data_19286 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19286 _Entry.PDB_ID 2M98 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 19286 _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 4 4 MET N N 4 121.520 121.520 124.510 -2.990 19286 2 1 1 . 1 1 4 4 MET H H 4 8.450 8.450 7.980 0.470 19286 3 1 1 . 1 1 5 5 THR N N 5 115.270 115.270 112.047 3.223 19286 4 1 1 . 1 1 5 5 THR H H 5 8.090 8.090 8.049 0.041 19286 5 1 1 . 1 1 6 6 GLU N N 6 123.580 123.580 121.742 1.838 19286 6 1 1 . 1 1 6 6 GLU H H 6 8.430 8.430 8.460 -0.030 19286 7 1 1 . 1 1 7 7 ARG N N 7 120.850 120.850 121.265 -0.415 19286 8 1 1 . 1 1 7 7 ARG H H 7 8.030 8.030 7.886 0.144 19286 9 1 1 . 1 1 8 8 ARG N N 8 125.410 125.410 120.358 5.052 19286 10 1 1 . 1 1 8 8 ARG HA H 8 4.370 4.370 4.306 0.064 19286 11 1 1 . 1 1 8 8 ARG H H 8 8.310 8.310 8.254 0.056 19286 12 1 1 . 1 1 9 9 LEU N N 9 130.330 130.330 121.536 8.794 19286 13 1 1 . 1 1 9 9 LEU HA H 9 4.610 4.610 4.475 0.135 19286 14 1 1 . 1 1 9 9 LEU H H 9 11.100 11.100 7.868 3.232 19286 15 1 1 . 1 1 10 10 ARG N N 10 121.420 121.420 124.150 -2.730 19286 16 1 1 . 1 1 10 10 ARG HA H 10 5.010 5.010 4.472 0.538 19286 17 1 1 . 1 1 10 10 ARG CA C 10 55.940 55.940 53.386 2.554 19286 18 1 1 . 1 1 10 10 ARG H H 10 9.620 9.620 8.181 1.439 19286 19 1 1 . 1 1 11 11 VAL N N 11 125.110 125.110 118.218 6.892 19286 20 1 1 . 1 1 11 11 VAL HA H 11 4.970 4.970 4.831 0.139 19286 21 1 1 . 1 1 11 11 VAL H H 11 9.210 9.210 8.259 0.951 19286 22 1 1 . 1 1 12 12 LEU N N 12 130.050 130.050 128.243 1.807 19286 23 1 1 . 1 1 12 12 LEU HA H 12 4.780 4.780 4.900 -0.120 19286 24 1 1 . 1 1 12 12 LEU H H 12 8.260 8.260 8.983 -0.723 19286 25 1 1 . 1 1 13 13 VAL N N 13 128.060 128.060 125.004 3.056 19286 26 1 1 . 1 1 13 13 VAL HA H 13 4.610 4.610 4.406 0.204 19286 27 1 1 . 1 1 13 13 VAL H H 13 8.330 8.330 7.976 0.354 19286 28 1 1 . 1 1 14 14 VAL N N 14 128.470 128.470 120.933 7.537 19286 29 1 1 . 1 1 14 14 VAL HA H 14 4.700 4.700 4.646 0.054 19286 30 1 1 . 1 1 14 14 VAL H H 14 8.840 8.840 8.939 -0.099 19286 31 1 1 . 1 1 15 15 GLU N N 15 124.840 124.840 119.316 5.524 19286 32 1 1 . 1 1 15 15 GLU HA H 15 4.620 4.620 4.651 -0.030 19286 33 1 1 . 1 1 15 15 GLU H H 15 7.950 7.950 7.923 0.027 19286 34 1 1 . 1 1 16 16 ASP N N 16 125.840 125.840 120.431 5.409 19286 35 1 1 . 1 1 16 16 ASP HA H 16 4.540 4.540 4.261 0.279 19286 36 1 1 . 1 1 16 16 ASP H H 16 9.360 9.360 8.847 0.513 19286 37 1 1 . 1 1 17 17 GLU HA H 17 4.290 4.290 4.248 0.042 19286 38 1 1 . 1 1 17 17 GLU CA C 17 55.540 55.540 56.228 -0.688 19286 39 1 1 . 1 1 18 18 SER N N 18 124.990 124.990 112.903 12.087 19286 40 1 1 . 1 1 18 18 SER HA H 18 4.610 4.610 4.340 0.270 19286 41 1 1 . 1 1 18 18 SER H H 18 8.820 8.820 8.648 0.172 19286 42 1 1 . 1 1 19 19 MET N N 19 119.940 119.940 121.884 -1.944 19286 43 1 1 . 1 1 19 19 MET H H 19 9.030 9.030 8.412 0.618 19286 44 1 1 . 1 1 20 20 ILE N N 20 118.700 118.700 116.320 2.380 19286 45 1 1 . 1 1 20 20 ILE H H 20 7.200 7.200 7.622 -0.422 19286 46 1 1 . 1 1 21 21 ALA N N 21 123.500 123.500 123.958 -0.458 19286 47 1 1 . 1 1 21 21 ALA CB C 21 18.860 18.860 18.246 0.614 19286 48 1 1 . 1 1 21 21 ALA H H 21 8.370 8.370 8.041 0.329 19286 49 1 1 . 1 1 22 22 MET N N 22 115.790 115.790 119.343 -3.553 19286 50 1 1 . 1 1 22 22 MET HA H 22 4.160 4.160 4.232 -0.072 19286 51 1 1 . 1 1 22 22 MET CA C 22 58.440 58.440 58.412 0.028 19286 52 1 1 . 1 1 22 22 MET H H 22 8.090 8.090 8.262 -0.172 19286 53 1 1 . 1 1 23 23 LEU N N 23 120.400 120.400 118.644 1.756 19286 54 1 1 . 1 1 23 23 LEU H H 23 7.490 7.490 7.875 -0.385 19286 55 1 1 . 1 1 24 24 ILE N N 24 120.840 120.840 119.658 1.182 19286 56 1 1 . 1 1 24 24 ILE HA H 24 3.520 3.520 4.199 -0.679 19286 57 1 1 . 1 1 24 24 ILE CA C 24 67.190 67.190 62.621 4.569 19286 58 1 1 . 1 1 24 24 ILE CB C 24 38.440 38.440 39.791 -1.351 19286 59 1 1 . 1 1 24 24 ILE H H 24 8.630 8.630 8.587 0.043 19286 60 1 1 . 1 1 25 25 GLU N N 25 119.380 119.380 119.621 -0.241 19286 61 1 1 . 1 1 25 25 GLU H H 25 8.550 8.550 7.758 0.792 19286 62 1 1 . 1 1 26 26 ASP N N 26 119.700 119.700 116.615 3.085 19286 63 1 1 . 1 1 26 26 ASP H H 26 8.890 8.890 7.814 1.076 19286 64 1 1 . 1 1 27 27 THR N N 27 117.460 117.460 113.454 4.006 19286 65 1 1 . 1 1 27 27 THR HA H 27 4.270 4.270 4.060 0.210 19286 66 1 1 . 1 1 27 27 THR CA C 27 68.890 68.890 65.338 3.552 19286 67 1 1 . 1 1 27 27 THR H H 27 8.100 8.100 7.969 0.131 19286 68 1 1 . 1 1 28 28 LEU N N 28 120.440 120.440 121.899 -1.459 19286 69 1 1 . 1 1 28 28 LEU HA H 28 3.920 3.920 4.278 -0.358 19286 70 1 1 . 1 1 28 28 LEU CA C 28 58.440 58.440 57.346 1.094 19286 71 1 1 . 1 1 28 28 LEU H H 28 8.610 8.610 8.208 0.402 19286 72 1 1 . 1 1 29 29 CYS N N 29 116.920 116.920 117.929 -1.009 19286 73 1 1 . 1 1 29 29 CYS H H 29 8.180 8.180 8.006 0.174 19286 74 1 1 . 1 1 30 30 GLU N N 30 122.820 122.820 120.627 2.193 19286 75 1 1 . 1 1 30 30 GLU HA H 30 4.160 4.160 4.217 -0.057 19286 76 1 1 . 1 1 30 30 GLU CA C 30 59.690 59.690 58.386 1.304 19286 77 1 1 . 1 1 30 30 GLU H H 30 8.060 8.060 7.647 0.413 19286 78 1 1 . 1 1 31 31 LEU N N 31 116.980 116.980 118.364 -1.384 19286 79 1 1 . 1 1 31 31 LEU H H 31 7.660 7.660 8.120 -0.460 19286 80 1 1 . 1 1 32 32 GLY N N 32 105.410 105.410 104.285 1.125 19286 81 1 1 . 1 1 32 32 GLY H H 32 7.600 7.600 7.959 -0.359 19286 82 1 1 . 1 1 33 33 HIS N N 33 119.380 119.380 117.682 1.698 19286 83 1 1 . 1 1 33 33 HIS HA H 33 5.130 5.130 4.322 0.808 19286 84 1 1 . 1 1 33 33 HIS CA C 33 56.350 56.350 57.569 -1.218 19286 85 1 1 . 1 1 33 33 HIS CB C 33 33.470 33.470 30.047 3.422 19286 86 1 1 . 1 1 33 33 HIS H H 33 7.780 7.780 7.666 0.114 19286 87 1 1 . 1 1 34 34 GLU N N 34 117.930 117.930 121.212 -3.282 19286 88 1 1 . 1 1 34 34 GLU H H 34 8.870 8.870 8.292 0.578 19286 89 1 1 . 1 1 35 35 VAL N N 35 125.860 125.860 117.499 8.361 19286 90 1 1 . 1 1 35 35 VAL HA H 35 4.710 4.710 4.246 0.464 19286 91 1 1 . 1 1 35 35 VAL H H 35 8.870 8.870 8.115 0.755 19286 92 1 1 . 1 1 36 36 ALA N N 36 132.950 132.950 130.561 2.389 19286 93 1 1 . 1 1 36 36 ALA HA H 36 4.200 4.200 5.005 -0.805 19286 94 1 1 . 1 1 36 36 ALA CB C 36 23.860 23.860 20.999 2.861 19286 95 1 1 . 1 1 36 36 ALA H H 36 9.110 9.110 8.210 0.900 19286 96 1 1 . 1 1 37 37 ALA N N 37 115.420 115.420 120.796 -5.376 19286 97 1 1 . 1 1 37 37 ALA H H 37 7.480 7.480 8.064 -0.584 19286 98 1 1 . 1 1 38 38 THR N N 38 112.980 112.980 118.072 -5.092 19286 99 1 1 . 1 1 38 38 THR H H 38 8.170 8.170 8.600 -0.430 19286 100 1 1 . 1 1 39 39 ALA CB C 39 22.610 22.610 19.074 3.536 19286 101 1 1 . 1 1 40 40 SER N N 40 113.630 113.630 115.576 -1.946 19286 102 1 1 . 1 1 40 40 SER HA H 40 4.450 4.450 4.399 0.051 19286 103 1 1 . 1 1 40 40 SER CA C 40 57.480 57.480 59.059 -1.579 19286 104 1 1 . 1 1 40 40 SER H H 40 8.980 8.980 8.630 0.350 19286 105 1 1 . 1 1 41 41 ARG N N 41 117.890 117.890 127.808 -9.918 19286 106 1 1 . 1 1 41 41 ARG CB C 41 34.110 34.110 32.487 1.623 19286 107 1 1 . 1 1 41 41 ARG H H 41 7.340 7.340 8.701 -1.361 19286 108 1 1 . 1 1 42 42 MET N N 42 123.460 123.460 125.217 -1.757 19286 109 1 1 . 1 1 42 42 MET HA H 42 4.040 4.040 3.545 0.495 19286 110 1 1 . 1 1 42 42 MET H H 42 9.340 9.340 8.801 0.539 19286 111 1 1 . 1 1 43 43 GLN N N 43 117.010 117.010 119.821 -2.811 19286 112 1 1 . 1 1 43 43 GLN H H 43 8.940 8.940 8.303 0.637 19286 113 1 1 . 1 1 44 44 GLU N N 44 117.430 117.430 119.048 -1.618 19286 114 1 1 . 1 1 44 44 GLU CB C 44 26.690 26.690 29.429 -2.739 19286 115 1 1 . 1 1 44 44 GLU H H 44 7.160 7.160 8.507 -1.347 19286 116 1 1 . 1 1 45 45 ALA N N 45 121.060 121.060 122.096 -1.036 19286 117 1 1 . 1 1 45 45 ALA HA H 45 3.680 3.680 4.035 -0.355 19286 118 1 1 . 1 1 45 45 ALA CA C 45 55.940 55.940 55.034 0.906 19286 119 1 1 . 1 1 45 45 ALA CB C 45 20.940 20.940 18.506 2.434 19286 120 1 1 . 1 1 45 45 ALA H H 45 8.220 8.220 8.697 -0.477 19286 121 1 1 . 1 1 46 46 LEU N N 46 116.750 116.750 117.951 -1.201 19286 122 1 1 . 1 1 46 46 LEU H H 46 8.350 8.350 7.524 0.826 19286 123 1 1 . 1 1 47 47 ASP N N 47 117.760 117.760 119.984 -2.224 19286 124 1 1 . 1 1 47 47 ASP H H 47 7.400 7.400 7.849 -0.449 19286 125 1 1 . 1 1 48 48 ILE N N 48 118.660 118.660 116.572 2.088 19286 126 1 1 . 1 1 48 48 ILE H H 48 8.220 8.220 7.462 0.758 19286 127 1 1 . 1 1 49 49 ALA N N 49 123.150 123.150 123.314 -0.164 19286 128 1 1 . 1 1 49 49 ALA HA H 49 4.040 4.040 3.985 0.055 19286 129 1 1 . 1 1 49 49 ALA CA C 49 55.940 55.940 53.786 2.154 19286 130 1 1 . 1 1 49 49 ALA CB C 49 18.120 18.120 18.980 -0.860 19286 131 1 1 . 1 1 49 49 ALA H H 49 8.610 8.610 7.164 1.446 19286 132 1 1 . 1 1 50 50 ARG N N 50 113.110 113.110 118.339 -5.229 19286 133 1 1 . 1 1 50 50 ARG CB C 50 26.570 26.570 30.091 -3.521 19286 134 1 1 . 1 1 50 50 ARG H H 50 7.440 7.440 8.356 -0.916 19286 135 1 1 . 1 1 51 51 LYS N N 51 114.910 114.910 117.723 -2.813 19286 136 1 1 . 1 1 51 51 LYS H H 51 7.550 7.550 7.600 -0.050 19286 137 1 1 . 1 1 52 52 GLY N N 52 108.150 108.150 106.860 1.290 19286 138 1 1 . 1 1 52 52 GLY H H 52 8.920 8.920 8.240 0.680 19286 139 1 1 . 1 1 53 53 GLN N N 53 120.450 120.450 119.014 1.436 19286 140 1 1 . 1 1 53 53 GLN H H 53 8.320 8.320 7.806 0.514 19286 141 1 1 . 1 1 54 54 PHE N N 54 119.090 119.090 118.484 0.606 19286 142 1 1 . 1 1 54 54 PHE H H 54 7.180 7.180 7.834 -0.654 19286 143 1 1 . 1 1 55 55 ASP N N 55 117.290 117.290 118.457 -1.167 19286 144 1 1 . 1 1 55 55 ASP H H 55 9.330 9.330 8.109 1.221 19286 145 1 1 . 1 1 56 56 ILE N N 56 109.550 109.550 117.442 -7.892 19286 146 1 1 . 1 1 56 56 ILE HA H 56 5.220 5.220 4.505 0.715 19286 147 1 1 . 1 1 56 56 ILE CA C 56 59.690 59.690 60.570 -0.880 19286 148 1 1 . 1 1 56 56 ILE H H 56 7.690 7.690 8.003 -0.313 19286 149 1 1 . 1 1 57 57 ALA N N 57 122.390 122.390 125.691 -3.301 19286 150 1 1 . 1 1 57 57 ALA HA H 57 5.480 5.480 5.577 -0.097 19286 151 1 1 . 1 1 57 57 ALA CA C 57 50.940 50.940 51.431 -0.491 19286 152 1 1 . 1 1 57 57 ALA H H 57 8.000 8.000 8.612 -0.612 19286 153 1 1 . 1 1 59 59 ILE N N 59 122.950 122.950 129.559 -6.609 19286 154 1 1 . 1 1 59 59 ILE HA H 59 4.990 4.990 4.374 0.616 19286 155 1 1 . 1 1 59 59 ILE CA C 59 57.190 57.190 59.910 -2.720 19286 156 1 1 . 1 1 59 59 ILE H H 59 8.930 8.930 7.909 1.021 19286 157 1 1 . 1 1 60 60 ASP N N 60 127.320 127.320 123.046 4.274 19286 158 1 1 . 1 1 60 60 ASP HA H 60 5.100 5.100 4.299 0.801 19286 159 1 1 . 1 1 60 60 ASP CA C 60 55.100 55.100 53.688 1.412 19286 160 1 1 . 1 1 60 60 ASP H H 60 8.360 8.360 7.506 0.854 19286 161 1 1 . 1 1 61 61 VAL N N 61 121.040 121.040 118.803 2.237 19286 162 1 1 . 1 1 61 61 VAL HA H 61 3.700 3.700 3.788 -0.088 19286 163 1 1 . 1 1 61 61 VAL CA C 61 64.630 64.630 63.687 0.943 19286 164 1 1 . 1 1 61 61 VAL CB C 61 31.590 31.590 31.352 0.238 19286 165 1 1 . 1 1 61 61 VAL H H 61 8.540 8.540 8.632 -0.092 19286 166 1 1 . 1 1 63 63 LEU N N 63 121.830 121.830 120.683 1.147 19286 167 1 1 . 1 1 63 63 LEU HA H 63 4.400 4.400 4.579 -0.179 19286 168 1 1 . 1 1 63 63 LEU CA C 63 52.810 52.810 54.278 -1.468 19286 169 1 1 . 1 1 63 63 LEU H H 63 8.960 8.960 7.638 1.322 19286 170 1 1 . 1 1 64 64 ASP N N 64 128.450 128.450 118.956 9.494 19286 171 1 1 . 1 1 64 64 ASP HA H 64 4.290 4.290 4.368 -0.078 19286 172 1 1 . 1 1 64 64 ASP CA C 64 55.940 55.940 55.543 0.397 19286 173 1 1 . 1 1 64 64 ASP CB C 64 40.390 40.390 40.439 -0.049 19286 174 1 1 . 1 1 64 64 ASP H H 64 9.840 9.840 8.750 1.090 19286 175 1 1 . 1 1 65 65 GLY N N 65 133.580 133.580 104.363 29.217 19286 176 1 1 . 1 1 65 65 GLY H H 65 8.400 8.400 7.593 0.807 19286 177 1 1 . 1 1 66 66 GLU N N 66 121.110 121.110 119.766 1.344 19286 178 1 1 . 1 1 66 66 GLU HA H 66 4.920 4.920 4.192 0.728 19286 179 1 1 . 1 1 66 66 GLU CA C 66 53.100 53.100 56.134 -3.034 19286 180 1 1 . 1 1 66 66 GLU H H 66 7.790 7.790 8.324 -0.534 19286 181 1 1 . 1 1 69 69 TYR N N 69 120.020 120.020 118.168 1.852 19286 182 1 1 . 1 1 69 69 TYR HA H 69 4.410 4.410 4.117 0.293 19286 183 1 1 . 1 1 69 69 TYR CA C 69 60.970 60.970 57.904 3.066 19286 184 1 1 . 1 1 69 69 TYR H H 69 6.480 6.480 7.311 -0.831 19286 185 1 1 . 1 1 71 71 VAL N N 71 115.000 115.000 118.514 -3.514 19286 186 1 1 . 1 1 71 71 VAL H H 71 7.640 7.640 7.731 -0.091 19286 187 1 1 . 1 1 72 72 ALA N N 72 122.000 122.000 123.714 -1.714 19286 188 1 1 . 1 1 72 72 ALA CB C 72 20.110 20.110 19.033 1.077 19286 189 1 1 . 1 1 72 72 ALA H H 72 6.890 6.890 7.588 -0.698 19286 190 1 1 . 1 1 73 73 ASP N N 73 116.020 116.020 118.939 -2.919 19286 191 1 1 . 1 1 73 73 ASP H H 73 8.610 8.610 7.559 1.051 19286 192 1 1 . 1 1 74 74 ILE N N 74 120.950 120.950 119.340 1.610 19286 193 1 1 . 1 1 74 74 ILE H H 74 7.060 7.060 7.330 -0.270 19286 194 1 1 . 1 1 75 75 LEU N N 75 119.760 119.760 118.873 0.887 19286 195 1 1 . 1 1 75 75 LEU H H 75 7.460 7.460 7.449 0.011 19286 196 1 1 . 1 1 76 76 ALA N N 76 121.160 121.160 120.720 0.440 19286 197 1 1 . 1 1 76 76 ALA H H 76 8.910 8.910 7.740 1.170 19286 198 1 1 . 1 1 77 77 GLU N N 77 120.340 120.340 118.773 1.567 19286 199 1 1 . 1 1 77 77 GLU H H 77 7.800 7.800 7.974 -0.174 19286 200 1 1 . 1 1 78 78 ARG N N 78 116.210 116.210 115.364 0.846 19286 201 1 1 . 1 1 78 78 ARG H H 78 7.740 7.740 7.384 0.356 19286 202 1 1 . 1 1 79 79 ASN N N 79 116.230 116.230 118.737 -2.507 19286 203 1 1 . 1 1 79 79 ASN H H 79 8.030 8.030 7.795 0.235 19286 204 1 1 . 1 1 80 80 VAL N N 80 121.200 121.200 117.431 3.769 19286 205 1 1 . 1 1 80 80 VAL H H 80 8.200 8.200 7.707 0.493 19286 206 1 1 . 1 1 82 82 PHE N N 82 113.440 113.440 119.046 -5.606 19286 207 1 1 . 1 1 82 82 PHE HA H 82 5.690 5.690 5.016 0.674 19286 208 1 1 . 1 1 82 82 PHE CA C 82 55.480 55.480 56.494 -1.014 19286 209 1 1 . 1 1 82 82 PHE CB C 82 43.610 43.610 40.018 3.592 19286 210 1 1 . 1 1 82 82 PHE H H 82 7.310 7.310 7.715 -0.405 19286 211 1 1 . 1 1 83 83 ILE N N 83 115.230 115.230 117.795 -2.565 19286 212 1 1 . 1 1 83 83 ILE HA H 83 4.260 4.260 3.660 0.600 19286 213 1 1 . 1 1 83 83 ILE CA C 83 59.690 59.690 60.477 -0.787 19286 214 1 1 . 1 1 83 83 ILE H H 83 7.880 7.880 8.288 -0.408 19286 215 1 1 . 1 1 84 84 PHE N N 84 122.680 122.680 122.503 0.177 19286 216 1 1 . 1 1 84 84 PHE HA H 84 6.190 6.190 5.021 1.169 19286 217 1 1 . 1 1 84 84 PHE CA C 84 55.470 55.470 57.205 -1.735 19286 218 1 1 . 1 1 84 84 PHE H H 84 8.360 8.360 8.623 -0.263 19286 219 1 1 . 1 1 85 85 ALA N N 85 123.760 123.760 123.107 0.653 19286 220 1 1 . 1 1 85 85 ALA HA H 85 5.540 5.540 5.143 0.397 19286 221 1 1 . 1 1 85 85 ALA CA C 85 50.940 50.940 52.196 -1.256 19286 222 1 1 . 1 1 85 85 ALA H H 85 8.570 8.570 7.884 0.686 19286 223 1 1 . 1 1 86 86 THR N N 86 114.260 114.260 115.070 -0.810 19286 224 1 1 . 1 1 86 86 THR HA H 86 4.290 4.290 4.638 -0.348 19286 225 1 1 . 1 1 86 86 THR CA C 86 56.720 56.720 59.860 -3.140 19286 226 1 1 . 1 1 86 86 THR CB C 86 69.610 69.610 71.984 -2.373 19286 227 1 1 . 1 1 86 86 THR H H 86 8.640 8.640 8.482 0.158 19286 228 1 1 . 1 1 87 87 GLY N N 87 112.830 112.830 107.238 5.592 19286 229 1 1 . 1 1 87 87 GLY H H 87 8.590 8.590 8.727 -0.137 19286 230 1 1 . 1 1 89 89 GLY N N 89 111.750 111.750 107.938 3.812 19286 231 1 1 . 1 1 89 89 GLY H H 89 8.300 8.300 8.195 0.105 19286 232 1 1 . 1 1 90 90 SER CA C 90 57.970 57.970 58.938 -0.968 19286 233 1 1 . 1 1 90 90 SER H H 90 4.990 4.990 8.332 -3.342 19286 234 1 1 . 1 1 91 91 LYS N N 91 122.950 122.950 121.943 1.007 19286 235 1 1 . 1 1 91 91 LYS H H 91 8.180 8.180 8.121 0.059 19286 236 1 1 . 1 1 92 92 GLY N N 92 109.390 109.390 108.285 1.105 19286 237 1 1 . 1 1 92 92 GLY H H 92 8.320 8.320 8.140 0.180 19286 238 1 1 . 1 1 93 93 LEU N N 93 121.760 121.760 119.699 2.061 19286 239 1 1 . 1 1 93 93 LEU CB C 93 42.970 42.970 42.007 0.963 19286 240 1 1 . 1 1 93 93 LEU H H 93 7.910 7.910 7.709 0.201 19286 241 1 1 . 1 1 94 94 ASP N N 94 122.710 122.710 122.600 0.110 19286 242 1 1 . 1 1 94 94 ASP H H 94 7.650 7.650 8.737 -1.087 19286 243 1 1 . 1 1 95 95 THR N N 95 117.650 117.650 115.878 1.772 19286 244 1 1 . 1 1 95 95 THR H H 95 8.210 8.210 7.716 0.494 19286 245 1 1 . 1 1 96 96 ARG N N 96 122.360 122.360 121.630 0.730 19286 246 1 1 . 1 1 96 96 ARG H H 96 8.700 8.700 8.630 0.070 19286 247 1 1 . 1 1 97 97 TYR N N 97 117.080 117.080 118.628 -1.548 19286 248 1 1 . 1 1 97 97 TYR CB C 97 39.220 39.220 39.353 -0.133 19286 249 1 1 . 1 1 97 97 TYR H H 97 8.000 8.000 7.260 0.740 19286 250 1 1 . 1 1 98 98 SER N N 98 114.730 114.730 109.317 5.413 19286 251 1 1 . 1 1 98 98 SER H H 98 7.580 7.580 8.613 -1.033 19286 252 1 1 . 1 1 99 99 ASN N N 99 117.230 117.230 115.502 1.728 19286 253 1 1 . 1 1 99 99 ASN H H 99 8.600 8.600 8.723 -0.123 19286 254 1 1 . 1 1 100 100 ILE N N 100 124.250 124.250 110.868 13.382 19286 255 1 1 . 1 1 100 100 ILE H H 100 7.520 7.520 7.797 -0.277 19286 256 1 1 . 1 1 102 102 LEU N N 102 121.060 121.060 115.407 5.653 19286 257 1 1 . 1 1 102 102 LEU H H 102 7.870 7.870 7.531 0.339 19286 258 1 1 . 1 1 103 103 LEU N N 103 126.970 126.970 118.799 8.171 19286 259 1 1 . 1 1 103 103 LEU HA H 103 4.620 4.620 4.575 0.045 19286 260 1 1 . 1 1 103 103 LEU CA C 103 54.690 54.690 55.145 -0.455 19286 261 1 1 . 1 1 103 103 LEU H H 103 9.080 9.080 8.013 1.067 19286 262 1 1 . 1 1 104 104 THR N N 104 118.430 118.430 113.480 4.950 19286 263 1 1 . 1 1 104 104 THR HA H 104 4.760 4.760 4.510 0.250 19286 264 1 1 . 1 1 104 104 THR CA C 104 63.440 63.440 60.944 2.495 19286 265 1 1 . 1 1 104 104 THR H H 104 8.430 8.430 8.261 0.169 19286 266 1 1 . 1 1 105 105 LYS N N 105 122.030 122.030 120.737 1.293 19286 267 1 1 . 1 1 105 105 LYS HA H 105 4.290 4.290 3.762 0.528 19286 268 1 1 . 1 1 105 105 LYS CA C 105 54.690 54.690 57.110 -2.420 19286 269 1 1 . 1 1 105 105 LYS H H 105 8.170 8.170 7.674 0.496 19286 270 1 1 . 1 1 107 107 PHE N N 107 118.490 118.490 117.137 1.353 19286 271 1 1 . 1 1 107 107 PHE H H 107 7.470 7.470 7.695 -0.225 19286 272 1 1 . 1 1 109 109 ASP N N 109 124.810 124.810 118.105 6.705 19286 273 1 1 . 1 1 109 109 ASP HA H 109 4.710 4.710 4.657 0.053 19286 274 1 1 . 1 1 109 109 ASP H H 109 9.130 9.130 8.391 0.739 19286 275 1 1 . 1 1 110 110 SER HA H 110 4.270 4.270 4.228 0.042 19286 276 1 1 . 1 1 110 110 SER CA C 110 59.690 59.690 60.366 -0.676 19286 277 1 1 . 1 1 111 111 GLU N N 111 123.780 123.780 120.865 2.915 19286 278 1 1 . 1 1 111 111 GLU HA H 111 4.060 4.060 3.938 0.122 19286 279 1 1 . 1 1 111 111 GLU CA C 111 58.440 58.440 60.153 -1.713 19286 280 1 1 . 1 1 111 111 GLU H H 111 7.410 7.410 8.517 -1.107 19286 281 1 1 . 1 1 112 112 LEU N N 112 120.180 120.180 115.690 4.490 19286 282 1 1 . 1 1 112 112 LEU HA H 112 3.900 3.900 3.929 -0.029 19286 283 1 1 . 1 1 112 112 LEU CA C 112 58.440 58.440 58.041 0.399 19286 284 1 1 . 1 1 112 112 LEU H H 112 7.670 7.670 7.911 -0.241 19286 285 1 1 . 1 1 113 113 GLU N N 113 118.380 118.380 120.415 -2.035 19286 286 1 1 . 1 1 113 113 GLU HA H 113 3.730 3.730 3.781 -0.051 19286 287 1 1 . 1 1 113 113 GLU CA C 113 60.940 60.940 59.423 1.517 19286 288 1 1 . 1 1 113 113 GLU H H 113 8.530 8.530 8.178 0.352 19286 289 1 1 . 1 1 114 114 ALA N N 114 117.790 117.790 119.410 -1.620 19286 290 1 1 . 1 1 114 114 ALA HA H 114 4.140 4.140 4.106 0.034 19286 291 1 1 . 1 1 114 114 ALA CA C 114 55.540 55.540 54.611 0.930 19286 292 1 1 . 1 1 114 114 ALA CB C 114 18.440 18.440 18.875 -0.435 19286 293 1 1 . 1 1 114 114 ALA H H 114 7.480 7.480 7.741 -0.261 19286 294 1 1 . 1 1 115 115 VAL N N 115 116.000 116.000 114.844 1.156 19286 295 1 1 . 1 1 115 115 VAL HA H 115 4.030 4.030 4.125 -0.095 19286 296 1 1 . 1 1 115 115 VAL CA C 115 65.940 65.940 64.266 1.674 19286 297 1 1 . 1 1 115 115 VAL H H 115 7.540 7.540 7.508 0.032 19286 298 1 1 . 1 1 116 116 LEU HA H 116 4.280 4.280 4.249 0.031 19286 299 1 1 . 1 1 116 116 LEU CA C 116 57.570 57.570 57.801 -0.231 19286 300 1 1 . 1 1 117 117 VAL N N 117 119.140 119.140 115.738 3.402 19286 301 1 1 . 1 1 117 117 VAL H H 117 8.200 8.200 8.199 0.001 19286 302 1 1 . 1 1 120 120 SER N N 120 115.730 115.730 112.867 2.863 19286 303 1 1 . 1 1 120 120 SER H H 120 7.780 7.780 8.460 -0.680 19286 304 1 1 . 1 1 121 121 LYS N N 121 120.870 120.870 119.007 1.863 19286 305 1 1 . 1 1 121 121 LYS H H 121 7.540 7.540 8.065 -0.525 19286 306 1 1 . 1 1 122 122 GLU N N 122 120.160 120.160 118.529 1.631 19286 307 1 1 . 1 1 122 122 GLU H H 122 8.140 8.140 8.263 -0.123 19286 308 1 2 . 1 1 4 4 MET N N 4 121.520 121.520 121.385 0.135 19286 309 1 2 . 1 1 4 4 MET H H 4 8.450 8.450 8.456 -0.006 19286 310 1 2 . 1 1 5 5 THR N N 5 115.270 115.270 117.183 -1.913 19286 311 1 2 . 1 1 5 5 THR H H 5 8.090 8.090 8.320 -0.230 19286 312 1 2 . 1 1 6 6 GLU N N 6 123.580 123.580 118.859 4.721 19286 313 1 2 . 1 1 6 6 GLU H H 6 8.430 8.430 8.769 -0.339 19286 314 1 2 . 1 1 7 7 ARG N N 7 120.850 120.850 115.103 5.747 19286 315 1 2 . 1 1 7 7 ARG H H 7 8.030 8.030 7.874 0.156 19286 316 1 2 . 1 1 8 8 ARG N N 8 125.410 125.410 121.378 4.032 19286 317 1 2 . 1 1 8 8 ARG HA H 8 4.370 4.370 4.315 0.055 19286 318 1 2 . 1 1 8 8 ARG H H 8 8.310 8.310 8.122 0.188 19286 319 1 2 . 1 1 9 9 LEU N N 9 130.330 130.330 117.836 12.494 19286 320 1 2 . 1 1 9 9 LEU HA H 9 4.610 4.610 4.442 0.168 19286 321 1 2 . 1 1 9 9 LEU H H 9 11.100 11.100 7.987 3.113 19286 322 1 2 . 1 1 10 10 ARG N N 10 121.420 121.420 114.117 7.303 19286 323 1 2 . 1 1 10 10 ARG HA H 10 5.010 5.010 4.185 0.825 19286 324 1 2 . 1 1 10 10 ARG CA C 10 55.940 55.940 53.648 2.292 19286 325 1 2 . 1 1 10 10 ARG H H 10 9.620 9.620 7.741 1.879 19286 326 1 2 . 1 1 11 11 VAL N N 11 125.110 125.110 116.623 8.487 19286 327 1 2 . 1 1 11 11 VAL HA H 11 4.970 4.970 4.578 0.392 19286 328 1 2 . 1 1 11 11 VAL H H 11 9.210 9.210 8.368 0.842 19286 329 1 2 . 1 1 12 12 LEU N N 12 130.050 130.050 128.720 1.330 19286 330 1 2 . 1 1 12 12 LEU HA H 12 4.780 4.780 4.580 0.200 19286 331 1 2 . 1 1 12 12 LEU H H 12 8.260 8.260 8.944 -0.684 19286 332 1 2 . 1 1 13 13 VAL N N 13 128.060 128.060 124.923 3.137 19286 333 1 2 . 1 1 13 13 VAL HA H 13 4.610 4.610 4.288 0.322 19286 334 1 2 . 1 1 13 13 VAL H H 13 8.330 8.330 8.159 0.171 19286 335 1 2 . 1 1 14 14 VAL N N 14 128.470 128.470 120.710 7.760 19286 336 1 2 . 1 1 14 14 VAL HA H 14 4.700 4.700 4.703 -0.003 19286 337 1 2 . 1 1 14 14 VAL H H 14 8.840 8.840 8.956 -0.116 19286 338 1 2 . 1 1 15 15 GLU N N 15 124.840 124.840 124.947 -0.107 19286 339 1 2 . 1 1 15 15 GLU HA H 15 4.620 4.620 4.629 -0.009 19286 340 1 2 . 1 1 15 15 GLU H H 15 7.950 7.950 8.447 -0.497 19286 341 1 2 . 1 1 16 16 ASP N N 16 125.840 125.840 124.243 1.597 19286 342 1 2 . 1 1 16 16 ASP HA H 16 4.540 4.540 4.398 0.142 19286 343 1 2 . 1 1 16 16 ASP H H 16 9.360 9.360 8.710 0.650 19286 344 1 2 . 1 1 17 17 GLU HA H 17 4.290 4.290 4.334 -0.044 19286 345 1 2 . 1 1 17 17 GLU CA C 17 55.540 55.540 55.531 0.009 19286 346 1 2 . 1 1 18 18 SER N N 18 124.990 124.990 115.271 9.719 19286 347 1 2 . 1 1 18 18 SER HA H 18 4.610 4.610 4.376 0.234 19286 348 1 2 . 1 1 18 18 SER H H 18 8.820 8.820 8.896 -0.076 19286 349 1 2 . 1 1 19 19 MET N N 19 119.940 119.940 120.426 -0.486 19286 350 1 2 . 1 1 19 19 MET H H 19 9.030 9.030 8.012 1.018 19286 351 1 2 . 1 1 20 20 ILE N N 20 118.700 118.700 116.870 1.830 19286 352 1 2 . 1 1 20 20 ILE H H 20 7.200 7.200 7.485 -0.285 19286 353 1 2 . 1 1 21 21 ALA N N 21 123.500 123.500 124.685 -1.185 19286 354 1 2 . 1 1 21 21 ALA CB C 21 18.860 18.860 18.900 -0.040 19286 355 1 2 . 1 1 21 21 ALA H H 21 8.370 8.370 7.849 0.521 19286 356 1 2 . 1 1 22 22 MET N N 22 115.790 115.790 120.275 -4.485 19286 357 1 2 . 1 1 22 22 MET HA H 22 4.160 4.160 4.221 -0.061 19286 358 1 2 . 1 1 22 22 MET CA C 22 58.440 58.440 58.386 0.053 19286 359 1 2 . 1 1 22 22 MET H H 22 8.090 8.090 7.796 0.294 19286 360 1 2 . 1 1 23 23 LEU N N 23 120.400 120.400 118.667 1.733 19286 361 1 2 . 1 1 23 23 LEU H H 23 7.490 7.490 7.845 -0.355 19286 362 1 2 . 1 1 24 24 ILE N N 24 120.840 120.840 120.452 0.388 19286 363 1 2 . 1 1 24 24 ILE HA H 24 3.520 3.520 4.367 -0.847 19286 364 1 2 . 1 1 24 24 ILE CA C 24 67.190 67.190 62.513 4.677 19286 365 1 2 . 1 1 24 24 ILE CB C 24 38.440 38.440 40.117 -1.677 19286 366 1 2 . 