.200 54.200 55.313 -1.113 17717 16796 1 17 . 1 1 144 144 ALA CB C 144 18.361 18.361 18.410 -0.049 17717 16797 1 17 . 1 1 144 144 ALA H H 144 7.970 7.970 7.608 0.362 17717 16798 1 17 . 1 1 145 145 GLU N N 145 120.000 120.000 118.819 1.181 17717 16799 1 17 . 1 1 145 145 GLU HA H 145 3.920 3.920 3.981 -0.061 17717 16800 1 17 . 1 1 145 145 GLU CA C 145 59.400 59.400 59.645 -0.245 17717 16801 1 17 . 1 1 145 145 GLU CB C 145 28.400 28.400 28.780 -0.380 17717 16802 1 17 . 1 1 145 145 GLU H H 145 8.600 8.600 7.982 0.618 17717 16803 1 17 . 1 1 146 146 GLU N N 146 119.022 119.022 119.146 -0.124 17717 16804 1 17 . 1 1 146 146 GLU HA H 146 4.050 4.050 4.064 -0.014 17717 16805 1 17 . 1 1 146 146 GLU CA C 146 58.422 58.422 58.553 -0.131 17717 16806 1 17 . 1 1 146 146 GLU CB C 146 28.172 28.172 28.769 -0.597 17717 16807 1 17 . 1 1 146 146 GLU H H 146 8.070 8.070 8.381 -0.311 17717 16808 1 17 . 1 1 147 147 PHE N N 147 117.023 117.023 120.002 -2.979 17717 16809 1 17 . 1 1 147 147 PHE HA H 147 4.523 4.523 4.249 0.274 17717 16810 1 17 . 1 1 147 147 PHE CA C 147 58.592 58.592 61.030 -2.438 17717 16811 1 17 . 1 1 147 147 PHE CB C 147 40.344 40.344 39.100 1.244 17717 16812 1 17 . 1 1 147 147 PHE H H 147 8.161 8.161 7.900 0.261 17717 16813 1 17 . 1 1 148 148 ARG N N 148 120.085 120.085 120.456 -0.371 17717 16814 1 17 . 1 1 148 148 ARG HA H 148 4.136 4.136 4.012 0.124 17717 16815 1 17 . 1 1 148 148 ARG CA C 148 57.700 57.700 59.812 -2.111 17717 16816 1 17 . 1 1 148 148 ARG CB C 148 30.400 30.400 29.960 0.440 17717 16817 1 17 . 1 1 148 148 ARG H H 148 8.325 8.325 8.262 0.063 17717 16818 1 17 . 1 1 149 149 ASP N N 149 118.530 118.530 119.234 -0.704 17717 16819 1 17 . 1 1 149 149 ASP HA H 149 4.310 4.310 4.444 -0.134 17717 16820 1 17 . 1 1 149 149 ASP CA C 149 54.600 54.600 57.373 -2.773 17717 16821 1 17 . 1 1 149 149 ASP CB C 149 41.000 41.000 41.074 -0.074 17717 16822 1 17 . 1 1 149 149 ASP H H 149 8.270 8.270 8.466 -0.196 17717 16823 1 17 . 1 1 150 150 ARG N N 150 126.460 126.460 119.505 6.955 17717 16824 1 17 . 1 1 150 150 ARG HA H 150 4.180 4.180 4.113 0.067 17717 16825 1 17 . 1 1 150 150 ARG CA C 150 56.850 56.850 58.424 -1.574 17717 16826 1 17 . 1 1 150 150 ARG CB C 150 30.451 30.451 29.999 0.452 17717 16827 1 17 . 1 1 150 150 ARG H H 150 7.860 7.860 8.332 -0.472 17717 16828 1 17 . 1 1 152 152 ARG CA C 152 55.764 55.764 59.886 -4.122 17717 16829 1 17 . 1 1 152 152 ARG CB C 152 30.014 30.014 30.077 -0.063 17717 16830 1 17 . 1 1 153 153 THR N N 153 115.832 115.832 115.379 0.453 17717 16831 1 17 . 1 1 153 153 THR HA H 153 4.350 4.350 4.009 0.341 17717 16832 1 17 . 1 1 153 153 THR CA C 153 61.200 61.200 67.004 -5.804 17717 16833 1 17 . 1 1 153 153 THR CB C 153 69.400 69.400 68.625 0.775 17717 16834 1 17 . 1 1 153 153 THR H H 153 8.170 8.170 7.830 0.340 17717 16835 1 17 . 1 1 154 154 HIS N N 154 129.120 129.120 122.573 6.547 17717 16836 1 17 . 1 1 154 154 HIS HA H 154 4.650 4.650 4.325 0.325 17717 16837 1 17 . 1 1 154 154 HIS CA C 154 56.800 56.800 58.900 -2.100 17717 16838 1 17 . 1 1 154 154 HIS CB C 154 30.400 30.400 29.468 0.932 17717 16839 1 17 . 1 1 154 154 HIS H H 154 7.950 7.950 8.001 -0.051 17717 16840 1 17 . 1 1 155 155 VAL N N 155 120.620 120.620 118.188 2.432 17717 16841 1 17 . 1 1 155 155 VAL HA H 155 4.012 4.012 3.286 0.726 17717 16842 1 17 . 1 1 155 155 VAL CA C 155 62.300 62.300 66.216 -3.916 17717 16843 1 17 . 1 1 155 155 VAL CB C 155 31.600 31.600 30.705 0.895 17717 16844 1 17 . 1 1 155 155 VAL H H 155 7.910 7.910 7.243 0.667 17717 16845 1 17 . 1 1 156 156 ASP N N 156 121.147 121.147 121.385 -0.238 17717 16846 1 17 . 1 1 156 156 ASP HA H 156 4.440 4.440 4.223 0.217 17717 16847 1 17 . 1 1 156 156 ASP CA C 156 57.384 57.384 57.786 -0.402 17717 16848 1 17 . 1 1 156 156 ASP CB C 156 40.140 40.140 40.928 -0.788 17717 16849 1 17 . 1 1 156 156 ASP H H 156 8.100 8.100 8.668 -0.568 17717 16850 1 17 . 1 1 157 157 SER N N 157 116.366 116.366 115.628 0.738 17717 16851 1 17 . 1 1 157 157 SER HA H 157 4.220 4.220 4.198 0.022 17717 16852 1 17 . 1 1 157 157 SER CA C 157 61.500 61.500 61.655 -0.155 17717 16853 1 17 . 1 1 157 157 SER CB C 157 62.500 62.500 63.195 -0.695 17717 16854 1 17 . 1 1 157 157 SER H H 157 8.700 8.700 7.735 0.965 17717 16855 1 17 . 1 1 158 158 LEU N N 158 123.272 123.272 124.188 -0.916 17717 16856 1 17 . 1 1 158 158 LEU HA H 158 4.520 4.520 4.414 0.106 17717 16857 1 17 . 1 1 158 158 LEU CA C 158 57.140 57.140 57.992 -0.852 17717 16858 1 17 . 1 1 158 158 LEU CB C 158 40.900 40.900 42.019 -1.119 17717 16859 1 17 . 1 1 158 158 LEU H H 158 7.790 7.790 7.522 0.268 17717 16860 1 17 . 1 1 159 159 ARG N N 159 119.553 119.553 116.883 2.670 17717 16861 1 17 . 1 1 159 159 ARG HA H 159 4.530 4.530 4.116 0.414 17717 16862 1 17 . 1 1 159 159 ARG CA C 159 56.800 56.800 59.035 -2.235 17717 16863 1 17 . 1 1 159 159 ARG CB C 159 29.000 29.000 30.343 -1.343 17717 16864 1 17 . 1 1 159 159 ARG H H 159 8.650 8.650 8.483 0.167 17717 16865 1 17 . 1 1 160 160 THR N N 160 115.304 115.304 115.830 -0.526 17717 16866 1 17 . 1 1 160 160 THR HA H 160 3.880 3.880 4.049 -0.169 17717 16867 1 17 . 1 1 160 160 THR CA C 160 65.300 65.300 66.559 -1.259 17717 16868 1 17 . 1 1 160 160 THR CB C 160 68.900 68.900 68.588 0.312 17717 16869 1 17 . 1 1 160 160 THR H H 160 8.100 8.100 8.204 -0.104 17717 16870 1 17 . 1 1 161 161 GLN N N 161 122.440 122.440 118.178 4.262 17717 16871 1 17 . 1 1 161 161 GLN HA H 161 4.220 4.220 4.364 -0.144 17717 16872 1 17 . 1 1 161 161 GLN CA C 161 56.900 56.900 58.285 -1.385 17717 16873 1 17 . 1 1 161 161 GLN CB C 161 26.160 26.160 29.139 -2.979 17717 16874 1 17 . 1 1 161 161 GLN H H 161 8.070 8.070 7.854 0.216 17717 16875 1 17 . 1 1 162 162 LEU N N 162 115.398 115.398 121.485 -6.087 17717 16876 1 17 . 1 1 162 162 LEU HA H 162 4.220 4.220 4.542 -0.322 17717 16877 1 17 . 1 1 162 162 LEU CA C 162 56.500 56.500 55.820 0.680 17717 16878 1 17 . 1 1 162 162 LEU CB C 162 41.000 41.000 41.041 -0.041 17717 16879 1 17 . 1 1 162 162 LEU H H 162 7.980 7.980 7.728 0.252 17717 16880 1 17 . 1 1 163 163 ALA N N 163 122.210 122.210 123.359 -1.149 17717 16881 1 17 . 1 1 163 163 ALA HA H 163 4.260 4.260 4.138 0.122 17717 16882 1 17 . 1 1 163 163 ALA CA C 163 56.560 56.560 56.808 -0.248 17717 16883 1 17 . 1 1 163 163 ALA CB C 163 15.000 15.000 16.265 -1.265 17717 16884 1 17 . 1 1 163 163 ALA H H 163 7.460 7.460 8.295 -0.835 17717 16885 1 17 . 1 1 164 164 PRO CA C 164 62.800 62.800 65.522 -2.722 17717 16886 1 17 . 1 1 164 164 PRO CB C 164 31.500 31.500 31.358 0.142 17717 16887 1 17 . 1 1 165 165 HIS N N 165 120.080 120.080 117.695 2.385 17717 16888 1 17 . 1 1 165 165 HIS HA H 165 4.390 4.390 4.344 0.046 17717 16889 1 17 . 1 1 165 165 HIS CA C 165 56.000 56.000 59.910 -3.910 17717 16890 1 17 . 1 1 165 165 HIS CB C 165 28.400 28.400 29.542 -1.142 17717 16891 1 17 . 1 1 165 165 HIS H H 165 8.060 8.060 7.795 0.265 17717 16892 1 17 . 1 1 166 166 SER N N 166 116.366 116.366 114.587 1.779 17717 16893 1 17 . 1 1 166 166 SER HA H 166 4.300 4.300 4.049 0.251 17717 16894 1 17 . 1 1 166 166 SER CA C 166 61.200 61.200 61.363 -0.163 17717 16895 1 17 . 1 1 166 166 SER CB C 166 63.000 63.000 62.977 0.023 17717 16896 1 17 . 1 1 166 166 SER H H 166 8.040 8.040 8.330 -0.290 17717 16897 1 17 . 1 1 167 167 GLU N N 167 121.678 121.678 121.239 0.439 17717 16898 1 17 . 1 1 167 167 GLU HA H 167 3.922 3.922 4.092 -0.170 17717 16899 1 17 . 1 1 167 167 GLU CA C 167 62.800 62.800 59.394 3.406 17717 16900 1 17 . 1 1 167 167 GLU CB C 167 31.100 31.100 29.430 1.670 17717 16901 1 17 . 1 1 167 167 GLU H H 167 7.760 7.760 7.635 0.125 17717 16902 1 17 . 1 1 168 168 GLN N N 168 121.147 121.147 119.812 1.335 17717 16903 1 17 . 1 1 168 168 GLN HA H 168 4.320 4.320 4.095 0.225 17717 16904 1 17 . 1 1 168 168 GLN CA C 168 55.300 55.300 59.218 -3.918 17717 16905 1 17 . 1 1 168 168 GLN CB C 168 28.200 28.200 29.093 -0.893 17717 16906 1 17 . 1 1 168 168 GLN H H 168 8.450 8.450 8.444 0.006 17717 16907 1 17 . 1 1 170 170 ARG CA C 170 58.370 58.370 59.320 -0.950 17717 16908 1 17 . 1 1 170 170 ARG CB C 170 28.900 28.900 30.090 -1.190 17717 16909 1 17 . 1 1 171 171 GLU N N 171 117.960 117.960 119.998 -2.038 17717 16910 1 17 . 1 1 171 171 GLU HA H 171 4.140 4.140 4.204 -0.064 17717 16911 1 17 . 1 1 171 171 GLU CA C 171 57.300 57.300 59.397 -2.097 17717 16912 1 17 . 1 1 171 171 GLU CB C 171 29.200 29.200 29.560 -0.360 17717 16913 1 17 . 1 1 171 171 GLU H H 171 7.730 7.730 7.932 -0.202 17717 16914 1 17 . 1 1 172 172 SER N N 172 116.366 116.366 117.489 -1.123 17717 16915 1 17 . 1 1 172 172 SER HA H 172 4.270 4.270 4.176 0.094 17717 16916 1 17 . 1 1 172 172 SER CA C 172 58.000 58.000 62.442 -4.442 17717 16917 1 17 . 1 1 172 172 SER CB C 172 63.000 63.000 63.076 -0.076 17717 16918 1 17 . 1 1 172 172 SER H H 172 8.320 8.320 8.768 -0.448 17717 16919 1 17 . 1 1 173 173 LEU N N 173 124.866 124.866 120.895 3.971 17717 16920 1 17 . 1 1 173 173 LEU HA H 173 4.352 4.352 4.074 0.278 17717 16921 1 17 . 1 1 173 173 LEU CA C 173 54.540 54.540 57.800 -3.260 17717 16922 1 17 . 1 1 173 173 LEU CB C 173 41.400 41.400 41.544 -0.144 17717 16923 1 17 . 1 1 173 173 LEU H H 173 8.260 8.260 7.823 0.437 17717 16924 1 17 . 1 1 174 174 ALA N N 174 126.460 126.460 121.234 5.226 17717 16925 1 17 . 1 1 174 174 ALA HA H 174 4.270 4.270 3.803 0.467 17717 16926 1 17 . 1 1 174 174 ALA CA C 174 55.400 55.400 54.726 0.674 17717 16927 1 17 . 1 1 174 174 ALA CB C 174 17.200 17.200 18.047 -0.847 17717 16928 1 17 . 1 1 174 174 ALA H H 174 8.210 8.210 7.420 0.790 17717 16929 1 17 . 1 1 175 175 GLN N N 175 117.430 117.430 118.399 -0.969 17717 16930 1 17 . 1 1 175 175 GLN HA H 175 4.060 4.060 3.989 0.071 17717 16931 1 17 . 1 1 175 175 GLN CA C 175 58.600 58.600 58.271 0.329 17717 16932 1 17 . 1 1 175 175 GLN CB C 175 27.400 27.400 28.652 -1.252 17717 16933 1 17 . 1 1 175 175 GLN H H 175 8.450 8.450 7.937 0.513 17717 16934 1 17 . 1 1 176 176 ARG N N 176 119.550 119.550 121.481 -1.931 17717 16935 1 17 . 1 1 176 176 ARG HA H 176 4.180 4.180 3.868 0.312 17717 16936 1 17 . 1 1 176 176 ARG CA C 176 56.900 56.900 60.015 -3.115 17717 16937 1 17 . 1 1 176 176 ARG CB C 176 29.300 29.300 30.217 -0.917 17717 16938 1 17 . 1 1 176 176 ARG H H 176 8.070 8.070 8.326 -0.256 17717 16939 1 17 . 1 1 177 177 LEU N N 177 115.840 115.840 116.424 -0.584 17717 16940 1 17 . 1 1 177 177 LEU HA H 177 4.180 4.180 3.894 0.286 17717 16941 1 17 . 1 1 177 177 LEU CA C 177 56.900 56.900 57.935 -1.036 17717 16942 1 17 . 1 1 177 177 LEU CB C 177 40.100 40.100 40.911 -0.811 17717 16943 1 17 . 1 1 177 177 LEU H H 177 8.330 8.330 7.450 0.880 17717 16944 1 17 . 1 1 178 178 ALA N N 178 121.220 121.220 121.390 -0.170 17717 16945 1 17 . 1 1 178 178 ALA HA H 178 3.880 3.880 3.940 -0.060 17717 16946 1 17 . 1 1 178 178 ALA CA C 178 54.600 54.600 54.743 -0.143 17717 16947 1 17 . 1 1 178 178 ALA CB C 178 16.900 16.900 18.016 -1.116 17717 16948 1 17 . 1 1 178 178 ALA H H 178 8.570 8.570 7.519 1.051 17717 16949 1 17 . 1 1 179 179 GLU N N 179 118.490 118.490 120.140 -1.650 17717 16950 1 17 . 1 1 179 179 GLU HA H 179 4.180 4.180 4.098 0.082 17717 16951 1 17 . 1 1 179 179 GLU CA C 179 56.600 56.600 58.956 -2.356 17717 16952 1 17 . 1 1 179 179 GLU CB C 179 29.000 29.000 29.808 -0.808 17717 16953 1 17 . 1 1 179 179 GLU H H 179 7.680 7.680 8.085 -0.405 17717 16954 1 17 . 1 1 180 180 LEU N N 180 117.730 117.730 118.302 -0.572 17717 16955 1 17 . 1 1 180 180 LEU HA H 180 4.265 4.265 4.105 0.160 17717 16956 1 17 . 1 1 180 180 LEU CA C 180 55.020 55.020 57.379 -2.359 17717 16957 1 17 . 1 1 180 180 LEU CB C 180 41.100 41.100 41.688 -0.588 17717 16958 1 17 . 1 1 180 180 LEU H H 180 7.680 7.680 7.636 0.044 17717 16959 1 17 . 1 1 181 181 LYS N N 181 117.400 117.400 119.747 -2.347 17717 16960 1 17 . 1 1 181 181 LYS HA H 181 4.480 4.480 3.921 0.559 17717 16961 1 17 . 1 1 181 181 LYS CA C 181 61.900 61.900 58.528 3.372 17717 16962 1 17 . 1 1 181 181 LYS CB C 181 31.800 31.800 32.769 -0.969 17717 16963 1 17 . 1 1 181 181 LYS H H 181 7.510 7.510 7.922 -0.412 17717 16964 1 17 . 1 1 182 182 SER N N 182 114.010 114.010 113.319 0.691 17717 16965 1 17 . 1 1 182 182 SER HA H 182 4.350 4.350 4.214 0.136 17717 16966 1 17 . 1 1 182 182 SER CA C 182 58.000 58.000 59.053 -1.054 17717 16967 1 17 . 1 1 182 182 SER CB C 182 63.300 63.300 64.178 -0.878 17717 16968 1 17 . 1 1 182 182 SER H H 182 7.920 7.920 7.692 0.228 17717 16969 1 17 . 1 1 183 183 ASN N N 183 123.040 123.040 120.318 2.722 17717 16970 1 17 . 1 1 183 183 ASN HA H 183 4.310 4.310 4.650 -0.340 17717 16971 1 17 . 1 1 183 183 ASN CA C 183 55.115 55.115 52.904 2.211 17717 16972 1 17 . 1 1 183 183 ASN CB C 183 37.838 37.838 38.289 -0.451 17717 16973 1 17 . 1 1 183 183 ASN H H 183 8.250 8.250 7.748 0.502 17717 16974 1 17 . 1 1 184 184 PRO CA C 184 63.180 63.180 64.467 -1.287 17717 16975 1 17 . 1 1 184 184 PRO CB C 184 31.400 31.400 32.370 -0.970 17717 16976 1 17 . 1 1 185 185 THR N N 185 114.240 114.240 109.960 4.280 17717 16977 1 17 . 1 1 185 185 THR HA H 185 4.270 4.270 4.511 -0.241 17717 16978 1 17 . 1 1 185 185 THR CA C 185 61.200 61.200 61.250 -0.050 17717 16979 1 17 . 1 1 185 185 THR CB C 185 69.100 69.100 70.951 -1.851 17717 16980 1 17 . 1 1 185 185 THR H H 185 8.150 8.150 7.659 0.491 17717 16981 1 17 . 1 1 186 186 LEU N N 186 123.270 123.270 117.959 5.311 17717 16982 1 17 . 1 1 186 186 LEU HA H 186 4.350 4.350 4.679 -0.329 17717 16983 1 17 . 1 1 186 186 LEU CA C 186 55.000 55.000 54.727 0.273 17717 16984 1 17 . 1 1 186 186 LEU CB C 186 41.000 41.000 44.633 -3.633 17717 16985 1 17 . 1 1 186 186 LEU H H 186 8.430 8.430 8.014 0.416 17717 16986 1 17 . 1 1 187 187 ASN N N 187 119.020 119.020 120.033 -1.013 17717 16987 1 17 . 1 1 187 187 ASN HA H 187 4.530 4.530 4.970 -0.440 17717 16988 1 17 . 1 1 187 187 ASN CA C 187 53.400 53.400 52.456 0.944 17717 16989 1 17 . 1 1 187 187 ASN CB C 187 37.900 37.900 40.206 -2.306 17717 16990 1 17 . 1 1 187 187 ASN H H 187 8.370 8.370 8.529 -0.159 17717 16991 1 17 . 1 1 188 188 GLU N N 188 123.270 123.270 122.282 0.988 17717 16992 1 17 . 1 1 188 188 GLU HA H 188 4.000 4.000 4.532 -0.532 17717 16993 1 17 . 1 1 188 188 GLU CA C 188 61.700 61.700 56.468 5.232 17717 16994 1 17 . 1 1 188 188 GLU CB C 188 32.100 32.100 30.355 1.745 17717 16995 1 17 . 1 1 188 188 GLU H H 188 7.870 7.870 8.759 -0.889 17717 16996 1 17 . 1 1 189 189 TYR N N 189 122.210 122.210 124.438 -2.228 17717 16997 1 17 . 1 1 189 189 TYR HA H 189 4.440 4.440 4.696 -0.256 17717 16998 1 17 . 1 1 189 189 TYR CA C 189 57.120 57.120 58.044 -0.924 17717 16999 1 17 . 1 1 189 189 TYR CB C 189 40.000 40.000 39.087 0.913 17717 17000 1 17 . 1 1 189 189 TYR H H 189 8.590 8.590 8.671 -0.081 17717 17001 1 17 . 1 1 190 190 HIS N N 190 124.866 124.866 119.330 5.536 17717 17002 1 17 . 1 1 190 190 HIS HA H 190 4.780 4.780 4.219 0.561 17717 17003 1 17 . 1 1 190 190 HIS CA C 190 56.000 56.000 57.088 -1.088 17717 17004 1 17 . 1 1 190 190 HIS CB C 190 29.400 29.400 29.517 -0.117 17717 17005 1 17 . 1 1 190 190 HIS H H 190 8.420 8.420 8.921 -0.501 17717 17006 1 17 . 1 1 191 191 SER N N 191 117.429 117.429 111.478 5.951 17717 17007 1 17 . 1 1 191 191 SER HA H 191 4.140 4.140 4.112 0.028 17717 17008 1 17 . 1 1 191 191 SER CA C 191 58.140 58.140 59.267 -1.127 17717 17009 1 17 . 1 1 191 191 SER CB C 191 63.140 63.140 62.310 0.830 17717 17010 1 17 . 1 1 191 191 SER H H 191 8.270 8.270 8.617 -0.347 17717 17011 1 17 . 1 1 192 192 SER N N 192 124.335 124.335 114.949 9.386 17717 17012 1 17 . 1 1 192 192 SER HA H 192 4.730 4.730 4.384 0.346 17717 17013 1 17 . 1 1 192 192 SER CA C 192 59.020 59.020 59.182 -0.162 17717 17014 1 17 . 1 1 192 192 SER CB C 192 63.000 63.000 63.742 -0.742 17717 17015 1 17 . 1 1 192 192 SER H H 192 8.010 8.010 7.783 0.227 17717 17016 1 17 . 1 1 193 193 ALA N N 193 125.930 125.930 127.966 -2.036 17717 17017 1 17 . 1 1 193 193 ALA HA H 193 4.310 4.310 4.334 -0.024 17717 17018 1 17 . 1 1 193 193 ALA CA C 193 52.300 52.300 51.699 0.601 17717 17019 1 17 . 1 1 193 193 ALA CB C 193 18.000 18.000 18.412 -0.412 17717 17020 1 17 . 1 1 193 193 ALA H H 193 8.100 8.100 8.225 -0.125 17717 17021 1 17 . 1 1 194 194 LYS N N 194 126.460 126.460 119.610 6.850 17717 17022 1 17 . 1 1 194 194 LYS HA H 194 4.220 4.220 3.963 0.257 17717 17023 1 17 . 1 1 194 194 LYS CA C 194 56.600 56.600 56.602 -0.002 17717 17024 1 17 . 1 1 194 194 LYS CB C 194 33.000 33.000 32.985 0.015 17717 17025 1 17 . 1 1 194 194 LYS H H 194 7.860 7.860 8.184 -0.324 17717 17026 1 17 . 1 1 195 195 SER N N 195 117.429 117.429 111.001 6.428 17717 17027 1 17 . 1 1 195 195 SER HA H 195 4.430 4.430 4.171 0.259 17717 17028 1 17 . 1 1 195 195 SER CA C 195 58.499 58.499 59.640 -1.141 17717 17029 1 17 . 1 1 195 195 SER CB C 195 63.129 63.129 62.112 1.017 17717 17030 1 17 . 1 1 195 195 SER H H 195 8.240 8.240 8.494 -0.254 17717 17031 1 17 . 1 1 196 196 HIS N N 196 122.440 122.440 120.829 1.611 17717 17032 1 17 . 1 1 196 196 HIS HA H 196 4.222 4.222 4.276 -0.054 17717 17033 1 17 . 1 1 196 196 HIS CA C 196 55.743 55.743 58.754 -3.011 17717 17034 1 17 . 1 1 196 196 HIS CB C 196 28.566 28.566 29.819 -1.253 17717 17035 1 17 . 1 1 196 196 HIS H H 196 8.044 8.044 8.615 -0.571 17717 17036 1 17 . 1 1 197 197 LEU N N 197 117.429 117.429 115.766 1.663 17717 17037 1 17 . 1 1 197 197 LEU HA H 197 4.179 4.179 4.197 -0.018 17717 17038 1 17 . 1 1 197 197 LEU CA C 197 54.540 54.540 57.283 -2.743 17717 17039 1 17 . 1 1 197 197 LEU CB C 197 40.040 40.040 41.501 -1.461 17717 17040 1 17 . 1 1 197 197 LEU H H 197 8.044 8.044 8.026 0.018 17717 17041 1 17 . 1 1 198 198 LYS N N 198 117.430 117.430 120.791 -3.361 17717 17042 1 17 . 1 1 198 198 LYS HA H 198 4.140 4.140 4.078 0.062 17717 17043 1 17 . 1 1 198 198 LYS CA C 198 57.600 57.600 58.880 -1.280 17717 17044 1 17 . 1 1 198 198 LYS CB C 198 32.000 32.000 32.242 -0.242 17717 17045 1 17 . 1 1 198 198 LYS H H 198 7.510 7.510 7.581 -0.071 17717 17046 1 17 . 1 1 199 199 SER N N 199 114.315 114.315 115.884 -1.569 17717 17047 1 17 . 1 1 199 199 SER HA H 199 4.310 4.310 4.229 0.081 17717 17048 1 17 . 1 1 199 199 SER CA C 199 62.000 62.000 61.566 0.434 17717 17049 1 17 . 1 1 199 199 SER CB C 199 63.600 63.600 62.999 0.601 17717 17050 1 17 . 1 1 199 199 SER H H 199 7.930 7.930 8.087 -0.157 17717 17051 1 17 . 1 1 200 200 LEU N N 200 124.335 124.335 122.042 2.293 17717 17052 1 17 . 1 1 200 200 LEU HA H 200 4.260 4.260 4.240 0.020 17717 17053 1 17 . 1 1 200 200 LEU CA C 200 55.200 55.200 57.834 -2.634 17717 17054 1 17 . 1 1 200 200 LEU CB C 200 41.200 41.200 41.705 -0.505 17717 17055 1 17 . 1 1 200 200 LEU H H 200 8.170 8.170 7.461 0.709 17717 17056 1 17 . 1 1 201 201 GLY N N 201 109.990 109.990 106.133 3.857 17717 17057 1 17 . 1 1 201 201 GLY CA C 201 44.700 44.700 46.995 -2.295 17717 17058 1 17 . 1 1 201 201 GLY H H 201 8.290 8.290 7.659 0.631 17717 17059 1 17 . 1 1 202 202 GLU N N 202 126.460 126.460 119.723 6.737 17717 17060 1 17 . 1 1 202 202 GLU HA H 202 4.220 4.220 4.293 -0.073 17717 17061 1 17 . 1 1 202 202 GLU CA C 202 56.600 56.600 58.141 -1.541 17717 17062 1 17 . 1 1 202 202 GLU CB C 202 32.800 32.800 29.799 3.001 17717 17063 1 17 . 1 1 202 202 GLU H H 202 7.750 7.750 7.777 -0.027 17717 17064 1 17 . 1 1 203 203 LYS CA C 203 55.775 55.775 55.151 0.624 17717 17065 1 17 . 1 1 203 203 LYS CB C 203 32.283 32.283 32.984 -0.702 17717 17066 1 17 . 1 1 204 204 ALA N N 204 125.390 125.390 120.718 4.672 17717 17067 1 17 . 1 1 204 204 ALA HA H 204 4.310 4.310 4.572 -0.262 17717 17068 1 17 . 1 1 204 204 ALA CA C 204 52.000 52.000 50.644 1.356 17717 17069 1 17 . 1 1 204 204 ALA CB C 204 18.400 18.400 20.994 -2.594 17717 17070 1 17 . 1 1 204 204 ALA H H 204 8.180 8.180 7.159 1.021 17717 17071 1 17 . 1 1 205 205 ARG N N 205 121.150 121.150 119.039 2.111 17717 17072 1 17 . 1 1 205 205 ARG HA H 205 4.270 4.270 4.332 -0.062 17717 17073 1 17 . 1 1 205 205 ARG CA C 205 56.384 56.384 55.646 0.738 17717 17074 1 17 . 1 1 205 205 ARG CB C 205 29.193 29.193 30.018 -0.825 17717 17075 1 17 . 1 1 205 205 ARG H H 205 8.350 8.350 8.480 -0.130 17717 17076 1 17 . 1 1 206 206 PRO CA C 206 62.600 62.600 64.874 -2.274 17717 17077 1 17 . 1 1 206 206 PRO CB C 206 31.400 31.400 31.899 -0.499 17717 17078 1 17 . 1 1 207 207 ALA N N 207 125.400 125.400 118.516 6.884 17717 17079 1 17 . 1 1 207 207 ALA HA H 207 4.308 4.308 4.256 0.052 17717 17080 1 17 . 1 1 207 207 ALA CA C 207 51.700 51.700 53.768 -2.068 17717 17081 1 17 . 1 1 207 207 ALA CB C 207 18.200 18.200 18.437 -0.237 17717 17082 1 17 . 1 1 207 207 ALA H H 207 8.400 8.400 7.934 0.466 17717 17083 1 17 . 1 1 208 208 LEU N N 208 121.680 121.680 118.213 3.467 17717 17084 1 17 . 1 1 208 208 LEU HA H 208 4.480 4.480 4.282 0.198 17717 17085 1 17 . 1 1 208 208 LEU CA C 208 55.100 55.100 56.212 -1.113 17717 17086 1 17 . 1 1 208 208 LEU CB C 208 41.200 41.200 42.130 -0.930 17717 17087 1 17 . 1 1 208 208 LEU H H 208 8.180 8.180 7.621 0.559 17717 17088 1 17 . 1 1 209 209 GLU N N 209 121.147 121.147 120.140 1.007 17717 17089 1 17 . 1 1 209 209 GLU HA H 209 4.180 4.180 3.885 0.295 17717 17090 1 17 . 1 1 209 209 GLU CA C 209 56.477 56.477 59.874 -3.397 17717 17091 1 17 . 1 1 209 209 GLU CB C 209 29.250 29.250 29.004 0.246 17717 17092 1 17 . 1 1 209 209 GLU H H 209 8.380 8.380 7.802 0.578 17717 17093 1 17 . 1 1 210 210 ASP N N 210 121.147 121.147 119.634 1.513 17717 17094 1 17 . 1 1 210 210 ASP HA H 210 4.260 4.260 4.616 -0.356 17717 17095 1 17 . 1 1 210 210 ASP CA C 210 55.000 55.000 57.055 -2.055 17717 17096 1 17 . 1 1 210 210 ASP CB C 210 37.200 37.200 40.794 -3.595 17717 17097 1 17 . 1 1 210 210 ASP H H 210 8.280 8.280 8.274 0.006 17717 17098 1 17 . 1 1 211 211 LEU N N 211 122.210 122.210 118.978 3.232 17717 17099 1 17 . 1 1 211 211 LEU HA H 211 4.220 4.220 4.203 0.017 17717 17100 1 17 . 1 1 211 211 LEU CA C 211 57.400 57.400 56.644 0.756 17717 17101 1 17 . 1 1 211 211 LEU CB C 211 39.430 39.430 41.482 -2.052 17717 17102 1 17 . 1 1 211 211 LEU H H 211 8.640 8.640 7.546 1.094 17717 17103 1 17 . 1 1 212 212 ARG N N 212 119.550 119.550 120.266 -0.716 17717 17104 1 17 . 1 1 212 212 ARG HA H 212 4.220 4.220 3.940 0.280 17717 17105 1 17 . 1 1 212 212 ARG CA C 212 57.400 57.400 58.892 -1.492 17717 17106 1 17 . 1 1 212 212 ARG CB C 212 29.600 29.600 30.542 -0.942 17717 17107 1 17 . 1 1 212 212 ARG H H 212 7.910 7.910 7.980 -0.070 17717 17108 1 17 . 1 1 213 213 HIS CA C 213 56.200 56.200 56.451 -0.251 17717 17109 1 17 . 1 1 213 213 HIS CB C 213 31.900 31.900 30.377 1.523 17717 17110 1 17 . 1 1 214 214 SER N N 214 116.366 116.366 116.291 0.075 17717 17111 1 17 . 1 1 214 214 SER HA H 214 4.265 4.265 4.480 -0.215 17717 17112 1 17 . 1 1 214 214 SER CA C 214 61.100 61.100 57.358 3.742 17717 17113 1 17 . 1 1 214 214 SER CB C 214 63.100 63.100 62.594 0.506 17717 17114 1 17 . 1 1 214 214 SER H H 214 8.140 8.140 6.999 1.141 17717 17115 1 17 . 1 1 215 215 LEU N N 215 130.565 130.565 126.161 4.404 17717 17116 1 17 . 1 1 215 215 LEU HA H 215 4.730 4.730 4.455 0.275 17717 17117 1 17 . 1 1 215 215 LEU CA C 215 54.900 54.900 55.117 -0.216 17717 17118 1 17 . 1 1 215 215 LEU CB C 215 42.000 42.000 45.457 -3.457 17717 17119 1 17 . 1 1 215 215 LEU H H 215 7.890 7.890 8.073 -0.183 17717 17120 1 18 . 1 1 2 2 GLU N N 2 121.678 121.678 120.992 0.686 17717 17121 1 18 . 1 1 2 2 GLU HA H 2 4.488 4.488 4.722 -0.234 17717 17122 1 18 . 1 1 2 2 GLU CA C 2 56.418 56.418 55.803 0.614 17717 17123 1 18 . 1 1 2 2 GLU CB C 2 29.014 29.014 31.413 -2.399 17717 17124 1 18 . 1 1 2 2 GLU H H 2 8.276 8.276 8.510 -0.234 17717 17125 1 18 . 1 1 3 3 PRO CA C 3 62.923 62.923 63.595 -0.672 17717 17126 1 18 . 1 1 3 3 PRO CB C 3 31.547 31.547 32.286 -0.739 17717 17127 1 18 . 1 1 4 4 GLN N N 4 121.147 121.147 123.544 -2.397 17717 17128 1 18 . 1 1 4 4 GLN HA H 4 4.349 4.349 4.577 -0.228 17717 17129 1 18 . 1 1 4 4 GLN CA C 4 55.450 55.450 56.374 -0.924 17717 17130 1 18 . 1 1 4 4 GLN CB C 4 28.854 28.854 30.032 -1.178 17717 17131 1 18 . 1 1 4 4 GLN H H 4 8.500 8.500 8.618 -0.118 17717 17132 1 18 . 1 1 5 5 SER N N 5 117.429 117.429 113.124 4.305 17717 17133 1 18 . 1 1 5 5 SER HA H 5 4.329 4.329 2.836 1.493 17717 17134 1 18 . 1 1 5 5 SER CA C 5 58.100 58.100 58.543 -0.443 17717 17135 1 18 . 1 1 5 5 SER CB C 5 63.485 63.485 62.402 1.083 17717 17136 1 18 . 1 1 5 5 SER H H 5 8.370 8.370 7.886 0.484 17717 17137 1 18 . 1 1 6 6 GLN N N 6 123.803 123.803 119.882 3.921 17717 17138 1 18 . 1 1 6 6 GLN CA C 6 56.330 56.330 57.256 -0.926 17717 17139 1 18 . 1 1 6 6 GLN CB C 6 28.800 28.800 29.076 -0.276 17717 17140 1 18 . 1 1 6 6 GLN H H 6 8.620 8.620 7.808 0.812 17717 17141 1 18 . 1 1 7 7 TRP N N 7 119.022 119.022 119.916 -0.894 17717 17142 1 18 . 1 1 7 7 TRP HA H 7 4.394 4.394 4.671 -0.277 17717 17143 1 18 . 1 1 7 7 TRP CA C 7 59.800 59.800 58.783 1.017 17717 17144 1 18 . 1 1 7 7 TRP CB C 7 27.800 27.800 28.582 -0.782 17717 17145 1 18 . 1 1 7 7 TRP H H 7 7.970 7.970 6.975 0.995 17717 17146 1 18 . 1 1 8 8 ASP N N 8 121.678 121.678 120.336 1.342 17717 17147 1 18 . 1 1 8 8 ASP HA H 8 4.409 4.409 4.754 -0.345 17717 17148 1 18 . 1 1 8 8 ASP CA C 8 56.912 56.912 57.101 -0.189 17717 17149 1 18 . 1 1 8 8 ASP CB C 8 38.400 38.400 40.239 -1.839 17717 17150 1 18 . 1 1 8 8 ASP H H 8 8.440 8.440 8.615 -0.175 17717 17151 1 18 . 1 1 9 9 LYS N N 9 120.616 120.616 120.237 0.379 17717 17152 1 18 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.297 -0.207 17717 17153 1 18 . 1 1 9 9 LYS CA C 9 58.277 58.277 59.349 -1.072 17717 17154 1 18 . 1 1 9 9 LYS CB C 9 31.550 31.550 32.630 -1.080 17717 17155 1 18 . 1 1 9 9 LYS H H 9 7.830 7.830 7.592 0.238 17717 17156 1 18 . 1 1 10 10 VAL N N 10 118.491 118.491 114.707 3.784 17717 17157 1 18 . 1 1 10 10 VAL HA H 10 3.830 3.830 4.308 -0.478 17717 17158 1 18 . 1 1 10 10 VAL CA C 10 65.630 65.630 66.384 -0.754 17717 17159 1 18 . 1 1 10 10 VAL CB C 10 31.300 31.300 31.483 -0.183 17717 17160 1 18 . 1 1 10 10 VAL H H 10 7.160 7.160 7.553 -0.393 17717 17161 1 18 . 1 1 11 11 LYS N N 11 122.210 122.210 118.938 3.272 17717 17162 1 18 . 1 1 11 11 LYS HA H 11 3.880 3.880 3.927 -0.047 17717 17163 1 18 . 1 1 11 11 LYS CA C 11 59.460 59.460 59.265 0.195 17717 17164 1 18 . 1 1 11 11 LYS CB C 11 31.200 31.200 32.082 -0.882 17717 17165 1 18 . 1 1 11 11 LYS H H 11 8.660 8.660 7.668 0.992 17717 17166 1 18 . 1 1 12 12 ASP N N 12 119.553 119.553 120.938 -1.385 17717 17167 1 18 . 1 1 12 12 ASP HA H 12 4.140 4.140 4.511 -0.371 17717 17168 1 18 . 1 1 12 12 ASP CA C 12 57.381 57.381 57.299 0.082 17717 17169 1 18 . 1 1 12 12 ASP CB C 12 39.800 39.800 41.014 -1.214 17717 17170 1 18 . 1 1 12 12 ASP H H 12 7.790 7.790 7.603 0.187 17717 17171 1 18 . 1 1 13 13 PHE N N 13 116.500 116.500 118.908 -2.408 17717 17172 1 18 . 1 1 13 13 PHE HA H 13 4.690 4.690 4.254 0.436 17717 17173 1 18 . 1 1 13 13 PHE CA C 13 58.662 58.662 60.285 -1.623 17717 17174 1 18 . 1 1 13 13 PHE CB C 13 38.700 38.700 37.857 0.843 17717 17175 1 18 . 1 1 13 13 PHE H H 13 7.680 7.680 7.756 -0.076 17717 17176 1 18 . 1 1 14 14 ALA N N 14 122.209 122.209 122.571 -0.362 17717 17177 1 18 . 1 1 14 14 ALA HA H 14 4.008 4.008 3.659 0.349 17717 17178 1 18 . 1 1 14 14 ALA CA C 14 54.550 54.550 54.731 -0.181 17717 17179 1 18 . 1 1 14 14 ALA CB C 14 17.250 17.250 18.044 -0.794 17717 17180 1 18 . 1 1 14 14 ALA H H 14 8.760 8.760 7.254 1.506 17717 17181 1 18 . 1 1 15 15 ASN N N 15 119.553 119.553 115.053 4.500 17717 17182 1 18 . 1 1 15 15 ASN HA H 15 4.520 4.520 4.392 0.128 17717 17183 1 18 . 1 1 15 15 ASN CA C 15 56.084 56.084 55.271 0.813 17717 17184 1 18 . 1 1 15 15 ASN CB C 15 38.544 38.544 38.536 0.008 17717 17185 1 18 . 1 1 15 15 ASN H H 15 8.930 8.930 7.645 1.285 17717 17186 1 18 . 1 1 16 16 VAL N N 16 116.897 116.897 122.029 -5.132 17717 17187 1 18 . 1 1 16 16 VAL HA H 16 3.590 3.590 3.659 -0.069 17717 17188 1 18 . 1 1 16 16 VAL CA C 16 64.600 64.600 67.683 -3.083 17717 17189 1 18 . 1 1 16 16 VAL CB C 16 31.800 31.800 31.657 0.143 17717 17190 1 18 . 1 1 16 16 VAL H H 16 7.870 7.870 7.443 0.427 17717 17191 1 18 . 1 1 17 17 TYR N N 17 112.116 112.116 117.095 -4.979 17717 17192 1 18 . 1 1 17 17 TYR HA H 17 4.751 4.751 4.412 0.339 17717 17193 1 18 . 1 1 17 17 TYR CA C 17 59.040 59.040 60.411 -1.371 17717 17194 1 18 . 1 1 17 17 TYR CB C 17 39.060 39.060 37.048 2.012 17717 17195 1 18 . 1 1 17 17 TYR H H 17 8.000 8.000 8.205 -0.205 17717 17196 1 18 . 1 1 18 18 VAL N N 18 114.241 114.241 121.049 -6.808 17717 17197 1 18 . 1 1 18 18 VAL HA H 18 4.220 4.220 3.449 0.771 17717 17198 1 18 . 1 1 18 18 VAL CA C 18 63.520 63.520 66.219 -2.699 17717 17199 1 18 . 1 1 18 18 VAL CB C 18 31.128 31.128 31.351 -0.223 17717 17200 1 18 . 1 1 18 18 VAL H H 18 7.600 7.600 6.842 0.758 17717 17201 1 18 . 1 1 19 19 ASP N N 19 123.272 123.272 120.332 2.940 17717 17202 1 18 . 1 1 19 19 ASP HA H 19 4.523 4.523 4.277 0.246 17717 17203 1 18 . 1 1 19 19 ASP CA C 19 56.445 56.445 57.879 -1.434 17717 17204 1 18 . 1 1 19 19 ASP CB C 19 38.700 38.700 40.705 -2.005 17717 17205 1 18 . 1 1 19 19 ASP H H 19 8.890 8.890 8.182 0.708 17717 17206 1 18 . 1 1 20 20 ALA N N 20 118.491 118.491 122.230 -3.739 17717 17207 1 18 . 1 1 20 20 ALA HA H 20 4.230 4.230 4.139 0.091 17717 17208 1 18 . 1 1 20 20 ALA CA C 20 54.100 54.100 55.437 -1.337 17717 17209 1 18 . 1 1 20 20 ALA CB C 20 18.760 18.760 18.911 -0.151 17717 17210 1 18 . 1 1 20 20 ALA H H 20 6.630 6.630 7.654 -1.024 17717 17211 1 18 . 1 1 21 21 VAL N N 21 116.897 116.897 116.550 0.347 17717 17212 1 18 . 1 1 21 21 VAL HA H 21 3.664 3.664 3.820 -0.156 17717 17213 1 18 . 1 1 21 21 VAL CA C 21 66.200 66.200 65.793 0.407 17717 17214 1 18 . 1 1 21 21 VAL CB C 21 30.460 30.460 31.837 -1.377 17717 17215 1 18 . 1 1 21 21 VAL H H 21 7.410 7.410 7.679 -0.269 17717 17216 1 18 . 1 1 22 22 LYS N N 22 121.147 121.147 119.256 1.891 17717 17217 1 18 . 1 1 22 22 LYS HA H 22 4.222 4.222 4.035 0.187 17717 17218 1 18 . 1 1 22 22 LYS CA C 22 59.300 59.300 58.943 0.357 17717 17219 1 18 . 1 1 22 22 LYS CB C 22 31.100 31.100 31.545 -0.445 17717 17220 1 18 . 1 1 22 22 LYS H H 22 8.180 8.180 8.280 -0.100 17717 17221 1 18 . 1 1 23 23 ASP N N 23 121.278 121.278 119.272 2.006 17717 17222 1 18 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.422 0.144 17717 17223 1 18 . 1 1 23 23 ASP CA C 23 56.300 56.300 57.053 -0.753 17717 17224 1 18 . 1 1 23 23 ASP CB C 23 38.800 38.800 40.674 -1.874 17717 17225 1 18 . 1 1 23 23 ASP H H 23 8.860 8.860 7.852 1.008 17717 17226 1 18 . 1 1 24 24 SER N N 24 118.491 118.491 115.086 3.405 17717 17227 1 18 . 1 1 24 24 SER HA H 24 4.132 4.132 4.302 -0.170 17717 17228 1 18 . 1 1 24 24 SER CA C 24 61.600 61.600 61.146 0.454 17717 17229 1 18 . 1 1 24 24 SER CB C 24 62.442 62.442 62.345 0.097 17717 17230 1 18 . 1 1 24 24 SER H H 24 7.950 7.950 7.804 0.146 17717 17231 1 18 . 1 1 25 25 GLY N N 25 108.377 108.377 110.929 -2.552 17717 17232 1 18 . 1 1 25 25 GLY CA C 25 44.400 44.400 46.685 -2.285 17717 17233 1 18 . 1 1 25 25 GLY H H 25 7.560 7.560 7.653 -0.093 17717 17234 1 18 . 1 1 26 26 ARG N N 26 124.240 124.240 121.369 2.871 17717 17235 1 18 . 1 1 26 26 ARG HA H 26 4.303 4.303 4.104 0.199 17717 17236 1 18 . 1 1 26 26 ARG CA C 26 54.000 54.000 58.471 -4.471 17717 17237 1 18 . 1 1 26 26 ARG CB C 26 28.240 28.240 29.882 -1.642 17717 17238 1 18 . 1 1 26 26 ARG H H 26 8.200 8.200 7.815 0.385 17717 17239 1 18 . 1 1 27 27 ASP N N 27 121.678 121.678 117.749 3.929 17717 17240 1 18 . 1 1 27 27 ASP HA H 27 4.211 4.211 4.501 -0.290 17717 17241 1 18 . 1 1 27 27 ASP CA C 27 58.380 58.380 56.649 1.731 17717 17242 1 18 . 1 1 27 27 ASP CB C 27 40.400 40.400 41.412 -1.012 17717 17243 1 18 . 1 1 27 27 ASP H H 27 7.880 7.880 7.619 0.261 17717 17244 1 18 . 1 1 28 28 TYR N N 28 121.440 121.440 121.458 -0.018 17717 17245 1 18 . 1 1 28 28 TYR HA H 28 4.480 4.480 4.259 0.221 17717 17246 1 18 . 1 1 28 28 TYR CA C 28 57.800 57.800 60.291 -2.491 17717 17247 1 18 . 1 1 28 28 TYR CB C 28 38.322 38.322 38.682 -0.360 17717 17248 1 18 . 1 1 28 28 TYR H H 28 8.020 8.020 8.186 -0.166 17717 17249 1 18 . 1 1 29 29 VAL N N 29 123.272 123.272 118.628 4.644 17717 17250 1 18 . 1 1 29 29 VAL HA H 29 4.040 4.040 3.526 0.514 17717 17251 1 18 . 1 1 29 29 VAL CA C 29 66.400 66.400 64.905 1.495 17717 17252 1 18 . 1 1 29 29 VAL CB C 29 30.500 30.500 30.963 -0.463 17717 17253 1 18 . 1 1 29 29 VAL H H 29 8.280 8.280 8.401 -0.121 17717 17254 1 18 . 1 1 30 30 SER N N 30 117.429 117.429 115.971 1.458 17717 17255 1 18 . 1 1 30 30 SER HA H 30 4.000 4.000 4.108 -0.108 17717 17256 1 18 . 1 1 30 30 SER CA C 30 61.070 61.070 61.876 -0.806 17717 17257 1 18 . 1 1 30 30 SER CB C 30 62.000 62.000 62.685 -0.685 17717 17258 1 18 . 1 1 30 30 SER H H 30 8.930 8.930 7.682 1.248 17717 17259 1 18 . 1 1 31 31 GLN N N 31 121.147 121.147 121.341 -0.194 17717 17260 1 18 . 1 1 31 31 GLN HA H 31 4.136 4.136 4.073 0.063 17717 17261 1 18 . 1 1 31 31 GLN CA C 31 58.210 58.210 58.376 -0.166 17717 17262 1 18 . 1 1 31 31 GLN CB C 31 27.600 27.600 28.450 -0.849 17717 17263 1 18 . 1 1 31 31 GLN H H 31 7.740 7.740 7.386 0.354 17717 17264 1 18 . 1 1 32 32 PHE N N 32 117.429 117.429 120.074 -2.645 17717 17265 1 18 . 1 1 32 32 PHE HA H 32 4.020 4.020 3.966 0.054 17717 17266 1 18 . 1 1 32 32 PHE CA C 32 60.600 60.600 61.265 -0.665 17717 17267 1 18 . 1 1 32 32 PHE CB C 32 36.896 36.896 38.648 -1.752 17717 17268 1 18 . 1 1 32 32 PHE H H 32 7.200 7.200 7.669 -0.469 17717 17269 1 18 . 1 1 33 33 GLU N N 33 122.210 122.210 118.055 4.155 17717 17270 1 18 . 1 1 33 33 GLU HA H 33 4.769 4.769 3.564 1.205 17717 17271 1 18 . 1 1 33 33 GLU CA C 33 59.220 59.220 58.819 0.402 17717 17272 1 18 . 1 1 33 33 GLU CB C 33 29.240 29.240 28.997 0.243 17717 17273 1 18 . 1 1 33 33 GLU H H 33 8.160 8.160 7.678 0.482 17717 17274 1 18 . 1 1 34 34 SER N N 34 109.991 109.991 113.540 -3.549 17717 17275 1 18 . 1 1 34 34 SER HA H 34 4.309 4.309 4.260 0.049 17717 17276 1 18 . 1 1 34 34 SER CA C 34 58.240 58.240 60.446 -2.206 17717 17277 1 18 . 1 1 34 34 SER CB C 34 63.260 63.260 62.839 0.421 17717 17278 1 18 . 1 1 34 34 SER H H 34 7.890 7.890 7.419 0.471 17717 17279 1 18 . 1 1 35 35 SER N N 35 120.085 120.085 118.693 1.392 17717 17280 1 18 . 1 1 35 35 SER HA H 35 4.354 4.354 4.103 0.251 17717 17281 1 18 . 1 1 35 35 SER CA C 35 58.100 58.100 62.030 -3.930 17717 17282 1 18 . 1 1 35 35 SER CB C 35 64.398 64.398 62.933 1.465 17717 17283 1 18 . 1 1 35 35 SER H H 35 7.420 7.420 8.173 -0.753 17717 17284 1 18 . 1 1 36 36 SER N N 36 116.130 116.130 118.645 -2.515 17717 17285 1 18 . 1 1 36 36 SER HA H 36 4.350 4.350 4.116 0.234 17717 17286 1 18 . 1 1 36 36 SER CA C 36 58.600 58.600 61.922 -3.322 17717 17287 1 18 . 1 1 36 36 SER CB C 36 63.370 63.370 62.844 0.526 17717 17288 1 18 . 1 1 36 36 SER H H 36 8.100 8.100 7.544 0.556 17717 17289 1 18 . 1 1 37 37 LEU N N 37 121.678 121.678 121.561 0.117 17717 17290 1 18 . 1 1 37 37 LEU HA H 37 4.222 4.222 4.091 0.131 17717 17291 1 18 . 1 1 37 37 LEU CA C 37 56.400 56.400 57.051 -0.651 17717 17292 1 18 . 1 1 37 37 LEU CB C 37 41.200 41.200 41.814 -0.614 17717 17293 1 18 . 1 1 37 37 LEU H H 37 8.290 8.290 7.405 0.885 17717 17294 1 18 . 1 1 38 38 GLY N N 38 108.400 108.400 104.659 3.741 17717 17295 1 18 . 1 1 38 38 GLY CA C 38 46.220 46.220 46.504 -0.284 17717 17296 1 18 . 1 1 38 38 GLY H H 38 7.280 7.280 8.095 -0.815 17717 17297 1 18 . 1 1 39 39 GLN N N 39 120.920 120.920 122.475 -1.555 17717 17298 1 18 . 1 1 39 39 GLN HA H 39 4.092 4.092 4.038 0.054 17717 17299 1 18 . 1 1 39 39 GLN CA C 39 57.423 57.423 58.835 -1.412 17717 17300 1 18 . 1 1 39 39 GLN CB C 39 28.847 28.847 28.567 0.280 17717 17301 1 18 . 1 1 39 39 GLN H H 39 8.360 8.360 7.847 0.513 17717 17302 1 18 . 1 1 40 40 GLN N N 40 118.648 118.648 118.966 -0.318 17717 17303 1 18 . 1 1 40 40 GLN HA H 40 4.040 4.040 4.079 -0.039 17717 17304 1 18 . 1 1 40 40 GLN CA C 40 57.471 57.471 58.485 -1.014 17717 17305 1 18 . 1 1 40 40 GLN CB C 40 28.777 28.777 28.448 0.329 17717 17306 1 18 . 1 1 40 40 GLN H H 40 7.630 7.630 7.687 -0.057 17717 17307 1 18 . 1 1 41 41 LEU N N 41 116.800 116.800 121.870 -5.070 17717 17308 1 18 . 1 1 41 41 LEU HA H 41 4.222 4.222 3.954 0.268 17717 17309 1 18 . 1 1 41 41 LEU CA C 41 55.400 55.400 58.108 -2.708 17717 17310 1 18 . 1 1 41 41 LEU CB C 41 41.754 41.754 41.981 -0.227 17717 17311 1 18 . 1 1 41 41 LEU H H 41 8.010 8.010 7.872 0.138 17717 17312 1 18 . 1 1 42 42 ASN N N 42 115.840 115.840 117.359 -1.519 17717 17313 1 18 . 1 1 42 42 ASN HA H 42 4.485 4.485 4.332 0.153 17717 17314 1 18 . 1 1 42 42 ASN CA C 42 53.500 53.500 56.227 -2.727 17717 17315 1 18 . 1 1 42 42 ASN CB C 42 37.000 37.000 38.577 -1.577 17717 17316 1 18 . 1 1 42 42 ASN H H 42 7.840 7.840 7.813 0.027 17717 17317 1 18 . 1 1 43 43 LEU N N 43 118.490 118.490 120.362 -1.872 17717 17318 1 18 . 1 1 43 43 LEU HA H 43 4.480 4.480 3.891 0.589 17717 17319 1 18 . 1 1 43 43 LEU CA C 43 55.502 55.502 57.629 -2.127 17717 17320 1 18 . 1 1 43 43 LEU CB C 43 41.200 41.200 41.169 0.031 17717 17321 1 18 . 1 1 43 43 LEU H H 43 9.670 9.670 7.789 1.881 17717 17322 1 18 . 1 1 44 44 ASN N N 44 119.553 119.553 117.121 2.432 17717 17323 1 18 . 1 1 44 44 ASN HA H 44 4.520 4.520 4.436 0.084 17717 17324 1 18 . 1 1 44 44 ASN CA C 44 52.770 52.770 56.160 -3.390 17717 17325 1 18 . 1 1 44 44 ASN CB C 44 36.200 36.200 38.521 -2.321 17717 17326 1 18 . 1 1 44 44 ASN H H 44 8.950 8.950 7.926 1.024 17717 17327 1 18 . 1 1 45 45 LEU N N 45 119.553 119.553 118.236 1.317 17717 17328 1 18 . 1 1 45 45 LEU HA H 45 4.048 4.048 4.198 -0.150 17717 17329 1 18 . 1 1 45 45 LEU CA C 45 55.569 55.569 57.811 -2.242 17717 17330 1 18 . 1 1 45 45 LEU CB C 45 41.250 41.250 41.575 -0.325 17717 17331 1 18 . 1 1 45 45 LEU H H 45 8.970 8.970 7.635 1.335 17717 17332 1 18 . 1 1 46 46 LEU N N 46 116.900 116.900 119.606 -2.706 17717 17333 1 18 . 1 1 46 46 LEU HA H 46 4.351 4.351 4.139 0.212 17717 17334 1 18 . 1 1 46 46 LEU CA C 46 54.684 54.684 57.825 -3.141 17717 17335 1 18 . 1 1 46 46 LEU CB C 46 39.800 39.800 42.125 -2.325 17717 17336 1 18 . 1 1 46 46 LEU H H 46 8.450 8.450 7.227 1.223 17717 17337 1 18 . 1 1 47 47 GLU N N 47 122.741 122.741 119.348 3.393 17717 17338 1 18 . 1 1 47 47 GLU HA H 47 4.018 4.018 3.929 0.089 17717 17339 1 18 . 1 1 47 47 GLU CA C 47 58.280 58.280 59.847 -1.567 17717 17340 1 18 . 1 1 47 47 GLU CB C 47 28.800 28.800 29.171 -0.371 17717 17341 1 18 . 1 1 47 47 GLU H H 47 7.490 7.490 8.050 -0.560 17717 17342 1 18 . 1 1 48 48 ASN N N 48 117.200 117.200 117.663 -0.463 17717 17343 1 18 . 1 1 48 48 ASN HA H 48 4.300 4.300 4.473 -0.173 17717 17344 1 18 . 1 1 48 48 ASN CA C 48 53.550 53.550 56.065 -2.514 17717 17345 1 18 . 1 1 48 48 ASN CB C 48 38.490 38.490 38.454 0.036 17717 17346 1 18 . 1 1 48 48 ASN H H 48 8.450 8.450 8.527 -0.077 17717 17347 1 18 . 1 1 49 49 TRP N N 49 119.320 119.320 119.645 -0.325 17717 17348 1 18 . 1 1 49 49 TRP HA H 49 4.300 4.300 4.544 -0.244 17717 17349 1 18 . 1 1 49 49 TRP CA C 49 56.200 56.200 60.017 -3.817 17717 17350 1 18 . 1 1 49 49 TRP CB C 49 27.800 27.800 29.969 -2.169 17717 17351 1 18 . 1 1 49 49 TRP H H 49 8.050 8.050 7.508 0.542 17717 17352 1 18 . 1 1 50 50 ASP N N 50 124.860 124.860 118.641 6.219 17717 17353 1 18 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.485 0.205 17717 17354 1 18 . 1 1 50 50 ASP CA C 50 54.180 54.180 56.887 -2.707 17717 17355 1 18 . 1 1 50 50 ASP CB C 50 40.318 40.318 41.506 -1.188 17717 17356 1 18 . 1 1 50 50 ASP H H 50 8.470 8.470 7.982 0.488 17717 17357 1 18 . 1 1 51 51 THR N N 51 114.240 114.240 111.667 2.573 17717 17358 1 18 . 1 1 51 51 THR HA H 51 4.250 4.250 4.417 -0.167 17717 17359 1 18 . 1 1 51 51 THR CA C 51 61.800 61.800 61.968 -0.168 17717 17360 1 18 . 1 1 51 51 THR CB C 51 69.000 69.000 69.946 -0.946 17717 17361 1 18 . 1 1 51 51 THR H H 51 7.920 7.920 8.033 -0.113 17717 17362 1 18 . 1 1 52 52 LEU N N 52 124.335 124.335 123.012 1.323 17717 17363 1 18 . 1 1 52 52 LEU HA H 52 4.261 4.261 4.073 0.188 17717 17364 1 18 . 1 1 52 52 LEU CA C 52 54.800 54.800 56.099 -1.299 17717 17365 1 18 . 1 1 52 52 LEU CB C 52 41.200 41.200 41.812 -0.612 17717 17366 1 18 . 1 1 52 52 LEU H H 52 8.000 8.000 8.050 -0.050 17717 17367 1 18 . 1 1 53 53 GLY N N 53 109.991 109.991 110.321 -0.330 17717 17368 1 18 . 1 1 53 53 GLY CA C 53 44.700 44.700 44.379 0.321 17717 17369 1 18 . 1 1 53 53 GLY H H 53 8.450 8.450 8.305 0.145 17717 17370 1 18 . 1 1 54 54 SER N N 54 113.710 113.710 117.173 -3.463 17717 17371 1 18 . 1 1 54 54 SER HA H 54 4.480 4.480 4.540 -0.060 17717 17372 1 18 . 1 1 54 54 SER CA C 54 57.300 57.300 59.770 -2.470 17717 17373 1 18 . 1 1 54 54 SER CB C 54 63.100 63.100 63.927 -0.827 17717 17374 1 18 . 1 1 54 54 SER H H 54 8.060 8.060 8.212 -0.152 17717 17375 1 18 . 1 1 55 55 THR N N 55 116.897 116.897 113.928 2.969 17717 17376 1 18 . 1 1 55 55 THR HA H 55 4.044 4.044 4.452 -0.408 17717 17377 1 18 . 1 1 55 55 THR CA C 55 61.700 61.700 61.617 0.083 17717 17378 1 18 . 1 1 55 55 THR CB C 55 69.800 69.800 70.395 -0.595 17717 17379 1 18 . 1 1 55 55 THR H H 55 8.210 8.210 7.745 0.465 17717 17380 1 18 . 1 1 56 56 VAL N N 56 123.300 123.300 117.424 5.876 17717 17381 1 18 . 1 1 56 56 VAL HA H 56 3.793 3.793 4.548 -0.755 17717 17382 1 18 . 1 1 56 56 VAL CA C 56 66.384 66.384 60.791 5.593 17717 17383 1 18 . 1 1 56 56 VAL CB C 56 30.268 30.268 31.399 -1.131 17717 17384 1 18 . 1 1 56 56 VAL H H 56 8.280 8.280 8.286 -0.006 17717 17385 1 18 . 1 1 57 57 SER N N 57 117.429 117.429 116.986 0.443 17717 17386 1 18 . 1 1 57 57 SER HA H 57 4.136 4.136 4.222 -0.086 17717 17387 1 18 . 1 1 57 57 SER CA C 57 61.100 61.100 61.094 0.006 17717 17388 1 18 . 1 1 57 57 SER CB C 57 62.800 62.800 63.240 -0.440 17717 17389 1 18 . 1 1 57 57 SER H H 57 7.850 7.850 8.676 -0.826 17717 17390 1 18 . 1 1 58 58 GLN N N 58 128.580 128.580 114.515 14.065 17717 17391 1 18 . 1 1 58 58 GLN HA H 58 4.260 4.260 4.264 -0.004 17717 17392 1 18 . 1 1 58 58 GLN CA C 58 56.642 56.642 57.153 -0.511 17717 17393 1 18 . 1 1 58 58 GLN CB C 58 29.023 29.023 28.584 0.440 17717 17394 1 18 . 1 1 58 58 GLN H H 58 7.990 7.990 8.319 -0.329 17717 17395 1 18 . 1 1 59 59 LEU N N 59 122.210 122.210 119.663 2.547 17717 17396 1 18 . 1 1 59 59 LEU HA H 59 4.310 4.310 4.087 0.223 17717 17397 1 18 . 1 1 59 59 LEU CA C 59 55.300 55.300 59.319 -4.019 17717 17398 1 18 . 1 1 59 59 LEU CB C 59 41.160 41.160 41.045 0.115 17717 17399 1 18 . 1 1 59 59 LEU H H 59 8.050 8.050 8.440 -0.390 17717 17400 1 18 . 1 1 60 60 GLN N N 60 120.085 120.085 118.411 1.674 17717 17401 1 18 . 1 1 60 60 GLN HA H 60 4.222 4.222 4.095 0.127 17717 17402 1 18 . 1 1 60 60 GLN CA C 60 55.960 55.960 58.703 -2.743 17717 17403 1 18 . 1 1 60 60 GLN CB C 60 27.900 27.900 27.883 0.017 17717 17404 1 18 . 1 1 60 60 GLN H H 60 8.210 8.210 8.558 -0.348 17717 17405 1 18 . 1 1 61 61 GLU N N 61 120.920 120.920 119.067 1.853 17717 17406 1 18 . 1 1 61 61 GLU HA H 61 4.216 4.216 3.978 0.238 17717 17407 1 18 . 1 1 61 61 GLU CA C 61 56.900 56.900 59.300 -2.400 17717 17408 1 18 . 1 1 61 61 GLU CB C 61 28.500 28.500 29.389 -0.889 17717 17409 1 18 . 1 1 61 61 GLU H H 61 8.590 8.590 8.476 0.114 17717 17410 1 18 . 1 1 62 62 ARG N N 62 118.833 118.833 118.224 0.609 17717 17411 1 18 . 1 1 62 62 ARG HA H 62 4.161 4.161 4.203 -0.042 17717 17412 1 18 . 1 1 62 62 ARG CA C 62 58.030 58.030 58.381 -0.351 17717 17413 1 18 . 1 1 62 62 ARG CB C 62 29.400 29.400 30.610 -1.210 17717 17414 1 18 . 1 1 62 62 ARG H H 62 7.680 7.680 8.254 -0.574 17717 17415 1 18 . 1 1 63 63 LEU N N 63 118.790 118.790 120.757 -1.967 17717 17416 1 18 . 1 1 63 63 LEU HA H 63 4.100 4.100 4.106 -0.006 17717 17417 1 18 . 1 1 63 63 LEU CA C 63 56.360 56.360 57.480 -1.120 17717 17418 1 18 . 1 1 63 63 LEU CB C 63 41.130 41.130 41.370 -0.240 17717 17419 1 18 . 1 1 63 63 LEU H H 63 8.320 8.320 7.782 0.538 17717 17420 1 18 . 1 1 64 64 GLY N N 64 104.679 104.679 108.099 -3.420 17717 17421 1 18 . 1 1 64 64 GLY CA C 64 44.145 44.145 48.061 -3.916 17717 17422 1 18 . 1 1 64 64 GLY H H 64 7.220 7.220 8.337 -1.117 17717 17423 1 18 . 1 1 65 65 PRO CA C 65 62.817 62.817 64.839 -2.022 17717 17424 1 18 . 1 1 65 65 PRO CB C 65 31.290 31.290 31.433 -0.143 17717 17425 1 18 . 1 1 66 66 LEU N N 66 124.866 124.866 120.809 4.057 17717 17426 1 18 . 1 1 66 66 LEU HA H 66 4.609 4.609 4.288 0.321 17717 17427 1 18 . 1 1 66 66 LEU CA C 66 52.900 52.900 58.759 -5.859 17717 17428 1 18 . 1 1 66 66 LEU CB C 66 43.200 43.200 41.065 2.135 17717 17429 1 18 . 1 1 66 66 LEU H H 66 8.550 8.550 8.058 0.492 17717 17430 1 18 . 1 1 67 67 THR N N 67 112.116 112.116 112.861 -0.745 17717 17431 1 18 . 1 1 67 67 THR HA H 67 4.824 4.824 4.467 0.357 17717 17432 1 18 . 1 1 67 67 THR CA C 67 59.240 59.240 66.047 -6.808 17717 17433 1 18 . 1 1 67 67 THR CB C 67 71.550 71.550 69.037 2.513 17717 17434 1 18 . 1 1 67 67 THR H H 67 7.650 7.650 7.942 -0.292 17717 17435 1 18 . 1 1 68 68 ARG N N 68 120.085 120.085 120.072 0.013 17717 17436 1 18 . 1 1 68 68 ARG HA H 68 4.230 4.230 4.018 0.212 17717 17437 1 18 . 1 1 68 68 ARG CA C 68 58.600 58.600 58.916 -0.316 17717 17438 1 18 . 1 1 68 68 ARG CB C 68 28.900 28.900 29.925 -1.025 17717 17439 1 18 . 1 1 68 68 ARG H H 68 8.950 8.950 7.554 1.396 17717 17440 1 18 . 1 1 69 69 ASP N N 69 116.366 116.366 120.161 -3.795 17717 17441 1 18 . 1 1 69 69 ASP HA H 69 4.249 4.249 4.374 -0.125 17717 17442 1 18 . 1 1 69 69 ASP CA C 69 56.100 56.100 58.369 -2.269 17717 17443 1 18 . 1 1 69 69 ASP CB C 69 39.550 39.550 40.748 -1.198 17717 17444 1 18 . 1 1 69 69 ASP H H 69 8.100 8.100 7.874 0.226 17717 17445 1 18 . 1 1 70 70 PHE N N 70 119.553 119.553 118.702 0.851 17717 17446 1 18 . 1 1 70 70 PHE HA H 70 4.090 4.090 3.851 0.239 17717 17447 1 18 . 1 1 70 70 PHE CA C 70 60.700 60.700 59.492 1.208 17717 17448 1 18 . 1 1 70 70 PHE CB C 70 38.100 38.100 37.502 0.598 17717 17449 1 18 . 1 1 70 70 PHE H H 70 7.420 7.420 7.095 0.325 17717 17450 1 18 . 1 1 71 71 TRP N N 71 120.085 120.085 122.315 -2.230 17717 17451 1 18 . 1 1 71 71 TRP HA H 71 4.044 4.044 3.252 0.792 17717 17452 1 18 . 1 1 71 71 TRP CA C 71 58.100 58.100 61.420 -3.320 17717 17453 1 18 . 1 1 71 71 TRP CB C 71 28.100 28.100 28.691 -0.591 17717 17454 1 18 . 1 1 71 71 TRP H H 71 6.950 6.950 7.029 -0.079 17717 17455 1 18 . 1 1 72 72 ASP N N 72 121.450 121.450 117.646 3.804 17717 17456 1 18 . 1 1 72 72 ASP HA H 72 4.310 4.310 3.443 0.867 17717 17457 1 18 . 1 1 72 72 ASP CA C 72 55.350 55.350 56.364 -1.014 17717 17458 1 18 . 1 1 72 72 ASP CB C 72 40.000 40.000 40.314 -0.314 17717 17459 1 18 . 1 1 72 72 ASP H H 72 8.350 8.350 7.683 0.667 17717 17460 1 18 . 1 1 73 73 ASN N N 73 117.200 117.200 118.586 -1.386 17717 17461 1 18 . 1 1 73 73 ASN HA H 73 4.220 4.220 4.362 -0.142 17717 17462 1 18 . 1 1 73 73 ASN CA C 73 54.500 54.500 56.445 -1.945 17717 17463 1 18 . 1 1 73 73 ASN CB C 73 40.000 40.000 38.827 1.173 17717 17464 1 18 . 1 1 73 73 ASN H H 73 7.700 7.700 7.765 -0.065 17717 17465 1 18 . 1 1 74 74 LEU N N 74 123.600 123.600 119.866 3.734 17717 17466 1 18 . 1 1 74 74 LEU HA H 74 4.350 4.350 4.380 -0.030 17717 17467 1 18 . 1 1 74 74 LEU CA C 74 54.700 54.700 57.658 -2.958 17717 17468 1 18 . 1 1 74 74 LEU CB C 74 41.400 41.400 42.201 -0.801 17717 17469 1 18 . 1 1 74 74 LEU H H 74 8.330 8.330 8.416 -0.086 17717 17470 1 18 . 1 1 75 75 GLU N N 75 121.400 121.400 120.650 0.750 17717 17471 1 18 . 1 1 75 75 GLU HA H 75 4.000 4.000 3.808 0.192 17717 17472 1 18 . 1 1 75 75 GLU CA C 75 58.200 58.200 59.128 -0.928 17717 17473 1 18 . 1 1 75 75 GLU CB C 75 28.400 28.400 28.753 -0.353 17717 17474 1 18 . 1 1 75 75 GLU H H 75 8.600 8.600 8.179 0.421 17717 17475 1 18 . 1 1 76 76 LYS N N 76 118.000 118.000 118.713 -0.713 17717 17476 1 18 . 1 1 76 76 LYS HA H 76 4.117 4.117 4.116 0.001 17717 17477 1 18 . 1 1 76 76 LYS CA C 76 58.400 58.400 58.773 -0.373 17717 17478 1 18 . 1 1 76 76 LYS CB C 76 32.480 32.480 32.444 0.036 17717 17479 1 18 . 1 1 76 76 LYS H H 76 7.690 7.690 7.397 0.293 17717 17480 1 18 . 1 1 77 77 GLU N N 77 115.835 115.835 119.182 -3.347 17717 17481 1 18 . 1 1 77 77 GLU HA H 77 4.310 4.310 3.989 0.321 17717 17482 1 18 . 1 1 77 77 GLU CA C 77 54.785 54.785 60.162 -5.377 17717 17483 1 18 . 1 1 77 77 GLU CB C 77 28.355 28.355 29.422 -1.067 17717 17484 1 18 . 1 1 77 77 GLU H H 77 8.290 8.290 7.783 0.507 17717 17485 1 18 . 1 1 78 78 THR N N 78 120.300 120.300 112.435 7.865 17717 17486 1 18 . 1 1 78 78 THR HA H 78 4.410 4.410 3.902 0.508 17717 17487 1 18 . 1 1 78 78 THR CA C 78 68.100 68.100 66.773 1.327 17717 17488 1 18 . 1 1 78 78 THR CB C 78 69.451 69.451 68.418 1.033 17717 17489 1 18 . 1 1 78 78 THR H H 78 7.490 7.490 8.333 -0.843 17717 17490 1 18 . 1 1 79 79 ASP N N 79 120.085 120.085 121.904 -1.819 17717 17491 1 18 . 1 1 79 79 ASP HA H 79 4.480 4.480 4.356 0.124 17717 17492 1 18 . 1 1 79 79 ASP CA C 79 57.426 57.426 57.350 0.076 17717 17493 1 18 . 1 1 79 79 ASP CB C 79 39.240 39.240 40.791 -1.551 17717 17494 1 18 . 1 1 79 79 ASP H H 79 8.880 8.880 7.748 1.132 17717 17495 1 18 . 1 1 80 80 TRP N N 80 123.803 123.803 121.953 1.850 17717 17496 1 18 . 1 1 80 80 TRP HA H 80 4.280 4.280 4.351 -0.071 17717 17497 1 18 . 1 1 80 80 TRP CA C 80 60.660 60.660 61.737 -1.077 17717 17498 1 18 . 1 1 80 80 TRP CB C 80 27.000 27.000 30.375 -3.375 17717 17499 1 18 . 1 1 80 80 TRP H H 80 7.760 7.760 7.966 -0.206 17717 17500 1 18 . 1 1 81 81 VAL N N 81 118.790 118.790 117.371 1.419 17717 17501 1 18 . 1 1 81 81 VAL HA H 81 4.280 4.280 3.871 0.409 17717 17502 1 18 . 1 1 81 81 VAL CA C 81 61.200 61.200 66.248 -5.048 17717 17503 1 18 . 1 1 81 81 VAL CB C 81 29.900 29.900 31.783 -1.883 17717 17504 1 18 . 1 1 81 81 VAL H H 81 8.160 8.160 8.995 -0.835 17717 17505 1 18 . 1 1 82 82 ARG N N 82 119.190 119.190 119.886 -0.696 17717 17506 1 18 . 1 1 82 82 ARG HA H 82 4.480 4.480 3.983 0.497 17717 17507 1 18 . 1 1 82 82 ARG CA C 82 58.400 58.400 59.312 -0.912 17717 17508 1 18 . 1 1 82 82 ARG CB C 82 29.800 29.800 30.100 -0.300 17717 17509 1 18 . 1 1 82 82 ARG H H 82 7.100 7.100 8.498 -1.398 17717 17510 1 18 . 1 1 83 83 GLN N N 83 117.960 117.960 118.372 -0.412 17717 17511 1 18 . 1 1 83 83 GLN HA H 83 4.222 4.222 3.979 0.243 17717 17512 1 18 . 1 1 83 83 GLN CA C 83 55.600 55.600 58.490 -2.890 17717 17513 1 18 . 1 1 83 83 GLN CB C 83 28.550 28.550 28.231 0.319 17717 17514 1 18 . 1 1 83 83 GLN H H 83 8.050 8.050 7.684 0.366 17717 17515 1 18 . 1 1 84 84 GLU N N 84 119.022 119.022 118.524 0.498 17717 17516 1 18 . 1 1 84 84 GLU HA H 84 4.100 4.100 3.941 0.159 17717 17517 1 18 . 1 1 84 84 GLU CA C 84 57.300 57.300 58.288 -0.988 17717 17518 1 18 . 1 1 84 84 GLU CB C 84 28.600 28.600 29.065 -0.465 17717 17519 1 18 . 1 1 84 84 GLU H H 84 7.920 7.920 8.341 -0.420 17717 17520 1 18 . 1 1 85 85 MET N N 85 117.565 117.565 120.192 -2.627 17717 17521 1 18 . 1 1 85 85 MET HA H 85 4.265 4.265 3.973 0.292 17717 17522 1 18 . 1 1 85 85 MET CA C 85 55.020 55.020 59.320 -4.300 17717 17523 1 18 . 1 1 85 85 MET CB C 85 33.000 33.000 32.155 0.845 17717 17524 1 18 . 1 1 85 85 MET H H 85 8.230 8.230 7.402 0.828 17717 17525 1 18 . 1 1 86 86 ASN N N 86 119.022 119.022 116.433 2.589 17717 17526 1 18 . 1 1 86 86 ASN HA H 86 4.570 4.570 4.471 0.099 17717 17527 1 18 . 1 1 86 86 ASN CA C 86 56.000 56.000 56.258 -0.258 17717 17528 1 18 . 1 1 86 86 ASN CB C 86 37.700 37.700 38.646 -0.946 17717 17529 1 18 . 1 1 86 86 ASN H H 86 8.600 8.600 7.763 0.837 17717 17530 1 18 . 1 1 87 87 LYS N N 87 120.273 120.273 120.439 -0.166 17717 17531 1 18 . 1 1 87 87 LYS HA H 87 4.100 4.100 3.923 0.177 17717 17532 1 18 . 1 1 87 87 LYS CA C 87 59.000 59.000 59.227 -0.227 17717 17533 1 18 . 1 1 87 87 LYS CB C 87 30.900 30.900 32.083 -1.183 17717 17534 1 18 . 1 1 87 87 LYS H H 87 7.220 7.220 7.455 -0.235 17717 17535 1 18 . 1 1 88 88 ASP N N 88 121.147 121.147 119.196 1.951 17717 17536 1 18 . 1 1 88 88 ASP HA H 88 4.480 4.480 4.419 0.061 17717 17537 1 18 . 1 1 88 88 ASP CA C 88 56.840 56.840 57.382 -0.542 17717 17538 1 18 . 1 1 88 88 ASP CB C 88 39.450 39.450 40.660 -1.210 17717 17539 1 18 . 1 1 88 88 ASP H H 88 7.390 7.390 7.974 -0.584 17717 17540 1 18 . 1 1 89 89 LEU N N 89 122.741 122.741 120.184 2.557 17717 17541 1 18 . 1 1 89 89 LEU HA H 89 4.470 4.470 3.921 0.549 17717 17542 1 18 . 1 1 89 89 LEU CA C 89 57.000 57.000 58.616 -1.616 17717 17543 1 18 . 1 1 89 89 LEU CB C 89 41.000 41.000 42.247 -1.247 17717 17544 1 18 . 1 1 89 89 LEU H H 89 8.910 8.910 7.454 1.456 17717 17545 1 18 . 1 1 90 90 GLU N N 90 119.553 119.553 117.591 1.962 17717 17546 1 18 . 1 1 90 90 GLU HA H 90 4.050 4.050 4.144 -0.094 17717 17547 1 18 . 1 1 90 90 GLU CA C 90 59.100 59.100 58.573 0.527 17717 17548 1 18 . 1 1 90 90 GLU CB C 90 28.556 28.556 29.742 -1.186 17717 17549 1 18 . 1 1 90 90 GLU H H 90 8.260 8.260 7.776 0.484 17717 17550 1 18 . 1 1 91 91 GLU N N 91 119.190 119.190 120.271 -1.081 17717 17551 1 18 . 1 1 91 91 GLU HA H 91 4.136 4.136 4.150 -0.014 17717 17552 1 18 . 1 1 91 91 GLU CA C 91 58.600 58.600 59.360 -0.760 17717 17553 1 18 . 1 1 91 91 GLU CB C 91 28.600 28.600 29.910 -1.310 17717 17554 1 18 . 1 1 91 91 GLU H H 91 7.470 7.470 8.113 -0.643 17717 17555 1 18 . 1 1 92 92 VAL N N 92 122.230 122.230 116.040 6.190 17717 17556 1 18 . 1 1 92 92 VAL HA H 92 3.837 3.837 3.883 -0.046 17717 17557 1 18 . 1 1 92 92 VAL CA C 92 65.900 65.900 66.158 -0.258 17717 17558 1 18 . 1 1 92 92 VAL CB C 92 29.200 29.200 32.086 -2.886 17717 17559 1 18 . 1 1 92 92 VAL H H 92 8.420 8.420 8.289 0.131 17717 17560 1 18 . 1 1 93 93 LYS N N 93 121.300 121.300 117.929 3.371 17717 17561 1 18 . 1 1 93 93 LYS HA H 93 3.836 3.836 4.257 -0.421 17717 17562 1 18 . 1 1 93 93 LYS CA C 93 59.900 59.900 58.373 1.527 17717 17563 1 18 . 1 1 93 93 LYS CB C 93 31.277 31.277 32.157 -0.880 17717 17564 1 18 . 1 1 93 93 LYS H H 93 9.000 9.000 7.713 1.287 17717 17565 1 18 . 1 1 94 94 GLN N N 94 116.900 116.900 117.241 -0.341 17717 17566 1 18 . 1 1 94 94 GLN HA H 94 4.094 4.094 4.339 -0.245 17717 17567 1 18 . 1 1 94 94 GLN CA C 94 57.731 57.731 57.898 -0.168 17717 17568 1 18 . 1 1 94 94 GLN CB C 94 27.700 27.700 28.426 -0.726 17717 17569 1 18 . 1 1 94 94 GLN H H 94 7.320 7.320 7.764 -0.444 17717 17570 1 18 . 1 1 95 95 LYS N N 95 119.190 119.190 119.639 -0.449 17717 17571 1 18 . 1 1 95 95 LYS HA H 95 4.137 4.137 4.183 -0.046 17717 17572 1 18 . 1 1 95 95 LYS CA C 95 57.700 57.700 58.551 -0.851 17717 17573 1 18 . 1 1 95 95 LYS CB C 95 31.800 31.800 33.106 -1.306 17717 17574 1 18 . 1 1 95 95 LYS H H 95 7.590 7.590 7.721 -0.131 17717 17575 1 18 . 1 1 96 96 VAL N N 96 111.000 111.000 116.034 -5.034 17717 17576 1 18 . 1 1 96 96 VAL HA H 96 4.138 4.138 3.798 0.340 17717 17577 1 18 . 1 1 96 96 VAL CA C 96 61.600 61.600 65.773 -4.173 17717 17578 1 18 . 1 1 96 96 VAL CB C 96 31.500 31.500 31.548 -0.048 17717 17579 1 18 . 1 1 96 96 VAL H H 96 7.960 7.960 7.559 0.401 17717 17580 1 18 . 1 1 97 97 GLN N N 97 122.210 122.210 120.071 2.139 17717 17581 1 18 . 1 1 97 97 GLN HA H 97 4.030 4.030 3.965 0.065 17717 17582 1 18 . 1 1 97 97 GLN CA C 97 59.226 59.226 58.773 0.453 17717 17583 1 18 . 1 1 97 97 GLN CB C 97 24.578 24.578 26.250 -1.672 17717 17584 1 18 . 1 1 97 97 GLN H H 97 7.380 7.380 8.223 -0.843 17717 17585 1 18 . 1 1 98 98 PRO CA C 98 65.400 65.400 63.109 2.291 17717 17586 1 18 . 1 1 98 98 PRO CB C 98 30.336 30.336 32.111 -1.775 17717 17587 1 18 . 1 1 99 99 TYR N N 99 116.900 116.900 114.245 2.655 17717 17588 1 18 . 1 1 99 99 TYR HA H 99 4.480 4.480 4.162 0.318 17717 17589 1 18 . 1 1 99 99 TYR CA C 99 58.446 58.446 58.117 0.329 17717 17590 1 18 . 1 1 99 99 TYR CB C 99 36.344 36.344 34.905 1.439 17717 17591 1 18 . 1 1 99 99 TYR H H 99 7.100 7.100 7.236 -0.136 17717 17592 1 18 . 1 1 100 100 LEU N N 100 123.270 123.270 121.772 1.498 17717 17593 1 18 . 1 1 100 100 LEU HA H 100 3.964 3.964 4.564 -0.600 17717 17594 1 18 . 1 1 100 100 LEU CA C 100 57.300 57.300 53.200 4.100 17717 17595 1 18 . 1 1 100 100 LEU CB C 100 40.950 40.950 43.892 -2.942 17717 17596 1 18 . 1 1 100 100 LEU H H 100 7.500 7.500 7.582 -0.082 17717 17597 1 18 . 1 1 101 101 ASP N N 101 119.500 119.500 119.619 -0.119 17717 17598 1 18 . 1 1 101 101 ASP HA H 101 3.810 3.810 4.803 -0.993 17717 17599 1 18 . 1 1 101 101 ASP CA C 101 58.200 58.200 53.983 4.217 17717 17600 1 18 . 1 1 101 101 ASP CB C 101 39.100 39.100 40.183 -1.083 17717 17601 1 18 . 1 1 101 101 ASP H H 101 8.450 8.450 8.502 -0.052 17717 17602 1 18 . 1 1 102 102 GLU N N 102 121.221 121.221 120.684 0.537 17717 17603 1 18 . 1 1 102 102 GLU HA H 102 4.222 4.222 3.993 0.229 17717 17604 1 18 . 1 1 102 102 GLU CA C 102 59.200 59.200 58.647 0.553 17717 17605 1 18 . 1 1 102 102 GLU CB C 102 31.100 31.100 28.732 2.368 17717 17606 1 18 . 1 1 102 102 GLU H H 102 8.190 8.190 8.256 -0.066 17717 17607 1 18 . 1 1 103 103 PHE N N 103 124.065 124.065 119.257 4.808 17717 17608 1 18 . 1 1 103 103 PHE HA H 103 4.520 4.520 4.121 0.399 17717 17609 1 18 . 1 1 103 103 PHE CA C 103 57.183 57.183 61.176 -3.993 17717 17610 1 18 . 1 1 103 103 PHE CB C 103 38.608 38.608 37.759 0.849 17717 17611 1 18 . 1 1 103 103 PHE H H 103 8.170 8.170 7.405 0.765 17717 17612 1 18 . 1 1 104 104 GLN N N 104 123.272 123.272 118.299 4.973 17717 17613 1 18 . 1 1 104 104 GLN HA H 104 4.222 4.222 4.005 0.217 17717 17614 1 18 . 1 1 104 104 GLN CA C 104 55.460 55.460 59.084 -3.624 17717 17615 1 18 . 1 1 104 104 GLN CB C 104 29.200 29.200 28.282 0.918 17717 17616 1 18 . 1 1 104 104 GLN H H 104 8.030 8.030 8.723 -0.693 17717 17617 1 18 . 1 1 105 105 LYS N N 105 119.600 119.600 120.606 -1.006 17717 17618 1 18 . 1 1 105 105 LYS HA H 105 4.136 4.136 4.033 0.103 17717 17619 1 18 . 1 1 105 105 LYS CA C 105 57.830 57.830 59.469 -1.639 17717 17620 1 18 . 1 1 105 105 LYS CB C 105 32.220 32.220 32.492 -0.272 17717 17621 1 18 . 1 1 105 105 LYS H H 105 7.800 7.800 7.689 0.111 17717 17622 1 18 . 1 1 106 106 LYS N N 106 117.960 117.960 120.381 -2.421 17717 17623 1 18 . 1 1 106 106 LYS HA H 106 4.093 4.093 4.078 0.015 17717 17624 1 18 . 1 1 106 106 LYS CA C 106 57.860 57.860 59.236 -1.376 17717 17625 1 18 . 1 1 106 106 LYS CB C 106 32.080 32.080 31.854 0.227 17717 17626 1 18 . 1 1 106 106 LYS H H 106 7.740 7.740 8.190 -0.450 17717 17627 1 18 . 1 1 107 107 TRP N N 107 119.320 119.320 119.682 -0.362 17717 17628 1 18 . 1 1 107 107 TRP HA H 107 4.310 4.310 4.193 0.117 17717 17629 1 18 . 1 1 107 107 TRP CA C 107 54.900 54.900 61.033 -6.133 17717 17630 1 18 . 1 1 107 107 TRP CB C 107 28.400 28.400 29.175 -0.775 17717 17631 1 18 . 1 1 107 107 TRP H H 107 8.390 8.390 7.863 0.527 17717 17632 1 18 . 1 1 108 108 LYS N N 108 120.390 120.390 119.601 0.789 17717 17633 1 18 . 1 1 108 108 LYS HA H 108 4.350 4.350 3.776 0.574 17717 17634 1 18 . 1 1 108 108 LYS CA C 108 58.170 58.170 58.684 -0.514 17717 17635 1 18 . 1 1 108 108 LYS CB C 108 30.250 30.250 31.902 -1.652 17717 17636 1 18 . 1 1 108 108 LYS H H 108 7.420 7.420 7.802 -0.382 17717 17637 1 18 . 1 1 109 109 GLU N N 109 120.220 120.220 119.731 0.489 17717 17638 1 18 . 1 1 109 109 GLU HA H 109 3.922 3.922 4.005 -0.083 17717 17639 1 18 . 1 1 109 109 GLU CA C 109 58.230 58.230 59.421 -1.191 17717 17640 1 18 . 1 1 109 109 GLU CB C 109 29.230 29.230 29.915 -0.685 17717 17641 1 18 . 1 1 109 109 GLU H H 109 7.800 7.800 7.526 0.274 17717 17642 1 18 . 1 1 110 110 ASP N N 110 121.678 121.678 120.253 1.425 17717 17643 1 18 . 1 1 110 110 ASP HA H 110 4.096 4.096 4.214 -0.118 17717 17644 1 18 . 1 1 110 110 ASP CA C 110 57.514 57.514 57.292 0.222 17717 17645 1 18 . 1 1 110 110 ASP CB C 110 40.005 40.005 40.604 -0.599 17717 17646 1 18 . 1 1 110 110 ASP H H 110 8.220 8.220 8.489 -0.269 17717 17647 1 18 . 1 1 111 111 VAL N N 111 123.537 123.537 117.125 6.412 17717 17648 1 18 . 1 1 111 111 VAL CA C 111 66.380 66.380 66.451 -0.071 17717 17649 1 18 . 1 1 111 111 VAL CB C 111 30.800 30.800 30.805 -0.005 17717 17650 1 18 . 1 1 111 111 VAL H H 111 9.170 9.170 7.621 1.549 17717 17651 1 18 . 1 1 112 112 GLU N N 112 120.200 120.200 120.776 -0.576 17717 17652 1 18 . 1 1 112 112 GLU HA H 112 4.179 4.179 3.978 0.201 17717 17653 1 18 . 1 1 112 112 GLU CA C 112 58.431 58.431 59.466 -1.035 17717 17654 1 18 . 1 1 112 112 GLU CB C 112 27.878 27.878 29.490 -1.612 17717 17655 1 18 . 1 1 112 112 GLU H H 112 7.540 7.540 7.452 0.088 17717 17656 1 18 . 1 1 113 113 LEU N N 113 120.815 120.815 118.186 2.629 17717 17657 1 18 . 1 1 113 113 LEU HA H 113 4.439 4.439 3.807 0.632 17717 17658 1 18 . 1 1 113 113 LEU CA C 113 53.800 53.800 57.663 -3.863 17717 17659 1 18 . 1 1 113 113 LEU CB C 113 41.060 41.060 40.666 0.394 17717 17660 1 18 . 1 1 113 113 LEU H H 113 7.900 7.900 7.337 0.563 17717 17661 1 18 . 1 1 114 114 TYR N N 114 120.920 120.920 120.541 0.379 17717 17662 1 18 . 1 1 114 114 TYR HA H 114 4.520 4.520 4.026 0.494 17717 17663 1 18 . 1 1 114 114 TYR CA C 114 56.942 56.942 61.437 -4.495 17717 17664 1 18 . 1 1 114 114 TYR CB C 114 37.834 37.834 38.292 -0.458 17717 17665 1 18 . 1 1 114 114 TYR H H 114 8.370 8.370 8.046 0.324 17717 17666 1 18 . 1 1 115 115 ARG N N 115 118.260 118.260 117.652 0.608 17717 17667 1 18 . 1 1 115 115 ARG HA H 115 4.820 4.820 3.567 1.253 17717 17668 1 18 . 1 1 115 115 ARG CA C 115 55.700 55.700 59.514 -3.814 17717 17669 1 18 . 1 1 115 115 ARG CB C 115 30.600 30.600 29.741 0.859 17717 17670 1 18 . 1 1 115 115 ARG H H 115 7.630 7.630 7.794 -0.164 17717 17671 1 18 . 1 1 116 116 GLN N N 116 116.670 116.670 117.034 -0.364 17717 17672 1 18 . 1 1 116 116 GLN HA H 116 4.480 4.480 4.024 0.456 17717 17673 1 18 . 1 1 116 116 GLN CA C 116 57.100 57.100 58.018 -0.918 17717 17674 1 18 . 1 1 116 116 GLN CB C 116 28.060 28.060 28.284 -0.224 17717 17675 1 18 . 1 1 116 116 GLN H H 116 7.980 7.980 7.322 0.658 17717 17676 1 18 . 1 1 117 117 LYS N N 117 119.200 119.200 120.136 -0.936 17717 17677 1 18 . 1 1 117 117 LYS HA H 117 4.211 4.211 3.912 0.299 17717 17678 1 18 . 1 1 117 117 LYS CA C 117 56.700 56.700 58.453 -1.752 17717 17679 1 18 . 1 1 117 117 LYS CB C 117 32.100 32.100 31.546 0.554 17717 17680 1 18 . 1 1 117 117 LYS H H 117 7.780 7.780 7.463 0.317 17717 17681 1 18 . 1 1 118 118 ALA N N 118 122.740 122.740 120.837 1.903 17717 17682 1 18 . 1 1 118 118 ALA HA H 118 4.179 4.179 3.944 0.235 17717 17683 1 18 . 1 1 118 118 ALA CA C 118 52.100 52.100 53.020 -0.920 17717 17684 1 18 . 1 1 118 118 ALA CB C 118 18.100 18.100 18.438 -0.338 17717 17685 1 18 . 1 1 118 118 ALA H H 118 8.100 8.100 8.130 -0.030 17717 17686 1 18 . 1 1 119 119 SER N N 119 115.840 115.840 113.923 1.917 17717 17687 1 18 . 1 1 119 119 SER HA H 119 4.210 4.210 4.734 -0.524 17717 17688 1 18 . 1 1 119 119 SER CA C 119 55.900 55.900 54.309 1.591 17717 17689 1 18 . 1 1 119 119 SER CB C 119 62.900 62.900 63.533 -0.633 17717 17690 1 18 . 1 1 119 119 SER H H 119 7.800 7.800 7.462 0.338 17717 17691 1 18 . 1 1 120 120 PRO CA C 120 63.074 63.074 63.012 0.062 17717 17692 1 18 . 1 1 120 120 PRO CB C 120 31.408 31.408 32.111 -0.702 17717 17693 1 18 . 1 1 121 121 GLN N N 121 120.800 120.800 126.821 -6.021 17717 17694 1 18 . 1 1 121 121 GLN HA H 121 4.350 4.350 4.009 0.341 17717 17695 1 18 . 1 1 121 121 GLN CA C 121 55.800 55.800 58.968 -3.168 17717 17696 1 18 . 1 1 121 121 GLN CB C 121 28.300 28.300 27.608 0.692 17717 17697 1 18 . 1 1 121 121 GLN H H 121 8.450 8.450 8.519 -0.069 17717 17698 1 18 . 1 1 122 122 GLY N N 122 109.991 109.991 107.544 2.447 17717 17699 1 18 . 1 1 122 122 GLY CA C 122 44.500 44.500 46.347 -1.847 17717 17700 1 18 . 1 1 122 122 GLY H H 122 8.380 8.380 8.853 -0.473 17717 17701 1 18 . 1 1 123 123 ALA N N 123 124.866 124.866 124.893 -0.027 17717 17702 1 18 . 1 1 123 123 ALA HA H 123 4.280 4.280 4.189 0.091 17717 17703 1 18 . 1 1 123 123 ALA CA C 123 52.440 52.440 55.121 -2.681 17717 17704 1 18 . 1 1 123 123 ALA CB C 123 18.530 18.530 18.608 -0.078 17717 17705 1 18 . 1 1 123 123 ALA H H 123 8.200 8.200 8.073 0.127 17717 17706 1 18 . 1 1 124 124 GLU N N 124 120.000 120.000 117.862 2.138 17717 17707 1 18 . 1 1 124 124 GLU HA H 124 4.265 4.265 4.134 0.131 17717 17708 1 18 . 1 1 124 124 GLU CA C 124 56.533 56.533 58.072 -1.539 17717 17709 1 18 . 1 1 124 124 GLU CB C 124 29.150 29.150 29.219 -0.069 17717 17710 1 18 . 1 1 124 124 GLU H H 124 8.510 8.510 7.944 0.566 17717 17711 1 18 . 1 1 125 125 LEU N N 125 122.740 122.740 123.806 -1.066 17717 17712 1 18 . 1 1 125 125 LEU HA H 125 4.222 4.222 4.059 0.163 17717 17713 1 18 . 1 1 125 125 LEU CA C 125 55.600 55.600 58.120 -2.520 17717 17714 1 18 . 1 1 125 125 LEU CB C 125 41.500 41.500 41.890 -0.390 17717 17715 1 18 . 1 1 125 125 LEU H H 125 8.110 8.110 8.580 -0.470 17717 17716 1 18 . 1 1 126 126 GLN N N 126 120.616 120.616 116.771 3.845 17717 17717 1 18 . 1 1 126 126 GLN HA H 126 4.140 4.140 3.944 0.196 17717 17718 1 18 . 1 1 126 126 GLN CA C 126 56.600 56.600 59.123 -2.523 17717 17719 1 18 . 1 1 126 126 GLN CB C 126 28.200 28.200 28.479 -0.279 17717 17720 1 18 . 1 1 126 126 GLN H H 126 8.190 8.190 8.361 -0.171 17717 17721 1 18 . 1 1 127 127 GLU N N 127 121.221 121.221 120.216 1.005 17717 17722 1 18 . 1 1 127 127 GLU HA H 127 4.480 4.480 4.002 0.478 17717 17723 1 18 . 1 1 127 127 GLU CA C 127 57.800 57.800 59.247 -1.447 17717 17724 1 18 . 1 1 127 127 GLU CB C 127 28.000 28.000 29.794 -1.794 17717 17725 1 18 . 1 1 127 127 GLU H H 127 8.130 8.130 7.695 0.435 17717 17726 1 18 . 1 1 128 128 SER N N 128 117.960 117.960 113.603 4.357 17717 17727 1 18 . 1 1 128 128 SER HA H 128 4.140 4.140 4.294 -0.154 17717 17728 1 18 . 1 1 128 128 SER CA C 128 57.800 57.800 60.824 -3.024 17717 17729 1 18 . 1 1 128 128 SER CB C 128 63.860 63.860 63.632 0.228 17717 17730 1 18 . 1 1 128 128 SER H H 128 8.580 8.580 8.189 0.391 17717 17731 1 18 . 1 1 129 129 ALA N N 129 132.300 132.300 125.702 6.598 17717 17732 1 18 . 1 1 129 129 ALA CA C 129 53.505 53.505 54.270 -0.765 17717 17733 1 18 . 1 1 129 129 ALA CB C 129 18.600 18.600 19.277 -0.677 17717 17734 1 18 . 1 1 129 129 ALA H H 129 7.980 7.980 7.945 0.035 17717 17735 1 18 . 1 1 130 130 ARG N N 130 119.553 119.553 117.032 2.521 17717 17736 1 18 . 1 1 130 130 ARG HA H 130 4.274 4.274 4.445 -0.171 17717 17737 1 18 . 1 1 130 130 ARG CA C 130 55.300 55.300 56.486 -1.186 17717 17738 1 18 . 1 1 130 130 ARG CB C 130 31.600 31.600 30.455 1.145 17717 17739 1 18 . 1 1 130 130 ARG H H 130 8.150 8.150 7.524 0.626 17717 17740 1 18 . 1 1 131 131 GLN N N 131 117.960 117.960 120.155 -2.195 17717 17741 1 18 . 1 1 131 131 GLN HA H 131 4.350 4.350 4.451 -0.101 17717 17742 1 18 . 1 1 131 131 GLN CA C 131 56.066 56.066 56.672 -0.606 17717 17743 1 18 . 1 1 131 131 GLN CB C 131 29.000 29.000 29.384 -0.384 17717 17744 1 18 . 1 1 131 131 GLN H H 131 7.880 7.880 7.985 -0.105 17717 17745 1 18 . 1 1 132 132 LYS N N 132 121.357 121.357 122.780 -1.423 17717 17746 1 18 . 1 1 132 132 LYS HA H 132 4.136 4.136 4.379 -0.243 17717 17747 1 18 . 1 1 132 132 LYS CA C 132 56.800 56.800 56.834 -0.034 17717 17748 1 18 . 1 1 132 132 LYS CB C 132 31.100 31.100 32.209 -1.109 17717 17749 1 18 . 1 1 132 132 LYS H H 132 7.892 7.892 8.625 -0.733 17717 17750 1 18 . 1 1 133 133 LEU N N 133 120.620 120.620 118.377 2.243 17717 17751 1 18 . 1 1 133 133 LEU HA H 133 4.480 4.480 4.384 0.096 17717 17752 1 18 . 1 1 133 133 LEU CA C 133 53.900 53.900 55.235 -1.335 17717 17753 1 18 . 1 1 133 133 LEU CB C 133 41.230 41.230 44.023 -2.793 17717 17754 1 18 . 1 1 133 133 LEU H H 133 8.320 8.320 7.497 0.823 17717 17755 1 18 . 1 1 134 134 GLN N N 134 121.147 121.147 123.420 -2.273 17717 17756 1 18 . 1 1 134 134 GLN HA H 134 4.222 4.222 4.035 0.187 17717 17757 1 18 . 1 1 134 134 GLN CA C 134 56.146 56.146 58.711 -2.565 17717 17758 1 18 . 1 1 134 134 GLN CB C 134 31.813 31.813 28.922 2.892 17717 17759 1 18 . 1 1 134 134 GLN H H 134 7.870 7.870 8.790 -0.920 17717 17760 1 18 . 1 1 135 135 GLU N N 135 121.678 121.678 116.522 5.156 17717 17761 1 18 . 1 1 135 135 GLU HA H 135 4.136 4.136 4.469 -0.333 17717 17762 1 18 . 1 1 135 135 GLU CA C 135 55.904 55.904 54.811 1.093 17717 17763 1 18 . 1 1 135 135 GLU CB C 135 28.953 28.953 29.022 -0.069 17717 17764 1 18 . 1 1 135 135 GLU H H 135 7.892 7.892 8.017 -0.125 17717 17765 1 18 . 1 1 136 136 LEU N N 136 121.357 121.357 122.754 -1.397 17717 17766 1 18 . 1 1 136 136 LEU HA H 136 4.351 4.351 4.609 -0.258 17717 17767 1 18 . 1 1 136 136 LEU CA C 136 54.765 54.765 55.361 -0.596 17717 17768 1 18 . 1 1 136 136 LEU CB C 136 41.823 41.823 43.142 -1.319 17717 17769 1 18 . 1 1 136 136 LEU H H 136 7.962 7.962 7.691 0.271 17717 17770 1 18 . 1 1 137 137 GLN N N 137 124.866 124.866 123.629 1.237 17717 17771 1 18 . 1 1 137 137 GLN HA H 137 4.222 4.222 4.490 -0.268 17717 17772 1 18 . 1 1 137 137 GLN CA C 137 56.300 56.300 56.231 0.069 17717 17773 1 18 . 1 1 137 137 GLN CB C 137 28.000 28.000 31.485 -3.485 17717 17774 1 18 . 1 1 137 137 GLN H H 137 7.938 7.938 8.463 -0.525 17717 17775 1 18 . 1 1 138 138 GLY N N 138 111.054 111.054 112.040 -0.986 17717 17776 1 18 . 1 1 138 138 GLY CA C 138 44.800 44.800 45.907 -1.107 17717 17777 1 18 . 1 1 138 138 GLY H H 138 8.410 8.410 8.487 -0.077 17717 17778 1 18 . 1 1 139 139 ARG N N 139 116.366 116.366 124.295 -7.929 17717 17779 1 18 . 1 1 139 139 ARG HA H 139 4.230 4.230 4.486 -0.256 17717 17780 1 18 . 1 1 139 139 ARG CA C 139 56.300 56.300 56.508 -0.208 17717 17781 1 18 . 1 1 139 139 ARG CB C 139 28.700 28.700 30.609 -1.909 17717 17782 1 18 . 1 1 139 139 ARG H H 139 8.080 8.080 8.580 -0.500 17717 17783 1 18 . 1 1 140 140 LEU N N 140 126.460 126.460 117.716 8.744 17717 17784 1 18 . 1 1 140 140 LEU HA H 140 4.220 4.220 3.942 0.278 17717 17785 1 18 . 1 1 140 140 LEU CA C 140 56.500 56.500 56.416 0.084 17717 17786 1 18 . 1 1 140 140 LEU CB C 140 41.496 41.496 40.490 1.006 17717 17787 1 18 . 1 1 140 140 LEU H H 140 7.740 7.740 8.167 -0.427 17717 17788 1 18 . 1 1 141 141 SER N N 141 119.190 119.190 115.380 3.810 17717 17789 1 18 . 1 1 141 141 SER HA H 141 4.390 4.390 4.497 -0.107 17717 17790 1 18 . 1 1 141 141 SER CA C 141 56.384 56.384 58.855 -2.470 17717 17791 1 18 . 1 1 141 141 SER CB C 141 62.996 62.996 63.747 -0.751 17717 17792 1 18 . 1 1 141 141 SER H H 141 8.430 8.430 8.077 0.353 17717 17793 1 18 . 1 1 142 142 PRO CA C 142 64.840 64.840 64.459 0.381 17717 17794 1 18 . 1 1 142 142 PRO CB C 142 31.345 31.345 31.696 -0.351 17717 17795 1 18 . 1 1 143 143 VAL N N 143 116.900 116.900 116.930 -0.030 17717 17796 1 18 . 1 1 143 143 VAL HA H 143 4.100 4.100 3.784 0.316 17717 17797 1 18 . 1 1 143 143 VAL CA C 143 63.800 63.800 63.528 0.272 17717 17798 1 18 . 1 1 143 143 VAL CB C 143 31.400 31.400 30.460 0.940 17717 17799 1 18 . 1 1 143 143 VAL H H 143 7.780 7.780 7.610 0.170 17717 17800 1 18 . 1 1 144 144 ALA N N 144 125.700 125.700 121.708 3.992 17717 17801 1 18 . 1 1 144 144 ALA HA H 144 4.390 4.390 4.282 0.108 17717 17802 1 18 . 1 1 144 144 ALA CA C 144 54.200 54.200 55.201 -1.001 17717 17803 1 18 . 1 1 144 144 ALA CB C 144 18.361 18.361 18.253 0.108 17717 17804 1 18 . 1 1 144 144 ALA H H 144 7.970 7.970 7.764 0.206 17717 17805 1 18 . 1 1 145 145 GLU N N 145 120.000 120.000 118.521 1.479 17717 17806 1 18 . 1 1 145 145 GLU HA H 145 3.920 3.920 3.979 -0.059 17717 17807 1 18 . 1 1 145 145 GLU CA C 145 59.400 59.400 59.588 -0.188 17717 17808 1 18 . 1 1 145 145 GLU CB C 145 28.400 28.400 28.766 -0.366 17717 17809 1 18 . 1 1 145 145 GLU H H 145 8.600 8.600 7.724 0.876 17717 17810 1 18 . 1 1 146 146 GLU N N 146 119.022 119.022 118.753 0.269 17717 17811 1 18 . 1 1 146 146 GLU HA H 146 4.050 4.050 4.043 0.007 17717 17812 1 18 . 1 1 146 146 GLU CA C 146 58.422 58.422 58.525 -0.103 17717 17813 1 18 . 1 1 146 146 GLU CB C 146 28.172 28.172 28.358 -0.186 17717 17814 1 18 . 1 1 146 146 GLU H H 146 8.070 8.070 8.034 0.036 17717 17815 1 18 . 1 1 147 147 PHE N N 147 117.023 117.023 118.424 -1.401 17717 17816 1 18 . 1 1 147 147 PHE HA H 147 4.523 4.523 4.367 0.156 17717 17817 1 18 . 1 1 147 147 PHE CA C 147 58.592 58.592 60.501 -1.909 17717 17818 1 18 . 1 1 147 147 PHE CB C 147 40.344 40.344 38.451 1.893 17717 17819 1 18 . 1 1 147 147 PHE H H 147 8.161 8.161 7.754 0.407 17717 17820 1 18 . 1 1 148 148 ARG N N 148 120.085 120.085 121.171 -1.086 17717 17821 1 18 . 1 1 148 148 ARG HA H 148 4.136 4.136 4.157 -0.021 17717 17822 1 18 . 1 1 148 148 ARG CA C 148 57.700 57.700 59.167 -1.467 17717 17823 1 18 . 1 1 148 148 ARG CB C 148 30.400 30.400 30.381 0.019 17717 17824 1 18 . 1 1 148 148 ARG H H 148 8.325 8.325 8.150 0.175 17717 17825 1 18 . 1 1 149 149 ASP N N 149 118.530 118.530 118.768 -0.238 17717 17826 1 18 . 1 1 149 149 ASP HA H 149 4.310 4.310 4.477 -0.167 17717 17827 1 18 . 1 1 149 149 ASP CA C 149 54.600 54.600 57.364 -2.764 17717 17828 1 18 . 1 1 149 149 ASP CB C 149 41.000 41.000 40.885 0.116 17717 17829 1 18 . 1 1 149 149 ASP H H 149 8.270 8.270 8.494 -0.224 17717 17830 1 18 . 1 1 150 150 ARG N N 150 126.460 126.460 119.228 7.232 17717 17831 1 18 . 1 1 150 150 ARG HA H 150 4.180 4.180 4.097 0.083 17717 17832 1 18 . 1 1 150 150 ARG CA C 150 56.850 56.850 58.468 -1.618 17717 17833 1 18 . 1 1 150 150 ARG CB C 150 30.451 30.451 30.168 0.283 17717 17834 1 18 . 1 1 150 150 ARG H H 150 7.860 7.860 8.045 -0.185 17717 17835 1 18 . 1 1 152 152 ARG CA C 152 55.764 55.764 59.562 -3.799 17717 17836 1 18 . 1 1 152 152 ARG CB C 152 30.014 30.014 30.213 -0.199 17717 17837 1 18 . 1 1 153 153 THR N N 153 115.832 115.832 114.263 1.569 17717 17838 1 18 . 1 1 153 153 THR HA H 153 4.350 4.350 4.072 0.278 17717 17839 1 18 . 1 1 153 153 THR CA C 153 61.200 61.200 65.910 -4.710 17717 17840 1 18 . 1 1 153 153 THR CB C 153 69.400 69.400 68.198 1.202 17717 17841 1 18 . 1 1 153 153 THR H H 153 8.170 8.170 8.041 0.129 17717 17842 1 18 . 1 1 154 154 HIS N N 154 129.120 129.120 122.740 6.380 17717 17843 1 18 . 1 1 154 154 HIS HA H 154 4.650 4.650 4.512 0.138 17717 17844 1 18 . 1 1 154 154 HIS CA C 154 56.800 56.800 58.836 -2.036 17717 17845 1 18 . 1 1 154 154 HIS CB C 154 30.400 30.400 29.477 0.923 17717 17846 1 18 . 1 1 154 154 HIS H H 154 7.950 7.950 8.181 -0.231 17717 17847 1 18 . 1 1 155 155 VAL N N 155 120.620 120.620 117.878 2.742 17717 17848 1 18 . 1 1 155 155 VAL HA H 155 4.012 4.012 3.348 0.664 17717 17849 1 18 . 1 1 155 155 VAL CA C 155 62.300 62.300 65.715 -3.415 17717 17850 1 18 . 1 1 155 155 VAL CB C 155 31.600 31.600 30.674 0.926 17717 17851 1 18 . 1 1 155 155 VAL H H 155 7.910 7.910 7.312 0.598 17717 17852 1 18 . 1 1 156 156 ASP N N 156 121.147 121.147 121.149 -0.002 17717 17853 1 18 . 1 1 156 156 ASP HA H 156 4.440 4.440 4.269 0.171 17717 17854 1 18 . 1 1 156 156 ASP CA C 156 57.384 57.384 57.754 -0.370 17717 17855 1 18 . 1 1 156 156 ASP CB C 156 40.140 40.140 40.893 -0.753 17717 17856 1 18 . 1 1 156 156 ASP H H 156 8.100 8.100 8.147 -0.047 17717 17857 1 18 . 1 1 157 157 SER N N 157 116.366 116.366 116.629 -0.263 17717 17858 1 18 . 1 1 157 157 SER HA H 157 4.220 4.220 4.122 0.098 17717 17859 1 18 . 1 1 157 157 SER CA C 157 61.500 61.500 61.283 0.217 17717 17860 1 18 . 1 1 157 157 SER CB C 157 62.500 62.500 63.288 -0.788 17717 17861 1 18 . 1 1 157 157 SER H H 157 8.700 8.700 7.873 0.827 17717 17862 1 18 . 1 1 158 158 LEU N N 158 123.272 123.272 122.604 0.668 17717 17863 1 18 . 1 1 158 158 LEU HA H 158 4.520 4.520 4.051 0.469 17717 17864 1 18 . 1 1 158 158 LEU CA C 158 57.140 57.140 58.623 -1.483 17717 17865 1 18 . 1 1 158 158 LEU CB C 158 40.900 40.900 41.952 -1.052 17717 17866 1 18 . 1 1 158 158 LEU H H 158 7.790 7.790 7.647 0.143 17717 17867 1 18 . 1 1 159 159 ARG N N 159 119.553 119.553 117.197 2.356 17717 17868 1 18 . 1 1 159 159 ARG HA H 159 4.530 4.530 4.157 0.373 17717 17869 1 18 . 1 1 159 159 ARG CA C 159 56.800 56.800 59.365 -2.566 17717 17870 1 18 . 1 1 159 159 ARG CB C 159 29.000 29.000 30.160 -1.159 17717 17871 1 18 . 1 1 159 159 ARG H H 159 8.650 8.650 8.211 0.439 17717 17872 1 18 . 1 1 160 160 THR N N 160 115.304 115.304 115.643 -0.339 17717 17873 1 18 . 1 1 160 160 THR HA H 160 3.880 3.880 4.075 -0.195 17717 17874 1 18 . 1 1 160 160 THR CA C 160 65.300 65.300 66.123 -0.823 17717 17875 1 18 . 1 1 160 160 THR CB C 160 68.900 68.900 68.290 0.610 17717 17876 1 18 . 1 1 160 160 THR H H 160 8.100 8.100 7.402 0.698 17717 17877 1 18 . 1 1 161 161 GLN N N 161 122.440 122.440 117.039 5.401 17717 17878 1 18 . 1 1 161 161 GLN HA H 161 4.220 4.220 4.467 -0.247 17717 17879 1 18 . 1 1 161 161 GLN CA C 161 56.900 56.900 56.902 -0.002 17717 17880 1 18 . 1 1 161 161 GLN CB C 161 26.160 26.160 29.001 -2.841 17717 17881 1 18 . 1 1 161 161 GLN H H 161 8.070 8.070 7.834 0.236 17717 17882 1 18 . 1 1 162 162 LEU N N 162 115.398 115.398 120.191 -4.793 17717 17883 1 18 . 1 1 162 162 LEU HA H 162 4.220 4.220 4.843 -0.623 17717 17884 1 18 . 1 1 162 162 LEU CA C 162 56.500 56.500 55.085 1.415 17717 17885 1 18 . 1 1 162 162 LEU CB C 162 41.000 41.000 40.795 0.205 17717 17886 1 18 . 1 1 162 162 LEU H H 162 7.980 7.980 7.694 0.286 17717 17887 1 18 . 1 1 163 163 ALA N N 163 122.210 122.210 123.199 -0.989 17717 17888 1 18 . 1 1 163 163 ALA HA H 163 4.260 4.260 4.160 0.100 17717 17889 1 18 . 1 1 163 163 ALA CA C 163 56.560 56.560 56.636 -0.076 17717 17890 1 18 . 1 1 163 163 ALA CB C 163 15.000 15.000 16.176 -1.176 17717 17891 1 18 . 