1 1 24 24 ILE H H 24 8.630 8.630 8.615 0.015 19286 367 1 2 . 1 1 25 25 GLU N N 25 119.380 119.380 119.804 -0.424 19286 368 1 2 . 1 1 25 25 GLU H H 25 8.550 8.550 7.768 0.782 19286 369 1 2 . 1 1 26 26 ASP N N 26 119.700 119.700 116.906 2.794 19286 370 1 2 . 1 1 26 26 ASP H H 26 8.890 8.890 7.802 1.088 19286 371 1 2 . 1 1 27 27 THR N N 27 117.460 117.460 115.423 2.037 19286 372 1 2 . 1 1 27 27 THR HA H 27 4.270 4.270 4.053 0.217 19286 373 1 2 . 1 1 27 27 THR CA C 27 68.890 68.890 65.573 3.317 19286 374 1 2 . 1 1 27 27 THR H H 27 8.100 8.100 7.208 0.892 19286 375 1 2 . 1 1 28 28 LEU N N 28 120.440 120.440 123.285 -2.845 19286 376 1 2 . 1 1 28 28 LEU HA H 28 3.920 3.920 4.089 -0.169 19286 377 1 2 . 1 1 28 28 LEU CA C 28 58.440 58.440 57.878 0.562 19286 378 1 2 . 1 1 28 28 LEU H H 28 8.610 8.610 8.162 0.448 19286 379 1 2 . 1 1 29 29 CYS N N 29 116.920 116.920 117.742 -0.822 19286 380 1 2 . 1 1 29 29 CYS H H 29 8.180 8.180 7.727 0.453 19286 381 1 2 . 1 1 30 30 GLU N N 30 122.820 122.820 119.867 2.953 19286 382 1 2 . 1 1 30 30 GLU HA H 30 4.160 4.160 4.210 -0.050 19286 383 1 2 . 1 1 30 30 GLU CA C 30 59.690 59.690 58.378 1.312 19286 384 1 2 . 1 1 30 30 GLU H H 30 8.060 8.060 7.923 0.137 19286 385 1 2 . 1 1 31 31 LEU N N 31 116.980 116.980 118.225 -1.245 19286 386 1 2 . 1 1 31 31 LEU H H 31 7.660 7.660 7.656 0.004 19286 387 1 2 . 1 1 32 32 GLY N N 32 105.410 105.410 106.340 -0.930 19286 388 1 2 . 1 1 32 32 GLY H H 32 7.600 7.600 8.151 -0.551 19286 389 1 2 . 1 1 33 33 HIS N N 33 119.380 119.380 117.878 1.502 19286 390 1 2 . 1 1 33 33 HIS HA H 33 5.130 5.130 4.293 0.838 19286 391 1 2 . 1 1 33 33 HIS CA C 33 56.350 56.350 57.650 -1.300 19286 392 1 2 . 1 1 33 33 HIS CB C 33 33.470 33.470 30.241 3.229 19286 393 1 2 . 1 1 33 33 HIS H H 33 7.780 7.780 7.782 -0.002 19286 394 1 2 . 1 1 34 34 GLU N N 34 117.930 117.930 119.070 -1.140 19286 395 1 2 . 1 1 34 34 GLU H H 34 8.870 8.870 8.127 0.743 19286 396 1 2 . 1 1 35 35 VAL N N 35 125.860 125.860 113.705 12.155 19286 397 1 2 . 1 1 35 35 VAL HA H 35 4.710 4.710 4.319 0.391 19286 398 1 2 . 1 1 35 35 VAL H H 35 8.870 8.870 7.852 1.018 19286 399 1 2 . 1 1 36 36 ALA N N 36 132.950 132.950 128.976 3.974 19286 400 1 2 . 1 1 36 36 ALA HA H 36 4.200 4.200 4.368 -0.168 19286 401 1 2 . 1 1 36 36 ALA CB C 36 23.860 23.860 19.974 3.886 19286 402 1 2 . 1 1 36 36 ALA H H 36 9.110 9.110 8.044 1.066 19286 403 1 2 . 1 1 37 37 ALA N N 37 115.420 115.420 119.860 -4.440 19286 404 1 2 . 1 1 37 37 ALA H H 37 7.480 7.480 7.942 -0.462 19286 405 1 2 . 1 1 38 38 THR N N 38 112.980 112.980 111.086 1.894 19286 406 1 2 . 1 1 38 38 THR H H 38 8.170 8.170 8.060 0.110 19286 407 1 2 . 1 1 39 39 ALA CB C 39 22.610 22.610 19.105 3.505 19286 408 1 2 . 1 1 40 40 SER N N 40 113.630 113.630 116.325 -2.695 19286 409 1 2 . 1 1 40 40 SER HA H 40 4.450 4.450 4.430 0.020 19286 410 1 2 . 1 1 40 40 SER CA C 40 57.480 57.480 58.576 -1.096 19286 411 1 2 . 1 1 40 40 SER H H 40 8.980 8.980 8.348 0.632 19286 412 1 2 . 1 1 41 41 ARG N N 41 117.890 117.890 127.852 -9.962 19286 413 1 2 . 1 1 41 41 ARG CB C 41 34.110 34.110 32.551 1.559 19286 414 1 2 . 1 1 41 41 ARG H H 41 7.340 7.340 8.143 -0.803 19286 415 1 2 . 1 1 42 42 MET N N 42 123.460 123.460 124.887 -1.427 19286 416 1 2 . 1 1 42 42 MET HA H 42 4.040 4.040 3.392 0.648 19286 417 1 2 . 1 1 42 42 MET H H 42 9.340 9.340 8.873 0.467 19286 418 1 2 . 1 1 43 43 GLN N N 43 117.010 117.010 119.888 -2.878 19286 419 1 2 . 1 1 43 43 GLN H H 43 8.940 8.940 8.254 0.686 19286 420 1 2 . 1 1 44 44 GLU N N 44 117.430 117.430 119.265 -1.835 19286 421 1 2 . 1 1 44 44 GLU CB C 44 26.690 26.690 29.262 -2.572 19286 422 1 2 . 1 1 44 44 GLU H H 44 7.160 7.160 8.648 -1.488 19286 423 1 2 . 1 1 45 45 ALA N N 45 121.060 121.060 121.899 -0.839 19286 424 1 2 . 1 1 45 45 ALA HA H 45 3.680 3.680 4.085 -0.405 19286 425 1 2 . 1 1 45 45 ALA CA C 45 55.940 55.940 55.193 0.747 19286 426 1 2 . 1 1 45 45 ALA CB C 45 20.940 20.940 18.543 2.397 19286 427 1 2 . 1 1 45 45 ALA H H 45 8.220 8.220 8.387 -0.167 19286 428 1 2 . 1 1 46 46 LEU N N 46 116.750 116.750 118.873 -2.123 19286 429 1 2 . 1 1 46 46 LEU H H 46 8.350 8.350 7.907 0.443 19286 430 1 2 . 1 1 47 47 ASP N N 47 117.760 117.760 116.833 0.927 19286 431 1 2 . 1 1 47 47 ASP H H 47 7.400 7.400 7.618 -0.218 19286 432 1 2 . 1 1 48 48 ILE N N 48 118.660 118.660 114.215 4.445 19286 433 1 2 . 1 1 48 48 ILE H H 48 8.220 8.220 7.386 0.834 19286 434 1 2 . 1 1 49 49 ALA N N 49 123.150 123.150 123.758 -0.608 19286 435 1 2 . 1 1 49 49 ALA HA H 49 4.040 4.040 3.968 0.072 19286 436 1 2 . 1 1 49 49 ALA CA C 49 55.940 55.940 53.827 2.114 19286 437 1 2 . 1 1 49 49 ALA CB C 49 18.120 18.120 18.862 -0.742 19286 438 1 2 . 1 1 49 49 ALA H H 49 8.610 8.610 7.446 1.164 19286 439 1 2 . 1 1 50 50 ARG N N 50 113.110 113.110 118.610 -5.500 19286 440 1 2 . 1 1 50 50 ARG CB C 50 26.570 26.570 29.779 -3.209 19286 441 1 2 . 1 1 50 50 ARG H H 50 7.440 7.440 7.886 -0.446 19286 442 1 2 . 1 1 51 51 LYS N N 51 114.910 114.910 117.463 -2.553 19286 443 1 2 . 1 1 51 51 LYS H H 51 7.550 7.550 7.612 -0.062 19286 444 1 2 . 1 1 52 52 GLY N N 52 108.150 108.150 106.605 1.545 19286 445 1 2 . 1 1 52 52 GLY H H 52 8.920 8.920 8.162 0.758 19286 446 1 2 . 1 1 53 53 GLN N N 53 120.450 120.450 119.447 1.003 19286 447 1 2 . 1 1 53 53 GLN H H 53 8.320 8.320 8.156 0.164 19286 448 1 2 . 1 1 54 54 PHE N N 54 119.090 119.090 117.193 1.897 19286 449 1 2 . 1 1 54 54 PHE H H 54 7.180 7.180 8.375 -1.195 19286 450 1 2 . 1 1 55 55 ASP N N 55 117.290 117.290 112.330 4.960 19286 451 1 2 . 1 1 55 55 ASP H H 55 9.330 9.330 6.675 2.655 19286 452 1 2 . 1 1 56 56 ILE N N 56 109.550 109.550 120.365 -10.815 19286 453 1 2 . 1 1 56 56 ILE HA H 56 5.220 5.220 4.448 0.772 19286 454 1 2 . 1 1 56 56 ILE CA C 56 59.690 59.690 60.411 -0.721 19286 455 1 2 . 1 1 56 56 ILE H H 56 7.690 7.690 7.434 0.256 19286 456 1 2 . 1 1 57 57 ALA N N 57 122.390 122.390 125.570 -3.180 19286 457 1 2 . 1 1 57 57 ALA HA H 57 5.480 5.480 5.458 0.022 19286 458 1 2 . 1 1 57 57 ALA CA C 57 50.940 50.940 51.553 -0.613 19286 459 1 2 . 1 1 57 57 ALA H H 57 8.000 8.000 8.453 -0.453 19286 460 1 2 . 1 1 59 59 ILE N N 59 122.950 122.950 128.760 -5.810 19286 461 1 2 . 1 1 59 59 ILE HA H 59 4.990 4.990 4.457 0.533 19286 462 1 2 . 1 1 59 59 ILE CA C 59 57.190 57.190 60.272 -3.082 19286 463 1 2 . 1 1 59 59 ILE H H 59 8.930 8.930 7.766 1.164 19286 464 1 2 . 1 1 60 60 ASP N N 60 127.320 127.320 124.895 2.425 19286 465 1 2 . 1 1 60 60 ASP HA H 60 5.100 5.100 4.352 0.748 19286 466 1 2 . 1 1 60 60 ASP CA C 60 55.100 55.100 54.289 0.811 19286 467 1 2 . 1 1 60 60 ASP H H 60 8.360 8.360 7.685 0.675 19286 468 1 2 . 1 1 61 61 VAL N N 61 121.040 121.040 119.850 1.190 19286 469 1 2 . 1 1 61 61 VAL HA H 61 3.700 3.700 3.981 -0.281 19286 470 1 2 . 1 1 61 61 VAL CA C 61 64.630 64.630 62.405 2.225 19286 471 1 2 . 1 1 61 61 VAL CB C 61 31.590 31.590 31.416 0.174 19286 472 1 2 . 1 1 61 61 VAL H H 61 8.540 8.540 8.106 0.434 19286 473 1 2 . 1 1 63 63 LEU N N 63 121.830 121.830 121.640 0.190 19286 474 1 2 . 1 1 63 63 LEU HA H 63 4.400 4.400 4.573 -0.173 19286 475 1 2 . 1 1 63 63 LEU CA C 63 52.810 52.810 55.056 -2.246 19286 476 1 2 . 1 1 63 63 LEU H H 63 8.960 8.960 7.768 1.192 19286 477 1 2 . 1 1 64 64 ASP N N 64 128.450 128.450 121.965 6.485 19286 478 1 2 . 1 1 64 64 ASP HA H 64 4.290 4.290 4.447 -0.157 19286 479 1 2 . 1 1 64 64 ASP CA C 64 55.940 55.940 55.633 0.307 19286 480 1 2 . 1 1 64 64 ASP CB C 64 40.390 40.390 40.575 -0.185 19286 481 1 2 . 1 1 64 64 ASP H H 64 9.840 9.840 9.010 0.830 19286 482 1 2 . 1 1 65 65 GLY N N 65 133.580 133.580 103.141 30.439 19286 483 1 2 . 1 1 65 65 GLY H H 65 8.400 8.400 7.818 0.582 19286 484 1 2 . 1 1 66 66 GLU N N 66 121.110 121.110 120.076 1.034 19286 485 1 2 . 1 1 66 66 GLU HA H 66 4.920 4.920 4.115 0.805 19286 486 1 2 . 1 1 66 66 GLU CA C 66 53.100 53.100 56.289 -3.189 19286 487 1 2 . 1 1 66 66 GLU H H 66 7.790 7.790 7.782 0.008 19286 488 1 2 . 1 1 69 69 TYR N N 69 120.020 120.020 117.581 2.439 19286 489 1 2 . 1 1 69 69 TYR HA H 69 4.410 4.410 4.121 0.289 19286 490 1 2 . 1 1 69 69 TYR CA C 69 60.970 60.970 57.268 3.702 19286 491 1 2 . 1 1 69 69 TYR H H 69 6.480 6.480 7.542 -1.062 19286 492 1 2 . 1 1 71 71 VAL N N 71 115.000 115.000 119.065 -4.065 19286 493 1 2 . 1 1 71 71 VAL H H 71 7.640 7.640 7.549 0.091 19286 494 1 2 . 1 1 72 72 ALA N N 72 122.000 122.000 123.983 -1.983 19286 495 1 2 . 1 1 72 72 ALA CB C 72 20.110 20.110 18.544 1.566 19286 496 1 2 . 1 1 72 72 ALA H H 72 6.890 6.890 7.870 -0.980 19286 497 1 2 . 1 1 73 73 ASP N N 73 116.020 116.020 118.487 -2.467 19286 498 1 2 . 1 1 73 73 ASP H H 73 8.610 8.610 7.532 1.078 19286 499 1 2 . 1 1 74 74 ILE N N 74 120.950 120.950 120.046 0.904 19286 500 1 2 . 1 1 74 74 ILE H H 74 7.060 7.060 7.310 -0.250 19286 501 1 2 . 1 1 75 75 LEU N N 75 119.760 119.760 118.728 1.032 19286 502 1 2 . 1 1 75 75 LEU H H 75 7.460 7.460 7.923 -0.464 19286 503 1 2 . 1 1 76 76 ALA N N 76 121.160 121.160 120.430 0.730 19286 504 1 2 . 1 1 76 76 ALA H H 76 8.910 8.910 7.567 1.343 19286 505 1 2 . 1 1 77 77 GLU N N 77 120.340 120.340 118.157 2.183 19286 506 1 2 . 1 1 77 77 GLU H H 77 7.800 7.800 8.386 -0.586 19286 507 1 2 . 1 1 78 78 ARG N N 78 116.210 116.210 115.578 0.632 19286 508 1 2 . 1 1 78 78 ARG H H 78 7.740 7.740 7.351 0.389 19286 509 1 2 . 1 1 79 79 ASN N N 79 116.230 116.230 117.306 -1.076 19286 510 1 2 . 1 1 79 79 ASN H H 79 8.030 8.030 7.549 0.481 19286 511 1 2 . 1 1 80 80 VAL N N 80 121.200 121.200 115.037 6.163 19286 512 1 2 . 1 1 80 80 VAL H H 80 8.200 8.200 7.591 0.609 19286 513 1 2 . 1 1 82 82 PHE N N 82 113.440 113.440 119.719 -6.279 19286 514 1 2 . 1 1 82 82 PHE HA H 82 5.690 5.690 5.080 0.610 19286 515 1 2 . 1 1 82 82 PHE CA C 82 55.480 55.480 55.983 -0.503 19286 516 1 2 . 1 1 82 82 PHE CB C 82 43.610 43.610 40.215 3.394 19286 517 1 2 . 1 1 82 82 PHE H H 82 7.310 7.310 8.237 -0.927 19286 518 1 2 . 1 1 83 83 ILE N N 83 115.230 115.230 118.438 -3.208 19286 519 1 2 . 1 1 83 83 ILE HA H 83 4.260 4.260 3.360 0.900 19286 520 1 2 . 1 1 83 83 ILE CA C 83 59.690 59.690 61.069 -1.379 19286 521 1 2 . 1 1 83 83 ILE H H 83 7.880 7.880 7.822 0.058 19286 522 1 2 . 1 1 84 84 PHE N N 84 122.680 122.680 124.165 -1.485 19286 523 1 2 . 1 1 84 84 PHE HA H 84 6.190 6.190 4.983 1.207 19286 524 1 2 . 1 1 84 84 PHE CA C 84 55.470 55.470 57.208 -1.738 19286 525 1 2 . 1 1 84 84 PHE H H 84 8.360 8.360 8.393 -0.033 19286 526 1 2 . 1 1 85 85 ALA N N 85 123.760 123.760 123.461 0.299 19286 527 1 2 . 1 1 85 85 ALA HA H 85 5.540 5.540 5.093 0.447 19286 528 1 2 . 1 1 85 85 ALA CA C 85 50.940 50.940 51.768 -0.828 19286 529 1 2 . 1 1 85 85 ALA H H 85 8.570 8.570 7.375 1.195 19286 530 1 2 . 1 1 86 86 THR N N 86 114.260 114.260 114.485 -0.225 19286 531 1 2 . 1 1 86 86 THR HA H 86 4.290 4.290 4.624 -0.334 19286 532 1 2 . 1 1 86 86 THR CA C 86 56.720 56.720 60.818 -4.098 19286 533 1 2 . 1 1 86 86 THR CB C 86 69.610 69.610 69.675 -0.065 19286 534 1 2 . 1 1 86 86 THR H H 86 8.640 8.640 8.401 0.239 19286 535 1 2 . 1 1 87 87 GLY N N 87 112.830 112.830 107.478 5.352 19286 536 1 2 . 1 1 87 87 GLY H H 87 8.590 8.590 8.107 0.483 19286 537 1 2 . 1 1 89 89 GLY N N 89 111.750 111.750 110.023 1.727 19286 538 1 2 . 1 1 89 89 GLY H H 89 8.300 8.300 7.127 1.173 19286 539 1 2 . 1 1 90 90 SER CA C 90 57.970 57.970 59.689 -1.719 19286 540 1 2 . 1 1 90 90 SER H H 90 4.990 4.990 8.074 -3.084 19286 541 1 2 . 1 1 91 91 LYS N N 91 122.950 122.950 121.504 1.446 19286 542 1 2 . 1 1 91 91 LYS H H 91 8.180 8.180 8.419 -0.239 19286 543 1 2 . 1 1 92 92 GLY N N 92 109.390 109.390 110.214 -0.824 19286 544 1 2 . 1 1 92 92 GLY H H 92 8.320 8.320 8.364 -0.044 19286 545 1 2 . 1 1 93 93 LEU N N 93 121.760 121.760 117.074 4.686 19286 546 1 2 . 1 1 93 93 LEU CB C 93 42.970 42.970 43.707 -0.737 19286 547 1 2 . 1 1 93 93 LEU H H 93 7.910 7.910 7.687 0.223 19286 548 1 2 . 1 1 94 94 ASP N N 94 122.710 122.710 117.234 5.476 19286 549 1 2 . 1 1 94 94 ASP H H 94 7.650 7.650 8.481 -0.831 19286 550 1 2 . 1 1 95 95 THR N N 95 117.650 117.650 112.913 4.737 19286 551 1 2 . 1 1 95 95 THR H H 95 8.210 8.210 8.274 -0.064 19286 552 1 2 . 1 1 96 96 ARG N N 96 122.360 122.360 122.116 0.244 19286 553 1 2 . 1 1 96 96 ARG H H 96 8.700 8.700 8.956 -0.256 19286 554 1 2 . 1 1 97 97 TYR N N 97 117.080 117.080 118.783 -1.703 19286 555 1 2 . 1 1 97 97 TYR CB C 97 39.220 39.220 38.845 0.375 19286 556 1 2 . 1 1 97 97 TYR H H 97 8.000 8.000 7.730 0.270 19286 557 1 2 . 1 1 98 98 SER N N 98 114.730 114.730 111.305 3.425 19286 558 1 2 . 1 1 98 98 SER H H 98 7.580 7.580 8.151 -0.571 19286 559 1 2 . 1 1 99 99 ASN N N 99 117.230 117.230 117.328 -0.098 19286 560 1 2 . 1 1 99 99 ASN H H 99 8.600 8.600 8.466 0.134 19286 561 1 2 . 1 1 100 100 ILE N N 100 124.250 124.250 111.903 12.347 19286 562 1 2 . 1 1 100 100 ILE H H 100 7.520 7.520 7.797 -0.277 19286 563 1 2 . 1 1 102 102 LEU N N 102 121.060 121.060 119.829 1.231 19286 564 1 2 . 1 1 102 102 LEU H H 102 7.870 7.870 7.838 0.032 19286 565 1 2 . 1 1 103 103 LEU N N 103 126.970 126.970 114.714 12.256 19286 566 1 2 . 1 1 103 103 LEU HA H 103 4.620 4.620 4.730 -0.110 19286 567 1 2 . 1 1 103 103 LEU CA C 103 54.690 54.690 54.908 -0.218 19286 568 1 2 . 1 1 103 103 LEU H H 103 9.080 9.080 8.066 1.014 19286 569 1 2 . 1 1 104 104 THR N N 104 118.430 118.430 114.128 4.302 19286 570 1 2 . 1 1 104 104 THR HA H 104 4.760 4.760 4.267 0.493 19286 571 1 2 . 1 1 104 104 THR CA C 104 63.440 63.440 60.078 3.362 19286 572 1 2 . 1 1 104 104 THR H H 104 8.430 8.430 8.210 0.220 19286 573 1 2 . 1 1 105 105 LYS N N 105 122.030 122.030 119.865 2.165 19286 574 1 2 . 1 1 105 105 LYS HA H 105 4.290 4.290 3.735 0.555 19286 575 1 2 . 1 1 105 105 LYS CA C 105 54.690 54.690 56.801 -2.111 19286 576 1 2 . 1 1 105 105 LYS H H 105 8.170 8.170 8.072 0.098 19286 577 1 2 . 1 1 107 107 PHE N N 107 118.490 118.490 115.234 3.256 19286 578 1 2 . 1 1 107 107 PHE H H 107 7.470 7.470 7.413 0.057 19286 579 1 2 . 1 1 109 109 ASP N N 109 124.810 124.810 113.617 11.193 19286 580 1 2 . 1 1 109 109 ASP HA H 109 4.710 4.710 4.528 0.182 19286 581 1 2 . 1 1 109 109 ASP H H 109 9.130 9.130 8.370 0.760 19286 582 1 2 . 1 1 110 110 SER HA H 110 4.270 4.270 4.314 -0.044 19286 583 1 2 . 1 1 110 110 SER CA C 110 59.690 59.690 60.223 -0.533 19286 584 1 2 . 1 1 111 111 GLU N N 111 123.780 123.780 121.441 2.339 19286 585 1 2 . 1 1 111 111 GLU HA H 111 4.060 4.060 3.908 0.152 19286 586 1 2 . 1 1 111 111 GLU CA C 111 58.440 58.440 59.561 -1.121 19286 587 1 2 . 1 1 111 111 GLU H H 111 7.410 7.410 8.535 -1.125 19286 588 1 2 . 1 1 112 112 LEU N N 112 120.180 120.180 117.923 2.257 19286 589 1 2 . 1 1 112 112 LEU HA H 112 3.900 3.900 4.056 -0.156 19286 590 1 2 . 1 1 112 112 LEU CA C 112 58.440 58.440 57.442 0.998 19286 591 1 2 . 1 1 112 112 LEU H H 112 7.670 7.670 7.860 -0.190 19286 592 1 2 . 1 1 113 113 GLU N N 113 118.380 118.380 120.020 -1.640 19286 593 1 2 . 1 1 113 113 GLU HA H 113 3.730 3.730 3.842 -0.112 19286 594 1 2 . 1 1 113 113 GLU CA C 113 60.940 60.940 59.410 1.530 19286 595 1 2 . 1 1 113 113 GLU H H 113 8.530 8.530 7.794 0.736 19286 596 1 2 . 1 1 114 114 ALA N N 114 117.790 117.790 123.093 -5.303 19286 597 1 2 . 1 1 114 114 ALA HA H 114 4.140 4.140 4.261 -0.121 19286 598 1 2 . 1 1 114 114 ALA CA C 114 55.540 55.540 54.800 0.740 19286 599 1 2 . 1 1 114 114 ALA CB C 114 18.440 18.440 18.763 -0.323 19286 600 1 2 . 1 1 114 114 ALA H H 114 7.480 7.480 8.205 -0.725 19286 601 1 2 . 1 1 115 115 VAL N N 115 116.000 116.000 115.522 0.478 19286 602 1 2 . 1 1 115 115 VAL HA H 115 4.030 4.030 4.140 -0.110 19286 603 1 2 . 1 1 115 115 VAL CA C 115 65.940 65.940 64.467 1.473 19286 604 1 2 . 1 1 115 115 VAL H H 115 7.540 7.540 7.628 -0.088 19286 605 1 2 . 1 1 116 116 LEU HA H 116 4.280 4.280 4.320 -0.040 19286 606 1 2 . 1 1 116 116 LEU CA C 116 57.570 57.570 57.645 -0.076 19286 607 1 2 . 1 1 117 117 VAL N N 117 119.140 119.140 117.655 1.485 19286 608 1 2 . 1 1 117 117 VAL H H 117 8.200 8.200 8.525 -0.325 19286 609 1 2 . 1 1 120 120 SER N N 120 115.730 115.730 117.550 -1.820 19286 610 1 2 . 1 1 120 120 SER H H 120 7.780 7.780 7.660 0.120 19286 611 1 2 . 1 1 121 121 LYS N N 121 120.870 120.870 124.844 -3.974 19286 612 1 2 . 1 1 121 121 LYS H H 121 7.540 7.540 8.037 -0.497 19286 613 1 2 . 1 1 122 122 GLU N N 122 120.160 120.160 118.884 1.276 19286 614 1 2 . 1 1 122 122 GLU H H 122 8.140 8.140 8.504 -0.364 19286 615 1 3 . 1 1 4 4 MET N N 4 121.520 121.520 118.613 2.907 19286 616 1 3 . 1 1 4 4 MET H H 4 8.450 8.450 7.890 0.560 19286 617 1 3 . 1 1 5 5 THR N N 5 115.270 115.270 108.163 7.107 19286 618 1 3 . 1 1 5 5 THR H H 5 8.090 8.090 7.821 0.269 19286 619 1 3 . 1 1 6 6 GLU N N 6 123.580 123.580 117.073 6.507 19286 620 1 3 . 1 1 6 6 GLU H H 6 8.430 8.430 8.595 -0.166 19286 621 1 3 . 1 1 7 7 ARG N N 7 120.850 120.850 117.654 3.196 19286 622 1 3 . 1 1 7 7 ARG H H 7 8.030 8.030 7.890 0.140 19286 623 1 3 . 1 1 8 8 ARG N N 8 125.410 125.410 120.255 5.155 19286 624 1 3 . 1 1 8 8 ARG HA H 8 4.370 4.370 4.342 0.028 19286 625 1 3 . 1 1 8 8 ARG H H 8 8.310 8.310 8.069 0.241 19286 626 1 3 . 1 1 9 9 LEU N N 9 130.330 130.330 121.995 8.335 19286 627 1 3 . 1 1 9 9 LEU HA H 9 4.610 4.610 4.470 0.140 19286 628 1 3 . 1 1 9 9 LEU H H 9 11.100 11.100 7.990 3.110 19286 629 1 3 . 1 1 10 10 ARG N N 10 121.420 121.420 123.736 -2.316 19286 630 1 3 . 1 1 10 10 ARG HA H 10 5.010 5.010 4.393 0.617 19286 631 1 3 . 1 1 10 10 ARG CA C 10 55.940 55.940 54.493 1.447 19286 632 1 3 . 1 1 10 10 ARG H H 10 9.620 9.620 8.050 1.570 19286 633 1 3 . 1 1 11 11 VAL N N 11 125.110 125.110 118.690 6.420 19286 634 1 3 . 1 1 11 11 VAL HA H 11 4.970 4.970 5.066 -0.096 19286 635 1 3 . 1 1 11 11 VAL H H 11 9.210 9.210 8.392 0.818 19286 636 1 3 . 1 1 12 12 LEU N N 12 130.050 130.050 128.764 1.286 19286 637 1 3 . 1 1 12 12 LEU HA H 12 4.780 4.780 4.719 0.061 19286 638 1 3 . 1 1 12 12 LEU H H 12 8.260 8.260 9.200 -0.940 19286 639 1 3 . 1 1 13 13 VAL N N 13 128.060 128.060 124.359 3.701 19286 640 1 3 . 1 1 13 13 VAL HA H 13 4.610 4.610 4.264 0.346 19286 641 1 3 . 1 1 13 13 VAL H H 13 8.330 8.330 8.001 0.329 19286 642 1 3 . 1 1 14 14 VAL N N 14 128.470 128.470 118.269 10.201 19286 643 1 3 . 1 1 14 14 VAL HA H 14 4.700 4.700 4.567 0.133 19286 644 1 3 . 1 1 14 14 VAL H H 14 8.840 8.840 8.793 0.047 19286 645 1 3 . 1 1 15 15 GLU N N 15 124.840 124.840 124.156 0.684 19286 646 1 3 . 1 1 15 15 GLU HA H 15 4.620 4.620 4.645 -0.025 19286 647 1 3 . 1 1 15 15 GLU H H 15 7.950 7.950 8.507 -0.557 19286 648 1 3 . 1 1 16 16 ASP N N 16 125.840 125.840 127.621 -1.781 19286 649 1 3 . 1 1 16 16 ASP HA H 16 4.540 4.540 4.210 0.330 19286 650 1 3 . 1 1 16 16 ASP H H 16 9.360 9.360 9.012 0.348 19286 651 1 3 . 1 1 17 17 GLU HA H 17 4.290 4.290 4.287 0.003 19286 652 1 3 . 1 1 17 17 GLU CA C 17 55.540 55.540 56.492 -0.952 19286 653 1 3 . 1 1 18 18 SER N N 18 124.990 124.990 114.942 10.048 19286 654 1 3 . 1 1 18 18 SER HA H 18 4.610 4.610 4.519 0.091 19286 655 1 3 . 1 1 18 18 SER H H 18 8.820 8.820 8.801 0.019 19286 656 1 3 . 1 1 19 19 MET N N 19 119.940 119.940 120.825 -0.885 19286 657 1 3 . 1 1 19 19 MET H H 19 9.030 9.030 8.128 0.902 19286 658 1 3 . 1 1 20 20 ILE N N 20 118.700 118.700 116.943 1.757 19286 659 1 3 . 1 1 20 20 ILE H H 20 7.200 7.200 7.741 -0.541 19286 660 1 3 . 1 1 21 21 ALA N N 21 123.500 123.500 125.099 -1.599 19286 661 1 3 . 1 1 21 21 ALA CB C 21 18.860 18.860 19.031 -0.171 19286 662 1 3 . 1 1 21 21 ALA H H 21 8.370 8.370 8.557 -0.187 19286 663 1 3 . 1 1 22 22 MET N N 22 115.790 115.790 120.558 -4.768 19286 664 1 3 . 1 1 22 22 MET HA H 22 4.160 4.160 4.240 -0.080 19286 665 1 3 . 1 1 22 22 MET CA C 22 58.440 58.440 58.442 -0.002 19286 666 1 3 . 1 1 22 22 MET H H 22 8.090 8.090 8.224 -0.134 19286 667 1 3 . 1 1 23 23 LEU N N 23 120.400 120.400 119.447 0.953 19286 668 1 3 . 1 1 23 23 LEU H H 23 7.490 7.490 8.098 -0.608 19286 669 1 3 . 1 1 24 24 ILE N N 24 120.840 120.840 117.539 3.301 19286 670 1 3 . 1 1 24 24 ILE HA H 24 3.520 3.520 4.068 -0.548 19286 671 1 3 . 1 1 24 24 ILE CA C 24 67.190 67.190 62.700 4.490 19286 672 1 3 . 1 1 24 24 ILE CB C 24 38.440 38.440 39.764 -1.323 19286 673 1 3 . 1 1 24 24 ILE H H 24 8.630 8.630 8.396 0.234 19286 674 1 3 . 1 1 25 25 GLU N N 25 119.380 119.380 120.007 -0.627 19286 675 1 3 . 1 1 25 25 GLU H H 25 8.550 8.550 7.780 0.770 19286 676 1 3 . 1 1 26 26 ASP N N 26 119.700 119.700 116.748 2.952 19286 677 1 3 . 1 1 26 26 ASP H H 26 8.890 8.890 7.946 0.944 19286 678 1 3 . 1 1 27 27 THR N N 27 117.460 117.460 116.276 1.184 19286 679 1 3 . 1 1 27 27 THR HA H 27 4.270 4.270 3.965 0.305 19286 680 1 3 . 1 1 27 27 THR CA C 27 68.890 68.890 65.677 3.213 19286 681 1 3 . 1 1 27 27 THR H H 27 8.100 8.100 7.440 0.660 19286 682 1 3 . 1 1 28 28 LEU N N 28 120.440 120.440 122.920 -2.480 19286 683 1 3 . 1 1 28 28 LEU HA H 28 3.920 3.920 4.119 -0.199 19286 684 1 3 . 1 1 28 28 LEU CA C 28 58.440 58.440 57.972 0.468 19286 685 1 3 . 1 1 28 28 LEU H H 28 8.610 8.610 8.558 0.052 19286 686 1 3 . 1 1 29 29 CYS N N 29 116.920 116.920 117.357 -0.437 19286 687 1 3 . 1 1 29 29 CYS H H 29 8.180 8.180 7.749 0.431 19286 688 1 3 . 1 1 30 30 GLU N N 30 122.820 122.820 120.544 2.276 19286 689 1 3 . 1 1 30 30 GLU HA H 30 4.160 4.160 4.251 -0.091 19286 690 1 3 . 1 1 30 30 GLU CA C 30 59.690 59.690 58.275 1.415 19286 691 1 3 . 1 1 30 30 GLU H H 30 8.060 8.060 7.819 0.241 19286 692 1 3 . 1 1 31 31 LEU N N 31 116.980 116.980 118.083 -1.103 19286 693 1 3 . 1 1 31 31 LEU H H 31 7.660 7.660 8.018 -0.358 19286 694 1 3 . 1 1 32 32 GLY N N 32 105.410 105.410 105.693 -0.283 19286 695 1 3 . 1 1 32 32 GLY H H 32 7.600 7.600 8.125 -0.525 19286 696 1 3 . 1 1 33 33 HIS N N 33 119.380 119.380 117.799 1.581 19286 697 1 3 . 1 1 33 33 HIS HA H 33 5.130 5.130 4.298 0.832 19286 698 1 3 . 1 1 33 33 HIS CA C 33 56.350 56.350 57.890 -1.540 19286 699 1 3 . 1 1 33 33 HIS CB C 33 33.470 33.470 30.224 3.246 19286 700 1 3 . 1 1 33 33 HIS H H 33 7.780 7.780 7.715 0.065 19286 701 1 3 . 1 1 34 34 GLU N N 34 117.930 117.930 119.713 -1.783 19286 702 1 3 . 1 1 34 34 GLU H H 34 8.870 8.870 8.397 0.473 19286 703 1 3 . 1 1 35 35 VAL N N 35 125.860 125.860 115.399 10.461 19286 704 1 3 . 1 1 35 35 VAL HA H 35 4.710 4.710 4.396 0.314 19286 705 1 3 . 1 1 35 35 VAL H H 35 8.870 8.870 7.903 0.967 19286 706 1 3 . 1 1 36 36 ALA N N 36 132.950 132.950 130.413 2.537 19286 707 1 3 . 1 1 36 36 ALA HA H 36 4.200 4.200 4.655 -0.455 19286 708 1 3 . 1 1 36 36 ALA CB C 36 23.860 23.860 20.590 3.270 19286 709 1 3 . 1 1 36 36 ALA H H 36 9.110 9.110 8.355 0.755 19286 710 1 3 . 1 1 37 37 ALA N N 37 115.420 115.420 123.747 -8.327 19286 711 1 3 . 1 1 37 37 ALA H H 37 7.480 7.480 7.997 -0.517 19286 712 1 3 . 1 1 38 38 THR N N 38 112.980 112.980 112.079 0.901 19286 713 1 3 . 1 1 38 38 THR H H 38 8.170 8.170 8.459 -0.289 19286 714 1 3 . 1 1 39 39 ALA CB C 39 22.610 22.610 18.962 3.648 19286 715 1 3 . 1 1 40 40 SER N N 40 113.630 113.630 115.592 -1.962 19286 716 1 3 . 1 1 40 40 SER HA H 40 4.450 4.450 4.469 -0.019 19286 717 1 3 . 1 1 40 40 SER CA C 40 57.480 57.480 58.147 -0.667 19286 718 1 3 . 1 1 40 40 SER H H 40 8.980 8.980 8.398 0.582 19286 719 1 3 . 1 1 41 41 ARG N N 41 117.890 117.890 128.264 -10.374 19286 720 1 3 . 1 1 41 41 ARG CB C 41 34.110 34.110 32.247 1.863 19286 721 1 3 . 1 1 41 41 ARG H H 41 7.340 7.340 8.480 -1.140 19286 722 1 3 . 1 1 42 42 MET N N 42 123.460 123.460 125.072 -1.612 19286 723 1 3 . 1 1 42 42 MET HA H 42 4.040 4.040 3.540 0.500 19286 724 1 3 . 1 1 42 42 MET H H 42 9.340 9.340 8.954 0.386 19286 725 1 3 . 1 1 43 43 GLN N N 43 117.010 117.010 119.616 -2.606 19286 726 1 3 . 1 1 43 43 GLN H H 43 8.940 8.940 8.415 0.525 19286 727 1 3 . 1 1 44 44 GLU N N 44 117.430 117.430 119.287 -1.857 19286 728 1 3 . 1 1 44 44 GLU CB C 44 26.690 26.690 29.322 -2.631 19286 729 1 3 . 1 1 44 44 GLU H H 44 7.160 7.160 8.607 -1.447 19286 730 1 3 . 1 1 45 45 ALA N N 45 121.060 121.060 122.482 -1.422 19286 731 1 3 . 1 1 45 45 ALA HA H 45 3.680 3.680 3.982 -0.302 19286 732 1 3 . 1 1 45 45 ALA CA C 45 55.940 55.940 55.219 0.721 19286 733 1 3 . 1 1 45 45 ALA CB C 45 20.940 20.940 18.260 2.680 19286 734 1 3 . 1 1 45 45 ALA H H 45 8.220 8.220 8.277 -0.057 19286 735 1 3 . 1 1 46 46 LEU N N 46 116.750 116.750 118.358 -1.608 19286 736 1 3 . 1 1 46 46 LEU H H 46 8.350 8.350 7.520 0.830 19286 737 1 3 . 1 1 47 47 ASP N N 47 117.760 117.760 118.126 -0.366 19286 738 1 3 . 1 1 47 47 ASP H H 47 7.400 7.400 8.130 -0.730 19286 739 1 3 . 1 1 48 48 ILE N N 48 118.660 118.660 114.038 4.622 19286 740 1 3 . 1 1 48 48 ILE H H 48 8.220 8.220 7.660 0.560 19286 741 1 3 . 1 1 49 49 ALA N N 49 123.150 123.150 123.892 -0.742 19286 742 1 3 . 1 1 49 49 ALA HA H 49 4.040 4.040 4.092 -0.052 19286 743 1 3 . 1 1 49 49 ALA CA C 49 55.940 55.940 53.865 2.075 19286 744 1 3 . 1 1 49 49 ALA CB C 49 18.120 18.120 19.151 -1.031 19286 745 1 3 . 1 1 49 49 ALA H H 49 8.610 8.610 7.090 1.520 19286 746 1 3 . 1 1 50 50 ARG N N 50 113.110 113.110 118.094 -4.984 19286 747 1 3 . 1 1 50 50 ARG CB C 50 26.570 26.570 30.046 -3.476 19286 748 1 3 . 1 1 50 50 ARG H H 50 7.440 7.440 7.734 -0.294 19286 749 1 3 . 1 1 51 51 LYS N N 51 114.910 114.910 117.910 -3.000 19286 750 1 3 . 1 1 51 51 LYS H H 51 7.550 7.550 7.601 -0.051 19286 751 1 3 . 1 1 52 52 GLY N N 52 108.150 108.150 107.863 0.287 19286 752 1 3 . 1 1 52 52 GLY H H 52 8.920 8.920 8.478 0.442 19286 753 1 3 . 1 1 53 53 GLN N N 53 120.450 120.450 120.789 -0.339 19286 754 1 3 . 1 1 53 53 GLN H H 53 8.320 8.320 8.111 0.209 19286 755 1 3 . 1 1 54 54 PHE N N 54 119.090 119.090 114.181 4.909 19286 756 1 3 . 1 1 54 54 PHE H H 54 7.180 7.180 7.561 -0.381 19286 757 1 3 . 1 1 55 55 ASP N N 55 117.290 117.290 119.383 -2.093 19286 758 1 3 . 1 1 55 55 ASP H H 55 9.330 9.330 7.777 1.553 19286 759 1 3 . 1 1 56 56 ILE N N 56 109.550 109.550 118.925 -9.375 19286 760 1 3 . 1 1 56 56 ILE HA H 56 5.220 5.220 4.453 0.767 19286 761 1 3 . 1 1 56 56 ILE CA C 56 59.690 59.690 60.205 -0.515 19286 762 1 3 . 1 1 56 56 ILE H H 56 7.690 7.690 8.288 -0.598 19286 763 1 3 . 1 1 57 57 ALA N N 57 122.390 122.390 125.608 -3.218 19286 764 1 3 . 1 1 57 57 ALA HA H 57 5.480 5.480 5.219 0.261 19286 765 1 3 . 1 1 57 57 ALA CA C 57 50.940 50.940 51.621 -0.681 19286 766 1 3 . 1 1 57 57 ALA H H 57 8.000 8.000 8.494 -0.494 19286 767 1 3 . 1 1 59 59 ILE N N 59 122.950 122.950 128.633 -5.683 19286 768 1 3 . 1 1 59 59 ILE HA H 59 4.990 4.990 4.406 0.584 19286 769 1 3 . 1 1 59 59 ILE CA C 59 57.190 57.190 60.504 -3.314 19286 770 1 3 . 1 1 59 59 ILE H H 59 8.930 8.930 8.450 0.480 19286 771 1 3 . 1 1 60 60 ASP N N 60 127.320 127.320 124.169 3.151 19286 772 1 3 . 1 1 60 60 ASP HA H 60 5.100 5.100 4.395 0.705 19286 773 1 3 . 1 1 60 60 ASP CA C 60 55.100 55.100 53.621 1.479 19286 774 1 3 . 1 1 60 60 ASP H H 60 8.360 8.360 7.699 0.661 19286 775 1 3 . 1 1 61 61 VAL N N 61 121.040 121.040 116.358 4.682 19286 776 1 3 . 1 1 61 61 VAL HA H 61 3.700 3.700 3.742 -0.042 19286 777 1 3 . 1 1 61 61 VAL CA C 61 64.630 64.630 63.050 1.580 19286 778 1 3 . 1 1 61 61 VAL CB C 61 31.590 31.590 31.118 0.472 19286 779 1 3 . 1 1 61 61 VAL H H 61 8.540 8.540 8.542 -0.002 19286 780 1 3 . 1 1 63 63 LEU N N 63 121.830 121.830 120.686 1.144 19286 781 1 3 . 1 1 63 63 LEU HA H 63 4.400 4.400 4.456 -0.056 19286 782 1 3 . 1 1 63 63 LEU CA C 63 52.810 52.810 54.918 -2.108 19286 783 1 3 . 1 1 63 63 LEU H H 63 8.960 8.960 7.353 1.607 19286 784 1 3 . 1 1 64 64 ASP N N 64 128.450 128.450 120.370 8.080 19286 785 1 3 . 1 1 64 64 ASP HA H 64 4.290 4.290 4.446 -0.156 19286 786 1 3 . 1 1 64 64 ASP CA C 64 55.940 55.940 55.251 0.689 19286 787 1 3 . 1 1 64 64 ASP CB C 64 40.390 40.390 40.884 -0.494 19286 788 1 3 . 1 1 64 64 ASP H H 64 9.840 9.840 8.611 1.229 19286 789 1 3 . 1 1 65 65 GLY N N 65 133.580 133.580 105.921 27.659 19286 790 1 3 . 1 1 65 65 GLY H H 65 8.400 8.400 7.805 0.595 19286 791 1 3 . 1 1 66 66 GLU N N 66 121.110 121.110 120.562 0.548 19286 792 1 3 . 1 1 66 66 GLU HA H 66 4.920 4.920 4.002 0.918 19286 793 1 3 . 1 1 66 66 GLU CA C 66 53.100 53.100 56.149 -3.049 19286 794 1 3 . 1 1 66 66 GLU H H 66 7.790 7.790 8.342 -0.552 19286 795 1 3 . 1 1 69 69 TYR N N 69 120.020 120.020 117.543 2.477 19286 796 1 3 . 1 1 69 69 TYR HA H 69 4.410 4.410 4.171 0.239 19286 797 1 3 . 1 1 69 69 TYR CA C 69 60.970 60.970 57.320 3.650 19286 798 1 3 . 1 1 69 69 TYR H H 69 6.480 6.480 7.532 -1.052 19286 799 1 3 . 1 1 71 71 VAL N N 71 115.000 115.000 116.691 -1.691 19286 800 1 3 . 1 1 71 71 VAL H H 71 7.640 7.640 7.493 0.147 19286 801 1 3 . 1 1 72 72 ALA N N 72 122.000 122.000 123.459 -1.459 19286 802 1 3 . 1 1 72 72 ALA CB C 72 20.110 20.110 17.962 2.148 19286 803 1 3 . 1 1 72 72 ALA H H 72 6.890 6.890 8.094 -1.204 19286 804 1 3 . 1 1 73 73 ASP N N 73 116.020 116.020 118.178 -2.158 19286 805 1 3 . 1 1 73 73 ASP H H 73 8.610 8.610 7.636 0.974 19286 806 1 3 . 1 1 74 74 ILE N N 74 120.950 120.950 120.298 0.652 19286 807 1 3 . 1 1 74 74 ILE H H 74 7.060 7.060 7.334 -0.274 19286 808 1 3 . 1 1 75 75 LEU N N 75 119.760 119.760 119.603 0.157 19286 809 1 3 . 1 1 75 75 LEU H H 75 7.460 7.460 8.735 -1.275 19286 810 1 3 . 1 1 76 76 ALA N N 76 121.160 121.160 119.452 1.708 19286 811 1 3 . 1 1 76 76 ALA H H 76 8.910 8.910 7.658 1.252 19286 812 1 3 . 1 1 77 77 GLU N N 77 120.340 120.340 119.205 1.135 19286 813 1 3 . 1 1 77 77 GLU H H 77 7.800 7.800 8.083 -0.283 19286 814 1 3 . 1 1 78 78 ARG N N 78 116.210 116.210 115.369 0.841 19286 815 1 3 . 1 1 78 78 ARG H H 78 7.740 7.740 7.728 0.012 19286 816 1 3 . 1 1 79 79 ASN N N 79 116.230 116.230 117.411 -1.181 19286 817 1 3 . 1 1 79 79 ASN H H 79 8.030 8.030 7.596 0.434 19286 818 1 3 . 1 1 80 80 VAL N N 80 121.200 121.200 120.738 0.462 19286 819 1 3 . 1 1 80 80 VAL H H 80 8.200 8.200 7.244 0.956 19286 820 1 3 . 1 1 82 82 PHE N N 82 113.440 113.440 118.708 -5.268 19286 821 1 3 . 1 1 82 82 PHE HA H 82 5.690 5.690 5.004 0.686 19286 822 1 3 . 1 1 82 82 PHE CA C 82 55.480 55.480 55.473 0.007 19286 823 1 3 . 1 1 82 82 PHE CB C 82 43.610 43.610 40.373 3.237 19286 824 1 3 . 1 1 82 82 PHE H H 82 7.310 7.310 7.201 0.109 19286 825 1 3 . 1 1 83 83 ILE N N 83 115.230 115.230 118.706 -3.476 19286 826 1 3 . 1 1 83 83 ILE HA H 83 4.260 4.260 4.056 0.204 19286 827 1 3 . 1 1 83 83 ILE CA C 83 59.690 59.690 60.935 -1.245 19286 828 1 3 . 1 1 83 83 ILE H H 83 7.880 7.880 7.890 -0.010 19286 829 1 3 . 1 1 84 84 PHE N N 84 122.680 122.680 123.803 -1.123 19286 830 1 3 . 1 1 84 84 PHE HA H 84 6.190 6.190 4.958 1.232 19286 831 1 3 . 1 1 84 84 PHE CA C 84 55.470 55.470 56.991 -1.521 19286 832 1 3 . 1 1 84 84 PHE H H 84 8.360 8.360 8.557 -0.197 19286 833 1 3 . 1 1 85 85 ALA N N 85 123.760 123.760 123.245 0.515 19286 834 1 3 . 1 1 85 85 ALA HA H 85 5.540 5.540 4.668 0.872 19286 835 1 3 . 1 1 85 85 ALA CA C 85 50.940 50.940 52.016 -1.076 19286 836 1 3 . 1 1 85 85 ALA H H 85 8.570 8.570 7.059 1.511 19286 837 1 3 . 1 1 86 86 THR N N 86 114.260 114.260 116.256 -1.996 19286 838 1 3 . 1 1 86 86 THR HA H 86 4.290 4.290 4.271 0.019 19286 839 1 3 . 1 1 86 86 THR CA C 86 56.720 56.720 61.584 -4.864 19286 840 1 3 . 1 1 86 86 THR CB C 86 69.610 69.610 69.966 -0.356 19286 841 1 3 . 1 1 86 86 THR H H 86 8.640 8.640 7.981 0.659 19286 842 1 3 . 1 1 87 87 GLY N N 87 112.830 112.830 117.168 -4.338 19286 843 1 3 . 1 1 87 87 GLY H H 87 8.590 8.590 9.168 -0.578 19286 844 1 3 . 1 1 89 89 GLY N N 89 111.750 111.750 110.856 0.894 19286 845 1 3 . 1 1 89 89 GLY H H 89 8.300 8.300 7.306 0.994 19286 846 1 3 . 1 1 90 90 SER CA C 90 57.970 57.970 58.998 -1.028 19286 847 1 3 . 1 1 90 90 SER H H 90 4.990 4.990 8.033 -3.043 19286 848 1 3 . 1 1 91 91 LYS N N 91 122.950 122.950 122.156 0.794 19286 849 1 3 . 1 1 91 91 LYS H H 91 8.180 8.180 8.570 -0.390 19286 850 1 3 . 1 1 92 92 GLY N N 92 109.390 109.390 106.315 3.075 19286 851 1 3 . 1 1 92 92 GLY H H 92 8.320 8.320 8.408 -0.088 19286 852 1 3 . 1 1 93 93 LEU N N 93 121.760 121.760 120.757 1.003 19286 853 1 3 . 1 1 93 93 LEU CB C 93 42.970 42.970 42.875 0.095 19286 854 1 3 . 1 1 93 93 LEU H H 93 7.910 7.910 7.926 -0.016 19286 855 1 3 . 1 1 94 94 ASP N N 94 122.710 122.710 122.937 -0.227 19286 856 1 3 . 1 1 94 94 ASP H H 94 7.650 7.650 8.368 -0.718 19286 857 1 3 . 1 1 95 95 THR N N 95 117.650 117.650 113.111 4.539 19286 858 1 3 . 1 1 95 95 THR H H 95 8.210 8.210 8.037 0.173 19286 859 1 3 . 1 1 96 96 ARG N N 96 122.360 122.360 121.637 0.723 19286 860 1 3 . 1 1 96 96 ARG H H 96 8.700 8.700 8.585 0.115 19286 861 1 3 . 1 1 97 97 TYR N N 97 117.080 117.080 117.223 -0.143 19286 862 1 3 . 1 1 97 97 TYR CB C 97 39.220 39.220 38.568 0.652 19286 863 1 3 . 1 1 97 97 TYR H H 97 8.000 8.000 8.149 -0.149 19286 864 1 3 . 1 1 98 98 SER N N 98 114.730 114.730 110.040 4.690 19286 865 1 3 . 1 1 98 98 SER H H 98 7.580 7.580 8.379 -0.799 19286 866 1 3 . 1 1 99 99 ASN N N 99 117.230 117.230 117.563 -0.333 19286 867 1 3 . 1 1 99 99 ASN H H 99 8.600 8.600 8.682 -0.082 19286 868 1 3 . 1 1 100 100 ILE N N 100 124.250 124.250 116.094 8.156 19286 869 1 3 . 1 1 100 100 ILE H H 100 7.520 7.520 8.104 -0.584 19286 870 1 3 . 1 1 102 102 LEU N N 102 121.060 121.060 121.210 -0.150 19286 871 1 3 . 1 1 102 102 LEU H H 102 7.870 7.870 7.617 0.253 19286 872 1 3 . 1 1 103 103 LEU N N 103 126.970 126.970 118.557 8.413 19286 873 1 3 . 1 1 103 103 LEU HA H 103 4.620 4.620 4.660 -0.040 19286 874 1 3 . 1 1 103 103 LEU CA C 103 54.690 54.690 54.663 0.027 19286 875 1 3 . 1 1 103 103 LEU H H 103 9.080 9.080 8.252 0.828 19286 876 1 3 . 1 1 104 104 THR N N 104 118.430 118.430 115.385 3.045 19286 877 1 3 . 1 1 104 104 THR HA H 104 4.760 4.760 4.404 0.356 19286 878 1 3 . 1 1 104 104 THR CA C 104 63.440 63.440 59.522 3.918 19286 879 1 3 . 1 1 104 104 THR H H 104 8.430 8.430 8.034 0.396 19286 880 1 3 . 1 1 105 105 LYS N N 105 122.030 122.030 123.326 -1.296 19286 881 1 3 . 1 1 105 105 LYS HA H 105 4.290 4.290 4.256 0.034 19286 882 1 3 . 1 1 105 105 LYS CA C 105 54.690 54.690 57.305 -2.615 19286 883 1 3 . 1 1 105 105 LYS H H 105 8.170 8.170 8.372 -0.202 19286 884 1 3 . 1 1 107 107 PHE N N 107 118.490 118.490 117.678 0.812 19286 885 1 3 . 1 1 107 107 PHE H H 107 7.470 7.470 8.115 -0.645 19286 886 1 3 . 1 1 109 109 ASP N N 109 124.810 124.810 116.469 8.341 19286 887 1 3 . 1 1 109 109 ASP HA H 109 4.710 4.710 4.954 -0.244 19286 888 1 3 . 1 1 109 109 ASP H H 109 9.130 9.130 8.370 0.760 19286 889 1 3 . 1 1 110 110 SER HA H 110 4.270 4.270 4.293 -0.023 19286 890 1 3 . 1 1 110 110 SER CA C 110 59.690 59.690 60.381 -0.691 19286 891 1 3 . 1 1 111 111 GLU N N 111 123.780 123.780 121.619 2.161 19286 892 1 3 . 1 1 111 111 GLU HA H 111 4.060 4.060 3.941 0.119 19286 893 1 3 . 1 1 111 111 GLU CA C 111 58.440 58.440 59.366 -0.926 19286 894 1 3 . 1 1 111 111 GLU H H 111 7.410 7.410 8.520 -1.110 19286 895 1 3 . 1 1 112 112 LEU N N 112 120.180 120.180 119.111 1.069 19286 896 1 3 . 1 1 112 112 LEU HA H 112 3.900 3.900 4.066 -0.166 19286 897 1 3 . 1 1 112 112 LEU CA C 112 58.440 58.440 58.419 0.021 19286 898 1 3 . 1 1 112 112 LEU H H 112 7.670 7.670 7.664 0.006 19286 899 1 3 . 1 1 113 113 GLU N N 113 118.380 118.380 119.525 -1.145 19286 900 1 3 . 1 1 113 113 GLU HA H 113 3.730 3.730 3.944 -0.214 19286 901 1 3 . 1 1 113 113 GLU CA C 113 60.940 60.940 59.387 1.553 19286 902 1 3 . 1 1 113 113 GLU H H 113 8.530 8.530 8.490 0.040 19286 903 1 3 . 1 1 114 114 ALA N N 114 117.790 117.790 122.167 -4.377 19286 904 1 3 . 1 1 114 114 ALA HA H 114 4.140 4.140 4.119 0.021 19286 905 1 3 . 1 1 114 114 ALA CA C 114 55.540 55.540 55.050 0.490 19286 906 1 3 . 1 1 114 114 ALA CB C 114 18.440 18.440 18.850 -0.410 19286 907 1 3 . 1 1 114 114 ALA H H 114 7.480 7.480 8.359 -0.879 19286 908 1 3 . 1 1 115 115 VAL N N 115 116.000 116.000 114.857 1.143 19286 909 1 3 . 1 1 115 115 VAL HA H 115 4.030 4.030 4.140 -0.110 19286 910 1 3 . 1 1 115 115 VAL CA C 115 65.940 65.940 63.313 2.627 19286 911 1 3 . 1 1 115 115 VAL H H 115 7.540 7.540 7.616 -0.076 19286 912 1 3 . 1 1 116 116 LEU HA H 116 4.280 4.280 4.336 -0.056 19286 913 1 3 . 1 1 116 116 LEU CA C 116 57.570 57.570 56.763 0.807 19286 914 1 3 . 1 1 117 117 VAL N N 117 119.140 119.140 117.749 1.391 19286 915 1 3 . 1 1 117 117 VAL H H 117 8.200 8.200 7.214 0.986 19286 916 1 3 . 1 1 120 120 SER N N 120 115.730 115.730 116.435 -0.705 19286 917 1 3 . 1 1 120 120 SER H H 120 7.780 7.780 7.603 0.177 19286 918 1 3 . 1 1 121 121 LYS N N 121 120.870 120.870 119.709 1.161 19286 919 1 3 . 1 1 121 121 LYS H H 121 7.540 7.540 8.450 -0.910 19286 920 1 3 . 1 1 122 122 GLU N N 122 120.160 120.160 116.893 3.267 19286 921 1 3 . 1 1 122 122 GLU H H 122 8.140 8.140 8.357 -0.217 19286 922 1 4 . 1 1 4 4 MET N N 4 121.520 121.520 123.666 -2.146 19286 923 1 4 . 1 1 4 4 MET H H 4 8.450 8.450 8.356 0.094 19286 924 1 4 . 1 1 5 5 THR N N 5 115.270 115.270 112.997 2.273 19286 925 1 4 . 1 1 5 5 THR H H 5 8.090 8.090 7.977 0.113 19286 926 1 4 . 1 1 6 6 GLU N N 6 123.580 123.580 121.681 1.899 19286 927 1 4 . 1 1 6 6 GLU H H 6 8.430 8.430 8.734 -0.304 19286 928 1 4 . 1 1 7 7 ARG N N 7 120.850 120.850 118.842 2.008 19286 929 1 4 . 1 1 7 7 ARG H H 7 8.030 8.030 8.318 -0.288 19286 930 1 4 . 1 1 8 8 ARG N N 8 125.410 125.410 118.948 6.462 19286 931 1 4 . 1 1 8 8 ARG HA H 8 4.370 4.370 4.607 -0.237 19286 932 1 4 . 1 1 8 8 ARG H H 8 8.310 8.310 8.035 0.275 19286 933 1 4 . 1 1 9 9 LEU N N 9 130.330 130.330 121.368 8.962 19286 934 1 4 . 1 1 9 9 LEU HA H 9 4.610 4.610 5.087 -0.477 19286 935 1 4 . 1 1 9 9 LEU H H 9 11.100 11.100 7.745 3.355 19286 936 1 4 . 1 1 10 10 ARG N N 10 121.420 121.420 120.558 0.862 19286 937 1 4 . 1 1 10 10 ARG HA H 10 5.010 5.010 4.390 0.620 19286 938 1 4 . 1 1 10 10 ARG CA C 10 55.940 55.940 54.095 1.845 19286 939 1 4 . 1 1 10 10 ARG H H 10 9.620 9.620 7.728 1.892 19286 940 1 4 . 1 1 11 11 VAL N N 11 125.110 125.110 121.466 3.644 19286 941 1 4 . 1 1 11 11 VAL HA H 11 4.970 4.970 4.522 0.448 19286 942 1 4 . 1 1 11 11 VAL H H 11 9.210 9.210 8.115 1.095 19286 943 1 4 . 1 1 12 12 LEU N N 12 130.050 130.050 130.022 0.028 19286 944 1 4 . 1 1 12 12 LEU HA H 12 4.780 4.780 4.811 -0.031 19286 945 1 4 . 1 1 12 12 LEU H H 12 8.260 8.260 8.726 -0.466 19286 946 1 4 . 1 1 13 13 VAL N N 13 128.060 128.060 125.469 2.591 19286 947 1 4 . 1 1 13 13 VAL HA H 13 4.610 4.610 4.425 0.185 19286 948 1 4 . 1 1 13 13 VAL H H 13 8.330 8.330 8.140 0.190 19286 949 1 4 . 1 1 14 14 VAL N N 14 128.470 128.470 119.127 9.343 19286 950 1 4 . 1 1 14 14 VAL HA H 14 4.700 4.700 4.873 -0.173 19286 951 1 4 . 1 1 14 14 VAL H H 14 8.840 8.840 8.894 -0.054 19286 952 1 4 . 1 1 15 15 GLU N N 15 124.840 124.840 124.245 0.595 19286 953 1 4 . 1 1 15 15 GLU HA H 15 4.620 4.620 4.705 -0.085 19286 954 1 4 . 1 1 15 15 GLU H H 15 7.950 7.950 8.308 -0.358 19286 955 1 4 . 1 1 16 16 ASP N N 16 125.840 125.840 119.171 6.669 19286 956 1 4 . 1 1 16 16 ASP HA H 16 4.540 4.540 4.404 0.136 19286 957 1 4 . 1 1 16 16 ASP H H 16 9.360 9.360 8.717 0.643 19286 958 1 4 . 1 1 17 17 GLU HA H 17 4.290 4.290 4.463 -0.173 19286 959 1 4 . 1 1 17 17 GLU CA C 17 55.540 55.540 55.005 0.535 19286 960 1 4 . 1 1 18 18 SER N N 18 124.990 124.990 115.208 9.782 19286 961 1 4 . 1 1 18 18 SER HA H 18 4.610 4.610 4.485 0.125 19286 962 1 4 . 1 1 18 18 SER H H 18 8.820 8.820 8.746 0.074 19286 963 1 4 . 1 1 19 19 MET N N 19 119.940 119.940 120.203 -0.263 19286 964 1 4 . 1 1 19 19 MET H H 19 9.030 9.030 8.221 0.809 19286 965 1 4 . 1 1 20 20 ILE N N 20 118.700 118.700 115.787 2.913 19286 966 1 4 . 1 1 20 20 ILE H H 20 7.200 7.200 7.505 -0.305 19286 967 1 4 . 1 1 21 21 ALA N N 21 123.500 123.500 125.204 -1.704 19286 968 1 4 . 1 1 21 21 ALA CB C 21 18.860 18.860 18.839 0.021 19286 969 1 4 . 1 1 21 21 ALA H H 21 8.370 8.370 7.972 0.398 19286 970 1 4 . 1 1 22 22 MET N N 22 115.790 115.790 118.486 -2.696 19286 971 1 4 . 1 1 22 22 MET HA H 22 4.160 4.160 4.165 -0.005 19286 972 1 4 . 1 1 22 22 MET CA C 22 58.440 58.440 58.750 -0.310 19286 973 1 4 . 1 1 22 22 MET H H 22 8.090 8.090 8.273 -0.183 19286 974 1 4 . 1 1 23 23 LEU N N 23 120.400 120.400 120.068 0.332 19286 975 1 4 . 1 1 23 23 LEU H H 23 7.490 7.490 7.728 -0.238 19286 976 1 4 . 1 1 24 24 ILE N N 24 120.840 120.840 120.770 0.070 19286 977 1 4 . 1 1 24 24 ILE HA H 24 3.520 3.520 3.915 -0.395 19286 978 1 4 . 1 1 24 24 ILE CA C 24 67.190 67.190 63.914 3.276 19286 979 1 4 . 1 1 24 24 ILE CB C 24 38.440 38.440 39.022 -0.582 19286 980 1 4 . 1 1 24 24 ILE H H 24 8.630 8.630 8.950 -0.320 19286 981 1 4 . 1 1 25 25 GLU N N 25 119.380 119.380 119.959 -0.579 19286 982 1 4 . 1 1 25 25 GLU H H 25 8.550 8.550 7.870 0.680 19286 983 1 4 . 1 1 26 26 ASP N N 26 119.700 119.700 117.245 2.455 19286 984 1 4 . 1 1 26 26 ASP H H 26 8.890 8.890 7.995 0.895 19286 985 1 4 . 1 1 27 27 THR N N 27 117.460 117.460 117.103 0.357 19286 986 1 4 . 1 1 27 27 THR HA H 27 4.270 4.270 4.069 0.201 19286 987 1 4 . 1 1 27 27 THR CA C 27 68.890 68.890 66.856 2.034 19286 988 1 4 . 1 1 27 27 THR H H 27 8.100 8.100 7.325 0.775 19286 989 1 4 . 1 1 28 28 LEU N N 28 120.440 120.440 123.652 -3.212 19286 990 1 4 . 1 1 28 28 LEU HA H 28 3.920 3.920 4.143 -0.223 19286 991 1 4 . 1 1 28 28 LEU CA C 28 58.440 58.440 58.753 -0.313 19286 992 1 4 . 1 1 28 28 LEU H H 28 8.610 8.610 8.972 -0.362 19286 993 1 4 . 1 1 29 29 CYS N N 29 116.920 116.920 117.186 -0.266 19286 994 1 4 . 1 1 29 29 CYS H H 29 8.180 8.180 8.004 0.176 19286 995 1 4 . 1 1 30 30 GLU N N 30 122.820 122.820 119.776 3.044 19286 996 1 4 . 1 1 30 30 GLU HA H 30 4.160 4.160 4.215 -0.055 19286 997 1 4 . 1 1 30 30 GLU CA C 30 59.690 59.690 58.138 1.552 19286 998 1 4 . 1 1 30 30 GLU H H 30 8.060 8.060 7.758 0.302 19286 999 1 4 . 1 1 31 31 LEU N N 31 116.980 116.980 118.183 -1.203 19286 1000 1 4 . 1 1 31 31 LEU H H 31 7.660 7.660 7.678 -0.018 19286 1001 1 4 . 1 1 32 32 GLY N N 32 105.410 105.410 105.706 -0.296 19286 1002 1 4 . 1 1 32 32 GLY H H 32 7.600 7.600 8.341 -0.741 19286 1003 1 4 . 1 1 33 33 HIS N N 33 119.380 119.380 118.336 1.044 19286 1004 1 4 . 1 1 33 33 HIS HA H 33 5.130 5.130 4.335 0.795 19286 1005 1 4 . 1 1 33 33 HIS CA C 33 56.350 56.350 57.935 -1.585 19286 1006 1 4 . 1 1 33 33 HIS CB C 33 33.470 33.470 30.101 3.369 19286 1007 1 4 . 1 1 33 33 HIS H H 33 7.780 7.780 7.653 0.127 19286 1008 1 4 . 1 1 34 34 GLU N N 34 117.930 117.930 120.370 -2.440 19286 1009 1 4 . 1 1 34 34 GLU H H 34 8.870 8.870 8.221 0.649 19286 1010 1 4 . 1 1 35 35 VAL N N 35 125.860 125.860 115.342 10.518 19286 1011 1 4 . 1 1 35 35 VAL HA H 35 4.710 4.710 4.429 0.281 19286 1012 1 4 . 1 1 35 35 VAL H H 35 8.870 8.870 7.788 1.082 19286 1013 1 4 . 1 1 36 36 ALA N N 36 132.950 132.950 128.921 4.029 19286 1014 1 4 . 1 1 36 36 ALA HA H 36 4.200 4.200 5.091 -0.891 19286 1015 1 4 . 1 1 36 36 ALA CB C 36 23.860 23.860 21.365 2.495 19286 1016 1 4 . 1 1 36 36 ALA H H 36 9.110 9.110 8.314 0.796 19286 1017 1 4 . 1 1 37 37 ALA N N 37 115.420 115.420 122.241 -6.821 19286 1018 1 4 . 1 1 37 37 ALA H H 37 7.480 7.480 8.244 -0.764 19286 1019 1 4 . 1 1 38 38 THR N N 38 112.980 112.980 115.150 -2.170 19286 1020 1 4 . 1 1 38 38 THR H H 38 8.170 8.170 8.144 0.026 19286 1021 1 4 . 1 1 39 39 ALA CB C 39 22.610 22.610 18.866 3.744 19286 1022 1 4 . 1 1 40 40 SER N N 40 113.630 113.630 116.633 -3.003 19286 1023 1 4 . 1 1 40 40 SER HA H 40 4.450 4.450 4.441 0.009 19286 1024 1 4 . 1 1 40 40 SER CA C 40 57.480 57.480 58.781 -1.301 19286 1025 1 4 . 1 1 40 40 SER H H 40 8.980 8.980 8.651 0.329 19286 1026 1 4 . 1 1 41 41 ARG N N 41 117.890 117.890 125.346 -7.456 19286 1027 1 4 . 1 1 41 41 ARG CB C 41 34.110 34.110 32.448 1.662 19286 1028 1 4 . 1 1 41 41 ARG H H 41 7.340 7.340 8.904 -1.564 19286 1029 1 4 . 1 1 42 42 MET N N 42 123.460 123.460 124.726 -1.266 19286 1030 1 4 . 1 1 42 42 MET HA H 42 4.040 4.040 3.547 0.493 19286 1031 1 4 . 1 1 42 42 MET H H 42 9.340 9.340 8.633 0.707 19286 1032 1 4 . 1 1 43 43 GLN N N 43 117.010 117.010 119.530 -2.520 19286 1033 1 4 . 1 1 43 43 GLN H H 43 8.940 8.940 8.431 0.509 19286 1034 1 4 . 1 1 44 44 GLU N N 44 117.430 117.430 119.195 -1.765 19286 1035 1 4 . 1 1 44 44 GLU CB C 44 26.690 26.690 28.966 -2.276 19286 1036 1 4 . 1 1 44 44 GLU H H 44 7.160 7.160 8.512 -1.352 19286 1037 1 4 . 1 1 45 45 ALA N N 45 121.060 121.060 122.387 -1.327 19286 1038 1 4 . 1 1 45 45 ALA HA H 45 3.680 3.680 3.975 -0.295 19286 1039 1 4 . 1 1 45 45 ALA CA C 45 55.940 55.940 55.647 0.293 19286 1040 1 4 . 1 1 45 45 ALA CB C 45 20.940 20.940 18.478 2.462 19286 1041 1 4 . 1 1 45 45 ALA H H 45 8.220 8.220 8.143 0.077 19286 1042 1 4 . 1 1 46 46 LEU N N 46 116.750 116.750 116.910 -0.160 19286 1043 1 4 . 1 1 46 46 LEU H H 46 8.350 8.350 7.424 0.926 19286 1044 1 4 . 1 1 47 47 ASP N N 47 117.760 117.760 119.429 -1.669 19286 1045 1 4 . 1 1 47 47 ASP H H 47 7.400 7.400 8.211 -0.811 19286 1046 1 4 . 1 1 48 48 ILE N N 48 118.660 118.660 116.026 2.634 19286 1047 1 4 . 1 1 48 48 ILE H H 48 8.220 8.220 7.733 0.487 19286 1048 1 4 . 1 1 49 49 ALA N N 49 123.150 123.150 123.480 -0.330 19286 1049 1 4 . 1 1 49 49 ALA HA H 49 4.040 4.040 4.100 -0.060 19286 1050 1 4 . 1 1 49 49 ALA CA C 49 55.940 55.940 53.553 2.386 19286 1051 1 4 . 1 1 49 49 ALA CB C 49 18.120 18.120 19.199 -1.079 19286 1052 1 4 . 1 1 49 49 ALA H H 49 8.610 8.610 7.174 1.436 19286 1053 1 4 . 1 1 50 50 ARG N N 50 113.110 113.110 118.843 -5.733 19286 1054 1 4 . 1 1 50 50 ARG CB C 50 26.570 26.570 29.949 -3.379 19286 1055 1 4 . 1 1 50 50 ARG H H 50 7.440 7.440 7.729 -0.289 19286 1056 1 4 . 1 1 51 51 LYS N N 51 114.910 114.910 117.075 -2.165 19286 1057 1 4 . 1 1 51 51 LYS H H 51 7.550 7.550 7.498 0.052 19286 1058 1 4 . 1 1 52 52 GLY N N 52 108.150 108.150 106.937 1.213 19286 1059 1 4 . 1 1 52 52 GLY H H 52 8.920 8.920 8.334 0.586 19286 1060 1 4 . 1 1 53 53 GLN N N 53 120.450 120.450 113.622 6.828 19286 1061 1 4 . 1 1 53 53 GLN H H 53 8.320 8.320 7.996 0.324 19286 1062 1 4 . 1 1 54 54 PHE N N 54 119.090 119.090 118.646 0.444 19286 1063 1 4 . 1 1 54 54 PHE H H 54 7.180 7.180 7.775 -0.595 19286 1064 1 4 . 1 1 55 55 ASP N N 55 117.290 117.290 118.406 -1.116 19286 1065 1 4 . 1 1 55 55 ASP H H 55 9.330 9.330 8.065 1.265 19286 1066 1 4 . 1 1 56 56 ILE N N 56 109.550 109.550 119.769 -10.219 19286 1067 1 4 . 1 1 56 56 ILE HA H 56 5.220 5.220 4.780 0.440 19286 1068 1 4 . 1 1 56 56 ILE CA C 56 59.690 59.690 60.408 -0.718 19286 1069 1 4 . 1 1 56 56 ILE H H 56 7.690 7.690 8.075 -0.385 19286 1070 1 4 . 1 1 57 57 ALA N N 57 122.390 122.390 127.481 -5.091 19286 1071 1 4 . 1 1 57 57 ALA HA H 57 5.480 5.480 5.185 0.295 19286 1072 1 4 . 1 1 57 57 ALA CA C 57 50.940 50.940 51.314 -0.374 19286 1073 1 4 . 1 1 57 57 ALA H H 57 8.000 8.000 8.451 -0.451 19286 1074 1 4 . 1 1 59 59 ILE N N 59 122.950 122.950 129.834 -6.884 19286 1075 1 4 . 1 1 59 59 ILE HA H 59 4.990 4.990 4.404 0.586 19286 1076 1 4 . 1 1 59 59 ILE CA C 59 57.190 57.190 60.724 -3.534 19286 1077 1 4 . 1 1 59 59 ILE H H 59 8.930 8.930 8.509 0.421 19286 1078 1 4 . 1 1 60 60 ASP N N 60 127.320 127.320 123.608 3.712 19286 1079 1 4 . 1 1 60 60 ASP HA H 60 5.100 5.100 4.508 0.592 19286 1080 1 4 . 1 1 60 60 ASP CA C 60 55.100 55.100 55.545 -0.445 19286 1081 1 4 . 1 1 60 60 ASP H H 60 8.360 8.360 8.014 0.346 19286 1082 1 4 . 1 1 61 61 VAL N N 61 121.040 121.040 118.780 2.260 19286 1083 1 4 . 1 1 61 61 VAL HA H 61 3.700 3.700 3.715 -0.015 19286 1084 1 4 . 1 1 61 61 VAL CA C 61 64.630 64.630 63.870 0.760 19286 1085 1 4 . 1 1 61 61 VAL CB C 61 31.590 31.590 31.753 -0.163 19286 1086 1 4 . 1 1 61 61 VAL H H 61 8.540 8.540 8.617 -0.077 19286 1087 1 4 . 1 1 63 63 LEU N N 63 121.830 121.830 122.411 -0.581 19286 1088 1 4 . 1 1 63 63 LEU HA H 63 4.400 4.400 4.356 0.044 19286 1089 1 4 . 1 1 63 63 LEU CA C 63 52.810 52.810 55.336 -2.526 19286 1090 1 4 . 1 1 63 63 LEU H H 63 8.960 8.960 8.133 0.827 19286 1091 1 4 . 1 1 64 64 ASP N N 64 128.450 128.450 120.050 8.400 19286 1092 1 4 . 1 1 64 64 ASP HA H 64 4.290 4.290 4.369 -0.079 19286 1093 1 4 . 1 1 64 64 ASP CA C 64 55.940 55.940 55.235 0.705 19286 1094 1 4 . 1 1 64 64 ASP CB C 64 40.390 40.390 40.364 0.026 19286 1095 1 4 . 