1 1 163 163 ALA H H 163 7.460 7.460 8.288 -0.828 17717 17892 1 18 . 1 1 164 164 PRO CA C 164 62.800 62.800 65.544 -2.744 17717 17893 1 18 . 1 1 164 164 PRO CB C 164 31.500 31.500 31.139 0.361 17717 17894 1 18 . 1 1 165 165 HIS N N 165 120.080 120.080 117.014 3.066 17717 17895 1 18 . 1 1 165 165 HIS HA H 165 4.390 4.390 4.164 0.226 17717 17896 1 18 . 1 1 165 165 HIS CA C 165 56.000 56.000 59.637 -3.637 17717 17897 1 18 . 1 1 165 165 HIS CB C 165 28.400 28.400 29.305 -0.905 17717 17898 1 18 . 1 1 165 165 HIS H H 165 8.060 8.060 7.987 0.073 17717 17899 1 18 . 1 1 166 166 SER N N 166 116.366 116.366 114.823 1.543 17717 17900 1 18 . 1 1 166 166 SER HA H 166 4.300 4.300 3.678 0.622 17717 17901 1 18 . 1 1 166 166 SER CA C 166 61.200 61.200 61.925 -0.725 17717 17902 1 18 . 1 1 166 166 SER CB C 166 63.000 63.000 62.485 0.515 17717 17903 1 18 . 1 1 166 166 SER H H 166 8.040 8.040 7.777 0.263 17717 17904 1 18 . 1 1 167 167 GLU N N 167 121.678 121.678 121.984 -0.306 17717 17905 1 18 . 1 1 167 167 GLU HA H 167 3.922 3.922 3.988 -0.066 17717 17906 1 18 . 1 1 167 167 GLU CA C 167 62.800 62.800 59.590 3.210 17717 17907 1 18 . 1 1 167 167 GLU CB C 167 31.100 31.100 29.419 1.681 17717 17908 1 18 . 1 1 167 167 GLU H H 167 7.760 7.760 7.777 -0.017 17717 17909 1 18 . 1 1 168 168 GLN N N 168 121.147 121.147 119.212 1.935 17717 17910 1 18 . 1 1 168 168 GLN HA H 168 4.320 4.320 4.112 0.208 17717 17911 1 18 . 1 1 168 168 GLN CA C 168 55.300 55.300 58.826 -3.526 17717 17912 1 18 . 1 1 168 168 GLN CB C 168 28.200 28.200 28.796 -0.596 17717 17913 1 18 . 1 1 168 168 GLN H H 168 8.450 8.450 8.028 0.422 17717 17914 1 18 . 1 1 170 170 ARG CA C 170 58.370 58.370 59.397 -1.027 17717 17915 1 18 . 1 1 170 170 ARG CB C 170 28.900 28.900 30.214 -1.314 17717 17916 1 18 . 1 1 171 171 GLU N N 171 117.960 117.960 119.743 -1.783 17717 17917 1 18 . 1 1 171 171 GLU HA H 171 4.140 4.140 4.235 -0.095 17717 17918 1 18 . 1 1 171 171 GLU CA C 171 57.300 57.300 59.091 -1.791 17717 17919 1 18 . 1 1 171 171 GLU CB C 171 29.200 29.200 29.655 -0.455 17717 17920 1 18 . 1 1 171 171 GLU H H 171 7.730 7.730 8.007 -0.277 17717 17921 1 18 . 1 1 172 172 SER N N 172 116.366 116.366 116.714 -0.348 17717 17922 1 18 . 1 1 172 172 SER HA H 172 4.270 4.270 4.118 0.152 17717 17923 1 18 . 1 1 172 172 SER CA C 172 58.000 58.000 62.119 -4.119 17717 17924 1 18 . 1 1 172 172 SER CB C 172 63.000 63.000 62.972 0.028 17717 17925 1 18 . 1 1 172 172 SER H H 172 8.320 8.320 8.523 -0.203 17717 17926 1 18 . 1 1 173 173 LEU N N 173 124.866 124.866 121.927 2.939 17717 17927 1 18 . 1 1 173 173 LEU HA H 173 4.352 4.352 4.096 0.256 17717 17928 1 18 . 1 1 173 173 LEU CA C 173 54.540 54.540 57.354 -2.814 17717 17929 1 18 . 1 1 173 173 LEU CB C 173 41.400 41.400 41.454 -0.054 17717 17930 1 18 . 1 1 173 173 LEU H H 173 8.260 8.260 7.717 0.543 17717 17931 1 18 . 1 1 174 174 ALA N N 174 126.460 126.460 121.384 5.076 17717 17932 1 18 . 1 1 174 174 ALA HA H 174 4.270 4.270 3.828 0.442 17717 17933 1 18 . 1 1 174 174 ALA CA C 174 55.400 55.400 54.860 0.540 17717 17934 1 18 . 1 1 174 174 ALA CB C 174 17.200 17.200 17.993 -0.793 17717 17935 1 18 . 1 1 174 174 ALA H H 174 8.210 8.210 7.470 0.740 17717 17936 1 18 . 1 1 175 175 GLN N N 175 117.430 117.430 118.587 -1.157 17717 17937 1 18 . 1 1 175 175 GLN HA H 175 4.060 4.060 4.022 0.038 17717 17938 1 18 . 1 1 175 175 GLN CA C 175 58.600 58.600 57.856 0.744 17717 17939 1 18 . 1 1 175 175 GLN CB C 175 27.400 27.400 28.410 -1.010 17717 17940 1 18 . 1 1 175 175 GLN H H 175 8.450 8.450 8.004 0.446 17717 17941 1 18 . 1 1 176 176 ARG N N 176 119.550 119.550 120.804 -1.254 17717 17942 1 18 . 1 1 176 176 ARG HA H 176 4.180 4.180 3.903 0.277 17717 17943 1 18 . 1 1 176 176 ARG CA C 176 56.900 56.900 59.221 -2.321 17717 17944 1 18 . 1 1 176 176 ARG CB C 176 29.300 29.300 29.850 -0.550 17717 17945 1 18 . 1 1 176 176 ARG H H 176 8.070 8.070 8.250 -0.180 17717 17946 1 18 . 1 1 177 177 LEU N N 177 115.840 115.840 116.427 -0.587 17717 17947 1 18 . 1 1 177 177 LEU HA H 177 4.180 4.180 3.881 0.299 17717 17948 1 18 . 1 1 177 177 LEU CA C 177 56.900 56.900 57.938 -1.038 17717 17949 1 18 . 1 1 177 177 LEU CB C 177 40.100 40.100 40.719 -0.619 17717 17950 1 18 . 1 1 177 177 LEU H H 177 8.330 8.330 7.446 0.884 17717 17951 1 18 . 1 1 178 178 ALA N N 178 121.220 121.220 121.524 -0.304 17717 17952 1 18 . 1 1 178 178 ALA HA H 178 3.880 3.880 3.915 -0.035 17717 17953 1 18 . 1 1 178 178 ALA CA C 178 54.600 54.600 54.718 -0.118 17717 17954 1 18 . 1 1 178 178 ALA CB C 178 16.900 16.900 17.985 -1.085 17717 17955 1 18 . 1 1 178 178 ALA H H 178 8.570 8.570 7.472 1.098 17717 17956 1 18 . 1 1 179 179 GLU N N 179 118.490 118.490 120.396 -1.906 17717 17957 1 18 . 1 1 179 179 GLU HA H 179 4.180 4.180 4.023 0.157 17717 17958 1 18 . 1 1 179 179 GLU CA C 179 56.600 56.600 59.192 -2.592 17717 17959 1 18 . 1 1 179 179 GLU CB C 179 29.000 29.000 29.696 -0.696 17717 17960 1 18 . 1 1 179 179 GLU H H 179 7.680 7.680 8.115 -0.435 17717 17961 1 18 . 1 1 180 180 LEU N N 180 117.730 117.730 118.173 -0.443 17717 17962 1 18 . 1 1 180 180 LEU HA H 180 4.265 4.265 3.935 0.330 17717 17963 1 18 . 1 1 180 180 LEU CA C 180 55.020 55.020 56.943 -1.923 17717 17964 1 18 . 1 1 180 180 LEU CB C 180 41.100 41.100 41.339 -0.239 17717 17965 1 18 . 1 1 180 180 LEU H H 180 7.680 7.680 7.355 0.325 17717 17966 1 18 . 1 1 181 181 LYS N N 181 117.400 117.400 118.359 -0.959 17717 17967 1 18 . 1 1 181 181 LYS HA H 181 4.480 4.480 3.982 0.497 17717 17968 1 18 . 1 1 181 181 LYS CA C 181 61.900 61.900 58.492 3.408 17717 17969 1 18 . 1 1 181 181 LYS CB C 181 31.800 31.800 32.472 -0.672 17717 17970 1 18 . 1 1 181 181 LYS H H 181 7.510 7.510 7.731 -0.221 17717 17971 1 18 . 1 1 182 182 SER N N 182 114.010 114.010 114.615 -0.605 17717 17972 1 18 . 1 1 182 182 SER HA H 182 4.350 4.350 4.313 0.037 17717 17973 1 18 . 1 1 182 182 SER CA C 182 58.000 58.000 59.938 -1.938 17717 17974 1 18 . 1 1 182 182 SER CB C 182 63.300 63.300 64.403 -1.103 17717 17975 1 18 . 1 1 182 182 SER H H 182 7.920 7.920 8.119 -0.199 17717 17976 1 18 . 1 1 183 183 ASN N N 183 123.040 123.040 115.358 7.682 17717 17977 1 18 . 1 1 183 183 ASN HA H 183 4.310 4.310 4.858 -0.548 17717 17978 1 18 . 1 1 183 183 ASN CA C 183 55.115 55.115 52.037 3.078 17717 17979 1 18 . 1 1 183 183 ASN CB C 183 37.838 37.838 37.962 -0.123 17717 17980 1 18 . 1 1 183 183 ASN H H 183 8.250 8.250 7.621 0.629 17717 17981 1 18 . 1 1 184 184 PRO CA C 184 63.180 63.180 63.042 0.138 17717 17982 1 18 . 1 1 184 184 PRO CB C 184 31.400 31.400 30.820 0.580 17717 17983 1 18 . 1 1 185 185 THR N N 185 114.240 114.240 119.748 -5.508 17717 17984 1 18 . 1 1 185 185 THR HA H 185 4.270 4.270 4.088 0.182 17717 17985 1 18 . 1 1 185 185 THR CA C 185 61.200 61.200 65.774 -4.574 17717 17986 1 18 . 1 1 185 185 THR CB C 185 69.100 69.100 69.399 -0.299 17717 17987 1 18 . 1 1 185 185 THR H H 185 8.150 8.150 8.132 0.018 17717 17988 1 18 . 1 1 186 186 LEU N N 186 123.270 123.270 117.697 5.573 17717 17989 1 18 . 1 1 186 186 LEU HA H 186 4.350 4.350 4.646 -0.296 17717 17990 1 18 . 1 1 186 186 LEU CA C 186 55.000 55.000 55.641 -0.641 17717 17991 1 18 . 1 1 186 186 LEU CB C 186 41.000 41.000 43.700 -2.700 17717 17992 1 18 . 1 1 186 186 LEU H H 186 8.430 8.430 7.792 0.638 17717 17993 1 18 . 1 1 187 187 ASN N N 187 119.020 119.020 117.167 1.853 17717 17994 1 18 . 1 1 187 187 ASN HA H 187 4.530 4.530 4.964 -0.434 17717 17995 1 18 . 1 1 187 187 ASN CA C 187 53.400 53.400 53.053 0.347 17717 17996 1 18 . 1 1 187 187 ASN CB C 187 37.900 37.900 39.583 -1.683 17717 17997 1 18 . 1 1 187 187 ASN H H 187 8.370 8.370 8.699 -0.329 17717 17998 1 18 . 1 1 188 188 GLU N N 188 123.270 123.270 120.738 2.532 17717 17999 1 18 . 1 1 188 188 GLU HA H 188 4.000 4.000 4.196 -0.196 17717 18000 1 18 . 1 1 188 188 GLU CA C 188 61.700 61.700 56.669 5.031 17717 18001 1 18 . 1 1 188 188 GLU CB C 188 32.100 32.100 27.964 4.136 17717 18002 1 18 . 1 1 188 188 GLU H H 188 7.870 7.870 8.332 -0.462 17717 18003 1 18 . 1 1 189 189 TYR N N 189 122.210 122.210 123.864 -1.654 17717 18004 1 18 . 1 1 189 189 TYR HA H 189 4.440 4.440 4.616 -0.176 17717 18005 1 18 . 1 1 189 189 TYR CA C 189 57.120 57.120 57.704 -0.584 17717 18006 1 18 . 1 1 189 189 TYR CB C 189 40.000 40.000 40.853 -0.853 17717 18007 1 18 . 1 1 189 189 TYR H H 189 8.590 8.590 8.060 0.530 17717 18008 1 18 . 1 1 190 190 HIS N N 190 124.866 124.866 127.126 -2.260 17717 18009 1 18 . 1 1 190 190 HIS HA H 190 4.780 4.780 4.699 0.081 17717 18010 1 18 . 1 1 190 190 HIS CA C 190 56.000 56.000 55.326 0.674 17717 18011 1 18 . 1 1 190 190 HIS CB C 190 29.400 29.400 27.838 1.562 17717 18012 1 18 . 1 1 190 190 HIS H H 190 8.420 8.420 8.668 -0.248 17717 18013 1 18 . 1 1 191 191 SER N N 191 117.429 117.429 118.210 -0.781 17717 18014 1 18 . 1 1 191 191 SER HA H 191 4.140 4.140 4.095 0.045 17717 18015 1 18 . 1 1 191 191 SER CA C 191 58.140 58.140 60.262 -2.122 17717 18016 1 18 . 1 1 191 191 SER CB C 191 63.140 63.140 63.572 -0.432 17717 18017 1 18 . 1 1 191 191 SER H H 191 8.270 8.270 8.275 -0.005 17717 18018 1 18 . 1 1 192 192 SER N N 192 124.335 124.335 114.844 9.491 17717 18019 1 18 . 1 1 192 192 SER HA H 192 4.730 4.730 4.104 0.626 17717 18020 1 18 . 1 1 192 192 SER CA C 192 59.020 59.020 58.240 0.780 17717 18021 1 18 . 1 1 192 192 SER CB C 192 63.000 63.000 62.685 0.315 17717 18022 1 18 . 1 1 192 192 SER H H 192 8.010 8.010 8.228 -0.218 17717 18023 1 18 . 1 1 193 193 ALA N N 193 125.930 125.930 118.721 7.209 17717 18024 1 18 . 1 1 193 193 ALA HA H 193 4.310 4.310 3.758 0.552 17717 18025 1 18 . 1 1 193 193 ALA CA C 193 52.300 52.300 54.057 -1.757 17717 18026 1 18 . 1 1 193 193 ALA CB C 193 18.000 18.000 17.792 0.208 17717 18027 1 18 . 1 1 193 193 ALA H H 193 8.100 8.100 8.234 -0.134 17717 18028 1 18 . 1 1 194 194 LYS N N 194 126.460 126.460 115.744 10.716 17717 18029 1 18 . 1 1 194 194 LYS HA H 194 4.220 4.220 4.524 -0.304 17717 18030 1 18 . 1 1 194 194 LYS CA C 194 56.600 56.600 56.530 0.070 17717 18031 1 18 . 1 1 194 194 LYS CB C 194 33.000 33.000 35.107 -2.107 17717 18032 1 18 . 1 1 194 194 LYS H H 194 7.860 7.860 7.972 -0.112 17717 18033 1 18 . 1 1 195 195 SER N N 195 117.429 117.429 116.761 0.668 17717 18034 1 18 . 1 1 195 195 SER HA H 195 4.430 4.430 4.782 -0.352 17717 18035 1 18 . 1 1 195 195 SER CA C 195 58.499 58.499 56.758 1.742 17717 18036 1 18 . 1 1 195 195 SER CB C 195 63.129 63.129 61.940 1.189 17717 18037 1 18 . 1 1 195 195 SER H H 195 8.240 8.240 8.041 0.199 17717 18038 1 18 . 1 1 196 196 HIS N N 196 122.440 122.440 122.911 -0.471 17717 18039 1 18 . 1 1 196 196 HIS HA H 196 4.222 4.222 4.364 -0.142 17717 18040 1 18 . 1 1 196 196 HIS CA C 196 55.743 55.743 58.963 -3.220 17717 18041 1 18 . 1 1 196 196 HIS CB C 196 28.566 28.566 29.865 -1.299 17717 18042 1 18 . 1 1 196 196 HIS H H 196 8.044 8.044 8.248 -0.204 17717 18043 1 18 . 1 1 197 197 LEU N N 197 117.429 117.429 121.487 -4.058 17717 18044 1 18 . 1 1 197 197 LEU HA H 197 4.179 4.179 4.045 0.134 17717 18045 1 18 . 1 1 197 197 LEU CA C 197 54.540 54.540 58.769 -4.229 17717 18046 1 18 . 1 1 197 197 LEU CB C 197 40.040 40.040 41.694 -1.655 17717 18047 1 18 . 1 1 197 197 LEU H H 197 8.044 8.044 8.773 -0.729 17717 18048 1 18 . 1 1 198 198 LYS N N 198 117.430 117.430 118.890 -1.460 17717 18049 1 18 . 1 1 198 198 LYS HA H 198 4.140 4.140 4.018 0.122 17717 18050 1 18 . 1 1 198 198 LYS CA C 198 57.600 57.600 59.314 -1.714 17717 18051 1 18 . 1 1 198 198 LYS CB C 198 32.000 32.000 31.820 0.180 17717 18052 1 18 . 1 1 198 198 LYS H H 198 7.510 7.510 8.388 -0.878 17717 18053 1 18 . 1 1 199 199 SER N N 199 114.315 114.315 116.190 -1.875 17717 18054 1 18 . 1 1 199 199 SER HA H 199 4.310 4.310 2.957 1.353 17717 18055 1 18 . 1 1 199 199 SER CA C 199 62.000 62.000 60.379 1.621 17717 18056 1 18 . 1 1 199 199 SER CB C 199 63.600 63.600 62.874 0.726 17717 18057 1 18 . 1 1 199 199 SER H H 199 7.930 7.930 7.332 0.598 17717 18058 1 18 . 1 1 200 200 LEU N N 200 124.335 124.335 122.928 1.407 17717 18059 1 18 . 1 1 200 200 LEU HA H 200 4.260 4.260 4.176 0.084 17717 18060 1 18 . 1 1 200 200 LEU CA C 200 55.200 55.200 57.150 -1.950 17717 18061 1 18 . 1 1 200 200 LEU CB C 200 41.200 41.200 41.794 -0.594 17717 18062 1 18 . 1 1 200 200 LEU H H 200 8.170 8.170 7.947 0.223 17717 18063 1 18 . 1 1 201 201 GLY N N 201 109.990 109.990 105.978 4.012 17717 18064 1 18 . 1 1 201 201 GLY CA C 201 44.700 44.700 47.058 -2.358 17717 18065 1 18 . 1 1 201 201 GLY H H 201 8.290 8.290 8.251 0.039 17717 18066 1 18 . 1 1 202 202 GLU N N 202 126.460 126.460 120.764 5.696 17717 18067 1 18 . 1 1 202 202 GLU HA H 202 4.220 4.220 4.251 -0.031 17717 18068 1 18 . 1 1 202 202 GLU CA C 202 56.600 56.600 58.424 -1.824 17717 18069 1 18 . 1 1 202 202 GLU CB C 202 32.800 32.800 30.190 2.610 17717 18070 1 18 . 1 1 202 202 GLU H H 202 7.750 7.750 7.729 0.021 17717 18071 1 18 . 1 1 203 203 LYS CA C 203 55.775 55.775 55.289 0.486 17717 18072 1 18 . 1 1 203 203 LYS CB C 203 32.283 32.283 32.395 -0.112 17717 18073 1 18 . 1 1 204 204 ALA N N 204 125.390 125.390 123.042 2.348 17717 18074 1 18 . 1 1 204 204 ALA HA H 204 4.310 4.310 4.588 -0.278 17717 18075 1 18 . 1 1 204 204 ALA CA C 204 52.000 52.000 50.831 1.169 17717 18076 1 18 . 1 1 204 204 ALA CB C 204 18.400 18.400 21.040 -2.640 17717 18077 1 18 . 1 1 204 204 ALA H H 204 8.180 8.180 7.255 0.925 17717 18078 1 18 . 1 1 205 205 ARG N N 205 121.150 121.150 119.006 2.144 17717 18079 1 18 . 1 1 205 205 ARG HA H 205 4.270 4.270 4.327 -0.057 17717 18080 1 18 . 1 1 205 205 ARG CA C 205 56.384 56.384 54.564 1.820 17717 18081 1 18 . 1 1 205 205 ARG CB C 205 29.193 29.193 29.619 -0.426 17717 18082 1 18 . 1 1 205 205 ARG H H 205 8.350 8.350 8.525 -0.175 17717 18083 1 18 . 1 1 206 206 PRO CA C 206 62.600 62.600 63.636 -1.036 17717 18084 1 18 . 1 1 206 206 PRO CB C 206 31.400 31.400 30.244 1.157 17717 18085 1 18 . 1 1 207 207 ALA N N 207 125.400 125.400 123.862 1.538 17717 18086 1 18 . 1 1 207 207 ALA HA H 207 4.308 4.308 4.345 -0.037 17717 18087 1 18 . 1 1 207 207 ALA CA C 207 51.700 51.700 53.425 -1.725 17717 18088 1 18 . 1 1 207 207 ALA CB C 207 18.200 18.200 19.773 -1.573 17717 18089 1 18 . 1 1 207 207 ALA H H 207 8.400 8.400 8.417 -0.017 17717 18090 1 18 . 1 1 208 208 LEU N N 208 121.680 121.680 121.445 0.235 17717 18091 1 18 . 1 1 208 208 LEU HA H 208 4.480 4.480 4.292 0.188 17717 18092 1 18 . 1 1 208 208 LEU CA C 208 55.100 55.100 56.521 -1.421 17717 18093 1 18 . 1 1 208 208 LEU CB C 208 41.200 41.200 42.622 -1.422 17717 18094 1 18 . 1 1 208 208 LEU H H 208 8.180 8.180 7.764 0.416 17717 18095 1 18 . 1 1 209 209 GLU N N 209 121.147 121.147 120.023 1.124 17717 18096 1 18 . 1 1 209 209 GLU HA H 209 4.180 4.180 3.935 0.245 17717 18097 1 18 . 1 1 209 209 GLU CA C 209 56.477 56.477 59.784 -3.307 17717 18098 1 18 . 1 1 209 209 GLU CB C 209 29.250 29.250 28.909 0.341 17717 18099 1 18 . 1 1 209 209 GLU H H 209 8.380 8.380 8.522 -0.142 17717 18100 1 18 . 1 1 210 210 ASP N N 210 121.147 121.147 119.354 1.793 17717 18101 1 18 . 1 1 210 210 ASP HA H 210 4.260 4.260 4.495 -0.235 17717 18102 1 18 . 1 1 210 210 ASP CA C 210 55.000 55.000 57.100 -2.100 17717 18103 1 18 . 1 1 210 210 ASP CB C 210 37.200 37.200 40.843 -3.643 17717 18104 1 18 . 1 1 210 210 ASP H H 210 8.280 8.280 7.977 0.303 17717 18105 1 18 . 1 1 211 211 LEU N N 211 122.210 122.210 119.569 2.641 17717 18106 1 18 . 1 1 211 211 LEU HA H 211 4.220 4.220 4.295 -0.075 17717 18107 1 18 . 1 1 211 211 LEU CA C 211 57.400 57.400 56.932 0.468 17717 18108 1 18 . 1 1 211 211 LEU CB C 211 39.430 39.430 41.631 -2.201 17717 18109 1 18 . 1 1 211 211 LEU H H 211 8.640 8.640 7.581 1.059 17717 18110 1 18 . 1 1 212 212 ARG N N 212 119.550 119.550 119.627 -0.077 17717 18111 1 18 . 1 1 212 212 ARG HA H 212 4.220 4.220 3.983 0.237 17717 18112 1 18 . 1 1 212 212 ARG CA C 212 57.400 57.400 59.204 -1.804 17717 18113 1 18 . 1 1 212 212 ARG CB C 212 29.600 29.600 30.383 -0.783 17717 18114 1 18 . 1 1 212 212 ARG H H 212 7.910 7.910 8.219 -0.309 17717 18115 1 18 . 1 1 213 213 HIS CA C 213 56.200 56.200 58.876 -2.676 17717 18116 1 18 . 1 1 213 213 HIS CB C 213 31.900 31.900 30.556 1.344 17717 18117 1 18 . 1 1 214 214 SER N N 214 116.366 116.366 116.501 -0.135 17717 18118 1 18 . 1 1 214 214 SER HA H 214 4.265 4.265 4.726 -0.461 17717 18119 1 18 . 1 1 214 214 SER CA C 214 61.100 61.100 58.377 2.723 17717 18120 1 18 . 1 1 214 214 SER CB C 214 63.100 63.100 62.983 0.117 17717 18121 1 18 . 1 1 214 214 SER H H 214 8.140 8.140 7.831 0.309 17717 18122 1 18 . 1 1 215 215 LEU N N 215 130.565 130.565 120.990 9.575 17717 18123 1 18 . 1 1 215 215 LEU HA H 215 4.730 4.730 4.944 -0.214 17717 18124 1 18 . 1 1 215 215 LEU CA C 215 54.900 54.900 54.065 0.835 17717 18125 1 18 . 1 1 215 215 LEU CB C 215 42.000 42.000 44.937 -2.937 17717 18126 1 18 . 1 1 215 215 LEU H H 215 7.890 7.890 7.972 -0.082 17717 18127 1 19 . 1 1 2 2 GLU N N 2 121.678 121.678 121.480 0.198 17717 18128 1 19 . 1 1 2 2 GLU HA H 2 4.488 4.488 4.628 -0.140 17717 18129 1 19 . 1 1 2 2 GLU CA C 2 56.418 56.418 54.778 1.641 17717 18130 1 19 . 1 1 2 2 GLU CB C 2 29.014 29.014 30.898 -1.884 17717 18131 1 19 . 1 1 2 2 GLU H H 2 8.276 8.276 8.435 -0.159 17717 18132 1 19 . 1 1 3 3 PRO CA C 3 62.923 62.923 63.007 -0.084 17717 18133 1 19 . 1 1 3 3 PRO CB C 3 31.547 31.547 32.871 -1.324 17717 18134 1 19 . 1 1 4 4 GLN N N 4 121.147 121.147 118.546 2.601 17717 18135 1 19 . 1 1 4 4 GLN HA H 4 4.349 4.349 4.476 -0.127 17717 18136 1 19 . 1 1 4 4 GLN CA C 4 55.450 55.450 57.304 -1.854 17717 18137 1 19 . 1 1 4 4 GLN CB C 4 28.854 28.854 29.342 -0.488 17717 18138 1 19 . 1 1 4 4 GLN H H 4 8.500 8.500 9.187 -0.687 17717 18139 1 19 . 1 1 5 5 SER N N 5 117.429 117.429 112.018 5.411 17717 18140 1 19 . 1 1 5 5 SER HA H 5 4.329 4.329 3.803 0.526 17717 18141 1 19 . 1 1 5 5 SER CA C 5 58.100 58.100 58.424 -0.324 17717 18142 1 19 . 1 1 5 5 SER CB C 5 63.485 63.485 63.021 0.464 17717 18143 1 19 . 1 1 5 5 SER H H 5 8.370 8.370 7.991 0.379 17717 18144 1 19 . 1 1 6 6 GLN N N 6 123.803 123.803 122.444 1.359 17717 18145 1 19 . 1 1 6 6 GLN CA C 6 56.330 56.330 59.003 -2.673 17717 18146 1 19 . 1 1 6 6 GLN CB C 6 28.800 28.800 28.153 0.647 17717 18147 1 19 . 1 1 6 6 GLN H H 6 8.620 8.620 8.702 -0.082 17717 18148 1 19 . 1 1 7 7 TRP N N 7 119.022 119.022 119.539 -0.517 17717 18149 1 19 . 1 1 7 7 TRP HA H 7 4.394 4.394 4.504 -0.110 17717 18150 1 19 . 1 1 7 7 TRP CA C 7 59.800 59.800 59.138 0.662 17717 18151 1 19 . 1 1 7 7 TRP CB C 7 27.800 27.800 28.724 -0.924 17717 18152 1 19 . 1 1 7 7 TRP H H 7 7.970 7.970 8.280 -0.310 17717 18153 1 19 . 1 1 8 8 ASP N N 8 121.678 121.678 121.043 0.635 17717 18154 1 19 . 1 1 8 8 ASP HA H 8 4.409 4.409 4.156 0.253 17717 18155 1 19 . 1 1 8 8 ASP CA C 8 56.912 56.912 57.133 -0.221 17717 18156 1 19 . 1 1 8 8 ASP CB C 8 38.400 38.400 39.780 -1.380 17717 18157 1 19 . 1 1 8 8 ASP H H 8 8.440 8.440 7.414 1.026 17717 18158 1 19 . 1 1 9 9 LYS N N 9 120.616 120.616 120.489 0.127 17717 18159 1 19 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.157 -0.067 17717 18160 1 19 . 1 1 9 9 LYS CA C 9 58.277 58.277 58.764 -0.487 17717 18161 1 19 . 1 1 9 9 LYS CB C 9 31.550 31.550 32.430 -0.880 17717 18162 1 19 . 1 1 9 9 LYS H H 9 7.830 7.830 7.369 0.461 17717 18163 1 19 . 1 1 10 10 VAL N N 10 118.491 118.491 114.941 3.550 17717 18164 1 19 . 1 1 10 10 VAL HA H 10 3.830 3.830 4.219 -0.389 17717 18165 1 19 . 1 1 10 10 VAL CA C 10 65.630 65.630 66.922 -1.292 17717 18166 1 19 . 1 1 10 10 VAL CB C 10 31.300 31.300 31.299 0.001 17717 18167 1 19 . 1 1 10 10 VAL H H 10 7.160 7.160 7.957 -0.797 17717 18168 1 19 . 1 1 11 11 LYS N N 11 122.210 122.210 118.939 3.271 17717 18169 1 19 . 1 1 11 11 LYS HA H 11 3.880 3.880 3.910 -0.030 17717 18170 1 19 . 1 1 11 11 LYS CA C 11 59.460 59.460 59.348 0.112 17717 18171 1 19 . 1 1 11 11 LYS CB C 11 31.200 31.200 32.078 -0.877 17717 18172 1 19 . 1 1 11 11 LYS H H 11 8.660 8.660 7.800 0.860 17717 18173 1 19 . 1 1 12 12 ASP N N 12 119.553 119.553 120.523 -0.970 17717 18174 1 19 . 1 1 12 12 ASP HA H 12 4.140 4.140 4.361 -0.221 17717 18175 1 19 . 1 1 12 12 ASP CA C 12 57.381 57.381 56.815 0.566 17717 18176 1 19 . 1 1 12 12 ASP CB C 12 39.800 39.800 40.657 -0.857 17717 18177 1 19 . 1 1 12 12 ASP H H 12 7.790 7.790 7.859 -0.069 17717 18178 1 19 . 1 1 13 13 PHE N N 13 116.500 116.500 119.086 -2.586 17717 18179 1 19 . 1 1 13 13 PHE HA H 13 4.690 4.690 4.216 0.474 17717 18180 1 19 . 1 1 13 13 PHE CA C 13 58.662 58.662 60.376 -1.714 17717 18181 1 19 . 1 1 13 13 PHE CB C 13 38.700 38.700 37.914 0.786 17717 18182 1 19 . 1 1 13 13 PHE H H 13 7.680 7.680 7.726 -0.046 17717 18183 1 19 . 1 1 14 14 ALA N N 14 122.209 122.209 122.786 -0.577 17717 18184 1 19 . 1 1 14 14 ALA HA H 14 4.008 4.008 3.706 0.302 17717 18185 1 19 . 1 1 14 14 ALA CA C 14 54.550 54.550 54.718 -0.168 17717 18186 1 19 . 1 1 14 14 ALA CB C 14 17.250 17.250 17.852 -0.602 17717 18187 1 19 . 1 1 14 14 ALA H H 14 8.760 8.760 7.320 1.440 17717 18188 1 19 . 1 1 15 15 ASN N N 15 119.553 119.553 115.779 3.774 17717 18189 1 19 . 1 1 15 15 ASN HA H 15 4.520 4.520 4.342 0.178 17717 18190 1 19 . 1 1 15 15 ASN CA C 15 56.084 56.084 55.156 0.928 17717 18191 1 19 . 1 1 15 15 ASN CB C 15 38.544 38.544 38.490 0.054 17717 18192 1 19 . 1 1 15 15 ASN H H 15 8.930 8.930 7.519 1.411 17717 18193 1 19 . 1 1 16 16 VAL N N 16 116.897 116.897 121.432 -4.535 17717 18194 1 19 . 1 1 16 16 VAL HA H 16 3.590 3.590 3.665 -0.075 17717 18195 1 19 . 1 1 16 16 VAL CA C 16 64.600 64.600 67.548 -2.948 17717 18196 1 19 . 1 1 16 16 VAL CB C 16 31.800 31.800 31.630 0.170 17717 18197 1 19 . 1 1 16 16 VAL H H 16 7.870 7.870 7.560 0.310 17717 18198 1 19 . 1 1 17 17 TYR N N 17 112.116 112.116 117.913 -5.797 17717 18199 1 19 . 1 1 17 17 TYR HA H 17 4.751 4.751 4.279 0.472 17717 18200 1 19 . 1 1 17 17 TYR CA C 17 59.040 59.040 61.038 -1.998 17717 18201 1 19 . 1 1 17 17 TYR CB C 17 39.060 39.060 37.182 1.877 17717 18202 1 19 . 1 1 17 17 TYR H H 17 8.000 8.000 8.368 -0.368 17717 18203 1 19 . 1 1 18 18 VAL N N 18 114.241 114.241 120.988 -6.747 17717 18204 1 19 . 1 1 18 18 VAL HA H 18 4.220 4.220 3.478 0.742 17717 18205 1 19 . 1 1 18 18 VAL CA C 18 63.520 63.520 66.745 -3.225 17717 18206 1 19 . 1 1 18 18 VAL CB C 18 31.128 31.128 31.350 -0.222 17717 18207 1 19 . 1 1 18 18 VAL H H 18 7.600 7.600 6.733 0.867 17717 18208 1 19 . 1 1 19 19 ASP N N 19 123.272 123.272 119.830 3.442 17717 18209 1 19 . 1 1 19 19 ASP HA H 19 4.523 4.523 4.383 0.140 17717 18210 1 19 . 1 1 19 19 ASP CA C 19 56.445 56.445 57.084 -0.639 17717 18211 1 19 . 1 1 19 19 ASP CB C 19 38.700 38.700 40.700 -2.000 17717 18212 1 19 . 1 1 19 19 ASP H H 19 8.890 8.890 8.116 0.774 17717 18213 1 19 . 1 1 20 20 ALA N N 20 118.491 118.491 122.629 -4.138 17717 18214 1 19 . 1 1 20 20 ALA HA H 20 4.230 4.230 4.303 -0.073 17717 18215 1 19 . 1 1 20 20 ALA CA C 20 54.100 54.100 55.388 -1.288 17717 18216 1 19 . 1 1 20 20 ALA CB C 20 18.760 18.760 19.022 -0.262 17717 18217 1 19 . 1 1 20 20 ALA H H 20 6.630 6.630 7.608 -0.978 17717 18218 1 19 . 1 1 21 21 VAL N N 21 116.897 116.897 117.137 -0.240 17717 18219 1 19 . 1 1 21 21 VAL HA H 21 3.664 3.664 3.889 -0.225 17717 18220 1 19 . 1 1 21 21 VAL CA C 21 66.200 66.200 65.918 0.282 17717 18221 1 19 . 1 1 21 21 VAL CB C 21 30.460 30.460 31.788 -1.327 17717 18222 1 19 . 1 1 21 21 VAL H H 21 7.410 7.410 7.785 -0.375 17717 18223 1 19 . 1 1 22 22 LYS N N 22 121.147 121.147 119.258 1.889 17717 18224 1 19 . 1 1 22 22 LYS HA H 22 4.222 4.222 4.053 0.169 17717 18225 1 19 . 1 1 22 22 LYS CA C 22 59.300 59.300 59.046 0.254 17717 18226 1 19 . 1 1 22 22 LYS CB C 22 31.100 31.100 31.598 -0.498 17717 18227 1 19 . 1 1 22 22 LYS H H 22 8.180 8.180 8.447 -0.267 17717 18228 1 19 . 1 1 23 23 ASP N N 23 121.278 121.278 119.804 1.474 17717 18229 1 19 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.476 0.090 17717 18230 1 19 . 1 1 23 23 ASP CA C 23 56.300 56.300 57.054 -0.754 17717 18231 1 19 . 1 1 23 23 ASP CB C 23 38.800 38.800 40.739 -1.939 17717 18232 1 19 . 1 1 23 23 ASP H H 23 8.860 8.860 7.911 0.949 17717 18233 1 19 . 1 1 24 24 SER N N 24 118.491 118.491 115.196 3.295 17717 18234 1 19 . 1 1 24 24 SER HA H 24 4.132 4.132 3.698 0.434 17717 18235 1 19 . 1 1 24 24 SER CA C 24 61.600 61.600 60.914 0.686 17717 18236 1 19 . 1 1 24 24 SER CB C 24 62.442 62.442 62.093 0.349 17717 18237 1 19 . 1 1 24 24 SER H H 24 7.950 7.950 7.890 0.060 17717 18238 1 19 . 1 1 25 25 GLY N N 25 108.377 108.377 110.761 -2.384 17717 18239 1 19 . 1 1 25 25 GLY CA C 25 44.400 44.400 46.638 -2.238 17717 18240 1 19 . 1 1 25 25 GLY H H 25 7.560 7.560 7.636 -0.076 17717 18241 1 19 . 1 1 26 26 ARG N N 26 124.240 124.240 121.826 2.414 17717 18242 1 19 . 1 1 26 26 ARG HA H 26 4.303 4.303 4.124 0.179 17717 18243 1 19 . 1 1 26 26 ARG CA C 26 54.000 54.000 59.269 -5.269 17717 18244 1 19 . 1 1 26 26 ARG CB C 26 28.240 28.240 30.040 -1.800 17717 18245 1 19 . 1 1 26 26 ARG H H 26 8.200 8.200 7.730 0.470 17717 18246 1 19 . 1 1 27 27 ASP N N 27 121.678 121.678 118.841 2.837 17717 18247 1 19 . 1 1 27 27 ASP HA H 27 4.211 4.211 4.562 -0.351 17717 18248 1 19 . 1 1 27 27 ASP CA C 27 58.380 58.380 57.075 1.305 17717 18249 1 19 . 1 1 27 27 ASP CB C 27 40.400 40.400 41.470 -1.070 17717 18250 1 19 . 1 1 27 27 ASP H H 27 7.880 7.880 7.670 0.210 17717 18251 1 19 . 1 1 28 28 TYR N N 28 121.440 121.440 122.061 -0.621 17717 18252 1 19 . 1 1 28 28 TYR HA H 28 4.480 4.480 4.423 0.057 17717 18253 1 19 . 1 1 28 28 TYR CA C 28 57.800 57.800 59.932 -2.132 17717 18254 1 19 . 1 1 28 28 TYR CB C 28 38.322 38.322 38.667 -0.345 17717 18255 1 19 . 1 1 28 28 TYR H H 28 8.020 8.020 8.250 -0.230 17717 18256 1 19 . 1 1 29 29 VAL N N 29 123.272 123.272 118.745 4.527 17717 18257 1 19 . 1 1 29 29 VAL HA H 29 4.040 4.040 3.395 0.645 17717 18258 1 19 . 1 1 29 29 VAL CA C 29 66.400 66.400 64.785 1.615 17717 18259 1 19 . 1 1 29 29 VAL CB C 29 30.500 30.500 30.912 -0.412 17717 18260 1 19 . 1 1 29 29 VAL H H 29 8.280 8.280 8.173 0.107 17717 18261 1 19 . 1 1 30 30 SER N N 30 117.429 117.429 116.023 1.406 17717 18262 1 19 . 1 1 30 30 SER HA H 30 4.000 4.000 4.087 -0.087 17717 18263 1 19 . 1 1 30 30 SER CA C 30 61.070 61.070 62.004 -0.934 17717 18264 1 19 . 1 1 30 30 SER CB C 30 62.000 62.000 62.817 -0.817 17717 18265 1 19 . 1 1 30 30 SER H H 30 8.930 8.930 7.531 1.399 17717 18266 1 19 . 1 1 31 31 GLN N N 31 121.147 121.147 121.353 -0.206 17717 18267 1 19 . 1 1 31 31 GLN HA H 31 4.136 4.136 4.049 0.087 17717 18268 1 19 . 1 1 31 31 GLN CA C 31 58.210 58.210 58.650 -0.440 17717 18269 1 19 . 1 1 31 31 GLN CB C 31 27.600 27.600 28.407 -0.807 17717 18270 1 19 . 1 1 31 31 GLN H H 31 7.740 7.740 7.461 0.279 17717 18271 1 19 . 1 1 32 32 PHE N N 32 117.429 117.429 120.088 -2.659 17717 18272 1 19 . 1 1 32 32 PHE HA H 32 4.020 4.020 4.008 0.012 17717 18273 1 19 . 1 1 32 32 PHE CA C 32 60.600 60.600 61.378 -0.778 17717 18274 1 19 . 1 1 32 32 PHE CB C 32 36.896 36.896 38.753 -1.857 17717 18275 1 19 . 1 1 32 32 PHE H H 32 7.200 7.200 7.690 -0.490 17717 18276 1 19 . 1 1 33 33 GLU N N 33 122.210 122.210 118.741 3.469 17717 18277 1 19 . 1 1 33 33 GLU HA H 33 4.769 4.769 3.603 1.166 17717 18278 1 19 . 1 1 33 33 GLU CA C 33 59.220 59.220 58.868 0.352 17717 18279 1 19 . 1 1 33 33 GLU CB C 33 29.240 29.240 28.976 0.264 17717 18280 1 19 . 1 1 33 33 GLU H H 33 8.160 8.160 7.762 0.398 17717 18281 1 19 . 1 1 34 34 SER N N 34 109.991 109.991 114.010 -4.019 17717 18282 1 19 . 1 1 34 34 SER HA H 34 4.309 4.309 4.251 0.058 17717 18283 1 19 . 1 1 34 34 SER CA C 34 58.240 58.240 60.719 -2.479 17717 18284 1 19 . 1 1 34 34 SER CB C 34 63.260 63.260 62.837 0.423 17717 18285 1 19 . 1 1 34 34 SER H H 34 7.890 7.890 7.778 0.112 17717 18286 1 19 . 1 1 35 35 SER N N 35 120.085 120.085 118.790 1.295 17717 18287 1 19 . 1 1 35 35 SER HA H 35 4.354 4.354 4.108 0.246 17717 18288 1 19 . 1 1 35 35 SER CA C 35 58.100 58.100 61.877 -3.777 17717 18289 1 19 . 1 1 35 35 SER CB C 35 64.398 64.398 62.817 1.581 17717 18290 1 19 . 1 1 35 35 SER H H 35 7.420 7.420 8.064 -0.644 17717 18291 1 19 . 1 1 36 36 SER N N 36 116.130 116.130 118.713 -2.583 17717 18292 1 19 . 1 1 36 36 SER HA H 36 4.350 4.350 4.107 0.243 17717 18293 1 19 . 1 1 36 36 SER CA C 36 58.600 58.600 61.970 -3.370 17717 18294 1 19 . 1 1 36 36 SER CB C 36 63.370 63.370 62.838 0.532 17717 18295 1 19 . 1 1 36 36 SER H H 36 8.100 8.100 7.552 0.548 17717 18296 1 19 . 1 1 37 37 LEU N N 37 121.678 121.678 121.494 0.184 17717 18297 1 19 . 1 1 37 37 LEU HA H 37 4.222 4.222 4.101 0.121 17717 18298 1 19 . 1 1 37 37 LEU CA C 37 56.400 56.400 57.034 -0.634 17717 18299 1 19 . 1 1 37 37 LEU CB C 37 41.200 41.200 41.830 -0.630 17717 18300 1 19 . 1 1 37 37 LEU H H 37 8.290 8.290 7.414 0.876 17717 18301 1 19 . 1 1 38 38 GLY N N 38 108.400 108.400 105.682 2.718 17717 18302 1 19 . 1 1 38 38 GLY CA C 38 46.220 46.220 46.551 -0.331 17717 18303 1 19 . 1 1 38 38 GLY H H 38 7.280 7.280 8.076 -0.796 17717 18304 1 19 . 1 1 39 39 GLN N N 39 120.920 120.920 122.711 -1.791 17717 18305 1 19 . 1 1 39 39 GLN HA H 39 4.092 4.092 4.087 0.005 17717 18306 1 19 . 1 1 39 39 GLN CA C 39 57.423 57.423 58.895 -1.472 17717 18307 1 19 . 1 1 39 39 GLN CB C 39 28.847 28.847 28.469 0.378 17717 18308 1 19 . 1 1 39 39 GLN H H 39 8.360 8.360 7.974 0.386 17717 18309 1 19 . 1 1 40 40 GLN N N 40 118.648 118.648 118.952 -0.304 17717 18310 1 19 . 1 1 40 40 GLN HA H 40 4.040 4.040 4.084 -0.044 17717 18311 1 19 . 1 1 40 40 GLN CA C 40 57.471 57.471 58.367 -0.896 17717 18312 1 19 . 1 1 40 40 GLN CB C 40 28.777 28.777 28.325 0.452 17717 18313 1 19 . 1 1 40 40 GLN H H 40 7.630 7.630 7.719 -0.089 17717 18314 1 19 . 1 1 41 41 LEU N N 41 116.800 116.800 121.923 -5.123 17717 18315 1 19 . 1 1 41 41 LEU HA H 41 4.222 4.222 3.993 0.229 17717 18316 1 19 . 1 1 41 41 LEU CA C 41 55.400 55.400 58.176 -2.776 17717 18317 1 19 . 1 1 41 41 LEU CB C 41 41.754 41.754 42.093 -0.339 17717 18318 1 19 . 1 1 41 41 LEU H H 41 8.010 8.010 7.824 0.186 17717 18319 1 19 . 1 1 42 42 ASN N N 42 115.840 115.840 117.324 -1.484 17717 18320 1 19 . 1 1 42 42 ASN HA H 42 4.485 4.485 4.414 0.071 17717 18321 1 19 . 1 1 42 42 ASN CA C 42 53.500 53.500 56.248 -2.748 17717 18322 1 19 . 1 1 42 42 ASN CB C 42 37.000 37.000 38.713 -1.713 17717 18323 1 19 . 1 1 42 42 ASN H H 42 7.840 7.840 7.733 0.107 17717 18324 1 19 . 1 1 43 43 LEU N N 43 118.490 118.490 121.154 -2.664 17717 18325 1 19 . 1 1 43 43 LEU HA H 43 4.480 4.480 4.315 0.165 17717 18326 1 19 . 1 1 43 43 LEU CA C 43 55.502 55.502 57.749 -2.247 17717 18327 1 19 . 1 1 43 43 LEU CB C 43 41.200 41.200 41.241 -0.041 17717 18328 1 19 . 1 1 43 43 LEU H H 43 9.670 9.670 8.013 1.657 17717 18329 1 19 . 1 1 44 44 ASN N N 44 119.553 119.553 117.326 2.227 17717 18330 1 19 . 1 1 44 44 ASN HA H 44 4.520 4.520 4.536 -0.016 17717 18331 1 19 . 1 1 44 44 ASN CA C 44 52.770 52.770 56.663 -3.893 17717 18332 1 19 . 1 1 44 44 ASN CB C 44 36.200 36.200 38.512 -2.312 17717 18333 1 19 . 1 1 44 44 ASN H H 44 8.950 8.950 8.193 0.757 17717 18334 1 19 . 1 1 45 45 LEU N N 45 119.553 119.553 117.676 1.877 17717 18335 1 19 . 1 1 45 45 LEU HA H 45 4.048 4.048 4.564 -0.516 17717 18336 1 19 . 1 1 45 45 LEU CA C 45 55.569 55.569 57.416 -1.847 17717 18337 1 19 . 1 1 45 45 LEU CB C 45 41.250 41.250 41.546 -0.296 17717 18338 1 19 . 1 1 45 45 LEU H H 45 8.970 8.970 7.790 1.180 17717 18339 1 19 . 1 1 46 46 LEU N N 46 116.900 116.900 119.403 -2.503 17717 18340 1 19 . 1 1 46 46 LEU HA H 46 4.351 4.351 4.264 0.087 17717 18341 1 19 . 1 1 46 46 LEU CA C 46 54.684 54.684 57.449 -2.765 17717 18342 1 19 . 1 1 46 46 LEU CB C 46 39.800 39.800 42.590 -2.789 17717 18343 1 19 . 1 1 46 46 LEU H H 46 8.450 8.450 7.489 0.961 17717 18344 1 19 . 1 1 47 47 GLU N N 47 122.741 122.741 118.327 4.414 17717 18345 1 19 . 1 1 47 47 GLU HA H 47 4.018 4.018 4.064 -0.046 17717 18346 1 19 . 1 1 47 47 GLU CA C 47 58.280 58.280 58.886 -0.606 17717 18347 1 19 . 1 1 47 47 GLU CB C 47 28.800 28.800 29.248 -0.448 17717 18348 1 19 . 1 1 47 47 GLU H H 47 7.490 7.490 8.256 -0.766 17717 18349 1 19 . 1 1 48 48 ASN N N 48 117.200 117.200 118.867 -1.667 17717 18350 1 19 . 1 1 48 48 ASN HA H 48 4.300 4.300 4.460 -0.160 17717 18351 1 19 . 1 1 48 48 ASN CA C 48 53.550 53.550 55.394 -1.844 17717 18352 1 19 . 1 1 48 48 ASN CB C 48 38.490 38.490 37.781 0.709 17717 18353 1 19 . 1 1 48 48 ASN H H 48 8.450 8.450 8.471 -0.021 17717 18354 1 19 . 1 1 49 49 TRP N N 49 119.320 119.320 120.362 -1.042 17717 18355 1 19 . 1 1 49 49 TRP HA H 49 4.300 4.300 4.411 -0.111 17717 18356 1 19 . 1 1 49 49 TRP CA C 49 56.200 56.200 59.824 -3.624 17717 18357 1 19 . 1 1 49 49 TRP CB C 49 27.800 27.800 29.521 -1.721 17717 18358 1 19 . 1 1 49 49 TRP H H 49 8.050 8.050 7.749 0.301 17717 18359 1 19 . 1 1 50 50 ASP N N 50 124.860 124.860 114.504 10.356 17717 18360 1 19 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.533 0.157 17717 18361 1 19 . 1 1 50 50 ASP CA C 50 54.180 54.180 54.777 -0.597 17717 18362 1 19 . 1 1 50 50 ASP CB C 50 40.318 40.318 41.604 -1.286 17717 18363 1 19 . 1 1 50 50 ASP H H 50 8.470 8.470 8.006 0.464 17717 18364 1 19 . 1 1 51 51 THR N N 51 114.240 114.240 116.277 -2.037 17717 18365 1 19 . 1 1 51 51 THR HA H 51 4.250 4.250 4.119 0.131 17717 18366 1 19 . 1 1 51 51 THR CA C 51 61.800 61.800 64.614 -2.814 17717 18367 1 19 . 1 1 51 51 THR CB C 51 69.000 69.000 69.437 -0.437 17717 18368 1 19 . 1 1 51 51 THR H H 51 7.920 7.920 8.131 -0.211 17717 18369 1 19 . 1 1 52 52 LEU N N 52 124.335 124.335 119.708 4.627 17717 18370 1 19 . 1 1 52 52 LEU HA H 52 4.261 4.261 4.011 0.250 17717 18371 1 19 . 1 1 52 52 LEU CA C 52 54.800 54.800 55.539 -0.739 17717 18372 1 19 . 1 1 52 52 LEU CB C 52 41.200 41.200 40.376 0.824 17717 18373 1 19 . 1 1 52 52 LEU H H 52 8.000 8.000 7.973 0.027 17717 18374 1 19 . 1 1 53 53 GLY N N 53 109.991 109.991 108.405 1.586 17717 18375 1 19 . 1 1 53 53 GLY CA C 53 44.700 44.700 45.108 -0.408 17717 18376 1 19 . 1 1 53 53 GLY H H 53 8.450 8.450 8.121 0.329 17717 18377 1 19 . 1 1 54 54 SER N N 54 113.710 113.710 115.260 -1.550 17717 18378 1 19 . 1 1 54 54 SER HA H 54 4.480 4.480 4.163 0.317 17717 18379 1 19 . 1 1 54 54 SER CA C 54 57.300 57.300 59.338 -2.038 17717 18380 1 19 . 1 1 54 54 SER CB C 54 63.100 63.100 62.902 0.198 17717 18381 1 19 . 1 1 54 54 SER H H 54 8.060 8.060 7.908 0.152 17717 18382 1 19 . 1 1 55 55 THR N N 55 116.897 116.897 114.544 2.353 17717 18383 1 19 . 1 1 55 55 THR HA H 55 4.044 4.044 4.311 -0.267 17717 18384 1 19 . 1 1 55 55 THR CA C 55 61.700 61.700 62.394 -0.694 17717 18385 1 19 . 1 1 55 55 THR CB C 55 69.800 69.800 70.106 -0.306 17717 18386 1 19 . 1 1 55 55 THR H H 55 8.210 8.210 8.075 0.135 17717 18387 1 19 . 1 1 56 56 VAL N N 56 123.300 123.300 118.523 4.777 17717 18388 1 19 . 1 1 56 56 VAL HA H 56 3.793 3.793 3.858 -0.065 17717 18389 1 19 . 1 1 56 56 VAL CA C 56 66.384 66.384 63.703 2.680 17717 18390 1 19 . 1 1 56 56 VAL CB C 56 30.268 30.268 30.858 -0.590 17717 18391 1 19 . 1 1 56 56 VAL H H 56 8.280 8.280 7.747 0.533 17717 18392 1 19 . 1 1 57 57 SER N N 57 117.429 117.429 114.301 3.128 17717 18393 1 19 . 1 1 57 57 SER HA H 57 4.136 4.136 4.579 -0.443 17717 18394 1 19 . 1 1 57 57 SER CA C 57 61.100 61.100 58.840 2.260 17717 18395 1 19 . 1 1 57 57 SER CB C 57 62.800 62.800 63.688 -0.888 17717 18396 1 19 . 1 1 57 57 SER H H 57 7.850 7.850 8.158 -0.308 17717 18397 1 19 . 1 1 58 58 GLN N N 58 128.580 128.580 116.665 11.915 17717 18398 1 19 . 1 1 58 58 GLN HA H 58 4.260 4.260 4.521 -0.261 17717 18399 1 19 . 1 1 58 58 GLN CA C 58 56.642 56.642 56.690 -0.048 17717 18400 1 19 . 1 1 58 58 GLN CB C 58 29.023 29.023 29.097 -0.074 17717 18401 1 19 . 1 1 58 58 GLN H H 58 7.990 7.990 8.043 -0.053 17717 18402 1 19 . 1 1 59 59 LEU N N 59 122.210 122.210 118.997 3.213 17717 18403 1 19 . 1 1 59 59 LEU HA H 59 4.310 4.310 4.277 0.033 17717 18404 1 19 . 1 1 59 59 LEU CA C 59 55.300 55.300 58.312 -3.012 17717 18405 1 19 . 1 1 59 59 LEU CB C 59 41.160 41.160 41.120 0.040 17717 18406 1 19 . 1 1 59 59 LEU H H 59 8.050 8.050 7.904 0.146 17717 18407 1 19 . 1 1 60 60 GLN N N 60 120.085 120.085 119.544 0.541 17717 18408 1 19 . 1 1 60 60 GLN HA H 60 4.222 4.222 4.150 0.072 17717 18409 1 19 . 1 1 60 60 GLN CA C 60 55.960 55.960 59.437 -3.477 17717 18410 1 19 . 1 1 60 60 GLN CB C 60 27.900 27.900 28.207 -0.307 17717 18411 1 19 . 1 1 60 60 GLN H H 60 8.210 8.210 8.641 -0.431 17717 18412 1 19 . 1 1 61 61 GLU N N 61 120.920 120.920 117.809 3.111 17717 18413 1 19 . 1 1 61 61 GLU HA H 61 4.216 4.216 4.005 0.211 17717 18414 1 19 . 1 1 61 61 GLU CA C 61 56.900 56.900 59.270 -2.370 17717 18415 1 19 . 1 1 61 61 GLU CB C 61 28.500 28.500 28.686 -0.186 17717 18416 1 19 . 1 1 61 61 GLU H H 61 8.590 8.590 8.828 -0.238 17717 18417 1 19 . 1 1 62 62 ARG N N 62 118.833 118.833 118.866 -0.033 17717 18418 1 19 . 1 1 62 62 ARG HA H 62 4.161 4.161 4.163 -0.002 17717 18419 1 19 . 1 1 62 62 ARG CA C 62 58.030 58.030 58.228 -0.198 17717 18420 1 19 . 1 1 62 62 ARG CB C 62 29.400 29.400 30.215 -0.816 17717 18421 1 19 . 1 1 62 62 ARG H H 62 7.680 7.680 7.450 0.230 17717 18422 1 19 . 1 1 63 63 LEU N N 63 118.790 118.790 120.380 -1.590 17717 18423 1 19 . 1 1 63 63 LEU HA H 63 4.100 4.100 4.102 -0.002 17717 18424 1 19 . 1 1 63 63 LEU CA C 63 56.360 56.360 57.523 -1.163 17717 18425 1 19 . 1 1 63 63 LEU CB C 63 41.130 41.130 41.390 -0.260 17717 18426 1 19 . 1 1 63 63 LEU H H 63 8.320 8.320 7.795 0.525 17717 18427 1 19 . 1 1 64 64 GLY N N 64 104.679 104.679 108.151 -3.472 17717 18428 1 19 . 1 1 64 64 GLY CA C 64 44.145 44.145 48.068 -3.923 17717 18429 1 19 . 1 1 64 64 GLY H H 64 7.220 7.220 8.283 -1.063 17717 18430 1 19 . 1 1 65 65 PRO CA C 65 62.817 62.817 64.865 -2.049 17717 18431 1 19 . 1 1 65 65 PRO CB C 65 31.290 31.290 31.428 -0.138 17717 18432 1 19 . 1 1 66 66 LEU N N 66 124.866 124.866 120.799 4.067 17717 18433 1 19 . 1 1 66 66 LEU HA H 66 4.609 4.609 4.326 0.283 17717 18434 1 19 . 1 1 66 66 LEU CA C 66 52.900 52.900 58.758 -5.858 17717 18435 1 19 . 1 1 66 66 LEU CB C 66 43.200 43.200 41.070 2.130 17717 18436 1 19 . 1 1 66 66 LEU H H 66 8.550 8.550 8.014 0.536 17717 18437 1 19 . 1 1 67 67 THR N N 67 112.116 112.116 113.105 -0.989 17717 18438 1 19 . 1 1 67 67 THR HA H 67 4.824 4.824 4.501 0.323 17717 18439 1 19 . 1 1 67 67 THR CA C 67 59.240 59.240 66.109 -6.870 17717 18440 1 19 . 1 1 67 67 THR CB C 67 71.550 71.550 69.062 2.488 17717 18441 1 19 . 1 1 67 67 THR H H 67 7.650 7.650 7.975 -0.325 17717 18442 1 19 . 