1 1 64 64 ASP H H 64 9.840 9.840 8.814 1.026 19286 1096 1 4 . 1 1 65 65 GLY N N 65 133.580 133.580 103.797 29.783 19286 1097 1 4 . 1 1 65 65 GLY H H 65 8.400 8.400 8.217 0.183 19286 1098 1 4 . 1 1 66 66 GLU N N 66 121.110 121.110 120.450 0.660 19286 1099 1 4 . 1 1 66 66 GLU HA H 66 4.920 4.920 4.598 0.322 19286 1100 1 4 . 1 1 66 66 GLU CA C 66 53.100 53.100 56.692 -3.592 19286 1101 1 4 . 1 1 66 66 GLU H H 66 7.790 7.790 7.867 -0.077 19286 1102 1 4 . 1 1 69 69 TYR N N 69 120.020 120.020 117.472 2.548 19286 1103 1 4 . 1 1 69 69 TYR HA H 69 4.410 4.410 4.141 0.269 19286 1104 1 4 . 1 1 69 69 TYR CA C 69 60.970 60.970 57.834 3.136 19286 1105 1 4 . 1 1 69 69 TYR H H 69 6.480 6.480 7.645 -1.165 19286 1106 1 4 . 1 1 71 71 VAL N N 71 115.000 115.000 121.477 -6.477 19286 1107 1 4 . 1 1 71 71 VAL H H 71 7.640 7.640 7.708 -0.068 19286 1108 1 4 . 1 1 72 72 ALA N N 72 122.000 122.000 123.088 -1.088 19286 1109 1 4 . 1 1 72 72 ALA CB C 72 20.110 20.110 17.873 2.237 19286 1110 1 4 . 1 1 72 72 ALA H H 72 6.890 6.890 7.604 -0.714 19286 1111 1 4 . 1 1 73 73 ASP N N 73 116.020 116.020 118.708 -2.688 19286 1112 1 4 . 1 1 73 73 ASP H H 73 8.610 8.610 7.554 1.056 19286 1113 1 4 . 1 1 74 74 ILE N N 74 120.950 120.950 120.315 0.635 19286 1114 1 4 . 1 1 74 74 ILE H H 74 7.060 7.060 7.428 -0.368 19286 1115 1 4 . 1 1 75 75 LEU N N 75 119.760 119.760 119.922 -0.162 19286 1116 1 4 . 1 1 75 75 LEU H H 75 7.460 7.460 8.377 -0.917 19286 1117 1 4 . 1 1 76 76 ALA N N 76 121.160 121.160 121.150 0.010 19286 1118 1 4 . 1 1 76 76 ALA H H 76 8.910 8.910 8.143 0.767 19286 1119 1 4 . 1 1 77 77 GLU N N 77 120.340 120.340 119.502 0.838 19286 1120 1 4 . 1 1 77 77 GLU H H 77 7.800 7.800 8.094 -0.294 19286 1121 1 4 . 1 1 78 78 ARG N N 78 116.210 116.210 115.230 0.980 19286 1122 1 4 . 1 1 78 78 ARG H H 78 7.740 7.740 7.447 0.293 19286 1123 1 4 . 1 1 79 79 ASN N N 79 116.230 116.230 120.093 -3.863 19286 1124 1 4 . 1 1 79 79 ASN H H 79 8.030 8.030 7.622 0.408 19286 1125 1 4 . 1 1 80 80 VAL N N 80 121.200 121.200 117.697 3.503 19286 1126 1 4 . 1 1 80 80 VAL H H 80 8.200 8.200 7.894 0.306 19286 1127 1 4 . 1 1 82 82 PHE N N 82 113.440 113.440 118.377 -4.937 19286 1128 1 4 . 1 1 82 82 PHE HA H 82 5.690 5.690 5.132 0.558 19286 1129 1 4 . 1 1 82 82 PHE CA C 82 55.480 55.480 56.051 -0.571 19286 1130 1 4 . 1 1 82 82 PHE CB C 82 43.610 43.610 40.278 3.332 19286 1131 1 4 . 1 1 82 82 PHE H H 82 7.310 7.310 7.626 -0.316 19286 1132 1 4 . 1 1 83 83 ILE N N 83 115.230 115.230 117.437 -2.207 19286 1133 1 4 . 1 1 83 83 ILE HA H 83 4.260 4.260 3.631 0.629 19286 1134 1 4 . 1 1 83 83 ILE CA C 83 59.690 59.690 59.900 -0.210 19286 1135 1 4 . 1 1 83 83 ILE H H 83 7.880 7.880 8.066 -0.186 19286 1136 1 4 . 1 1 84 84 PHE N N 84 122.680 122.680 123.409 -0.729 19286 1137 1 4 . 1 1 84 84 PHE HA H 84 6.190 6.190 4.796 1.394 19286 1138 1 4 . 1 1 84 84 PHE CA C 84 55.470 55.470 56.365 -0.895 19286 1139 1 4 . 1 1 84 84 PHE H H 84 8.360 8.360 8.286 0.074 19286 1140 1 4 . 1 1 85 85 ALA N N 85 123.760 123.760 127.021 -3.261 19286 1141 1 4 . 1 1 85 85 ALA HA H 85 5.540 5.540 4.986 0.554 19286 1142 1 4 . 1 1 85 85 ALA CA C 85 50.940 50.940 51.667 -0.727 19286 1143 1 4 . 1 1 85 85 ALA H H 85 8.570 8.570 8.413 0.157 19286 1144 1 4 . 1 1 86 86 THR N N 86 114.260 114.260 115.868 -1.608 19286 1145 1 4 . 1 1 86 86 THR HA H 86 4.290 4.290 5.071 -0.781 19286 1146 1 4 . 1 1 86 86 THR CA C 86 56.720 56.720 60.248 -3.528 19286 1147 1 4 . 1 1 86 86 THR CB C 86 69.610 69.610 69.928 -0.318 19286 1148 1 4 . 1 1 86 86 THR H H 86 8.640 8.640 8.008 0.632 19286 1149 1 4 . 1 1 87 87 GLY N N 87 112.830 112.830 108.874 3.956 19286 1150 1 4 . 1 1 87 87 GLY H H 87 8.590 8.590 8.108 0.482 19286 1151 1 4 . 1 1 89 89 GLY N N 89 111.750 111.750 110.135 1.615 19286 1152 1 4 . 1 1 89 89 GLY H H 89 8.300 8.300 8.139 0.161 19286 1153 1 4 . 1 1 90 90 SER CA C 90 57.970 57.970 59.068 -1.098 19286 1154 1 4 . 1 1 90 90 SER H H 90 4.990 4.990 7.692 -2.702 19286 1155 1 4 . 1 1 91 91 LYS N N 91 122.950 122.950 120.109 2.841 19286 1156 1 4 . 1 1 91 91 LYS H H 91 8.180 8.180 8.338 -0.158 19286 1157 1 4 . 1 1 92 92 GLY N N 92 109.390 109.390 109.704 -0.314 19286 1158 1 4 . 1 1 92 92 GLY H H 92 8.320 8.320 8.284 0.036 19286 1159 1 4 . 1 1 93 93 LEU N N 93 121.760 121.760 123.193 -1.433 19286 1160 1 4 . 1 1 93 93 LEU CB C 93 42.970 42.970 43.224 -0.254 19286 1161 1 4 . 1 1 93 93 LEU H H 93 7.910 7.910 7.796 0.114 19286 1162 1 4 . 1 1 94 94 ASP N N 94 122.710 122.710 122.014 0.696 19286 1163 1 4 . 1 1 94 94 ASP H H 94 7.650 7.650 8.263 -0.613 19286 1164 1 4 . 1 1 95 95 THR N N 95 117.650 117.650 112.416 5.234 19286 1165 1 4 . 1 1 95 95 THR H H 95 8.210 8.210 8.141 0.069 19286 1166 1 4 . 1 1 96 96 ARG N N 96 122.360 122.360 121.106 1.254 19286 1167 1 4 . 1 1 96 96 ARG H H 96 8.700 8.700 9.131 -0.431 19286 1168 1 4 . 1 1 97 97 TYR N N 97 117.080 117.080 117.709 -0.629 19286 1169 1 4 . 1 1 97 97 TYR CB C 97 39.220 39.220 39.330 -0.110 19286 1170 1 4 . 1 1 97 97 TYR H H 97 8.000 8.000 7.744 0.256 19286 1171 1 4 . 1 1 98 98 SER N N 98 114.730 114.730 111.752 2.978 19286 1172 1 4 . 1 1 98 98 SER H H 98 7.580 7.580 7.860 -0.280 19286 1173 1 4 . 1 1 99 99 ASN N N 99 117.230 117.230 114.094 3.136 19286 1174 1 4 . 1 1 99 99 ASN H H 99 8.600 8.600 8.548 0.052 19286 1175 1 4 . 1 1 100 100 ILE N N 100 124.250 124.250 112.518 11.732 19286 1176 1 4 . 1 1 100 100 ILE H H 100 7.520 7.520 7.899 -0.379 19286 1177 1 4 . 1 1 102 102 LEU N N 102 121.060 121.060 120.103 0.957 19286 1178 1 4 . 1 1 102 102 LEU H H 102 7.870 7.870 7.158 0.712 19286 1179 1 4 . 1 1 103 103 LEU N N 103 126.970 126.970 116.943 10.027 19286 1180 1 4 . 1 1 103 103 LEU HA H 103 4.620 4.620 4.753 -0.133 19286 1181 1 4 . 1 1 103 103 LEU CA C 103 54.690 54.690 54.886 -0.196 19286 1182 1 4 . 1 1 103 103 LEU H H 103 9.080 9.080 7.885 1.195 19286 1183 1 4 . 1 1 104 104 THR N N 104 118.430 118.430 113.071 5.359 19286 1184 1 4 . 1 1 104 104 THR HA H 104 4.760 4.760 4.538 0.222 19286 1185 1 4 . 1 1 104 104 THR CA C 104 63.440 63.440 61.098 2.342 19286 1186 1 4 . 1 1 104 104 THR H H 104 8.430 8.430 7.875 0.555 19286 1187 1 4 . 1 1 105 105 LYS N N 105 122.030 122.030 117.843 4.187 19286 1188 1 4 . 1 1 105 105 LYS HA H 105 4.290 4.290 4.281 0.009 19286 1189 1 4 . 1 1 105 105 LYS CA C 105 54.690 54.690 55.401 -0.711 19286 1190 1 4 . 1 1 105 105 LYS H H 105 8.170 8.170 8.154 0.016 19286 1191 1 4 . 1 1 107 107 PHE N N 107 118.490 118.490 112.058 6.432 19286 1192 1 4 . 1 1 107 107 PHE H H 107 7.470 7.470 7.623 -0.153 19286 1193 1 4 . 1 1 109 109 ASP N N 109 124.810 124.810 114.817 9.993 19286 1194 1 4 . 1 1 109 109 ASP HA H 109 4.710 4.710 4.703 0.007 19286 1195 1 4 . 1 1 109 109 ASP H H 109 9.130 9.130 8.109 1.021 19286 1196 1 4 . 1 1 110 110 SER HA H 110 4.270 4.270 4.354 -0.084 19286 1197 1 4 . 1 1 110 110 SER CA C 110 59.690 59.690 59.917 -0.227 19286 1198 1 4 . 1 1 111 111 GLU N N 111 123.780 123.780 121.933 1.847 19286 1199 1 4 . 1 1 111 111 GLU HA H 111 4.060 4.060 3.924 0.136 19286 1200 1 4 . 1 1 111 111 GLU CA C 111 58.440 58.440 59.811 -1.371 19286 1201 1 4 . 1 1 111 111 GLU H H 111 7.410 7.410 8.544 -1.134 19286 1202 1 4 . 1 1 112 112 LEU N N 112 120.180 120.180 117.892 2.288 19286 1203 1 4 . 1 1 112 112 LEU HA H 112 3.900 3.900 4.089 -0.189 19286 1204 1 4 . 1 1 112 112 LEU CA C 112 58.440 58.440 58.573 -0.133 19286 1205 1 4 . 1 1 112 112 LEU H H 112 7.670 7.670 7.869 -0.199 19286 1206 1 4 . 1 1 113 113 GLU N N 113 118.380 118.380 119.504 -1.124 19286 1207 1 4 . 1 1 113 113 GLU HA H 113 3.730 3.730 3.899 -0.169 19286 1208 1 4 . 1 1 113 113 GLU CA C 113 60.940 60.940 59.265 1.675 19286 1209 1 4 . 1 1 113 113 GLU H H 113 8.530 8.530 7.871 0.659 19286 1210 1 4 . 1 1 114 114 ALA N N 114 117.790 117.790 121.286 -3.496 19286 1211 1 4 . 1 1 114 114 ALA HA H 114 4.140 4.140 4.354 -0.214 19286 1212 1 4 . 1 1 114 114 ALA CA C 114 55.540 55.540 54.739 0.801 19286 1213 1 4 . 1 1 114 114 ALA CB C 114 18.440 18.440 18.883 -0.443 19286 1214 1 4 . 1 1 114 114 ALA H H 114 7.480 7.480 8.030 -0.550 19286 1215 1 4 . 1 1 115 115 VAL N N 115 116.000 116.000 116.086 -0.086 19286 1216 1 4 . 1 1 115 115 VAL HA H 115 4.030 4.030 4.215 -0.185 19286 1217 1 4 . 1 1 115 115 VAL CA C 115 65.940 65.940 64.228 1.712 19286 1218 1 4 . 1 1 115 115 VAL H H 115 7.540 7.540 7.607 -0.067 19286 1219 1 4 . 1 1 116 116 LEU HA H 116 4.280 4.280 4.339 -0.059 19286 1220 1 4 . 1 1 116 116 LEU CA C 116 57.570 57.570 57.034 0.536 19286 1221 1 4 . 1 1 117 117 VAL N N 117 119.140 119.140 116.492 2.648 19286 1222 1 4 . 1 1 117 117 VAL H H 117 8.200 8.200 7.469 0.731 19286 1223 1 4 . 1 1 120 120 SER N N 120 115.730 115.730 115.810 -0.080 19286 1224 1 4 . 1 1 120 120 SER H H 120 7.780 7.780 7.309 0.471 19286 1225 1 4 . 1 1 121 121 LYS N N 121 120.870 120.870 120.524 0.346 19286 1226 1 4 . 1 1 121 121 LYS H H 121 7.540 7.540 8.639 -1.099 19286 1227 1 4 . 1 1 122 122 GLU N N 122 120.160 120.160 120.361 -0.201 19286 1228 1 4 . 1 1 122 122 GLU H H 122 8.140 8.140 8.200 -0.060 19286 1229 1 5 . 1 1 4 4 MET N N 4 121.520 121.520 119.690 1.830 19286 1230 1 5 . 1 1 4 4 MET H H 4 8.450 8.450 8.373 0.077 19286 1231 1 5 . 1 1 5 5 THR N N 5 115.270 115.270 110.560 4.710 19286 1232 1 5 . 1 1 5 5 THR H H 5 8.090 8.090 7.981 0.109 19286 1233 1 5 . 1 1 6 6 GLU N N 6 123.580 123.580 120.792 2.788 19286 1234 1 5 . 1 1 6 6 GLU H H 6 8.430 8.430 8.635 -0.205 19286 1235 1 5 . 1 1 7 7 ARG N N 7 120.850 120.850 121.692 -0.842 19286 1236 1 5 . 1 1 7 7 ARG H H 7 8.030 8.030 8.229 -0.199 19286 1237 1 5 . 1 1 8 8 ARG N N 8 125.410 125.410 117.089 8.321 19286 1238 1 5 . 1 1 8 8 ARG HA H 8 4.370 4.370 4.196 0.174 19286 1239 1 5 . 1 1 8 8 ARG H H 8 8.310 8.310 7.942 0.368 19286 1240 1 5 . 1 1 9 9 LEU N N 9 130.330 130.330 121.968 8.362 19286 1241 1 5 . 1 1 9 9 LEU HA H 9 4.610 4.610 4.605 0.005 19286 1242 1 5 . 1 1 9 9 LEU H H 9 11.100 11.100 7.823 3.277 19286 1243 1 5 . 1 1 10 10 ARG N N 10 121.420 121.420 122.849 -1.429 19286 1244 1 5 . 1 1 10 10 ARG HA H 10 5.010 5.010 4.508 0.502 19286 1245 1 5 . 1 1 10 10 ARG CA C 10 55.940 55.940 52.782 3.158 19286 1246 1 5 . 1 1 10 10 ARG H H 10 9.620 9.620 8.071 1.549 19286 1247 1 5 . 1 1 11 11 VAL N N 11 125.110 125.110 122.717 2.393 19286 1248 1 5 . 1 1 11 11 VAL HA H 11 4.970 4.970 4.152 0.818 19286 1249 1 5 . 1 1 11 11 VAL H H 11 9.210 9.210 8.205 1.005 19286 1250 1 5 . 1 1 12 12 LEU N N 12 130.050 130.050 129.945 0.105 19286 1251 1 5 . 1 1 12 12 LEU HA H 12 4.780 4.780 4.494 0.286 19286 1252 1 5 . 1 1 12 12 LEU H H 12 8.260 8.260 7.780 0.480 19286 1253 1 5 . 1 1 13 13 VAL N N 13 128.060 128.060 125.082 2.978 19286 1254 1 5 . 1 1 13 13 VAL HA H 13 4.610 4.610 4.179 0.431 19286 1255 1 5 . 1 1 13 13 VAL H H 13 8.330 8.330 8.089 0.241 19286 1256 1 5 . 1 1 14 14 VAL N N 14 128.470 128.470 119.849 8.621 19286 1257 1 5 . 1 1 14 14 VAL HA H 14 4.700 4.700 4.710 -0.010 19286 1258 1 5 . 1 1 14 14 VAL H H 14 8.840 8.840 9.046 -0.206 19286 1259 1 5 . 1 1 15 15 GLU N N 15 124.840 124.840 122.936 1.904 19286 1260 1 5 . 1 1 15 15 GLU HA H 15 4.620 4.620 4.662 -0.042 19286 1261 1 5 . 1 1 15 15 GLU H H 15 7.950 7.950 8.440 -0.490 19286 1262 1 5 . 1 1 16 16 ASP N N 16 125.840 125.840 122.443 3.397 19286 1263 1 5 . 1 1 16 16 ASP HA H 16 4.540 4.540 4.221 0.319 19286 1264 1 5 . 1 1 16 16 ASP H H 16 9.360 9.360 8.888 0.472 19286 1265 1 5 . 1 1 17 17 GLU HA H 17 4.290 4.290 4.473 -0.183 19286 1266 1 5 . 1 1 17 17 GLU CA C 17 55.540 55.540 55.734 -0.194 19286 1267 1 5 . 1 1 18 18 SER N N 18 124.990 124.990 116.126 8.864 19286 1268 1 5 . 1 1 18 18 SER HA H 18 4.610 4.610 4.457 0.153 19286 1269 1 5 . 1 1 18 18 SER H H 18 8.820 8.820 8.780 0.040 19286 1270 1 5 . 1 1 19 19 MET N N 19 119.940 119.940 123.203 -3.263 19286 1271 1 5 . 1 1 19 19 MET H H 19 9.030 9.030 8.299 0.731 19286 1272 1 5 . 1 1 20 20 ILE N N 20 118.700 118.700 117.763 0.937 19286 1273 1 5 . 1 1 20 20 ILE H H 20 7.200 7.200 7.757 -0.557 19286 1274 1 5 . 1 1 21 21 ALA N N 21 123.500 123.500 124.392 -0.892 19286 1275 1 5 . 1 1 21 21 ALA CB C 21 18.860 18.860 18.260 0.600 19286 1276 1 5 . 1 1 21 21 ALA H H 21 8.370 8.370 8.178 0.192 19286 1277 1 5 . 1 1 22 22 MET N N 22 115.790 115.790 119.286 -3.496 19286 1278 1 5 . 1 1 22 22 MET HA H 22 4.160 4.160 4.260 -0.100 19286 1279 1 5 . 1 1 22 22 MET CA C 22 58.440 58.440 57.789 0.651 19286 1280 1 5 . 1 1 22 22 MET H H 22 8.090 8.090 7.922 0.168 19286 1281 1 5 . 1 1 23 23 LEU N N 23 120.400 120.400 119.851 0.549 19286 1282 1 5 . 1 1 23 23 LEU H H 23 7.490 7.490 7.728 -0.238 19286 1283 1 5 . 1 1 24 24 ILE N N 24 120.840 120.840 120.199 0.641 19286 1284 1 5 . 1 1 24 24 ILE HA H 24 3.520 3.520 4.089 -0.569 19286 1285 1 5 . 1 1 24 24 ILE CA C 24 67.190 67.190 63.429 3.761 19286 1286 1 5 . 1 1 24 24 ILE CB C 24 38.440 38.440 38.638 -0.198 19286 1287 1 5 . 1 1 24 24 ILE H H 24 8.630 8.630 8.407 0.223 19286 1288 1 5 . 1 1 25 25 GLU N N 25 119.380 119.380 119.416 -0.036 19286 1289 1 5 . 1 1 25 25 GLU H H 25 8.550 8.550 7.941 0.609 19286 1290 1 5 . 1 1 26 26 ASP N N 26 119.700 119.700 117.220 2.480 19286 1291 1 5 . 1 1 26 26 ASP H H 26 8.890 8.890 8.099 0.791 19286 1292 1 5 . 1 1 27 27 THR N N 27 117.460 117.460 115.961 1.499 19286 1293 1 5 . 1 1 27 27 THR HA H 27 4.270 4.270 4.050 0.220 19286 1294 1 5 . 1 1 27 27 THR CA C 27 68.890 68.890 65.619 3.271 19286 1295 1 5 . 1 1 27 27 THR H H 27 8.100 8.100 7.368 0.732 19286 1296 1 5 . 1 1 28 28 LEU N N 28 120.440 120.440 122.303 -1.863 19286 1297 1 5 . 1 1 28 28 LEU HA H 28 3.920 3.920 4.160 -0.240 19286 1298 1 5 . 1 1 28 28 LEU CA C 28 58.440 58.440 57.575 0.865 19286 1299 1 5 . 1 1 28 28 LEU H H 28 8.610 8.610 8.344 0.266 19286 1300 1 5 . 1 1 29 29 CYS N N 29 116.920 116.920 118.049 -1.129 19286 1301 1 5 . 1 1 29 29 CYS H H 29 8.180 8.180 7.943 0.237 19286 1302 1 5 . 1 1 30 30 GLU N N 30 122.820 122.820 120.505 2.315 19286 1303 1 5 . 1 1 30 30 GLU HA H 30 4.160 4.160 4.229 -0.069 19286 1304 1 5 . 1 1 30 30 GLU CA C 30 59.690 59.690 58.192 1.498 19286 1305 1 5 . 1 1 30 30 GLU H H 30 8.060 8.060 7.870 0.190 19286 1306 1 5 . 1 1 31 31 LEU N N 31 116.980 116.980 118.226 -1.246 19286 1307 1 5 . 1 1 31 31 LEU H H 31 7.660 7.660 7.649 0.011 19286 1308 1 5 . 1 1 32 32 GLY N N 32 105.410 105.410 105.585 -0.175 19286 1309 1 5 . 1 1 32 32 GLY H H 32 7.600 7.600 7.971 -0.371 19286 1310 1 5 . 1 1 33 33 HIS N N 33 119.380 119.380 117.479 1.901 19286 1311 1 5 . 1 1 33 33 HIS HA H 33 5.130 5.130 4.284 0.846 19286 1312 1 5 . 1 1 33 33 HIS CA C 33 56.350 56.350 57.292 -0.942 19286 1313 1 5 . 1 1 33 33 HIS CB C 33 33.470 33.470 30.145 3.325 19286 1314 1 5 . 1 1 33 33 HIS H H 33 7.780 7.780 7.526 0.254 19286 1315 1 5 . 1 1 34 34 GLU N N 34 117.930 117.930 122.099 -4.169 19286 1316 1 5 . 1 1 34 34 GLU H H 34 8.870 8.870 8.550 0.320 19286 1317 1 5 . 1 1 35 35 VAL N N 35 125.860 125.860 114.831 11.029 19286 1318 1 5 . 1 1 35 35 VAL HA H 35 4.710 4.710 4.216 0.494 19286 1319 1 5 . 1 1 35 35 VAL H H 35 8.870 8.870 7.836 1.034 19286 1320 1 5 . 1 1 36 36 ALA N N 36 132.950 132.950 129.746 3.204 19286 1321 1 5 . 1 1 36 36 ALA HA H 36 4.200 4.200 4.701 -0.501 19286 1322 1 5 . 1 1 36 36 ALA CB C 36 23.860 23.860 21.123 2.737 19286 1323 1 5 . 1 1 36 36 ALA H H 36 9.110 9.110 8.264 0.846 19286 1324 1 5 . 1 1 37 37 ALA N N 37 115.420 115.420 120.384 -4.964 19286 1325 1 5 . 1 1 37 37 ALA H H 37 7.480 7.480 8.060 -0.580 19286 1326 1 5 . 1 1 38 38 THR N N 38 112.980 112.980 114.400 -1.420 19286 1327 1 5 . 1 1 38 38 THR H H 38 8.170 8.170 8.050 0.120 19286 1328 1 5 . 1 1 39 39 ALA CB C 39 22.610 22.610 18.828 3.782 19286 1329 1 5 . 1 1 40 40 SER N N 40 113.630 113.630 115.634 -2.004 19286 1330 1 5 . 1 1 40 40 SER HA H 40 4.450 4.450 4.398 0.052 19286 1331 1 5 . 1 1 40 40 SER CA C 40 57.480 57.480 58.910 -1.429 19286 1332 1 5 . 1 1 40 40 SER H H 40 8.980 8.980 8.317 0.663 19286 1333 1 5 . 1 1 41 41 ARG N N 41 117.890 117.890 127.848 -9.958 19286 1334 1 5 . 1 1 41 41 ARG CB C 41 34.110 34.110 32.585 1.525 19286 1335 1 5 . 1 1 41 41 ARG H H 41 7.340 7.340 8.626 -1.286 19286 1336 1 5 . 1 1 42 42 MET N N 42 123.460 123.460 124.590 -1.130 19286 1337 1 5 . 1 1 42 42 MET HA H 42 4.040 4.040 3.742 0.298 19286 1338 1 5 . 1 1 42 42 MET H H 42 9.340 9.340 9.025 0.315 19286 1339 1 5 . 1 1 43 43 GLN N N 43 117.010 117.010 117.613 -0.603 19286 1340 1 5 . 1 1 43 43 GLN H H 43 8.940 8.940 8.608 0.332 19286 1341 1 5 . 1 1 44 44 GLU N N 44 117.430 117.430 119.731 -2.301 19286 1342 1 5 . 1 1 44 44 GLU CB C 44 26.690 26.690 29.453 -2.763 19286 1343 1 5 . 1 1 44 44 GLU H H 44 7.160 7.160 7.514 -0.354 19286 1344 1 5 . 1 1 45 45 ALA N N 45 121.060 121.060 123.217 -2.157 19286 1345 1 5 . 1 1 45 45 ALA HA H 45 3.680 3.680 4.047 -0.367 19286 1346 1 5 . 1 1 45 45 ALA CA C 45 55.940 55.940 55.311 0.629 19286 1347 1 5 . 1 1 45 45 ALA CB C 45 20.940 20.940 18.205 2.735 19286 1348 1 5 . 1 1 45 45 ALA H H 45 8.220 8.220 8.395 -0.175 19286 1349 1 5 . 1 1 46 46 LEU N N 46 116.750 116.750 118.335 -1.585 19286 1350 1 5 . 1 1 46 46 LEU H H 46 8.350 8.350 7.639 0.711 19286 1351 1 5 . 1 1 47 47 ASP N N 47 117.760 117.760 118.917 -1.157 19286 1352 1 5 . 1 1 47 47 ASP H H 47 7.400 7.400 8.200 -0.800 19286 1353 1 5 . 1 1 48 48 ILE N N 48 118.660 118.660 117.665 0.995 19286 1354 1 5 . 1 1 48 48 ILE H H 48 8.220 8.220 7.955 0.265 19286 1355 1 5 . 1 1 49 49 ALA N N 49 123.150 123.150 123.477 -0.327 19286 1356 1 5 . 1 1 49 49 ALA HA H 49 4.040 4.040 3.911 0.129 19286 1357 1 5 . 1 1 49 49 ALA CA C 49 55.940 55.940 54.600 1.340 19286 1358 1 5 . 1 1 49 49 ALA CB C 49 18.120 18.120 18.670 -0.550 19286 1359 1 5 . 1 1 49 49 ALA H H 49 8.610 8.610 7.759 0.851 19286 1360 1 5 . 1 1 50 50 ARG N N 50 113.110 113.110 117.632 -4.522 19286 1361 1 5 . 1 1 50 50 ARG CB C 50 26.570 26.570 29.919 -3.349 19286 1362 1 5 . 1 1 50 50 ARG H H 50 7.440 7.440 8.142 -0.702 19286 1363 1 5 . 1 1 51 51 LYS N N 51 114.910 114.910 118.280 -3.370 19286 1364 1 5 . 1 1 51 51 LYS H H 51 7.550 7.550 7.494 0.056 19286 1365 1 5 . 1 1 52 52 GLY N N 52 108.150 108.150 106.579 1.571 19286 1366 1 5 . 1 1 52 52 GLY H H 52 8.920 8.920 7.614 1.306 19286 1367 1 5 . 1 1 53 53 GLN N N 53 120.450 120.450 117.554 2.896 19286 1368 1 5 . 1 1 53 53 GLN H H 53 8.320 8.320 7.827 0.493 19286 1369 1 5 . 1 1 54 54 PHE N N 54 119.090 119.090 118.814 0.276 19286 1370 1 5 . 1 1 54 54 PHE H H 54 7.180 7.180 8.158 -0.978 19286 1371 1 5 . 1 1 55 55 ASP N N 55 117.290 117.290 118.988 -1.698 19286 1372 1 5 . 1 1 55 55 ASP H H 55 9.330 9.330 8.966 0.364 19286 1373 1 5 . 1 1 56 56 ILE N N 56 109.550 109.550 116.469 -6.919 19286 1374 1 5 . 1 1 56 56 ILE HA H 56 5.220 5.220 3.930 1.290 19286 1375 1 5 . 1 1 56 56 ILE CA C 56 59.690 59.690 59.995 -0.305 19286 1376 1 5 . 1 1 56 56 ILE H H 56 7.690 7.690 7.531 0.159 19286 1377 1 5 . 1 1 57 57 ALA N N 57 122.390 122.390 123.779 -1.389 19286 1378 1 5 . 1 1 57 57 ALA HA H 57 5.480 5.480 5.313 0.167 19286 1379 1 5 . 1 1 57 57 ALA CA C 57 50.940 50.940 50.783 0.156 19286 1380 1 5 . 1 1 57 57 ALA H H 57 8.000 8.000 7.801 0.199 19286 1381 1 5 . 1 1 59 59 ILE N N 59 122.950 122.950 127.110 -4.160 19286 1382 1 5 . 1 1 59 59 ILE HA H 59 4.990 4.990 4.523 0.467 19286 1383 1 5 . 1 1 59 59 ILE CA C 59 57.190 57.190 57.765 -0.575 19286 1384 1 5 . 1 1 59 59 ILE H H 59 8.930 8.930 7.395 1.535 19286 1385 1 5 . 1 1 60 60 ASP N N 60 127.320 127.320 123.341 3.979 19286 1386 1 5 . 1 1 60 60 ASP HA H 60 5.100 5.100 4.400 0.700 19286 1387 1 5 . 1 1 60 60 ASP CA C 60 55.100 55.100 54.764 0.336 19286 1388 1 5 . 1 1 60 60 ASP H H 60 8.360 8.360 7.549 0.811 19286 1389 1 5 . 1 1 61 61 VAL N N 61 121.040 121.040 118.356 2.684 19286 1390 1 5 . 1 1 61 61 VAL HA H 61 3.700 3.700 3.671 0.029 19286 1391 1 5 . 1 1 61 61 VAL CA C 61 64.630 64.630 63.655 0.975 19286 1392 1 5 . 1 1 61 61 VAL CB C 61 31.590 31.590 32.325 -0.735 19286 1393 1 5 . 1 1 61 61 VAL H H 61 8.540 8.540 8.591 -0.051 19286 1394 1 5 . 1 1 63 63 LEU N N 63 121.830 121.830 112.557 9.273 19286 1395 1 5 . 1 1 63 63 LEU HA H 63 4.400 4.400 4.766 -0.366 19286 1396 1 5 . 1 1 63 63 LEU CA C 63 52.810 52.810 53.416 -0.606 19286 1397 1 5 . 1 1 63 63 LEU H H 63 8.960 8.960 7.313 1.647 19286 1398 1 5 . 1 1 64 64 ASP N N 64 128.450 128.450 119.901 8.549 19286 1399 1 5 . 1 1 64 64 ASP HA H 64 4.290 4.290 4.305 -0.015 19286 1400 1 5 . 1 1 64 64 ASP CA C 64 55.940 55.940 55.595 0.345 19286 1401 1 5 . 1 1 64 64 ASP CB C 64 40.390 40.390 40.012 0.378 19286 1402 1 5 . 1 1 64 64 ASP H H 64 9.840 9.840 8.861 0.979 19286 1403 1 5 . 1 1 65 65 GLY N N 65 133.580 133.580 102.949 30.631 19286 1404 1 5 . 1 1 65 65 GLY H H 65 8.400 8.400 7.973 0.427 19286 1405 1 5 . 1 1 66 66 GLU N N 66 121.110 121.110 119.098 2.012 19286 1406 1 5 . 1 1 66 66 GLU HA H 66 4.920 4.920 4.030 0.890 19286 1407 1 5 . 1 1 66 66 GLU CA C 66 53.100 53.100 56.672 -3.571 19286 1408 1 5 . 1 1 66 66 GLU H H 66 7.790 7.790 7.898 -0.108 19286 1409 1 5 . 1 1 69 69 TYR N N 69 120.020 120.020 117.399 2.621 19286 1410 1 5 . 1 1 69 69 TYR HA H 69 4.410 4.410 4.142 0.268 19286 1411 1 5 . 1 1 69 69 TYR CA C 69 60.970 60.970 57.980 2.990 19286 1412 1 5 . 1 1 69 69 TYR H H 69 6.480 6.480 7.247 -0.767 19286 1413 1 5 . 1 1 71 71 VAL N N 71 115.000 115.000 121.234 -6.234 19286 1414 1 5 . 1 1 71 71 VAL H H 71 7.640 7.640 7.755 -0.115 19286 1415 1 5 . 1 1 72 72 ALA N N 72 122.000 122.000 122.807 -0.807 19286 1416 1 5 . 1 1 72 72 ALA CB C 72 20.110 20.110 18.000 2.110 19286 1417 1 5 . 1 1 72 72 ALA H H 72 6.890 6.890 8.147 -1.257 19286 1418 1 5 . 1 1 73 73 ASP N N 73 116.020 116.020 118.504 -2.484 19286 1419 1 5 . 1 1 73 73 ASP H H 73 8.610 8.610 7.601 1.009 19286 1420 1 5 . 1 1 74 74 ILE N N 74 120.950 120.950 121.056 -0.106 19286 1421 1 5 . 1 1 74 74 ILE H H 74 7.060 7.060 7.628 -0.568 19286 1422 1 5 . 1 1 75 75 LEU N N 75 119.760 119.760 120.058 -0.298 19286 1423 1 5 . 1 1 75 75 LEU H H 75 7.460 7.460 8.775 -1.315 19286 1424 1 5 . 1 1 76 76 ALA N N 76 121.160 121.160 119.436 1.724 19286 1425 1 5 . 1 1 76 76 ALA H H 76 8.910 8.910 7.842 1.068 19286 1426 1 5 . 1 1 77 77 GLU N N 77 120.340 120.340 119.974 0.366 19286 1427 1 5 . 1 1 77 77 GLU H H 77 7.800 7.800 7.614 0.186 19286 1428 1 5 . 1 1 78 78 ARG N N 78 116.210 116.210 116.071 0.139 19286 1429 1 5 . 1 1 78 78 ARG H H 78 7.740 7.740 7.460 0.280 19286 1430 1 5 . 1 1 79 79 ASN N N 79 116.230 116.230 117.324 -1.094 19286 1431 1 5 . 1 1 79 79 ASN H H 79 8.030 8.030 7.419 0.611 19286 1432 1 5 . 1 1 80 80 VAL N N 80 121.200 121.200 117.870 3.330 19286 1433 1 5 . 1 1 80 80 VAL H H 80 8.200 8.200 7.790 0.410 19286 1434 1 5 . 1 1 82 82 PHE N N 82 113.440 113.440 120.726 -7.286 19286 1435 1 5 . 1 1 82 82 PHE HA H 82 5.690 5.690 5.141 0.549 19286 1436 1 5 . 1 1 82 82 PHE CA C 82 55.480 55.480 55.628 -0.148 19286 1437 1 5 . 1 1 82 82 PHE CB C 82 43.610 43.610 40.710 2.900 19286 1438 1 5 . 1 1 82 82 PHE H H 82 7.310 7.310 8.393 -1.083 19286 1439 1 5 . 1 1 83 83 ILE N N 83 115.230 115.230 118.329 -3.099 19286 1440 1 5 . 1 1 83 83 ILE HA H 83 4.260 4.260 3.518 0.742 19286 1441 1 5 . 1 1 83 83 ILE CA C 83 59.690 59.690 60.635 -0.945 19286 1442 1 5 . 1 1 83 83 ILE H H 83 7.880 7.880 7.541 0.339 19286 1443 1 5 . 1 1 84 84 PHE N N 84 122.680 122.680 122.902 -0.222 19286 1444 1 5 . 1 1 84 84 PHE HA H 84 6.190 6.190 4.907 1.283 19286 1445 1 5 . 1 1 84 84 PHE CA C 84 55.470 55.470 56.561 -1.091 19286 1446 1 5 . 1 1 84 84 PHE H H 84 8.360 8.360 7.840 0.520 19286 1447 1 5 . 1 1 85 85 ALA N N 85 123.760 123.760 123.505 0.255 19286 1448 1 5 . 1 1 85 85 ALA HA H 85 5.540 5.540 5.292 0.248 19286 1449 1 5 . 1 1 85 85 ALA CA C 85 50.940 50.940 51.593 -0.653 19286 1450 1 5 . 1 1 85 85 ALA H H 85 8.570 8.570 7.848 0.722 19286 1451 1 5 . 1 1 86 86 THR N N 86 114.260 114.260 114.419 -0.159 19286 1452 1 5 . 1 1 86 86 THR HA H 86 4.290 4.290 4.445 -0.155 19286 1453 1 5 . 1 1 86 86 THR CA C 86 56.720 56.720 60.844 -4.124 19286 1454 1 5 . 1 1 86 86 THR CB C 86 69.610 69.610 69.270 0.340 19286 1455 1 5 . 1 1 86 86 THR H H 86 8.640 8.640 8.663 -0.023 19286 1456 1 5 . 1 1 87 87 GLY N N 87 112.830 112.830 109.558 3.272 19286 1457 1 5 . 1 1 87 87 GLY H H 87 8.590 8.590 8.450 0.140 19286 1458 1 5 . 1 1 89 89 GLY N N 89 111.750 111.750 107.717 4.033 19286 1459 1 5 . 1 1 89 89 GLY H H 89 8.300 8.300 7.712 0.588 19286 1460 1 5 . 1 1 90 90 SER CA C 90 57.970 57.970 59.782 -1.812 19286 1461 1 5 . 1 1 90 90 SER H H 90 4.990 4.990 8.321 -3.331 19286 1462 1 5 . 1 1 91 91 LYS N N 91 122.950 122.950 117.942 5.008 19286 1463 1 5 . 1 1 91 91 LYS H H 91 8.180 8.180 8.424 -0.244 19286 1464 1 5 . 1 1 92 92 GLY N N 92 109.390 109.390 110.667 -1.277 19286 1465 1 5 . 1 1 92 92 GLY H H 92 8.320 8.320 8.207 0.113 19286 1466 1 5 . 1 1 93 93 LEU N N 93 121.760 121.760 115.452 6.308 19286 1467 1 5 . 1 1 93 93 LEU CB C 93 42.970 42.970 42.307 0.663 19286 1468 1 5 . 1 1 93 93 LEU H H 93 7.910 7.910 7.485 0.425 19286 1469 1 5 . 1 1 94 94 ASP N N 94 122.710 122.710 119.936 2.774 19286 1470 1 5 . 1 1 94 94 ASP H H 94 7.650 7.650 8.678 -1.028 19286 1471 1 5 . 1 1 95 95 THR N N 95 117.650 117.650 114.914 2.736 19286 1472 1 5 . 1 1 95 95 THR H H 95 8.210 8.210 8.280 -0.070 19286 1473 1 5 . 1 1 96 96 ARG N N 96 122.360 122.360 120.116 2.244 19286 1474 1 5 . 1 1 96 96 ARG H H 96 8.700 8.700 8.870 -0.170 19286 1475 1 5 . 1 1 97 97 TYR N N 97 117.080 117.080 118.380 -1.300 19286 1476 1 5 . 1 1 97 97 TYR CB C 97 39.220 39.220 39.348 -0.128 19286 1477 1 5 . 1 1 97 97 TYR H H 97 8.000 8.000 7.678 0.322 19286 1478 1 5 . 1 1 98 98 SER N N 98 114.730 114.730 109.280 5.450 19286 1479 1 5 . 1 1 98 98 SER H H 98 7.580 7.580 8.724 -1.144 19286 1480 1 5 . 1 1 99 99 ASN N N 99 117.230 117.230 115.539 1.691 19286 1481 1 5 . 1 1 99 99 ASN H H 99 8.600 8.600 8.709 -0.109 19286 1482 1 5 . 1 1 100 100 ILE N N 100 124.250 124.250 111.563 12.687 19286 1483 1 5 . 1 1 100 100 ILE H H 100 7.520 7.520 7.678 -0.158 19286 1484 1 5 . 1 1 102 102 LEU N N 102 121.060 121.060 116.386 4.674 19286 1485 1 5 . 1 1 102 102 LEU H H 102 7.870 7.870 7.610 0.260 19286 1486 1 5 . 1 1 103 103 LEU N N 103 126.970 126.970 117.284 9.686 19286 1487 1 5 . 1 1 103 103 LEU HA H 103 4.620 4.620 4.457 0.163 19286 1488 1 5 . 1 1 103 103 LEU CA C 103 54.690 54.690 55.349 -0.659 19286 1489 1 5 . 1 1 103 103 LEU H H 103 9.080 9.080 7.816 1.264 19286 1490 1 5 . 1 1 104 104 THR N N 104 118.430 118.430 114.271 4.159 19286 1491 1 5 . 1 1 104 104 THR HA H 104 4.760 4.760 4.609 0.151 19286 1492 1 5 . 1 1 104 104 THR CA C 104 63.440 63.440 61.297 2.143 19286 1493 1 5 . 1 1 104 104 THR H H 104 8.430 8.430 8.404 0.026 19286 1494 1 5 . 1 1 105 105 LYS N N 105 122.030 122.030 118.472 3.558 19286 1495 1 5 . 1 1 105 105 LYS HA H 105 4.290 4.290 3.704 0.586 19286 1496 1 5 . 1 1 105 105 LYS CA C 105 54.690 54.690 56.788 -2.098 19286 1497 1 5 . 1 1 105 105 LYS H H 105 8.170 8.170 8.218 -0.048 19286 1498 1 5 . 1 1 107 107 PHE N N 107 118.490 118.490 117.750 0.740 19286 1499 1 5 . 1 1 107 107 PHE H H 107 7.470 7.470 7.273 0.197 19286 1500 1 5 . 1 1 109 109 ASP N N 109 124.810 124.810 119.463 5.347 19286 1501 1 5 . 1 1 109 109 ASP HA H 109 4.710 4.710 4.396 0.314 19286 1502 1 5 . 1 1 109 109 ASP H H 109 9.130 9.130 8.733 0.397 19286 1503 1 5 . 1 1 110 110 SER HA H 110 4.270 4.270 4.411 -0.141 19286 1504 1 5 . 1 1 110 110 SER CA C 110 59.690 59.690 59.210 0.480 19286 1505 1 5 . 1 1 111 111 GLU N N 111 123.780 123.780 121.154 2.626 19286 1506 1 5 . 1 1 111 111 GLU HA H 111 4.060 4.060 4.027 0.033 19286 1507 1 5 . 1 1 111 111 GLU CA C 111 58.440 58.440 59.279 -0.839 19286 1508 1 5 . 1 1 111 111 GLU H H 111 7.410 7.410 8.584 -1.174 19286 1509 1 5 . 1 1 112 112 LEU N N 112 120.180 120.180 119.581 0.599 19286 1510 1 5 . 1 1 112 112 LEU HA H 112 3.900 3.900 3.949 -0.049 19286 1511 1 5 . 1 1 112 112 LEU CA C 112 58.440 58.440 58.057 0.383 19286 1512 1 5 . 1 1 112 112 LEU H H 112 7.670 7.670 7.899 -0.229 19286 1513 1 5 . 1 1 113 113 GLU N N 113 118.380 118.380 118.401 -0.021 19286 1514 1 5 . 1 1 113 113 GLU HA H 113 3.730 3.730 3.931 -0.201 19286 1515 1 5 . 1 1 113 113 GLU CA C 113 60.940 60.940 58.897 2.043 19286 1516 1 5 . 1 1 113 113 GLU H H 113 8.530 8.530 7.987 0.543 19286 1517 1 5 . 1 1 114 114 ALA N N 114 117.790 117.790 121.843 -4.053 19286 1518 1 5 . 1 1 114 114 ALA HA H 114 4.140 4.140 4.141 -0.001 19286 1519 1 5 . 1 1 114 114 ALA CA C 114 55.540 55.540 54.870 0.670 19286 1520 1 5 . 1 1 114 114 ALA CB C 114 18.440 18.440 18.798 -0.358 19286 1521 1 5 . 1 1 114 114 ALA H H 114 7.480 7.480 7.913 -0.433 19286 1522 1 5 . 1 1 115 115 VAL N N 115 116.000 116.000 115.677 0.323 19286 1523 1 5 . 1 1 115 115 VAL HA H 115 4.030 4.030 4.048 -0.018 19286 1524 1 5 . 1 1 115 115 VAL CA C 115 65.940 65.940 64.524 1.416 19286 1525 1 5 . 1 1 115 115 VAL H H 115 7.540 7.540 7.816 -0.276 19286 1526 1 5 . 1 1 116 116 LEU HA H 116 4.280 4.280 4.036 0.244 19286 1527 1 5 . 1 1 116 116 LEU CA C 116 57.570 57.570 57.716 -0.146 19286 1528 1 5 . 1 1 117 117 VAL N N 117 119.140 119.140 120.517 -1.377 19286 1529 1 5 . 1 1 117 117 VAL H H 117 8.200 8.200 7.526 0.674 19286 1530 1 5 . 1 1 120 120 SER N N 120 115.730 115.730 116.378 -0.648 19286 1531 1 5 . 1 1 120 120 SER H H 120 7.780 7.780 8.305 -0.525 19286 1532 1 5 . 1 1 121 121 LYS N N 121 120.870 120.870 121.566 -0.696 19286 1533 1 5 . 1 1 121 121 LYS H H 121 7.540 7.540 8.552 -1.012 19286 1534 1 5 . 1 1 122 122 GLU N N 122 120.160 120.160 118.341 1.819 19286 1535 1 5 . 1 1 122 122 GLU H H 122 8.140 8.140 8.686 -0.546 19286 1536 1 6 . 1 1 4 4 MET N N 4 121.520 121.520 120.725 0.795 19286 1537 1 6 . 1 1 4 4 MET H H 4 8.450 8.450 8.377 0.073 19286 1538 1 6 . 1 1 5 5 THR N N 5 115.270 115.270 111.839 3.431 19286 1539 1 6 . 1 1 5 5 THR H H 5 8.090 8.090 8.271 -0.181 19286 1540 1 6 . 1 1 6 6 GLU N N 6 123.580 123.580 119.703 3.877 19286 1541 1 6 . 1 1 6 6 GLU H H 6 8.430 8.430 8.512 -0.082 19286 1542 1 6 . 1 1 7 7 ARG N N 7 120.850 120.850 118.278 2.572 19286 1543 1 6 . 1 1 7 7 ARG H H 7 8.030 8.030 7.951 0.079 19286 1544 1 6 . 1 1 8 8 ARG N N 8 125.410 125.410 117.990 7.420 19286 1545 1 6 . 1 1 8 8 ARG HA H 8 4.370 4.370 4.460 -0.090 19286 1546 1 6 . 1 1 8 8 ARG H H 8 8.310 8.310 7.996 0.314 19286 1547 1 6 . 1 1 9 9 LEU N N 9 130.330 130.330 121.334 8.996 19286 1548 1 6 . 1 1 9 9 LEU HA H 9 4.610 4.610 4.508 0.102 19286 1549 1 6 . 1 1 9 9 LEU H H 9 11.100 11.100 8.026 3.074 19286 1550 1 6 . 1 1 10 10 ARG N N 10 121.420 121.420 123.564 -2.144 19286 1551 1 6 . 1 1 10 10 ARG HA H 10 5.010 5.010 4.479 0.531 19286 1552 1 6 . 1 1 10 10 ARG CA C 10 55.940 55.940 54.875 1.065 19286 1553 1 6 . 1 1 10 10 ARG H H 10 9.620 9.620 8.051 1.569 19286 1554 1 6 . 1 1 11 11 VAL N N 11 125.110 125.110 120.873 4.237 19286 1555 1 6 . 1 1 11 11 VAL HA H 11 4.970 4.970 4.887 0.083 19286 1556 1 6 . 1 1 11 11 VAL H H 11 9.210 9.210 8.524 0.686 19286 1557 1 6 . 1 1 12 12 LEU N N 12 130.050 130.050 128.537 1.513 19286 1558 1 6 . 1 1 12 12 LEU HA H 12 4.780 4.780 4.617 0.163 19286 1559 1 6 . 1 1 12 12 LEU H H 12 8.260 8.260 9.496 -1.236 19286 1560 1 6 . 1 1 13 13 VAL N N 13 128.060 128.060 126.148 1.912 19286 1561 1 6 . 1 1 13 13 VAL HA H 13 4.610 4.610 4.295 0.315 19286 1562 1 6 . 1 1 13 13 VAL H H 13 8.330 8.330 8.057 0.273 19286 1563 1 6 . 1 1 14 14 VAL N N 14 128.470 128.470 120.512 7.958 19286 1564 1 6 . 1 1 14 14 VAL HA H 14 4.700 4.700 4.716 -0.016 19286 1565 1 6 . 1 1 14 14 VAL H H 14 8.840 8.840 8.239 0.601 19286 1566 1 6 . 1 1 15 15 GLU N N 15 124.840 124.840 125.051 -0.211 19286 1567 1 6 . 1 1 15 15 GLU HA H 15 4.620 4.620 4.556 0.064 19286 1568 1 6 . 1 1 15 15 GLU H H 15 7.950 7.950 8.352 -0.402 19286 1569 1 6 . 1 1 16 16 ASP N N 16 125.840 125.840 121.033 4.807 19286 1570 1 6 . 1 1 16 16 ASP HA H 16 4.540 4.540 4.517 0.023 19286 1571 1 6 . 1 1 16 16 ASP H H 16 9.360 9.360 8.737 0.623 19286 1572 1 6 . 1 1 17 17 GLU HA H 17 4.290 4.290 4.509 -0.219 19286 1573 1 6 . 1 1 17 17 GLU CA C 17 55.540 55.540 54.676 0.864 19286 1574 1 6 . 1 1 18 18 SER N N 18 124.990 124.990 115.948 9.042 19286 1575 1 6 . 1 1 18 18 SER HA H 18 4.610 4.610 4.286 0.324 19286 1576 1 6 . 1 1 18 18 SER H H 18 8.820 8.820 8.845 -0.025 19286 1577 1 6 . 1 1 19 19 MET N N 19 119.940 119.940 120.814 -0.874 19286 1578 1 6 . 1 1 19 19 MET H H 19 9.030 9.030 8.096 0.934 19286 1579 1 6 . 1 1 20 20 ILE N N 20 118.700 118.700 116.622 2.078 19286 1580 1 6 . 1 1 20 20 ILE H H 20 7.200 7.200 7.492 -0.292 19286 1581 1 6 . 1 1 21 21 ALA N N 21 123.500 123.500 123.203 0.297 19286 1582 1 6 . 1 1 21 21 ALA CB C 21 18.860 18.860 18.840 0.021 19286 1583 1 6 . 1 1 21 21 ALA H H 21 8.370 8.370 7.785 0.585 19286 1584 1 6 . 1 1 22 22 MET N N 22 115.790 115.790 119.165 -3.375 19286 1585 1 6 . 1 1 22 22 MET HA H 22 4.160 4.160 4.248 -0.088 19286 1586 1 6 . 1 1 22 22 MET CA C 22 58.440 58.440 58.288 0.152 19286 1587 1 6 . 1 1 22 22 MET H H 22 8.090 8.090 8.222 -0.132 19286 1588 1 6 . 1 1 23 23 LEU N N 23 120.400 120.400 118.900 1.500 19286 1589 1 6 . 1 1 23 23 LEU H H 23 7.490 7.490 7.870 -0.380 19286 1590 1 6 . 1 1 24 24 ILE N N 24 120.840 120.840 119.670 1.170 19286 1591 1 6 . 1 1 24 24 ILE HA H 24 3.520 3.520 4.017 -0.497 19286 1592 1 6 . 1 1 24 24 ILE CA C 24 67.190 67.190 63.093 4.097 19286 1593 1 6 . 1 1 24 24 ILE CB C 24 38.440 38.440 39.376 -0.936 19286 1594 1 6 . 1 1 24 24 ILE H H 24 8.630 8.630 8.483 0.147 19286 1595 1 6 . 1 1 25 25 GLU N N 25 119.380 119.380 120.062 -0.682 19286 1596 1 6 . 1 1 25 25 GLU H H 25 8.550 8.550 7.846 0.704 19286 1597 1 6 . 1 1 26 26 ASP N N 26 119.700 119.700 116.716 2.984 19286 1598 1 6 . 1 1 26 26 ASP H H 26 8.890 8.890 7.872 1.018 19286 1599 1 6 . 1 1 27 27 THR N N 27 117.460 117.460 117.387 0.073 19286 1600 1 6 . 1 1 27 27 THR HA H 27 4.270 4.270 4.125 0.145 19286 1601 1 6 . 1 1 27 27 THR CA C 27 68.890 68.890 66.437 2.453 19286 1602 1 6 . 1 1 27 27 THR H H 27 8.100 8.100 7.673 0.427 19286 1603 1 6 . 1 1 28 28 LEU N N 28 120.440 120.440 122.112 -1.672 19286 1604 1 6 . 1 1 28 28 LEU HA H 28 3.920 3.920 4.327 -0.407 19286 1605 1 6 . 1 1 28 28 LEU CA C 28 58.440 58.440 57.884 0.556 19286 1606 1 6 . 1 1 28 28 LEU H H 28 8.610 8.610 8.329 0.281 19286 1607 1 6 . 1 1 29 29 CYS N N 29 116.920 116.920 118.014 -1.094 19286 1608 1 6 . 1 1 29 29 CYS H H 29 8.180 8.180 7.777 0.404 19286 1609 1 6 . 1 1 30 30 GLU N N 30 122.820 122.820 120.075 2.745 19286 1610 1 6 . 1 1 30 30 GLU HA H 30 4.160 4.160 4.234 -0.074 19286 1611 1 6 . 1 1 30 30 GLU CA C 30 59.690 59.690 58.224 1.466 19286 1612 1 6 . 1 1 30 30 GLU H H 30 8.060 8.060 8.068 -0.008 19286 1613 1 6 . 1 1 31 31 LEU N N 31 116.980 116.980 117.886 -0.906 19286 1614 1 6 . 1 1 31 31 LEU H H 31 7.660 7.660 7.320 0.340 19286 1615 1 6 . 1 1 32 32 GLY N N 32 105.410 105.410 106.939 -1.529 19286 1616 1 6 . 1 1 32 32 GLY H H 32 7.600 7.600 8.035 -0.435 19286 1617 1 6 . 1 1 33 33 HIS N N 33 119.380 119.380 118.197 1.183 19286 1618 1 6 . 1 1 33 33 HIS HA H 33 5.130 5.130 4.567 0.563 19286 1619 1 6 . 1 1 33 33 HIS CA C 33 56.350 56.350 56.520 -0.170 19286 1620 1 6 . 1 1 33 33 HIS CB C 33 33.470 33.470 30.670 2.800 19286 1621 1 6 . 1 1 33 33 HIS H H 33 7.780 7.780 7.477 0.303 19286 1622 1 6 . 1 1 34 34 GLU N N 34 117.930 117.930 120.688 -2.758 19286 1623 1 6 . 1 1 34 34 GLU H H 34 8.870 8.870 8.375 0.495 19286 1624 1 6 . 1 1 35 35 VAL N N 35 125.860 125.860 119.096 6.764 19286 1625 1 6 . 1 1 35 35 VAL HA H 35 4.710 4.710 4.227 0.483 19286 1626 1 6 . 1 1 35 35 VAL H H 35 8.870 8.870 8.286 0.584 19286 1627 1 6 . 1 1 36 36 ALA N N 36 132.950 132.950 130.353 2.597 19286 1628 1 6 . 1 1 36 36 ALA HA H 36 4.200 4.200 4.320 -0.120 19286 1629 1 6 . 1 1 36 36 ALA CB C 36 23.860 23.860 19.720 4.140 19286 1630 1 6 . 1 1 36 36 ALA H H 36 9.110 9.110 8.012 1.098 19286 1631 1 6 . 1 1 37 37 ALA N N 37 115.420 115.420 119.828 -4.408 19286 1632 1 6 . 1 1 37 37 ALA H H 37 7.480 7.480 7.998 -0.518 19286 1633 1 6 . 1 1 38 38 THR N N 38 112.980 112.980 115.688 -2.708 19286 1634 1 6 . 1 1 38 38 THR H H 38 8.170 8.170 8.151 0.019 19286 1635 1 6 . 1 1 39 39 ALA CB C 39 22.610 22.610 18.942 3.668 19286 1636 1 6 . 1 1 40 40 SER N N 40 113.630 113.630 116.285 -2.655 19286 1637 1 6 . 1 1 40 40 SER HA H 40 4.450 4.450 4.344 0.106 19286 1638 1 6 . 1 1 40 40 SER CA C 40 57.480 57.480 59.082 -1.602 19286 1639 1 6 . 1 1 40 40 SER H H 40 8.980 8.980 8.678 0.302 19286 1640 1 6 . 1 1 41 41 ARG N N 41 117.890 117.890 127.383 -9.493 19286 1641 1 6 . 1 1 41 41 ARG CB C 41 34.110 34.110 32.754 1.357 19286 1642 1 6 . 1 1 41 41 ARG H H 41 7.340 7.340 8.431 -1.091 19286 1643 1 6 . 1 1 42 42 MET N N 42 123.460 123.460 125.120 -1.660 19286 1644 1 6 . 1 1 42 42 MET HA H 42 4.040 4.040 3.549 0.491 19286 1645 1 6 . 1 1 42 42 MET H H 42 9.340 9.340 8.782 0.558 19286 1646 1 6 . 1 1 43 43 GLN N N 43 117.010 117.010 119.744 -2.734 19286 1647 1 6 . 1 1 43 43 GLN H H 43 8.940 8.940 8.494 0.446 19286 1648 1 6 . 1 1 44 44 GLU N N 44 117.430 117.430 119.177 -1.747 19286 1649 1 6 . 1 1 44 44 GLU CB C 44 26.690 26.690 29.382 -2.692 19286 1650 1 6 . 1 1 44 44 GLU H H 44 7.160 7.160 8.527 -1.367 19286 1651 1 6 . 1 1 45 45 ALA N N 45 121.060 121.060 121.858 -0.798 19286 1652 1 6 . 1 1 45 45 ALA HA H 45 3.680 3.680 4.005 -0.325 19286 1653 1 6 . 1 1 45 45 ALA CA C 45 55.940 55.940 55.170 0.770 19286 1654 1 6 . 1 1 45 45 ALA CB C 45 20.940 20.940 18.478 2.462 19286 1655 1 6 . 1 1 45 45 ALA H H 45 8.220 8.220 8.120 0.100 19286 1656 1 6 . 1 1 46 46 LEU N N 46 116.750 116.750 118.045 -1.295 19286 1657 1 6 . 1 1 46 46 LEU H H 46 8.350 8.350 7.815 0.535 19286 1658 1 6 . 1 1 47 47 ASP N N 47 117.760 117.760 117.400 0.360 19286 1659 1 6 . 1 1 47 47 ASP H H 47 7.400 7.400 8.111 -0.711 19286 1660 1 6 . 1 1 48 48 ILE N N 48 118.660 118.660 113.197 5.463 19286 1661 1 6 . 1 1 48 48 ILE H H 48 8.220 8.220 7.515 0.705 19286 1662 1 6 . 1 1 49 49 ALA N N 49 123.150 123.150 123.590 -0.440 19286 1663 1 6 . 1 1 49 49 ALA HA H 49 4.040 4.040 4.094 -0.054 19286 1664 1 6 . 1 1 49 49 ALA CA C 49 55.940 55.940 54.036 1.904 19286 1665 1 6 . 1 1 49 49 ALA CB C 49 18.120 18.120 18.822 -0.702 19286 1666 1 6 . 1 1 49 49 ALA H H 49 8.610 8.610 6.982 1.628 19286 1667 1 6 . 1 1 50 50 ARG N N 50 113.110 113.110 119.197 -6.087 19286 1668 1 6 . 1 1 50 50 ARG CB C 50 26.570 26.570 29.846 -3.276 19286 1669 1 6 . 1 1 50 50 ARG H H 50 7.440 7.440 7.904 -0.464 19286 1670 1 6 . 1 1 51 51 LYS N N 51 114.910 114.910 118.766 -3.856 19286 1671 1 6 . 1 1 51 51 LYS H H 51 7.550 7.550 7.533 0.017 19286 1672 1 6 . 1 1 52 52 GLY N N 52 108.150 108.150 106.315 1.835 19286 1673 1 6 . 1 1 52 52 GLY H H 52 8.920 8.920 8.318 0.602 19286 1674 1 6 . 1 1 53 53 GLN N N 53 120.450 120.450 114.329 6.121 19286 1675 1 6 . 1 1 53 53 GLN H H 53 8.320 8.320 8.197 0.123 19286 1676 1 6 . 1 1 54 54 PHE N N 54 119.090 119.090 119.029 0.061 19286 1677 1 6 . 1 1 54 54 PHE H H 54 7.180 7.180 7.945 -0.765 19286 1678 1 6 . 1 1 55 55 ASP N N 55 117.290 117.290 118.052 -0.762 19286 1679 1 6 . 1 1 55 55 ASP H H 55 9.330 9.330 8.552 0.778 19286 1680 1 6 . 1 1 56 56 ILE N N 56 109.550 109.550 117.886 -8.336 19286 1681 1 6 . 1 1 56 56 ILE HA H 56 5.220 5.220 4.441 0.779 19286 1682 1 6 . 1 1 56 56 ILE CA C 56 59.690 59.690 60.634 -0.944 19286 1683 1 6 . 1 1 56 56 ILE H H 56 7.690 7.690 8.132 -0.442 19286 1684 1 6 . 1 1 57 57 ALA N N 57 122.390 122.390 126.455 -4.065 19286 1685 1 6 . 1 1 57 57 ALA HA H 57 5.480 5.480 5.418 0.062 19286 1686 1 6 . 1 1 57 57 ALA CA C 57 50.940 50.940 51.243 -0.303 19286 1687 1 6 . 1 1 57 57 ALA H H 57 8.000 8.000 8.320 -0.320 19286 1688 1 6 . 1 1 59 59 ILE N N 59 122.950 122.950 129.558 -6.608 19286 1689 1 6 . 1 1 59 59 ILE HA H 59 4.990 4.990 4.329 0.661 19286 1690 1 6 . 1 1 59 59 ILE CA C 59 57.190 57.190 59.210 -2.020 19286 1691 1 6 . 1 1 59 59 ILE H H 59 8.930 8.930 7.664 1.266 19286 1692 1 6 . 1 1 60 60 ASP N N 60 127.320 127.320 123.472 3.848 19286 1693 1 6 . 1 1 60 60 ASP HA H 60 5.100 5.100 4.517 0.583 19286 1694 1 6 . 1 1 60 60 ASP CA C 60 55.100 55.100 54.894 0.206 19286 1695 1 6 . 1 1 60 60 ASP H H 60 8.360 8.360 7.878 0.482 19286 1696 1 6 . 1 1 61 61 VAL N N 61 121.040 121.040 118.380 2.660 19286 1697 1 6 . 1 1 61 61 VAL HA H 61 3.700 3.700 3.581 0.119 19286 1698 1 6 . 1 1 61 61 VAL CA C 61 64.630 64.630 64.011 0.619 19286 1699 1 6 . 1 1 61 61 VAL CB C 61 31.590 31.590 31.703 -0.113 19286 1700 1 6 . 1 1 61 61 VAL H H 61 8.540 8.540 8.211 0.329 19286 1701 1 6 . 1 1 63 63 LEU N N 63 121.830 121.830 120.980 0.850 19286 1702 1 6 . 1 1 63 63 LEU HA H 63 4.400 4.400 4.430 -0.030 19286 1703 1 6 . 1 1 63 63 LEU CA C 63 52.810 52.810 55.423 -2.613 19286 1704 1 6 . 1 1 63 63 LEU H H 63 8.960 8.960 8.747 0.213 19286 1705 1 6 . 1 1 64 64 ASP N N 64 128.450 128.450 118.558 9.892 19286 1706 1 6 . 1 1 64 64 ASP HA H 64 4.290 4.290 4.394 -0.104 19286 1707 1 6 . 1 1 64 64 ASP CA C 64 55.940 55.940 55.325 0.614 19286 1708 1 6 . 1 1 64 64 ASP CB C 64 40.390 40.390 40.267 0.123 19286 1709 1 6 . 1 1 64 64 ASP H H 64 9.840 9.840 8.580 1.260 19286 1710 1 6 . 1 1 65 65 GLY N N 65 133.580 133.580 104.254 29.326 19286 1711 1 6 . 1 1 65 65 GLY H H 65 8.400 8.400 8.178 0.222 19286 1712 1 6 . 1 1 66 66 GLU N N 66 121.110 121.110 119.775 1.335 19286 1713 1 6 . 1 1 66 66 GLU HA H 66 4.920 4.920 4.120 0.800 19286 1714 1 6 . 1 1 66 66 GLU CA C 66 53.100 53.100 56.672 -3.572 19286 1715 1 6 . 1 1 66 66 GLU H H 66 7.790 7.790 7.437 0.353 19286 1716 1 6 . 1 1 69 69 TYR N N 69 120.020 120.020 114.891 5.129 19286 1717 1 6 . 1 1 69 69 TYR HA H 69 4.410 4.410 4.254 0.156 19286 1718 1 6 . 1 1 69 69 TYR CA C 69 60.970 60.970 56.975 3.995 19286 1719 1 6 . 1 1 69 69 TYR H H 69 6.480 6.480 7.639 -1.159 19286 1720 1 6 . 1 1 71 71 VAL N N 71 115.000 115.000 117.232 -2.232 19286 1721 1 6 . 1 1 71 71 VAL H H 71 7.640 7.640 7.528 0.112 19286 1722 1 6 . 1 1 72 72 ALA N N 72 122.000 122.000 124.747 -2.747 19286 1723 1 6 . 1 1 72 72 ALA CB C 72 20.110 20.110 18.060 2.050 19286 1724 1 6 . 1 1 72 72 ALA H H 72 6.890 6.890 7.813 -0.923 19286 1725 1 6 . 1 1 73 73 ASP N N 73 116.020 116.020 117.979 -1.959 19286 1726 1 6 . 1 1 73 73 ASP H H 73 8.610 8.610 7.523 1.087 19286 1727 1 6 . 1 1 74 74 ILE N N 74 120.950 120.950 120.872 0.078 19286 1728 1 6 . 1 1 74 74 ILE H H 74 7.060 7.060 7.385 -0.325 19286 1729 1 6 . 1 1 75 75 LEU N N 75 119.760 119.760 120.622 -0.862 19286 1730 1 6 . 1 1 75 75 LEU H H 75 7.460 7.460 8.785 -1.325 19286 1731 1 6 . 1 1 76 76 ALA N N 76 121.160 121.160 119.913 1.247 19286 1732 1 6 . 1 1 76 76 ALA H H 76 8.910 8.910 7.818 1.092 19286 1733 1 6 . 1 1 77 77 GLU N N 77 120.340 120.340 118.759 1.581 19286 1734 1 6 . 1 1 77 77 GLU H H 77 7.800 7.800 8.118 -0.318 19286 1735 1 6 . 1 1 78 78 ARG N N 78 116.210 116.210 115.289 0.921 19286 1736 1 6 . 1 1 78 78 ARG H H 78 7.740 7.740 7.996 -0.256 19286 1737 1 6 . 1 1 79 79 ASN N N 79 116.230 116.230 117.500 -1.270 19286 1738 1 6 . 1 1 79 79 ASN H H 79 8.030 8.030 8.072 -0.042 19286 1739 1 6 . 1 1 80 80 VAL N N 80 121.200 121.200 120.385 0.815 19286 1740 1 6 . 1 1 80 80 VAL H H 80 8.200 8.200 7.048 1.152 19286 1741 1 6 . 1 1 82 82 PHE N N 82 113.440 113.440 117.686 -4.246 19286 1742 1 6 . 1 1 82 82 PHE HA H 82 5.690 5.690 4.980 0.710 19286 1743 1 6 . 1 1 82 82 PHE CA C 82 55.480 55.480 55.095 0.385 19286 1744 1 6 . 1 1 82 82 PHE CB C 82 43.610 43.610 40.584 3.026 19286 1745 1 6 . 1 1 82 82 PHE H H 82 7.310 7.310 8.023 -0.713 19286 1746 1 6 . 1 1 83 83 ILE N N 83 115.230 115.230 118.684 -3.454 19286 1747 1 6 . 1 1 83 83 ILE HA H 83 4.260 4.260 3.565 0.695 19286 1748 1 6 . 1 1 83 83 ILE CA C 83 59.690 59.690 60.941 -1.251 19286 1749 1 6 . 1 1 83 83 ILE H H 83 7.880 7.880 7.441 0.439 19286 1750 1 6 . 1 1 84 84 PHE N N 84 122.680 122.680 121.799 0.881 19286 1751 1 6 . 1 1 84 84 PHE HA H 84 6.190 6.190 4.740 1.450 19286 1752 1 6 . 1 1 84 84 PHE CA C 84 55.470 55.470 57.170 -1.700 19286 1753 1 6 . 1 1 84 84 PHE H H 84 8.360 8.360 8.559 -0.199 19286 1754 1 6 . 1 1 85 85 ALA N N 85 123.760 123.760 125.608 -1.848 19286 1755 1 6 . 1 1 85 85 ALA HA H 85 5.540 5.540 4.953 0.587 19286 1756 1 6 . 1 1 85 85 ALA CA C 85 50.940 50.940 52.144 -1.204 19286 1757 1 6 . 1 1 85 85 ALA H H 85 8.570 8.570 8.239 0.331 19286 1758 1 6 . 1 1 86 86 THR N N 86 114.260 114.260 116.698 -2.438 19286 1759 1 6 . 1 1 86 86 THR HA H 86 4.290 4.290 4.426 -0.136 19286 1760 1 6 . 1 1 86 86 THR CA C 86 56.720 56.720 59.706 -2.986 19286 1761 1 6 . 1 1 86 86 THR CB C 86 69.610 69.610 70.395 -0.785 19286 1762 1 6 . 1 1 86 86 THR H H 86 8.640 8.640 7.396 1.244 19286 1763 1 6 . 1 1 87 87 GLY N N 87 112.830 112.830 110.476 2.354 19286 1764 1 6 . 1 1 87 87 GLY H H 87 8.590 8.590 8.847 -0.257 19286 1765 1 6 . 1 1 89 89 GLY N N 89 111.750 111.750 109.670 2.080 19286 1766 1 6 . 1 1 89 89 GLY H H 89 8.300 8.300 8.277 0.023 19286 1767 1 6 . 1 1 90 90 SER CA C 90 57.970 57.970 57.972 -0.002 19286 1768 1 6 . 1 1 90 90 SER H H 90 4.990 4.990 7.914 -2.924 19286 1769 1 6 . 1 1 91 91 LYS N N 91 122.950 122.950 122.142 0.808 19286 1770 1 6 . 1 1 91 91 LYS H H 91 8.180 8.180 8.452 -0.272 19286 1771 1 6 . 1 1 92 92 GLY N N 92 109.390 109.390 106.473 2.917 19286 1772 1 6 . 1 1 92 92 GLY H H 92 8.320 8.320 8.044 0.276 19286 1773 1 6 . 1 1 93 93 LEU N N 93 121.760 121.760 121.391 0.369 19286 1774 1 6 . 1 1 93 93 LEU CB C 93 42.970 42.970 41.699 1.271 19286 1775 1 6 . 1 1 93 93 LEU H H 93 7.910 7.910 7.903 0.007 19286 1776 1 6 . 1 1 94 94 ASP N N 94 122.710 122.710 122.541 0.169 19286 1777 1 6 . 1 1 94 94 ASP H H 94 7.650 7.650 8.610 -0.960 19286 1778 1 6 . 1 1 95 95 THR N N 95 117.650 117.650 113.511 4.139 19286 1779 1 6 . 1 1 95 95 THR H H 95 8.210 8.210 7.986 0.224 19286 1780 1 6 . 1 1 96 96 ARG N N 96 122.360 122.360 118.488 3.872 19286 1781 1 6 . 1 1 96 96 ARG H H 96 8.700 8.700 8.849 -0.149 19286 1782 1 6 . 1 1 97 97 TYR N N 97 117.080 117.080 117.184 -0.104 19286 1783 1 6 . 1 1 97 97 TYR CB C 97 39.220 39.220 38.658 0.562 19286 1784 1 6 . 1 1 97 97 TYR H H 97 8.000 8.000 7.837 0.163 19286 1785 1 6 . 1 1 98 98 SER N N 98 114.730 114.730 113.164 1.566 19286 1786 1 6 . 1 1 98 98 SER H H 98 7.580 7.580 7.702 -0.122 19286 1787 1 6 . 1 1 99 99 ASN N N 99 117.230 117.230 112.618 4.612 19286 1788 1 6 . 1 1 99 99 ASN H H 99 8.600 8.600 8.683 -0.083 19286 1789 1 6 . 1 1 100 100 ILE N N 100 124.250 124.250 112.571 11.679 19286 1790 1 6 . 1 1 100 100 ILE H H 100 7.520 7.520 7.446 0.074 19286 1791 1 6 . 1 1 102 102 LEU N N 102 121.060 121.060 119.227 1.833 19286 1792 1 6 . 1 1 102 102 LEU H H 102 7.870 7.870 7.565 0.305 19286 1793 1 6 . 1 1 103 103 LEU N N 103 126.970 126.970 118.783 8.187 19286 1794 1 6 . 1 1 103 103 LEU HA H 103 4.620 4.620 4.508 0.112 19286 1795 1 6 . 1 1 103 103 LEU CA C 103 54.690 54.690 54.741 -0.051 19286 1796 1 6 . 1 1 103 103 LEU H H 103 9.080 9.080 7.975 1.105 19286 1797 1 6 . 1 1 104 104 THR N N 104 118.430 118.430 114.976 3.454 19286 1798 1 6 . 1 1 104 104 THR HA H 104 4.760 4.760 4.343 0.417 19286 1799 1 6 . 1 1 104 104 THR CA C 104 63.440 63.440 62.581 0.859 19286 1800 1 6 . 1 1 104 104 THR H H 104 8.430 8.430 8.434 -0.004 19286 1801 1 6 . 1 1 105 105 LYS N N 105 122.030 122.030 119.451 2.579 19286 1802 1 6 . 1 1 105 105 LYS HA H 105 4.290 4.290 3.943 0.347 19286 1803 1 6 . 1 1 105 105 LYS CA C 105 54.690 54.690 56.911 -2.221 19286 1804 1 6 . 1 1 105 105 LYS H H 105 8.170 8.170 7.599 0.571 19286 1805 1 6 . 1 1 107 107 PHE N N 107 118.490 118.490 116.561 1.929 19286 1806 1 6 . 1 1 107 107 PHE H H 107 7.470 7.470 7.353 0.117 19286 1807 1 6 . 1 1 109 109 ASP N N 109 124.810 124.810 114.747 10.063 19286 1808 1 6 . 1 1 109 109 ASP HA H 109 4.710 4.710 4.530 0.180 19286 1809 1 6 . 1 1 109 109 ASP H H 109 9.130 9.130 8.136 0.994 19286 1810 1 6 . 1 1 110 110 SER HA H 110 4.270 4.270 4.350 -0.080 19286 1811 1 6 . 1 1 110 110 SER CA C 110 59.690 59.690 60.266 -0.576 19286 1812 1 6 . 1 1 111 111 GLU N N 111 123.780 123.780 120.557 3.223 19286 1813 1 6 . 1 1 111 111 GLU HA H 111 4.060 4.060 4.165 -0.105 19286 1814 1 6 . 