1 1 68 68 ARG N N 68 120.085 120.085 120.139 -0.054 17717 18443 1 19 . 1 1 68 68 ARG HA H 68 4.230 4.230 3.963 0.267 17717 18444 1 19 . 1 1 68 68 ARG CA C 68 58.600 58.600 59.068 -0.468 17717 18445 1 19 . 1 1 68 68 ARG CB C 68 28.900 28.900 29.929 -1.029 17717 18446 1 19 . 1 1 68 68 ARG H H 68 8.950 8.950 7.583 1.367 17717 18447 1 19 . 1 1 69 69 ASP N N 69 116.366 116.366 120.091 -3.725 17717 18448 1 19 . 1 1 69 69 ASP HA H 69 4.249 4.249 4.364 -0.115 17717 18449 1 19 . 1 1 69 69 ASP CA C 69 56.100 56.100 58.394 -2.294 17717 18450 1 19 . 1 1 69 69 ASP CB C 69 39.550 39.550 40.721 -1.171 17717 18451 1 19 . 1 1 69 69 ASP H H 69 8.100 8.100 7.829 0.271 17717 18452 1 19 . 1 1 70 70 PHE N N 70 119.553 119.553 118.906 0.647 17717 18453 1 19 . 1 1 70 70 PHE HA H 70 4.090 4.090 3.931 0.159 17717 18454 1 19 . 1 1 70 70 PHE CA C 70 60.700 60.700 59.265 1.435 17717 18455 1 19 . 1 1 70 70 PHE CB C 70 38.100 38.100 37.592 0.508 17717 18456 1 19 . 1 1 70 70 PHE H H 70 7.420 7.420 7.120 0.300 17717 18457 1 19 . 1 1 71 71 TRP N N 71 120.085 120.085 122.332 -2.247 17717 18458 1 19 . 1 1 71 71 TRP HA H 71 4.044 4.044 3.289 0.755 17717 18459 1 19 . 1 1 71 71 TRP CA C 71 58.100 58.100 61.530 -3.430 17717 18460 1 19 . 1 1 71 71 TRP CB C 71 28.100 28.100 28.716 -0.616 17717 18461 1 19 . 1 1 71 71 TRP H H 71 6.950 6.950 7.094 -0.144 17717 18462 1 19 . 1 1 72 72 ASP N N 72 121.450 121.450 117.680 3.770 17717 18463 1 19 . 1 1 72 72 ASP HA H 72 4.310 4.310 3.420 0.890 17717 18464 1 19 . 1 1 72 72 ASP CA C 72 55.350 55.350 56.469 -1.119 17717 18465 1 19 . 1 1 72 72 ASP CB C 72 40.000 40.000 40.303 -0.303 17717 18466 1 19 . 1 1 72 72 ASP H H 72 8.350 8.350 7.752 0.598 17717 18467 1 19 . 1 1 73 73 ASN N N 73 117.200 117.200 118.498 -1.298 17717 18468 1 19 . 1 1 73 73 ASN HA H 73 4.220 4.220 4.357 -0.137 17717 18469 1 19 . 1 1 73 73 ASN CA C 73 54.500 54.500 56.464 -1.964 17717 18470 1 19 . 1 1 73 73 ASN CB C 73 40.000 40.000 38.850 1.150 17717 18471 1 19 . 1 1 73 73 ASN H H 73 7.700 7.700 7.660 0.040 17717 18472 1 19 . 1 1 74 74 LEU N N 74 123.600 123.600 120.048 3.552 17717 18473 1 19 . 1 1 74 74 LEU HA H 74 4.350 4.350 4.382 -0.032 17717 18474 1 19 . 1 1 74 74 LEU CA C 74 54.700 54.700 57.737 -3.037 17717 18475 1 19 . 1 1 74 74 LEU CB C 74 41.400 41.400 42.209 -0.809 17717 18476 1 19 . 1 1 74 74 LEU H H 74 8.330 8.330 8.457 -0.127 17717 18477 1 19 . 1 1 75 75 GLU N N 75 121.400 121.400 120.483 0.917 17717 18478 1 19 . 1 1 75 75 GLU HA H 75 4.000 4.000 3.780 0.220 17717 18479 1 19 . 1 1 75 75 GLU CA C 75 58.200 58.200 59.175 -0.975 17717 18480 1 19 . 1 1 75 75 GLU CB C 75 28.400 28.400 28.764 -0.364 17717 18481 1 19 . 1 1 75 75 GLU H H 75 8.600 8.600 8.263 0.337 17717 18482 1 19 . 1 1 76 76 LYS N N 76 118.000 118.000 118.608 -0.608 17717 18483 1 19 . 1 1 76 76 LYS HA H 76 4.117 4.117 4.121 -0.004 17717 18484 1 19 . 1 1 76 76 LYS CA C 76 58.400 58.400 58.731 -0.331 17717 18485 1 19 . 1 1 76 76 LYS CB C 76 32.480 32.480 32.474 0.006 17717 18486 1 19 . 1 1 76 76 LYS H H 76 7.690 7.690 7.379 0.311 17717 18487 1 19 . 1 1 77 77 GLU N N 77 115.835 115.835 119.145 -3.310 17717 18488 1 19 . 1 1 77 77 GLU HA H 77 4.310 4.310 3.991 0.319 17717 18489 1 19 . 1 1 77 77 GLU CA C 77 54.785 54.785 60.162 -5.377 17717 18490 1 19 . 1 1 77 77 GLU CB C 77 28.355 28.355 29.441 -1.086 17717 18491 1 19 . 1 1 77 77 GLU H H 77 8.290 8.290 7.800 0.490 17717 18492 1 19 . 1 1 78 78 THR N N 78 120.300 120.300 112.599 7.701 17717 18493 1 19 . 1 1 78 78 THR HA H 78 4.410 4.410 3.892 0.518 17717 18494 1 19 . 1 1 78 78 THR CA C 78 68.100 68.100 66.860 1.240 17717 18495 1 19 . 1 1 78 78 THR CB C 78 69.451 69.451 68.323 1.127 17717 18496 1 19 . 1 1 78 78 THR H H 78 7.490 7.490 8.322 -0.832 17717 18497 1 19 . 1 1 79 79 ASP N N 79 120.085 120.085 121.718 -1.633 17717 18498 1 19 . 1 1 79 79 ASP HA H 79 4.480 4.480 4.333 0.147 17717 18499 1 19 . 1 1 79 79 ASP CA C 79 57.426 57.426 57.101 0.325 17717 18500 1 19 . 1 1 79 79 ASP CB C 79 39.240 39.240 40.688 -1.448 17717 18501 1 19 . 1 1 79 79 ASP H H 79 8.880 8.880 7.740 1.140 17717 18502 1 19 . 1 1 80 80 TRP N N 80 123.803 123.803 122.617 1.186 17717 18503 1 19 . 1 1 80 80 TRP HA H 80 4.280 4.280 4.338 -0.058 17717 18504 1 19 . 1 1 80 80 TRP CA C 80 60.660 60.660 61.522 -0.862 17717 18505 1 19 . 1 1 80 80 TRP CB C 80 27.000 27.000 30.258 -3.258 17717 18506 1 19 . 1 1 80 80 TRP H H 80 7.760 7.760 7.984 -0.224 17717 18507 1 19 . 1 1 81 81 VAL N N 81 118.790 118.790 117.355 1.435 17717 18508 1 19 . 1 1 81 81 VAL HA H 81 4.280 4.280 3.911 0.369 17717 18509 1 19 . 1 1 81 81 VAL CA C 81 61.200 61.200 66.227 -5.027 17717 18510 1 19 . 1 1 81 81 VAL CB C 81 29.900 29.900 31.814 -1.914 17717 18511 1 19 . 1 1 81 81 VAL H H 81 8.160 8.160 8.910 -0.750 17717 18512 1 19 . 1 1 82 82 ARG N N 82 119.190 119.190 119.996 -0.806 17717 18513 1 19 . 1 1 82 82 ARG HA H 82 4.480 4.480 3.989 0.491 17717 18514 1 19 . 1 1 82 82 ARG CA C 82 58.400 58.400 59.384 -0.984 17717 18515 1 19 . 1 1 82 82 ARG CB C 82 29.800 29.800 30.114 -0.315 17717 18516 1 19 . 1 1 82 82 ARG H H 82 7.100 7.100 8.442 -1.342 17717 18517 1 19 . 1 1 83 83 GLN N N 83 117.960 117.960 118.288 -0.328 17717 18518 1 19 . 1 1 83 83 GLN HA H 83 4.222 4.222 3.971 0.251 17717 18519 1 19 . 1 1 83 83 GLN CA C 83 55.600 55.600 58.488 -2.888 17717 18520 1 19 . 1 1 83 83 GLN CB C 83 28.550 28.550 28.262 0.288 17717 18521 1 19 . 1 1 83 83 GLN H H 83 8.050 8.050 7.780 0.270 17717 18522 1 19 . 1 1 84 84 GLU N N 84 119.022 119.022 118.853 0.169 17717 18523 1 19 . 1 1 84 84 GLU HA H 84 4.100 4.100 3.962 0.138 17717 18524 1 19 . 1 1 84 84 GLU CA C 84 57.300 57.300 58.321 -1.021 17717 18525 1 19 . 1 1 84 84 GLU CB C 84 28.600 28.600 29.068 -0.468 17717 18526 1 19 . 1 1 84 84 GLU H H 84 7.920 7.920 8.274 -0.354 17717 18527 1 19 . 1 1 85 85 MET N N 85 117.565 117.565 120.477 -2.912 17717 18528 1 19 . 1 1 85 85 MET HA H 85 4.265 4.265 3.957 0.308 17717 18529 1 19 . 1 1 85 85 MET CA C 85 55.020 55.020 59.108 -4.088 17717 18530 1 19 . 1 1 85 85 MET CB C 85 33.000 33.000 32.139 0.861 17717 18531 1 19 . 1 1 85 85 MET H H 85 8.230 8.230 7.674 0.556 17717 18532 1 19 . 1 1 86 86 ASN N N 86 119.022 119.022 116.664 2.358 17717 18533 1 19 . 1 1 86 86 ASN HA H 86 4.570 4.570 4.504 0.066 17717 18534 1 19 . 1 1 86 86 ASN CA C 86 56.000 56.000 55.492 0.508 17717 18535 1 19 . 1 1 86 86 ASN CB C 86 37.700 37.700 38.375 -0.675 17717 18536 1 19 . 1 1 86 86 ASN H H 86 8.600 8.600 7.729 0.871 17717 18537 1 19 . 1 1 87 87 LYS N N 87 120.273 120.273 120.482 -0.209 17717 18538 1 19 . 1 1 87 87 LYS HA H 87 4.100 4.100 3.892 0.208 17717 18539 1 19 . 1 1 87 87 LYS CA C 87 59.000 59.000 59.886 -0.886 17717 18540 1 19 . 1 1 87 87 LYS CB C 87 30.900 30.900 32.194 -1.294 17717 18541 1 19 . 1 1 87 87 LYS H H 87 7.220 7.220 7.598 -0.378 17717 18542 1 19 . 1 1 88 88 ASP N N 88 121.147 121.147 118.963 2.184 17717 18543 1 19 . 1 1 88 88 ASP HA H 88 4.480 4.480 4.406 0.074 17717 18544 1 19 . 1 1 88 88 ASP CA C 88 56.840 56.840 57.078 -0.238 17717 18545 1 19 . 1 1 88 88 ASP CB C 88 39.450 39.450 40.564 -1.114 17717 18546 1 19 . 1 1 88 88 ASP H H 88 7.390 7.390 8.045 -0.655 17717 18547 1 19 . 1 1 89 89 LEU N N 89 122.741 122.741 120.358 2.383 17717 18548 1 19 . 1 1 89 89 LEU HA H 89 4.470 4.470 3.914 0.556 17717 18549 1 19 . 1 1 89 89 LEU CA C 89 57.000 57.000 58.379 -1.379 17717 18550 1 19 . 1 1 89 89 LEU CB C 89 41.000 41.000 42.161 -1.161 17717 18551 1 19 . 1 1 89 89 LEU H H 89 8.910 8.910 7.409 1.501 17717 18552 1 19 . 1 1 90 90 GLU N N 90 119.553 119.553 117.616 1.937 17717 18553 1 19 . 1 1 90 90 GLU HA H 90 4.050 4.050 4.125 -0.075 17717 18554 1 19 . 1 1 90 90 GLU CA C 90 59.100 59.100 58.574 0.526 17717 18555 1 19 . 1 1 90 90 GLU CB C 90 28.556 28.556 29.715 -1.159 17717 18556 1 19 . 1 1 90 90 GLU H H 90 8.260 8.260 7.752 0.508 17717 18557 1 19 . 1 1 91 91 GLU N N 91 119.190 119.190 120.140 -0.950 17717 18558 1 19 . 1 1 91 91 GLU HA H 91 4.136 4.136 4.149 -0.013 17717 18559 1 19 . 1 1 91 91 GLU CA C 91 58.600 58.600 59.272 -0.672 17717 18560 1 19 . 1 1 91 91 GLU CB C 91 28.600 28.600 29.929 -1.329 17717 18561 1 19 . 1 1 91 91 GLU H H 91 7.470 7.470 8.081 -0.611 17717 18562 1 19 . 1 1 92 92 VAL N N 92 122.230 122.230 115.781 6.449 17717 18563 1 19 . 1 1 92 92 VAL HA H 92 3.837 3.837 3.941 -0.104 17717 18564 1 19 . 1 1 92 92 VAL CA C 92 65.900 65.900 66.316 -0.416 17717 18565 1 19 . 1 1 92 92 VAL CB C 92 29.200 29.200 32.088 -2.888 17717 18566 1 19 . 1 1 92 92 VAL H H 92 8.420 8.420 8.281 0.139 17717 18567 1 19 . 1 1 93 93 LYS N N 93 121.300 121.300 118.268 3.032 17717 18568 1 19 . 1 1 93 93 LYS HA H 93 3.836 3.836 4.201 -0.365 17717 18569 1 19 . 1 1 93 93 LYS CA C 93 59.900 59.900 58.676 1.224 17717 18570 1 19 . 1 1 93 93 LYS CB C 93 31.277 31.277 31.925 -0.648 17717 18571 1 19 . 1 1 93 93 LYS H H 93 9.000 9.000 7.600 1.400 17717 18572 1 19 . 1 1 94 94 GLN N N 94 116.900 116.900 116.985 -0.085 17717 18573 1 19 . 1 1 94 94 GLN HA H 94 4.094 4.094 4.285 -0.191 17717 18574 1 19 . 1 1 94 94 GLN CA C 94 57.731 57.731 57.635 0.096 17717 18575 1 19 . 1 1 94 94 GLN CB C 94 27.700 27.700 28.607 -0.907 17717 18576 1 19 . 1 1 94 94 GLN H H 94 7.320 7.320 7.638 -0.318 17717 18577 1 19 . 1 1 95 95 LYS N N 95 119.190 119.190 118.867 0.323 17717 18578 1 19 . 1 1 95 95 LYS HA H 95 4.137 4.137 4.240 -0.103 17717 18579 1 19 . 1 1 95 95 LYS CA C 95 57.700 57.700 58.746 -1.046 17717 18580 1 19 . 1 1 95 95 LYS CB C 95 31.800 31.800 33.280 -1.480 17717 18581 1 19 . 1 1 95 95 LYS H H 95 7.590 7.590 7.603 -0.013 17717 18582 1 19 . 1 1 96 96 VAL N N 96 111.000 111.000 117.170 -6.170 17717 18583 1 19 . 1 1 96 96 VAL HA H 96 4.138 4.138 3.463 0.675 17717 18584 1 19 . 1 1 96 96 VAL CA C 96 61.600 61.600 65.809 -4.209 17717 18585 1 19 . 1 1 96 96 VAL CB C 96 31.500 31.500 31.262 0.238 17717 18586 1 19 . 1 1 96 96 VAL H H 96 7.960 7.960 7.774 0.186 17717 18587 1 19 . 1 1 97 97 GLN N N 97 122.210 122.210 119.749 2.461 17717 18588 1 19 . 1 1 97 97 GLN HA H 97 4.030 4.030 3.951 0.079 17717 18589 1 19 . 1 1 97 97 GLN CA C 97 59.226 59.226 58.902 0.324 17717 18590 1 19 . 1 1 97 97 GLN CB C 97 24.578 24.578 26.861 -2.283 17717 18591 1 19 . 1 1 97 97 GLN H H 97 7.380 7.380 8.317 -0.937 17717 18592 1 19 . 1 1 98 98 PRO CA C 98 65.400 65.400 63.318 2.082 17717 18593 1 19 . 1 1 98 98 PRO CB C 98 30.336 30.336 32.259 -1.923 17717 18594 1 19 . 1 1 99 99 TYR N N 99 116.900 116.900 116.129 0.771 17717 18595 1 19 . 1 1 99 99 TYR HA H 99 4.480 4.480 4.189 0.291 17717 18596 1 19 . 1 1 99 99 TYR CA C 99 58.446 58.446 58.589 -0.143 17717 18597 1 19 . 1 1 99 99 TYR CB C 99 36.344 36.344 35.854 0.490 17717 18598 1 19 . 1 1 99 99 TYR H H 99 7.100 7.100 8.001 -0.901 17717 18599 1 19 . 1 1 100 100 LEU N N 100 123.270 123.270 124.220 -0.950 17717 18600 1 19 . 1 1 100 100 LEU HA H 100 3.964 3.964 4.585 -0.621 17717 18601 1 19 . 1 1 100 100 LEU CA C 100 57.300 57.300 55.111 2.189 17717 18602 1 19 . 1 1 100 100 LEU CB C 100 40.950 40.950 42.624 -1.674 17717 18603 1 19 . 1 1 100 100 LEU H H 100 7.500 7.500 8.230 -0.730 17717 18604 1 19 . 1 1 101 101 ASP N N 101 119.500 119.500 118.046 1.454 17717 18605 1 19 . 1 1 101 101 ASP HA H 101 3.810 3.810 4.562 -0.752 17717 18606 1 19 . 1 1 101 101 ASP CA C 101 58.200 58.200 54.729 3.471 17717 18607 1 19 . 1 1 101 101 ASP CB C 101 39.100 39.100 40.131 -1.031 17717 18608 1 19 . 1 1 101 101 ASP H H 101 8.450 8.450 8.086 0.364 17717 18609 1 19 . 1 1 102 102 GLU N N 102 121.221 121.221 120.841 0.380 17717 18610 1 19 . 1 1 102 102 GLU HA H 102 4.222 4.222 3.947 0.275 17717 18611 1 19 . 1 1 102 102 GLU CA C 102 59.200 59.200 58.905 0.295 17717 18612 1 19 . 1 1 102 102 GLU CB C 102 31.100 31.100 28.796 2.304 17717 18613 1 19 . 1 1 102 102 GLU H H 102 8.190 8.190 8.424 -0.234 17717 18614 1 19 . 1 1 103 103 PHE N N 103 124.065 124.065 119.770 4.295 17717 18615 1 19 . 1 1 103 103 PHE HA H 103 4.520 4.520 4.194 0.326 17717 18616 1 19 . 1 1 103 103 PHE CA C 103 57.183 57.183 60.465 -3.282 17717 18617 1 19 . 1 1 103 103 PHE CB C 103 38.608 38.608 37.816 0.792 17717 18618 1 19 . 1 1 103 103 PHE H H 103 8.170 8.170 7.197 0.973 17717 18619 1 19 . 1 1 104 104 GLN N N 104 123.272 123.272 118.436 4.836 17717 18620 1 19 . 1 1 104 104 GLN HA H 104 4.222 4.222 4.125 0.097 17717 18621 1 19 . 1 1 104 104 GLN CA C 104 55.460 55.460 58.523 -3.063 17717 18622 1 19 . 1 1 104 104 GLN CB C 104 29.200 29.200 28.174 1.026 17717 18623 1 19 . 1 1 104 104 GLN H H 104 8.030 8.030 8.450 -0.420 17717 18624 1 19 . 1 1 105 105 LYS N N 105 119.600 119.600 120.901 -1.301 17717 18625 1 19 . 1 1 105 105 LYS HA H 105 4.136 4.136 4.079 0.057 17717 18626 1 19 . 1 1 105 105 LYS CA C 105 57.830 57.830 58.962 -1.132 17717 18627 1 19 . 1 1 105 105 LYS CB C 105 32.220 32.220 32.181 0.039 17717 18628 1 19 . 1 1 105 105 LYS H H 105 7.800 7.800 8.071 -0.271 17717 18629 1 19 . 1 1 106 106 LYS N N 106 117.960 117.960 120.714 -2.754 17717 18630 1 19 . 1 1 106 106 LYS HA H 106 4.093 4.093 4.076 0.017 17717 18631 1 19 . 1 1 106 106 LYS CA C 106 57.860 57.860 59.349 -1.489 17717 18632 1 19 . 1 1 106 106 LYS CB C 106 32.080 32.080 31.880 0.200 17717 18633 1 19 . 1 1 106 106 LYS H H 106 7.740 7.740 7.914 -0.174 17717 18634 1 19 . 1 1 107 107 TRP N N 107 119.320 119.320 119.029 0.291 17717 18635 1 19 . 1 1 107 107 TRP HA H 107 4.310 4.310 4.227 0.083 17717 18636 1 19 . 1 1 107 107 TRP CA C 107 54.900 54.900 60.679 -5.779 17717 18637 1 19 . 1 1 107 107 TRP CB C 107 28.400 28.400 29.264 -0.864 17717 18638 1 19 . 1 1 107 107 TRP H H 107 8.390 8.390 7.828 0.562 17717 18639 1 19 . 1 1 108 108 LYS N N 108 120.390 120.390 118.907 1.483 17717 18640 1 19 . 1 1 108 108 LYS HA H 108 4.350 4.350 3.835 0.515 17717 18641 1 19 . 1 1 108 108 LYS CA C 108 58.170 58.170 58.569 -0.399 17717 18642 1 19 . 1 1 108 108 LYS CB C 108 30.250 30.250 31.819 -1.569 17717 18643 1 19 . 1 1 108 108 LYS H H 108 7.420 7.420 7.835 -0.415 17717 18644 1 19 . 1 1 109 109 GLU N N 109 120.220 120.220 119.953 0.267 17717 18645 1 19 . 1 1 109 109 GLU HA H 109 3.922 3.922 3.975 -0.053 17717 18646 1 19 . 1 1 109 109 GLU CA C 109 58.230 58.230 59.834 -1.604 17717 18647 1 19 . 1 1 109 109 GLU CB C 109 29.230 29.230 29.669 -0.439 17717 18648 1 19 . 1 1 109 109 GLU H H 109 7.800 7.800 7.464 0.336 17717 18649 1 19 . 1 1 110 110 ASP N N 110 121.678 121.678 120.037 1.641 17717 18650 1 19 . 1 1 110 110 ASP HA H 110 4.096 4.096 4.187 -0.091 17717 18651 1 19 . 1 1 110 110 ASP CA C 110 57.514 57.514 57.388 0.126 17717 18652 1 19 . 1 1 110 110 ASP CB C 110 40.005 40.005 40.477 -0.471 17717 18653 1 19 . 1 1 110 110 ASP H H 110 8.220 8.220 8.369 -0.149 17717 18654 1 19 . 1 1 111 111 VAL N N 111 123.537 123.537 117.931 5.606 17717 18655 1 19 . 1 1 111 111 VAL CA C 111 66.380 66.380 66.161 0.219 17717 18656 1 19 . 1 1 111 111 VAL CB C 111 30.800 30.800 30.824 -0.024 17717 18657 1 19 . 1 1 111 111 VAL H H 111 9.170 9.170 7.302 1.868 17717 18658 1 19 . 1 1 112 112 GLU N N 112 120.200 120.200 120.503 -0.303 17717 18659 1 19 . 1 1 112 112 GLU HA H 112 4.179 4.179 4.001 0.178 17717 18660 1 19 . 1 1 112 112 GLU CA C 112 58.431 58.431 59.386 -0.955 17717 18661 1 19 . 1 1 112 112 GLU CB C 112 27.878 27.878 29.525 -1.647 17717 18662 1 19 . 1 1 112 112 GLU H H 112 7.540 7.540 7.333 0.207 17717 18663 1 19 . 1 1 113 113 LEU N N 113 120.815 120.815 118.563 2.252 17717 18664 1 19 . 1 1 113 113 LEU HA H 113 4.439 4.439 3.796 0.643 17717 18665 1 19 . 1 1 113 113 LEU CA C 113 53.800 53.800 57.631 -3.831 17717 18666 1 19 . 1 1 113 113 LEU CB C 113 41.060 41.060 40.673 0.387 17717 18667 1 19 . 1 1 113 113 LEU H H 113 7.900 7.900 7.555 0.345 17717 18668 1 19 . 1 1 114 114 TYR N N 114 120.920 120.920 119.904 1.016 17717 18669 1 19 . 1 1 114 114 TYR HA H 114 4.520 4.520 3.986 0.534 17717 18670 1 19 . 1 1 114 114 TYR CA C 114 56.942 56.942 61.635 -4.693 17717 18671 1 19 . 1 1 114 114 TYR CB C 114 37.834 37.834 38.652 -0.818 17717 18672 1 19 . 1 1 114 114 TYR H H 114 8.370 8.370 8.433 -0.063 17717 18673 1 19 . 1 1 115 115 ARG N N 115 118.260 118.260 117.698 0.562 17717 18674 1 19 . 1 1 115 115 ARG HA H 115 4.820 4.820 3.887 0.933 17717 18675 1 19 . 1 1 115 115 ARG CA C 115 55.700 55.700 59.461 -3.761 17717 18676 1 19 . 1 1 115 115 ARG CB C 115 30.600 30.600 29.502 1.099 17717 18677 1 19 . 1 1 115 115 ARG H H 115 7.630 7.630 7.850 -0.220 17717 18678 1 19 . 1 1 116 116 GLN N N 116 116.670 116.670 117.183 -0.513 17717 18679 1 19 . 1 1 116 116 GLN HA H 116 4.480 4.480 4.054 0.426 17717 18680 1 19 . 1 1 116 116 GLN CA C 116 57.100 57.100 58.057 -0.957 17717 18681 1 19 . 1 1 116 116 GLN CB C 116 28.060 28.060 28.195 -0.135 17717 18682 1 19 . 1 1 116 116 GLN H H 116 7.980 7.980 7.325 0.655 17717 18683 1 19 . 1 1 117 117 LYS N N 117 119.200 119.200 120.066 -0.866 17717 18684 1 19 . 1 1 117 117 LYS HA H 117 4.211 4.211 3.873 0.338 17717 18685 1 19 . 1 1 117 117 LYS CA C 117 56.700 56.700 58.391 -1.691 17717 18686 1 19 . 1 1 117 117 LYS CB C 117 32.100 32.100 31.514 0.586 17717 18687 1 19 . 1 1 117 117 LYS H H 117 7.780 7.780 7.405 0.375 17717 18688 1 19 . 1 1 118 118 ALA N N 118 122.740 122.740 119.942 2.798 17717 18689 1 19 . 1 1 118 118 ALA HA H 118 4.179 4.179 3.714 0.465 17717 18690 1 19 . 1 1 118 118 ALA CA C 118 52.100 52.100 53.131 -1.031 17717 18691 1 19 . 1 1 118 118 ALA CB C 118 18.100 18.100 18.381 -0.281 17717 18692 1 19 . 1 1 118 118 ALA H H 118 8.100 8.100 7.687 0.413 17717 18693 1 19 . 1 1 119 119 SER N N 119 115.840 115.840 114.738 1.102 17717 18694 1 19 . 1 1 119 119 SER HA H 119 4.210 4.210 4.813 -0.603 17717 18695 1 19 . 1 1 119 119 SER CA C 119 55.900 55.900 54.217 1.683 17717 18696 1 19 . 1 1 119 119 SER CB C 119 62.900 62.900 63.632 -0.732 17717 18697 1 19 . 1 1 119 119 SER H H 119 7.800 7.800 7.371 0.429 17717 18698 1 19 . 1 1 120 120 PRO CA C 120 63.074 63.074 62.911 0.163 17717 18699 1 19 . 1 1 120 120 PRO CB C 120 31.408 31.408 32.368 -0.960 17717 18700 1 19 . 1 1 121 121 GLN N N 121 120.800 120.800 127.200 -6.400 17717 18701 1 19 . 1 1 121 121 GLN HA H 121 4.350 4.350 4.023 0.327 17717 18702 1 19 . 1 1 121 121 GLN CA C 121 55.800 55.800 58.981 -3.181 17717 18703 1 19 . 1 1 121 121 GLN CB C 121 28.300 28.300 27.557 0.743 17717 18704 1 19 . 1 1 121 121 GLN H H 121 8.450 8.450 8.769 -0.319 17717 18705 1 19 . 1 1 122 122 GLY N N 122 109.991 109.991 107.399 2.592 17717 18706 1 19 . 1 1 122 122 GLY CA C 122 44.500 44.500 46.621 -2.121 17717 18707 1 19 . 1 1 122 122 GLY H H 122 8.380 8.380 8.869 -0.489 17717 18708 1 19 . 1 1 123 123 ALA N N 123 124.866 124.866 125.235 -0.369 17717 18709 1 19 . 1 1 123 123 ALA HA H 123 4.280 4.280 4.295 -0.015 17717 18710 1 19 . 1 1 123 123 ALA CA C 123 52.440 52.440 54.972 -2.532 17717 18711 1 19 . 1 1 123 123 ALA CB C 123 18.530 18.530 18.734 -0.204 17717 18712 1 19 . 1 1 123 123 ALA H H 123 8.200 8.200 8.168 0.032 17717 18713 1 19 . 1 1 124 124 GLU N N 124 120.000 120.000 118.343 1.657 17717 18714 1 19 . 1 1 124 124 GLU HA H 124 4.265 4.265 4.188 0.077 17717 18715 1 19 . 1 1 124 124 GLU CA C 124 56.533 56.533 58.454 -1.921 17717 18716 1 19 . 1 1 124 124 GLU CB C 124 29.150 29.150 29.344 -0.194 17717 18717 1 19 . 1 1 124 124 GLU H H 124 8.510 8.510 7.690 0.820 17717 18718 1 19 . 1 1 125 125 LEU N N 125 122.740 122.740 123.277 -0.537 17717 18719 1 19 . 1 1 125 125 LEU HA H 125 4.222 4.222 4.115 0.107 17717 18720 1 19 . 1 1 125 125 LEU CA C 125 55.600 55.600 58.245 -2.646 17717 18721 1 19 . 1 1 125 125 LEU CB C 125 41.500 41.500 41.589 -0.089 17717 18722 1 19 . 1 1 125 125 LEU H H 125 8.110 8.110 8.802 -0.692 17717 18723 1 19 . 1 1 126 126 GLN N N 126 120.616 120.616 116.483 4.133 17717 18724 1 19 . 1 1 126 126 GLN HA H 126 4.140 4.140 4.076 0.064 17717 18725 1 19 . 1 1 126 126 GLN CA C 126 56.600 56.600 58.472 -1.872 17717 18726 1 19 . 1 1 126 126 GLN CB C 126 28.200 28.200 28.237 -0.037 17717 18727 1 19 . 1 1 126 126 GLN H H 126 8.190 8.190 8.189 0.001 17717 18728 1 19 . 1 1 127 127 GLU N N 127 121.221 121.221 120.934 0.287 17717 18729 1 19 . 1 1 127 127 GLU HA H 127 4.480 4.480 4.077 0.403 17717 18730 1 19 . 1 1 127 127 GLU CA C 127 57.800 57.800 59.367 -1.567 17717 18731 1 19 . 1 1 127 127 GLU CB C 127 28.000 28.000 29.615 -1.615 17717 18732 1 19 . 1 1 127 127 GLU H H 127 8.130 8.130 7.833 0.297 17717 18733 1 19 . 1 1 128 128 SER N N 128 117.960 117.960 115.333 2.627 17717 18734 1 19 . 1 1 128 128 SER HA H 128 4.140 4.140 4.313 -0.173 17717 18735 1 19 . 1 1 128 128 SER CA C 128 57.800 57.800 61.272 -3.472 17717 18736 1 19 . 1 1 128 128 SER CB C 128 63.860 63.860 63.014 0.846 17717 18737 1 19 . 1 1 128 128 SER H H 128 8.580 8.580 8.513 0.067 17717 18738 1 19 . 1 1 129 129 ALA N N 129 132.300 132.300 125.155 7.145 17717 18739 1 19 . 1 1 129 129 ALA CA C 129 53.505 53.505 54.057 -0.552 17717 18740 1 19 . 1 1 129 129 ALA CB C 129 18.600 18.600 18.692 -0.092 17717 18741 1 19 . 1 1 129 129 ALA H H 129 7.980 7.980 7.777 0.203 17717 18742 1 19 . 1 1 130 130 ARG N N 130 119.553 119.553 117.106 2.447 17717 18743 1 19 . 1 1 130 130 ARG HA H 130 4.274 4.274 4.563 -0.289 17717 18744 1 19 . 1 1 130 130 ARG CA C 130 55.300 55.300 55.934 -0.633 17717 18745 1 19 . 1 1 130 130 ARG CB C 130 31.600 31.600 31.060 0.540 17717 18746 1 19 . 1 1 130 130 ARG H H 130 8.150 8.150 7.565 0.585 17717 18747 1 19 . 1 1 131 131 GLN N N 131 117.960 117.960 118.549 -0.589 17717 18748 1 19 . 1 1 131 131 GLN HA H 131 4.350 4.350 4.490 -0.140 17717 18749 1 19 . 1 1 131 131 GLN CA C 131 56.066 56.066 56.213 -0.147 17717 18750 1 19 . 1 1 131 131 GLN CB C 131 29.000 29.000 28.838 0.162 17717 18751 1 19 . 1 1 131 131 GLN H H 131 7.880 7.880 7.466 0.414 17717 18752 1 19 . 1 1 132 132 LYS N N 132 121.357 121.357 120.693 0.664 17717 18753 1 19 . 1 1 132 132 LYS HA H 132 4.136 4.136 4.356 -0.220 17717 18754 1 19 . 1 1 132 132 LYS CA C 132 56.800 56.800 56.889 -0.089 17717 18755 1 19 . 1 1 132 132 LYS CB C 132 31.100 31.100 31.846 -0.746 17717 18756 1 19 . 1 1 132 132 LYS H H 132 7.892 7.892 8.558 -0.666 17717 18757 1 19 . 1 1 133 133 LEU N N 133 120.620 120.620 116.836 3.784 17717 18758 1 19 . 1 1 133 133 LEU HA H 133 4.480 4.480 4.550 -0.070 17717 18759 1 19 . 1 1 133 133 LEU CA C 133 53.900 53.900 54.063 -0.163 17717 18760 1 19 . 1 1 133 133 LEU CB C 133 41.230 41.230 43.145 -1.915 17717 18761 1 19 . 1 1 133 133 LEU H H 133 8.320 8.320 7.394 0.926 17717 18762 1 19 . 1 1 134 134 GLN N N 134 121.147 121.147 121.525 -0.378 17717 18763 1 19 . 1 1 134 134 GLN HA H 134 4.222 4.222 4.291 -0.069 17717 18764 1 19 . 1 1 134 134 GLN CA C 134 56.146 56.146 56.129 0.017 17717 18765 1 19 . 1 1 134 134 GLN CB C 134 31.813 31.813 28.667 3.146 17717 18766 1 19 . 1 1 134 134 GLN H H 134 7.870 7.870 8.110 -0.240 17717 18767 1 19 . 1 1 135 135 GLU N N 135 121.678 121.678 122.388 -0.710 17717 18768 1 19 . 1 1 135 135 GLU HA H 135 4.136 4.136 3.872 0.264 17717 18769 1 19 . 1 1 135 135 GLU CA C 135 55.904 55.904 57.161 -1.257 17717 18770 1 19 . 1 1 135 135 GLU CB C 135 28.953 28.953 29.918 -0.965 17717 18771 1 19 . 1 1 135 135 GLU H H 135 7.892 7.892 8.733 -0.841 17717 18772 1 19 . 1 1 136 136 LEU N N 136 121.357 121.357 118.099 3.258 17717 18773 1 19 . 1 1 136 136 LEU HA H 136 4.351 4.351 4.031 0.320 17717 18774 1 19 . 1 1 136 136 LEU CA C 136 54.765 54.765 56.537 -1.772 17717 18775 1 19 . 1 1 136 136 LEU CB C 136 41.823 41.823 40.641 1.182 17717 18776 1 19 . 1 1 136 136 LEU H H 136 7.962 7.962 8.571 -0.609 17717 18777 1 19 . 1 1 137 137 GLN N N 137 124.866 124.866 121.041 3.825 17717 18778 1 19 . 1 1 137 137 GLN HA H 137 4.222 4.222 5.094 -0.872 17717 18779 1 19 . 1 1 137 137 GLN CA C 137 56.300 56.300 55.303 0.997 17717 18780 1 19 . 1 1 137 137 GLN CB C 137 28.000 28.000 32.406 -4.406 17717 18781 1 19 . 1 1 137 137 GLN H H 137 7.938 7.938 8.449 -0.511 17717 18782 1 19 . 1 1 138 138 GLY N N 138 111.054 111.054 109.761 1.293 17717 18783 1 19 . 1 1 138 138 GLY CA C 138 44.800 44.800 45.737 -0.937 17717 18784 1 19 . 1 1 138 138 GLY H H 138 8.410 8.410 8.485 -0.075 17717 18785 1 19 . 1 1 139 139 ARG N N 139 116.366 116.366 123.927 -7.561 17717 18786 1 19 . 1 1 139 139 ARG HA H 139 4.230 4.230 4.340 -0.110 17717 18787 1 19 . 1 1 139 139 ARG CA C 139 56.300 56.300 56.514 -0.214 17717 18788 1 19 . 1 1 139 139 ARG CB C 139 28.700 28.700 30.595 -1.895 17717 18789 1 19 . 1 1 139 139 ARG H H 139 8.080 8.080 8.603 -0.523 17717 18790 1 19 . 1 1 140 140 LEU N N 140 126.460 126.460 116.724 9.736 17717 18791 1 19 . 1 1 140 140 LEU HA H 140 4.220 4.220 3.912 0.308 17717 18792 1 19 . 1 1 140 140 LEU CA C 140 56.500 56.500 56.244 0.256 17717 18793 1 19 . 1 1 140 140 LEU CB C 140 41.496 41.496 41.186 0.310 17717 18794 1 19 . 1 1 140 140 LEU H H 140 7.740 7.740 8.129 -0.389 17717 18795 1 19 . 1 1 141 141 SER N N 141 119.190 119.190 115.411 3.779 17717 18796 1 19 . 1 1 141 141 SER HA H 141 4.390 4.390 4.422 -0.032 17717 18797 1 19 . 1 1 141 141 SER CA C 141 56.384 56.384 58.605 -2.220 17717 18798 1 19 . 1 1 141 141 SER CB C 141 62.996 62.996 63.733 -0.737 17717 18799 1 19 . 1 1 141 141 SER H H 141 8.430 8.430 7.966 0.464 17717 18800 1 19 . 1 1 142 142 PRO CA C 142 64.840 64.840 64.663 0.177 17717 18801 1 19 . 1 1 142 142 PRO CB C 142 31.345 31.345 31.696 -0.351 17717 18802 1 19 . 1 1 143 143 VAL N N 143 116.900 116.900 116.902 -0.002 17717 18803 1 19 . 1 1 143 143 VAL HA H 143 4.100 4.100 4.250 -0.150 17717 18804 1 19 . 1 1 143 143 VAL CA C 143 63.800 63.800 64.261 -0.461 17717 18805 1 19 . 1 1 143 143 VAL CB C 143 31.400 31.400 30.067 1.333 17717 18806 1 19 . 1 1 143 143 VAL H H 143 7.780 7.780 7.721 0.059 17717 18807 1 19 . 1 1 144 144 ALA N N 144 125.700 125.700 122.211 3.489 17717 18808 1 19 . 1 1 144 144 ALA HA H 144 4.390 4.390 4.126 0.264 17717 18809 1 19 . 1 1 144 144 ALA CA C 144 54.200 54.200 55.025 -0.825 17717 18810 1 19 . 1 1 144 144 ALA CB C 144 18.361 18.361 18.379 -0.018 17717 18811 1 19 . 1 1 144 144 ALA H H 144 7.970 7.970 7.600 0.370 17717 18812 1 19 . 1 1 145 145 GLU N N 145 120.000 120.000 118.264 1.736 17717 18813 1 19 . 1 1 145 145 GLU HA H 145 3.920 3.920 3.998 -0.078 17717 18814 1 19 . 1 1 145 145 GLU CA C 145 59.400 59.400 59.398 0.002 17717 18815 1 19 . 1 1 145 145 GLU CB C 145 28.400 28.400 29.140 -0.740 17717 18816 1 19 . 1 1 145 145 GLU H H 145 8.600 8.600 8.251 0.349 17717 18817 1 19 . 1 1 146 146 GLU N N 146 119.022 119.022 119.628 -0.606 17717 18818 1 19 . 1 1 146 146 GLU HA H 146 4.050 4.050 4.122 -0.072 17717 18819 1 19 . 1 1 146 146 GLU CA C 146 58.422 58.422 59.145 -0.723 17717 18820 1 19 . 1 1 146 146 GLU CB C 146 28.172 28.172 29.341 -1.169 17717 18821 1 19 . 1 1 146 146 GLU H H 146 8.070 8.070 7.657 0.413 17717 18822 1 19 . 1 1 147 147 PHE N N 147 117.023 117.023 121.392 -4.369 17717 18823 1 19 . 1 1 147 147 PHE HA H 147 4.523 4.523 4.196 0.327 17717 18824 1 19 . 1 1 147 147 PHE CA C 147 58.592 58.592 60.438 -1.846 17717 18825 1 19 . 1 1 147 147 PHE CB C 147 40.344 40.344 39.274 1.070 17717 18826 1 19 . 1 1 147 147 PHE H H 147 8.161 8.161 8.386 -0.225 17717 18827 1 19 . 1 1 148 148 ARG N N 148 120.085 120.085 118.936 1.149 17717 18828 1 19 . 1 1 148 148 ARG HA H 148 4.136 4.136 3.509 0.627 17717 18829 1 19 . 1 1 148 148 ARG CA C 148 57.700 57.700 59.516 -1.816 17717 18830 1 19 . 1 1 148 148 ARG CB C 148 30.400 30.400 29.831 0.569 17717 18831 1 19 . 1 1 148 148 ARG H H 148 8.325 8.325 8.363 -0.038 17717 18832 1 19 . 1 1 149 149 ASP N N 149 118.530 118.530 119.005 -0.475 17717 18833 1 19 . 1 1 149 149 ASP HA H 149 4.310 4.310 4.463 -0.153 17717 18834 1 19 . 1 1 149 149 ASP CA C 149 54.600 54.600 57.199 -2.599 17717 18835 1 19 . 1 1 149 149 ASP CB C 149 41.000 41.000 40.988 0.012 17717 18836 1 19 . 1 1 149 149 ASP H H 149 8.270 8.270 7.658 0.612 17717 18837 1 19 . 1 1 150 150 ARG N N 150 126.460 126.460 120.089 6.371 17717 18838 1 19 . 1 1 150 150 ARG HA H 150 4.180 4.180 4.229 -0.049 17717 18839 1 19 . 1 1 150 150 ARG CA C 150 56.850 56.850 57.805 -0.955 17717 18840 1 19 . 1 1 150 150 ARG CB C 150 30.451 30.451 30.058 0.393 17717 18841 1 19 . 1 1 150 150 ARG H H 150 7.860 7.860 8.340 -0.480 17717 18842 1 19 . 1 1 152 152 ARG CA C 152 55.764 55.764 59.849 -4.085 17717 18843 1 19 . 1 1 152 152 ARG CB C 152 30.014 30.014 30.270 -0.256 17717 18844 1 19 . 1 1 153 153 THR N N 153 115.832 115.832 112.882 2.950 17717 18845 1 19 . 1 1 153 153 THR HA H 153 4.350 4.350 3.983 0.367 17717 18846 1 19 . 1 1 153 153 THR CA C 153 61.200 61.200 66.190 -4.990 17717 18847 1 19 . 1 1 153 153 THR CB C 153 69.400 69.400 68.082 1.318 17717 18848 1 19 . 1 1 153 153 THR H H 153 8.170 8.170 8.326 -0.156 17717 18849 1 19 . 1 1 154 154 HIS N N 154 129.120 129.120 123.356 5.764 17717 18850 1 19 . 1 1 154 154 HIS HA H 154 4.650 4.650 4.182 0.468 17717 18851 1 19 . 1 1 154 154 HIS CA C 154 56.800 56.800 59.217 -2.417 17717 18852 1 19 . 1 1 154 154 HIS CB C 154 30.400 30.400 29.301 1.099 17717 18853 1 19 . 1 1 154 154 HIS H H 154 7.950 7.950 7.790 0.160 17717 18854 1 19 . 1 1 155 155 VAL N N 155 120.620 120.620 117.993 2.627 17717 18855 1 19 . 1 1 155 155 VAL HA H 155 4.012 4.012 3.365 0.647 17717 18856 1 19 . 1 1 155 155 VAL CA C 155 62.300 62.300 65.406 -3.106 17717 18857 1 19 . 1 1 155 155 VAL CB C 155 31.600 31.600 30.486 1.114 17717 18858 1 19 . 1 1 155 155 VAL H H 155 7.910 7.910 7.311 0.599 17717 18859 1 19 . 1 1 156 156 ASP N N 156 121.147 121.147 120.795 0.352 17717 18860 1 19 . 1 1 156 156 ASP HA H 156 4.440 4.440 4.257 0.183 17717 18861 1 19 . 1 1 156 156 ASP CA C 156 57.384 57.384 57.995 -0.611 17717 18862 1 19 . 1 1 156 156 ASP CB C 156 40.140 40.140 40.755 -0.615 17717 18863 1 19 . 1 1 156 156 ASP H H 156 8.100 8.100 8.403 -0.303 17717 18864 1 19 . 1 1 157 157 SER N N 157 116.366 116.366 116.636 -0.270 17717 18865 1 19 . 1 1 157 157 SER HA H 157 4.220 4.220 4.102 0.118 17717 18866 1 19 . 1 1 157 157 SER CA C 157 61.500 61.500 61.423 0.077 17717 18867 1 19 . 1 1 157 157 SER CB C 157 62.500 62.500 63.227 -0.727 17717 18868 1 19 . 1 1 157 157 SER H H 157 8.700 8.700 8.094 0.606 17717 18869 1 19 . 1 1 158 158 LEU N N 158 123.272 123.272 123.574 -0.302 17717 18870 1 19 . 1 1 158 158 LEU HA H 158 4.520 4.520 4.274 0.246 17717 18871 1 19 . 1 1 158 158 LEU CA C 158 57.140 57.140 58.345 -1.205 17717 18872 1 19 . 1 1 158 158 LEU CB C 158 40.900 40.900 41.928 -1.028 17717 18873 1 19 . 1 1 158 158 LEU H H 158 7.790 7.790 7.918 -0.128 17717 18874 1 19 . 1 1 159 159 ARG N N 159 119.553 119.553 116.606 2.947 17717 18875 1 19 . 1 1 159 159 ARG HA H 159 4.530 4.530 4.075 0.455 17717 18876 1 19 . 1 1 159 159 ARG CA C 159 56.800 56.800 59.114 -2.314 17717 18877 1 19 . 1 1 159 159 ARG CB C 159 29.000 29.000 30.264 -1.264 17717 18878 1 19 . 1 1 159 159 ARG H H 159 8.650 8.650 8.272 0.378 17717 18879 1 19 . 1 1 160 160 THR N N 160 115.304 115.304 116.648 -1.344 17717 18880 1 19 . 1 1 160 160 THR HA H 160 3.880 3.880 4.076 -0.196 17717 18881 1 19 . 1 1 160 160 THR CA C 160 65.300 65.300 66.129 -0.829 17717 18882 1 19 . 1 1 160 160 THR CB C 160 68.900 68.900 68.567 0.333 17717 18883 1 19 . 1 1 160 160 THR H H 160 8.100 8.100 7.991 0.109 17717 18884 1 19 . 1 1 161 161 GLN N N 161 122.440 122.440 118.784 3.656 17717 18885 1 19 . 1 1 161 161 GLN HA H 161 4.220 4.220 4.397 -0.177 17717 18886 1 19 . 1 1 161 161 GLN CA C 161 56.900 56.900 58.758 -1.858 17717 18887 1 19 . 1 1 161 161 GLN CB C 161 26.160 26.160 29.278 -3.118 17717 18888 1 19 . 1 1 161 161 GLN H H 161 8.070 8.070 7.936 0.134 17717 18889 1 19 . 1 1 162 162 LEU N N 162 115.398 115.398 120.543 -5.145 17717 18890 1 19 . 1 1 162 162 LEU HA H 162 4.220 4.220 4.414 -0.194 17717 18891 1 19 . 1 1 162 162 LEU CA C 162 56.500 56.500 56.384 0.116 17717 18892 1 19 . 1 1 162 162 LEU CB C 162 41.000 41.000 41.006 -0.006 17717 18893 1 19 . 1 1 162 162 LEU H H 162 7.980 7.980 7.828 0.152 17717 18894 1 19 . 1 1 163 163 ALA N N 163 122.210 122.210 123.316 -1.106 17717 18895 1 19 . 1 1 163 163 ALA HA H 163 4.260 4.260 4.070 0.190 17717 18896 1 19 . 1 1 163 163 ALA CA C 163 56.560 56.560 57.181 -0.621 17717 18897 1 19 . 1 1 163 163 ALA CB C 163 15.000 15.000 16.058 -1.058 17717 18898 1 19 . 1 1 163 163 ALA H H 163 7.460 7.460 8.338 -0.878 17717 18899 1 19 . 1 1 164 164 PRO CA C 164 62.800 62.800 65.607 -2.807 17717 18900 1 19 . 1 1 164 164 PRO CB C 164 31.500 31.500 31.289 0.211 17717 18901 1 19 . 1 1 165 165 HIS N N 165 120.080 120.080 116.877 3.203 17717 18902 1 19 . 1 1 165 165 HIS HA H 165 4.390 4.390 4.261 0.129 17717 18903 1 19 . 1 1 165 165 HIS CA C 165 56.000 56.000 60.321 -4.321 17717 18904 1 19 . 1 1 165 165 HIS CB C 165 28.400 28.400 29.483 -1.083 17717 18905 1 19 . 1 1 165 165 HIS H H 165 8.060 8.060 7.873 0.187 17717 18906 1 19 . 1 1 166 166 SER N N 166 116.366 116.366 115.012 1.354 17717 18907 1 19 . 1 1 166 166 SER HA H 166 4.300 4.300 4.209 0.091 17717 18908 1 19 . 1 1 166 166 SER CA C 166 61.200 61.200 61.847 -0.647 17717 18909 1 19 . 1 1 166 166 SER CB C 166 63.000 63.000 63.073 -0.073 17717 18910 1 19 . 1 1 166 166 SER H H 166 8.040 8.040 8.518 -0.478 17717 18911 1 19 . 1 1 167 167 GLU N N 167 121.678 121.678 120.717 0.961 17717 18912 1 19 . 1 1 167 167 GLU HA H 167 3.922 3.922 4.059 -0.137 17717 18913 1 19 . 1 1 167 167 GLU CA C 167 62.800 62.800 59.114 3.686 17717 18914 1 19 . 1 1 167 167 GLU CB C 167 31.100 31.100 29.484 1.616 17717 18915 1 19 . 1 1 167 167 GLU H H 167 7.760 7.760 8.045 -0.285 17717 18916 1 19 . 1 1 168 168 GLN N N 168 121.147 121.147 119.406 1.741 17717 18917 1 19 . 1 1 168 168 GLN HA H 168 4.320 4.320 4.096 0.224 17717 18918 1 19 . 1 1 168 168 GLN CA C 168 55.300 55.300 58.868 -3.568 17717 18919 1 19 . 1 1 168 168 GLN CB C 168 28.200 28.200 28.963 -0.763 17717 18920 1 19 . 1 1 168 168 GLN H H 168 8.450 8.450 8.443 0.007 17717 18921 1 19 . 1 1 170 170 ARG CA C 170 58.370 58.370 59.200 -0.830 17717 18922 1 19 . 1 1 170 170 ARG CB C 170 28.900 28.900 30.140 -1.240 17717 18923 1 19 . 1 1 171 171 GLU N N 171 117.960 117.960 119.813 -1.853 17717 18924 1 19 . 1 1 171 171 GLU HA H 171 4.140 4.140 4.246 -0.106 17717 18925 1 19 . 1 1 171 171 GLU CA C 171 57.300 57.300 59.148 -1.848 17717 18926 1 19 . 1 1 171 171 GLU CB C 171 29.200 29.200 29.438 -0.238 17717 18927 1 19 . 1 1 171 171 GLU H H 171 7.730 7.730 7.624 0.106 17717 18928 1 19 . 1 1 172 172 SER N N 172 116.366 116.366 117.668 -1.302 17717 18929 1 19 . 1 1 172 172 SER HA H 172 4.270 4.270 4.164 0.106 17717 18930 1 19 . 1 1 172 172 SER CA C 172 58.000 58.000 62.401 -4.401 17717 18931 1 19 . 1 1 172 172 SER CB C 172 63.000 63.000 63.100 -0.100 17717 18932 1 19 . 1 1 172 172 SER H H 172 8.320 8.320 8.675 -0.355 17717 18933 1 19 . 1 1 173 173 LEU N N 173 124.866 124.866 120.820 4.046 17717 18934 1 19 . 1 1 173 173 LEU HA H 173 4.352 4.352 4.060 0.292 17717 18935 1 19 . 1 1 173 173 LEU CA C 173 54.540 54.540 57.722 -3.182 17717 18936 1 19 . 1 1 173 173 LEU CB C 173 41.400 41.400 41.542 -0.142 17717 18937 1 19 . 1 1 173 173 LEU H H 173 8.260 8.260 7.688 0.572 17717 18938 1 19 . 1 1 174 174 ALA N N 174 126.460 126.460 121.030 5.430 17717 18939 1 19 . 1 1 174 174 ALA HA H 174 4.270 4.270 3.831 0.439 17717 18940 1 19 . 1 1 174 174 ALA CA C 174 55.400 55.400 54.830 0.570 17717 18941 1 19 . 1 1 174 174 ALA CB C 174 17.200 17.200 18.068 -0.868 17717 18942 1 19 . 1 1 174 174 ALA H H 174 8.210 8.210 7.475 0.735 17717 18943 1 19 . 1 1 175 175 GLN N N 175 117.430 117.430 117.960 -0.530 17717 18944 1 19 . 1 1 175 175 GLN HA H 175 4.060 4.060 4.026 0.034 17717 18945 1 19 . 1 1 175 175 GLN CA C 175 58.600 58.600 58.289 0.311 17717 18946 1 19 . 1 1 175 175 GLN CB C 175 27.400 27.400 28.714 -1.314 17717 18947 1 19 . 1 1 175 175 GLN H H 175 8.450 8.450 7.978 0.472 17717 18948 1 19 . 1 1 176 176 ARG N N 176 119.550 119.550 120.645 -1.095 17717 18949 1 19 . 1 1 176 176 ARG HA H 176 4.180 4.180 3.973 0.207 17717 18950 1 19 . 1 1 176 176 ARG CA C 176 56.900 56.900 59.096 -2.196 17717 18951 1 19 . 1 1 176 176 ARG CB C 176 29.300 29.300 29.802 -0.502 17717 18952 1 19 . 1 1 176 176 ARG H H 176 8.070 8.070 8.129 -0.059 17717 18953 1 19 . 1 1 177 177 LEU N N 177 115.840 115.840 117.051 -1.211 17717 18954 1 19 . 1 1 177 177 LEU HA H 177 4.180 4.180 3.900 0.280 17717 18955 1 19 . 1 1 177 177 LEU CA C 177 56.900 56.900 58.035 -1.135 17717 18956 1 19 . 1 1 177 177 LEU CB C 177 40.100 40.100 40.666 -0.566 17717 18957 1 19 . 1 1 177 177 LEU H H 177 8.330 8.330 7.512 0.818 17717 18958 1 19 . 1 1 178 178 ALA N N 178 121.220 121.220 120.810 0.410 17717 18959 1 19 . 1 1 178 178 ALA HA H 178 3.880 3.880 3.983 -0.103 17717 18960 1 19 . 1 1 178 178 ALA CA C 178 54.600 54.600 54.717 -0.117 17717 18961 1 19 . 1 1 178 178 ALA CB C 178 16.900 16.900 17.927 -1.027 17717 18962 1 19 . 1 1 178 178 ALA H H 178 8.570 8.570 7.638 0.932 17717 18963 1 19 . 1 1 179 179 GLU N N 179 118.490 118.490 119.892 -1.402 17717 18964 1 19 . 1 1 179 179 GLU HA H 179 4.180 4.180 4.051 0.129 17717 18965 1 19 . 1 1 179 179 GLU CA C 179 56.600 56.600 59.082 -2.482 17717 18966 1 19 . 1 1 179 179 GLU CB C 179 29.000 29.000 29.433 -0.433 17717 18967 1 19 . 1 1 179 179 GLU H H 179 7.680 7.680 7.870 -0.190 17717 18968 1 19 . 1 1 180 180 LEU N N 180 117.730 117.730 116.660 1.070 17717 18969 1 19 . 1 1 180 180 LEU HA H 180 4.265 4.265 4.061 0.204 17717 18970 1 19 . 1 1 180 180 LEU CA C 180 55.020 55.020 57.053 -2.033 17717 18971 1 19 . 1 1 180 180 LEU CB C 180 41.100 41.100 41.523 -0.423 17717 18972 1 19 . 1 1 180 180 LEU H H 180 7.680 7.680 7.289 0.391 17717 18973 1 19 . 1 1 181 181 LYS N N 181 117.400 117.400 117.493 -0.093 17717 18974 1 19 . 1 1 181 181 LYS HA H 181 4.480 4.480 3.999 0.481 17717 18975 1 19 . 1 1 181 181 LYS CA C 181 61.900 61.900 58.053 3.847 17717 18976 1 19 . 1 1 181 181 LYS CB C 181 31.800 31.800 32.875 -1.075 17717 18977 1 19 . 1 1 181 181 LYS H H 181 7.510 7.510 7.618 -0.108 17717 18978 1 19 . 1 1 182 182 SER N N 182 114.010 114.010 112.585 1.425 17717 18979 1 19 . 1 1 182 182 SER HA H 182 4.350 4.350 4.282 0.068 17717 18980 1 19 . 1 1 182 182 SER CA C 182 58.000 58.000 59.474 -1.474 17717 18981 1 19 . 1 1 182 182 SER CB C 182 63.300 63.300 64.109 -0.809 17717 18982 1 19 . 1 1 182 182 SER H H 182 7.920 7.920 7.985 -0.065 17717 18983 1 19 . 1 1 183 183 ASN N N 183 123.040 123.040 119.133 3.907 17717 18984 1 19 . 1 1 183 183 ASN HA H 183 4.310 4.310 4.643 -0.333 17717 18985 1 19 . 1 1 183 183 ASN CA C 183 55.115 55.115 52.975 2.140 17717 18986 1 19 . 1 1 183 183 ASN CB C 183 37.838 37.838 38.200 -0.361 17717 18987 1 19 . 