1 1 111 111 GLU CA C 111 58.440 58.440 59.830 -1.390 19286 1815 1 6 . 1 1 111 111 GLU H H 111 7.410 7.410 8.721 -1.311 19286 1816 1 6 . 1 1 112 112 LEU N N 112 120.180 120.180 115.958 4.222 19286 1817 1 6 . 1 1 112 112 LEU HA H 112 3.900 3.900 4.132 -0.232 19286 1818 1 6 . 1 1 112 112 LEU CA C 112 58.440 58.440 57.865 0.575 19286 1819 1 6 . 1 1 112 112 LEU H H 112 7.670 7.670 7.940 -0.270 19286 1820 1 6 . 1 1 113 113 GLU N N 113 118.380 118.380 120.133 -1.753 19286 1821 1 6 . 1 1 113 113 GLU HA H 113 3.730 3.730 3.929 -0.199 19286 1822 1 6 . 1 1 113 113 GLU CA C 113 60.940 60.940 59.261 1.679 19286 1823 1 6 . 1 1 113 113 GLU H H 113 8.530 8.530 8.697 -0.167 19286 1824 1 6 . 1 1 114 114 ALA N N 114 117.790 117.790 121.855 -4.065 19286 1825 1 6 . 1 1 114 114 ALA HA H 114 4.140 4.140 4.145 -0.005 19286 1826 1 6 . 1 1 114 114 ALA CA C 114 55.540 55.540 55.015 0.525 19286 1827 1 6 . 1 1 114 114 ALA CB C 114 18.440 18.440 18.639 -0.199 19286 1828 1 6 . 1 1 114 114 ALA H H 114 7.480 7.480 7.733 -0.253 19286 1829 1 6 . 1 1 115 115 VAL N N 115 116.000 116.000 114.993 1.007 19286 1830 1 6 . 1 1 115 115 VAL HA H 115 4.030 4.030 4.092 -0.062 19286 1831 1 6 . 1 1 115 115 VAL CA C 115 65.940 65.940 65.105 0.835 19286 1832 1 6 . 1 1 115 115 VAL H H 115 7.540 7.540 7.489 0.051 19286 1833 1 6 . 1 1 116 116 LEU HA H 116 4.280 4.280 4.191 0.089 19286 1834 1 6 . 1 1 116 116 LEU CA C 116 57.570 57.570 57.595 -0.025 19286 1835 1 6 . 1 1 117 117 VAL N N 117 119.140 119.140 113.184 5.956 19286 1836 1 6 . 1 1 117 117 VAL H H 117 8.200 8.200 8.329 -0.129 19286 1837 1 6 . 1 1 120 120 SER N N 120 115.730 115.730 116.176 -0.446 19286 1838 1 6 . 1 1 120 120 SER H H 120 7.780 7.780 7.803 -0.023 19286 1839 1 6 . 1 1 121 121 LYS N N 121 120.870 120.870 119.380 1.490 19286 1840 1 6 . 1 1 121 121 LYS H H 121 7.540 7.540 7.945 -0.405 19286 1841 1 6 . 1 1 122 122 GLU N N 122 120.160 120.160 116.707 3.453 19286 1842 1 6 . 1 1 122 122 GLU H H 122 8.140 8.140 8.810 -0.670 19286 1843 1 7 . 1 1 4 4 MET N N 4 121.520 121.520 118.183 3.337 19286 1844 1 7 . 1 1 4 4 MET H H 4 8.450 8.450 8.543 -0.093 19286 1845 1 7 . 1 1 5 5 THR N N 5 115.270 115.270 108.144 7.126 19286 1846 1 7 . 1 1 5 5 THR H H 5 8.090 8.090 8.016 0.074 19286 1847 1 7 . 1 1 6 6 GLU N N 6 123.580 123.580 119.726 3.854 19286 1848 1 7 . 1 1 6 6 GLU H H 6 8.430 8.430 8.676 -0.246 19286 1849 1 7 . 1 1 7 7 ARG N N 7 120.850 120.850 121.919 -1.069 19286 1850 1 7 . 1 1 7 7 ARG H H 7 8.030 8.030 7.845 0.185 19286 1851 1 7 . 1 1 8 8 ARG N N 8 125.410 125.410 121.215 4.195 19286 1852 1 7 . 1 1 8 8 ARG HA H 8 4.370 4.370 4.317 0.053 19286 1853 1 7 . 1 1 8 8 ARG H H 8 8.310 8.310 8.610 -0.300 19286 1854 1 7 . 1 1 9 9 LEU N N 9 130.330 130.330 121.079 9.251 19286 1855 1 7 . 1 1 9 9 LEU HA H 9 4.610 4.610 4.449 0.161 19286 1856 1 7 . 1 1 9 9 LEU H H 9 11.100 11.100 7.858 3.242 19286 1857 1 7 . 1 1 10 10 ARG N N 10 121.420 121.420 122.142 -0.722 19286 1858 1 7 . 1 1 10 10 ARG HA H 10 5.010 5.010 4.545 0.465 19286 1859 1 7 . 1 1 10 10 ARG CA C 10 55.940 55.940 54.366 1.574 19286 1860 1 7 . 1 1 10 10 ARG H H 10 9.620 9.620 7.858 1.762 19286 1861 1 7 . 1 1 11 11 VAL N N 11 125.110 125.110 118.885 6.225 19286 1862 1 7 . 1 1 11 11 VAL HA H 11 4.970 4.970 4.147 0.823 19286 1863 1 7 . 1 1 11 11 VAL H H 11 9.210 9.210 8.271 0.939 19286 1864 1 7 . 1 1 12 12 LEU N N 12 130.050 130.050 128.123 1.927 19286 1865 1 7 . 1 1 12 12 LEU HA H 12 4.780 4.780 4.432 0.348 19286 1866 1 7 . 1 1 12 12 LEU H H 12 8.260 8.260 8.007 0.253 19286 1867 1 7 . 1 1 13 13 VAL N N 13 128.060 128.060 124.866 3.194 19286 1868 1 7 . 1 1 13 13 VAL HA H 13 4.610 4.610 4.407 0.203 19286 1869 1 7 . 1 1 13 13 VAL H H 13 8.330 8.330 8.066 0.264 19286 1870 1 7 . 1 1 14 14 VAL N N 14 128.470 128.470 121.977 6.493 19286 1871 1 7 . 1 1 14 14 VAL HA H 14 4.700 4.700 4.786 -0.086 19286 1872 1 7 . 1 1 14 14 VAL H H 14 8.840 8.840 9.031 -0.191 19286 1873 1 7 . 1 1 15 15 GLU N N 15 124.840 124.840 122.147 2.693 19286 1874 1 7 . 1 1 15 15 GLU HA H 15 4.620 4.620 4.536 0.084 19286 1875 1 7 . 1 1 15 15 GLU H H 15 7.950 7.950 7.996 -0.046 19286 1876 1 7 . 1 1 16 16 ASP N N 16 125.840 125.840 122.796 3.044 19286 1877 1 7 . 1 1 16 16 ASP HA H 16 4.540 4.540 4.264 0.276 19286 1878 1 7 . 1 1 16 16 ASP H H 16 9.360 9.360 8.864 0.496 19286 1879 1 7 . 1 1 17 17 GLU HA H 17 4.290 4.290 4.411 -0.121 19286 1880 1 7 . 1 1 17 17 GLU CA C 17 55.540 55.540 56.207 -0.667 19286 1881 1 7 . 1 1 18 18 SER N N 18 124.990 124.990 115.565 9.425 19286 1882 1 7 . 1 1 18 18 SER HA H 18 4.610 4.610 4.515 0.095 19286 1883 1 7 . 1 1 18 18 SER H H 18 8.820 8.820 8.705 0.115 19286 1884 1 7 . 1 1 19 19 MET N N 19 119.940 119.940 123.106 -3.166 19286 1885 1 7 . 1 1 19 19 MET H H 19 9.030 9.030 8.169 0.861 19286 1886 1 7 . 1 1 20 20 ILE N N 20 118.700 118.700 119.042 -0.342 19286 1887 1 7 . 1 1 20 20 ILE H H 20 7.200 7.200 7.770 -0.570 19286 1888 1 7 . 1 1 21 21 ALA N N 21 123.500 123.500 123.261 0.239 19286 1889 1 7 . 1 1 21 21 ALA CB C 21 18.860 18.860 18.164 0.696 19286 1890 1 7 . 1 1 21 21 ALA H H 21 8.370 8.370 8.051 0.319 19286 1891 1 7 . 1 1 22 22 MET N N 22 115.790 115.790 118.922 -3.132 19286 1892 1 7 . 1 1 22 22 MET HA H 22 4.160 4.160 4.205 -0.045 19286 1893 1 7 . 1 1 22 22 MET CA C 22 58.440 58.440 58.743 -0.303 19286 1894 1 7 . 1 1 22 22 MET H H 22 8.090 8.090 7.657 0.433 19286 1895 1 7 . 1 1 23 23 LEU N N 23 120.400 120.400 119.298 1.102 19286 1896 1 7 . 1 1 23 23 LEU H H 23 7.490 7.490 7.571 -0.081 19286 1897 1 7 . 1 1 24 24 ILE N N 24 120.840 120.840 121.595 -0.755 19286 1898 1 7 . 1 1 24 24 ILE HA H 24 3.520 3.520 4.120 -0.600 19286 1899 1 7 . 1 1 24 24 ILE CA C 24 67.190 67.190 63.802 3.388 19286 1900 1 7 . 1 1 24 24 ILE CB C 24 38.440 38.440 39.158 -0.718 19286 1901 1 7 . 1 1 24 24 ILE H H 24 8.630 8.630 8.675 -0.045 19286 1902 1 7 . 1 1 25 25 GLU N N 25 119.380 119.380 119.610 -0.230 19286 1903 1 7 . 1 1 25 25 GLU H H 25 8.550 8.550 7.967 0.583 19286 1904 1 7 . 1 1 26 26 ASP N N 26 119.700 119.700 117.003 2.697 19286 1905 1 7 . 1 1 26 26 ASP H H 26 8.890 8.890 7.808 1.082 19286 1906 1 7 . 1 1 27 27 THR N N 27 117.460 117.460 114.870 2.590 19286 1907 1 7 . 1 1 27 27 THR HA H 27 4.270 4.270 4.022 0.248 19286 1908 1 7 . 1 1 27 27 THR CA C 27 68.890 68.890 64.981 3.909 19286 1909 1 7 . 1 1 27 27 THR H H 27 8.100 8.100 7.239 0.861 19286 1910 1 7 . 1 1 28 28 LEU N N 28 120.440 120.440 123.471 -3.031 19286 1911 1 7 . 1 1 28 28 LEU HA H 28 3.920 3.920 4.141 -0.221 19286 1912 1 7 . 1 1 28 28 LEU CA C 28 58.440 58.440 58.058 0.382 19286 1913 1 7 . 1 1 28 28 LEU H H 28 8.610 8.610 8.820 -0.210 19286 1914 1 7 . 1 1 29 29 CYS N N 29 116.920 116.920 116.870 0.050 19286 1915 1 7 . 1 1 29 29 CYS H H 29 8.180 8.180 7.870 0.310 19286 1916 1 7 . 1 1 30 30 GLU N N 30 122.820 122.820 119.266 3.554 19286 1917 1 7 . 1 1 30 30 GLU HA H 30 4.160 4.160 4.208 -0.048 19286 1918 1 7 . 1 1 30 30 GLU CA C 30 59.690 59.690 58.268 1.422 19286 1919 1 7 . 1 1 30 30 GLU H H 30 8.060 8.060 7.724 0.336 19286 1920 1 7 . 1 1 31 31 LEU N N 31 116.980 116.980 118.307 -1.327 19286 1921 1 7 . 1 1 31 31 LEU H H 31 7.660 7.660 8.049 -0.389 19286 1922 1 7 . 1 1 32 32 GLY N N 32 105.410 105.410 104.569 0.841 19286 1923 1 7 . 1 1 32 32 GLY H H 32 7.600 7.600 8.303 -0.703 19286 1924 1 7 . 1 1 33 33 HIS N N 33 119.380 119.380 117.930 1.450 19286 1925 1 7 . 1 1 33 33 HIS HA H 33 5.130 5.130 4.212 0.918 19286 1926 1 7 . 1 1 33 33 HIS CA C 33 56.350 56.350 58.108 -1.758 19286 1927 1 7 . 1 1 33 33 HIS CB C 33 33.470 33.470 30.033 3.437 19286 1928 1 7 . 1 1 33 33 HIS H H 33 7.780 7.780 7.636 0.144 19286 1929 1 7 . 1 1 34 34 GLU N N 34 117.930 117.930 121.203 -3.273 19286 1930 1 7 . 1 1 34 34 GLU H H 34 8.870 8.870 8.082 0.788 19286 1931 1 7 . 1 1 35 35 VAL N N 35 125.860 125.860 117.122 8.738 19286 1932 1 7 . 1 1 35 35 VAL HA H 35 4.710 4.710 4.196 0.514 19286 1933 1 7 . 1 1 35 35 VAL H H 35 8.870 8.870 8.149 0.721 19286 1934 1 7 . 1 1 36 36 ALA N N 36 132.950 132.950 129.011 3.939 19286 1935 1 7 . 1 1 36 36 ALA HA H 36 4.200 4.200 4.253 -0.053 19286 1936 1 7 . 1 1 36 36 ALA CB C 36 23.860 23.860 19.565 4.295 19286 1937 1 7 . 1 1 36 36 ALA H H 36 9.110 9.110 8.172 0.938 19286 1938 1 7 . 1 1 37 37 ALA N N 37 115.420 115.420 120.698 -5.278 19286 1939 1 7 . 1 1 37 37 ALA H H 37 7.480 7.480 7.935 -0.455 19286 1940 1 7 . 1 1 38 38 THR N N 38 112.980 112.980 116.194 -3.214 19286 1941 1 7 . 1 1 38 38 THR H H 38 8.170 8.170 8.357 -0.187 19286 1942 1 7 . 1 1 39 39 ALA CB C 39 22.610 22.610 18.937 3.673 19286 1943 1 7 . 1 1 40 40 SER N N 40 113.630 113.630 116.870 -3.240 19286 1944 1 7 . 1 1 40 40 SER HA H 40 4.450 4.450 4.474 -0.024 19286 1945 1 7 . 1 1 40 40 SER CA C 40 57.480 57.480 59.015 -1.535 19286 1946 1 7 . 1 1 40 40 SER H H 40 8.980 8.980 8.682 0.298 19286 1947 1 7 . 1 1 41 41 ARG N N 41 117.890 117.890 127.085 -9.195 19286 1948 1 7 . 1 1 41 41 ARG CB C 41 34.110 34.110 32.916 1.194 19286 1949 1 7 . 1 1 41 41 ARG H H 41 7.340 7.340 7.998 -0.658 19286 1950 1 7 . 1 1 42 42 MET N N 42 123.460 123.460 124.490 -1.030 19286 1951 1 7 . 1 1 42 42 MET HA H 42 4.040 4.040 3.544 0.496 19286 1952 1 7 . 1 1 42 42 MET H H 42 9.340 9.340 8.641 0.699 19286 1953 1 7 . 1 1 43 43 GLN N N 43 117.010 117.010 119.697 -2.687 19286 1954 1 7 . 1 1 43 43 GLN H H 43 8.940 8.940 8.277 0.663 19286 1955 1 7 . 1 1 44 44 GLU N N 44 117.430 117.430 119.295 -1.865 19286 1956 1 7 . 1 1 44 44 GLU CB C 44 26.690 26.690 28.994 -2.304 19286 1957 1 7 . 1 1 44 44 GLU H H 44 7.160 7.160 8.591 -1.431 19286 1958 1 7 . 1 1 45 45 ALA N N 45 121.060 121.060 121.234 -0.174 19286 1959 1 7 . 1 1 45 45 ALA HA H 45 3.680 3.680 4.104 -0.424 19286 1960 1 7 . 1 1 45 45 ALA CA C 45 55.940 55.940 55.214 0.726 19286 1961 1 7 . 1 1 45 45 ALA CB C 45 20.940 20.940 18.451 2.489 19286 1962 1 7 . 1 1 45 45 ALA H H 45 8.220 8.220 7.711 0.509 19286 1963 1 7 . 1 1 46 46 LEU N N 46 116.750 116.750 118.830 -2.080 19286 1964 1 7 . 1 1 46 46 LEU H H 46 8.350 8.350 7.747 0.603 19286 1965 1 7 . 1 1 47 47 ASP N N 47 117.760 117.760 118.755 -0.995 19286 1966 1 7 . 1 1 47 47 ASP H H 47 7.400 7.400 8.038 -0.638 19286 1967 1 7 . 1 1 48 48 ILE N N 48 118.660 118.660 114.424 4.236 19286 1968 1 7 . 1 1 48 48 ILE H H 48 8.220 8.220 7.920 0.300 19286 1969 1 7 . 1 1 49 49 ALA N N 49 123.150 123.150 124.322 -1.172 19286 1970 1 7 . 1 1 49 49 ALA HA H 49 4.040 4.040 3.864 0.176 19286 1971 1 7 . 1 1 49 49 ALA CA C 49 55.940 55.940 53.562 2.378 19286 1972 1 7 . 1 1 49 49 ALA CB C 49 18.120 18.120 19.501 -1.381 19286 1973 1 7 . 1 1 49 49 ALA H H 49 8.610 8.610 7.235 1.375 19286 1974 1 7 . 1 1 50 50 ARG N N 50 113.110 113.110 119.102 -5.992 19286 1975 1 7 . 1 1 50 50 ARG CB C 50 26.570 26.570 29.458 -2.888 19286 1976 1 7 . 1 1 50 50 ARG H H 50 7.440 7.440 7.717 -0.277 19286 1977 1 7 . 1 1 51 51 LYS N N 51 114.910 114.910 117.899 -2.989 19286 1978 1 7 . 1 1 51 51 LYS H H 51 7.550 7.550 7.846 -0.296 19286 1979 1 7 . 1 1 52 52 GLY N N 52 108.150 108.150 106.317 1.833 19286 1980 1 7 . 1 1 52 52 GLY H H 52 8.920 8.920 7.587 1.333 19286 1981 1 7 . 1 1 53 53 GLN N N 53 120.450 120.450 117.442 3.008 19286 1982 1 7 . 1 1 53 53 GLN H H 53 8.320 8.320 7.954 0.366 19286 1983 1 7 . 1 1 54 54 PHE N N 54 119.090 119.090 117.593 1.497 19286 1984 1 7 . 1 1 54 54 PHE H H 54 7.180 7.180 8.289 -1.109 19286 1985 1 7 . 1 1 55 55 ASP N N 55 117.290 117.290 118.015 -0.725 19286 1986 1 7 . 1 1 55 55 ASP H H 55 9.330 9.330 8.620 0.710 19286 1987 1 7 . 1 1 56 56 ILE N N 56 109.550 109.550 116.478 -6.928 19286 1988 1 7 . 1 1 56 56 ILE HA H 56 5.220 5.220 4.144 1.076 19286 1989 1 7 . 1 1 56 56 ILE CA C 56 59.690 59.690 59.377 0.313 19286 1990 1 7 . 1 1 56 56 ILE H H 56 7.690 7.690 6.992 0.698 19286 1991 1 7 . 1 1 57 57 ALA N N 57 122.390 122.390 123.057 -0.667 19286 1992 1 7 . 1 1 57 57 ALA HA H 57 5.480 5.480 5.514 -0.034 19286 1993 1 7 . 1 1 57 57 ALA CA C 57 50.940 50.940 51.169 -0.229 19286 1994 1 7 . 1 1 57 57 ALA H H 57 8.000 8.000 8.138 -0.138 19286 1995 1 7 . 1 1 59 59 ILE N N 59 122.950 122.950 128.832 -5.882 19286 1996 1 7 . 1 1 59 59 ILE HA H 59 4.990 4.990 4.517 0.473 19286 1997 1 7 . 1 1 59 59 ILE CA C 59 57.190 57.190 59.800 -2.610 19286 1998 1 7 . 1 1 59 59 ILE H H 59 8.930 8.930 7.625 1.306 19286 1999 1 7 . 1 1 60 60 ASP N N 60 127.320 127.320 121.917 5.403 19286 2000 1 7 . 1 1 60 60 ASP HA H 60 5.100 5.100 4.362 0.738 19286 2001 1 7 . 1 1 60 60 ASP CA C 60 55.100 55.100 53.808 1.292 19286 2002 1 7 . 1 1 60 60 ASP H H 60 8.360 8.360 7.450 0.910 19286 2003 1 7 . 1 1 61 61 VAL N N 61 121.040 121.040 118.384 2.656 19286 2004 1 7 . 1 1 61 61 VAL HA H 61 3.700 3.700 3.780 -0.080 19286 2005 1 7 . 1 1 61 61 VAL CA C 61 64.630 64.630 63.665 0.965 19286 2006 1 7 . 1 1 61 61 VAL CB C 61 31.590 31.590 30.634 0.956 19286 2007 1 7 . 1 1 61 61 VAL H H 61 8.540 8.540 8.538 0.002 19286 2008 1 7 . 1 1 63 63 LEU N N 63 121.830 121.830 120.539 1.291 19286 2009 1 7 . 1 1 63 63 LEU HA H 63 4.400 4.400 4.631 -0.231 19286 2010 1 7 . 1 1 63 63 LEU CA C 63 52.810 52.810 54.185 -1.375 19286 2011 1 7 . 1 1 63 63 LEU H H 63 8.960 8.960 7.421 1.539 19286 2012 1 7 . 1 1 64 64 ASP N N 64 128.450 128.450 120.817 7.633 19286 2013 1 7 . 1 1 64 64 ASP HA H 64 4.290 4.290 4.337 -0.047 19286 2014 1 7 . 1 1 64 64 ASP CA C 64 55.940 55.940 55.565 0.375 19286 2015 1 7 . 1 1 64 64 ASP CB C 64 40.390 40.390 40.225 0.165 19286 2016 1 7 . 1 1 64 64 ASP H H 64 9.840 9.840 8.999 0.841 19286 2017 1 7 . 1 1 65 65 GLY N N 65 133.580 133.580 102.898 30.682 19286 2018 1 7 . 1 1 65 65 GLY H H 65 8.400 8.400 8.059 0.341 19286 2019 1 7 . 1 1 66 66 GLU N N 66 121.110 121.110 119.001 2.109 19286 2020 1 7 . 1 1 66 66 GLU HA H 66 4.920 4.920 4.047 0.873 19286 2021 1 7 . 1 1 66 66 GLU CA C 66 53.100 53.100 56.427 -3.327 19286 2022 1 7 . 1 1 66 66 GLU H H 66 7.790 7.790 8.045 -0.255 19286 2023 1 7 . 1 1 69 69 TYR N N 69 120.020 120.020 116.182 3.838 19286 2024 1 7 . 1 1 69 69 TYR HA H 69 4.410 4.410 4.168 0.242 19286 2025 1 7 . 1 1 69 69 TYR CA C 69 60.970 60.970 57.140 3.830 19286 2026 1 7 . 1 1 69 69 TYR H H 69 6.480 6.480 7.410 -0.930 19286 2027 1 7 . 1 1 71 71 VAL N N 71 115.000 115.000 121.734 -6.734 19286 2028 1 7 . 1 1 71 71 VAL H H 71 7.640 7.640 7.682 -0.042 19286 2029 1 7 . 1 1 72 72 ALA N N 72 122.000 122.000 122.594 -0.594 19286 2030 1 7 . 1 1 72 72 ALA CB C 72 20.110 20.110 17.852 2.258 19286 2031 1 7 . 1 1 72 72 ALA H H 72 6.890 6.890 7.953 -1.063 19286 2032 1 7 . 1 1 73 73 ASP N N 73 116.020 116.020 118.328 -2.308 19286 2033 1 7 . 1 1 73 73 ASP H H 73 8.610 8.610 7.501 1.109 19286 2034 1 7 . 1 1 74 74 ILE N N 74 120.950 120.950 122.197 -1.247 19286 2035 1 7 . 1 1 74 74 ILE H H 74 7.060 7.060 7.836 -0.776 19286 2036 1 7 . 1 1 75 75 LEU N N 75 119.760 119.760 119.218 0.542 19286 2037 1 7 . 1 1 75 75 LEU H H 75 7.460 7.460 8.689 -1.229 19286 2038 1 7 . 1 1 76 76 ALA N N 76 121.160 121.160 121.296 -0.136 19286 2039 1 7 . 1 1 76 76 ALA H H 76 8.910 8.910 7.948 0.962 19286 2040 1 7 . 1 1 77 77 GLU N N 77 120.340 120.340 118.993 1.347 19286 2041 1 7 . 1 1 77 77 GLU H H 77 7.800 7.800 7.845 -0.045 19286 2042 1 7 . 1 1 78 78 ARG N N 78 116.210 116.210 116.450 -0.240 19286 2043 1 7 . 1 1 78 78 ARG H H 78 7.740 7.740 7.393 0.347 19286 2044 1 7 . 1 1 79 79 ASN N N 79 116.230 116.230 119.835 -3.605 19286 2045 1 7 . 1 1 79 79 ASN H H 79 8.030 8.030 8.233 -0.203 19286 2046 1 7 . 1 1 80 80 VAL N N 80 121.200 121.200 122.677 -1.477 19286 2047 1 7 . 1 1 80 80 VAL H H 80 8.200 8.200 7.825 0.375 19286 2048 1 7 . 1 1 82 82 PHE N N 82 113.440 113.440 120.416 -6.976 19286 2049 1 7 . 1 1 82 82 PHE HA H 82 5.690 5.690 5.151 0.539 19286 2050 1 7 . 1 1 82 82 PHE CA C 82 55.480 55.480 56.118 -0.638 19286 2051 1 7 . 1 1 82 82 PHE CB C 82 43.610 43.610 40.517 3.093 19286 2052 1 7 . 1 1 82 82 PHE H H 82 7.310 7.310 7.876 -0.566 19286 2053 1 7 . 1 1 83 83 ILE N N 83 115.230 115.230 118.129 -2.899 19286 2054 1 7 . 1 1 83 83 ILE HA H 83 4.260 4.260 3.517 0.743 19286 2055 1 7 . 1 1 83 83 ILE CA C 83 59.690 59.690 61.200 -1.510 19286 2056 1 7 . 1 1 83 83 ILE H H 83 7.880 7.880 7.567 0.313 19286 2057 1 7 . 1 1 84 84 PHE N N 84 122.680 122.680 123.927 -1.247 19286 2058 1 7 . 1 1 84 84 PHE HA H 84 6.190 6.190 5.039 1.151 19286 2059 1 7 . 1 1 84 84 PHE CA C 84 55.470 55.470 57.229 -1.759 19286 2060 1 7 . 1 1 84 84 PHE H H 84 8.360 8.360 8.517 -0.157 19286 2061 1 7 . 1 1 85 85 ALA N N 85 123.760 123.760 124.523 -0.763 19286 2062 1 7 . 1 1 85 85 ALA HA H 85 5.540 5.540 5.306 0.234 19286 2063 1 7 . 1 1 85 85 ALA CA C 85 50.940 50.940 52.323 -1.383 19286 2064 1 7 . 1 1 85 85 ALA H H 85 8.570 8.570 7.920 0.650 19286 2065 1 7 . 1 1 86 86 THR N N 86 114.260 114.260 115.967 -1.707 19286 2066 1 7 . 1 1 86 86 THR HA H 86 4.290 4.290 4.713 -0.423 19286 2067 1 7 . 1 1 86 86 THR CA C 86 56.720 56.720 60.710 -3.990 19286 2068 1 7 . 1 1 86 86 THR CB C 86 69.610 69.610 70.931 -1.321 19286 2069 1 7 . 1 1 86 86 THR H H 86 8.640 8.640 8.733 -0.093 19286 2070 1 7 . 1 1 87 87 GLY N N 87 112.830 112.830 109.044 3.786 19286 2071 1 7 . 1 1 87 87 GLY H H 87 8.590 8.590 8.731 -0.141 19286 2072 1 7 . 1 1 89 89 GLY N N 89 111.750 111.750 110.082 1.668 19286 2073 1 7 . 1 1 89 89 GLY H H 89 8.300 8.300 8.252 0.048 19286 2074 1 7 . 1 1 90 90 SER CA C 90 57.970 57.970 59.063 -1.093 19286 2075 1 7 . 1 1 90 90 SER H H 90 4.990 4.990 7.444 -2.454 19286 2076 1 7 . 1 1 91 91 LYS N N 91 122.950 122.950 121.393 1.557 19286 2077 1 7 . 1 1 91 91 LYS H H 91 8.180 8.180 8.676 -0.496 19286 2078 1 7 . 1 1 92 92 GLY N N 92 109.390 109.390 107.527 1.863 19286 2079 1 7 . 1 1 92 92 GLY H H 92 8.320 8.320 8.249 0.071 19286 2080 1 7 . 1 1 93 93 LEU N N 93 121.760 121.760 117.829 3.931 19286 2081 1 7 . 1 1 93 93 LEU CB C 93 42.970 42.970 41.520 1.450 19286 2082 1 7 . 1 1 93 93 LEU H H 93 7.910 7.910 7.552 0.358 19286 2083 1 7 . 1 1 94 94 ASP N N 94 122.710 122.710 119.375 3.335 19286 2084 1 7 . 1 1 94 94 ASP H H 94 7.650 7.650 8.152 -0.502 19286 2085 1 7 . 1 1 95 95 THR N N 95 117.650 117.650 112.052 5.598 19286 2086 1 7 . 1 1 95 95 THR H H 95 8.210 8.210 8.064 0.146 19286 2087 1 7 . 1 1 96 96 ARG N N 96 122.360 122.360 119.846 2.514 19286 2088 1 7 . 1 1 96 96 ARG H H 96 8.700 8.700 8.961 -0.261 19286 2089 1 7 . 1 1 97 97 TYR N N 97 117.080 117.080 119.374 -2.294 19286 2090 1 7 . 1 1 97 97 TYR CB C 97 39.220 39.220 39.094 0.126 19286 2091 1 7 . 1 1 97 97 TYR H H 97 8.000 8.000 7.847 0.153 19286 2092 1 7 . 1 1 98 98 SER N N 98 114.730 114.730 111.066 3.664 19286 2093 1 7 . 1 1 98 98 SER H H 98 7.580 7.580 8.251 -0.671 19286 2094 1 7 . 1 1 99 99 ASN N N 99 117.230 117.230 117.536 -0.306 19286 2095 1 7 . 1 1 99 99 ASN H H 99 8.600 8.600 8.470 0.130 19286 2096 1 7 . 1 1 100 100 ILE N N 100 124.250 124.250 116.328 7.922 19286 2097 1 7 . 1 1 100 100 ILE H H 100 7.520 7.520 7.814 -0.294 19286 2098 1 7 . 1 1 102 102 LEU N N 102 121.060 121.060 119.830 1.230 19286 2099 1 7 . 1 1 102 102 LEU H H 102 7.870 7.870 7.645 0.225 19286 2100 1 7 . 1 1 103 103 LEU N N 103 126.970 126.970 122.633 4.337 19286 2101 1 7 . 1 1 103 103 LEU HA H 103 4.620 4.620 4.627 -0.007 19286 2102 1 7 . 1 1 103 103 LEU CA C 103 54.690 54.690 53.857 0.833 19286 2103 1 7 . 1 1 103 103 LEU H H 103 9.080 9.080 8.012 1.068 19286 2104 1 7 . 1 1 104 104 THR N N 104 118.430 118.430 113.524 4.906 19286 2105 1 7 . 1 1 104 104 THR HA H 104 4.760 4.760 4.513 0.247 19286 2106 1 7 . 1 1 104 104 THR CA C 104 63.440 63.440 61.145 2.295 19286 2107 1 7 . 1 1 104 104 THR H H 104 8.430 8.430 8.575 -0.145 19286 2108 1 7 . 1 1 105 105 LYS N N 105 122.030 122.030 120.154 1.876 19286 2109 1 7 . 1 1 105 105 LYS HA H 105 4.290 4.290 4.114 0.176 19286 2110 1 7 . 1 1 105 105 LYS CA C 105 54.690 54.690 56.853 -2.163 19286 2111 1 7 . 1 1 105 105 LYS H H 105 8.170 8.170 8.137 0.033 19286 2112 1 7 . 1 1 107 107 PHE N N 107 118.490 118.490 115.595 2.895 19286 2113 1 7 . 1 1 107 107 PHE H H 107 7.470 7.470 8.102 -0.632 19286 2114 1 7 . 1 1 109 109 ASP N N 109 124.810 124.810 119.575 5.235 19286 2115 1 7 . 1 1 109 109 ASP HA H 109 4.710 4.710 4.311 0.399 19286 2116 1 7 . 1 1 109 109 ASP H H 109 9.130 9.130 8.901 0.229 19286 2117 1 7 . 1 1 110 110 SER HA H 110 4.270 4.270 4.347 -0.077 19286 2118 1 7 . 1 1 110 110 SER CA C 110 59.690 59.690 59.286 0.404 19286 2119 1 7 . 1 1 111 111 GLU N N 111 123.780 123.780 121.233 2.547 19286 2120 1 7 . 1 1 111 111 GLU HA H 111 4.060 4.060 3.854 0.206 19286 2121 1 7 . 1 1 111 111 GLU CA C 111 58.440 58.440 60.240 -1.800 19286 2122 1 7 . 1 1 111 111 GLU H H 111 7.410 7.410 8.317 -0.907 19286 2123 1 7 . 1 1 112 112 LEU N N 112 120.180 120.180 118.386 1.794 19286 2124 1 7 . 1 1 112 112 LEU HA H 112 3.900 3.900 3.884 0.016 19286 2125 1 7 . 1 1 112 112 LEU CA C 112 58.440 58.440 57.584 0.856 19286 2126 1 7 . 1 1 112 112 LEU H H 112 7.670 7.670 7.935 -0.265 19286 2127 1 7 . 1 1 113 113 GLU N N 113 118.380 118.380 118.522 -0.142 19286 2128 1 7 . 1 1 113 113 GLU HA H 113 3.730 3.730 3.858 -0.128 19286 2129 1 7 . 1 1 113 113 GLU CA C 113 60.940 60.940 59.390 1.550 19286 2130 1 7 . 1 1 113 113 GLU H H 113 8.530 8.530 8.279 0.251 19286 2131 1 7 . 1 1 114 114 ALA N N 114 117.790 117.790 119.774 -1.984 19286 2132 1 7 . 1 1 114 114 ALA HA H 114 4.140 4.140 4.064 0.076 19286 2133 1 7 . 1 1 114 114 ALA CA C 114 55.540 55.540 54.893 0.647 19286 2134 1 7 . 1 1 114 114 ALA CB C 114 18.440 18.440 18.847 -0.407 19286 2135 1 7 . 1 1 114 114 ALA H H 114 7.480 7.480 8.120 -0.640 19286 2136 1 7 . 1 1 115 115 VAL N N 115 116.000 116.000 114.540 1.460 19286 2137 1 7 . 1 1 115 115 VAL HA H 115 4.030 4.030 4.167 -0.137 19286 2138 1 7 . 1 1 115 115 VAL CA C 115 65.940 65.940 64.058 1.883 19286 2139 1 7 . 1 1 115 115 VAL H H 115 7.540 7.540 7.337 0.203 19286 2140 1 7 . 1 1 116 116 LEU HA H 116 4.280 4.280 4.221 0.059 19286 2141 1 7 . 1 1 116 116 LEU CA C 116 57.570 57.570 56.962 0.608 19286 2142 1 7 . 1 1 117 117 VAL N N 117 119.140 119.140 117.704 1.436 19286 2143 1 7 . 1 1 117 117 VAL H H 117 8.200 8.200 7.363 0.837 19286 2144 1 7 . 1 1 120 120 SER N N 120 115.730 115.730 114.833 0.897 19286 2145 1 7 . 1 1 120 120 SER H H 120 7.780 7.780 7.091 0.689 19286 2146 1 7 . 1 1 121 121 LYS N N 121 120.870 120.870 118.809 2.061 19286 2147 1 7 . 1 1 121 121 LYS H H 121 7.540 7.540 8.495 -0.955 19286 2148 1 7 . 1 1 122 122 GLU N N 122 120.160 120.160 119.284 0.876 19286 2149 1 7 . 1 1 122 122 GLU H H 122 8.140 8.140 8.327 -0.187 19286 2150 1 8 . 1 1 4 4 MET N N 4 121.520 121.520 118.122 3.398 19286 2151 1 8 . 1 1 4 4 MET H H 4 8.450 8.450 8.117 0.333 19286 2152 1 8 . 1 1 5 5 THR N N 5 115.270 115.270 111.102 4.168 19286 2153 1 8 . 1 1 5 5 THR H H 5 8.090 8.090 8.223 -0.133 19286 2154 1 8 . 1 1 6 6 GLU N N 6 123.580 123.580 119.717 3.863 19286 2155 1 8 . 1 1 6 6 GLU H H 6 8.430 8.430 8.480 -0.050 19286 2156 1 8 . 1 1 7 7 ARG N N 7 120.850 120.850 117.580 3.270 19286 2157 1 8 . 1 1 7 7 ARG H H 7 8.030 8.030 7.885 0.145 19286 2158 1 8 . 1 1 8 8 ARG N N 8 125.410 125.410 121.012 4.398 19286 2159 1 8 . 1 1 8 8 ARG HA H 8 4.370 4.370 4.714 -0.344 19286 2160 1 8 . 1 1 8 8 ARG H H 8 8.310 8.310 8.484 -0.174 19286 2161 1 8 . 1 1 9 9 LEU N N 9 130.330 130.330 118.544 11.786 19286 2162 1 8 . 1 1 9 9 LEU HA H 9 4.610 4.610 3.922 0.688 19286 2163 1 8 . 1 1 9 9 LEU H H 9 11.100 11.100 7.506 3.594 19286 2164 1 8 . 1 1 10 10 ARG N N 10 121.420 121.420 116.501 4.919 19286 2165 1 8 . 1 1 10 10 ARG HA H 10 5.010 5.010 4.243 0.767 19286 2166 1 8 . 1 1 10 10 ARG CA C 10 55.940 55.940 53.499 2.441 19286 2167 1 8 . 1 1 10 10 ARG H H 10 9.620 9.620 7.928 1.692 19286 2168 1 8 . 1 1 11 11 VAL N N 11 125.110 125.110 118.116 6.994 19286 2169 1 8 . 1 1 11 11 VAL HA H 11 4.970 4.970 4.603 0.367 19286 2170 1 8 . 1 1 11 11 VAL H H 11 9.210 9.210 8.474 0.736 19286 2171 1 8 . 1 1 12 12 LEU N N 12 130.050 130.050 128.364 1.686 19286 2172 1 8 . 1 1 12 12 LEU HA H 12 4.780 4.780 4.572 0.208 19286 2173 1 8 . 1 1 12 12 LEU H H 12 8.260 8.260 8.136 0.124 19286 2174 1 8 . 1 1 13 13 VAL N N 13 128.060 128.060 124.341 3.719 19286 2175 1 8 . 1 1 13 13 VAL HA H 13 4.610 4.610 4.386 0.224 19286 2176 1 8 . 1 1 13 13 VAL H H 13 8.330 8.330 7.993 0.337 19286 2177 1 8 . 1 1 14 14 VAL N N 14 128.470 128.470 118.077 10.393 19286 2178 1 8 . 1 1 14 14 VAL HA H 14 4.700 4.700 4.747 -0.047 19286 2179 1 8 . 1 1 14 14 VAL H H 14 8.840 8.840 8.490 0.350 19286 2180 1 8 . 1 1 15 15 GLU N N 15 124.840 124.840 123.504 1.336 19286 2181 1 8 . 1 1 15 15 GLU HA H 15 4.620 4.620 4.689 -0.069 19286 2182 1 8 . 1 1 15 15 GLU H H 15 7.950 7.950 8.276 -0.326 19286 2183 1 8 . 1 1 16 16 ASP N N 16 125.840 125.840 121.438 4.402 19286 2184 1 8 . 1 1 16 16 ASP HA H 16 4.540 4.540 4.233 0.307 19286 2185 1 8 . 1 1 16 16 ASP H H 16 9.360 9.360 8.868 0.492 19286 2186 1 8 . 1 1 17 17 GLU HA H 17 4.290 4.290 4.486 -0.196 19286 2187 1 8 . 1 1 17 17 GLU CA C 17 55.540 55.540 55.609 -0.069 19286 2188 1 8 . 1 1 18 18 SER N N 18 124.990 124.990 115.726 9.264 19286 2189 1 8 . 1 1 18 18 SER HA H 18 4.610 4.610 4.315 0.295 19286 2190 1 8 . 1 1 18 18 SER H H 18 8.820 8.820 8.787 0.033 19286 2191 1 8 . 1 1 19 19 MET N N 19 119.940 119.940 119.803 0.137 19286 2192 1 8 . 1 1 19 19 MET H H 19 9.030 9.030 8.086 0.944 19286 2193 1 8 . 1 1 20 20 ILE N N 20 118.700 118.700 118.045 0.655 19286 2194 1 8 . 1 1 20 20 ILE H H 20 7.200 7.200 7.478 -0.278 19286 2195 1 8 . 1 1 21 21 ALA N N 21 123.500 123.500 124.122 -0.622 19286 2196 1 8 . 1 1 21 21 ALA CB C 21 18.860 18.860 18.117 0.743 19286 2197 1 8 . 1 1 21 21 ALA H H 21 8.370 8.370 7.463 0.907 19286 2198 1 8 . 1 1 22 22 MET N N 22 115.790 115.790 119.638 -3.848 19286 2199 1 8 . 1 1 22 22 MET HA H 22 4.160 4.160 4.204 -0.044 19286 2200 1 8 . 1 1 22 22 MET CA C 22 58.440 58.440 58.441 -0.001 19286 2201 1 8 . 1 1 22 22 MET H H 22 8.090 8.090 8.114 -0.024 19286 2202 1 8 . 1 1 23 23 LEU N N 23 120.400 120.400 119.149 1.251 19286 2203 1 8 . 1 1 23 23 LEU H H 23 7.490 7.490 7.966 -0.476 19286 2204 1 8 . 1 1 24 24 ILE N N 24 120.840 120.840 119.282 1.558 19286 2205 1 8 . 1 1 24 24 ILE HA H 24 3.520 3.520 4.089 -0.569 19286 2206 1 8 . 1 1 24 24 ILE CA C 24 67.190 67.190 63.431 3.759 19286 2207 1 8 . 1 1 24 24 ILE CB C 24 38.440 38.440 39.501 -1.061 19286 2208 1 8 . 1 1 24 24 ILE H H 24 8.630 8.630 8.617 0.013 19286 2209 1 8 . 1 1 25 25 GLU N N 25 119.380 119.380 120.244 -0.864 19286 2210 1 8 . 1 1 25 25 GLU H H 25 8.550 8.550 7.848 0.702 19286 2211 1 8 . 1 1 26 26 ASP N N 26 119.700 119.700 117.124 2.576 19286 2212 1 8 . 1 1 26 26 ASP H H 26 8.890 8.890 7.805 1.085 19286 2213 1 8 . 1 1 27 27 THR N N 27 117.460 117.460 115.522 1.938 19286 2214 1 8 . 1 1 27 27 THR HA H 27 4.270 4.270 3.973 0.297 19286 2215 1 8 . 1 1 27 27 THR CA C 27 68.890 68.890 65.347 3.543 19286 2216 1 8 . 1 1 27 27 THR H H 27 8.100 8.100 7.130 0.970 19286 2217 1 8 . 1 1 28 28 LEU N N 28 120.440 120.440 123.193 -2.753 19286 2218 1 8 . 1 1 28 28 LEU HA H 28 3.920 3.920 4.007 -0.087 19286 2219 1 8 . 1 1 28 28 LEU CA C 28 58.440 58.440 57.735 0.705 19286 2220 1 8 . 1 1 28 28 LEU H H 28 8.610 8.610 8.955 -0.345 19286 2221 1 8 . 1 1 29 29 CYS N N 29 116.920 116.920 115.927 0.993 19286 2222 1 8 . 1 1 29 29 CYS H H 29 8.180 8.180 7.865 0.315 19286 2223 1 8 . 1 1 30 30 GLU N N 30 122.820 122.820 119.919 2.901 19286 2224 1 8 . 1 1 30 30 GLU HA H 30 4.160 4.160 4.189 -0.029 19286 2225 1 8 . 1 1 30 30 GLU CA C 30 59.690 59.690 58.652 1.038 19286 2226 1 8 . 1 1 30 30 GLU H H 30 8.060 8.060 7.701 0.359 19286 2227 1 8 . 1 1 31 31 LEU N N 31 116.980 116.980 118.312 -1.332 19286 2228 1 8 . 1 1 31 31 LEU H H 31 7.660 7.660 7.680 -0.020 19286 2229 1 8 . 1 1 32 32 GLY N N 32 105.410 105.410 104.918 0.492 19286 2230 1 8 . 1 1 32 32 GLY H H 32 7.600 7.600 8.377 -0.777 19286 2231 1 8 . 1 1 33 33 HIS N N 33 119.380 119.380 117.518 1.862 19286 2232 1 8 . 1 1 33 33 HIS HA H 33 5.130 5.130 4.391 0.739 19286 2233 1 8 . 1 1 33 33 HIS CA C 33 56.350 56.350 57.141 -0.791 19286 2234 1 8 . 1 1 33 33 HIS CB C 33 33.470 33.470 30.227 3.243 19286 2235 1 8 . 1 1 33 33 HIS H H 33 7.780 7.780 7.691 0.089 19286 2236 1 8 . 1 1 34 34 GLU N N 34 117.930 117.930 120.958 -3.028 19286 2237 1 8 . 1 1 34 34 GLU H H 34 8.870 8.870 8.323 0.547 19286 2238 1 8 . 1 1 35 35 VAL N N 35 125.860 125.860 116.762 9.098 19286 2239 1 8 . 1 1 35 35 VAL HA H 35 4.710 4.710 4.205 0.505 19286 2240 1 8 . 1 1 35 35 VAL H H 35 8.870 8.870 7.919 0.951 19286 2241 1 8 . 1 1 36 36 ALA N N 36 132.950 132.950 130.157 2.793 19286 2242 1 8 . 1 1 36 36 ALA HA H 36 4.200 4.200 4.913 -0.713 19286 2243 1 8 . 1 1 36 36 ALA CB C 36 23.860 23.860 21.239 2.621 19286 2244 1 8 . 1 1 36 36 ALA H H 36 9.110 9.110 8.252 0.858 19286 2245 1 8 . 1 1 37 37 ALA N N 37 115.420 115.420 121.810 -6.390 19286 2246 1 8 . 1 1 37 37 ALA H H 37 7.480 7.480 8.021 -0.541 19286 2247 1 8 . 1 1 38 38 THR N N 38 112.980 112.980 111.862 1.118 19286 2248 1 8 . 1 1 38 38 THR H H 38 8.170 8.170 8.108 0.062 19286 2249 1 8 . 1 1 39 39 ALA CB C 39 22.610 22.610 18.959 3.651 19286 2250 1 8 . 1 1 40 40 SER N N 40 113.630 113.630 116.204 -2.574 19286 2251 1 8 . 1 1 40 40 SER HA H 40 4.450 4.450 4.374 0.076 19286 2252 1 8 . 1 1 40 40 SER CA C 40 57.480 57.480 58.932 -1.452 19286 2253 1 8 . 1 1 40 40 SER H H 40 8.980 8.980 8.555 0.425 19286 2254 1 8 . 1 1 41 41 ARG N N 41 117.890 117.890 127.594 -9.704 19286 2255 1 8 . 1 1 41 41 ARG CB C 41 34.110 34.110 32.834 1.276 19286 2256 1 8 . 1 1 41 41 ARG H H 41 7.340 7.340 8.277 -0.937 19286 2257 1 8 . 1 1 42 42 MET N N 42 123.460 123.460 125.117 -1.657 19286 2258 1 8 . 1 1 42 42 MET HA H 42 4.040 4.040 3.697 0.343 19286 2259 1 8 . 1 1 42 42 MET H H 42 9.340 9.340 8.937 0.403 19286 2260 1 8 . 1 1 43 43 GLN N N 43 117.010 117.010 119.684 -2.674 19286 2261 1 8 . 1 1 43 43 GLN H H 43 8.940 8.940 8.452 0.488 19286 2262 1 8 . 1 1 44 44 GLU N N 44 117.430 117.430 118.946 -1.516 19286 2263 1 8 . 1 1 44 44 GLU CB C 44 26.690 26.690 29.424 -2.733 19286 2264 1 8 . 1 1 44 44 GLU H H 44 7.160 7.160 8.441 -1.281 19286 2265 1 8 . 1 1 45 45 ALA N N 45 121.060 121.060 122.435 -1.375 19286 2266 1 8 . 1 1 45 45 ALA HA H 45 3.680 3.680 4.027 -0.347 19286 2267 1 8 . 1 1 45 45 ALA CA C 45 55.940 55.940 55.291 0.649 19286 2268 1 8 . 1 1 45 45 ALA CB C 45 20.940 20.940 18.478 2.462 19286 2269 1 8 . 1 1 45 45 ALA H H 45 8.220 8.220 8.470 -0.249 19286 2270 1 8 . 1 1 46 46 LEU N N 46 116.750 116.750 117.914 -1.164 19286 2271 1 8 . 1 1 46 46 LEU H H 46 8.350 8.350 7.580 0.770 19286 2272 1 8 . 1 1 47 47 ASP N N 47 117.760 117.760 119.916 -2.156 19286 2273 1 8 . 1 1 47 47 ASP H H 47 7.400 7.400 8.166 -0.766 19286 2274 1 8 . 1 1 48 48 ILE N N 48 118.660 118.660 114.999 3.661 19286 2275 1 8 . 1 1 48 48 ILE H H 48 8.220 8.220 7.646 0.574 19286 2276 1 8 . 1 1 49 49 ALA N N 49 123.150 123.150 123.607 -0.457 19286 2277 1 8 . 1 1 49 49 ALA HA H 49 4.040 4.040 4.009 0.031 19286 2278 1 8 . 1 1 49 49 ALA CA C 49 55.940 55.940 53.712 2.228 19286 2279 1 8 . 1 1 49 49 ALA CB C 49 18.120 18.120 19.052 -0.932 19286 2280 1 8 . 1 1 49 49 ALA H H 49 8.610 8.610 7.172 1.438 19286 2281 1 8 . 1 1 50 50 ARG N N 50 113.110 113.110 118.505 -5.395 19286 2282 1 8 . 1 1 50 50 ARG CB C 50 26.570 26.570 29.974 -3.404 19286 2283 1 8 . 1 1 50 50 ARG H H 50 7.440 7.440 8.467 -1.027 19286 2284 1 8 . 1 1 51 51 LYS N N 51 114.910 114.910 117.693 -2.783 19286 2285 1 8 . 1 1 51 51 LYS H H 51 7.550 7.550 7.728 -0.178 19286 2286 1 8 . 1 1 52 52 GLY N N 52 108.150 108.150 107.217 0.933 19286 2287 1 8 . 1 1 52 52 GLY H H 52 8.920 8.920 8.191 0.729 19286 2288 1 8 . 1 1 53 53 GLN N N 53 120.450 120.450 123.606 -3.156 19286 2289 1 8 . 1 1 53 53 GLN H H 53 8.320 8.320 8.347 -0.027 19286 2290 1 8 . 1 1 54 54 PHE N N 54 119.090 119.090 115.413 3.677 19286 2291 1 8 . 1 1 54 54 PHE H H 54 7.180 7.180 7.466 -0.286 19286 2292 1 8 . 1 1 55 55 ASP N N 55 117.290 117.290 119.988 -2.698 19286 2293 1 8 . 1 1 55 55 ASP H H 55 9.330 9.330 8.057 1.273 19286 2294 1 8 . 1 1 56 56 ILE N N 56 109.550 109.550 117.483 -7.933 19286 2295 1 8 . 1 1 56 56 ILE HA H 56 5.220 5.220 4.436 0.784 19286 2296 1 8 . 1 1 56 56 ILE CA C 56 59.690 59.690 60.052 -0.362 19286 2297 1 8 . 1 1 56 56 ILE H H 56 7.690 7.690 8.276 -0.586 19286 2298 1 8 . 1 1 57 57 ALA N N 57 122.390 122.390 124.661 -2.271 19286 2299 1 8 . 1 1 57 57 ALA HA H 57 5.480 5.480 5.727 -0.247 19286 2300 1 8 . 1 1 57 57 ALA CA C 57 50.940 50.940 50.992 -0.052 19286 2301 1 8 . 1 1 57 57 ALA H H 57 8.000 8.000 8.314 -0.314 19286 2302 1 8 . 1 1 59 59 ILE N N 59 122.950 122.950 129.478 -6.528 19286 2303 1 8 . 1 1 59 59 ILE HA H 59 4.990 4.990 4.396 0.594 19286 2304 1 8 . 1 1 59 59 ILE CA C 59 57.190 57.190 59.900 -2.710 19286 2305 1 8 . 1 1 59 59 ILE H H 59 8.930 8.930 8.059 0.871 19286 2306 1 8 . 1 1 60 60 ASP N N 60 127.320 127.320 123.497 3.823 19286 2307 1 8 . 1 1 60 60 ASP HA H 60 5.100 5.100 4.689 0.411 19286 2308 1 8 . 1 1 60 60 ASP CA C 60 55.100 55.100 52.668 2.432 19286 2309 1 8 . 1 1 60 60 ASP H H 60 8.360 8.360 7.959 0.401 19286 2310 1 8 . 1 1 61 61 VAL N N 61 121.040 121.040 116.888 4.152 19286 2311 1 8 . 1 1 61 61 VAL HA H 61 3.700 3.700 3.613 0.087 19286 2312 1 8 . 1 1 61 61 VAL CA C 61 64.630 64.630 63.641 0.989 19286 2313 1 8 . 1 1 61 61 VAL CB C 61 31.590 31.590 30.616 0.974 19286 2314 1 8 . 1 1 61 61 VAL H H 61 8.540 8.540 8.032 0.508 19286 2315 1 8 . 1 1 63 63 LEU N N 63 121.830 121.830 121.674 0.156 19286 2316 1 8 . 1 1 63 63 LEU HA H 63 4.400 4.400 4.598 -0.198 19286 2317 1 8 . 1 1 63 63 LEU CA C 63 52.810 52.810 54.403 -1.593 19286 2318 1 8 . 1 1 63 63 LEU H H 63 8.960 8.960 8.246 0.714 19286 2319 1 8 . 1 1 64 64 ASP N N 64 128.450 128.450 120.490 7.960 19286 2320 1 8 . 1 1 64 64 ASP HA H 64 4.290 4.290 4.322 -0.032 19286 2321 1 8 . 1 1 64 64 ASP CA C 64 55.940 55.940 55.602 0.338 19286 2322 1 8 . 1 1 64 64 ASP CB C 64 40.390 40.390 40.133 0.257 19286 2323 1 8 . 1 1 64 64 ASP H H 64 9.840 9.840 9.024 0.816 19286 2324 1 8 . 1 1 65 65 GLY N N 65 133.580 133.580 103.179 30.401 19286 2325 1 8 . 1 1 65 65 GLY H H 65 8.400 8.400 8.024 0.376 19286 2326 1 8 . 1 1 66 66 GLU N N 66 121.110 121.110 119.424 1.686 19286 2327 1 8 . 1 1 66 66 GLU HA H 66 4.920 4.920 3.903 1.017 19286 2328 1 8 . 1 1 66 66 GLU CA C 66 53.100 53.100 56.398 -3.297 19286 2329 1 8 . 1 1 66 66 GLU H H 66 7.790 7.790 7.855 -0.065 19286 2330 1 8 . 1 1 69 69 TYR N N 69 120.020 120.020 118.516 1.504 19286 2331 1 8 . 1 1 69 69 TYR HA H 69 4.410 4.410 4.169 0.241 19286 2332 1 8 . 1 1 69 69 TYR CA C 69 60.970 60.970 57.158 3.812 19286 2333 1 8 . 1 1 69 69 TYR H H 69 6.480 6.480 7.799 -1.319 19286 2334 1 8 . 1 1 71 71 VAL N N 71 115.000 115.000 121.646 -6.646 19286 2335 1 8 . 1 1 71 71 VAL H H 71 7.640 7.640 7.629 0.011 19286 2336 1 8 . 1 1 72 72 ALA N N 72 122.000 122.000 123.210 -1.210 19286 2337 1 8 . 1 1 72 72 ALA CB C 72 20.110 20.110 17.735 2.375 19286 2338 1 8 . 1 1 72 72 ALA H H 72 6.890 6.890 7.817 -0.927 19286 2339 1 8 . 1 1 73 73 ASP N N 73 116.020 116.020 118.422 -2.402 19286 2340 1 8 . 1 1 73 73 ASP H H 73 8.610 8.610 7.549 1.061 19286 2341 1 8 . 1 1 74 74 ILE N N 74 120.950 120.950 120.744 0.206 19286 2342 1 8 . 1 1 74 74 ILE H H 74 7.060 7.060 7.396 -0.336 19286 2343 1 8 . 1 1 75 75 LEU N N 75 119.760 119.760 120.777 -1.017 19286 2344 1 8 . 1 1 75 75 LEU H H 75 7.460 7.460 8.758 -1.298 19286 2345 1 8 . 1 1 76 76 ALA N N 76 121.160 121.160 119.627 1.533 19286 2346 1 8 . 1 1 76 76 ALA H H 76 8.910 8.910 7.918 0.992 19286 2347 1 8 . 1 1 77 77 GLU N N 77 120.340 120.340 120.017 0.323 19286 2348 1 8 . 1 1 77 77 GLU H H 77 7.800 7.800 8.349 -0.549 19286 2349 1 8 . 1 1 78 78 ARG N N 78 116.210 116.210 118.103 -1.893 19286 2350 1 8 . 1 1 78 78 ARG H H 78 7.740 7.740 8.279 -0.539 19286 2351 1 8 . 1 1 79 79 ASN N N 79 116.230 116.230 118.848 -2.618 19286 2352 1 8 . 1 1 79 79 ASN H H 79 8.030 8.030 8.087 -0.057 19286 2353 1 8 . 1 1 80 80 VAL N N 80 121.200 121.200 123.359 -2.159 19286 2354 1 8 . 1 1 80 80 VAL H H 80 8.200 8.200 7.617 0.583 19286 2355 1 8 . 1 1 82 82 PHE N N 82 113.440 113.440 119.634 -6.194 19286 2356 1 8 . 1 1 82 82 PHE HA H 82 5.690 5.690 4.982 0.708 19286 2357 1 8 . 1 1 82 82 PHE CA C 82 55.480 55.480 55.651 -0.171 19286 2358 1 8 . 1 1 82 82 PHE CB C 82 43.610 43.610 40.362 3.248 19286 2359 1 8 . 1 1 82 82 PHE H H 82 7.310 7.310 7.663 -0.353 19286 2360 1 8 . 1 1 83 83 ILE N N 83 115.230 115.230 118.343 -3.113 19286 2361 1 8 . 1 1 83 83 ILE HA H 83 4.260 4.260 3.709 0.551 19286 2362 1 8 . 1 1 83 83 ILE CA C 83 59.690 59.690 59.677 0.013 19286 2363 1 8 . 1 1 83 83 ILE H H 83 7.880 7.880 7.895 -0.015 19286 2364 1 8 . 1 1 84 84 PHE N N 84 122.680 122.680 122.226 0.454 19286 2365 1 8 . 1 1 84 84 PHE HA H 84 6.190 6.190 4.602 1.588 19286 2366 1 8 . 1 1 84 84 PHE CA C 84 55.470 55.470 56.580 -1.110 19286 2367 1 8 . 1 1 84 84 PHE H H 84 8.360 8.360 7.959 0.401 19286 2368 1 8 . 1 1 85 85 ALA N N 85 123.760 123.760 123.199 0.561 19286 2369 1 8 . 1 1 85 85 ALA HA H 85 5.540 5.540 4.696 0.844 19286 2370 1 8 . 1 1 85 85 ALA CA C 85 50.940 50.940 52.293 -1.353 19286 2371 1 8 . 1 1 85 85 ALA H H 85 8.570 8.570 7.898 0.672 19286 2372 1 8 . 1 1 86 86 THR N N 86 114.260 114.260 115.290 -1.030 19286 2373 1 8 . 1 1 86 86 THR HA H 86 4.290 4.290 4.441 -0.151 19286 2374 1 8 . 1 1 86 86 THR CA C 86 56.720 56.720 60.918 -4.198 19286 2375 1 8 . 1 1 86 86 THR CB C 86 69.610 69.610 69.706 -0.096 19286 2376 1 8 . 1 1 86 86 THR H H 86 8.640 8.640 8.248 0.392 19286 2377 1 8 . 1 1 87 87 GLY N N 87 112.830 112.830 110.221 2.609 19286 2378 1 8 . 1 1 87 87 GLY H H 87 8.590 8.590 8.737 -0.147 19286 2379 1 8 . 1 1 89 89 GLY N N 89 111.750 111.750 110.458 1.292 19286 2380 1 8 . 1 1 89 89 GLY H H 89 8.300 8.300 8.152 0.148 19286 2381 1 8 . 1 1 90 90 SER CA C 90 57.970 57.970 57.877 0.093 19286 2382 1 8 . 1 1 90 90 SER H H 90 4.990 4.990 7.903 -2.913 19286 2383 1 8 . 1 1 91 91 LYS N N 91 122.950 122.950 122.196 0.754 19286 2384 1 8 . 1 1 91 91 LYS H H 91 8.180 8.180 8.804 -0.624 19286 2385 1 8 . 1 1 92 92 GLY N N 92 109.390 109.390 106.893 2.497 19286 2386 1 8 . 1 1 92 92 GLY H H 92 8.320 8.320 7.988 0.332 19286 2387 1 8 . 1 1 93 93 LEU N N 93 121.760 121.760 123.696 -1.936 19286 2388 1 8 . 1 1 93 93 LEU CB C 93 42.970 42.970 42.733 0.237 19286 2389 1 8 . 1 1 93 93 LEU H H 93 7.910 7.910 7.735 0.175 19286 2390 1 8 . 1 1 94 94 ASP N N 94 122.710 122.710 122.270 0.440 19286 2391 1 8 . 1 1 94 94 ASP H H 94 7.650 7.650 7.930 -0.280 19286 2392 1 8 . 1 1 95 95 THR N N 95 117.650 117.650 116.053 1.597 19286 2393 1 8 . 1 1 95 95 THR H H 95 8.210 8.210 7.923 0.287 19286 2394 1 8 . 1 1 96 96 ARG N N 96 122.360 122.360 122.450 -0.090 19286 2395 1 8 . 1 1 96 96 ARG H H 96 8.700 8.700 9.076 -0.376 19286 2396 1 8 . 1 1 97 97 TYR N N 97 117.080 117.080 118.842 -1.762 19286 2397 1 8 . 1 1 97 97 TYR CB C 97 39.220 39.220 38.496 0.724 19286 2398 1 8 . 1 1 97 97 TYR H H 97 8.000 8.000 7.830 0.170 19286 2399 1 8 . 1 1 98 98 SER N N 98 114.730 114.730 112.411 2.319 19286 2400 1 8 . 1 1 98 98 SER H H 98 7.580 7.580 7.771 -0.191 19286 2401 1 8 . 1 1 99 99 ASN N N 99 117.230 117.230 116.144 1.086 19286 2402 1 8 . 1 1 99 99 ASN H H 99 8.600 8.600 8.427 0.173 19286 2403 1 8 . 1 1 100 100 ILE N N 100 124.250 124.250 117.764 6.486 19286 2404 1 8 . 1 1 100 100 ILE H H 100 7.520 7.520 8.039 -0.519 19286 2405 1 8 . 1 1 102 102 LEU N N 102 121.060 121.060 120.594 0.466 19286 2406 1 8 . 1 1 102 102 LEU H H 102 7.870 7.870 7.565 0.305 19286 2407 1 8 . 1 1 103 103 LEU N N 103 126.970 126.970 119.874 7.096 19286 2408 1 8 . 1 1 103 103 LEU HA H 103 4.620 4.620 4.832 -0.212 19286 2409 1 8 . 1 1 103 103 LEU CA C 103 54.690 54.690 54.409 0.281 19286 2410 1 8 . 1 1 103 103 LEU H H 103 9.080 9.080 7.837 1.243 19286 2411 1 8 . 1 1 104 104 THR N N 104 118.430 118.430 111.420 7.010 19286 2412 1 8 . 1 1 104 104 THR HA H 104 4.760 4.760 4.444 0.316 19286 2413 1 8 . 1 1 104 104 THR CA C 104 63.440 63.440 62.316 1.124 19286 2414 1 8 . 1 1 104 104 THR H H 104 8.430 8.430 8.142 0.288 19286 2415 1 8 . 1 1 105 105 LYS N N 105 122.030 122.030 119.753 2.277 19286 2416 1 8 . 1 1 105 105 LYS HA H 105 4.290 4.290 4.791 -0.501 19286 2417 1 8 . 1 1 105 105 LYS CA C 105 54.690 54.690 55.461 -0.771 19286 2418 1 8 . 1 1 105 105 LYS H H 105 8.170 8.170 8.148 0.022 19286 2419 1 8 . 1 1 107 107 PHE N N 107 118.490 118.490 116.743 1.747 19286 2420 1 8 . 1 1 107 107 PHE H H 107 7.470 7.470 7.843 -0.373 19286 2421 1 8 . 1 1 109 109 ASP N N 109 124.810 124.810 116.745 8.065 19286 2422 1 8 . 1 1 109 109 ASP HA H 109 4.710 4.710 4.683 0.027 19286 2423 1 8 . 1 1 109 109 ASP H H 109 9.130 9.130 8.811 0.319 19286 2424 1 8 . 1 1 110 110 SER HA H 110 4.270 4.270 4.303 -0.033 19286 2425 1 8 . 1 1 110 110 SER CA C 110 59.690 59.690 60.304 -0.614 19286 2426 1 8 . 1 1 111 111 GLU N N 111 123.780 123.780 120.413 3.367 19286 2427 1 8 . 1 1 111 111 GLU HA H 111 4.060 4.060 3.937 0.123 19286 2428 1 8 . 1 1 111 111 GLU CA C 111 58.440 58.440 59.717 -1.277 19286 2429 1 8 . 1 1 111 111 GLU H H 111 7.410 7.410 8.524 -1.114 19286 2430 1 8 . 1 1 112 112 LEU N N 112 120.180 120.180 118.849 1.331 19286 2431 1 8 . 1 1 112 112 LEU HA H 112 3.900 3.900 3.835 0.065 19286 2432 1 8 . 1 1 112 112 LEU CA C 112 58.440 58.440 58.113 0.327 19286 2433 1 8 . 1 1 112 112 LEU H H 112 7.670 7.670 7.956 -0.286 19286 2434 1 8 . 1 1 113 113 GLU N N 113 118.380 118.380 118.590 -0.210 19286 2435 1 8 . 1 1 113 113 GLU HA H 113 3.730 3.730 3.871 -0.141 19286 2436 1 8 . 1 1 113 113 GLU CA C 113 60.940 60.940 59.118 1.822 19286 2437 1 8 . 1 1 113 113 GLU H H 113 8.530 8.530 8.074 0.456 19286 2438 1 8 . 1 1 114 114 ALA N N 114 117.790 117.790 121.127 -3.337 19286 2439 1 8 . 1 1 114 114 ALA HA H 114 4.140 4.140 4.093 0.047 19286 2440 1 8 . 1 1 114 114 ALA CA C 114 55.540 55.540 55.053 0.486 19286 2441 1 8 . 1 1 114 114 ALA CB C 114 18.440 18.440 18.838 -0.398 19286 2442 1 8 . 1 1 114 114 ALA H H 114 7.480 7.480 7.482 -0.002 19286 2443 1 8 . 1 1 115 115 VAL N N 115 116.000 116.000 113.511 2.489 19286 2444 1 8 . 1 1 115 115 VAL HA H 115 4.030 4.030 4.168 -0.138 19286 2445 1 8 . 1 1 115 115 VAL CA C 115 65.940 65.940 63.570 2.370 19286 2446 1 8 . 1 1 115 115 VAL H H 115 7.540 7.540 7.928 -0.388 19286 2447 1 8 . 1 1 116 116 LEU HA H 116 4.280 4.280 4.039 0.241 19286 2448 1 8 . 1 1 116 116 LEU CA C 116 57.570 57.570 58.327 -0.756 19286 2449 1 8 . 1 1 117 117 VAL N N 117 119.140 119.140 119.760 -0.620 19286 2450 1 8 . 1 1 117 117 VAL H H 117 8.200 8.200 7.712 0.488 19286 2451 1 8 . 1 1 120 120 SER N N 120 115.730 115.730 116.891 -1.161 19286 2452 1 8 . 1 1 120 120 SER H H 120 7.780 7.780 8.207 -0.427 19286 2453 1 8 . 1 1 121 121 LYS N N 121 120.870 120.870 124.957 -4.087 19286 2454 1 8 . 1 1 121 121 LYS H H 121 7.540 7.540 8.577 -1.037 19286 2455 1 8 . 1 1 122 122 GLU N N 122 120.160 120.160 117.751 2.409 19286 2456 1 8 . 1 1 122 122 GLU H H 122 8.140 8.140 8.427 -0.287 19286 2457 1 9 . 1 1 4 4 MET N N 4 121.520 121.520 123.190 -1.670 19286 2458 1 9 . 1 1 4 4 MET H H 4 8.450 8.450 8.205 0.245 19286 2459 1 9 . 1 1 5 5 THR N N 5 115.270 115.270 113.443 1.827 19286 2460 1 9 . 1 1 5 5 THR H H 5 8.090 8.090 8.047 0.043 19286 2461 1 9 . 1 1 6 6 GLU N N 6 123.580 123.580 119.603 3.977 19286 2462 1 9 . 1 1 6 6 GLU H H 6 8.430 8.430 8.669 -0.239 19286 2463 1 9 . 1 1 7 7 ARG N N 7 120.850 120.850 120.937 -0.087 19286 2464 1 9 . 1 1 7 7 ARG H H 7 8.030 8.030 8.439 -0.409 19286 2465 1 9 . 1 1 8 8 ARG N N 8 125.410 125.410 118.284 7.126 19286 2466 1 9 . 1 1 8 8 ARG HA H 8 4.370 4.370 4.085 0.285 19286 2467 1 9 . 1 1 8 8 ARG H H 8 8.310 8.310 7.991 0.319 19286 2468 1 9 . 1 1 9 9 LEU N N 9 130.330 130.330 117.897 12.433 19286 2469 1 9 . 1 1 9 9 LEU HA H 9 4.610 4.610 4.444 0.166 19286 2470 1 9 . 1 1 9 9 LEU H H 9 11.100 11.100 7.362 3.738 19286 2471 1 9 . 1 1 10 10 ARG N N 10 121.420 121.420 119.880 1.540 19286 2472 1 9 . 1 1 10 10 ARG HA H 10 5.010 5.010 4.672 0.338 19286 2473 1 9 . 1 1 10 10 ARG CA C 10 55.940 55.940 54.917 1.022 19286 2474 1 9 . 1 1 10 10 ARG H H 10 9.620 9.620 8.883 0.737 19286 2475 1 9 . 1 1 11 11 VAL N N 11 125.110 125.110 118.195 6.915 19286 2476 1 9 . 1 1 11 11 VAL HA H 11 4.970 4.970 4.467 0.503 19286 2477 1 9 . 1 1 11 11 VAL H H 11 9.210 9.210 8.484 0.726 19286 2478 1 9 . 1 1 12 12 LEU N N 12 130.050 130.050 128.341 1.709 19286 2479 1 9 . 1 1 12 12 LEU HA H 12 4.780 4.780 4.809 -0.029 19286 2480 1 9 . 1 1 12 12 LEU H H 12 8.260 8.260 9.025 -0.765 19286 2481 1 9 . 1 1 13 13 VAL N N 13 128.060 128.060 124.269 3.791 19286 2482 1 9 . 1 1 13 13 VAL HA H 13 4.610 4.610 4.170 0.440 19286 2483 1 9 . 1 1 13 13 VAL H H 13 8.330 8.330 8.535 -0.205 19286 2484 1 9 . 1 1 14 14 VAL N N 14 128.470 128.470 123.870 4.600 19286 2485 1 9 . 1 1 14 14 VAL HA H 14 4.700 4.700 4.492 0.208 19286 2486 1 9 . 1 1 14 14 VAL H H 14 8.840 8.840 8.963 -0.123 19286 2487 1 9 . 1 1 15 15 GLU N N 15 124.840 124.840 120.816 4.024 19286 2488 1 9 . 1 1 15 15 GLU HA H 15 4.620 4.620 4.445 0.175 19286 2489 1 9 . 1 1 15 15 GLU H H 15 7.950 7.950 8.265 -0.315 19286 2490 1 9 . 1 1 16 16 ASP N N 16 125.840 125.840 120.084 5.756 19286 2491 1 9 . 1 1 16 16 ASP HA H 16 4.540 4.540 4.551 -0.011 19286 2492 1 9 . 1 1 16 16 ASP H H 16 9.360 9.360 8.569 0.791 19286 2493 1 9 . 1 1 17 17 GLU HA H 17 4.290 4.290 4.311 -0.021 19286 2494 1 9 . 1 1 17 17 GLU CA C 17 55.540 55.540 56.695 -1.155 19286 2495 1 9 . 1 1 18 18 SER N N 18 124.990 124.990 120.418 4.572 19286 2496 1 9 . 1 1 18 18 SER HA H 18 4.610 4.610 4.121 0.489 19286 2497 1 9 . 1 1 18 18 SER H H 18 8.820 8.820 8.957 -0.137 19286 2498 1 9 . 1 1 19 19 MET N N 19 119.940 119.940 120.922 -0.982 19286 2499 1 9 . 1 1 19 19 MET H H 19 9.030 9.030 8.188 0.842 19286 2500 1 9 . 1 1 20 20 ILE N N 20 118.700 118.700 119.631 -0.931 19286 2501 1 9 . 1 1 20 20 ILE H H 20 7.200 7.200 7.942 -0.742 19286 2502 1 9 . 1 1 21 21 ALA N N 21 123.500 123.500 122.701 0.799 19286 2503 1 9 . 1 1 21 21 ALA CB C 21 18.860 18.860 18.335 0.525 19286 2504 1 9 . 1 1 21 21 ALA H H 21 8.370 8.370 8.186 0.184 19286 2505 1 9 . 1 1 22 22 MET N N 22 115.790 115.790 118.769 -2.979 19286 2506 1 9 . 1 1 22 22 MET HA H 22 4.160 4.160 4.273 -0.113 19286 2507 1 9 . 1 1 22 22 MET CA C 22 58.440 58.440 58.381 0.059 19286 2508 1 9 . 1 1 22 22 MET H H 22 8.090 8.090 7.626 0.464 19286 2509 1 9 . 1 1 23 23 LEU N N 23 120.400 120.400 118.772 1.628 19286 2510 1 9 . 1 1 23 23 LEU H H 23 7.490 7.490 7.641 -0.151 19286 2511 1 9 . 1 1 24 24 ILE N N 24 120.840 120.840 119.065 1.775 19286 2512 1 9 . 1 1 24 24 ILE HA H 24 3.520 3.520 4.134 -0.614 19286 2513 1 9 . 1 1 24 24 ILE CA C 24 67.190 67.190 62.497 4.693 19286 2514 1 9 . 1 1 24 24 ILE CB C 24 38.440 38.440 39.702 -1.262 19286 2515 1 9 . 1 1 24 24 ILE H H 24 8.630 8.630 8.076 0.554 19286 2516 1 9 . 1 1 25 25 GLU N N 25 119.380 119.380 120.268 -0.888 19286 2517 1 9 . 1 1 25 25 GLU H H 25 8.550 8.550 7.796 0.754 19286 2518 1 9 . 1 1 26 26 ASP N N 26 119.700 119.700 118.183 1.517 19286 2519 1 9 . 1 1 26 26 ASP H H 26 8.890 8.890 7.993 0.897 19286 2520 1 9 . 1 1 27 27 THR N N 27 117.460 117.460 115.680 1.780 19286 2521 1 9 . 1 1 27 27 THR HA H 27 4.270 4.270 4.150 0.120 19286 2522 1 9 . 1 1 27 27 THR CA C 27 68.890 68.890 66.005 2.885 19286 2523 1 9 . 1 1 27 27 THR H H 27 8.100 8.100 7.675 0.425 19286 2524 1 9 . 1 1 28 28 LEU N N 28 120.440 120.440 122.126 -1.686 19286 2525 1 9 . 1 1 28 28 LEU HA H 28 3.920 3.920 4.401 -0.481 19286 2526 1 9 . 1 1 28 28 LEU CA C 28 58.440 58.440 57.576 0.864 19286 2527 1 9 . 1 1 28 28 LEU H H 28 8.610 8.610 8.093 0.517 19286 2528 1 9 . 1 1 29 29 CYS N N 29 116.920 116.920 117.798 -0.878 19286 2529 1 9 . 1 1 29 29 CYS H H 29 8.180 8.180 7.541 0.639 19286 2530 1 9 . 1 1 30 30 GLU N N 30 122.820 122.820 120.949 1.871 19286 2531 1 9 . 1 1 30 30 GLU HA H 30 4.160 4.160 4.294 -0.134 19286 2532 1 9 . 1 1 30 30 GLU CA C 30 59.690 59.690 58.049 1.641 19286 2533 1 9 . 