1 1 183 183 ASN H H 183 8.250 8.250 7.846 0.404 17717 18988 1 19 . 1 1 184 184 PRO CA C 184 63.180 63.180 64.490 -1.310 17717 18989 1 19 . 1 1 184 184 PRO CB C 184 31.400 31.400 32.314 -0.914 17717 18990 1 19 . 1 1 185 185 THR N N 185 114.240 114.240 111.021 3.219 17717 18991 1 19 . 1 1 185 185 THR HA H 185 4.270 4.270 4.405 -0.135 17717 18992 1 19 . 1 1 185 185 THR CA C 185 61.200 61.200 61.400 -0.200 17717 18993 1 19 . 1 1 185 185 THR CB C 185 69.100 69.100 70.860 -1.760 17717 18994 1 19 . 1 1 185 185 THR H H 185 8.150 8.150 7.773 0.377 17717 18995 1 19 . 1 1 186 186 LEU N N 186 123.270 123.270 121.816 1.454 17717 18996 1 19 . 1 1 186 186 LEU HA H 186 4.350 4.350 4.539 -0.189 17717 18997 1 19 . 1 1 186 186 LEU CA C 186 55.000 55.000 55.266 -0.266 17717 18998 1 19 . 1 1 186 186 LEU CB C 186 41.000 41.000 43.372 -2.372 17717 18999 1 19 . 1 1 186 186 LEU H H 186 8.430 8.430 8.241 0.189 17717 19000 1 19 . 1 1 187 187 ASN N N 187 119.020 119.020 123.214 -4.194 17717 19001 1 19 . 1 1 187 187 ASN HA H 187 4.530 4.530 4.936 -0.406 17717 19002 1 19 . 1 1 187 187 ASN CA C 187 53.400 53.400 52.935 0.465 17717 19003 1 19 . 1 1 187 187 ASN CB C 187 37.900 37.900 39.470 -1.570 17717 19004 1 19 . 1 1 187 187 ASN H H 187 8.370 8.370 8.528 -0.158 17717 19005 1 19 . 1 1 188 188 GLU N N 188 123.270 123.270 123.246 0.024 17717 19006 1 19 . 1 1 188 188 GLU HA H 188 4.000 4.000 4.322 -0.322 17717 19007 1 19 . 1 1 188 188 GLU CA C 188 61.700 61.700 57.202 4.498 17717 19008 1 19 . 1 1 188 188 GLU CB C 188 32.100 32.100 28.422 3.679 17717 19009 1 19 . 1 1 188 188 GLU H H 188 7.870 7.870 9.003 -1.133 17717 19010 1 19 . 1 1 189 189 TYR N N 189 122.210 122.210 122.570 -0.360 17717 19011 1 19 . 1 1 189 189 TYR HA H 189 4.440 4.440 4.516 -0.076 17717 19012 1 19 . 1 1 189 189 TYR CA C 189 57.120 57.120 58.746 -1.626 17717 19013 1 19 . 1 1 189 189 TYR CB C 189 40.000 40.000 38.519 1.481 17717 19014 1 19 . 1 1 189 189 TYR H H 189 8.590 8.590 8.107 0.483 17717 19015 1 19 . 1 1 190 190 HIS N N 190 124.866 124.866 119.880 4.986 17717 19016 1 19 . 1 1 190 190 HIS HA H 190 4.780 4.780 4.625 0.155 17717 19017 1 19 . 1 1 190 190 HIS CA C 190 56.000 56.000 56.449 -0.449 17717 19018 1 19 . 1 1 190 190 HIS CB C 190 29.400 29.400 30.215 -0.815 17717 19019 1 19 . 1 1 190 190 HIS H H 190 8.420 8.420 8.629 -0.209 17717 19020 1 19 . 1 1 191 191 SER N N 191 117.429 117.429 113.192 4.237 17717 19021 1 19 . 1 1 191 191 SER HA H 191 4.140 4.140 4.497 -0.357 17717 19022 1 19 . 1 1 191 191 SER CA C 191 58.140 58.140 58.416 -0.276 17717 19023 1 19 . 1 1 191 191 SER CB C 191 63.140 63.140 63.697 -0.557 17717 19024 1 19 . 1 1 191 191 SER H H 191 8.270 8.270 7.955 0.315 17717 19025 1 19 . 1 1 192 192 SER N N 192 124.335 124.335 115.861 8.474 17717 19026 1 19 . 1 1 192 192 SER HA H 192 4.730 4.730 4.314 0.416 17717 19027 1 19 . 1 1 192 192 SER CA C 192 59.020 59.020 59.273 -0.253 17717 19028 1 19 . 1 1 192 192 SER CB C 192 63.000 63.000 63.613 -0.613 17717 19029 1 19 . 1 1 192 192 SER H H 192 8.010 8.010 7.392 0.618 17717 19030 1 19 . 1 1 193 193 ALA N N 193 125.930 125.930 127.220 -1.290 17717 19031 1 19 . 1 1 193 193 ALA HA H 193 4.310 4.310 4.465 -0.155 17717 19032 1 19 . 1 1 193 193 ALA CA C 193 52.300 52.300 52.744 -0.444 17717 19033 1 19 . 1 1 193 193 ALA CB C 193 18.000 18.000 20.245 -2.245 17717 19034 1 19 . 1 1 193 193 ALA H H 193 8.100 8.100 8.151 -0.051 17717 19035 1 19 . 1 1 194 194 LYS N N 194 126.460 126.460 119.968 6.492 17717 19036 1 19 . 1 1 194 194 LYS HA H 194 4.220 4.220 4.388 -0.168 17717 19037 1 19 . 1 1 194 194 LYS CA C 194 56.600 56.600 56.111 0.489 17717 19038 1 19 . 1 1 194 194 LYS CB C 194 33.000 33.000 33.971 -0.971 17717 19039 1 19 . 1 1 194 194 LYS H H 194 7.860 7.860 8.303 -0.443 17717 19040 1 19 . 1 1 195 195 SER N N 195 117.429 117.429 118.987 -1.558 17717 19041 1 19 . 1 1 195 195 SER HA H 195 4.430 4.430 4.255 0.175 17717 19042 1 19 . 1 1 195 195 SER CA C 195 58.499 58.499 59.307 -0.808 17717 19043 1 19 . 1 1 195 195 SER CB C 195 63.129 63.129 62.231 0.898 17717 19044 1 19 . 1 1 195 195 SER H H 195 8.240 8.240 8.803 -0.563 17717 19045 1 19 . 1 1 196 196 HIS N N 196 122.440 122.440 118.786 3.654 17717 19046 1 19 . 1 1 196 196 HIS HA H 196 4.222 4.222 4.117 0.105 17717 19047 1 19 . 1 1 196 196 HIS CA C 196 55.743 55.743 58.429 -2.686 17717 19048 1 19 . 1 1 196 196 HIS CB C 196 28.566 28.566 29.358 -0.792 17717 19049 1 19 . 1 1 196 196 HIS H H 196 8.044 8.044 8.943 -0.899 17717 19050 1 19 . 1 1 197 197 LEU N N 197 117.429 117.429 119.688 -2.259 17717 19051 1 19 . 1 1 197 197 LEU HA H 197 4.179 4.179 3.689 0.490 17717 19052 1 19 . 1 1 197 197 LEU CA C 197 54.540 54.540 58.121 -3.581 17717 19053 1 19 . 1 1 197 197 LEU CB C 197 40.040 40.040 41.572 -1.532 17717 19054 1 19 . 1 1 197 197 LEU H H 197 8.044 8.044 7.760 0.284 17717 19055 1 19 . 1 1 198 198 LYS N N 198 117.430 117.430 118.047 -0.617 17717 19056 1 19 . 1 1 198 198 LYS HA H 198 4.140 4.140 4.026 0.114 17717 19057 1 19 . 1 1 198 198 LYS CA C 198 57.600 57.600 58.861 -1.260 17717 19058 1 19 . 1 1 198 198 LYS CB C 198 32.000 32.000 31.886 0.114 17717 19059 1 19 . 1 1 198 198 LYS H H 198 7.510 7.510 7.849 -0.339 17717 19060 1 19 . 1 1 199 199 SER N N 199 114.315 114.315 115.937 -1.622 17717 19061 1 19 . 1 1 199 199 SER HA H 199 4.310 4.310 4.153 0.157 17717 19062 1 19 . 1 1 199 199 SER CA C 199 62.000 62.000 61.527 0.473 17717 19063 1 19 . 1 1 199 199 SER CB C 199 63.600 63.600 63.080 0.520 17717 19064 1 19 . 1 1 199 199 SER H H 199 7.930 7.930 8.212 -0.282 17717 19065 1 19 . 1 1 200 200 LEU N N 200 124.335 124.335 122.101 2.234 17717 19066 1 19 . 1 1 200 200 LEU HA H 200 4.260 4.260 4.465 -0.205 17717 19067 1 19 . 1 1 200 200 LEU CA C 200 55.200 55.200 57.423 -2.224 17717 19068 1 19 . 1 1 200 200 LEU CB C 200 41.200 41.200 41.843 -0.643 17717 19069 1 19 . 1 1 200 200 LEU H H 200 8.170 8.170 8.153 0.017 17717 19070 1 19 . 1 1 201 201 GLY N N 201 109.990 109.990 105.882 4.108 17717 19071 1 19 . 1 1 201 201 GLY CA C 201 44.700 44.700 47.036 -2.336 17717 19072 1 19 . 1 1 201 201 GLY H H 201 8.290 8.290 7.677 0.613 17717 19073 1 19 . 1 1 202 202 GLU N N 202 126.460 126.460 121.076 5.384 17717 19074 1 19 . 1 1 202 202 GLU HA H 202 4.220 4.220 4.103 0.117 17717 19075 1 19 . 1 1 202 202 GLU CA C 202 56.600 56.600 58.674 -2.074 17717 19076 1 19 . 1 1 202 202 GLU CB C 202 32.800 32.800 29.677 3.123 17717 19077 1 19 . 1 1 202 202 GLU H H 202 7.750 7.750 7.786 -0.036 17717 19078 1 19 . 1 1 203 203 LYS CA C 203 55.775 55.775 56.530 -0.755 17717 19079 1 19 . 1 1 203 203 LYS CB C 203 32.283 32.283 32.673 -0.390 17717 19080 1 19 . 1 1 204 204 ALA N N 204 125.390 125.390 121.484 3.906 17717 19081 1 19 . 1 1 204 204 ALA HA H 204 4.310 4.310 4.454 -0.144 17717 19082 1 19 . 1 1 204 204 ALA CA C 204 52.000 52.000 51.498 0.502 17717 19083 1 19 . 1 1 204 204 ALA CB C 204 18.400 18.400 20.080 -1.680 17717 19084 1 19 . 1 1 204 204 ALA H H 204 8.180 8.180 7.676 0.504 17717 19085 1 19 . 1 1 205 205 ARG N N 205 121.150 121.150 118.357 2.793 17717 19086 1 19 . 1 1 205 205 ARG HA H 205 4.270 4.270 4.263 0.007 17717 19087 1 19 . 1 1 205 205 ARG CA C 205 56.384 56.384 55.792 0.592 17717 19088 1 19 . 1 1 205 205 ARG CB C 205 29.193 29.193 29.285 -0.092 17717 19089 1 19 . 1 1 205 205 ARG H H 205 8.350 8.350 8.602 -0.252 17717 19090 1 19 . 1 1 206 206 PRO CA C 206 62.600 62.600 65.163 -2.563 17717 19091 1 19 . 1 1 206 206 PRO CB C 206 31.400 31.400 31.788 -0.388 17717 19092 1 19 . 1 1 207 207 ALA N N 207 125.400 125.400 120.186 5.214 17717 19093 1 19 . 1 1 207 207 ALA HA H 207 4.308 4.308 4.319 -0.011 17717 19094 1 19 . 1 1 207 207 ALA CA C 207 51.700 51.700 54.055 -2.355 17717 19095 1 19 . 1 1 207 207 ALA CB C 207 18.200 18.200 18.292 -0.092 17717 19096 1 19 . 1 1 207 207 ALA H H 207 8.400 8.400 8.097 0.303 17717 19097 1 19 . 1 1 208 208 LEU N N 208 121.680 121.680 117.996 3.684 17717 19098 1 19 . 1 1 208 208 LEU HA H 208 4.480 4.480 4.297 0.183 17717 19099 1 19 . 1 1 208 208 LEU CA C 208 55.100 55.100 55.757 -0.657 17717 19100 1 19 . 1 1 208 208 LEU CB C 208 41.200 41.200 42.230 -1.030 17717 19101 1 19 . 1 1 208 208 LEU H H 208 8.180 8.180 7.534 0.646 17717 19102 1 19 . 1 1 209 209 GLU N N 209 121.147 121.147 120.490 0.657 17717 19103 1 19 . 1 1 209 209 GLU HA H 209 4.180 4.180 3.916 0.264 17717 19104 1 19 . 1 1 209 209 GLU CA C 209 56.477 56.477 59.869 -3.392 17717 19105 1 19 . 1 1 209 209 GLU CB C 209 29.250 29.250 28.527 0.723 17717 19106 1 19 . 1 1 209 209 GLU H H 209 8.380 8.380 7.702 0.678 17717 19107 1 19 . 1 1 210 210 ASP N N 210 121.147 121.147 119.159 1.988 17717 19108 1 19 . 1 1 210 210 ASP HA H 210 4.260 4.260 4.498 -0.238 17717 19109 1 19 . 1 1 210 210 ASP CA C 210 55.000 55.000 57.062 -2.062 17717 19110 1 19 . 1 1 210 210 ASP CB C 210 37.200 37.200 40.825 -3.625 17717 19111 1 19 . 1 1 210 210 ASP H H 210 8.280 8.280 8.150 0.130 17717 19112 1 19 . 1 1 211 211 LEU N N 211 122.210 122.210 119.306 2.904 17717 19113 1 19 . 1 1 211 211 LEU HA H 211 4.220 4.220 4.239 -0.019 17717 19114 1 19 . 1 1 211 211 LEU CA C 211 57.400 57.400 56.304 1.096 17717 19115 1 19 . 1 1 211 211 LEU CB C 211 39.430 39.430 41.716 -2.286 17717 19116 1 19 . 1 1 211 211 LEU H H 211 8.640 8.640 7.541 1.099 17717 19117 1 19 . 1 1 212 212 ARG N N 212 119.550 119.550 118.445 1.105 17717 19118 1 19 . 1 1 212 212 ARG HA H 212 4.220 4.220 3.778 0.442 17717 19119 1 19 . 1 1 212 212 ARG CA C 212 57.400 57.400 59.377 -1.977 17717 19120 1 19 . 1 1 212 212 ARG CB C 212 29.600 29.600 30.408 -0.808 17717 19121 1 19 . 1 1 212 212 ARG H H 212 7.910 7.910 8.249 -0.339 17717 19122 1 19 . 1 1 213 213 HIS CA C 213 56.200 56.200 58.393 -2.193 17717 19123 1 19 . 1 1 213 213 HIS CB C 213 31.900 31.900 30.353 1.547 17717 19124 1 19 . 1 1 214 214 SER N N 214 116.366 116.366 115.828 0.538 17717 19125 1 19 . 1 1 214 214 SER HA H 214 4.265 4.265 4.456 -0.191 17717 19126 1 19 . 1 1 214 214 SER CA C 214 61.100 61.100 58.271 2.829 17717 19127 1 19 . 1 1 214 214 SER CB C 214 63.100 63.100 63.129 -0.029 17717 19128 1 19 . 1 1 214 214 SER H H 214 8.140 8.140 7.650 0.490 17717 19129 1 19 . 1 1 215 215 LEU N N 215 130.565 130.565 129.270 1.295 17717 19130 1 19 . 1 1 215 215 LEU HA H 215 4.730 4.730 4.583 0.147 17717 19131 1 19 . 1 1 215 215 LEU CA C 215 54.900 54.900 54.559 0.341 17717 19132 1 19 . 1 1 215 215 LEU CB C 215 42.000 42.000 43.276 -1.276 17717 19133 1 19 . 1 1 215 215 LEU H H 215 7.890 7.890 8.306 -0.416 17717 19134 1 20 . 1 1 2 2 GLU N N 2 121.678 121.678 122.062 -0.384 17717 19135 1 20 . 1 1 2 2 GLU HA H 2 4.488 4.488 4.157 0.331 17717 19136 1 20 . 1 1 2 2 GLU CA C 2 56.418 56.418 58.281 -1.863 17717 19137 1 20 . 1 1 2 2 GLU CB C 2 29.014 29.014 29.123 -0.109 17717 19138 1 20 . 1 1 2 2 GLU H H 2 8.276 8.276 8.780 -0.504 17717 19139 1 20 . 1 1 3 3 PRO CA C 3 62.923 62.923 63.239 -0.316 17717 19140 1 20 . 1 1 3 3 PRO CB C 3 31.547 31.547 32.108 -0.561 17717 19141 1 20 . 1 1 4 4 GLN N N 4 121.147 121.147 117.690 3.457 17717 19142 1 20 . 1 1 4 4 GLN HA H 4 4.349 4.349 4.092 0.257 17717 19143 1 20 . 1 1 4 4 GLN CA C 4 55.450 55.450 56.877 -1.427 17717 19144 1 20 . 1 1 4 4 GLN CB C 4 28.854 28.854 28.588 0.266 17717 19145 1 20 . 1 1 4 4 GLN H H 4 8.500 8.500 8.534 -0.034 17717 19146 1 20 . 1 1 5 5 SER N N 5 117.429 117.429 112.001 5.428 17717 19147 1 20 . 1 1 5 5 SER HA H 5 4.329 4.329 3.180 1.149 17717 19148 1 20 . 1 1 5 5 SER CA C 5 58.100 58.100 57.468 0.632 17717 19149 1 20 . 1 1 5 5 SER CB C 5 63.485 63.485 64.065 -0.580 17717 19150 1 20 . 1 1 5 5 SER H H 5 8.370 8.370 8.344 0.026 17717 19151 1 20 . 1 1 6 6 GLN N N 6 123.803 123.803 122.709 1.094 17717 19152 1 20 . 1 1 6 6 GLN CA C 6 56.330 56.330 59.769 -3.439 17717 19153 1 20 . 1 1 6 6 GLN CB C 6 28.800 28.800 28.953 -0.153 17717 19154 1 20 . 1 1 6 6 GLN H H 6 8.620 8.620 8.250 0.370 17717 19155 1 20 . 1 1 7 7 TRP N N 7 119.022 119.022 116.924 2.098 17717 19156 1 20 . 1 1 7 7 TRP HA H 7 4.394 4.394 4.434 -0.040 17717 19157 1 20 . 1 1 7 7 TRP CA C 7 59.800 59.800 59.181 0.619 17717 19158 1 20 . 1 1 7 7 TRP CB C 7 27.800 27.800 28.117 -0.317 17717 19159 1 20 . 1 1 7 7 TRP H H 7 7.970 7.970 8.354 -0.384 17717 19160 1 20 . 1 1 8 8 ASP N N 8 121.678 121.678 119.993 1.685 17717 19161 1 20 . 1 1 8 8 ASP HA H 8 4.409 4.409 4.384 0.025 17717 19162 1 20 . 1 1 8 8 ASP CA C 8 56.912 56.912 57.594 -0.682 17717 19163 1 20 . 1 1 8 8 ASP CB C 8 38.400 38.400 39.891 -1.491 17717 19164 1 20 . 1 1 8 8 ASP H H 8 8.440 8.440 6.964 1.476 17717 19165 1 20 . 1 1 9 9 LYS N N 9 120.616 120.616 120.639 -0.023 17717 19166 1 20 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.130 -0.040 17717 19167 1 20 . 1 1 9 9 LYS CA C 9 58.277 58.277 58.886 -0.609 17717 19168 1 20 . 1 1 9 9 LYS CB C 9 31.550 31.550 31.862 -0.312 17717 19169 1 20 . 1 1 9 9 LYS H H 9 7.830 7.830 7.243 0.587 17717 19170 1 20 . 1 1 10 10 VAL N N 10 118.491 118.491 115.505 2.986 17717 19171 1 20 . 1 1 10 10 VAL HA H 10 3.830 3.830 4.153 -0.323 17717 19172 1 20 . 1 1 10 10 VAL CA C 10 65.630 65.630 66.880 -1.250 17717 19173 1 20 . 1 1 10 10 VAL CB C 10 31.300 31.300 31.219 0.081 17717 19174 1 20 . 1 1 10 10 VAL H H 10 7.160 7.160 8.170 -1.010 17717 19175 1 20 . 1 1 11 11 LYS N N 11 122.210 122.210 118.807 3.403 17717 19176 1 20 . 1 1 11 11 LYS HA H 11 3.880 3.880 3.896 -0.016 17717 19177 1 20 . 1 1 11 11 LYS CA C 11 59.460 59.460 59.280 0.180 17717 19178 1 20 . 1 1 11 11 LYS CB C 11 31.200 31.200 32.065 -0.865 17717 19179 1 20 . 1 1 11 11 LYS H H 11 8.660 8.660 7.841 0.819 17717 19180 1 20 . 1 1 12 12 ASP N N 12 119.553 119.553 120.985 -1.432 17717 19181 1 20 . 1 1 12 12 ASP HA H 12 4.140 4.140 4.371 -0.231 17717 19182 1 20 . 1 1 12 12 ASP CA C 12 57.381 57.381 57.191 0.190 17717 19183 1 20 . 1 1 12 12 ASP CB C 12 39.800 39.800 40.842 -1.042 17717 19184 1 20 . 1 1 12 12 ASP H H 12 7.790 7.790 7.780 0.010 17717 19185 1 20 . 1 1 13 13 PHE N N 13 116.500 116.500 118.639 -2.139 17717 19186 1 20 . 1 1 13 13 PHE HA H 13 4.690 4.690 4.149 0.541 17717 19187 1 20 . 1 1 13 13 PHE CA C 13 58.662 58.662 60.462 -1.800 17717 19188 1 20 . 1 1 13 13 PHE CB C 13 38.700 38.700 37.790 0.910 17717 19189 1 20 . 1 1 13 13 PHE H H 13 7.680 7.680 7.771 -0.091 17717 19190 1 20 . 1 1 14 14 ALA N N 14 122.209 122.209 122.790 -0.581 17717 19191 1 20 . 1 1 14 14 ALA HA H 14 4.008 4.008 3.629 0.379 17717 19192 1 20 . 1 1 14 14 ALA CA C 14 54.550 54.550 54.728 -0.178 17717 19193 1 20 . 1 1 14 14 ALA CB C 14 17.250 17.250 17.879 -0.629 17717 19194 1 20 . 1 1 14 14 ALA H H 14 8.760 8.760 7.263 1.497 17717 19195 1 20 . 1 1 15 15 ASN N N 15 119.553 119.553 115.769 3.784 17717 19196 1 20 . 1 1 15 15 ASN HA H 15 4.520 4.520 4.370 0.150 17717 19197 1 20 . 1 1 15 15 ASN CA C 15 56.084 56.084 55.193 0.891 17717 19198 1 20 . 1 1 15 15 ASN CB C 15 38.544 38.544 38.485 0.059 17717 19199 1 20 . 1 1 15 15 ASN H H 15 8.930 8.930 7.518 1.412 17717 19200 1 20 . 1 1 16 16 VAL N N 16 116.897 116.897 121.567 -4.670 17717 19201 1 20 . 1 1 16 16 VAL HA H 16 3.590 3.590 3.608 -0.018 17717 19202 1 20 . 1 1 16 16 VAL CA C 16 64.600 64.600 67.759 -3.159 17717 19203 1 20 . 1 1 16 16 VAL CB C 16 31.800 31.800 31.697 0.103 17717 19204 1 20 . 1 1 16 16 VAL H H 16 7.870 7.870 7.538 0.332 17717 19205 1 20 . 1 1 17 17 TYR N N 17 112.116 112.116 117.450 -5.334 17717 19206 1 20 . 1 1 17 17 TYR HA H 17 4.751 4.751 4.385 0.366 17717 19207 1 20 . 1 1 17 17 TYR CA C 17 59.040 59.040 60.645 -1.605 17717 19208 1 20 . 1 1 17 17 TYR CB C 17 39.060 39.060 37.161 1.899 17717 19209 1 20 . 1 1 17 17 TYR H H 17 8.000 8.000 8.362 -0.362 17717 19210 1 20 . 1 1 18 18 VAL N N 18 114.241 114.241 120.973 -6.732 17717 19211 1 20 . 1 1 18 18 VAL HA H 18 4.220 4.220 3.401 0.819 17717 19212 1 20 . 1 1 18 18 VAL CA C 18 63.520 63.520 66.727 -3.207 17717 19213 1 20 . 1 1 18 18 VAL CB C 18 31.128 31.128 31.410 -0.282 17717 19214 1 20 . 1 1 18 18 VAL H H 18 7.600 7.600 6.813 0.787 17717 19215 1 20 . 1 1 19 19 ASP N N 19 123.272 123.272 119.761 3.511 17717 19216 1 20 . 1 1 19 19 ASP HA H 19 4.523 4.523 4.365 0.158 17717 19217 1 20 . 1 1 19 19 ASP CA C 19 56.445 56.445 57.384 -0.939 17717 19218 1 20 . 1 1 19 19 ASP CB C 19 38.700 38.700 40.971 -2.271 17717 19219 1 20 . 1 1 19 19 ASP H H 19 8.890 8.890 8.143 0.747 17717 19220 1 20 . 1 1 20 20 ALA N N 20 118.491 118.491 122.591 -4.100 17717 19221 1 20 . 1 1 20 20 ALA HA H 20 4.230 4.230 4.293 -0.063 17717 19222 1 20 . 1 1 20 20 ALA CA C 20 54.100 54.100 55.316 -1.216 17717 19223 1 20 . 1 1 20 20 ALA CB C 20 18.760 18.760 19.042 -0.282 17717 19224 1 20 . 1 1 20 20 ALA H H 20 6.630 6.630 7.584 -0.954 17717 19225 1 20 . 1 1 21 21 VAL N N 21 116.897 116.897 116.976 -0.079 17717 19226 1 20 . 1 1 21 21 VAL HA H 21 3.664 3.664 3.851 -0.187 17717 19227 1 20 . 1 1 21 21 VAL CA C 21 66.200 66.200 65.925 0.275 17717 19228 1 20 . 1 1 21 21 VAL CB C 21 30.460 30.460 31.749 -1.289 17717 19229 1 20 . 1 1 21 21 VAL H H 21 7.410 7.410 7.733 -0.323 17717 19230 1 20 . 1 1 22 22 LYS N N 22 121.147 121.147 118.283 2.864 17717 19231 1 20 . 1 1 22 22 LYS HA H 22 4.222 4.222 4.012 0.210 17717 19232 1 20 . 1 1 22 22 LYS CA C 22 59.300 59.300 59.081 0.219 17717 19233 1 20 . 1 1 22 22 LYS CB C 22 31.100 31.100 31.608 -0.508 17717 19234 1 20 . 1 1 22 22 LYS H H 22 8.180 8.180 8.372 -0.192 17717 19235 1 20 . 1 1 23 23 ASP N N 23 121.278 121.278 119.543 1.735 17717 19236 1 20 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.530 0.036 17717 19237 1 20 . 1 1 23 23 ASP CA C 23 56.300 56.300 56.872 -0.572 17717 19238 1 20 . 1 1 23 23 ASP CB C 23 38.800 38.800 40.689 -1.889 17717 19239 1 20 . 1 1 23 23 ASP H H 23 8.860 8.860 7.853 1.007 17717 19240 1 20 . 1 1 24 24 SER N N 24 118.491 118.491 115.216 3.275 17717 19241 1 20 . 1 1 24 24 SER HA H 24 4.132 4.132 3.521 0.611 17717 19242 1 20 . 1 1 24 24 SER CA C 24 61.600 61.600 60.767 0.833 17717 19243 1 20 . 1 1 24 24 SER CB C 24 62.442 62.442 62.418 0.024 17717 19244 1 20 . 1 1 24 24 SER H H 24 7.950 7.950 7.925 0.025 17717 19245 1 20 . 1 1 25 25 GLY N N 25 108.377 108.377 110.503 -2.126 17717 19246 1 20 . 1 1 25 25 GLY CA C 25 44.400 44.400 46.671 -2.271 17717 19247 1 20 . 1 1 25 25 GLY H H 25 7.560 7.560 7.757 -0.197 17717 19248 1 20 . 1 1 26 26 ARG N N 26 124.240 124.240 121.463 2.777 17717 19249 1 20 . 1 1 26 26 ARG HA H 26 4.303 4.303 4.172 0.131 17717 19250 1 20 . 1 1 26 26 ARG CA C 26 54.000 54.000 58.378 -4.378 17717 19251 1 20 . 1 1 26 26 ARG CB C 26 28.240 28.240 29.891 -1.651 17717 19252 1 20 . 1 1 26 26 ARG H H 26 8.200 8.200 7.709 0.491 17717 19253 1 20 . 1 1 27 27 ASP N N 27 121.678 121.678 119.228 2.450 17717 19254 1 20 . 1 1 27 27 ASP HA H 27 4.211 4.211 4.535 -0.324 17717 19255 1 20 . 1 1 27 27 ASP CA C 27 58.380 58.380 57.170 1.210 17717 19256 1 20 . 1 1 27 27 ASP CB C 27 40.400 40.400 41.611 -1.211 17717 19257 1 20 . 1 1 27 27 ASP H H 27 7.880 7.880 7.687 0.193 17717 19258 1 20 . 1 1 28 28 TYR N N 28 121.440 121.440 122.308 -0.868 17717 19259 1 20 . 1 1 28 28 TYR HA H 28 4.480 4.480 4.781 -0.301 17717 19260 1 20 . 1 1 28 28 TYR CA C 28 57.800 57.800 59.911 -2.111 17717 19261 1 20 . 1 1 28 28 TYR CB C 28 38.322 38.322 38.657 -0.335 17717 19262 1 20 . 1 1 28 28 TYR H H 28 8.020 8.020 8.269 -0.249 17717 19263 1 20 . 1 1 29 29 VAL N N 29 123.272 123.272 118.404 4.868 17717 19264 1 20 . 1 1 29 29 VAL HA H 29 4.040 4.040 3.437 0.603 17717 19265 1 20 . 1 1 29 29 VAL CA C 29 66.400 66.400 64.663 1.737 17717 19266 1 20 . 1 1 29 29 VAL CB C 29 30.500 30.500 30.935 -0.435 17717 19267 1 20 . 1 1 29 29 VAL H H 29 8.280 8.280 7.867 0.413 17717 19268 1 20 . 1 1 30 30 SER N N 30 117.429 117.429 115.971 1.458 17717 19269 1 20 . 1 1 30 30 SER HA H 30 4.000 4.000 4.052 -0.052 17717 19270 1 20 . 1 1 30 30 SER CA C 30 61.070 61.070 61.678 -0.608 17717 19271 1 20 . 1 1 30 30 SER CB C 30 62.000 62.000 62.891 -0.891 17717 19272 1 20 . 1 1 30 30 SER H H 30 8.930 8.930 7.526 1.404 17717 19273 1 20 . 1 1 31 31 GLN N N 31 121.147 121.147 121.408 -0.261 17717 19274 1 20 . 1 1 31 31 GLN HA H 31 4.136 4.136 4.059 0.077 17717 19275 1 20 . 1 1 31 31 GLN CA C 31 58.210 58.210 58.619 -0.409 17717 19276 1 20 . 1 1 31 31 GLN CB C 31 27.600 27.600 28.587 -0.987 17717 19277 1 20 . 1 1 31 31 GLN H H 31 7.740 7.740 7.506 0.234 17717 19278 1 20 . 1 1 32 32 PHE N N 32 117.429 117.429 119.787 -2.358 17717 19279 1 20 . 1 1 32 32 PHE HA H 32 4.020 4.020 3.999 0.021 17717 19280 1 20 . 1 1 32 32 PHE CA C 32 60.600 60.600 61.373 -0.773 17717 19281 1 20 . 1 1 32 32 PHE CB C 32 36.896 36.896 38.751 -1.855 17717 19282 1 20 . 1 1 32 32 PHE H H 32 7.200 7.200 7.687 -0.487 17717 19283 1 20 . 1 1 33 33 GLU N N 33 122.210 122.210 118.451 3.759 17717 19284 1 20 . 1 1 33 33 GLU HA H 33 4.769 4.769 3.619 1.150 17717 19285 1 20 . 1 1 33 33 GLU CA C 33 59.220 59.220 59.116 0.104 17717 19286 1 20 . 1 1 33 33 GLU CB C 33 29.240 29.240 29.002 0.239 17717 19287 1 20 . 1 1 33 33 GLU H H 33 8.160 8.160 7.624 0.536 17717 19288 1 20 . 1 1 34 34 SER N N 34 109.991 109.991 112.843 -2.852 17717 19289 1 20 . 1 1 34 34 SER HA H 34 4.309 4.309 4.251 0.058 17717 19290 1 20 . 1 1 34 34 SER CA C 34 58.240 58.240 60.465 -2.225 17717 19291 1 20 . 1 1 34 34 SER CB C 34 63.260 63.260 62.743 0.517 17717 19292 1 20 . 1 1 34 34 SER H H 34 7.890 7.890 7.277 0.613 17717 19293 1 20 . 1 1 35 35 SER N N 35 120.085 120.085 118.531 1.554 17717 19294 1 20 . 1 1 35 35 SER HA H 35 4.354 4.354 4.113 0.241 17717 19295 1 20 . 1 1 35 35 SER CA C 35 58.100 58.100 61.792 -3.692 17717 19296 1 20 . 1 1 35 35 SER CB C 35 64.398 64.398 62.774 1.624 17717 19297 1 20 . 1 1 35 35 SER H H 35 7.420 7.420 7.987 -0.567 17717 19298 1 20 . 1 1 36 36 SER N N 36 116.130 116.130 118.758 -2.628 17717 19299 1 20 . 1 1 36 36 SER HA H 36 4.350 4.350 4.116 0.234 17717 19300 1 20 . 1 1 36 36 SER CA C 36 58.600 58.600 61.896 -3.296 17717 19301 1 20 . 1 1 36 36 SER CB C 36 63.370 63.370 62.847 0.523 17717 19302 1 20 . 1 1 36 36 SER H H 36 8.100 8.100 7.525 0.575 17717 19303 1 20 . 1 1 37 37 LEU N N 37 121.678 121.678 121.568 0.110 17717 19304 1 20 . 1 1 37 37 LEU HA H 37 4.222 4.222 4.090 0.132 17717 19305 1 20 . 1 1 37 37 LEU CA C 37 56.400 56.400 57.055 -0.655 17717 19306 1 20 . 1 1 37 37 LEU CB C 37 41.200 41.200 41.827 -0.627 17717 19307 1 20 . 1 1 37 37 LEU H H 37 8.290 8.290 7.433 0.857 17717 19308 1 20 . 1 1 38 38 GLY N N 38 108.400 108.400 104.809 3.591 17717 19309 1 20 . 1 1 38 38 GLY CA C 38 46.220 46.220 46.578 -0.358 17717 19310 1 20 . 1 1 38 38 GLY H H 38 7.280 7.280 8.107 -0.827 17717 19311 1 20 . 1 1 39 39 GLN N N 39 120.920 120.920 122.505 -1.585 17717 19312 1 20 . 1 1 39 39 GLN HA H 39 4.092 4.092 4.089 0.003 17717 19313 1 20 . 1 1 39 39 GLN CA C 39 57.423 57.423 58.808 -1.385 17717 19314 1 20 . 1 1 39 39 GLN CB C 39 28.847 28.847 28.510 0.337 17717 19315 1 20 . 1 1 39 39 GLN H H 39 8.360 8.360 7.834 0.526 17717 19316 1 20 . 1 1 40 40 GLN N N 40 118.648 118.648 119.251 -0.603 17717 19317 1 20 . 1 1 40 40 GLN HA H 40 4.040 4.040 4.088 -0.048 17717 19318 1 20 . 1 1 40 40 GLN CA C 40 57.471 57.471 58.536 -1.065 17717 19319 1 20 . 1 1 40 40 GLN CB C 40 28.777 28.777 28.410 0.367 17717 19320 1 20 . 1 1 40 40 GLN H H 40 7.630 7.630 7.709 -0.079 17717 19321 1 20 . 1 1 41 41 LEU N N 41 116.800 116.800 121.884 -5.084 17717 19322 1 20 . 1 1 41 41 LEU HA H 41 4.222 4.222 4.001 0.221 17717 19323 1 20 . 1 1 41 41 LEU CA C 41 55.400 55.400 58.170 -2.770 17717 19324 1 20 . 1 1 41 41 LEU CB C 41 41.754 41.754 42.114 -0.360 17717 19325 1 20 . 1 1 41 41 LEU H H 41 8.010 8.010 7.871 0.139 17717 19326 1 20 . 1 1 42 42 ASN N N 42 115.840 115.840 117.487 -1.647 17717 19327 1 20 . 1 1 42 42 ASN HA H 42 4.485 4.485 4.407 0.078 17717 19328 1 20 . 1 1 42 42 ASN CA C 42 53.500 53.500 56.275 -2.775 17717 19329 1 20 . 1 1 42 42 ASN CB C 42 37.000 37.000 38.680 -1.680 17717 19330 1 20 . 1 1 42 42 ASN H H 42 7.840 7.840 7.730 0.110 17717 19331 1 20 . 1 1 43 43 LEU N N 43 118.490 118.490 121.044 -2.554 17717 19332 1 20 . 1 1 43 43 LEU HA H 43 4.480 4.480 4.275 0.205 17717 19333 1 20 . 1 1 43 43 LEU CA C 43 55.502 55.502 57.754 -2.252 17717 19334 1 20 . 1 1 43 43 LEU CB C 43 41.200 41.200 41.127 0.073 17717 19335 1 20 . 1 1 43 43 LEU H H 43 9.670 9.670 8.078 1.592 17717 19336 1 20 . 1 1 44 44 ASN N N 44 119.553 119.553 117.034 2.519 17717 19337 1 20 . 1 1 44 44 ASN HA H 44 4.520 4.520 4.656 -0.136 17717 19338 1 20 . 1 1 44 44 ASN CA C 44 52.770 52.770 56.451 -3.681 17717 19339 1 20 . 1 1 44 44 ASN CB C 44 36.200 36.200 38.376 -2.176 17717 19340 1 20 . 1 1 44 44 ASN H H 44 8.950 8.950 8.144 0.806 17717 19341 1 20 . 1 1 45 45 LEU N N 45 119.553 119.553 118.003 1.550 17717 19342 1 20 . 1 1 45 45 LEU HA H 45 4.048 4.048 4.565 -0.517 17717 19343 1 20 . 1 1 45 45 LEU CA C 45 55.569 55.569 57.440 -1.871 17717 19344 1 20 . 1 1 45 45 LEU CB C 45 41.250 41.250 41.632 -0.382 17717 19345 1 20 . 1 1 45 45 LEU H H 45 8.970 8.970 7.737 1.233 17717 19346 1 20 . 1 1 46 46 LEU N N 46 116.900 116.900 119.224 -2.324 17717 19347 1 20 . 1 1 46 46 LEU HA H 46 4.351 4.351 4.196 0.155 17717 19348 1 20 . 1 1 46 46 LEU CA C 46 54.684 54.684 57.526 -2.842 17717 19349 1 20 . 1 1 46 46 LEU CB C 46 39.800 39.800 42.480 -2.680 17717 19350 1 20 . 1 1 46 46 LEU H H 46 8.450 8.450 7.274 1.175 17717 19351 1 20 . 1 1 47 47 GLU N N 47 122.741 122.741 118.782 3.959 17717 19352 1 20 . 1 1 47 47 GLU HA H 47 4.018 4.018 3.915 0.103 17717 19353 1 20 . 1 1 47 47 GLU CA C 47 58.280 58.280 59.157 -0.877 17717 19354 1 20 . 1 1 47 47 GLU CB C 47 28.800 28.800 29.223 -0.423 17717 19355 1 20 . 1 1 47 47 GLU H H 47 7.490 7.490 8.438 -0.948 17717 19356 1 20 . 1 1 48 48 ASN N N 48 117.200 117.200 118.760 -1.560 17717 19357 1 20 . 1 1 48 48 ASN HA H 48 4.300 4.300 4.466 -0.166 17717 19358 1 20 . 1 1 48 48 ASN CA C 48 53.550 53.550 55.447 -1.897 17717 19359 1 20 . 1 1 48 48 ASN CB C 48 38.490 38.490 37.661 0.829 17717 19360 1 20 . 1 1 48 48 ASN H H 48 8.450 8.450 8.465 -0.015 17717 19361 1 20 . 1 1 49 49 TRP N N 49 119.320 119.320 121.014 -1.694 17717 19362 1 20 . 1 1 49 49 TRP HA H 49 4.300 4.300 4.452 -0.152 17717 19363 1 20 . 1 1 49 49 TRP CA C 49 56.200 56.200 59.911 -3.711 17717 19364 1 20 . 1 1 49 49 TRP CB C 49 27.800 27.800 29.522 -1.722 17717 19365 1 20 . 1 1 49 49 TRP H H 49 8.050 8.050 7.823 0.227 17717 19366 1 20 . 1 1 50 50 ASP N N 50 124.860 124.860 115.551 9.309 17717 19367 1 20 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.726 -0.036 17717 19368 1 20 . 1 1 50 50 ASP CA C 50 54.180 54.180 55.355 -1.175 17717 19369 1 20 . 1 1 50 50 ASP CB C 50 40.318 40.318 44.669 -4.351 17717 19370 1 20 . 1 1 50 50 ASP H H 50 8.470 8.470 7.847 0.623 17717 19371 1 20 . 1 1 51 51 THR N N 51 114.240 114.240 112.787 1.453 17717 19372 1 20 . 1 1 51 51 THR HA H 51 4.250 4.250 4.464 -0.214 17717 19373 1 20 . 1 1 51 51 THR CA C 51 61.800 61.800 61.882 -0.082 17717 19374 1 20 . 1 1 51 51 THR CB C 51 69.000 69.000 70.288 -1.288 17717 19375 1 20 . 1 1 51 51 THR H H 51 7.920 7.920 8.275 -0.355 17717 19376 1 20 . 1 1 52 52 LEU N N 52 124.335 124.335 125.723 -1.388 17717 19377 1 20 . 1 1 52 52 LEU HA H 52 4.261 4.261 4.094 0.167 17717 19378 1 20 . 1 1 52 52 LEU CA C 52 54.800 54.800 56.773 -1.973 17717 19379 1 20 . 1 1 52 52 LEU CB C 52 41.200 41.200 42.170 -0.970 17717 19380 1 20 . 1 1 52 52 LEU H H 52 8.000 8.000 8.520 -0.520 17717 19381 1 20 . 1 1 53 53 GLY N N 53 109.991 109.991 111.976 -1.985 17717 19382 1 20 . 1 1 53 53 GLY CA C 53 44.700 44.700 45.602 -0.902 17717 19383 1 20 . 1 1 53 53 GLY H H 53 8.450 8.450 8.762 -0.312 17717 19384 1 20 . 1 1 54 54 SER N N 54 113.710 113.710 118.437 -4.727 17717 19385 1 20 . 1 1 54 54 SER HA H 54 4.480 4.480 4.201 0.279 17717 19386 1 20 . 1 1 54 54 SER CA C 54 57.300 57.300 60.543 -3.243 17717 19387 1 20 . 1 1 54 54 SER CB C 54 63.100 63.100 63.240 -0.141 17717 19388 1 20 . 1 1 54 54 SER H H 54 8.060 8.060 8.533 -0.473 17717 19389 1 20 . 1 1 55 55 THR N N 55 116.897 116.897 114.090 2.807 17717 19390 1 20 . 1 1 55 55 THR HA H 55 4.044 4.044 3.970 0.074 17717 19391 1 20 . 1 1 55 55 THR CA C 55 61.700 61.700 64.885 -3.185 17717 19392 1 20 . 1 1 55 55 THR CB C 55 69.800 69.800 68.475 1.325 17717 19393 1 20 . 1 1 55 55 THR H H 55 8.210 8.210 8.408 -0.198 17717 19394 1 20 . 1 1 56 56 VAL N N 56 123.300 123.300 114.246 9.054 17717 19395 1 20 . 1 1 56 56 VAL HA H 56 3.793 3.793 4.523 -0.730 17717 19396 1 20 . 1 1 56 56 VAL CA C 56 66.384 66.384 61.478 4.906 17717 19397 1 20 . 1 1 56 56 VAL CB C 56 30.268 30.268 32.859 -2.591 17717 19398 1 20 . 1 1 56 56 VAL H H 56 8.280 8.280 7.842 0.438 17717 19399 1 20 . 1 1 57 57 SER N N 57 117.429 117.429 115.347 2.082 17717 19400 1 20 . 1 1 57 57 SER HA H 57 4.136 4.136 4.292 -0.156 17717 19401 1 20 . 1 1 57 57 SER CA C 57 61.100 61.100 60.734 0.366 17717 19402 1 20 . 1 1 57 57 SER CB C 57 62.800 62.800 63.234 -0.434 17717 19403 1 20 . 1 1 57 57 SER H H 57 7.850 7.850 8.183 -0.333 17717 19404 1 20 . 1 1 58 58 GLN N N 58 128.580 128.580 115.555 13.025 17717 19405 1 20 . 1 1 58 58 GLN HA H 58 4.260 4.260 4.307 -0.047 17717 19406 1 20 . 1 1 58 58 GLN CA C 58 56.642 56.642 56.615 0.027 17717 19407 1 20 . 1 1 58 58 GLN CB C 58 29.023 29.023 28.866 0.157 17717 19408 1 20 . 1 1 58 58 GLN H H 58 7.990 7.990 7.869 0.121 17717 19409 1 20 . 1 1 59 59 LEU N N 59 122.210 122.210 119.269 2.941 17717 19410 1 20 . 1 1 59 59 LEU HA H 59 4.310 4.310 3.973 0.337 17717 19411 1 20 . 1 1 59 59 LEU CA C 59 55.300 55.300 59.040 -3.740 17717 19412 1 20 . 1 1 59 59 LEU CB C 59 41.160 41.160 41.017 0.143 17717 19413 1 20 . 1 1 59 59 LEU H H 59 8.050 8.050 8.154 -0.104 17717 19414 1 20 . 1 1 60 60 GLN N N 60 120.085 120.085 118.507 1.578 17717 19415 1 20 . 1 1 60 60 GLN HA H 60 4.222 4.222 4.137 0.085 17717 19416 1 20 . 1 1 60 60 GLN CA C 60 55.960 55.960 58.917 -2.957 17717 19417 1 20 . 1 1 60 60 GLN CB C 60 27.900 27.900 27.683 0.217 17717 19418 1 20 . 1 1 60 60 GLN H H 60 8.210 8.210 8.592 -0.382 17717 19419 1 20 . 1 1 61 61 GLU N N 61 120.920 120.920 118.436 2.484 17717 19420 1 20 . 1 1 61 61 GLU HA H 61 4.216 4.216 3.978 0.238 17717 19421 1 20 . 1 1 61 61 GLU CA C 61 56.900 56.900 59.456 -2.557 17717 19422 1 20 . 1 1 61 61 GLU CB C 61 28.500 28.500 29.263 -0.763 17717 19423 1 20 . 1 1 61 61 GLU H H 61 8.590 8.590 8.673 -0.083 17717 19424 1 20 . 1 1 62 62 ARG N N 62 118.833 118.833 118.252 0.581 17717 19425 1 20 . 1 1 62 62 ARG HA H 62 4.161 4.161 4.224 -0.063 17717 19426 1 20 . 1 1 62 62 ARG CA C 62 58.030 58.030 58.517 -0.487 17717 19427 1 20 . 1 1 62 62 ARG CB C 62 29.400 29.400 30.526 -1.126 17717 19428 1 20 . 1 1 62 62 ARG H H 62 7.680 7.680 8.250 -0.570 17717 19429 1 20 . 1 1 63 63 LEU N N 63 118.790 118.790 120.725 -1.935 17717 19430 1 20 . 1 1 63 63 LEU HA H 63 4.100 4.100 4.106 -0.006 17717 19431 1 20 . 1 1 63 63 LEU CA C 63 56.360 56.360 57.465 -1.105 17717 19432 1 20 . 1 1 63 63 LEU CB C 63 41.130 41.130 41.410 -0.280 17717 19433 1 20 . 1 1 63 63 LEU H H 63 8.320 8.320 7.777 0.543 17717 19434 1 20 . 1 1 64 64 GLY N N 64 104.679 104.679 108.205 -3.526 17717 19435 1 20 . 1 1 64 64 GLY CA C 64 44.145 44.145 48.102 -3.957 17717 19436 1 20 . 1 1 64 64 GLY H H 64 7.220 7.220 8.501 -1.281 17717 19437 1 20 . 1 1 65 65 PRO CA C 65 62.817 62.817 64.927 -2.110 17717 19438 1 20 . 1 1 65 65 PRO CB C 65 31.290 31.290 31.452 -0.162 17717 19439 1 20 . 1 1 66 66 LEU N N 66 124.866 124.866 120.671 4.195 17717 19440 1 20 . 1 1 66 66 LEU HA H 66 4.609 4.609 4.302 0.307 17717 19441 1 20 . 1 1 66 66 LEU CA C 66 52.900 52.900 58.793 -5.893 17717 19442 1 20 . 1 1 66 66 LEU CB C 66 43.200 43.200 41.121 2.079 17717 19443 1 20 . 1 1 66 66 LEU H H 66 8.550 8.550 8.065 0.485 17717 19444 1 20 . 1 1 67 67 THR N N 67 112.116 112.116 112.887 -0.771 17717 19445 1 20 . 1 1 67 67 THR HA H 67 4.824 4.824 4.480 0.344 17717 19446 1 20 . 1 1 67 67 THR CA C 67 59.240 59.240 66.239 -6.999 17717 19447 1 20 . 1 1 67 67 THR CB C 67 71.550 71.550 69.059 2.491 17717 19448 1 20 . 1 1 67 67 THR H H 67 7.650 7.650 8.043 -0.393 17717 19449 1 20 . 1 1 68 68 ARG N N 68 120.085 120.085 120.175 -0.090 17717 19450 1 20 . 1 1 68 68 ARG HA H 68 4.230 4.230 4.001 0.229 17717 19451 1 20 . 1 1 68 68 ARG CA C 68 58.600 58.600 58.914 -0.314 17717 19452 1 20 . 1 1 68 68 ARG CB C 68 28.900 28.900 29.916 -1.016 17717 19453 1 20 . 1 1 68 68 ARG H H 68 8.950 8.950 7.567 1.383 17717 19454 1 20 . 1 1 69 69 ASP N N 69 116.366 116.366 120.169 -3.803 17717 19455 1 20 . 1 1 69 69 ASP HA H 69 4.249 4.249 4.356 -0.107 17717 19456 1 20 . 1 1 69 69 ASP CA C 69 56.100 56.100 58.386 -2.285 17717 19457 1 20 . 1 1 69 69 ASP CB C 69 39.550 39.550 40.722 -1.173 17717 19458 1 20 . 1 1 69 69 ASP H H 69 8.100 8.100 7.908 0.192 17717 19459 1 20 . 1 1 70 70 PHE N N 70 119.553 119.553 118.791 0.762 17717 19460 1 20 . 1 1 70 70 PHE HA H 70 4.090 4.090 3.876 0.214 17717 19461 1 20 . 1 1 70 70 PHE CA C 70 60.700 60.700 59.297 1.403 17717 19462 1 20 . 1 1 70 70 PHE CB C 70 38.100 38.100 37.568 0.532 17717 19463 1 20 . 1 1 70 70 PHE H H 70 7.420 7.420 7.110 0.310 17717 19464 1 20 . 1 1 71 71 TRP N N 71 120.085 120.085 121.978 -1.893 17717 19465 1 20 . 1 1 71 71 TRP HA H 71 4.044 4.044 3.241 0.803 17717 19466 1 20 . 1 1 71 71 TRP CA C 71 58.100 58.100 61.338 -3.238 17717 19467 1 20 . 1 1 71 71 TRP CB C 71 28.100 28.100 28.729 -0.629 17717 19468 1 20 . 1 1 71 71 TRP H H 71 6.950 6.950 7.069 -0.119 17717 19469 1 20 . 1 1 72 72 ASP N N 72 121.450 121.450 118.081 3.369 17717 19470 1 20 . 1 1 72 72 ASP HA H 72 4.310 4.310 3.402 0.908 17717 19471 1 20 . 1 1 72 72 ASP CA C 72 55.350 55.350 56.770 -1.420 17717 19472 1 20 . 1 1 72 72 ASP CB C 72 40.000 40.000 40.302 -0.302 17717 19473 1 20 . 1 1 72 72 ASP H H 72 8.350 8.350 7.630 0.720 17717 19474 1 20 . 1 1 73 73 ASN N N 73 117.200 117.200 118.877 -1.677 17717 19475 1 20 . 1 1 73 73 ASN HA H 73 4.220 4.220 4.354 -0.134 17717 19476 1 20 . 1 1 73 73 ASN CA C 73 54.500 54.500 56.366 -1.866 17717 19477 1 20 . 1 1 73 73 ASN CB C 73 40.000 40.000 38.759 1.241 17717 19478 1 20 . 1 1 73 73 ASN H H 73 7.700 7.700 7.744 -0.044 17717 19479 1 20 . 1 1 74 74 LEU N N 74 123.600 123.600 119.960 3.640 17717 19480 1 20 . 1 1 74 74 LEU HA H 74 4.350 4.350 4.448 -0.098 17717 19481 1 20 . 1 1 74 74 LEU CA C 74 54.700 54.700 57.580 -2.880 17717 19482 1 20 . 1 1 74 74 LEU CB C 74 41.400 41.400 42.184 -0.784 17717 19483 1 20 . 1 1 74 74 LEU H H 74 8.330 8.330 8.434 -0.104 17717 19484 1 20 . 1 1 75 75 GLU N N 75 121.400 121.400 120.238 1.162 17717 19485 1 20 . 1 1 75 75 GLU HA H 75 4.000 4.000 3.805 0.195 17717 19486 1 20 . 1 1 75 75 GLU CA C 75 58.200 58.200 59.146 -0.946 17717 19487 1 20 . 1 1 75 75 GLU CB C 75 28.400 28.400 28.743 -0.343 17717 19488 1 20 . 1 1 75 75 GLU H H 75 8.600 8.600 8.240 0.360 17717 19489 1 20 . 1 1 76 76 LYS N N 76 118.000 118.000 118.684 -0.684 17717 19490 1 20 . 1 1 76 76 LYS HA H 76 4.117 4.117 4.110 0.007 17717 19491 1 20 . 1 1 76 76 LYS CA C 76 58.400 58.400 58.892 -0.492 17717 19492 1 20 . 1 1 76 76 LYS CB C 76 32.480 32.480 32.496 -0.016 17717 19493 1 20 . 1 1 76 76 LYS H H 76 7.690 7.690 7.433 0.257 17717 19494 1 20 . 1 1 77 77 GLU N N 77 115.835 115.835 119.042 -3.207 17717 19495 1 20 . 1 1 77 77 GLU HA H 77 4.310 4.310 3.988 0.322 17717 19496 1 20 . 1 1 77 77 GLU CA C 77 54.785 54.785 60.147 -5.362 17717 19497 1 20 . 1 1 77 77 GLU CB C 77 28.355 28.355 29.419 -1.064 17717 19498 1 20 . 1 1 77 77 GLU H H 77 8.290 8.290 7.785 0.505 17717 19499 1 20 . 1 1 78 78 THR N N 78 120.300 120.300 112.387 7.913 17717 19500 1 20 . 1 1 78 78 THR HA H 78 4.410 4.410 3.902 0.508 17717 19501 1 20 . 1 1 78 78 THR CA C 78 68.100 68.100 66.555 1.544 17717 19502 1 20 . 1 1 78 78 THR CB C 78 69.451 69.451 68.559 0.892 17717 19503 1 20 . 1 1 78 78 THR H H 78 7.490 7.490 8.286 -0.796 17717 19504 1 20 . 1 1 79 79 ASP N N 79 120.085 120.085 121.684 -1.599 17717 19505 1 20 . 1 1 79 79 ASP HA H 79 4.480 4.480 4.329 0.151 17717 19506 1 20 . 1 1 79 79 ASP CA C 79 57.426 57.426 57.077 0.349 17717 19507 1 20 . 1 1 79 79 ASP CB C 79 39.240 39.240 40.694 -1.454 17717 19508 1 20 . 1 1 79 79 ASP H H 79 8.880 8.880 7.735 1.145 17717 19509 1 20 . 1 1 80 80 TRP N N 80 123.803 123.803 122.591 1.212 17717 19510 1 20 . 1 1 80 80 TRP HA H 80 4.280 4.280 4.334 -0.054 17717 19511 1 20 . 1 1 80 80 TRP CA C 80 60.660 60.660 61.603 -0.943 17717 19512 1 20 . 1 1 80 80 TRP CB C 80 27.000 27.000 30.200 -3.200 17717 19513 1 20 . 1 1 80 80 TRP H H 80 7.760 7.760 7.976 -0.216 17717 19514 1 20 . 1 1 81 81 VAL N N 81 118.790 118.790 117.073 1.717 17717 19515 1 20 . 1 1 81 81 VAL HA H 81 4.280 4.280 3.869 0.411 17717 19516 1 20 . 1 1 81 81 VAL CA C 81 61.200 61.200 66.240 -5.040 17717 19517 1 20 . 1 1 81 81 VAL CB C 81 29.900 29.900 31.722 -1.822 17717 19518 1 20 . 1 1 81 81 VAL H H 81 8.160 8.160 8.805 -0.645 17717 19519 1 20 . 1 1 82 82 ARG N N 82 119.190 119.190 119.934 -0.744 17717 19520 1 20 . 1 1 82 82 ARG HA H 82 4.480 4.480 3.996 0.484 17717 19521 1 20 . 1 1 82 82 ARG CA C 82 58.400 58.400 59.338 -0.938 17717 19522 1 20 . 1 1 82 82 ARG CB C 82 29.800 29.800 30.187 -0.387 17717 19523 1 20 . 1 1 82 82 ARG H H 82 7.100 7.100 8.286 -1.186 17717 19524 1 20 . 1 1 83 83 GLN N N 83 117.960 117.960 118.490 -0.530 17717 19525 1 20 . 1 1 83 83 GLN HA H 83 4.222 4.222 3.971 0.251 17717 19526 1 20 . 1 1 83 83 GLN CA C 83 55.600 55.600 58.442 -2.842 17717 19527 1 20 . 1 1 83 83 GLN CB C 83 28.550 28.550 28.240 0.310 17717 19528 1 20 . 1 1 83 83 GLN H H 83 8.050 8.050 7.868 0.182 17717 19529 1 20 . 1 1 84 84 GLU N N 84 119.022 119.022 118.924 0.098 17717 19530 1 20 . 1 1 84 84 GLU HA H 84 4.100 4.100 3.961 0.139 17717 19531 1 20 . 1 1 84 84 GLU CA C 84 57.300 57.300 58.431 -1.131 17717 19532 1 20 . 1 1 84 84 GLU CB C 84 28.600 28.600 29.032 -0.432 17717 19533 1 20 . 1 1 84 84 GLU H H 84 7.920 7.920 8.279 -0.359 17717 19534 1 20 . 1 1 85 85 MET N N 85 117.565 117.565 120.268 -2.703 17717 19535 1 20 . 1 1 85 85 MET HA H 85 4.265 4.265 3.979 0.286 17717 19536 1 20 . 1 1 85 85 MET CA C 85 55.020 55.020 59.176 -4.156 17717 19537 1 20 . 1 1 85 85 MET CB C 85 33.000 33.000 32.121 0.879 17717 19538 1 20 . 1 1 85 85 MET H H 85 8.230 8.230 7.507 0.723 17717 19539 1 20 . 1 1 86 86 ASN N N 86 119.022 119.022 116.301 2.721 17717 19540 1 20 . 1 1 86 86 ASN HA H 86 4.570 4.570 4.465 0.105 17717 19541 1 20 . 1 1 86 86 ASN CA C 86 56.000 56.000 56.511 -0.511 17717 19542 1 20 . 1 1 86 86 ASN CB C 86 37.700 37.700 38.557 -0.857 17717 19543 1 20 . 1 1 86 86 ASN H H 86 8.600 8.600 7.754 0.846 17717 19544 1 20 . 1 1 87 87 LYS N N 87 120.273 120.273 120.332 -0.059 17717 19545 1 20 . 1 1 87 87 LYS HA H 87 4.100 4.100 3.875 0.225 17717 19546 1 20 . 1 1 87 87 LYS CA C 87 59.000 59.000 59.766 -0.766 17717 19547 1 20 . 1 1 87 87 LYS CB C 87 30.900 30.900 32.213 -1.313 17717 19548 1 20 . 1 1 87 87 LYS H H 87 7.220 7.220 7.586 -0.366 17717 19549 1 20 . 1 1 88 88 ASP N N 88 121.147 121.147 119.308 1.839 17717 19550 1 20 . 1 1 88 88 ASP HA H 88 4.480 4.480 4.390 0.090 17717 19551 1 20 . 1 1 88 88 ASP CA C 88 56.840 56.840 57.352 -0.512 17717 19552 1 20 . 1 1 88 88 ASP CB C 88 39.450 39.450 40.670 -1.220 17717 19553 1 20 . 1 1 88 88 ASP H H 88 7.390 7.390 8.019 -0.629 17717 19554 1 20 . 1 1 89 89 LEU N N 89 122.741 122.741 120.157 2.584 17717 19555 1 20 . 1 1 89 89 LEU HA H 89 4.470 4.470 3.909 0.561 17717 19556 1 20 . 1 1 89 89 LEU CA C 89 57.000 57.000 58.543 -1.543 17717 19557 1 20 . 1 1 89 89 LEU CB C 89 41.000 41.000 42.203 -1.203 17717 19558 1 20 . 1 1 89 89 LEU H H 89 8.910 8.910 7.429 1.481 17717 19559 1 20 . 1 1 90 90 GLU N N 90 119.553 119.553 117.602 1.951 17717 19560 1 20 . 1 1 90 90 GLU HA H 90 4.050 4.050 4.121 -0.071 17717 19561 1 20 . 1 1 90 90 GLU CA C 90 59.100 59.100 58.549 0.551 17717 19562 1 20 . 1 1 90 90 GLU CB C 90 28.556 28.556 29.722 -1.166 17717 19563 1 20 . 1 1 90 90 GLU H H 90 8.260 8.260 7.761 0.499 17717 19564 1 20 . 1 1 91 91 GLU N N 91 119.190 119.190 120.191 -1.001 17717 19565 1 20 . 1 1 91 91 GLU HA H 91 4.136 4.136 4.132 0.004 17717 19566 1 20 . 1 1 91 91 GLU CA C 91 58.600 58.600 59.293 -0.693 17717 19567 1 20 . 1 1 91 91 GLU CB C 91 28.600 28.600 29.991 -1.391 17717 19568 1 20 . 1 1 91 91 GLU H H 91 7.470 7.470 8.149 -0.679 17717 19569 1 20 . 1 1 92 92 VAL N N 92 122.230 122.230 115.627 6.603 17717 19570 1 20 . 1 1 92 92 VAL HA H 92 3.837 3.837 3.927 -0.090 17717 19571 1 20 . 1 1 92 92 VAL CA C 92 65.900 65.900 66.303 -0.403 17717 19572 1 20 . 1 1 92 92 VAL CB C 92 29.200 29.200 32.062 -2.862 17717 19573 1 20 . 1 1 92 92 VAL H H 92 8.420 8.420 8.254 0.166 17717 19574 1 20 . 1 1 93 93 LYS N N 93 121.300 121.300 118.796 2.504 17717 19575 1 20 . 1 1 93 93 LYS HA H 93 3.836 3.836 4.155 -0.319 17717 19576 1 20 . 1 1 93 93 LYS CA C 93 59.900 59.900 58.746 1.154 17717 19577 1 20 . 1 1 93 93 LYS CB C 93 31.277 31.277 31.884 -0.606 17717 19578 1 20 . 1 1 93 93 LYS H H 93 9.000 9.000 7.687 1.313 17717 19579 1 20 . 1 1 94 94 GLN N N 94 116.900 116.900 117.277 -0.377 17717 19580 1 20 . 1 1 94 94 GLN HA H 94 4.094 4.094 4.334 -0.240 17717 19581 1 20 . 1 1 94 94 GLN CA C 94 57.731 57.731 57.947 -0.216 17717 19582 1 20 . 1 1 94 94 GLN CB C 94 27.700 27.700 28.395 -0.695 17717 19583 1 20 . 1 1 94 94 GLN H H 94 7.320 7.320 7.765 -0.445 17717 19584 1 20 . 1 1 95 95 LYS N N 95 119.190 119.190 119.420 -0.230 17717 19585 1 20 . 1 1 95 95 LYS HA H 95 4.137 4.137 4.247 -0.110 17717 19586 1 20 . 1 1 95 95 LYS CA C 95 57.700 57.700 58.124 -0.424 17717 19587 1 20 . 1 1 95 95 LYS CB C 95 31.800 31.800 33.215 -1.415 17717 19588 1 20 . 1 1 95 95 LYS H H 95 7.590 7.590 7.682 -0.092 17717 19589 1 20 . 1 1 96 96 VAL N N 96 111.000 111.000 116.203 -5.203 17717 19590 1 20 . 1 1 96 96 VAL HA H 96 4.138 4.138 3.519 0.619 17717 19591 1 20 . 1 1 96 96 VAL CA C 96 61.600 61.600 65.600 -4.000 17717 19592 1 20 . 1 1 96 96 VAL CB C 96 31.500 31.500 31.483 0.017 17717 19593 1 20 . 1 1 96 96 VAL H H 96 7.960 7.960 7.600 0.360 17717 19594 1 20 . 1 1 97 97 GLN N N 97 122.210 122.210 118.937 3.273 17717 19595 1 20 . 1 1 97 97 GLN HA H 97 4.030 4.030 4.255 -0.225 17717 19596 1 20 . 1 1 97 97 GLN CA C 97 59.226 59.226 57.894 1.332 17717 19597 1 20 . 1 1 97 97 GLN CB C 97 24.578 24.578 26.662 -2.084 17717 19598 1 20 . 1 1 97 97 GLN H H 97 7.380 7.380 8.188 -0.808 17717 19599 1 20 . 1 1 98 98 PRO CA C 98 65.400 65.400 63.193 2.208 17717 19600 1 20 . 1 1 98 98 PRO CB C 98 30.336 30.336 32.198 -1.862 17717 19601 1 20 . 1 1 99 99 TYR N N 99 116.900 116.900 116.893 0.007 17717 19602 1 20 . 1 1 99 99 TYR HA H 99 4.480 4.480 4.142 0.338 17717 19603 1 20 . 1 1 99 99 TYR CA C 99 58.446 58.446 59.071 -0.625 17717 19604 1 20 . 1 1 99 99 TYR CB C 99 36.344 36.344 37.021 -0.677 17717 19605 1 20 . 1 1 99 99 TYR H H 99 7.100 7.100 7.795 -0.695 17717 19606 1 20 . 1 1 100 100 LEU N N 100 123.270 123.270 123.291 -0.021 17717 19607 1 20 . 1 1 100 100 LEU HA H 100 3.964 3.964 4.734 -0.770 17717 19608 1 20 . 1 1 100 100 LEU CA C 100 57.300 57.300 54.812 2.488 17717 19609 1 20 . 1 1 100 100 LEU CB C 100 40.950 40.950 42.974 -2.024 17717 19610 1 20 . 1 1 100 100 LEU H H 100 7.500 7.500 7.889 -0.389 17717 19611 1 20 . 1 1 101 101 ASP N N 101 119.500 119.500 119.701 -0.201 17717 19612 1 20 . 1 1 101 101 ASP HA H 101 3.810 3.810 4.632 -0.822 17717 19613 1 20 . 1 1 101 101 ASP CA C 101 58.200 58.200 54.694 3.506 17717 19614 1 20 . 1 1 101 101 ASP CB C 101 39.100 39.100 39.914 -0.815 17717 19615 1 20 . 1 1 101 101 ASP H H 101 8.450 8.450 8.176 0.274 17717 19616 1 20 . 1 1 102 102 GLU N N 102 121.221 121.221 120.887 0.334 17717 19617 1 20 . 1 1 102 102 GLU HA H 102 4.222 4.222 3.932 0.290 17717 19618 1 20 . 1 1 102 102 GLU CA C 102 59.200 59.200 58.750 0.450 17717 19619 1 20 . 1 1 102 102 GLU CB C 102 31.100 31.100 28.943 2.157 17717 19620 1 20 . 1 1 102 102 GLU H H 102 8.190 8.190 8.387 -0.197 17717 19621 1 20 . 1 1 103 103 PHE N N 103 124.065 124.065 119.912 4.153 17717 19622 1 20 . 1 1 103 103 PHE HA H 103 4.520 4.520 4.242 0.278 17717 19623 1 20 . 1 1 103 103 PHE CA C 103 57.183 57.183 60.564 -3.381 17717 19624 1 20 . 1 1 103 103 PHE CB C 103 38.608 38.608 37.961 0.648 17717 19625 1 20 . 1 1 103 103 PHE H H 103 8.170 8.170 7.228 0.942 17717 19626 1 20 . 1 1 104 104 GLN N N 104 123.272 123.272 118.057 5.215 17717 19627 1 20 . 1 1 104 104 GLN HA H 104 4.222 4.222 4.072 0.150 17717 19628 1 20 . 1 1 104 104 GLN CA C 104 55.460 55.460 59.161 -3.701 17717 19629 1 20 . 1 1 104 104 GLN CB C 104 29.200 29.200 28.314 0.886 17717 19630 1 20 . 1 1 104 104 GLN H H 104 8.030 8.030 8.419 -0.389 17717 19631 1 20 . 1 1 105 105 LYS N N 105 119.600 119.600 120.308 -0.708 17717 19632 1 20 . 1 1 105 105 LYS HA H 105 4.136 4.136 4.078 0.058 17717 19633 1 20 . 1 1 105 105 LYS CA C 105 57.830 57.830 58.721 -0.891 17717 19634 1 20 . 1 1 105 105 LYS CB C 105 32.220 32.220 32.186 0.034 17717 19635 1 20 . 1 1 105 105 LYS H H 105 7.800 7.800 7.576 0.224 17717 19636 1 20 . 1 1 106 106 LYS N N 106 117.960 117.960 120.826 -2.866 17717 19637 1 20 . 1 1 106 106 LYS HA H 106 4.093 4.093 4.080 0.013 17717 19638 1 20 . 1 1 106 106 LYS CA C 106 57.860 57.860 59.514 -1.654 17717 19639 1 20 . 1 1 106 106 LYS CB C 106 32.080 32.080 31.876 0.204 17717 19640 1 20 . 1 1 106 106 LYS H H 106 7.740 7.740 8.117 -0.377 17717 19641 1 20 . 1 1 107 107 TRP N N 107 119.320 119.320 118.895 0.425 17717 19642 1 20 . 1 1 107 107 TRP HA H 107 4.310 4.310 4.249 0.061 17717 19643 1 20 . 1 1 107 107 TRP CA C 107 54.900 54.900 60.542 -5.642 17717 19644 1 20 . 1 1 107 107 TRP CB C 107 28.400 28.400 29.253 -0.854 17717 19645 1 20 . 1 1 107 107 TRP H H 107 8.390 8.390 7.825 0.565 17717 19646 1 20 . 1 1 108 108 LYS N N 108 120.390 120.390 119.611 0.779 17717 19647 1 20 . 1 1 108 108 LYS HA H 108 4.350 4.350 3.750 0.600 17717 19648 1 20 . 1 1 108 108 LYS CA C 108 58.170 58.170 58.086 0.084 17717 19649 1 20 . 1 1 108 108 LYS CB C 108 30.250 30.250 32.002 -1.752 17717 19650 1 20 . 1 1 108 108 LYS H H 108 7.420 7.420 7.775 -0.355 17717 19651 1 20 . 1 1 109 109 GLU N N 109 120.220 120.220 119.954 0.266 17717 19652 1 20 . 1 1 109 109 GLU HA H 109 3.922 3.922 4.001 -0.079 17717 19653 1 20 . 1 1 109 109 GLU CA C 109 58.230 58.230 59.292 -1.062 17717 19654 1 20 . 1 1 109 109 GLU CB C 109 29.230 29.230 29.533 -0.303 17717 19655 1 20 . 1 1 109 109 GLU H H 109 7.800 7.800 7.562 0.238 17717 19656 1 20 . 1 1 110 110 ASP N N 110 121.678 121.678 119.907 1.771 17717 19657 1 20 . 1 1 110 110 ASP HA H 110 4.096 4.096 4.253 -0.157 17717 19658 1 20 . 1 1 110 110 ASP CA C 110 57.514 57.514 57.260 0.255 17717 19659 1 20 . 1 1 110 110 ASP CB C 110 40.005 40.005 40.608 -0.603 17717 19660 1 20 . 1 1 110 110 ASP H H 110 8.220 8.220 8.375 -0.155 17717 19661 1 20 . 1 1 111 111 VAL N N 111 123.537 123.537 116.861 6.676 17717 19662 1 20 . 1 1 111 111 VAL CA C 111 66.380 66.380 66.189 0.191 17717 19663 1 20 . 1 1 111 111 VAL CB C 111 30.800 30.800 30.895 -0.095 17717 19664 1 20 . 1 1 111 111 VAL H H 111 9.170 9.170 7.200 1.970 17717 19665 1 20 . 1 1 112 112 GLU N N 112 120.200 120.200 120.945 -0.745 17717 19666 1 20 . 1 1 112 112 GLU HA H 112 4.179 4.179 4.003 0.176 17717 19667 1 20 . 1 1 112 112 GLU CA C 112 58.431 58.431 59.304 -0.874 17717 19668 1 20 . 1 1 112 112 GLU CB C 112 27.878 27.878 29.293 -1.415 17717 19669 1 20 . 1 1 112 112 GLU H H 112 7.540 7.540 7.425 0.115 17717 19670 1 20 . 1 1 113 113 LEU N N 113 120.815 120.815 118.836 1.979 17717 19671 1 20 . 1 1 113 113 LEU HA H 113 4.439 4.439 3.799 0.640 17717 19672 1 20 . 1 1 113 113 LEU CA C 113 53.800 53.800 57.817 -4.017 17717 19673 1 20 . 1 1 113 113 LEU CB C 113 41.060 41.060 40.698 0.362 17717 19674 1 20 . 1 1 113 113 LEU H H 113 7.900 7.900 7.473 0.427 17717 19675 1 20 . 1 1 114 114 TYR N N 114 120.920 120.920 120.244 0.676 17717 19676 1 20 . 1 1 114 114 TYR HA H 114 4.520 4.520 3.953 0.567 17717 19677 1 20 . 1 1 114 114 TYR CA C 114 56.942 56.942 61.793 -4.851 17717 19678 1 20 . 1 1 114 114 TYR CB C 114 37.834 37.834 38.531 -0.696 17717 19679 1 20 . 1 1 114 114 TYR H H 114 8.370 8.370 7.964 0.406 17717 19680 1 20 . 1 1 115 115 ARG N N 115 118.260 118.260 117.663 0.597 17717 19681 1 20 . 1 1 115 115 ARG HA H 115 4.820 4.820 3.770 1.050 17717 19682 1 20 . 1 1 115 115 ARG CA C 115 55.700 55.700 59.771 -4.071 17717 19683 1 20 . 1 1 115 115 ARG CB C 115 30.600 30.600 29.734 0.866 17717 19684 1 20 . 1 1 115 115 ARG H H 115 7.630 7.630 7.831 -0.201 17717 19685 1 20 . 1 1 116 116 GLN N N 116 116.670 116.670 117.016 -0.346 17717 19686 1 20 . 1 1 116 116 GLN HA H 116 4.480 4.480 4.017 0.463 17717 19687 1 20 . 1 1 116 116 GLN CA C 116 57.100 57.100 58.214 -1.114 17717 19688 1 20 . 1 1 116 116 GLN CB C 116 28.060 28.060 28.118 -0.058 17717 19689 1 20 . 1 1 116 116 GLN H H 116 7.980 7.980 7.388 0.592 17717 19690 1 20 . 1 1 117 117 LYS N N 117 119.200 119.200 120.228 -1.028 17717 19691 1 20 . 1 1 117 117 LYS HA H 117 4.211 4.211 3.909 0.302 17717 19692 1 20 . 1 1 117 117 LYS CA C 117 56.700 56.700 58.351 -1.651 17717 19693 1 20 . 1 1 117 117 LYS CB C 117 32.100 32.100 31.474 0.626 17717 19694 1 20 . 1 1 117 117 LYS H H 117 7.780 7.780 7.430 0.350 17717 19695 1 20 . 1 1 118 118 ALA N N 118 122.740 122.740 119.849 2.891 17717 19696 1 20 . 1 1 118 118 ALA HA H 118 4.179 4.179 3.668 0.511 17717 19697 1 20 . 1 1 118 118 ALA CA C 118 52.100 52.100 53.244 -1.144 17717 19698 1 20 . 1 1 118 118 ALA CB C 118 18.100 18.100 18.259 -0.158 17717 19699 1 20 . 1 1 118 118 ALA H H 118 8.100 8.100 7.701 0.399 17717 19700 1 20 . 1 1 119 119 SER N N 119 115.840 115.840 114.497 1.343 17717 19701 1 20 . 1 1 119 119 SER HA H 119 4.210 4.210 4.809 -0.599 17717 19702 1 20 . 1 1 119 119 SER CA C 119 55.900 55.900 54.186 1.714 17717 19703 1 20 . 1 1 119 119 SER CB C 119 62.900 62.900 63.666 -0.766 17717 19704 1 20 . 1 1 119 119 SER H H 119 7.800 7.800 7.282 0.518 17717 19705 1 20 . 1 1 120 120 PRO CA C 120 63.074 63.074 63.066 0.007 17717 19706 1 20 . 1 1 120 120 PRO CB C 120 31.408 31.408 32.364 -0.956 17717 19707 1 20 . 1 1 121 121 GLN N N 121 120.800 120.800 126.550 -5.750 17717 19708 1 20 . 1 1 121 121 GLN HA H 121 4.350 4.350 4.049 0.301 17717 19709 1 20 . 1 1 121 121 GLN CA C 121 55.800 55.800 58.783 -2.983 17717 19710 1 20 . 1 1 121 121 GLN CB C 121 28.300 28.300 27.738 0.561 17717 19711 1 20 . 1 1 121 121 GLN H H 121 8.450 8.450 8.677 -0.227 17717 19712 1 20 . 1 1 122 122 GLY N N 122 109.991 109.991 107.460 2.531 17717 19713 1 20 . 1 1 122 122 GLY CA C 122 44.500 44.500 46.324 -1.824 17717 19714 1 20 . 1 1 122 122 GLY H H 122 8.380 8.380 8.870 -0.490 17717 19715 1 20 . 1 1 123 123 ALA N N 123 124.866 124.866 125.679 -0.813 17717 19716 1 20 . 1 1 123 123 ALA HA H 123 4.280 4.280 4.481 -0.201 17717 19717 1 20 . 1 1 123 123 ALA CA C 123 52.440 52.440 54.840 -2.400 17717 19718 1 20 . 1 1 123 123 ALA CB C 123 18.530 18.530 18.613 -0.083 17717 19719 1 20 . 1 1 123 123 ALA H H 123 8.200 8.200 7.750 0.451 17717 19720 1 20 . 1 1 124 124 GLU N N 124 120.000 120.000 118.178 1.822 17717 19721 1 20 . 1 1 124 124 GLU HA H 124 4.265 4.265 4.185 0.080 17717 19722 1 20 . 1 1 124 124 GLU CA C 124 56.533 56.533 57.924 -1.391 17717 19723 1 20 . 1 1 124 124 GLU CB C 124 29.150 29.150 29.629 -0.479 17717 19724 1 20 . 1 1 124 124 GLU H H 124 8.510 8.510 7.739 0.771 17717 19725 1 20 . 1 1 125 125 LEU N N 125 122.740 122.740 123.737 -0.997 17717 19726 1 20 . 1 1 125 125 LEU HA H 125 4.222 4.222 4.067 0.155 17717 19727 1 20 . 1 1 125 125 LEU CA C 125 55.600 55.600 58.079 -2.479 17717 19728 1 20 . 1 1 125 125 LEU CB C 125 41.500 41.500 41.873 -0.374 17717 19729 1 20 . 1 1 125 125 LEU H H 125 8.110 8.110 8.442 -0.332 17717 19730 1 20 . 1 1 126 126 GLN N N 126 120.616 120.616 116.835 3.781 17717 19731 1 20 . 1 1 126 126 GLN HA H 126 4.140 4.140 3.973 0.167 17717 19732 1 20 . 1 1 126 126 GLN CA C 126 56.600 56.600 58.986 -2.386 17717 19733 1 20 . 1 1 126 126 GLN CB C 126 28.200 28.200 28.540 -0.340 17717 19734 1 20 . 1 1 126 126 GLN H H 126 8.190 8.190 8.205 -0.015 17717 19735 1 20 . 1 1 127 127 GLU N N 127 121.221 121.221 120.586 0.635 17717 19736 1 20 . 1 1 127 127 GLU HA H 127 4.480 4.480 4.044 0.436 17717 19737 1 20 . 1 1 127 127 GLU CA C 127 57.800 57.800 59.327 -1.527 17717 19738 1 20 . 1 1 127 127 GLU CB C 127 28.000 28.000 29.708 -1.708 17717 19739 1 20 . 1 1 127 127 GLU H H 127 8.130 8.130 7.735 0.395 17717 19740 1 20 . 1 1 128 128 SER N N 128 117.960 117.960 115.482 2.478 17717 19741 1 20 . 1 1 128 128 SER HA H 128 4.140 4.140 4.260 -0.120 17717 19742 1 20 . 1 1 128 128 SER CA C 128 57.800 57.800 61.399 -3.599 17717 19743 1 20 . 1 1 128 128 SER CB C 128 63.860 63.860 63.082 0.778 17717 19744 1 20 . 1 1 128 128 SER H H 128 8.580 8.580 8.555 0.025 17717 19745 1 20 . 1 1 129 129 ALA N N 129 132.300 132.300 124.341 7.959 17717 19746 1 20 . 1 1 129 129 ALA CA C 129 53.505 53.505 54.052 -0.547 17717 19747 1 20 . 1 1 129 129 ALA CB C 129 18.600 18.600 18.965 -0.365 17717 19748 1 20 . 1 1 129 129 ALA H H 129 7.980 7.980 7.874 0.106 17717 19749 1 20 . 1 1 130 130 ARG N N 130 119.553 119.553 116.509 3.044 17717 19750 1 20 . 1 1 130 130 ARG HA H 130 4.274 4.274 4.710 -0.436 17717 19751 1 20 . 1 1 130 130 ARG CA C 130 55.300 55.300 55.151 0.149 17717 19752 1 20 . 1 1 130 130 ARG CB C 130 31.600 31.600 30.946 0.654 17717 19753 1 20 . 1 1 130 130 ARG H H 130 8.150 8.150 7.739 0.411 17717 19754 1 20 . 1 1 131 131 GLN N N 131 117.960 117.960 118.935 -0.975 17717 19755 1 20 . 1 1 131 131 GLN HA H 131 4.350 4.350 4.391 -0.041 17717 19756 1 20 . 1 1 131 131 GLN CA C 131 56.066 56.066 54.985 1.081 17717 19757 1 20 . 1 1 131 131 GLN CB C 131 29.000 29.000 30.014 -1.014 17717 19758 1 20 . 1 1 131 131 GLN H H 131 7.880 7.880 7.559 0.321 17717 19759 1 20 . 1 1 132 132 LYS N N 132 121.357 121.357 116.308 5.049 17717 19760 1 20 . 1 1 132 132 LYS HA H 132 4.136 4.136 4.018 0.118 17717 19761 1 20 . 1 1 132 132 LYS CA C 132 56.800 56.800 57.784 -0.984 17717 19762 1 20 . 1 1 132 132 LYS CB C 132 31.100 31.100 31.900 -0.800 17717 19763 1 20 . 1 1 132 132 LYS H H 132 7.892 7.892 8.650 -0.758 17717 19764 1 20 . 1 1 133 133 LEU N N 133 120.620 120.620 119.083 1.537 17717 19765 1 20 . 1 1 133 133 LEU HA H 133 4.480 4.480 4.609 -0.129 17717 19766 1 20 . 1 1 133 133 LEU CA C 133 53.900 53.900 54.648 -0.747 17717 19767 1 20 . 1 1 133 133 LEU CB C 133 41.230 41.230 42.269 -1.039 17717 19768 1 20 . 1 1 133 133 LEU H H 133 8.320 8.320 7.788 0.532 17717 19769 1 20 . 1 1 134 134 GLN N N 134 121.147 121.147 121.449 -0.302 17717 19770 1 20 . 1 1 134 134 GLN HA H 134 4.222 4.222 4.371 -0.149 17717 19771 1 20 . 1 1 134 134 GLN CA C 134 56.146 56.146 55.379 0.767 17717 19772 1 20 . 1 1 134 134 GLN CB C 134 31.813 31.813 29.556 2.257 17717 19773 1 20 . 1 1 134 134 GLN H H 134 7.870 7.870 8.353 -0.483 17717 19774 1 20 . 1 1 135 135 GLU N N 135 121.678 121.678 121.473 0.205 17717 19775 1 20 . 1 1 135 135 GLU HA H 135 4.136 4.136 4.260 -0.124 17717 19776 1 20 . 1 1 135 135 GLU CA C 135 55.904 55.904 56.492 -0.588 17717 19777 1 20 . 1 1 135 135 GLU CB C 135 28.953 28.953 30.202 -1.249 17717 19778 1 20 . 1 1 135 135 GLU H H 135 7.892 7.892 8.240 -0.348 17717 19779 1 20 . 1 1 136 136 LEU N N 136 121.357 121.357 119.738 1.619 17717 19780 1 20 . 1 1 136 136 LEU HA H 136 4.351 4.351 4.448 -0.097 17717 19781 1 20 . 1 1 136 136 LEU CA C 136 54.765 54.765 54.800 -0.035 17717 19782 1 20 . 1 1 136 136 LEU CB C 136 41.823 41.823 40.135 1.688 17717 19783 1 20 . 1 1 136 136 LEU H H 136 7.962 7.962 8.489 -0.527 17717 19784 1 20 . 1 1 137 137 GLN N N 137 124.866 124.866 122.875 1.991 17717 19785 1 20 . 1 1 137 137 GLN HA H 137 4.222 4.222 3.981 0.241 17717 19786 1 20 . 1 1 137 137 GLN CA C 137 56.300 56.300 58.077 -1.776 17717 19787 1 20 . 1 1 137 137 GLN CB C 137 28.000 28.000 29.118 -1.118 17717 19788 1 20 . 1 1 137 137 GLN H H 137 7.938 7.938 8.529 -0.591 17717 19789 1 20 . 1 1 138 138 GLY N N 138 111.054 111.054 105.948 5.106 17717 19790 1 20 . 1 1 138 138 GLY CA C 138 44.800 44.800 45.042 -0.242 17717 19791 1 20 . 1 1 138 138 GLY H H 138 8.410 8.410 8.136 0.274 17717 19792 1 20 . 1 1 139 139 ARG N N 139 116.366 116.366 120.298 -3.932 17717 19793 1 20 . 1 1 139 139 ARG HA H 139 4.230 4.230 4.422 -0.192 17717 19794 1 20 . 1 1 139 139 ARG CA C 139 56.300 56.300 55.788 0.512 17717 19795 1 20 . 1 1 139 139 ARG CB C 139 28.700 28.700 31.238 -2.538 17717 19796 1 20 . 1 1 139 139 ARG H H 139 8.080 8.080 8.256 -0.176 17717 19797 1 20 . 1 1 140 140 LEU N N 140 126.460 126.460 122.598 3.862 17717 19798 1 20 . 1 1 140 140 LEU HA H 140 4.220 4.220 4.012 0.208 17717 19799 1 20 . 1 1 140 140 LEU CA C 140 56.500 56.500 54.845 1.655 17717 19800 1 20 . 1 1 140 140 LEU CB C 140 41.496 41.496 41.275 0.221 17717 19801 1 20 . 1 1 140 140 LEU H H 140 7.740 7.740 8.122 -0.382 17717 19802 1 20 . 1 1 141 141 SER N N 141 119.190 119.190 115.743 3.447 17717 19803 1 20 . 1 1 141 141 SER HA H 141 4.390 4.390 4.242 0.148 17717 19804 1 20 . 1 1 141 141 SER CA C 141 56.384 56.384 59.021 -2.637 17717 19805 1 20 . 1 1 141 141 SER CB C 141 62.996 62.996 63.266 -0.270 17717 19806 1 20 . 1 1 141 141 SER H H 141 8.430 8.430 8.162 0.268 17717 19807 1 20 . 1 1 142 142 PRO CA C 142 64.840 64.840 64.888 -0.048 17717 19808 1 20 . 1 1 142 142 PRO CB C 142 31.345 31.345 31.530 -0.185 17717 19809 1 20 . 1 1 143 143 VAL N N 143 116.900 116.900 116.990 -0.090 17717 19810 1 20 . 1 1 143 143 VAL HA H 143 4.100 4.100 4.298 -0.198 17717 19811 1 20 . 1 1 143 143 VAL CA C 143 63.800 63.800 63.805 -0.005 17717 19812 1 20 . 1 1 143 143 VAL CB C 143 31.400 31.400 30.207 1.193 17717 19813 1 20 . 1 1 143 143 VAL H H 143 7.780 7.780 8.018 -0.238 17717 19814 1 20 . 1 1 144 144 ALA N N 144 125.700 125.700 122.193 3.507 17717 19815 1 20 . 1 1 144 144 ALA HA H 144 4.390 4.390 4.071 0.319 17717 19816 1 20 . 1 1 144 144 ALA CA C 144 54.200 54.200 54.979 -0.779 17717 19817 1 20 . 1 1 144 144 ALA CB C 144 18.361 18.361 18.350 0.011 17717 19818 1 20 . 1 1 144 144 ALA H H 144 7.970 7.970 7.531 0.439 17717 19819 1 20 . 1 1 145 145 GLU N N 145 120.000 120.000 117.894 2.106 17717 19820 1 20 . 1 1 145 145 GLU HA H 145 3.920 3.920 3.996 -0.076 17717 19821 1 20 . 1 1 145 145 GLU CA C 145 59.400 59.400 59.584 -0.184 17717 19822 1 20 . 1 1 145 145 GLU CB C 145 28.400 28.400 29.245 -0.845 17717 19823 1 20 . 1 1 145 145 GLU H H 145 8.600 8.600 8.405 0.195 17717 19824 1 20 . 1 1 146 146 GLU N N 146 119.022 119.022 120.158 -1.136 17717 19825 1 20 . 1 1 146 146 GLU HA H 146 4.050 4.050 4.130 -0.080 17717 19826 1 20 . 1 1 146 146 GLU CA C 146 58.422 58.422 59.039 -0.617 17717 19827 1 20 . 1 1 146 146 GLU CB C 146 28.172 28.172 29.381 -1.209 17717 19828 1 20 . 1 1 146 146 GLU H H 146 8.070 8.070 7.769 0.301 17717 19829 1 20 . 1 1 147 147 PHE N N 147 117.023 117.023 120.402 -3.379 17717 19830 1 20 . 1 1 147 147 PHE HA H 147 4.523 4.523 4.156 0.367 17717 19831 1 20 . 1 1 147 147 PHE CA C 147 58.592 58.592 60.857 -2.265 17717 19832 1 20 . 1 1 147 147 PHE CB C 147 40.344 40.344 39.153 1.191 17717 19833 1 20 . 1 1 147 147 PHE H H 147 8.161 8.161 8.305 -0.144 17717 19834 1 20 . 1 1 148 148 ARG N N 148 120.085 120.085 118.747 1.338 17717 19835 1 20 . 1 1 148 148 ARG HA H 148 4.136 4.136 3.781 0.355 17717 19836 1 20 . 1 1 148 148 ARG CA C 148 57.700 57.700 59.709 -2.009 17717 19837 1 20 . 1 1 148 148 ARG CB C 148 30.400 30.400 30.091 0.309 17717 19838 1 20 . 1 1 148 148 ARG H H 148 8.325 8.325 7.610 0.715 17717 19839 1 20 . 1 1 149 149 ASP N N 149 118.530 118.530 119.634 -1.104 17717 19840 1 20 . 1 1 149 149 ASP HA H 149 4.310 4.310 4.356 -0.046 17717 19841 1 20 . 1 1 149 149 ASP CA C 149 54.600 54.600 57.266 -2.666 17717 19842 1 20 . 1 1 149 149 ASP CB C 149 41.000 41.000 40.798 0.202 17717 19843 1 20 . 1 1 149 149 ASP H H 149 8.270 8.270 7.966 0.304 17717 19844 1 20 . 1 1 150 150 ARG N N 150 126.460 126.460 117.590 8.870 17717 19845 1 20 . 1 1 150 150 ARG HA H 150 4.180 4.180 4.077 0.103 17717 19846 1 20 . 1 1 150 150 ARG CA C 150 56.850 56.850 58.750 -1.900 17717 19847 1 20 . 1 1 150 150 ARG CB C 150 30.451 30.451 29.649 0.802 17717 19848 1 20 . 1 1 150 150 ARG H H 150 7.860 7.860 8.532 -0.672 17717 19849 1 20 . 1 1 152 152 ARG CA C 152 55.764 55.764 59.564 -3.800 17717 19850 1 20 . 1 1 152 152 ARG CB C 152 30.014 30.014 29.912 0.102 17717 19851 1 20 . 1 1 153 153 THR N N 153 115.832 115.832 114.008 1.824 17717 19852 1 20 . 1 1 153 153 THR HA H 153 4.350 4.350 4.095 0.255 17717 19853 1 20 . 1 1 153 153 THR CA C 153 61.200 61.200 66.145 -4.945 17717 19854 1 20 . 1 1 153 153 THR CB C 153 69.400 69.400 68.178 1.222 17717 19855 1 20 . 1 1 153 153 THR H H 153 8.170 8.170 8.165 0.005 17717 19856 1 20 . 1 1 154 154 HIS N N 154 129.120 129.120 122.716 6.404 17717 19857 1 20 . 1 1 154 154 HIS HA H 154 4.650 4.650 4.211 0.439 17717 19858 1 20 . 1 1 154 154 HIS CA C 154 56.800 56.800 58.921 -2.121 17717 19859 1 20 . 1 1 154 154 HIS CB C 154 30.400 30.400 29.266 1.134 17717 19860 1 20 . 1 1 154 154 HIS H H 154 7.950 7.950 7.486 0.464 17717 19861 1 20 . 1 1 155 155 VAL N N 155 120.620 120.620 117.707 2.913 17717 19862 1 20 . 1 1 155 155 VAL HA H 155 4.012 4.012 3.370 0.642 17717 19863 1 20 . 1 1 155 155 VAL CA C 155 62.300 62.300 65.732 -3.432 17717 19864 1 20 . 1 1 155 155 VAL CB C 155 31.600 31.600 30.498 1.102 17717 19865 1 20 . 1 1 155 155 VAL H H 155 7.910 7.910 7.259 0.651 17717 19866 1 20 . 1 1 156 156 ASP N N 156 121.147 121.147 120.959 0.188 17717 19867 1 20 . 1 1 156 156 ASP HA H 156 4.440 4.440 4.281 0.159 17717 19868 1 20 . 1 1 156 156 ASP CA C 156 57.384 57.384 57.698 -0.314 17717 19869 1 20 . 1 1 156 156 ASP CB C 156 40.140 40.140 40.940 -0.800 17717 19870 1 20 . 1 1 156 156 ASP H H 156 8.100 8.100 8.453 -0.353 17717 19871 1 20 . 1 1 157 157 SER N N 157 116.366 116.366 116.372 -0.006 17717 19872 1 20 . 1 1 157 157 SER HA H 157 4.220 4.220 4.163 0.057 17717 19873 1 20 . 1 1 157 157 SER CA C 157 61.500 61.500 61.974 -0.474 17717 19874 1 20 . 1 1 157 157 SER CB C 157 62.500 62.500 63.132 -0.632 17717 19875 1 20 . 1 1 157 157 SER H H 157 8.700 8.700 7.914 0.786 17717 19876 1 20 . 1 1 158 158 LEU N N 158 123.272 123.272 122.665 0.607 17717 19877 1 20 . 1 1 158 158 LEU HA H 158 4.520 4.520 4.253 0.267 17717 19878 1 20 . 1 1 158 158 LEU CA C 158 57.140 57.140 58.085 -0.945 17717 19879 1 20 . 1 1 158 158 LEU CB C 158 40.900 40.900 41.868 -0.968 17717 19880 1 20 . 1 1 158 158 LEU H H 158 7.790 7.790 7.819 -0.029 17717 19881 1 20 . 1 1 159 159 ARG N N 159 119.553 119.553 116.362 3.191 17717 19882 1 20 . 1 1 159 159 ARG HA H 159 4.530 4.530 4.119 0.411 17717 19883 1 20 . 1 1 159 159 ARG CA C 159 56.800 56.800 59.039 -2.240 17717 19884 1 20 . 1 1 159 159 ARG CB C 159 29.000 29.000 30.021 -1.021 17717 19885 1 20 . 1 1 159 159 ARG H H 159 8.650 8.650 7.982 0.668 17717 19886 1 20 . 1 1 160 160 THR N N 160 115.304 115.304 115.289 0.015 17717 19887 1 20 . 1 1 160 160 THR HA H 160 3.880 3.880 4.056 -0.176 17717 19888 1 20 . 1 1 160 160 THR CA C 160 65.300 65.300 66.287 -0.987 17717 19889 1 20 . 1 1 160 160 THR CB C 160 68.900 68.900 68.367 0.533 17717 19890 1 20 . 1 1 160 160 THR H H 160 8.100 8.100 7.339 0.761 17717 19891 1 20 . 1 1 161 161 GLN N N 161 122.440 122.440 118.709 3.731 17717 19892 1 20 . 1 1 161 161 GLN HA H 161 4.220 4.220 4.398 -0.178 17717 19893 1 20 . 1 1 161 161 GLN CA C 161 56.900 56.900 58.042 -1.142 17717 19894 1 20 . 1 1 161 161 GLN CB C 161 26.160 26.160 28.898 -2.739 17717 19895 1 20 . 1 1 161 161 GLN H H 161 8.070 8.070 8.139 -0.069 17717 19896 1 20 . 1 1 162 162 LEU N N 162 115.398 115.398 121.557 -6.159 17717 19897 1 20 . 1 1 162 162 LEU HA H 162 4.220 4.220 4.419 -0.199 17717 19898 1 20 . 1 1 162 162 LEU CA C 162 56.500 56.500 55.860 0.640 17717 19899 1 20 . 1 1 162 162 LEU CB C 162 41.000 41.000 40.593 0.408 17717 19900 1 20 . 1 1 162 162 LEU H H 162 7.980 7.980 7.846 0.134 17717 19901 1 20 . 1 1 163 163 ALA N N 163 122.210 122.210 123.371 -1.161 17717 19902 1 20 . 1 1 163 163 ALA HA H 163 4.260 4.260 4.101 0.159 17717 19903 1 20 . 1 1 163 163 ALA CA C 163 56.560 56.560 57.006 -0.446 17717 19904 1 20 . 1 1 163 163 ALA CB C 163 15.000 15.000 16.074 -1.074 17717 19905 1 20 . 1 1 163 163 ALA H H 163 7.460 7.460 8.261 -0.801 17717 19906 1 20 . 1 1 164 164 PRO CA C 164 62.800 62.800 65.551 -2.751 17717 19907 1 20 . 1 1 164 164 PRO CB C 164 31.500 31.500 31.360 0.140 17717 19908 1 20 . 1 1 165 165 HIS N N 165 120.080 120.080 116.890 3.190 17717 19909 1 20 . 1 1 165 165 HIS HA H 165 4.390 4.390 4.269 0.121 17717 19910 1 20 . 1 1 165 165 HIS CA C 165 56.000 56.000 60.037 -4.037 17717 19911 1 20 . 1 1 165 165 HIS CB C 165 28.400 28.400 29.501 -1.101 17717 19912 1 20 . 1 1 165 165 HIS H H 165 8.060 8.060 7.955 0.105 17717 19913 1 20 . 1 1 166 166 SER N N 166 116.366 116.366 114.691 1.675 17717 19914 1 20 . 1 1 166 166 SER HA H 166 4.300 4.300 4.138 0.162 17717 19915 1 20 . 1 1 166 166 SER CA C 166 61.200 61.200 61.557 -0.357 17717 19916 1 20 . 1 1 166 166 SER CB C 166 63.000 63.000 63.095 -0.095 17717 19917 1 20 . 1 1 166 166 SER H H 166 8.040 8.040 8.422 -0.382 17717 19918 1 20 . 1 1 167 167 GLU N N 167 121.678 121.678 121.310 0.368 17717 19919 1 20 . 1 1 167 167 GLU HA H 167 3.922 3.922 4.000 -0.078 17717 19920 1 20 . 1 1 167 167 GLU CA C 167 62.800 62.800 59.676 3.124 17717 19921 1 20 . 1 1 167 167 GLU CB C 167 31.100 31.100 29.566 1.534 17717 19922 1 20 . 1 1 167 167 GLU H H 167 7.760 7.760 7.827 -0.067 17717 19923 1 20 . 1 1 168 168 GLN N N 168 121.147 121.147 118.583 2.564 17717 19924 1 20 . 1 1 168 168 GLN HA H 168 4.320 4.320 4.044 0.276 17717 19925 1 20 . 1 1 168 168 GLN CA C 168 55.300 55.300 58.450 -3.151 17717 19926 1 20 . 1 1 168 168 GLN CB C 168 28.200 28.200 28.323 -0.123 17717 19927 1 20 . 1 1 168 168 GLN H H 168 8.450 8.450 8.616 -0.166 17717 19928 1 20 . 1 1 170 170 ARG CA C 170 58.370 58.370 59.104 -0.734 17717 19929 1 20 . 1 1 170 170 ARG CB C 170 28.900 28.900 30.104 -1.204 17717 19930 1 20 . 1 1 171 171 GLU N N 171 117.960 117.960 120.043 -2.083 17717 19931 1 20 . 1 1 171 171 GLU HA H 171 4.140 4.140 4.214 -0.074 17717 19932 1 20 . 1 1 171 171 GLU CA C 171 57.300 57.300 59.393 -2.093 17717 19933 1 20 . 1 1 171 171 GLU CB C 171 29.200 29.200 29.700 -0.500 17717 19934 1 20 . 1 1 171 171 GLU H H 171 7.730 7.730 8.005 -0.275 17717 19935 1 20 . 1 1 172 172 SER N N 172 116.366 116.366 116.549 -0.183 17717 19936 1 20 . 1 1 172 172 SER HA H 172 4.270 4.270 4.180 0.090 17717 19937 1 20 . 1 1 172 172 SER CA C 172 58.000 58.000 62.225 -4.225 17717 19938 1 20 . 1 1 172 172 SER CB C 172 63.000 63.000 63.150 -0.150 17717 19939 1 20 . 1 1 172 172 SER H H 172 8.320 8.320 8.555 -0.235 17717 19940 1 20 . 1 1 173 173 LEU N N 173 124.866 124.866 122.114 2.752 17717 19941 1 20 . 1 1 173 173 LEU HA H 173 4.352 4.352 4.082 0.270 17717 19942 1 20 . 1 1 173 173 LEU CA C 173 54.540 54.540 57.370 -2.830 17717 19943 1 20 . 1 1 173 173 LEU CB C 173 41.400 41.400 41.400 -0.000 17717 19944 1 20 . 1 1 173 173 LEU H H 173 8.260 8.260 7.738 0.522 17717 19945 1 20 . 1 1 174 174 ALA N N 174 126.460 126.460 121.348 5.112 17717 19946 1 20 . 1 1 174 174 ALA HA H 174 4.270 4.270 3.769 0.501 17717 19947 1 20 . 1 1 174 174 ALA CA C 174 55.400 55.400 54.856 0.544 17717 19948 1 20 . 1 1 174 174 ALA CB C 174 17.200 17.200 17.960 -0.760 17717 19949 1 20 . 1 1 174 174 ALA H H 174 8.210 8.210 7.482 0.728 17717 19950 1 20 . 1 1 175 175 GLN N N 175 117.430 117.430 118.138 -0.708 17717 19951 1 20 . 1 1 175 175 GLN HA H 175 4.060 4.060 3.993 0.067 17717 19952 1 20 . 1 1 175 175 GLN CA C 175 58.600 58.600 58.336 0.264 17717 19953 1 20 . 1 1 175 175 GLN CB C 175 27.400 27.400 28.669 -1.269 17717 19954 1 20 . 1 1 175 175 GLN H H 175 8.450 8.450 7.747 0.703 17717 19955 1 20 . 1 1 176 176 ARG N N 176 119.550 119.550 121.030 -1.480 17717 19956 1 20 . 1 1 176 176 ARG HA H 176 4.180 4.180 3.948 0.232 17717 19957 1 20 . 1 1 176 176 ARG CA C 176 56.900 56.900 59.487 -2.587 17717 19958 1 20 . 1 1 176 176 ARG CB C 176 29.300 29.300 30.113 -0.813 17717 19959 1 20 . 1 1 176 176 ARG H H 176 8.070 8.070 8.064 0.006 17717 19960 1 20 . 1 1 177 177 LEU N N 177 115.840 115.840 116.918 -1.078 17717 19961 1 20 . 1 1 177 177 LEU HA H 177 4.180 4.180 3.851 0.329 17717 19962 1 20 . 1 1 177 177 LEU CA C 177 56.900 56.900 57.945 -1.045 17717 19963 1 20 . 1 1 177 177 LEU CB C 177 40.100 40.100 40.772 -0.672 17717 19964 1 20 . 1 1 177 177 LEU H H 177 8.330 8.330 7.575 0.755 17717 19965 1 20 . 1 1 178 178 ALA N N 178 121.220 121.220 120.850 0.370 17717 19966 1 20 . 1 1 178 178 ALA HA H 178 3.880 3.880 3.958 -0.078 17717 19967 1 20 . 1 1 178 178 ALA CA C 178 54.600 54.600 54.748 -0.148 17717 19968 1 20 . 1 1 178 178 ALA CB C 178 16.900 16.900 17.888 -0.988 17717 19969 1 20 . 1 1 178 178 ALA H H 178 8.570 8.570 7.594 0.976 17717 19970 1 20 . 1 1 179 179 GLU N N 179 118.490 118.490 120.018 -1.528 17717 19971 1 20 . 1 1 179 179 GLU HA H 179 4.180 4.180 4.000 0.180 17717 19972 1 20 . 1 1 179 179 GLU CA C 179 56.600 56.600 59.374 -2.774 17717 19973 1 20 . 1 1 179 179 GLU CB C 179 29.000 29.000 29.358 -0.358 17717 19974 1 20 . 1 1 179 179 GLU H H 179 7.680 7.680 7.814 -0.134 17717 19975 1 20 . 1 1 180 180 LEU N N 180 117.730 117.730 118.141 -0.411 17717 19976 1 20 . 1 1 180 180 LEU HA H 180 4.265 4.265 3.884 0.381 17717 19977 1 20 . 1 1 180 180 LEU CA C 180 55.020 55.020 57.054 -2.034 17717 19978 1 20 . 1 1 180 180 LEU CB C 180 41.100 41.100 41.233 -0.133 17717 19979 1 20 . 1 1 180 180 LEU H H 180 7.680 7.680 7.229 0.452 17717 19980 1 20 . 1 1 181 181 LYS N N 181 117.400 117.400 118.035 -0.635 17717 19981 1 20 . 1 1 181 181 LYS HA H 181 4.480 4.480 3.998 0.482 17717 19982 1 20 . 1 1 181 181 LYS CA C 181 61.900 61.900 58.554 3.346 17717 19983 1 20 . 1 1 181 181 LYS CB C 181 31.800 31.800 32.372 -0.572 17717 19984 1 20 . 1 1 181 181 LYS H H 181 7.510 7.510 7.616 -0.106 17717 19985 1 20 . 1 1 182 182 SER N N 182 114.010 114.010 114.432 -0.422 17717 19986 1 20 . 1 1 182 182 SER HA H 182 4.350 4.350 4.320 0.030 17717 19987 1 20 . 1 1 182 182 SER CA C 182 58.000 58.000 59.588 -1.588 17717 19988 1 20 . 1 1 182 182 SER CB C 182 63.300 63.300 64.093 -0.793 17717 19989 1 20 . 1 1 182 182 SER H H 182 7.920 7.920 8.131 -0.211 17717 19990 1 20 . 1 1 183 183 ASN N N 183 123.040 123.040 114.668 8.372 17717 19991 1 20 . 1 1 183 183 ASN HA H 183 4.310 4.310 4.891 -0.581 17717 19992 1 20 . 1 1 183 183 ASN CA C 183 55.115 55.115 51.950 3.165 17717 19993 1 20 . 1 1 183 183 ASN CB C 183 37.838 37.838 39.054 -1.216 17717 19994 1 20 . 1 1 183 183 ASN H H 183 8.250 8.250 7.822 0.428 17717 19995 1 20 . 1 1 184 184 PRO CA C 184 63.180 63.180 63.089 0.091 17717 19996 1 20 . 1 1 184 184 PRO CB C 184 31.400 31.400 31.057 0.343 17717 19997 1 20 . 1 1 185 185 THR N N 185 114.240 114.240 118.521 -4.281 17717 19998 1 20 . 1 1 185 185 THR HA H 185 4.270 4.270 4.336 -0.066 17717 19999 1 20 . 1 1 185 185 THR CA C 185 61.200 61.200 61.262 -0.062 17717 20000 1 20 . 1 1 185 185 THR CB C 185 69.100 69.100 69.907 -0.807 17717 20001 1 20 . 1 1 185 185 THR H H 185 8.150 8.150 7.810 0.340 17717 20002 1 20 . 1 1 186 186 LEU N N 186 123.270 123.270 115.448 7.822 17717 20003 1 20 . 1 1 186 186 LEU HA H 186 4.350 4.350 4.732 -0.382 17717 20004 1 20 . 1 1 186 186 LEU CA C 186 55.000 55.000 54.395 0.605 17717 20005 1 20 . 1 1 186 186 LEU CB C 186 41.000 41.000 43.640 -2.640 17717 20006 1 20 . 1 1 186 186 LEU H H 186 8.430 8.430 7.930 0.500 17717 20007 1 20 . 1 1 187 187 ASN N N 187 119.020 119.020 118.462 0.558 17717 20008 1 20 . 1 1 187 187 ASN HA H 187 4.530 4.530 4.884 -0.354 17717 20009 1 20 . 1 1 187 187 ASN CA C 187 53.400 53.400 52.296 1.104 17717 20010 1 20 . 1 1 187 187 ASN CB C 187 37.900 37.900 40.893 -2.993 17717 20011 1 20 . 1 1 187 187 ASN H H 187 8.370 8.370 8.064 0.306 17717 20012 1 20 . 1 1 188 188 GLU N N 188 123.270 123.270 121.711 1.559 17717 20013 1 20 . 1 1 188 188 GLU HA H 188 4.000 4.000 4.221 -0.221 17717 20014 1 20 . 1 1 188 188 GLU CA C 188 61.700 61.700 58.784 2.916 17717 20015 1 20 . 1 1 188 188 GLU CB C 188 32.100 32.100 30.461 1.639 17717 20016 1 20 . 1 1 188 188 GLU H H 188 7.870 7.870 8.704 -0.834 17717 20017 1 20 . 1 1 189 189 TYR N N 189 122.210 122.210 118.057 4.153 17717 20018 1 20 . 1 1 189 189 TYR HA H 189 4.440 4.440 4.633 -0.193 17717 20019 1 20 . 1 1 189 189 TYR CA C 189 57.120 57.120 56.782 0.338 17717 20020 1 20 . 1 1 189 189 TYR CB C 189 40.000 40.000 39.253 0.747 17717 20021 1 20 . 1 1 189 189 TYR H H 189 8.590 8.590 8.357 0.233 17717 20022 1 20 . 1 1 190 190 HIS N N 190 124.866 124.866 125.215 -0.349 17717 20023 1 20 . 1 1 190 190 HIS HA H 190 4.780 4.780 4.618 0.162 17717 20024 1 20 . 1 1 190 190 HIS CA C 190 56.000 56.000 55.077 0.923 17717 20025 1 20 . 1 1 190 190 HIS CB C 190 29.400 29.400 27.804 1.596 17717 20026 1 20 . 1 1 190 190 HIS H H 190 8.420 8.420 8.694 -0.274 17717 20027 1 20 . 1 1 191 191 SER N N 191 117.429 117.429 118.262 -0.833 17717 20028 1 20 . 1 1 191 191 SER HA H 191 4.140 4.140 4.021 0.119 17717 20029 1 20 . 1 1 191 191 SER CA C 191 58.140 58.140 61.365 -3.225 17717 20030 1 20 . 1 1 191 191 SER CB C 191 63.140 63.140 62.166 0.974 17717 20031 1 20 . 1 1 191 191 SER H H 191 8.270 8.270 8.920 -0.650 17717 20032 1 20 . 1 1 192 192 SER N N 192 124.335 124.335 116.996 7.339 17717 20033 1 20 . 1 1 192 192 SER HA H 192 4.730 4.730 4.053 0.677 17717 20034 1 20 . 1 1 192 192 SER CA C 192 59.020 59.020 59.025 -0.005 17717 20035 1 20 . 1 1 192 192 SER CB C 192 63.000 63.000 62.139 0.861 17717 20036 1 20 . 1 1 192 192 SER H H 192 8.010 8.010 8.415 -0.405 17717 20037 1 20 . 1 1 193 193 ALA N N 193 125.930 125.930 118.140 7.790 17717 20038 1 20 . 1 1 193 193 ALA HA H 193 4.310 4.310 4.256 0.054 17717 20039 1 20 . 1 1 193 193 ALA CA C 193 52.300 52.300 53.630 -1.330 17717 20040 1 20 . 1 1 193 193 ALA CB C 193 18.000 18.000 18.533 -0.533 17717 20041 1 20 . 1 1 193 193 ALA H H 193 8.100 8.100 7.997 0.103 17717 20042 1 20 . 1 1 194 194 LYS N N 194 126.460 126.460 117.376 9.084 17717 20043 1 20 . 1 1 194 194 LYS HA H 194 4.220 4.220 4.480 -0.260 17717 20044 1 20 . 1 1 194 194 LYS CA C 194 56.600 56.600 55.548 1.052 17717 20045 1 20 . 1 1 194 194 LYS CB C 194 33.000 33.000 35.027 -2.027 17717 20046 1 20 . 1 1 194 194 LYS H H 194 7.860 7.860 8.019 -0.159 17717 20047 1 20 . 1 1 195 195 SER N N 195 117.429 117.429 118.168 -0.739 17717 20048 1 20 . 1 1 195 195 SER HA H 195 4.430 4.430 4.242 0.188 17717 20049 1 20 . 1 1 195 195 SER CA C 195 58.499 58.499 59.384 -0.885 17717 20050 1 20 . 1 1 195 195 SER CB C 195 63.129 63.129 61.945 1.184 17717 20051 1 20 . 1 1 195 195 SER H H 195 8.240 8.240 9.081 -0.841 17717 20052 1 20 . 1 1 196 196 HIS N N 196 122.440 122.440 119.977 2.463 17717 20053 1 20 . 1 1 196 196 HIS HA H 196 4.222 4.222 4.298 -0.076 17717 20054 1 20 . 1 1 196 196 HIS CA C 196 55.743 55.743 59.432 -3.689 17717 20055 1 20 . 1 1 196 196 HIS CB C 196 28.566 28.566 29.966 -1.400 17717 20056 1 20 . 1 1 196 196 HIS H H 196 8.044 8.044 8.714 -0.670 17717 20057 1 20 . 1 1 197 197 LEU N N 197 117.429 117.429 119.422 -1.993 17717 20058 1 20 . 1 1 197 197 LEU HA H 197 4.179 4.179 4.107 0.072 17717 20059 1 20 . 1 1 197 197 LEU CA C 197 54.540 54.540 58.686 -4.146 17717 20060 1 20 . 1 1 197 197 LEU CB C 197 40.040 40.040 41.761 -1.721 17717 20061 1 20 . 1 1 197 197 LEU H H 197 8.044 8.044 8.390 -0.346 17717 20062 1 20 . 1 1 198 198 LYS N N 198 117.430 117.430 118.918 -1.488 17717 20063 1 20 . 1 1 198 198 LYS HA H 198 4.140 4.140 4.062 0.078 17717 20064 1 20 . 1 1 198 198 LYS CA C 198 57.600 57.600 59.323 -1.723 17717 20065 1 20 . 1 1 198 198 LYS CB C 198 32.000 32.000 31.817 0.183 17717 20066 1 20 . 1 1 198 198 LYS H H 198 7.510 7.510 7.498 0.012 17717 20067 1 20 . 1 1 199 199 SER N N 199 114.315 114.315 115.670 -1.355 17717 20068 1 20 . 1 1 199 199 SER HA H 199 4.310 4.310 4.207 0.103 17717 20069 1 20 . 1 1 199 199 SER CA C 199 62.000 62.000 61.428 0.572 17717 20070 1 20 . 1 1 199 199 SER CB C 199 63.600 63.600 63.087 0.512 17717 20071 1 20 . 1 1 199 199 SER H H 199 7.930 7.930 8.448 -0.518 17717 20072 1 20 . 1 1 200 200 LEU N N 200 124.335 124.335 122.911 1.424 17717 20073 1 20 . 1 1 200 200 LEU HA H 200 4.260 4.260 4.258 0.002 17717 20074 1 20 . 1 1 200 200 LEU CA C 200 55.200 55.200 57.483 -2.283 17717 20075 1 20 . 1 1 200 200 LEU CB C 200 41.200 41.200 41.963 -0.763 17717 20076 1 20 . 1 1 200 200 LEU H H 200 8.170 8.170 8.017 0.153 17717 20077 1 20 . 1 1 201 201 GLY N N 201 109.990 109.990 106.097 3.893 17717 20078 1 20 . 1 1 201 201 GLY CA C 201 44.700 44.700 46.747 -2.047 17717 20079 1 20 . 1 1 201 201 GLY H H 201 8.290 8.290 8.003 0.287 17717 20080 1 20 . 1 1 202 202 GLU N N 202 126.460 126.460 118.840 7.620 17717 20081 1 20 . 1 1 202 202 GLU HA H 202 4.220 4.220 4.254 -0.034 17717 20082 1 20 . 1 1 202 202 GLU CA C 202 56.600 56.600 57.705 -1.105 17717 20083 1 20 . 1 1 202 202 GLU CB C 202 32.800 32.800 29.873 2.927 17717 20084 1 20 . 1 1 202 202 GLU H H 202 7.750 7.750 7.880 -0.130 17717 20085 1 20 . 1 1 203 203 LYS CA C 203 55.775 55.775 54.814 0.961 17717 20086 1 20 . 1 1 203 203 LYS CB C 203 32.283 32.283 31.942 0.341 17717 20087 1 20 . 1 1 204 204 ALA N N 204 125.390 125.390 121.361 4.029 17717 20088 1 20 . 1 1 204 204 ALA HA H 204 4.310 4.310 4.567 -0.257 17717 20089 1 20 . 1 1 204 204 ALA CA C 204 52.000 52.000 50.730 1.270 17717 20090 1 20 . 1 1 204 204 ALA CB C 204 18.400 18.400 20.994 -2.595 17717 20091 1 20 . 1 1 204 204 ALA H H 204 8.180 8.180 7.055 1.125 17717 20092 1 20 . 1 1 205 205 ARG N N 205 121.150 121.150 119.433 1.717 17717 20093 1 20 . 1 1 205 205 ARG HA H 205 4.270 4.270 4.317 -0.047 17717 20094 1 20 . 1 1 205 205 ARG CA C 205 56.384 56.384 55.280 1.104 17717 20095 1 20 . 1 1 205 205 ARG CB C 205 29.193 29.193 30.260 -1.067 17717 20096 1 20 . 1 1 205 205 ARG H H 205 8.350 8.350 8.530 -0.180 17717 20097 1 20 . 1 1 206 206 PRO CA C 206 62.600 62.600 63.850 -1.250 17717 20098 1 20 . 1 1 206 206 PRO CB C 206 31.400 31.400 30.105 1.295 17717 20099 1 20 . 1 1 207 207 ALA N N 207 125.400 125.400 124.662 0.738 17717 20100 1 20 . 1 1 207 207 ALA HA H 207 4.308 4.308 4.324 -0.016 17717 20101 1 20 . 1 1 207 207 ALA CA C 207 51.700 51.700 53.016 -1.316 17717 20102 1 20 . 1 1 207 207 ALA CB C 207 18.200 18.200 19.844 -1.644 17717 20103 1 20 . 1 1 207 207 ALA H H 207 8.400 8.400 8.447 -0.047 17717 20104 1 20 . 1 1 208 208 LEU N N 208 121.680 121.680 121.938 -0.258 17717 20105 1 20 . 1 1 208 208 LEU HA H 208 4.480 4.480 4.158 0.322 17717 20106 1 20 . 1 1 208 208 LEU CA C 208 55.100 55.100 57.058 -1.958 17717 20107 1 20 . 1 1 208 208 LEU CB C 208 41.200 41.200 42.386 -1.186 17717 20108 1 20 . 1 1 208 208 LEU H H 208 8.180 8.180 7.780 0.400 17717 20109 1 20 . 1 1 209 209 GLU N N 209 121.147 121.147 118.790 2.357 17717 20110 1 20 . 1 1 209 209 GLU HA H 209 4.180 4.180 3.940 0.240 17717 20111 1 20 . 1 1 209 209 GLU CA C 209 56.477 56.477 60.035 -3.558 17717 20112 1 20 . 1 1 209 209 GLU CB C 209 29.250 29.250 29.230 0.020 17717 20113 1 20 . 1 1 209 209 GLU H H 209 8.380 8.380 8.480 -0.100 17717 20114 1 20 . 1 1 210 210 ASP N N 210 121.147 121.147 119.665 1.482 17717 20115 1 20 . 1 1 210 210 ASP HA H 210 4.260 4.260 4.680 -0.420 17717 20116 1 20 . 1 1 210 210 ASP CA C 210 55.000 55.000 56.905 -1.905 17717 20117 1 20 . 1 1 210 210 ASP CB C 210 37.200 37.200 40.949 -3.749 17717 20118 1 20 . 1 1 210 210 ASP H H 210 8.280 8.280 7.711 0.569 17717 20119 1 20 . 1 1 211 211 LEU N N 211 122.210 122.210 118.818 3.392 17717 20120 1 20 . 1 1 211 211 LEU HA H 211 4.220 4.220 4.058 0.162 17717 20121 1 20 . 1 1 211 211 LEU CA C 211 57.400 57.400 56.292 1.108 17717 20122 1 20 . 1 1 211 211 LEU CB C 211 39.430 39.430 41.561 -2.131 17717 20123 1 20 . 1 1 211 211 LEU H H 211 8.640 8.640 7.673 0.967 17717 20124 1 20 . 1 1 212 212 ARG N N 212 119.550 119.550 118.487 1.063 17717 20125 1 20 . 1 1 212 212 ARG HA H 212 4.220 4.220 4.011 0.209 17717 20126 1 20 . 1 1 212 212 ARG CA C 212 57.400 57.400 58.758 -1.359 17717 20127 1 20 . 1 1 212 212 ARG CB C 212 29.600 29.600 30.491 -0.891 17717 20128 1 20 . 1 1 212 212 ARG H H 212 7.910 7.910 7.729 0.181 17717 20129 1 20 . 1 1 213 213 HIS CA C 213 56.200 56.200 56.662 -0.462 17717 20130 1 20 . 1 1 213 213 HIS CB C 213 31.900 31.900 30.069 1.831 17717 20131 1 20 . 1 1 214 214 SER N N 214 116.366 116.366 116.831 -0.465 17717 20132 1 20 . 1 1 214 214 SER HA H 214 4.265 4.265 4.297 -0.032 17717 20133 1 20 . 1 1 214 214 SER CA C 214 61.100 61.100 57.913 3.187 17717 20134 1 20 . 1 1 214 214 SER CB C 214 63.100 63.100 61.669 1.431 17717 20135 1 20 . 1 1 214 214 SER H H 214 8.140 8.140 7.103 1.037 17717 20136 1 20 . 1 1 215 215 LEU N N 215 130.565 130.565 125.115 5.450 17717 20137 1 20 . 1 1 215 215 LEU HA H 215 4.730 4.730 4.607 0.123 17717 20138 1 20 . 1 1 215 215 LEU CA C 215 54.900 54.900 53.929 0.971 17717 20139 1 20 . 1 1 215 215 LEU CB C 215 42.000 42.000 44.542 -2.542 17717 20140 1 20 . 1 1 215 215 LEU H H 215 7.890 7.890 8.033 -0.143 17717 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 200 3.252 -0.974 3.110 17717 2 1 1 "Average Difference" HA 204 0.319 -0.093 0.306 17717 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17717 4 1 1 "Average Difference" CA 212 2.234 1.145 1.922 17717 5 1 1 "Average Difference" CB 205 1.232 0.489 1.133 17717 6 1 1 "Average Difference" HN 200 0.567 -0.105 0.559 17717 7 1 2 "Average Difference" N 200 3.187 -0.810 3.090 17717 8 1 2 "Average Difference" HA 204 0.320 -0.094 0.307 17717 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17717 10 1 2 "Average Difference" CA 212 2.209 1.144 1.894 17717 11 1 2 "Average Difference" CB 205 1.255 0.450 1.174 17717 12 1 2 "Average Difference" HN 200 0.589 -0.112 0.579 17717 13 1 3 "Average Difference" N 200 3.361 -1.230 3.135 17717 14 1 3 "Average Difference" HA 204 0.325 -0.095 0.311 17717 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17717 16 1 3 "Average Difference" CA 212 2.203 1.142 1.889 17717 17 1 3 "Average Difference" CB 205 1.205 0.454 1.119 17717 18 1 3 "Average Difference" HN 200 0.586 -0.121 0.575 17717 19 1 4 "Average Difference" N 200 3.512 -1.181 3.316 17717 20 1 4 "Average Difference" HA 204 0.307 -0.082 0.297 17717 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17717 22 1 4 "Average Difference" CA 212 2.225 1.144 1.912 17717 23 1 4 "Average Difference" CB 205 1.229 0.442 1.149 17717 24 1 4 "Average Difference" HN 200 0.591 -0.125 0.579 17717 25 1 5 "Average Difference" N 200 3.320 -0.966 3.184 17717 26 1 5 "Average Difference" HA 204 0.315 -0.097 0.301 17717 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17717 28 1 5 "Average Difference" CA 212 2.228 1.118 1.932 17717 29 1 5 "Average Difference" CB 205 1.257 0.466 1.170 17717 30 1 5 "Average Difference" HN 200 0.591 -0.114 0.581 17717 31 1 6 "Average Difference" N 200 3.307 -1.204 3.087 17717 32 1 6 "Average Difference" HA 204 0.320 -0.092 0.307 17717 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17717 34 1 6 "Average Difference" CA 212 2.202 1.162 1.875 17717 35 1 6 "Average Difference" CB 205 1.205 0.471 1.112 17717 36 1 6 "Average Difference" HN 200 0.598 -0.140 0.582 17717 37 1 7 "Average Difference" N 200 3.388 -1.188 3.181 17717 38 1 7 "Average Difference" HA 204 0.318 -0.087 0.306 17717 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17717 40 1 7 "Average Difference" CA 212 2.185 1.146 1.864 17717 41 1 7 "Average Difference" CB 205 1.248 0.485 1.153 17717 42 1 7 "Average Difference" HN 200 0.578 -0.122 0.567 17717 43 1 8 "Average Difference" N 200 3.127 -0.870 3.011 17717 44 1 8 "Average Difference" HA 204 0.325 -0.098 0.311 17717 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17717 46 1 8 "Average Difference" CA 212 2.204 1.151 1.883 17717 47 1 8 "Average Difference" CB 205 1.207 0.444 1.125 17717 48 1 8 "Average Difference" HN 200 0.592 -0.117 0.582 17717 49 1 9 "Average Difference" N 200 3.287 -1.129 3.095 17717 50 1 9 "Average Difference" HA 204 0.325 -0.106 0.309 17717 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17717 52 1 9 "Average Difference" CA 212 2.160 1.141 1.838 17717 53 1 9 "Average Difference" CB 205 1.232 0.476 1.139 17717 54 1 9 "Average Difference" HN 200 0.596 -0.118 0.586 17717 55 1 10 "Average Difference" N 200 3.487 -1.138 3.304 17717 56 1 10 "Average Difference" HA 204 0.325 -0.106 0.308 17717 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17717 58 1 10 "Average Difference" CA 212 2.187 1.173 1.850 17717 59 1 10 "Average Difference" CB 205 1.258 0.465 1.171 17717 60 1 10 "Average Difference" HN 200 0.586 -0.126 0.574 17717 61 1 11 "Average Difference" N 200 3.322 -0.989 3.179 17717 62 1 11 "Average Difference" HA 204 0.318 -0.093 0.304 17717 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17717 64 1 11 "Average Difference" CA 212 2.221 1.107 1.930 17717 65 1 11 "Average Difference" CB 205 1.209 0.454 1.124 17717 66 1 11 "Average Difference" HN 200 0.578 -0.131 0.564 17717 67 1 12 "Average Difference" N 200 3.327 -1.019 3.176 17717 68 1 12 "Average Difference" HA 204 0.310 -0.098 0.295 17717 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17717 70 1 12 "Average Difference" CA 212 2.214 1.144 1.901 17717 71 1 12 "Average Difference" CB 205 1.248 0.465 1.161 17717 72 1 12 "Average Difference" HN 200 0.577 -0.134 0.563 17717 73 1 13 "Average Difference" N 200 3.246 -1.129 3.051 17717 74 1 13 "Average Difference" HA 204 0.322 -0.085 0.312 17717 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17717 76 1 13 "Average Difference" CA 212 2.213 1.135 1.904 17717 77 1 13 "Average Difference" CB 205 1.265 0.468 1.178 17717 78 1 13 "Average Difference" HN 200 0.590 -0.121 0.579 17717 79 1 14 "Average Difference" N 200 3.232 -1.156 3.025 17717 80 1 14 "Average Difference" HA 204 0.324 -0.104 0.308 17717 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17717 82 1 14 "Average Difference" CA 212 2.217 1.137 1.908 17717 83 1 14 "Average Difference" CB 205 1.243 0.445 1.163 17717 84 1 14 "Average Difference" HN 200 0.599 -0.155 0.580 17717 85 1 15 "Average Difference" N 200 3.227 -1.056 3.056 17717 86 1 15 "Average Difference" HA 204 0.315 -0.090 0.303 17717 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17717 88 1 15 "Average Difference" CA 212 2.211 1.132 1.904 17717 89 1 15 "Average Difference" CB 205 1.233 0.459 1.147 17717 90 1 15 "Average Difference" HN 200 0.607 -0.131 0.594 17717 91 1 16 "Average Difference" N 200 3.301 -1.053 3.136 17717 92 1 16 "Average Difference" HA 204 0.324 -0.110 0.306 17717 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17717 94 1 16 "Average Difference" CA 212 2.174 1.149 1.850 17717 95 1 16 "Average Difference" CB 205 1.197 0.402 1.130 17717 96 1 16 "Average Difference" HN 200 0.594 -0.136 0.580 17717 97 1 17 "Average Difference" N 200 3.346 -1.164 3.145 17717 98 1 17 "Average Difference" HA 204 0.314 -0.090 0.301 17717 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17717 100 1 17 "Average Difference" CA 212 2.231 1.143 1.921 17717 101 1 17 "Average Difference" CB 205 1.247 0.508 1.141 17717 102 1 17 "Average Difference" HN 200 0.571 -0.131 0.557 17717 103 1 18 "Average Difference" N 200 3.382 -0.972 3.248 17717 104 1 18 "Average Difference" HA 204 0.351 -0.091 0.340 17717 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17717 106 1 18 "Average Difference" CA 212 2.257 1.144 1.951 17717 107 1 18 "Average Difference" CB 205 1.264 0.442 1.187 17717 108 1 18 "Average Difference" HN 200 0.578 -0.141 0.562 17717 109 1 19 "Average Difference" N 200 3.225 -1.010 3.071 17717 110 1 19 "Average Difference" HA 204 0.310 -0.092 0.296 17717 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17717 112 1 19 "Average Difference" CA 212 2.182 1.189 1.833 17717 113 1 19 "Average Difference" CB 205 1.225 0.418 1.154 17717 114 1 19 "Average Difference" HN 200 0.581 -0.116 0.571 17717 115 1 20 "Average Difference" N 200 3.366 -1.081 3.195 17717 116 1 20 "Average Difference" HA 204 0.323 -0.100 0.308 17717 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17717 118 1 20 "Average Difference" CA 212 2.214 1.157 1.892 17717 119 1 20 "Average Difference" CB 205 1.243 0.424 1.171 17717 120 1 20 "Average Difference" HN 200 0.596 -0.124 0.585 17717 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 17717 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 GLU N N 2 121.678 121.678 121.585 0.093 17717 2 1 . 1 1 2 2 GLU HA H 2 4.488 4.488 4.477 0.011 17717 3 1 . 1 1 2 2 GLU CA C 2 56.418 56.418 55.541 0.877 17717 4 1 . 1 1 2 2 GLU CB C 2 29.014 29.014 30.407 -1.393 17717 5 1 . 1 1 2 2 GLU H H 2 8.276 8.276 8.329 -0.053 17717 6 1 . 1 1 3 3 PRO CA C 3 62.923 62.923 63.363 -0.440 17717 7 1 . 1 1 3 3 PRO CB C 3 31.547 31.547 32.127 -0.580 17717 8 1 . 1 1 4 4 GLN N N 4 121.147 121.147 120.429 0.718 17717 9 1 . 1 1 4 4 GLN HA H 4 4.349 4.349 4.385 -0.036 17717 10 1 . 1 1 4 4 GLN CA C 4 55.450 55.450 56.687 -1.237 17717 11 1 . 1 1 4 4 GLN CB C 4 28.854 28.854 29.750 -0.896 17717 12 1 . 1 1 4 4 GLN H H 4 8.500 8.500 8.574 -0.074 17717 13 1 . 1 1 5 5 SER N N 5 117.429 117.429 112.117 5.312 17717 14 1 . 1 1 5 5 SER HA H 5 4.329 4.329 3.445 0.885 17717 15 1 . 1 1 5 5 SER CA C 5 58.100 58.100 57.740 0.360 17717 16 1 . 1 1 5 5 SER CB C 5 63.485 63.485 63.643 -0.158 17717 17 1 . 1 1 5 5 SER H H 5 8.370 8.370 8.180 0.190 17717 18 1 . 1 1 6 6 GLN N N 6 123.803 123.803 121.498 2.305 17717 19 1 . 1 1 6 6 GLN CA C 6 56.330 56.330 58.775 -2.445 17717 20 1 . 1 1 6 6 GLN CB C 6 28.800 28.800 28.733 0.067 17717 21 1 . 1 1 6 6 GLN H H 6 8.620 8.620 8.446 0.174 17717 22 1 . 1 1 7 7 TRP N N 7 119.022 119.022 118.701 0.321 17717 23 1 . 1 1 7 7 TRP HA H 7 4.394 4.394 4.446 -0.052 17717 24 1 . 1 1 7 7 TRP CA C 7 59.800 59.800 59.681 0.119 17717 25 1 . 1 1 7 7 TRP CB C 7 27.800 27.800 28.240 -0.440 17717 26 1 . 1 1 7 7 TRP H H 7 7.970 7.970 8.246 -0.276 17717 27 1 . 1 1 8 8 ASP N N 8 121.678 121.678 120.238 1.440 17717 28 1 . 1 1 8 8 ASP HA H 8 4.409 4.409 4.305 0.104 17717 29 1 . 1 1 8 8 ASP CA C 8 56.912 56.912 57.345 -0.432 17717 30 1 . 1 1 8 8 ASP CB C 8 38.400 38.400 39.987 -1.587 17717 31 1 . 1 1 8 8 ASP H H 8 8.440 8.440 7.317 1.123 17717 32 1 . 1 1 9 9 LYS N N 9 120.616 120.616 120.660 -0.044 17717 33 1 . 1 1 9 9 LYS HA H 9 4.090 4.090 4.121 -0.031 17717 34 1 . 1 1 9 9 LYS CA C 9 58.277 58.277 58.815 -0.538 17717 35 1 . 1 1 9 9 LYS CB C 9 31.550 31.550 32.235 -0.685 17717 36 1 . 1 1 9 9 LYS H H 9 7.830 7.830 7.257 0.573 17717 37 1 . 1 1 10 10 VAL N N 10 118.491 118.491 115.572 2.919 17717 38 1 . 1 1 10 10 VAL HA H 10 3.830 3.830 4.210 -0.380 17717 39 1 . 1 1 10 10 VAL CA C 10 65.630 65.630 66.694 -1.064 17717 40 1 . 1 1 10 10 VAL CB C 10 31.300 31.300 31.310 -0.010 17717 41 1 . 1 1 10 10 VAL H H 10 7.160 7.160 8.107 -0.947 17717 42 1 . 1 1 11 11 LYS N N 11 122.210 122.210 119.077 3.133 17717 43 1 . 1 1 11 11 LYS HA H 11 3.880 3.880 3.890 -0.010 17717 44 1 . 1 1 11 11 LYS CA C 11 59.460 59.460 59.345 0.115 17717 45 1 . 1 1 11 11 LYS CB C 11 31.200 31.200 32.040 -0.840 17717 46 1 . 1 1 11 11 LYS H H 11 8.660 8.660 7.748 0.912 17717 47 1 . 1 1 12 12 ASP N N 12 119.553 119.553 120.564 -1.011 17717 48 1 . 1 1 12 12 ASP HA H 12 4.140 4.140 4.451 -0.311 17717 49 1 . 1 1 12 12 ASP CA C 12 57.381 57.381 57.359 0.022 17717 50 1 . 1 1 12 12 ASP CB C 12 39.800 39.800 40.922 -1.122 17717 51 1 . 1 1 12 12 ASP H H 12 7.790 7.790 7.796 -0.006 17717 52 1 . 1 1 13 13 PHE N N 13 116.500 116.500 118.744 -2.244 17717 53 1 . 1 1 13 13 PHE HA H 13 4.690 4.690 4.239 0.451 17717 54 1 . 1 1 13 13 PHE CA C 13 58.662 58.662 60.334 -1.672 17717 55 1 . 1 1 13 13 PHE CB C 13 38.700 38.700 37.933 0.767 17717 56 1 . 1 1 13 13 PHE H H 13 7.680 7.680 7.732 -0.052 17717 57 1 . 1 1 14 14 ALA N N 14 122.209 122.209 122.683 -0.474 17717 58 1 . 1 1 14 14 ALA HA H 14 4.008 4.008 3.720 0.288 17717 59 1 . 1 1 14 14 ALA CA C 14 54.550 54.550 54.725 -0.175 17717 60 1 . 1 1 14 14 ALA CB C 14 17.250 17.250 17.995 -0.745 17717 61 1 . 1 1 14 14 ALA H H 14 8.760 8.760 7.326 1.434 17717 62 1 . 1 1 15 15 ASN N N 15 119.553 119.553 115.217 4.336 17717 63 1 . 1 1 15 15 ASN HA H 15 4.520 4.520 4.356 0.164 17717 64 1 . 1 1 15 15 ASN CA C 15 56.084 56.084 55.171 0.913 17717 65 1 . 1 1 15 15 ASN CB C 15 38.544 38.544 38.480 0.064 17717 66 1 . 1 1 15 15 ASN H H 15 8.930 8.930 7.551 1.379 17717 67 1 . 1 1 16 16 VAL N N 16 116.897 116.897 121.821 -4.924 17717 68 1 . 1 1 16 16 VAL HA H 16 3.590 3.590 3.628 -0.038 17717 69 1 . 1 1 16 16 VAL CA C 16 64.600 64.600 67.703 -3.103 17717 70 1 . 1 1 16 16 VAL CB C 16 31.800 31.800 31.648 0.152 17717 71 1 . 1 1 16 16 VAL H H 16 7.870 7.870 7.500 0.370 17717 72 1 . 1 1 17 17 TYR N N 17 112.116 112.116 117.574 -5.458 17717 73 1 . 1 1 17 17 TYR HA H 17 4.751 4.751 4.354 0.397 17717 74 1 . 1 1 17 17 TYR CA C 17 59.040 59.040 60.733 -1.693 17717 75 1 . 1 1 17 17 TYR CB C 17 39.060 39.060 37.181 1.879 17717 76 1 . 1 1 17 17 TYR H H 17 8.000 8.000 8.219 -0.219 17717 77 1 . 1 1 18 18 VAL N N 18 114.241 114.241 120.707 -6.466 17717 78 1 . 1 1 18 18 VAL HA H 18 4.220 4.220 3.394 0.826 17717 79 1 . 1 1 18 18 VAL CA C 18 63.520 63.520 66.546 -3.026 17717 80 1 . 1 1 18 18 VAL CB C 18 31.128 31.128 31.350 -0.222 17717 81 1 . 1 1 18 18 VAL H H 18 7.600 7.600 6.798 0.802 17717 82 1 . 1 1 19 19 ASP N N 19 123.272 123.272 120.000 3.272 17717 83 1 . 1 1 19 19 ASP HA H 19 4.523 4.523 4.322 0.201 17717 84 1 . 1 1 19 19 ASP CA C 19 56.445 56.445 57.542 -1.097 17717 85 1 . 1 1 19 19 ASP CB C 19 38.700 38.700 40.853 -2.153 17717 86 1 . 1 1 19 19 ASP H H 19 8.890 8.890 8.141 0.749 17717 87 1 . 1 1 20 20 ALA N N 20 118.491 118.491 122.672 -4.181 17717 88 1 . 1 1 20 20 ALA HA H 20 4.230 4.230 4.268 -0.038 17717 89 1 . 1 1 20 20 ALA CA C 20 54.100 54.100 55.312 -1.213 17717 90 1 . 1 1 20 20 ALA CB C 20 18.760 18.760 18.996 -0.236 17717 91 1 . 1 1 20 20 ALA H H 20 6.630 6.630 7.551 -0.921 17717 92 1 . 1 1 21 21 VAL N N 21 116.897 116.897 116.535 0.362 17717 93 1 . 1 1 21 21 VAL HA H 21 3.664 3.664 3.644 0.020 17717 94 1 . 1 1 21 21 VAL CA C 21 66.200 66.200 65.571 0.629 17717 95 1 . 1 1 21 21 VAL CB C 21 30.460 30.460 31.408 -0.948 17717 96 1 . 1 1 21 21 VAL H H 21 7.410 7.410 7.702 -0.292 17717 97 1 . 1 1 22 22 LYS N N 22 121.147 121.147 119.723 1.424 17717 98 1 . 1 1 22 22 LYS HA H 22 4.222 4.222 4.023 0.199 17717 99 1 . 1 1 22 22 LYS CA C 22 59.300 59.300 59.195 0.105 17717 100 1 . 1 1 22 22 LYS CB C 22 31.100 31.100 31.870 -0.770 17717 101 1 . 1 1 22 22 LYS H H 22 8.180 8.180 8.256 -0.076 17717 102 1 . 1 1 23 23 ASP N N 23 121.278 121.278 119.215 2.063 17717 103 1 . 1 1 23 23 ASP HA H 23 4.566 4.566 4.496 0.070 17717 104 1 . 1 1 23 23 ASP CA C 23 56.300 56.300 57.006 -0.707 17717 105 1 . 1 1 23 23 ASP CB C 23 38.800 38.800 40.746 -1.946 17717 106 1 . 1 1 23 23 ASP H H 23 8.860 8.860 7.856 1.004 17717 107 1 . 1 1 24 24 SER N N 24 118.491 118.491 115.024 3.467 17717 108 1 . 1 1 24 24 SER HA H 24 4.132 4.132 3.886 0.246 17717 109 1 . 1 1 24 24 SER CA C 24 61.600 61.600 60.818 0.782 17717 110 1 . 1 1 24 24 SER CB C 24 62.442 62.442 62.243 0.199 17717 111 1 . 1 1 24 24 SER H H 24 7.950 7.950 8.007 -0.057 17717 112 1 . 1 1 25 25 GLY N N 25 108.377 108.377 110.831 -2.454 17717 113 1 . 1 1 25 25 GLY CA C 25 44.400 44.400 46.700 -2.300 17717 114 1 . 1 1 25 25 GLY H H 25 7.560 7.560 7.719 -0.159 17717 115 1 . 1 1 26 26 ARG N N 26 124.240 124.240 121.540 2.700 17717 116 1 . 1 1 26 26 ARG HA H 26 4.303 4.303 4.144 0.159 17717 117 1 . 1 1 26 26 ARG CA C 26 54.000 54.000 58.628 -4.628 17717 118 1 . 1 1 26 26 ARG CB C 26 28.240 28.240 29.931 -1.691 17717 119 1 . 1 1 26 26 ARG H H 26 8.200 8.200 7.741 0.459 17717 120 1 . 1 1 27 27 ASP N N 27 121.678 121.678 118.735 2.943 17717 121 1 . 1 1 27 27 ASP HA H 27 4.211 4.211 4.544 -0.333 17717 122 1 . 1 1 27 27 ASP CA C 27 58.380 58.380 57.198 1.182 17717 123 1 . 1 1 27 27 ASP CB C 27 40.400 40.400 41.528 -1.128 17717 124 1 . 1 1 27 27 ASP H H 27 7.880 7.880 7.692 0.188 17717 125 1 . 1 1 28 28 TYR N N 28 121.440 121.440 121.851 -0.411 17717 126 1 . 1 1 28 28 TYR HA H 28 4.480 4.480 4.536 -0.056 17717 127 1 . 1 1 28 28 TYR CA C 28 57.800 57.800 60.243 -2.443 17717 128 1 . 1 1 28 28 TYR CB C 28 38.322 38.322 38.758 -0.436 17717 129 1 . 1 1 28 28 TYR H H 28 8.020 8.020 8.259 -0.239 17717 130 1 . 1 1 29 29 VAL N N 29 123.272 123.272 118.603 4.669 17717 131 1 . 1 1 29 29 VAL HA H 29 4.040 4.040 3.515 0.525 17717 132 1 . 1 1 29 29 VAL CA C 29 66.400 66.400 64.711 1.689 17717 133 1 . 1 1 29 29 VAL CB C 29 30.500 30.500 30.984 -0.484 17717 134 1 . 1 1 29 29 VAL H H 29 8.280 8.280 8.190 0.090 17717 135 1 . 1 1 30 30 SER N N 30 117.429 117.429 116.138 1.291 17717 136 1 . 1 1 30 30 SER HA H 30 4.000 4.000 4.071 -0.071 17717 137 1 . 1 1 30 30 SER CA C 30 61.070 61.070 61.833 -0.763 17717 138 1 . 1 1 30 30 SER CB C 30 62.000 62.000 62.828 -0.828 17717 139 1 . 1 1 30 30 SER H H 30 8.930 8.930 7.598 1.332 17717 140 1 . 1 1 31 31 GLN N N 31 121.147 121.147 121.345 -0.198 17717 141 1 . 1 1 31 31 GLN HA H 31 4.136 4.136 4.042 0.094 17717 142 1 . 1 1 31 31 GLN CA C 31 58.210 58.210 58.515 -0.305 17717 143 1 . 1 1 31 31 GLN CB C 31 27.600 27.600 28.397 -0.797 17717 144 1 . 1 1 31 31 GLN H H 31 7.740 7.740 7.456 0.284 17717 145 1 . 1 1 32 32 PHE N N 32 117.429 117.429 119.798 -2.369 17717 146 1 . 1 1 32 32 PHE HA H 32 4.020 4.020 3.983 0.037 17717 147 1 . 1 1 32 32 PHE CA C 32 60.600 60.600 61.209 -0.609 17717 148 1 . 1 1 32 32 PHE CB C 32 36.896 36.896 38.690 -1.794 17717 149 1 . 1 1 32 32 PHE H H 32 7.200 7.200 7.610 -0.410 17717 150 1 . 1 1 33 33 GLU N N 33 122.210 122.210 118.339 3.871 17717 151 1 . 1 1 33 33 GLU HA H 33 4.769 4.769 3.549 1.220 17717 152 1 . 1 1 33 33 GLU CA C 33 59.220 59.220 58.816 0.404 17717 153 1 . 1 1 33 33 GLU CB C 33 29.240 29.240 29.023 0.217 17717 154 1 . 1 1 33 33 GLU H H 33 8.160 8.160 7.720 0.440 17717 155 1 . 1 1 34 34 SER N N 34 109.991 109.991 113.653 -3.662 17717 156 1 . 1 1 34 34 SER HA H 34 4.309 4.309 4.245 0.064 17717 157 1 . 1 1 34 34 SER CA C 34 58.240 58.240 60.655 -2.414 17717 158 1 . 1 1 34 34 SER CB C 34 63.260 63.260 62.840 0.420 17717 159 1 . 1 1 34 34 SER H H 34 7.890 7.890 7.587 0.302 17717 160 1 . 1 1 35 35 SER N N 35 120.085 120.085 118.456 1.629 17717 161 1 . 1 1 35 35 SER HA H 35 4.354 4.354 4.062 0.292 17717 162 1 . 1 1 35 35 SER CA C 35 58.100 58.100 61.785 -3.685 17717 163 1 . 1 1 35 35 SER CB C 35 64.398 64.398 62.772 1.626 17717 164 1 . 1 1 35 35 SER H H 35 7.420 7.420 8.021 -0.601 17717 165 1 . 1 1 36 36 SER N N 36 116.130 116.130 118.718 -2.588 17717 166 1 . 1 1 36 36 SER HA H 36 4.350 4.350 4.092 0.258 17717 167 1 . 1 1 36 36 SER CA C 36 58.600 58.600 61.894 -3.294 17717 168 1 . 1 1 36 36 SER CB C 36 63.370 63.370 62.803 0.567 17717 169 1 . 1 1 36 36 SER H H 36 8.100 8.100 7.529 0.571 17717 170 1 . 1 1 37 37 LEU N N 37 121.678 121.678 121.490 0.188 17717 171 1 . 1 1 37 37 LEU HA H 37 4.222 4.222 4.088 0.134 17717 172 1 . 1 1 37 37 LEU CA C 37 56.400 56.400 57.033 -0.633 17717 173 1 . 1 1 37 37 LEU CB C 37 41.200 41.200 41.811 -0.611 17717 174 1 . 1 1 37 37 LEU H H 37 8.290 8.290 7.406 0.884 17717 175 1 . 1 1 38 38 GLY N N 38 108.400 108.400 105.063 3.337 17717 176 1 . 1 1 38 38 GLY CA C 38 46.220 46.220 46.512 -0.292 17717 177 1 . 1 1 38 38 GLY H H 38 7.280 7.280 8.040 -0.760 17717 178 1 . 1 1 39 39 GLN N N 39 120.920 120.920 122.492 -1.572 17717 179 1 . 1 1 39 39 GLN HA H 39 4.092 4.092 4.019 0.072 17717 180 1 . 1 1 39 39 GLN CA C 39 57.423 57.423 58.803 -1.380 17717 181 1 . 1 1 39 39 GLN CB C 39 28.847 28.847 28.439 0.408 17717 182 1 . 1 1 39 39 GLN H H 39 8.360 8.360 7.898 0.462 17717 183 1 . 1 1 40 40 GLN N N 40 118.648 118.648 118.985 -0.337 17717 184 1 . 1 1 40 40 GLN HA H 40 4.040 4.040 4.078 -0.038 17717 185 1 . 1 1 40 40 GLN CA C 40 57.471 57.471 58.465 -0.994 17717 186 1 . 1 1 40 40 GLN CB C 40 28.777 28.777 28.397 0.380 17717 187 1 . 1 1 40 40 GLN H H 40 7.630 7.630 7.682 -0.052 17717 188 1 . 1 1 41 41 LEU N N 41 116.800 116.800 121.897 -5.097 17717 189 1 . 1 1 41 41 LEU HA H 41 4.222 4.222 3.980 0.242 17717 190 1 . 1 1 41 41 LEU CA C 41 55.400 55.400 58.142 -2.742 17717 191 1 . 1 1 41 41 LEU CB C 41 41.754 41.754 42.045 -0.291 17717 192 1 . 1 1 41 41 LEU H H 41 8.010 8.010 7.850 0.160 17717 193 1 . 1 1 42 42 ASN N N 42 115.840 115.840 117.436 -1.596 17717 194 1 . 1 1 42 42 ASN HA H 42 4.485 4.485 4.395 0.090 17717 195 1 . 1 1 42 42 ASN CA C 42 53.500 53.500 56.271 -2.771 17717 196 1 . 1 1 42 42 ASN CB C 42 37.000 37.000 38.641 -1.641 17717 197 1 . 1 1 42 42 ASN H H 42 7.840 7.840 7.793 0.047 17717 198 1 . 1 1 43 43 LEU N N 43 118.490 118.490 120.611 -2.121 17717 199 1 . 1 1 43 43 LEU HA H 43 4.480 4.480 4.147 0.333 17717 200 1 . 1 1 43 43 LEU CA C 43 55.502 55.502 57.658 -2.156 17717 201 1 . 1 1 43 43 LEU CB C 43 41.200 41.200 41.242 -0.042 17717 202 1 . 1 1 43 43 LEU H H 43 9.670 9.670 7.972 1.698 17717 203 1 . 1 1 44 44 ASN N N 44 119.553 119.553 117.397 2.156 17717 204 1 . 1 1 44 44 ASN HA H 44 4.520 4.520 4.509 0.011 17717 205 1 . 1 1 44 44 ASN CA C 44 52.770 52.770 56.474 -3.704 17717 206 1 . 1 1 44 44 ASN CB C 44 36.200 36.200 38.474 -2.274 17717 207 1 . 1 1 44 44 ASN H H 44 8.950 8.950 8.033 0.917 17717 208 1 . 1 1 45 45 LEU N N 45 119.553 119.553 118.016 1.537 17717 209 1 . 1 1 45 45 LEU HA H 45 4.048 4.048 4.301 -0.253 17717 210 1 . 1 1 45 45 LEU CA C 45 55.569 55.569 57.757 -2.188 17717 211 1 . 1 1 45 45 LEU CB C 45 41.250 41.250 41.581 -0.331 17717 212 1 . 1 1 45 45 LEU H H 45 8.970 8.970 7.645 1.325 17717 213 1 . 1 1 46 46 LEU N N 46 116.900 116.900 119.265 -2.365 17717 214 1 . 1 1 46 46 LEU HA H 46 4.351 4.351 4.230 0.121 17717 215 1 . 1 1 46 46 LEU CA C 46 54.684 54.684 57.667 -2.983 17717 216 1 . 1 1 46 46 LEU CB C 46 39.800 39.800 42.304 -2.504 17717 217 1 . 1 1 46 46 LEU H H 46 8.450 8.450 7.246 1.204 17717 218 1 . 1 1 47 47 GLU N N 47 122.741 122.741 118.774 3.967 17717 219 1 . 1 1 47 47 GLU HA H 47 4.018 4.018 3.991 0.027 17717 220 1 . 1 1 47 47 GLU CA C 47 58.280 58.280 59.423 -1.143 17717 221 1 . 1 1 47 47 GLU CB C 47 28.800 28.800 29.314 -0.515 17717 222 1 . 1 1 47 47 GLU H H 47 7.490 7.490 8.152 -0.662 17717 223 1 . 1 1 48 48 ASN N N 48 117.200 117.200 118.469 -1.269 17717 224 1 . 1 1 48 48 ASN HA H 48 4.300 4.300 4.539 -0.239 17717 225 1 . 1 1 48 48 ASN CA C 48 53.550 53.550 55.730 -2.180 17717 226 1 . 1 1 48 48 ASN CB C 48 38.490 38.490 38.375 0.115 17717 227 1 . 1 1 48 48 ASN H H 48 8.450 8.450 8.504 -0.054 17717 228 1 . 1 1 49 49 TRP N N 49 119.320 119.320 119.924 -0.604 17717 229 1 . 1 1 49 49 TRP HA H 49 4.300 4.300 4.457 -0.157 17717 230 1 . 1 1 49 49 TRP CA C 49 56.200 56.200 59.670 -3.470 17717 231 1 . 1 1 49 49 TRP CB C 49 27.800 27.800 29.573 -1.773 17717 232 1 . 1 1 49 49 TRP H H 49 8.050 8.050 7.666 0.384 17717 233 1 . 1 1 50 50 ASP N N 50 124.860 124.860 116.651 8.209 17717 234 1 . 1 1 50 50 ASP HA H 50 4.690 4.690 4.557 0.133 17717 235 1 . 1 1 50 50 ASP CA C 50 54.180 54.180 55.581 -1.401 17717 236 1 . 1 1 50 50 ASP CB C 50 40.318 40.318 42.453 -2.135 17717 237 1 . 1 1 50 50 ASP H H 50 8.470 8.470 7.893 0.577 17717 238 1 . 1 1 51 51 THR N N 51 114.240 114.240 113.415 0.825 17717 239 1 . 1 1 51 51 THR HA H 51 4.250 4.250 4.348 -0.098 17717 240 1 . 1 1 51 51 THR CA C 51 61.800 61.800 62.546 -0.746 17717 241 1 . 1 1 51 51 THR CB C 51 69.000 69.000 69.853 -0.853 17717 242 1 . 1 1 51 51 THR H H 51 7.920 7.920 8.180 -0.260 17717 243 1 . 1 1 52 52 LEU N N 52 124.335 124.335 123.110 1.225 17717 244 1 . 1 1 52 52 LEU HA H 52 4.261 4.261 4.258 0.003 17717 245 1 . 1 1 52 52 LEU CA C 52 54.800 54.800 55.737 -0.937 17717 246 1 . 1 1 52 52 LEU CB C 52 41.200 41.200 42.265 -1.065 17717 247 1 . 1 1 52 52 LEU H H 52 8.000 8.000 8.263 -0.263 17717 248 1 . 1 1 53 53 GLY N N 53 109.991 109.991 110.085 -0.094 17717 249 1 . 1 1 53 53 GLY CA C 53 44.700 44.700 45.142 -0.442 17717 250 1 . 1 1 53 53 GLY H H 53 8.450 8.450 8.409 0.041 17717 251 1 . 1 1 54 54 SER N N 54 113.710 113.710 115.868 -2.158 17717 252 1 . 1 1 54 54 SER HA H 54 4.480 4.480 4.360 0.120 17717 253 1 . 1 1 54 54 SER CA C 54 57.300 57.300 59.239 -1.939 17717 254 1 . 1 1 54 54 SER CB C 54 63.100 63.100 63.548 -0.448 17717 255 1 . 1 1 54 54 SER H H 54 8.060 8.060 8.165 -0.105 17717 256 1 . 1 1 55 55 THR N N 55 116.897 116.897 116.114 0.783 17717 257 1 . 1 1 55 55 THR HA H 55 4.044 4.044 4.479 -0.435 17717 258 1 . 1 1 55 55 THR CA C 55 61.700 61.700 61.906 -0.206 17717 259 1 . 1 1 55 55 THR CB C 55 69.800 69.800 70.279 -0.479 17717 260 1 . 1 1 55 55 THR H H 55 8.210 8.210 8.119 0.091 17717 261 1 . 1 1 56 56 VAL N N 56 123.300 123.300 116.969 6.331 17717 262 1 . 1 1 56 56 VAL HA H 56 3.793 3.793 4.337 -0.544 17717 263 1 . 1 1 56 56 VAL CA C 56 66.384 66.384 61.710 4.674 17717 264 1 . 1 1 56 56 VAL CB C 56 30.268 30.268 31.402 -1.134 17717 265 1 . 1 1 56 56 VAL H H 56 8.280 8.280 8.047 0.233 17717 266 1 . 1 1 57 57 SER N N 57 117.429 117.429 116.126 1.303 17717 267 1 . 1 1 57 57 SER HA H 57 4.136 4.136 4.311 -0.175 17717 268 1 . 1 1 57 57 SER CA C 57 61.100 61.100 60.463 0.637 17717 269 1 . 1 1 57 57 SER CB C 57 62.800 62.800 63.481 -0.681 17717 270 1 . 1 1 57 57 SER H H 57 7.850 7.850 8.426 -0.576 17717 271 1 . 1 1 58 58 GLN N N 58 128.580 128.580 115.736 12.844 17717 272 1 . 1 1 58 58 GLN HA H 58 4.260 4.260 4.364 -0.104 17717 273 1 . 1 1 58 58 GLN CA C 58 56.642 56.642 57.067 -0.425 17717 274 1 . 1 1 58 58 GLN CB C 58 29.023 29.023 28.987 0.036 17717 275 1 . 1 1 58 58 GLN H H 58 7.990 7.990 8.115 -0.125 17717 276 1 . 1 1 59 59 LEU N N 59 122.210 122.210 119.915 2.295 17717 277 1 . 1 1 59 59 LEU HA H 59 4.310 4.310 4.002 0.308 17717 278 1 . 1 1 59 59 LEU CA C 59 55.300 55.300 58.834 -3.534 17717 279 1 . 1 1 59 59 LEU CB C 59 41.160 41.160 40.982 0.178 17717 280 1 . 1 1 59 59 LEU H H 59 8.050 8.050 8.246 -0.196 17717 281 1 . 1 1 60 60 GLN N N 60 120.085 120.085 118.646 1.439 17717 282 1 . 1 1 60 60 GLN HA H 60 4.222 4.222 4.106 0.116 17717 283 1 . 1 1 60 60 GLN CA C 60 55.960 55.960 59.129 -3.169 17717 284 1 . 1 1 60 60 GLN CB C 60 27.900 27.900 28.058 -0.158 17717 285 1 . 1 1 60 60 GLN H H 60 8.210 8.210 8.553 -0.343 17717 286 1 . 1 1 61 61 GLU N N 61 120.920 120.920 118.657 2.263 17717 287 1 . 1 1 61 61 GLU HA H 61 4.216 4.216 3.987 0.229 17717 288 1 . 1 1 61 61 GLU CA C 61 56.900 56.900 59.338 -2.439 17717 289 1 . 1 1 61 61 GLU CB C 61 28.500 28.500 29.297 -0.796 17717 290 1 . 1 1 61 61 GLU H H 61 8.590 8.590 8.601 -0.011 17717 291 1 . 1 1 62 62 ARG N N 62 118.833 118.833 118.025 0.808 17717 292 1 . 1 1 62 62 ARG HA H 62 4.161 4.161 4.209 -0.048 17717 293 1 . 1 1 62 62 ARG CA C 62 58.030 58.030 58.036 -0.006 17717 294 1 . 1 1 62 62 ARG CB C 62 29.400 29.400 30.327 -0.927 17717 295 1 . 1 1 62 62 ARG H H 62 7.680 7.680 8.225 -0.545 17717 296 1 . 1 1 63 63 LEU N N 63 118.790 118.790 120.681 -1.891 17717 297 1 . 1 1 63 63 LEU HA H 63 4.100 4.100 4.081 0.019 17717 298 1 . 1 1 63 63 LEU CA C 63 56.360 56.360 57.521 -1.161 17717 299 1 . 1 1 63 63 LEU CB C 63 41.130 41.130 41.363 -0.233 17717 300 1 . 1 1 63 63 LEU H H 63 8.320 8.320 7.786 0.534 17717 301 1 . 1 1 64 64 GLY N N 64 104.679 104.679 108.106 -3.427 17717 302 1 . 1 1 64 64 GLY CA C 64 44.145 44.145 48.049 -3.904 17717 303 1 . 1 1 64 64 GLY H H 64 7.220 7.220 8.335 -1.115 17717 304 1 . 1 1 65 65 PRO CA C 65 62.817 62.817 64.825 -2.009 17717 305 1 . 1 1 65 65 PRO CB C 65 31.290 31.290 31.414 -0.124 17717 306 1 . 1 1 66 66 LEU N N 66 124.866 124.866 120.866 4.000 17717 307 1 . 1 1 66 66 LEU HA H 66 4.609 4.609 4.259 0.350 17717 308 1 . 1 1 66 66 LEU CA C 66 52.900 52.900 58.635 -5.735 17717 309 1 . 1 1 66 66 LEU CB C 66 43.200 43.200 41.042 2.158 17717 310 1 . 1 1 66 66 LEU H H 66 8.550 8.550 7.993 0.557 17717 311 1 . 1 1 67 67 THR N N 67 112.116 112.116 113.072 -0.956 17717 312 1 . 1 1 67 67 THR HA H 67 4.824 4.824 4.433 0.391 17717 313 1 . 1 1 67 67 THR CA C 67 59.240 59.240 66.115 -6.875 17717 314 1 . 1 1 67 67 THR CB C 67 71.550 71.550 68.953 2.597 17717 315 1 . 1 1 67 67 THR H H 67 7.650 7.650 7.907 -0.257 17717 316 1 . 1 1 68 68 ARG N N 68 120.085 120.085 119.961 0.124 17717 317 1 . 1 1 68 68 ARG HA H 68 4.230 4.230 3.988 0.242 17717 318 1 . 1 1 68 68 ARG CA C 68 58.600 58.600 59.188 -0.588 17717 319 1 . 1 1 68 68 ARG CB C 68 28.900 28.900 30.006 -1.106 17717 320 1 . 1 1 68 68 ARG H H 68 8.950 8.950 7.546 1.404 17717 321 1 . 1 1 69 69 ASP N N 69 116.366 116.366 120.083 -3.717 17717 322 1 . 1 1 69 69 ASP HA H 69 4.249 4.249 4.355 -0.106 17717 323 1 . 1 1 69 69 ASP CA C 69 56.100 56.100 58.456 -2.356 17717 324 1 . 1 1 69 69 ASP CB C 69 39.550 39.550 40.725 -1.175 17717 325 1 . 1 1 69 69 ASP H H 69 8.100 8.100 7.830 0.270 17717 326 1 . 1 1 70 70 PHE N N 70 119.553 119.553 118.780 0.773 17717 327 1 . 1 1 70 70 PHE HA H 70 4.090 4.090 3.909 0.181 17717 328 1 . 1 1 70 70 PHE CA C 70 60.700 60.700 59.367 1.333 17717 329 1 . 1 1 70 70 PHE CB C 70 38.100 38.100 37.661 0.439 17717 330 1 . 1 1 70 70 PHE H H 70 7.420 7.420 7.179 0.241 17717 331 1 . 1 1 71 71 TRP N N 71 120.085 120.085 122.307 -2.222 17717 332 1 . 1 1 71 71 TRP HA H 71 4.044 4.044 3.274 0.770 17717 333 1 . 1 1 71 71 TRP CA C 71 58.100 58.100 61.504 -3.404 17717 334 1 . 1 1 71 71 TRP CB C 71 28.100 28.100 28.752 -0.652 17717 335 1 . 1 1 71 71 TRP H H 71 6.950 6.950 7.088 -0.138 17717 336 1 . 1 1 72 72 ASP N N 72 121.450 121.450 117.762 3.688 17717 337 1 . 1 1 72 72 ASP HA H 72 4.310 4.310 3.416 0.894 17717 338 1 . 1 1 72 72 ASP CA C 72 55.350 55.350 56.619 -1.269 17717 339 1 . 1 1 72 72 ASP CB C 72 40.000 40.000 40.371 -0.371 17717 340 1 . 1 1 72 72 ASP H H 72 8.350 8.350 7.753 0.597 17717 341 1 . 1 1 73 73 ASN N N 73 117.200 117.200 118.479 -1.279 17717 342 1 . 1 1 73 73 ASN HA H 73 4.220 4.220 4.364 -0.144 17717 343 1 . 1 1 73 73 ASN CA C 73 54.500 54.500 56.487 -1.987 17717 344 1 . 1 1 73 73 ASN CB C 73 40.000 40.000 38.856 1.144 17717 345 1 . 1 1 73 73 ASN H H 73 7.700 7.700 7.703 -0.003 17717 346 1 . 1 1 74 74 LEU N N 74 123.600 123.600 120.068 3.532 17717 347 1 . 1 1 74 74 LEU HA H 74 4.350 4.350 4.386 -0.036 17717 348 1 . 1 1 74 74 LEU CA C 74 54.700 54.700 57.732 -3.032 17717 349 1 . 1 1 74 74 LEU CB C 74 41.400 41.400 42.219 -0.819 17717 350 1 . 1 1 74 74 LEU H H 74 8.330 8.330 8.415 -0.085 17717 351 1 . 1 1 75 75 GLU N N 75 121.400 121.400 120.474 0.926 17717 352 1 . 1 1 75 75 GLU HA H 75 4.000 4.000 3.784 0.216 17717 353 1 . 1 1 75 75 GLU CA C 75 58.200 58.200 59.187 -0.987 17717 354 1 . 1 1 75 75 GLU CB C 75 28.400 28.400 28.807 -0.407 17717 355 1 . 1 1 75 75 GLU H H 75 8.600 8.600 8.262 0.338 17717 356 1 . 1 1 76 76 LYS N N 76 118.000 118.000 118.836 -0.836 17717 357 1 . 1 1 76 76 LYS HA H 76 4.117 4.117 4.112 0.005 17717 358 1 . 1 1 76 76 LYS CA C 76 58.400 58.400 58.862 -0.462 17717 359 1 . 1 1 76 76 LYS CB C 76 32.480 32.480 32.428 0.052 17717 360 1 . 1 1 76 76 LYS H H 76 7.690 7.690 7.375 0.315 17717 361 1 . 1 1 77 77 GLU N N 77 115.835 115.835 119.125 -3.290 17717 362 1 . 1 1 77 77 GLU HA H 77 4.310 4.310 3.971 0.339 17717 363 1 . 1 1 77 77 GLU CA C 77 54.785 54.785 60.169 -5.384 17717 364 1 . 1 1 77 77 GLU CB C 77 28.355 28.355 29.408 -1.053 17717 365 1 . 1 1 77 77 GLU H H 77 8.290 8.290 7.801 0.489 17717 366 1 . 1 1 78 78 THR N N 78 120.300 120.300 112.426 7.874 17717 367 1 . 1 1 78 78 THR HA H 78 4.410 4.410 3.892 0.518 17717 368 1 . 1 1 78 78 THR CA C 78 68.100 68.100 66.550 1.550 17717 369 1 . 1 1 78 78 THR CB C 78 69.451 69.451 68.575 0.876 17717 370 1 . 1 1 78 78 THR H H 78 7.490 7.490 8.277 -0.787 17717 371 1 . 1 1 79 79 ASP N N 79 120.085 120.085 121.828 -1.743 17717 372 1 . 1 1 79 79 ASP HA H 79 4.480 4.480 4.352 0.128 17717 373 1 . 1 1 79 79 ASP CA C 79 57.426 57.426 57.177 0.249 17717 374 1 . 1 1 79 79 ASP CB C 79 39.240 39.240 40.724 -1.484 17717 375 1 . 1 1 79 79 ASP H H 79 8.880 8.880 7.750 1.130 17717 376 1 . 1 1 80 80 TRP N N 80 123.803 123.803 122.022 1.781 17717 377 1 . 1 1 80 80 TRP HA H 80 4.280 4.280 4.347 -0.067 17717 378 1 . 1 1 80 80 TRP CA C 80 60.660 60.660 61.651 -0.991 17717 379 1 . 1 1 80 80 TRP CB C 80 27.000 27.000 30.366 -3.366 17717 380 1 . 1 1 80 80 TRP H H 80 7.760 7.760 7.933 -0.173 17717 381 1 . 1 1 81 81 VAL N N 81 118.790 118.790 117.290 1.500 17717 382 1 . 1 1 81 81 VAL HA H 81 4.280 4.280 3.861 0.419 17717 383 1 . 1 1 81 81 VAL CA C 81 61.200 61.200 66.294 -5.094 17717 384 1 . 1 1 81 81 VAL CB C 81 29.900 29.900 31.715 -1.815 17717 385 1 . 1 1 81 81 VAL H H 81 8.160 8.160 8.916 -0.756 17717 386 1 . 1 1 82 82 ARG N N 82 119.190 119.190 119.929 -0.739 17717 387 1 . 1 1 82 82 ARG HA H 82 4.480 4.480 3.965 0.515 17717 388 1 . 1 1 82 82 ARG CA C 82 58.400 58.400 59.399 -0.999 17717 389 1 . 1 1 82 82 ARG CB C 82 29.800 29.800 30.104 -0.304 17717 390 1 . 1 1 82 82 ARG H H 82 7.100 7.100 8.429 -1.329 17717 391 1 . 1 1 83 83 GLN N N 83 117.960 117.960 118.304 -0.344 17717 392 1 . 1 1 83 83 GLN HA H 83 4.222 4.222 3.966 0.256 17717 393 1 . 1 1 83 83 GLN CA C 83 55.600 55.600 58.469 -2.869 17717 394 1 . 1 1 83 83 GLN CB C 83 28.550 28.550 28.233 0.317 17717 395 1 . 1 1 83 83 GLN H H 83 8.050 8.050 7.744 0.306 17717 396 1 . 1 1 84 84 GLU N N 84 119.022 119.022 118.693 0.329 17717 397 1 . 1 1 84 84 GLU HA H 84 4.100 4.100 3.944 0.156 17717 398 1 . 1 1 84 84 GLU CA C 84 57.300 57.300 58.218 -0.918 17717 399 1 . 1 1 84 84 GLU CB C 84 28.600 28.600 29.053 -0.453 17717 400 1 . 1 1 84 84 GLU H H 84 7.920 7.920 8.327 -0.407 17717 401 1 . 1 1 85 85 MET N N 85 117.565 117.565 120.477 -2.913 17717 402 1 . 1 1 85 85 MET HA H 85 4.265 4.265 3.965 0.299 17717 403 1 . 1 1 85 85 MET CA C 85 55.020 55.020 59.158 -4.138 17717 404 1 . 1 1 85 85 MET CB C 85 33.000 33.000 32.148 0.852 17717 405 1 . 1 1 85 85 MET H H 85 8.230 8.230 7.678 0.552 17717 406 1 . 1 1 86 86 ASN N N 86 119.022 119.022 116.469 2.553 17717 407 1 . 1 1 86 86 ASN HA H 86 4.570 4.570 4.492 0.078 17717 408 1 . 1 1 86 86 ASN CA C 86 56.000 56.000 55.920 0.080 17717 409 1 . 1 1 86 86 ASN CB C 86 37.700 37.700 38.528 -0.828 17717 410 1 . 1 1 86 86 ASN H H 86 8.600 8.600 7.733 0.867 17717 411 1 . 1 1 87 87 LYS N N 87 120.273 120.273 120.512 -0.239 17717 412 1 . 1 1 87 87 LYS HA H 87 4.100 4.100 3.896 0.204 17717 413 1 . 1 1 87 87 LYS CA C 87 59.000 59.000 59.687 -0.687 17717 414 1 . 1 1 87 87 LYS CB C 87 30.900 30.900 32.158 -1.258 17717 415 1 . 1 1 87 87 LYS H H 87 7.220 7.220 7.573 -0.353 17717 416 1 . 1 1 88 88 ASP N N 88 121.147 121.147 119.049 2.098 17717 417 1 . 1 1 88 88 ASP HA H 88 4.480 4.480 4.399 0.081 17717 418 1 . 1 1 88 88 ASP CA C 88 56.840 56.840 57.200 -0.360 17717 419 1 . 1 1 88 88 ASP CB C 88 39.450 39.450 40.587 -1.137 17717 420 1 . 1 1 88 88 ASP H H 88 7.390 7.390 8.043 -0.653 17717 421 1 . 1 1 89 89 LEU N N 89 122.741 122.741 119.990 2.751 17717 422 1 . 1 1 89 89 LEU HA H 89 4.470 4.470 3.929 0.541 17717 423 1 . 1 1 89 89 LEU CA C 89 57.000 57.000 58.605 -1.605 17717 424 1 . 1 1 89 89 LEU CB C 89 41.000 41.000 42.190 -1.190 17717 425 1 . 1 1 89 89 LEU H H 89 8.910 8.910 7.450 1.460 17717 426 1 . 1 1 90 90 GLU N N 90 119.553 119.553 117.604 1.949 17717 427 1 . 1 1 90 90 GLU HA H 90 4.050 4.050 4.133 -0.083 17717 428 1 . 1 1 90 90 GLU CA C 90 59.100 59.100 58.530 0.570 17717 429 1 . 1 1 90 90 GLU CB C 90 28.556 28.556 29.676 -1.120 17717 430 1 . 1 1 90 90 GLU H H 90 8.260 8.260 7.797 0.463 17717 431 1 . 1 1 91 91 GLU N N 91 119.190 119.190 120.156 -0.966 17717 432 1 . 1 1 91 91 GLU HA H 91 4.136 4.136 4.145 -0.009 17717 433 1 . 1 1 91 91 GLU CA C 91 58.600 58.600 59.271 -0.671 17717 434 1 . 1 1 91 91 GLU CB C 91 28.600 28.600 29.942 -1.342 17717 435 1 . 1 1 91 91 GLU H H 91 7.470 7.470 8.090 -0.620 17717 436 1 . 1 1 92 92 VAL N N 92 122.230 122.230 115.783 6.447 17717 437 1 . 1 1 92 92 VAL HA H 92 3.837 3.837 3.931 -0.094 17717 438 1 . 1 1 92 92 VAL CA C 92 65.900 65.900 66.322 -0.422 17717 439 1 . 1 1 92 92 VAL CB C 92 29.200 29.200 32.064 -2.864 17717 440 1 . 1 1 92 92 VAL H H 92 8.420 8.420 8.273 0.147 17717 441 1 . 1 1 93 93 LYS N N 93 121.300 121.300 118.457 2.843 17717 442 1 . 1 1 93 93 LYS HA H 93 3.836 3.836 4.205 -0.369 17717 443 1 . 1 1 93 93 LYS CA C 93 59.900 59.900 58.695 1.205 17717 444 1 . 1 1 93 93 LYS CB C 93 31.277 31.277 31.943 -0.666 17717 445 1 . 1 1 93 93 LYS H H 93 9.000 9.000 7.660 1.340 17717 446 1 . 1 1 94 94 GLN N N 94 116.900 116.900 116.881 0.019 17717 447 1 . 1 1 94 94 GLN HA H 94 4.094 4.094 4.316 -0.222 17717 448 1 . 1 1 94 94 GLN CA C 94 57.731 57.731 57.766 -0.035 17717 449 1 . 1 1 94 94 GLN CB C 94 27.700 27.700 28.507 -0.807 17717 450 1 . 1 1 94 94 GLN H H 94 7.320 7.320 7.700 -0.380 17717 451 1 . 1 1 95 95 LYS N N 95 119.190 119.190 119.283 -0.093 17717 452 1 . 1 1 95 95 LYS HA H 95 4.137 4.137 4.232 -0.095 17717 453 1 . 1 1 95 95 LYS CA C 95 57.700 57.700 58.473 -0.773 17717 454 1 . 1 1 95 95 LYS CB C 95 31.800 31.800 33.219 -1.419 17717 455 1 . 1 1 95 95 LYS H H 95 7.590 7.590 7.653 -0.063 17717 456 1 . 1 1 96 96 VAL N N 96 111.000 111.000 116.710 -5.710 17717 457 1 . 1 1 96 96 VAL HA H 96 4.138 4.138 3.644 0.494 17717 458 1 . 1 1 96 96 VAL CA C 96 61.600 61.600 65.641 -4.041 17717 459 1 . 1 1 96 96 VAL CB C 96 31.500 31.500 31.443 0.057 17717 460 1 . 1 1 96 96 VAL H H 96 7.960 7.960 7.689 0.271 17717 461 1 . 1 1 97 97 GLN N N 97 122.210 122.210 119.824 2.386 17717 462 1 . 1 1 97 97 GLN HA H 97 4.030 4.030 4.021 0.009 17717 463 1 . 1 1 97 97 GLN CA C 97 59.226 59.226 58.755 0.471 17717 464 1 . 1 1 97 97 GLN CB C 97 24.578 24.578 26.724 -2.146 17717 465 1 . 1 1 97 97 GLN H H 97 7.380 7.380 8.272 -0.892 17717 466 1 . 1 1 98 98 PRO CA C 98 65.400 65.400 63.241 2.159 17717 467 1 . 1 1 98 98 PRO CB C 98 30.336 30.336 32.136 -1.800 17717 468 1 . 1 1 99 99 TYR N N 99 116.900 116.900 115.603 1.297 17717 469 1 . 1 1 99 99 TYR HA H 99 4.480 4.480 4.170 0.310 17717 470 1 . 1 1 99 99 TYR CA C 99 58.446 58.446 58.438 0.008 17717 471 1 . 1 1 99 99 TYR CB C 99 36.344 36.344 35.769 0.575 17717 472 1 . 1 1 99 99 TYR H H 99 7.100 7.100 7.743 -0.643 17717 473 1 . 1 1 100 100 LEU N N 100 123.270 123.270 123.304 -0.034 17717 474 1 . 1 1 100 100 LEU HA H 100 3.964 3.964 4.607 -0.643 17717 475 1 . 1 1 100 100 LEU CA C 100 57.300 57.300 54.557 2.743 17717 476 1 . 1 1 100 100 LEU CB C 100 40.950 40.950 43.184 -2.234 17717 477 1 . 1 1 100 100 LEU H H 100 7.500 7.500 7.958 -0.458 17717 478 1 . 1 1 101 101 ASP N N 101 119.500 119.500 118.800 0.700 17717 479 1 . 1 1 101 101 ASP HA H 101 3.810 3.810 4.661 -0.851 17717 480 1 . 1 1 101 101 ASP CA C 101 58.200 58.200 54.337 3.863 17717 481 1 . 1 1 101 101 ASP CB C 101 39.100 39.100 40.099 -0.999 17717 482 1 . 1 1 101 101 ASP H H 101 8.450 8.450 8.232 0.218 17717 483 1 . 1 1 102 102 GLU N N 102 121.221 121.221 120.923 0.298 17717 484 1 . 1 1 102 102 GLU HA H 102 4.222 4.222 3.972 0.250 17717 485 1 . 1 1 102 102 GLU CA C 102 59.200 59.200 58.962 0.238 17717 486 1 . 1 1 102 102 GLU CB C 102 31.100 31.100 28.871 2.229 17717 487 1 . 1 1 102 102 GLU H H 102 8.190 8.190 8.458 -0.268 17717 488 1 . 1 1 103 103 PHE N N 103 124.065 124.065 119.475 4.590 17717 489 1 . 1 1 103 103 PHE HA H 103 4.520 4.520 4.204 0.316 17717 490 1 . 1 1 103 103 PHE CA C 103 57.183 57.183 60.700 -3.517 17717 491 1 . 1 1 103 103 PHE CB C 103 38.608 38.608 37.720 0.888 17717 492 1 . 1 1 103 103 PHE H H 103 8.170 8.170 7.313 0.857 17717 493 1 . 1 1 104 104 GLN N N 104 123.272 123.272 118.340 4.932 17717 494 1 . 1 1 104 104 GLN HA H 104 4.222 4.222 4.062 0.160 17717 495 1 . 1 1 104 104 GLN CA C 104 55.460 55.460 58.635 -3.175 17717 496 1 . 1 1 104 104 GLN CB C 104 29.200 29.200 28.398 0.802 17717 497 1 . 1 1 104 104 GLN H H 104 8.030 8.030 8.569 -0.539 17717 498 1 . 1 1 105 105 LYS N N 105 119.600 119.600 120.815 -1.215 17717 499 1 . 1 1 105 105 LYS HA H 105 4.136 4.136 4.069 0.067 17717 500 1 . 1 1 105 105 LYS CA C 105 57.830 57.830 59.282 -1.452 17717 501 1 . 1 1 105 105 LYS CB C 105 32.220 32.220 32.272 -0.052 17717 502 1 . 1 1 105 105 LYS H H 105 7.800 7.800 8.065 -0.265 17717 503 1 . 1 1 106 106 LYS N N 106 117.960 117.960 120.836 -2.876 17717 504 1 . 1 1 106 106 LYS HA H 106 4.093 4.093 4.076 0.017 17717 505 1 . 1 1 106 106 LYS CA C 106 57.860 57.860 59.345 -1.485 17717 506 1 . 1 1 106 106 LYS CB C 106 32.080 32.080 31.884 0.196 17717 507 1 . 1 1 106 106 LYS H H 106 7.740 7.740 8.001 -0.261 17717 508 1 . 1 1 107 107 TRP N N 107 119.320 119.320 119.473 -0.153 17717 509 1 . 1 1 107 107 TRP HA H 107 4.310 4.310 4.333 -0.023 17717 510 1 . 1 1 107 107 TRP CA C 107 54.900 54.900 60.117 -5.217 17717 511 1 . 1 1 107 107 TRP CB C 107 28.400 28.400 29.377 -0.977 17717 512 1 . 1 1 107 107 TRP H H 107 8.390 8.390 7.756 0.634 17717 513 1 . 1 1 108 108 LYS N N 108 120.390 120.390 119.461 0.929 17717 514 1 . 1 1 108 108 LYS HA H 108 4.350 4.350 3.788 0.562 17717 515 1 . 1 1 108 108 LYS CA C 108 58.170 58.170 58.400 -0.230 17717 516 1 . 1 1 108 108 LYS CB C 108 30.250 30.250 32.029 -1.779 17717 517 1 . 1 1 108 108 LYS H H 108 7.420 7.420 7.878 -0.458 17717 518 1 . 1 1 109 109 GLU N N 109 120.220 120.220 120.170 0.050 17717 519 1 . 1 1 109 109 GLU HA H 109 3.922 3.922 4.002 -0.080 17717 520 1 . 1 1 109 109 GLU CA C 109 58.230 58.230 59.424 -1.194 17717 521 1 . 1 1 109 109 GLU CB C 109 29.230 29.230 29.756 -0.526 17717 522 1 . 1 1 109 109 GLU H H 109 7.800 7.800 7.568 0.232 17717 523 1 . 1 1 110 110 ASP N N 110 121.678 121.678 119.903 1.775 17717 524 1 . 1 1 110 110 ASP HA H 110 4.096 4.096 4.210 -0.114 17717 525 1 . 1 1 110 110 ASP CA C 110 57.514 57.514 57.264 0.250 17717 526 1 . 1 1 110 110 ASP CB C 110 40.005 40.005 40.460 -0.455 17717 527 1 . 1 1 110 110 ASP H H 110 8.220 8.220 8.399 -0.179 17717 528 1 . 1 1 111 111 VAL N N 111 123.537 123.537 117.606 5.931 17717 529 1 . 1 1 111 111 VAL CA C 111 66.380 66.380 66.138 0.242 17717 530 1 . 1 1 111 111 VAL CB C 111 30.800 30.800 30.847 -0.047 17717 531 1 . 1 1 111 111 VAL H H 111 9.170 9.170 7.322 1.848 17717 532 1 . 1 1 112 112 GLU N N 112 120.200 120.200 120.675 -0.475 17717 533 1 . 1 1 112 112 GLU HA H 112 4.179 4.179 3.979 0.200 17717 534 1 . 1 1 112 112 GLU CA C 112 58.431 58.431 59.411 -0.980 17717 535 1 . 1 1 112 112 GLU CB C 112 27.878 27.878 29.422 -1.544 17717 536 1 . 1 1 112 112 GLU H H 112 7.540 7.540 7.386 0.154 17717 537 1 . 1 1 113 113 LEU N N 113 120.815 120.815 118.525 2.290 17717 538 1 . 1 1 113 113 LEU HA H 113 4.439 4.439 3.791 0.648 17717 539 1 . 1 1 113 113 LEU CA C 113 53.800 53.800 57.686 -3.886 17717 540 1 . 1 1 113 113 LEU CB C 113 41.060 41.060 40.710 0.350 17717 541 1 . 1 1 113 113 LEU H H 113 7.900 7.900 7.448 0.452 17717 542 1 . 1 1 114 114 TYR N N 114 120.920 120.920 120.138 0.782 17717 543 1 . 1 1 114 114 TYR HA H 114 4.520 4.520 4.009 0.511 17717 544 1 . 1 1 114 114 TYR CA C 114 56.942 56.942 61.547 -4.605 17717 545 1 . 1 1 114 114 TYR CB C 114 37.834 37.834 38.357 -0.523 17717 546 1 . 1 1 114 114 TYR H H 114 8.370 8.370 8.183 0.187 17717 547 1 . 1 1 115 115 ARG N N 115 118.260 118.260 117.623 0.637 17717 548 1 . 1 1 115 115 ARG HA H 115 4.820 4.820 3.804 1.016 17717 549 1 . 1 1 115 115 ARG CA C 115 55.700 55.700 59.484 -3.784 17717 550 1 . 1 1 115 115 ARG CB C 115 30.600 30.600 29.565 1.035 17717 551 1 . 1 1 115 115 ARG H H 115 7.630 7.630 7.856 -0.226 17717 552 1 . 1 1 116 116 GLN N N 116 116.670 116.670 117.216 -0.546 17717 553 1 . 1 1 116 116 GLN HA H 116 4.480 4.480 4.052 0.428 17717 554 1 . 1 1 116 116 GLN CA C 116 57.100 57.100 58.150 -1.050 17717 555 1 . 1 1 116 116 GLN CB C 116 28.060 28.060 28.296 -0.236 17717 556 1 . 1 1 116 116 GLN H H 116 7.980 7.980 7.326 0.654 17717 557 1 . 1 1 117 117 LYS N N 117 119.200 119.200 119.971 -0.771 17717 558 1 . 1 1 117 117 LYS HA H 117 4.211 4.211 3.852 0.359 17717 559 1 . 1 1 117 117 LYS CA C 117 56.700 56.700 58.391 -1.691 17717 560 1 . 1 1 117 117 LYS CB C 117 32.100 32.100 31.524 0.576 17717 561 1 . 1 1 117 117 LYS H H 117 7.780 7.780 7.448 0.332 17717 562 1 . 1 1 118 118 ALA N N 118 122.740 122.740 120.061 2.679 17717 563 1 . 1 1 118 118 ALA HA H 118 4.179 4.179 3.878 0.302 17717 564 1 . 1 1 118 118 ALA CA C 118 52.100 52.100 53.346 -1.246 17717 565 1 . 1 1 118 118 ALA CB C 118 18.100 18.100 18.692 -0.592 17717 566 1 . 1 1 118 118 ALA H H 118 8.100 8.100 7.916 0.184 17717 567 1 . 1 1 119 119 SER N N 119 115.840 115.840 114.370 1.470 17717 568 1 . 1 1 119 119 SER HA H 119 4.210 4.210 4.831 -0.621 17717 569 1 . 1 1 119 119 SER CA C 119 55.900 55.900 54.265 1.635 17717 570 1 . 1 1 119 119 SER CB C 119 62.900 62.900 63.680 -0.780 17717 571 1 . 1 1 119 119 SER H H 119 7.800 7.800 7.423 0.377 17717 572 1 . 1 1 120 120 PRO CA C 120 63.074 63.074 63.019 0.055 17717 573 1 . 1 1 120 120 PRO CB C 120 31.408 31.408 32.113 -0.705 17717 574 1 . 1 1 121 121 GLN N N 121 120.800 120.800 126.909 -6.109 17717 575 1 . 1 1 121 121 GLN HA H 121 4.350 4.350 4.039 0.311 17717 576 1 . 1 1 121 121 GLN CA C 121 55.800 55.800 58.906 -3.107 17717 577 1 . 1 1 121 121 GLN CB C 121 28.300 28.300 27.685 0.615 17717 578 1 . 1 1 121 121 GLN H H 121 8.450 8.450 8.592 -0.142 17717 579 1 . 1 1 122 122 GLY N N 122 109.991 109.991 107.309 2.682 17717 580 1 . 1 1 122 122 GLY CA C 122 44.500 44.500 46.450 -1.950 17717 581 1 . 1 1 122 122 GLY H H 122 8.380 8.380 8.841 -0.461 17717 582 1 . 1 1 123 123 ALA N N 123 124.866 124.866 125.223 -0.357 17717 583 1 . 1 1 123 123 ALA HA H 123 4.280 4.280 4.273 0.007 17717 584 1 . 1 1 123 123 ALA CA C 123 52.440 52.440 54.994 -2.554 17717 585 1 . 1 1 123 123 ALA CB C 123 18.530 18.530 18.673 -0.143 17717 586 1 . 1 1 123 123 ALA H H 123 8.200 8.200 8.034 0.166 17717 587 1 . 1 1 124 124 GLU N N 124 120.000 120.000 118.033 1.967 17717 588 1 . 1 1 124 124 GLU HA H 124 4.265 4.265 4.163 0.102 17717 589 1 . 1 1 124 124 GLU CA C 124 56.533 56.533 58.272 -1.739 17717 590 1 . 1 1 124 124 GLU CB C 124 29.150 29.150 29.349 -0.199 17717 591 1 . 1 1 124 124 GLU H H 124 8.510 8.510 7.768 0.742 17717 592 1 . 1 1 125 125 LEU N N 125 122.740 122.740 123.213 -0.473 17717 593 1 . 1 1 125 125 LEU HA H 125 4.222 4.222 4.049 0.173 17717 594 1 . 1 1 125 125 LEU CA C 125 55.600 55.600 58.234 -2.635 17717 595 1 . 1 1 125 125 LEU CB C 125 41.500 41.500 41.695 -0.195 17717 596 1 . 1 1 125 125 LEU H H 125 8.110 8.110 8.577 -0.467 17717 597 1 . 1 1 126 126 GLN N N 126 120.616 120.616 116.424 4.192 17717 598 1 . 1 1 126 126 GLN HA H 126 4.140 4.140 4.040 0.100 17717 599 1 . 1 1 126 126 GLN CA C 126 56.600 56.600 58.465 -1.865 17717 600 1 . 1 1 126 126 GLN CB C 126 28.200 28.200 28.291 -0.091 17717 601 1 . 1 1 126 126 GLN H H 126 8.190 8.190 8.179 0.011 17717 602 1 . 1 1 127 127 GLU N N 127 121.221 121.221 120.513 0.708 17717 603 1 . 1 1 127 127 GLU HA H 127 4.480 4.480 4.082 0.398 17717 604 1 . 1 1 127 127 GLU CA C 127 57.800 57.800 59.264 -1.464 17717 605 1 . 1 1 127 127 GLU CB C 127 28.000 28.000 29.593 -1.593 17717 606 1 . 1 1 127 127 GLU H H 127 8.130 8.130 7.757 0.373 17717 607 1 . 1 1 128 128 SER N N 128 117.960 117.960 115.562 2.398 17717 608 1 . 1 1 128 128 SER HA H 128 4.140 4.140 4.363 -0.223 17717 609 1 . 1 1 128 128 SER CA C 128 57.800 57.800 61.255 -3.455 17717 610 1 . 1 1 128 128 SER CB C 128 63.860 63.860 63.280 0.580 17717 611 1 . 1 1 128 128 SER H H 128 8.580 8.580 8.467 0.113 17717 612 1 . 1 1 129 129 ALA N N 129 132.300 132.300 123.459 8.841 17717 613 1 . 1 1 129 129 ALA CA C 129 53.505 53.505 53.731 -0.226 17717 614 1 . 1 1 129 129 ALA CB C 129 18.600 18.600 18.876 -0.276 17717 615 1 . 1 1 129 129 ALA H H 129 7.980 7.980 7.891 0.089 17717 616 1 . 1 1 130 130 ARG N N 130 119.553 119.553 116.640 2.913 17717 617 1 . 1 1 130 130 ARG HA H 130 4.274 4.274 4.518 -0.244 17717 618 1 . 1 1 130 130 ARG CA C 130 55.300 55.300 55.992 -0.692 17717 619 1 . 1 1 130 130 ARG CB C 130 31.600 31.600 31.244 0.356 17717 620 1 . 1 1 130 130 ARG H H 130 8.150 8.150 7.558 0.592 17717 621 1 . 1 1 131 131 GLN N N 131 117.960 117.960 118.757 -0.797 17717 622 1 . 1 1 131 131 GLN HA H 131 4.350 4.350 4.336 0.014 17717 623 1 . 1 1 131 131 GLN CA C 131 56.066 56.066 56.477 -0.411 17717 624 1 . 1 1 131 131 GLN CB C 131 29.000 29.000 29.424 -0.424 17717 625 1 . 1 1 131 131 GLN H H 131 7.880 7.880 7.832 0.048 17717 626 1 . 1 1 132 132 LYS N N 132 121.357 121.357 119.567 1.790 17717 627 1 . 1 1 132 132 LYS HA H 132 4.136 4.136 4.170 -0.034 17717 628 1 . 1 1 132 132 LYS CA C 132 56.800 56.800 57.569 -0.769 17717 629 1 . 1 1 132 132 LYS CB C 132 31.100 31.100 31.891 -0.791 17717 630 1 . 1 1 132 132 LYS H H 132 7.892 7.892 8.479 -0.587 17717 631 1 . 1 1 133 133 LEU N N 133 120.620 120.620 117.029 3.591 17717 632 1 . 1 1 133 133 LEU HA H 133 4.480 4.480 4.518 -0.038 17717 633 1 . 1 1 133 133 LEU CA C 133 53.900 53.900 54.603 -0.703 17717 634 1 . 1 1 133 133 LEU CB C 133 41.230 41.230 43.142 -1.912 17717 635 1 . 1 1 133 133 LEU H H 133 8.320 8.320 7.689 0.631 17717 636 1 . 1 1 134 134 GLN N N 134 121.147 121.147 119.416 1.731 17717 637 1 . 1 1 134 134 GLN HA H 134 4.222 4.222 4.345 -0.123 17717 638 1 . 1 1 134 134 GLN CA C 134 56.146 56.146 56.053 0.093 17717 639 1 . 1 1 134 134 GLN CB C 134 31.813 31.813 29.200 2.613 17717 640 1 . 1 1 134 134 GLN H H 134 7.870 7.870 8.220 -0.350 17717 641 1 . 1 1 135 135 GLU N N 135 121.678 121.678 120.098 1.580 17717 642 1 . 1 1 135 135 GLU HA H 135 4.136 4.136 4.281 -0.145 17717 643 1 . 1 1 135 135 GLU CA C 135 55.904 55.904 56.440 -0.536 17717 644 1 . 1 1 135 135 GLU CB C 135 28.953 28.953 29.683 -0.730 17717 645 1 . 1 1 135 135 GLU H H 135 7.892 7.892 8.340 -0.448 17717 646 1 . 1 1 136 136 LEU N N 136 121.357 121.357 121.146 0.211 17717 647 1 . 1 1 136 136 LEU HA H 136 4.351 4.351 4.316 0.035 17717 648 1 . 1 1 136 136 LEU CA C 136 54.765 54.765 55.448 -0.683 17717 649 1 . 1 1 136 136 LEU CB C 136 41.823 41.823 42.552 -0.729 17717 650 1 . 1 1 136 136 LEU H H 136 7.962 7.962 8.088 -0.126 17717 651 1 . 1 1 137 137 GLN N N 137 124.866 124.866 119.799 5.067 17717 652 1 . 1 1 137 137 GLN HA H 137 4.222 4.222 4.429 -0.207 17717 653 1 . 1 1 137 137 GLN CA C 137 56.300 56.300 55.680 0.620 17717 654 1 . 1 1 137 137 GLN CB C 137 28.000 28.000 30.085 -2.085 17717 655 1 . 1 1 137 137 GLN H H 137 7.938 7.938 8.245 -0.307 17717 656 1 . 1 1 138 138 GLY N N 138 111.054 111.054 109.859 1.195 17717 657 1 . 1 1 138 138 GLY CA C 138 44.800 44.800 45.529 -0.729 17717 658 1 . 1 1 138 138 GLY H H 138 8.410 8.410 8.504 -0.094 17717 659 1 . 1 1 139 139 ARG N N 139 116.366 116.366 121.168 -4.802 17717 660 1 . 1 1 139 139 ARG HA H 139 4.230 4.230 4.440 -0.210 17717 661 1 . 1 1 139 139 ARG CA C 139 56.300 56.300 56.045 0.255 17717 662 1 . 1 1 139 139 ARG CB C 139 28.700 28.700 30.859 -2.159 17717 663 1 . 1 1 139 139 ARG H H 139 8.080 8.080 8.212 -0.132 17717 664 1 . 1 1 140 140 LEU N N 140 126.460 126.460 119.313 7.147 17717 665 1 . 1 1 140 140 LEU HA H 140 4.220 4.220 4.016 0.204 17717 666 1 . 1 1 140 140 LEU CA C 140 56.500 56.500 55.834 0.665 17717 667 1 . 1 1 140 140 LEU CB C 140 41.496 41.496 40.956 0.540 17717 668 1 . 1 1 140 140 LEU H H 140 7.740 7.740 8.190 -0.451 17717 669 1 . 1 1 141 141 SER N N 141 119.190 119.190 115.086 4.104 17717 670 1 . 1 1 141 141 SER HA H 141 4.390 4.390 4.392 -0.002 17717 671 1 . 1 1 141 141 SER CA C 141 56.384 56.384 58.343 -1.959 17717 672 1 . 1 1 141 141 SER CB C 141 62.996 62.996 63.345 -0.349 17717 673 1 . 1 1 141 141 SER H H 141 8.430 8.430 7.983 0.447 17717 674 1 . 1 1 142 142 PRO CA C 142 64.840 64.840 64.773 0.067 17717 675 1 . 1 1 142 142 PRO CB C 142 31.345 31.345 31.618 -0.273 17717 676 1 . 1 1 143 143 VAL N N 143 116.900 116.900 116.602 0.298 17717 677 1 . 1 1 143 143 VAL HA H 143 4.100 4.100 4.065 0.035 17717 678 1 . 1 1 143 143 VAL CA C 143 63.800 63.800 63.711 0.089 17717 679 1 . 1 1 143 143 VAL CB C 143 31.400 31.400 30.330 1.070 17717 680 1 . 1 1 143 143 VAL H H 143 7.780 7.780 7.754 0.026 17717 681 1 . 1 1 144 144 ALA N N 144 125.700 125.700 122.076 3.624 17717 682 1 . 1 1 144 144 ALA HA H 144 4.390 4.390 4.056 0.334 17717 683 1 . 1 1 144 144 ALA CA C 144 54.200 54.200 55.127 -0.927 17717 684 1 . 1 1 144 144 ALA CB C 144 18.361 18.361 18.261 0.100 17717 685 1 . 1 1 144 144 ALA H H 144 7.970 7.970 7.653 0.317 17717 686 1 . 1 1 145 145 GLU N N 145 120.000 120.000 118.629 1.371 17717 687 1 . 1 1 145 145 GLU HA H 145 3.920 3.920 3.979 -0.059 17717 688 1 . 1 1 145 145 GLU CA C 145 59.400 59.400 59.583 -0.183 17717 689 1 . 1 1 145 145 GLU CB C 145 28.400 28.400 28.925 -0.525 17717 690 1 . 1 1 145 145 GLU H H 145 8.600 8.600 7.902 0.698 17717 691 1 . 1 1 146 146 GLU N N 146 119.022 119.022 119.149 -0.127 17717 692 1 . 1 1 146 146 GLU HA H 146 4.050 4.050 4.102 -0.052 17717 693 1 . 1 1 146 146 GLU CA C 146 58.422 58.422 58.692 -0.270 17717 694 1 . 1 1 146 146 GLU CB C 146 28.172 28.172 28.808 -0.636 17717 695 1 . 1 1 146 146 GLU H H 146 8.070 8.070 8.050 0.020 17717 696 1 . 1 1 147 147 PHE N N 147 117.023 117.023 120.517 -3.494 17717 697 1 . 1 1 147 147 PHE HA H 147 4.523 4.523 4.231 0.292 17717 698 1 . 1 1 147 147 PHE CA C 147 58.592 58.592 61.023 -2.431 17717 699 1 . 1 1 147 147 PHE CB C 147 40.344 40.344 38.971 1.373 17717 700 1 . 1 1 147 147 PHE H H 147 8.161 8.161 8.124 0.037 17717 701 1 . 1 1 148 148 ARG N N 148 120.085 120.085 119.665 0.420 17717 702 1 . 1 1 148 148 ARG HA H 148 4.136 4.136 3.936 0.200 17717 703 1 . 1 1 148 148 ARG CA C 148 57.700 57.700 59.564 -1.864 17717 704 1 . 1 1 148 148 ARG CB C 148 30.400 30.400 29.997 0.403 17717 705 1 . 1 1 148 148 ARG H H 148 8.325 8.325 8.360 -0.035 17717 706 1 . 1 1 149 149 ASP N N 149 118.530 118.530 118.920 -0.390 17717 707 1 . 1 1 149 149 ASP HA H 149 4.310 4.310 4.442 -0.132 17717 708 1 . 1 1 149 149 ASP CA C 149 54.600 54.600 57.237 -2.637 17717 709 1 . 1 1 149 149 ASP CB C 149 41.000 41.000 40.901 0.099 17717 710 1 . 1 1 149 149 ASP H H 149 8.270 8.270 8.265 0.005 17717 711 1 . 1 1 150 150 ARG N N 150 126.460 126.460 119.571 6.889 17717 712 1 . 1 1 150 150 ARG HA H 150 4.180 4.180 4.120 0.060 17717 713 1 . 1 1 150 150 ARG CA C 150 56.850 56.850 58.278 -1.428 17717 714 1 . 1 1 150 150 ARG CB C 150 30.451 30.451 29.850 0.601 17717 715 1 . 1 1 150 150 ARG H H 150 7.860 7.860 8.108 -0.248 17717 716 1 . 1 1 152 152 ARG CA C 152 55.764 55.764 59.719 -3.955 17717 717 1 . 1 1 152 152 ARG CB C 152 30.014 30.014 30.215 -0.201 17717 718 1 . 1 1 153 153 THR N N 153 115.832 115.832 113.951 1.881 17717 719 1 . 1 1 153 153 THR HA H 153 4.350 4.350 4.021 0.329 17717 720 1 . 1 1 153 153 THR CA C 153 61.200 61.200 66.537 -5.337 17717 721 1 . 1 1 153 153 THR CB C 153 69.400 69.400 68.422 0.978 17717 722 1 . 1 1 153 153 THR H H 153 8.170 8.170 8.126 0.044 17717 723 1 . 1 1 154 154 HIS N N 154 129.120 129.120 122.711 6.409 17717 724 1 . 1 1 154 154 HIS HA H 154 4.650 4.650 4.280 0.370 17717 725 1 . 1 1 154 154 HIS CA C 154 56.800 56.800 58.922 -2.122 17717 726 1 . 1 1 154 154 HIS CB C 154 30.400 30.400 29.433 0.967 17717 727 1 . 1 1 154 154 HIS H H 154 7.950 7.950 8.009 -0.059 17717 728 1 . 1 1 155 155 VAL N N 155 120.620 120.620 117.978 2.642 17717 729 1 . 1 1 155 155 VAL HA H 155 4.012 4.012 3.409 0.603 17717 730 1 . 1 1 155 155 VAL CA C 155 62.300 62.300 65.865 -3.565 17717 731 1 . 1 1 155 155 VAL CB C 155 31.600 31.600 30.608 0.992 17717 732 1 . 1 1 155 155 VAL H H 155 7.910 7.910 7.353 0.557 17717 733 1 . 1 1 156 156 ASP N N 156 121.147 121.147 120.889 0.258 17717 734 1 . 1 1 156 156 ASP HA H 156 4.440 4.440 4.304 0.136 17717 735 1 . 1 1 156 156 ASP CA C 156 57.384 57.384 57.627 -0.243 17717 736 1 . 1 1 156 156 ASP CB C 156 40.140 40.140 40.842 -0.702 17717 737 1 . 1 1 156 156 ASP H H 156 8.100 8.100 8.399 -0.299 17717 738 1 . 1 1 157 157 SER N N 157 116.366 116.366 116.437 -0.071 17717 739 1 . 1 1 157 157 SER HA H 157 4.220 4.220 4.144 0.076 17717 740 1 . 1 1 157 157 SER CA C 157 61.500 61.500 61.776 -0.276 17717 741 1 . 1 1 157 157 SER CB C 157 62.500 62.500 63.226 -0.726 17717 742 1 . 1 1 157 157 SER H H 157 8.700 8.700 7.927 0.773 17717 743 1 . 1 1 158 158 LEU N N 158 123.272 123.272 122.886 0.386 17717 744 1 . 1 1 158 158 LEU HA H 158 4.520 4.520 4.204 0.316 17717 745 1 . 1 1 158 158 LEU CA C 158 57.140 57.140 58.285 -1.145 17717 746 1 . 1 1 158 158 LEU CB C 158 40.900 40.900 41.904 -1.004 17717 747 1 . 1 1 158 158 LEU H H 158 7.790 7.790 7.911 -0.121 17717 748 1 . 1 1 159 159 ARG N N 159 119.553 119.553 116.490 3.063 17717 749 1 . 1 1 159 159 ARG HA H 159 4.530 4.530 4.118 0.412 17717 750 1 . 1 1 159 159 ARG CA C 159 56.800 56.800 59.077 -2.277 17717 751 1 . 1 1 159 159 ARG CB C 159 29.000 29.000 30.171 -1.171 17717 752 1 . 1 1 159 159 ARG H H 159 8.650 8.650 8.079 0.571 17717 753 1 . 1 1 160 160 THR N N 160 115.304 115.304 115.517 -0.213 17717 754 1 . 1 1 160 160 THR HA H 160 3.880 3.880 4.088 -0.208 17717 755 1 . 1 1 160 160 THR CA C 160 65.300 65.300 66.103 -0.803 17717 756 1 . 1 1 160 160 THR CB C 160 68.900 68.900 68.479 0.421 17717 757 1 . 1 1 160 160 THR H H 160 8.100 8.100 7.641 0.459 17717 758 1 . 1 1 161 161 GLN N N 161 122.440 122.440 118.273 4.167 17717 759 1 . 1 1 161 161 GLN HA H 161 4.220 4.220 4.381 -0.161 17717 760 1 . 1 1 161 161 GLN CA C 161 56.900 56.900 58.063 -1.163 17717 761 1 . 1 1 161 161 GLN CB C 161 26.160 26.160 29.024 -2.864 17717 762 1 . 1 1 161 161 GLN H H 161 8.070 8.070 7.973 0.097 17717 763 1 . 1 1 162 162 LEU N N 162 115.398 115.398 121.028 -5.630 17717 764 1 . 1 1 162 162 LEU HA H 162 4.220 4.220 4.488 -0.268 17717 765 1 . 1 1 162 162 LEU CA C 162 56.500 56.500 55.934 0.566 17717 766 1 . 1 1 162 162 LEU CB C 162 41.000 41.000 40.776 0.224 17717 767 1 . 1 1 162 162 LEU H H 162 7.980 7.980 7.800 0.180 17717 768 1 . 1 1 163 163 ALA N N 163 122.210 122.210 123.245 -1.035 17717 769 1 . 1 1 163 163 ALA HA H 163 4.260 4.260 4.099 0.162 17717 770 1 . 1 1 163 163 ALA CA C 163 56.560 56.560 57.059 -0.499 17717 771 1 . 1 1 163 163 ALA CB C 163 15.000 15.000 16.130 -1.130 17717 772 1 . 1 1 163 163 ALA H H 163 7.460 7.460 8.294 -0.834 17717 773 1 . 1 1 164 164 PRO CA C 164 62.800 62.800 65.633 -2.833 17717 774 1 . 1 1 164 164 PRO CB C 164 31.500 31.500 31.292 0.208 17717 775 1 . 1 1 165 165 HIS N N 165 120.080 120.080 117.198 2.882 17717 776 1 . 1 1 165 165 HIS HA H 165 4.390 4.390 4.234 0.156 17717 777 1 . 1 1 165 165 HIS CA C 165 56.000 56.000 60.045 -4.045 17717 778 1 . 1 1 165 165 HIS CB C 165 28.400 28.400 29.584 -1.184 17717 779 1 . 1 1 165 165 HIS H H 165 8.060 8.060 7.861 0.199 17717 780 1 . 1 1 166 166 SER N N 166 116.366 116.366 114.937 1.429 17717 781 1 . 1 1 166 166 SER HA H 166 4.300 4.300 4.074 0.226 17717 782 1 . 1 1 166 166 SER CA C 166 61.200 61.200 61.809 -0.609 17717 783 1 . 1 1 166 166 SER CB C 166 63.000 63.000 63.053 -0.053 17717 784 1 . 1 1 166 166 SER H H 166 8.040 8.040 8.351 -0.311 17717 785 1 . 1 1 167 167 GLU N N 167 121.678 121.678 121.360 0.318 17717 786 1 . 1 1 167 167 GLU HA H 167 3.922 3.922 4.049 -0.127 17717 787 1 . 1 1 167 167 GLU CA C 167 62.800 62.800 59.363 3.437 17717 788 1 . 1 1 167 167 GLU CB C 167 31.100 31.100 29.536 1.564 17717 789 1 . 1 1 167 167 GLU H H 167 7.760 7.760 7.756 0.004 17717 790 1 . 1 1 168 168 GLN N N 168 121.147 121.147 119.334 1.813 17717 791 1 . 1 1 168 168 GLN HA H 168 4.320 4.320 4.125 0.195 17717 792 1 . 1 1 168 168 GLN CA C 168 55.300 55.300 58.770 -3.470 17717 793 1 . 1 1 168 168 GLN CB C 168 28.200 28.200 28.825 -0.625 17717 794 1 . 1 1 168 168 GLN H H 168 8.450 8.450 8.430 0.020 17717 795 1 . 1 1 170 170 ARG CA C 170 58.370 58.370 59.348 -0.978 17717 796 1 . 1 1 170 170 ARG CB C 170 28.900 28.900 30.108 -1.208 17717 797 1 . 1 1 171 171 GLU N N 171 117.960 117.960 119.574 -1.614 17717 798 1 . 1 1 171 171 GLU HA H 171 4.140 4.140 4.213 -0.073 17717 799 1 . 1 1 171 171 GLU CA C 171 57.300 57.300 59.234 -1.934 17717 800 1 . 1 1 171 171 GLU CB C 171 29.200 29.200 29.641 -0.441 17717 801 1 . 1 1 171 171 GLU H H 171 7.730 7.730 7.814 -0.084 17717 802 1 . 1 1 172 172 SER N N 172 116.366 116.366 116.959 -0.593 17717 803 1 . 1 1 172 172 SER HA H 172 4.270 4.270 4.169 0.101 17717 804 1 . 1 1 172 172 SER CA C 172 58.000 58.000 62.231 -4.231 17717 805 1 . 1 1 172 172 SER CB C 172 63.000 63.000 62.944 0.056 17717 806 1 . 1 1 172 172 SER H H 172 8.320 8.320 8.652 -0.332 17717 807 1 . 1 1 173 173 LEU N N 173 124.866 124.866 121.612 3.254 17717 808 1 . 1 1 173 173 LEU HA H 173 4.352 4.352 4.077 0.274 17717 809 1 . 1 1 173 173 LEU CA C 173 54.540 54.540 57.607 -3.067 17717 810 1 . 1 1 173 173 LEU CB C 173 41.400 41.400 41.444 -0.044 17717 811 1 . 1 1 173 173 LEU H H 173 8.260 8.260 7.766 0.494 17717 812 1 . 1 1 174 174 ALA N N 174 126.460 126.460 121.242 5.218 17717 813 1 . 1 1 174 174 ALA HA H 174 4.270 4.270 3.795 0.475 17717 814 1 . 1 1 174 174 ALA CA C 174 55.400 55.400 54.802 0.598 17717 815 1 . 1 1 174 174 ALA CB C 174 17.200 17.200 18.016 -0.816 17717 816 1 . 1 1 174 174 ALA H H 174 8.210 8.210 7.446 0.764 17717 817 1 . 1 1 175 175 GLN N N 175 117.430 117.430 118.261 -0.831 17717 818 1 . 1 1 175 175 GLN HA H 175 4.060 4.060 4.003 0.057 17717 819 1 . 1 1 175 175 GLN CA C 175 58.600 58.600 58.208 0.392 17717 820 1 . 1 1 175 175 GLN CB C 175 27.400 27.400 28.621 -1.221 17717 821 1 . 1 1 175 175 GLN H H 175 8.450 8.450 7.937 0.513 17717 822 1 . 1 1 176 176 ARG N N 176 119.550 119.550 121.092 -1.542 17717 823 1 . 1 1 176 176 ARG HA H 176 4.180 4.180 3.912 0.268 17717 824 1 . 1 1 176 176 ARG CA C 176 56.900 56.900 59.684 -2.784 17717 825 1 . 1 1 176 176 ARG CB C 176 29.300 29.300 30.133 -0.833 17717 826 1 . 1 1 176 176 ARG H H 176 8.070 8.070 8.219 -0.149 17717 827 1 . 1 1 177 177 LEU N N 177 115.840 115.840 116.487 -0.647 17717 828 1 . 1 1 177 177 LEU HA H 177 4.180 4.180 3.893 0.287 17717 829 1 . 1 1 177 177 LEU CA C 177 56.900 56.900 57.935 -1.036 17717 830 1 . 1 1 177 177 LEU CB C 177 40.100 40.100 40.852 -0.752 17717 831 1 . 1 1 177 177 LEU H H 177 8.330 8.330 7.489 0.841 17717 832 1 . 1 1 178 178 ALA N N 178 121.220 121.220 121.050 0.170 17717 833 1 . 1 1 178 178 ALA HA H 178 3.880 3.880 3.943 -0.063 17717 834 1 . 1 1 178 178 ALA CA C 178 54.600 54.600 54.704 -0.104 17717 835 1 . 1 1 178 178 ALA CB C 178 16.900 16.900 17.990 -1.091 17717 836 1 . 1 1 178 178 ALA H H 178 8.570 8.570 7.563 1.007 17717 837 1 . 1 1 179 179 GLU N N 179 118.490 118.490 120.141 -1.651 17717 838 1 . 1 1 179 179 GLU HA H 179 4.180 4.180 4.043 0.137 17717 839 1 . 1 1 179 179 GLU CA C 179 56.600 56.600 59.190 -2.590 17717 840 1 . 1 1 179 179 GLU CB C 179 29.000 29.000 29.618 -0.618 17717 841 1 . 1 1 179 179 GLU H H 179 7.680 7.680 7.928 -0.248 17717 842 1 . 1 1 180 180 LEU N N 180 117.730 117.730 117.816 -0.086 17717 843 1 . 1 1 180 180 LEU HA H 180 4.265 4.265 4.024 0.241 17717 844 1 . 1 1 180 180 LEU CA C 180 55.020 55.020 57.253 -2.233 17717 845 1 . 1 1 180 180 LEU CB C 180 41.100 41.100 41.566 -0.466 17717 846 1 . 1 1 180 180 LEU H H 180 7.680 7.680 7.442 0.238 17717 847 1 . 1 1 181 181 LYS N N 181 117.400 117.400 118.615 -1.215 17717 848 1 . 1 1 181 181 LYS HA H 181 4.480 4.480 3.934 0.546 17717 849 1 . 1 1 181 181 LYS CA C 181 61.900 61.900 58.459 3.441 17717 850 1 . 1 1 181 181 LYS CB C 181 31.800 31.800 32.621 -0.821 17717 851 1 . 1 1 181 181 LYS H H 181 7.510 7.510 7.756 -0.246 17717 852 1 . 1 1 182 182 SER N N 182 114.010 114.010 113.225 0.785 17717 853 1 . 1 1 182 182 SER HA H 182 4.350 4.350 4.288 0.062 17717 854 1 . 1 1 182 182 SER CA C 182 58.000 58.000 59.607 -1.607 17717 855 1 . 1 1 182 182 SER CB C 182 63.300 63.300 64.091 -0.791 17717 856 1 . 1 1 182 182 SER H H 182 7.920 7.920 7.917 0.003 17717 857 1 . 1 1 183 183 ASN N N 183 123.040 123.040 118.048 4.992 17717 858 1 . 1 1 183 183 ASN HA H 183 4.310 4.310 4.696 -0.386 17717 859 1 . 1 1 183 183 ASN CA C 183 55.115 55.115 52.774 2.341 17717 860 1 . 1 1 183 183 ASN CB C 183 37.838 37.838 38.456 -0.618 17717 861 1 . 1 1 183 183 ASN H H 183 8.250 8.250 7.771 0.479 17717 862 1 . 1 1 184 184 PRO CA C 184 63.180 63.180 64.069 -0.889 17717 863 1 . 1 1 184 184 PRO CB C 184 31.400 31.400 32.008 -0.608 17717 864 1 . 1 1 185 185 THR N N 185 114.240 114.240 113.355 0.885 17717 865 1 . 1 1 185 185 THR HA H 185 4.270 4.270 4.357 -0.087 17717 866 1 . 1 1 185 185 THR CA C 185 61.200 61.200 62.330 -1.130 17717 867 1 . 1 1 185 185 THR CB C 185 69.100 69.100 70.378 -1.278 17717 868 1 . 1 1 185 185 THR H H 185 8.150 8.150 7.873 0.277 17717 869 1 . 1 1 186 186 LEU N N 186 123.270 123.270 118.527 4.743 17717 870 1 . 1 1 186 186 LEU HA H 186 4.350 4.350 4.624 -0.274 17717 871 1 . 1 1 186 186 LEU CA C 186 55.000 55.000 54.795 0.205 17717 872 1 . 1 1 186 186 LEU CB C 186 41.000 41.000 43.798 -2.798 17717 873 1 . 1 1 186 186 LEU H H 186 8.430 8.430 8.043 0.387 17717 874 1 . 1 1 187 187 ASN N N 187 119.020 119.020 120.410 -1.390 17717 875 1 . 1 1 187 187 ASN HA H 187 4.530 4.530 4.850 -0.320 17717 876 1 . 1 1 187 187 ASN CA C 187 53.400 53.400 52.826 0.575 17717 877 1 . 1 1 187 187 ASN CB C 187 37.900 37.900 39.582 -1.682 17717 878 1 . 1 1 187 187 ASN H H 187 8.370 8.370 8.485 -0.115 17717 879 1 . 1 1 188 188 GLU N N 188 123.270 123.270 121.916 1.354 17717 880 1 . 1 1 188 188 GLU HA H 188 4.000 4.000 4.255 -0.254 17717 881 1 . 1 1 188 188 GLU CA C 188 61.700 61.700 57.460 4.240 17717 882 1 . 1 1 188 188 GLU CB C 188 32.100 32.100 29.852 2.249 17717 883 1 . 1 1 188 188 GLU H H 188 7.870 7.870 8.668 -0.798 17717 884 1 . 1 1 189 189 TYR N N 189 122.210 122.210 120.284 1.926 17717 885 1 . 1 1 189 189 TYR HA H 189 4.440 4.440 4.582 -0.142 17717 886 1 . 1 1 189 189 TYR CA C 189 57.120 57.120 57.657 -0.537 17717 887 1 . 1 1 189 189 TYR CB C 189 40.000 40.000 39.170 0.830 17717 888 1 . 1 1 189 189 TYR H H 189 8.590 8.590 8.106 0.484 17717 889 1 . 1 1 190 190 HIS N N 190 124.866 124.866 122.196 2.670 17717 890 1 . 1 1 190 190 HIS HA H 190 4.780 4.780 4.427 0.353 17717 891 1 . 1 1 190 190 HIS CA C 190 56.000 56.000 56.198 -0.198 17717 892 1 . 1 1 190 190 HIS CB C 190 29.400 29.400 28.818 0.582 17717 893 1 . 1 1 190 190 HIS H H 190 8.420 8.420 8.585 -0.165 17717 894 1 . 1 1 191 191 SER N N 191 117.429 117.429 115.475 1.954 17717 895 1 . 1 1 191 191 SER HA H 191 4.140 4.140 4.354 -0.214 17717 896 1 . 1 1 191 191 SER CA C 191 58.140 58.140 59.400 -1.260 17717 897 1 . 1 1 191 191 SER CB C 191 63.140 63.140 62.947 0.193 17717 898 1 . 1 1 191 191 SER H H 191 8.270 8.270 8.351 -0.081 17717 899 1 . 1 1 192 192 SER N N 192 124.335 124.335 119.606 4.729 17717 900 1 . 1 1 192 192 SER HA H 192 4.730 4.730 4.437 0.293 17717 901 1 . 1 1 192 192 SER CA C 192 59.020 59.020 59.100 -0.080 17717 902 1 . 1 1 192 192 SER CB C 192 63.000 63.000 63.645 -0.645 17717 903 1 . 1 1 192 192 SER H H 192 8.010 8.010 8.301 -0.291 17717 904 1 . 1 1 193 193 ALA N N 193 125.930 125.930 122.332 3.598 17717 905 1 . 1 1 193 193 ALA HA H 193 4.310 4.310 4.137 0.173 17717 906 1 . 1 1 193 193 ALA CA C 193 52.300 52.300 52.879 -0.579 17717 907 1 . 1 1 193 193 ALA CB C 193 18.000 18.000 18.512 -0.512 17717 908 1 . 1 1 193 193 ALA H H 193 8.100 8.100 8.185 -0.085 17717 909 1 . 1 1 194 194 LYS N N 194 126.460 126.460 119.294 7.166 17717 910 1 . 1 1 194 194 LYS HA H 194 4.220 4.220 4.335 -0.115 17717 911 1 . 1 1 194 194 LYS CA C 194 56.600 56.600 56.390 0.209 17717 912 1 . 1 1 194 194 LYS CB C 194 33.000 33.000 33.686 -0.686 17717 913 1 . 1 1 194 194 LYS H H 194 7.860 7.860 8.070 -0.210 17717 914 1 . 1 1 195 195 SER N N 195 117.429 117.429 116.274 1.155 17717 915 1 . 1 1 195 195 SER HA H 195 4.430 4.430 4.431 -0.001 17717 916 1 . 1 1 195 195 SER CA C 195 58.499 58.499 58.360 0.139 17717 917 1 . 1 1 195 195 SER CB C 195 63.129 63.129 62.249 0.880 17717 918 1 . 1 1 195 195 SER H H 195 8.240 8.240 8.670 -0.430 17717 919 1 . 1 1 196 196 HIS N N 196 122.440 122.440 120.558 1.882 17717 920 1 . 1 1 196 196 HIS HA H 196 4.222 4.222 4.302 -0.080 17717 921 1 . 1 1 196 196 HIS CA C 196 55.743 55.743 58.603 -2.860 17717 922 1 . 1 1 196 196 HIS CB C 196 28.566 28.566 29.866 -1.300 17717 923 1 . 1 1 196 196 HIS H H 196 8.044 8.044 8.600 -0.556 17717 924 1 . 1 1 197 197 LEU N N 197 117.429 117.429 119.815 -2.386 17717 925 1 . 1 1 197 197 LEU HA H 197 4.179 4.179 4.019 0.160 17717 926 1 . 1 1 197 197 LEU CA C 197 54.540 54.540 58.298 -3.758 17717 927 1 . 1 1 197 197 LEU CB C 197 40.040 40.040 41.686 -1.646 17717 928 1 . 1 1 197 197 LEU H H 197 8.044 8.044 8.157 -0.113 17717 929 1 . 1 1 198 198 LYS N N 198 117.430 117.430 118.866 -1.436 17717 930 1 . 1 1 198 198 LYS HA H 198 4.140 4.140 4.011 0.129 17717 931 1 . 1 1 198 198 LYS CA C 198 57.600 57.600 59.256 -1.656 17717 932 1 . 1 1 198 198 LYS CB C 198 32.000 32.000 31.793 0.207 17717 933 1 . 1 1 198 198 LYS H H 198 7.510 7.510 7.937 -0.427 17717 934 1 . 1 1 199 199 SER N N 199 114.315 114.315 115.714 -1.399 17717 935 1 . 1 1 199 199 SER HA H 199 4.310 4.310 4.012 0.298 17717 936 1 . 1 1 199 199 SER CA C 199 62.000 62.000 61.218 0.782 17717 937 1 . 1 1 199 199 SER CB C 199 63.600 63.600 62.918 0.682 17717 938 1 . 1 1 199 199 SER H H 199 7.930 7.930 8.009 -0.079 17717 939 1 . 1 1 200 200 LEU N N 200 124.335 124.335 122.222 2.113 17717 940 1 . 1 1 200 200 LEU HA H 200 4.260 4.260 4.235 0.025 17717 941 1 . 1 1 200 200 LEU CA C 200 55.200 55.200 57.419 -2.219 17717 942 1 . 1 1 200 200 LEU CB C 200 41.200 41.200 41.815 -0.615 17717 943 1 . 1 1 200 200 LEU H H 200 8.170 8.170 7.772 0.398 17717 944 1 . 1 1 201 201 GLY N N 201 109.990 109.990 106.263 3.727 17717 945 1 . 1 1 201 201 GLY CA C 201 44.700 44.700 46.905 -2.205 17717 946 1 . 1 1 201 201 GLY H H 201 8.290 8.290 7.884 0.406 17717 947 1 . 1 1 202 202 GLU N N 202 126.460 126.460 119.763 6.697 17717 948 1 . 1 1 202 202 GLU HA H 202 4.220 4.220 4.226 -0.006 17717 949 1 . 1 1 202 202 GLU CA C 202 56.600 56.600 58.191 -1.591 17717 950 1 . 1 1 202 202 GLU CB C 202 32.800 32.800 29.918 2.882 17717 951 1 . 1 1 202 202 GLU H H 202 7.750 7.750 7.791 -0.041 17717 952 1 . 1 1 203 203 LYS CA C 203 55.775 55.775 55.060 0.715 17717 953 1 . 1 1 203 203 LYS CB C 203 32.283 32.283 32.840 -0.557 17717 954 1 . 1 1 204 204 ALA N N 204 125.390 125.390 121.557 3.833 17717 955 1 . 1 1 204 204 ALA HA H 204 4.310 4.310 4.563 -0.253 17717 956 1 . 1 1 204 204 ALA CA C 204 52.000 52.000 50.807 1.193 17717 957 1 . 1 1 204 204 ALA CB C 204 18.400 18.400 20.853 -2.453 17717 958 1 . 1 1 204 204 ALA H H 204 8.180 8.180 7.198 0.982 17717 959 1 . 1 1 205 205 ARG N N 205 121.150 121.150 118.952 2.198 17717 960 1 . 1 1 205 205 ARG HA H 205 4.270 4.270 4.328 -0.058 17717 961 1 . 1 1 205 205 ARG CA C 205 56.384 56.384 55.136 1.248 17717 962 1 . 1 1 205 205 ARG CB C 205 29.193 29.193 29.741 -0.548 17717 963 1 . 1 1 205 205 ARG H H 205 8.350 8.350 8.495 -0.145 17717 964 1 . 1 1 206 206 PRO CA C 206 62.600 62.600 64.224 -1.624 17717 965 1 . 1 1 206 206 PRO CB C 206 31.400 31.400 30.847 0.553 17717 966 1 . 1 1 207 207 ALA N N 207 125.400 125.400 122.412 2.988 17717 967 1 . 1 1 207 207 ALA HA H 207 4.308 4.308 4.316 -0.008 17717 968 1 . 1 1 207 207 ALA CA C 207 51.700 51.700 53.493 -1.793 17717 969 1 . 1 1 207 207 ALA CB C 207 18.200 18.200 19.285 -1.085 17717 970 1 . 1 1 207 207 ALA H H 207 8.400 8.400 8.261 0.139 17717 971 1 . 1 1 208 208 LEU N N 208 121.680 121.680 120.098 1.582 17717 972 1 . 1 1 208 208 LEU HA H 208 4.480 4.480 4.265 0.215 17717 973 1 . 1 1 208 208 LEU CA C 208 55.100 55.100 56.560 -1.460 17717 974 1 . 1 1 208 208 LEU CB C 208 41.200 41.200 42.391 -1.191 17717 975 1 . 1 1 208 208 LEU H H 208 8.180 8.180 7.684 0.496 17717 976 1 . 1 1 209 209 GLU N N 209 121.147 121.147 119.913 1.234 17717 977 1 . 1 1 209 209 GLU HA H 209 4.180 4.180 3.927 0.253 17717 978 1 . 1 1 209 209 GLU CA C 209 56.477 56.477 59.832 -3.355 17717 979 1 . 1 1 209 209 GLU CB C 209 29.250 29.250 28.923 0.327 17717 980 1 . 1 1 209 209 GLU H H 209 8.380 8.380 8.304 0.076 17717 981 1 . 1 1 210 210 ASP N N 210 121.147 121.147 119.320 1.827 17717 982 1 . 1 1 210 210 ASP HA H 210 4.260 4.260 4.561 -0.301 17717 983 1 . 1 1 210 210 ASP CA C 210 55.000 55.000 57.027 -2.027 17717 984 1 . 1 1 210 210 ASP CB C 210 37.200 37.200 40.868 -3.668 17717 985 1 . 1 1 210 210 ASP H H 210 8.280 8.280 7.997 0.283 17717 986 1 . 1 1 211 211 LEU N N 211 122.210 122.210 118.657 3.553 17717 987 1 . 1 1 211 211 LEU HA H 211 4.220 4.220 4.227 -0.007 17717 988 1 . 1 1 211 211 LEU CA C 211 57.400 57.400 56.628 0.772 17717 989 1 . 1 1 211 211 LEU CB C 211 39.430 39.430 41.552 -2.122 17717 990 1 . 1 1 211 211 LEU H H 211 8.640 8.640 7.542 1.098 17717 991 1 . 1 1 212 212 ARG N N 212 119.550 119.550 119.029 0.521 17717 992 1 . 1 1 212 212 ARG HA H 212 4.220 4.220 3.931 0.289 17717 993 1 . 1 1 212 212 ARG CA C 212 57.400 57.400 58.996 -1.596 17717 994 1 . 1 1 212 212 ARG CB C 212 29.600 29.600 30.363 -0.763 17717 995 1 . 1 1 212 212 ARG H H 212 7.910 7.910 8.061 -0.151 17717 996 1 . 1 1 213 213 HIS CA C 213 56.200 56.200 57.830 -1.630 17717 997 1 . 1 1 213 213 HIS CB C 213 31.900 31.900 30.360 1.540 17717 998 1 . 1 1 214 214 SER N N 214 116.366 116.366 116.385 -0.019 17717 999 1 . 1 1 214 214 SER HA H 214 4.265 4.265 4.442 -0.177 17717 1000 1 . 1 1 214 214 SER CA C 214 61.100 61.100 58.137 2.963 17717 1001 1 . 1 1 214 214 SER CB C 214 63.100 63.100 62.524 0.576 17717 1002 1 . 1 1 214 214 SER H H 214 8.140 8.140 7.464 0.676 17717 1003 1 . 1 1 215 215 LEU N N 215 130.565 130.565 125.371 5.194 17717 1004 1 . 1 1 215 215 LEU HA H 215 4.730 4.730 4.580 0.150 17717 1005 1 . 1 1 215 215 LEU CA C 215 54.900 54.900 54.444 0.456 17717 1006 1 . 1 1 215 215 LEU CB C 215 42.000 42.000 44.440 -2.440 17717 1007 1 . 1 1 215 215 LEU H H 215 7.890 7.890 7.917 -0.027 17717 stop_ save_