1 1 30 30 GLU H H 30 8.060 8.060 8.075 -0.015 19286 2534 1 9 . 1 1 31 31 LEU N N 31 116.980 116.980 117.331 -0.351 19286 2535 1 9 . 1 1 31 31 LEU H H 31 7.660 7.660 7.583 0.077 19286 2536 1 9 . 1 1 32 32 GLY N N 32 105.410 105.410 103.600 1.810 19286 2537 1 9 . 1 1 32 32 GLY H H 32 7.600 7.600 7.887 -0.287 19286 2538 1 9 . 1 1 33 33 HIS N N 33 119.380 119.380 119.071 0.309 19286 2539 1 9 . 1 1 33 33 HIS HA H 33 5.130 5.130 4.230 0.900 19286 2540 1 9 . 1 1 33 33 HIS CA C 33 56.350 56.350 57.642 -1.292 19286 2541 1 9 . 1 1 33 33 HIS CB C 33 33.470 33.470 29.738 3.732 19286 2542 1 9 . 1 1 33 33 HIS H H 33 7.780 7.780 8.118 -0.338 19286 2543 1 9 . 1 1 34 34 GLU N N 34 117.930 117.930 125.588 -7.658 19286 2544 1 9 . 1 1 34 34 GLU H H 34 8.870 8.870 8.049 0.821 19286 2545 1 9 . 1 1 35 35 VAL N N 35 125.860 125.860 119.193 6.667 19286 2546 1 9 . 1 1 35 35 VAL HA H 35 4.710 4.710 4.162 0.548 19286 2547 1 9 . 1 1 35 35 VAL H H 35 8.870 8.870 8.410 0.460 19286 2548 1 9 . 1 1 36 36 ALA N N 36 132.950 132.950 132.639 0.311 19286 2549 1 9 . 1 1 36 36 ALA HA H 36 4.200 4.200 4.470 -0.270 19286 2550 1 9 . 1 1 36 36 ALA CB C 36 23.860 23.860 19.725 4.135 19286 2551 1 9 . 1 1 36 36 ALA H H 36 9.110 9.110 8.639 0.471 19286 2552 1 9 . 1 1 37 37 ALA N N 37 115.420 115.420 119.672 -4.252 19286 2553 1 9 . 1 1 37 37 ALA H H 37 7.480 7.480 7.673 -0.193 19286 2554 1 9 . 1 1 38 38 THR N N 38 112.980 112.980 113.020 -0.040 19286 2555 1 9 . 1 1 38 38 THR H H 38 8.170 8.170 8.371 -0.201 19286 2556 1 9 . 1 1 39 39 ALA CB C 39 22.610 22.610 18.808 3.802 19286 2557 1 9 . 1 1 40 40 SER N N 40 113.630 113.630 116.554 -2.924 19286 2558 1 9 . 1 1 40 40 SER HA H 40 4.450 4.450 4.679 -0.229 19286 2559 1 9 . 1 1 40 40 SER CA C 40 57.480 57.480 58.383 -0.903 19286 2560 1 9 . 1 1 40 40 SER H H 40 8.980 8.980 8.694 0.286 19286 2561 1 9 . 1 1 41 41 ARG N N 41 117.890 117.890 128.160 -10.270 19286 2562 1 9 . 1 1 41 41 ARG CB C 41 34.110 34.110 32.506 1.604 19286 2563 1 9 . 1 1 41 41 ARG H H 41 7.340 7.340 8.506 -1.166 19286 2564 1 9 . 1 1 42 42 MET N N 42 123.460 123.460 125.167 -1.707 19286 2565 1 9 . 1 1 42 42 MET HA H 42 4.040 4.040 3.470 0.570 19286 2566 1 9 . 1 1 42 42 MET H H 42 9.340 9.340 8.892 0.448 19286 2567 1 9 . 1 1 43 43 GLN N N 43 117.010 117.010 118.998 -1.988 19286 2568 1 9 . 1 1 43 43 GLN H H 43 8.940 8.940 8.548 0.392 19286 2569 1 9 . 1 1 44 44 GLU N N 44 117.430 117.430 119.086 -1.656 19286 2570 1 9 . 1 1 44 44 GLU CB C 44 26.690 26.690 29.288 -2.598 19286 2571 1 9 . 1 1 44 44 GLU H H 44 7.160 7.160 8.348 -1.188 19286 2572 1 9 . 1 1 45 45 ALA N N 45 121.060 121.060 122.152 -1.092 19286 2573 1 9 . 1 1 45 45 ALA HA H 45 3.680 3.680 4.004 -0.324 19286 2574 1 9 . 1 1 45 45 ALA CA C 45 55.940 55.940 55.159 0.781 19286 2575 1 9 . 1 1 45 45 ALA CB C 45 20.940 20.940 18.455 2.485 19286 2576 1 9 . 1 1 45 45 ALA H H 45 8.220 8.220 8.435 -0.215 19286 2577 1 9 . 1 1 46 46 LEU N N 46 116.750 116.750 118.241 -1.491 19286 2578 1 9 . 1 1 46 46 LEU H H 46 8.350 8.350 7.524 0.826 19286 2579 1 9 . 1 1 47 47 ASP N N 47 117.760 117.760 119.139 -1.379 19286 2580 1 9 . 1 1 47 47 ASP H H 47 7.400 7.400 7.653 -0.253 19286 2581 1 9 . 1 1 48 48 ILE N N 48 118.660 118.660 116.080 2.580 19286 2582 1 9 . 1 1 48 48 ILE H H 48 8.220 8.220 7.684 0.536 19286 2583 1 9 . 1 1 49 49 ALA N N 49 123.150 123.150 123.270 -0.120 19286 2584 1 9 . 1 1 49 49 ALA HA H 49 4.040 4.040 4.072 -0.032 19286 2585 1 9 . 1 1 49 49 ALA CA C 49 55.940 55.940 53.431 2.509 19286 2586 1 9 . 1 1 49 49 ALA CB C 49 18.120 18.120 19.155 -1.035 19286 2587 1 9 . 1 1 49 49 ALA H H 49 8.610 8.610 6.932 1.678 19286 2588 1 9 . 1 1 50 50 ARG N N 50 113.110 113.110 118.977 -5.867 19286 2589 1 9 . 1 1 50 50 ARG CB C 50 26.570 26.570 29.893 -3.323 19286 2590 1 9 . 1 1 50 50 ARG H H 50 7.440 7.440 8.614 -1.174 19286 2591 1 9 . 1 1 51 51 LYS N N 51 114.910 114.910 118.127 -3.217 19286 2592 1 9 . 1 1 51 51 LYS H H 51 7.550 7.550 8.012 -0.462 19286 2593 1 9 . 1 1 52 52 GLY N N 52 108.150 108.150 107.599 0.551 19286 2594 1 9 . 1 1 52 52 GLY H H 52 8.920 8.920 8.173 0.747 19286 2595 1 9 . 1 1 53 53 GLN N N 53 120.450 120.450 119.707 0.743 19286 2596 1 9 . 1 1 53 53 GLN H H 53 8.320 8.320 8.627 -0.307 19286 2597 1 9 . 1 1 54 54 PHE N N 54 119.090 119.090 117.145 1.945 19286 2598 1 9 . 1 1 54 54 PHE H H 54 7.180 7.180 7.838 -0.658 19286 2599 1 9 . 1 1 55 55 ASP N N 55 117.290 117.290 122.068 -4.778 19286 2600 1 9 . 1 1 55 55 ASP H H 55 9.330 9.330 8.641 0.689 19286 2601 1 9 . 1 1 56 56 ILE N N 56 109.550 109.550 117.599 -8.049 19286 2602 1 9 . 1 1 56 56 ILE HA H 56 5.220 5.220 4.385 0.835 19286 2603 1 9 . 1 1 56 56 ILE CA C 56 59.690 59.690 59.742 -0.053 19286 2604 1 9 . 1 1 56 56 ILE H H 56 7.690 7.690 7.497 0.193 19286 2605 1 9 . 1 1 57 57 ALA N N 57 122.390 122.390 126.428 -4.038 19286 2606 1 9 . 1 1 57 57 ALA HA H 57 5.480 5.480 5.309 0.171 19286 2607 1 9 . 1 1 57 57 ALA CA C 57 50.940 50.940 50.895 0.045 19286 2608 1 9 . 1 1 57 57 ALA H H 57 8.000 8.000 8.413 -0.413 19286 2609 1 9 . 1 1 59 59 ILE N N 59 122.950 122.950 127.973 -5.023 19286 2610 1 9 . 1 1 59 59 ILE HA H 59 4.990 4.990 4.503 0.487 19286 2611 1 9 . 1 1 59 59 ILE CA C 59 57.190 57.190 57.603 -0.414 19286 2612 1 9 . 1 1 59 59 ILE H H 59 8.930 8.930 7.370 1.560 19286 2613 1 9 . 1 1 60 60 ASP N N 60 127.320 127.320 122.363 4.957 19286 2614 1 9 . 1 1 60 60 ASP HA H 60 5.100 5.100 4.424 0.676 19286 2615 1 9 . 1 1 60 60 ASP CA C 60 55.100 55.100 54.108 0.992 19286 2616 1 9 . 1 1 60 60 ASP H H 60 8.360 8.360 7.504 0.856 19286 2617 1 9 . 1 1 61 61 VAL N N 61 121.040 121.040 117.434 3.606 19286 2618 1 9 . 1 1 61 61 VAL HA H 61 3.700 3.700 3.793 -0.093 19286 2619 1 9 . 1 1 61 61 VAL CA C 61 64.630 64.630 63.736 0.894 19286 2620 1 9 . 1 1 61 61 VAL CB C 61 31.590 31.590 32.005 -0.415 19286 2621 1 9 . 1 1 61 61 VAL H H 61 8.540 8.540 8.529 0.011 19286 2622 1 9 . 1 1 63 63 LEU N N 63 121.830 121.830 116.466 5.364 19286 2623 1 9 . 1 1 63 63 LEU HA H 63 4.400 4.400 4.730 -0.330 19286 2624 1 9 . 1 1 63 63 LEU CA C 63 52.810 52.810 54.241 -1.431 19286 2625 1 9 . 1 1 63 63 LEU H H 63 8.960 8.960 7.325 1.635 19286 2626 1 9 . 1 1 64 64 ASP N N 64 128.450 128.450 119.301 9.149 19286 2627 1 9 . 1 1 64 64 ASP HA H 64 4.290 4.290 4.401 -0.111 19286 2628 1 9 . 1 1 64 64 ASP CA C 64 55.940 55.940 54.951 0.989 19286 2629 1 9 . 1 1 64 64 ASP CB C 64 40.390 40.390 39.906 0.484 19286 2630 1 9 . 1 1 64 64 ASP H H 64 9.840 9.840 8.786 1.054 19286 2631 1 9 . 1 1 65 65 GLY N N 65 133.580 133.580 103.970 29.610 19286 2632 1 9 . 1 1 65 65 GLY H H 65 8.400 8.400 7.792 0.608 19286 2633 1 9 . 1 1 66 66 GLU N N 66 121.110 121.110 118.481 2.629 19286 2634 1 9 . 1 1 66 66 GLU HA H 66 4.920 4.920 4.211 0.709 19286 2635 1 9 . 1 1 66 66 GLU CA C 66 53.100 53.100 56.348 -3.248 19286 2636 1 9 . 1 1 66 66 GLU H H 66 7.790 7.790 8.329 -0.539 19286 2637 1 9 . 1 1 69 69 TYR N N 69 120.020 120.020 116.789 3.231 19286 2638 1 9 . 1 1 69 69 TYR HA H 69 4.410 4.410 4.199 0.211 19286 2639 1 9 . 1 1 69 69 TYR CA C 69 60.970 60.970 57.263 3.707 19286 2640 1 9 . 1 1 69 69 TYR H H 69 6.480 6.480 7.349 -0.869 19286 2641 1 9 . 1 1 71 71 VAL N N 71 115.000 115.000 117.181 -2.181 19286 2642 1 9 . 1 1 71 71 VAL H H 71 7.640 7.640 8.184 -0.544 19286 2643 1 9 . 1 1 72 72 ALA N N 72 122.000 122.000 124.102 -2.102 19286 2644 1 9 . 1 1 72 72 ALA CB C 72 20.110 20.110 18.209 1.901 19286 2645 1 9 . 1 1 72 72 ALA H H 72 6.890 6.890 7.916 -1.026 19286 2646 1 9 . 1 1 73 73 ASP N N 73 116.020 116.020 118.938 -2.918 19286 2647 1 9 . 1 1 73 73 ASP H H 73 8.610 8.610 7.555 1.055 19286 2648 1 9 . 1 1 74 74 ILE N N 74 120.950 120.950 121.061 -0.111 19286 2649 1 9 . 1 1 74 74 ILE H H 74 7.060 7.060 8.469 -1.409 19286 2650 1 9 . 1 1 75 75 LEU N N 75 119.760 119.760 119.145 0.615 19286 2651 1 9 . 1 1 75 75 LEU H H 75 7.460 7.460 8.683 -1.223 19286 2652 1 9 . 1 1 76 76 ALA N N 76 121.160 121.160 118.684 2.476 19286 2653 1 9 . 1 1 76 76 ALA H H 76 8.910 8.910 7.898 1.012 19286 2654 1 9 . 1 1 77 77 GLU N N 77 120.340 120.340 118.486 1.854 19286 2655 1 9 . 1 1 77 77 GLU H H 77 7.800 7.800 8.020 -0.220 19286 2656 1 9 . 1 1 78 78 ARG N N 78 116.210 116.210 116.148 0.062 19286 2657 1 9 . 1 1 78 78 ARG H H 78 7.740 7.740 7.284 0.456 19286 2658 1 9 . 1 1 79 79 ASN N N 79 116.230 116.230 120.122 -3.892 19286 2659 1 9 . 1 1 79 79 ASN H H 79 8.030 8.030 7.785 0.245 19286 2660 1 9 . 1 1 80 80 VAL N N 80 121.200 121.200 121.975 -0.775 19286 2661 1 9 . 1 1 80 80 VAL H H 80 8.200 8.200 7.937 0.263 19286 2662 1 9 . 1 1 82 82 PHE N N 82 113.440 113.440 117.327 -3.887 19286 2663 1 9 . 1 1 82 82 PHE HA H 82 5.690 5.690 4.590 1.100 19286 2664 1 9 . 1 1 82 82 PHE CA C 82 55.480 55.480 56.097 -0.617 19286 2665 1 9 . 1 1 82 82 PHE CB C 82 43.610 43.610 40.428 3.182 19286 2666 1 9 . 1 1 82 82 PHE H H 82 7.310 7.310 7.351 -0.041 19286 2667 1 9 . 1 1 83 83 ILE N N 83 115.230 115.230 117.490 -2.260 19286 2668 1 9 . 1 1 83 83 ILE HA H 83 4.260 4.260 3.682 0.578 19286 2669 1 9 . 1 1 83 83 ILE CA C 83 59.690 59.690 59.533 0.157 19286 2670 1 9 . 1 1 83 83 ILE H H 83 7.880 7.880 7.936 -0.056 19286 2671 1 9 . 1 1 84 84 PHE N N 84 122.680 122.680 120.864 1.816 19286 2672 1 9 . 1 1 84 84 PHE HA H 84 6.190 6.190 4.892 1.298 19286 2673 1 9 . 1 1 84 84 PHE CA C 84 55.470 55.470 56.997 -1.527 19286 2674 1 9 . 1 1 84 84 PHE H H 84 8.360 8.360 8.269 0.091 19286 2675 1 9 . 1 1 85 85 ALA N N 85 123.760 123.760 125.014 -1.254 19286 2676 1 9 . 1 1 85 85 ALA HA H 85 5.540 5.540 5.299 0.241 19286 2677 1 9 . 1 1 85 85 ALA CA C 85 50.940 50.940 52.001 -1.061 19286 2678 1 9 . 1 1 85 85 ALA H H 85 8.570 8.570 8.279 0.291 19286 2679 1 9 . 1 1 86 86 THR N N 86 114.260 114.260 115.927 -1.667 19286 2680 1 9 . 1 1 86 86 THR HA H 86 4.290 4.290 4.608 -0.318 19286 2681 1 9 . 1 1 86 86 THR CA C 86 56.720 56.720 58.778 -2.058 19286 2682 1 9 . 1 1 86 86 THR CB C 86 69.610 69.610 70.927 -1.317 19286 2683 1 9 . 1 1 86 86 THR H H 86 8.640 8.640 8.292 0.348 19286 2684 1 9 . 1 1 87 87 GLY N N 87 112.830 112.830 108.826 4.004 19286 2685 1 9 . 1 1 87 87 GLY H H 87 8.590 8.590 8.784 -0.194 19286 2686 1 9 . 1 1 89 89 GLY N N 89 111.750 111.750 108.823 2.927 19286 2687 1 9 . 1 1 89 89 GLY H H 89 8.300 8.300 6.683 1.617 19286 2688 1 9 . 1 1 90 90 SER CA C 90 57.970 57.970 60.235 -2.265 19286 2689 1 9 . 1 1 90 90 SER H H 90 4.990 4.990 8.349 -3.359 19286 2690 1 9 . 1 1 91 91 LYS N N 91 122.950 122.950 118.792 4.158 19286 2691 1 9 . 1 1 91 91 LYS H H 91 8.180 8.180 8.433 -0.253 19286 2692 1 9 . 1 1 92 92 GLY N N 92 109.390 109.390 107.848 1.542 19286 2693 1 9 . 1 1 92 92 GLY H H 92 8.320 8.320 8.376 -0.056 19286 2694 1 9 . 1 1 93 93 LEU N N 93 121.760 121.760 117.671 4.089 19286 2695 1 9 . 1 1 93 93 LEU CB C 93 42.970 42.970 42.764 0.206 19286 2696 1 9 . 1 1 93 93 LEU H H 93 7.910 7.910 7.640 0.270 19286 2697 1 9 . 1 1 94 94 ASP N N 94 122.710 122.710 119.101 3.609 19286 2698 1 9 . 1 1 94 94 ASP H H 94 7.650 7.650 8.490 -0.840 19286 2699 1 9 . 1 1 95 95 THR N N 95 117.650 117.650 113.426 4.224 19286 2700 1 9 . 1 1 95 95 THR H H 95 8.210 8.210 7.993 0.217 19286 2701 1 9 . 1 1 96 96 ARG N N 96 122.360 122.360 121.320 1.040 19286 2702 1 9 . 1 1 96 96 ARG H H 96 8.700 8.700 8.842 -0.142 19286 2703 1 9 . 1 1 97 97 TYR N N 97 117.080 117.080 117.656 -0.576 19286 2704 1 9 . 1 1 97 97 TYR CB C 97 39.220 39.220 37.698 1.522 19286 2705 1 9 . 1 1 97 97 TYR H H 97 8.000 8.000 7.944 0.056 19286 2706 1 9 . 1 1 98 98 SER N N 98 114.730 114.730 112.625 2.105 19286 2707 1 9 . 1 1 98 98 SER H H 98 7.580 7.580 7.668 -0.088 19286 2708 1 9 . 1 1 99 99 ASN N N 99 117.230 117.230 116.266 0.964 19286 2709 1 9 . 1 1 99 99 ASN H H 99 8.600 8.600 8.283 0.317 19286 2710 1 9 . 1 1 100 100 ILE N N 100 124.250 124.250 116.727 7.523 19286 2711 1 9 . 1 1 100 100 ILE H H 100 7.520 7.520 8.018 -0.498 19286 2712 1 9 . 1 1 102 102 LEU N N 102 121.060 121.060 119.041 2.019 19286 2713 1 9 . 1 1 102 102 LEU H H 102 7.870 7.870 7.307 0.563 19286 2714 1 9 . 1 1 103 103 LEU N N 103 126.970 126.970 117.597 9.373 19286 2715 1 9 . 1 1 103 103 LEU HA H 103 4.620 4.620 4.753 -0.133 19286 2716 1 9 . 1 1 103 103 LEU CA C 103 54.690 54.690 55.099 -0.409 19286 2717 1 9 . 1 1 103 103 LEU H H 103 9.080 9.080 7.913 1.167 19286 2718 1 9 . 1 1 104 104 THR N N 104 118.430 118.430 112.200 6.230 19286 2719 1 9 . 1 1 104 104 THR HA H 104 4.760 4.760 4.530 0.230 19286 2720 1 9 . 1 1 104 104 THR CA C 104 63.440 63.440 60.788 2.652 19286 2721 1 9 . 1 1 104 104 THR H H 104 8.430 8.430 7.884 0.546 19286 2722 1 9 . 1 1 105 105 LYS N N 105 122.030 122.030 119.744 2.286 19286 2723 1 9 . 1 1 105 105 LYS HA H 105 4.290 4.290 4.846 -0.556 19286 2724 1 9 . 1 1 105 105 LYS CA C 105 54.690 54.690 54.454 0.236 19286 2725 1 9 . 1 1 105 105 LYS H H 105 8.170 8.170 8.321 -0.151 19286 2726 1 9 . 1 1 107 107 PHE N N 107 118.490 118.490 115.628 2.862 19286 2727 1 9 . 1 1 107 107 PHE H H 107 7.470 7.470 7.909 -0.439 19286 2728 1 9 . 1 1 109 109 ASP N N 109 124.810 124.810 117.403 7.407 19286 2729 1 9 . 1 1 109 109 ASP HA H 109 4.710 4.710 5.104 -0.394 19286 2730 1 9 . 1 1 109 109 ASP H H 109 9.130 9.130 8.303 0.827 19286 2731 1 9 . 1 1 110 110 SER HA H 110 4.270 4.270 4.210 0.060 19286 2732 1 9 . 1 1 110 110 SER CA C 110 59.690 59.690 58.782 0.908 19286 2733 1 9 . 1 1 111 111 GLU N N 111 123.780 123.780 121.717 2.063 19286 2734 1 9 . 1 1 111 111 GLU HA H 111 4.060 4.060 3.898 0.162 19286 2735 1 9 . 1 1 111 111 GLU CA C 111 58.440 58.440 60.087 -1.647 19286 2736 1 9 . 1 1 111 111 GLU H H 111 7.410 7.410 8.562 -1.152 19286 2737 1 9 . 1 1 112 112 LEU N N 112 120.180 120.180 118.132 2.048 19286 2738 1 9 . 1 1 112 112 LEU HA H 112 3.900 3.900 3.870 0.030 19286 2739 1 9 . 1 1 112 112 LEU CA C 112 58.440 58.440 58.028 0.412 19286 2740 1 9 . 1 1 112 112 LEU H H 112 7.670 7.670 7.935 -0.265 19286 2741 1 9 . 1 1 113 113 GLU N N 113 118.380 118.380 118.966 -0.586 19286 2742 1 9 . 1 1 113 113 GLU HA H 113 3.730 3.730 3.966 -0.236 19286 2743 1 9 . 1 1 113 113 GLU CA C 113 60.940 60.940 59.433 1.507 19286 2744 1 9 . 1 1 113 113 GLU H H 113 8.530 8.530 8.043 0.487 19286 2745 1 9 . 1 1 114 114 ALA N N 114 117.790 117.790 121.457 -3.667 19286 2746 1 9 . 1 1 114 114 ALA HA H 114 4.140 4.140 4.096 0.044 19286 2747 1 9 . 1 1 114 114 ALA CA C 114 55.540 55.540 55.015 0.525 19286 2748 1 9 . 1 1 114 114 ALA CB C 114 18.440 18.440 18.938 -0.498 19286 2749 1 9 . 1 1 114 114 ALA H H 114 7.480 7.480 8.125 -0.645 19286 2750 1 9 . 1 1 115 115 VAL N N 115 116.000 116.000 114.273 1.727 19286 2751 1 9 . 1 1 115 115 VAL HA H 115 4.030 4.030 4.050 -0.019 19286 2752 1 9 . 1 1 115 115 VAL CA C 115 65.940 65.940 63.761 2.179 19286 2753 1 9 . 1 1 115 115 VAL H H 115 7.540 7.540 7.784 -0.244 19286 2754 1 9 . 1 1 116 116 LEU HA H 116 4.280 4.280 4.483 -0.203 19286 2755 1 9 . 1 1 116 116 LEU CA C 116 57.570 57.570 57.356 0.214 19286 2756 1 9 . 1 1 117 117 VAL N N 117 119.140 119.140 119.028 0.112 19286 2757 1 9 . 1 1 117 117 VAL H H 117 8.200 8.200 7.701 0.499 19286 2758 1 9 . 1 1 120 120 SER N N 120 115.730 115.730 116.611 -0.881 19286 2759 1 9 . 1 1 120 120 SER H H 120 7.780 7.780 7.880 -0.100 19286 2760 1 9 . 1 1 121 121 LYS N N 121 120.870 120.870 121.867 -0.997 19286 2761 1 9 . 1 1 121 121 LYS H H 121 7.540 7.540 8.130 -0.590 19286 2762 1 9 . 1 1 122 122 GLU N N 122 120.160 120.160 118.563 1.597 19286 2763 1 9 . 1 1 122 122 GLU H H 122 8.140 8.140 8.600 -0.460 19286 2764 1 10 . 1 1 4 4 MET N N 4 121.520 121.520 119.155 2.365 19286 2765 1 10 . 1 1 4 4 MET H H 4 8.450 8.450 8.053 0.397 19286 2766 1 10 . 1 1 5 5 THR N N 5 115.270 115.270 111.854 3.416 19286 2767 1 10 . 1 1 5 5 THR H H 5 8.090 8.090 8.058 0.032 19286 2768 1 10 . 1 1 6 6 GLU N N 6 123.580 123.580 119.425 4.155 19286 2769 1 10 . 1 1 6 6 GLU H H 6 8.430 8.430 8.599 -0.169 19286 2770 1 10 . 1 1 7 7 ARG N N 7 120.850 120.850 119.670 1.180 19286 2771 1 10 . 1 1 7 7 ARG H H 7 8.030 8.030 8.018 0.012 19286 2772 1 10 . 1 1 8 8 ARG N N 8 125.410 125.410 120.836 4.574 19286 2773 1 10 . 1 1 8 8 ARG HA H 8 4.370 4.370 4.040 0.330 19286 2774 1 10 . 1 1 8 8 ARG H H 8 8.310 8.310 8.121 0.189 19286 2775 1 10 . 1 1 9 9 LEU N N 9 130.330 130.330 118.304 12.026 19286 2776 1 10 . 1 1 9 9 LEU HA H 9 4.610 4.610 4.488 0.122 19286 2777 1 10 . 1 1 9 9 LEU H H 9 11.100 11.100 7.651 3.449 19286 2778 1 10 . 1 1 10 10 ARG N N 10 121.420 121.420 122.463 -1.043 19286 2779 1 10 . 1 1 10 10 ARG HA H 10 5.010 5.010 3.792 1.218 19286 2780 1 10 . 1 1 10 10 ARG CA C 10 55.940 55.940 54.163 1.777 19286 2781 1 10 . 1 1 10 10 ARG H H 10 9.620 9.620 8.469 1.151 19286 2782 1 10 . 1 1 11 11 VAL N N 11 125.110 125.110 117.124 7.986 19286 2783 1 10 . 1 1 11 11 VAL HA H 11 4.970 4.970 4.472 0.498 19286 2784 1 10 . 1 1 11 11 VAL H H 11 9.210 9.210 8.313 0.897 19286 2785 1 10 . 1 1 12 12 LEU N N 12 130.050 130.050 128.538 1.512 19286 2786 1 10 . 1 1 12 12 LEU HA H 12 4.780 4.780 4.672 0.108 19286 2787 1 10 . 1 1 12 12 LEU H H 12 8.260 8.260 8.436 -0.176 19286 2788 1 10 . 1 1 13 13 VAL N N 13 128.060 128.060 125.561 2.499 19286 2789 1 10 . 1 1 13 13 VAL HA H 13 4.610 4.610 4.318 0.292 19286 2790 1 10 . 1 1 13 13 VAL H H 13 8.330 8.330 8.147 0.183 19286 2791 1 10 . 1 1 14 14 VAL N N 14 128.470 128.470 121.043 7.427 19286 2792 1 10 . 1 1 14 14 VAL HA H 14 4.700 4.700 4.789 -0.089 19286 2793 1 10 . 1 1 14 14 VAL H H 14 8.840 8.840 8.663 0.177 19286 2794 1 10 . 1 1 15 15 GLU N N 15 124.840 124.840 123.634 1.206 19286 2795 1 10 . 1 1 15 15 GLU HA H 15 4.620 4.620 4.791 -0.171 19286 2796 1 10 . 1 1 15 15 GLU H H 15 7.950 7.950 8.422 -0.472 19286 2797 1 10 . 1 1 16 16 ASP N N 16 125.840 125.840 118.921 6.919 19286 2798 1 10 . 1 1 16 16 ASP HA H 16 4.540 4.540 4.400 0.140 19286 2799 1 10 . 1 1 16 16 ASP H H 16 9.360 9.360 8.872 0.488 19286 2800 1 10 . 1 1 17 17 GLU HA H 17 4.290 4.290 4.568 -0.278 19286 2801 1 10 . 1 1 17 17 GLU CA C 17 55.540 55.540 55.810 -0.270 19286 2802 1 10 . 1 1 18 18 SER N N 18 124.990 124.990 116.712 8.278 19286 2803 1 10 . 1 1 18 18 SER HA H 18 4.610 4.610 4.445 0.165 19286 2804 1 10 . 1 1 18 18 SER H H 18 8.820 8.820 8.845 -0.025 19286 2805 1 10 . 1 1 19 19 MET N N 19 119.940 119.940 123.337 -3.397 19286 2806 1 10 . 1 1 19 19 MET H H 19 9.030 9.030 8.250 0.780 19286 2807 1 10 . 1 1 20 20 ILE N N 20 118.700 118.700 118.905 -0.205 19286 2808 1 10 . 1 1 20 20 ILE H H 20 7.200 7.200 7.722 -0.522 19286 2809 1 10 . 1 1 21 21 ALA N N 21 123.500 123.500 123.330 0.170 19286 2810 1 10 . 1 1 21 21 ALA CB C 21 18.860 18.860 18.433 0.427 19286 2811 1 10 . 1 1 21 21 ALA H H 21 8.370 8.370 7.701 0.669 19286 2812 1 10 . 1 1 22 22 MET N N 22 115.790 115.790 118.345 -2.555 19286 2813 1 10 . 1 1 22 22 MET HA H 22 4.160 4.160 4.328 -0.168 19286 2814 1 10 . 1 1 22 22 MET CA C 22 58.440 58.440 57.790 0.650 19286 2815 1 10 . 1 1 22 22 MET H H 22 8.090 8.090 7.741 0.349 19286 2816 1 10 . 1 1 23 23 LEU N N 23 120.400 120.400 119.478 0.922 19286 2817 1 10 . 1 1 23 23 LEU H H 23 7.490 7.490 7.632 -0.142 19286 2818 1 10 . 1 1 24 24 ILE N N 24 120.840 120.840 120.447 0.393 19286 2819 1 10 . 1 1 24 24 ILE HA H 24 3.520 3.520 4.243 -0.723 19286 2820 1 10 . 1 1 24 24 ILE CA C 24 67.190 67.190 62.937 4.253 19286 2821 1 10 . 1 1 24 24 ILE CB C 24 38.440 38.440 39.706 -1.266 19286 2822 1 10 . 1 1 24 24 ILE H H 24 8.630 8.630 7.771 0.859 19286 2823 1 10 . 1 1 25 25 GLU N N 25 119.380 119.380 120.155 -0.775 19286 2824 1 10 . 1 1 25 25 GLU H H 25 8.550 8.550 7.850 0.700 19286 2825 1 10 . 1 1 26 26 ASP N N 26 119.700 119.700 116.430 3.270 19286 2826 1 10 . 1 1 26 26 ASP H H 26 8.890 8.890 7.864 1.026 19286 2827 1 10 . 1 1 27 27 THR N N 27 117.460 117.460 114.195 3.265 19286 2828 1 10 . 1 1 27 27 THR HA H 27 4.270 4.270 4.033 0.237 19286 2829 1 10 . 1 1 27 27 THR CA C 27 68.890 68.890 65.664 3.226 19286 2830 1 10 . 1 1 27 27 THR H H 27 8.100 8.100 7.315 0.785 19286 2831 1 10 . 1 1 28 28 LEU N N 28 120.440 120.440 122.155 -1.715 19286 2832 1 10 . 1 1 28 28 LEU HA H 28 3.920 3.920 4.067 -0.147 19286 2833 1 10 . 1 1 28 28 LEU CA C 28 58.440 58.440 57.882 0.558 19286 2834 1 10 . 1 1 28 28 LEU H H 28 8.610 8.610 8.349 0.261 19286 2835 1 10 . 1 1 29 29 CYS N N 29 116.920 116.920 118.246 -1.326 19286 2836 1 10 . 1 1 29 29 CYS H H 29 8.180 8.180 8.037 0.143 19286 2837 1 10 . 1 1 30 30 GLU N N 30 122.820 122.820 119.566 3.254 19286 2838 1 10 . 1 1 30 30 GLU HA H 30 4.160 4.160 4.227 -0.067 19286 2839 1 10 . 1 1 30 30 GLU CA C 30 59.690 59.690 58.000 1.690 19286 2840 1 10 . 1 1 30 30 GLU H H 30 8.060 8.060 7.751 0.309 19286 2841 1 10 . 1 1 31 31 LEU N N 31 116.980 116.980 118.706 -1.726 19286 2842 1 10 . 1 1 31 31 LEU H H 31 7.660 7.660 7.640 0.020 19286 2843 1 10 . 1 1 32 32 GLY N N 32 105.410 105.410 106.148 -0.738 19286 2844 1 10 . 1 1 32 32 GLY H H 32 7.600 7.600 8.349 -0.749 19286 2845 1 10 . 1 1 33 33 HIS N N 33 119.380 119.380 117.461 1.919 19286 2846 1 10 . 1 1 33 33 HIS HA H 33 5.130 5.130 4.772 0.358 19286 2847 1 10 . 1 1 33 33 HIS CA C 33 56.350 56.350 55.740 0.610 19286 2848 1 10 . 1 1 33 33 HIS CB C 33 33.470 33.470 31.514 1.956 19286 2849 1 10 . 1 1 33 33 HIS H H 33 7.780 7.780 7.512 0.268 19286 2850 1 10 . 1 1 34 34 GLU N N 34 117.930 117.930 120.922 -2.992 19286 2851 1 10 . 1 1 34 34 GLU H H 34 8.870 8.870 8.239 0.631 19286 2852 1 10 . 1 1 35 35 VAL N N 35 125.860 125.860 115.145 10.715 19286 2853 1 10 . 1 1 35 35 VAL HA H 35 4.710 4.710 4.353 0.357 19286 2854 1 10 . 1 1 35 35 VAL H H 35 8.870 8.870 7.979 0.891 19286 2855 1 10 . 1 1 36 36 ALA N N 36 132.950 132.950 128.949 4.001 19286 2856 1 10 . 1 1 36 36 ALA HA H 36 4.200 4.200 4.463 -0.263 19286 2857 1 10 . 1 1 36 36 ALA CB C 36 23.860 23.860 20.282 3.578 19286 2858 1 10 . 1 1 36 36 ALA H H 36 9.110 9.110 8.078 1.032 19286 2859 1 10 . 1 1 37 37 ALA N N 37 115.420 115.420 120.289 -4.869 19286 2860 1 10 . 1 1 37 37 ALA H H 37 7.480 7.480 8.026 -0.546 19286 2861 1 10 . 1 1 38 38 THR N N 38 112.980 112.980 117.522 -4.542 19286 2862 1 10 . 1 1 38 38 THR H H 38 8.170 8.170 8.502 -0.332 19286 2863 1 10 . 1 1 39 39 ALA CB C 39 22.610 22.610 19.032 3.578 19286 2864 1 10 . 1 1 40 40 SER N N 40 113.630 113.630 115.703 -2.073 19286 2865 1 10 . 1 1 40 40 SER HA H 40 4.450 4.450 4.475 -0.025 19286 2866 1 10 . 1 1 40 40 SER CA C 40 57.480 57.480 58.778 -1.298 19286 2867 1 10 . 1 1 40 40 SER H H 40 8.980 8.980 8.595 0.385 19286 2868 1 10 . 1 1 41 41 ARG N N 41 117.890 117.890 127.978 -10.088 19286 2869 1 10 . 1 1 41 41 ARG CB C 41 34.110 34.110 32.531 1.579 19286 2870 1 10 . 1 1 41 41 ARG H H 41 7.340 7.340 8.545 -1.205 19286 2871 1 10 . 1 1 42 42 MET N N 42 123.460 123.460 125.146 -1.686 19286 2872 1 10 . 1 1 42 42 MET HA H 42 4.040 4.040 3.491 0.549 19286 2873 1 10 . 1 1 42 42 MET H H 42 9.340 9.340 8.810 0.530 19286 2874 1 10 . 1 1 43 43 GLN N N 43 117.010 117.010 119.219 -2.209 19286 2875 1 10 . 1 1 43 43 GLN H H 43 8.940 8.940 8.123 0.817 19286 2876 1 10 . 1 1 44 44 GLU N N 44 117.430 117.430 120.107 -2.677 19286 2877 1 10 . 1 1 44 44 GLU CB C 44 26.690 26.690 29.070 -2.380 19286 2878 1 10 . 1 1 44 44 GLU H H 44 7.160 7.160 8.266 -1.106 19286 2879 1 10 . 1 1 45 45 ALA N N 45 121.060 121.060 122.194 -1.134 19286 2880 1 10 . 1 1 45 45 ALA HA H 45 3.680 3.680 4.063 -0.383 19286 2881 1 10 . 1 1 45 45 ALA CA C 45 55.940 55.940 55.487 0.453 19286 2882 1 10 . 1 1 45 45 ALA CB C 45 20.940 20.940 18.526 2.414 19286 2883 1 10 . 1 1 45 45 ALA H H 45 8.220 8.220 8.396 -0.176 19286 2884 1 10 . 1 1 46 46 LEU N N 46 116.750 116.750 119.066 -2.316 19286 2885 1 10 . 1 1 46 46 LEU H H 46 8.350 8.350 7.613 0.737 19286 2886 1 10 . 1 1 47 47 ASP N N 47 117.760 117.760 119.091 -1.331 19286 2887 1 10 . 1 1 47 47 ASP H H 47 7.400 7.400 7.873 -0.473 19286 2888 1 10 . 1 1 48 48 ILE N N 48 118.660 118.660 117.605 1.055 19286 2889 1 10 . 1 1 48 48 ILE H H 48 8.220 8.220 7.837 0.383 19286 2890 1 10 . 1 1 49 49 ALA N N 49 123.150 123.150 122.535 0.615 19286 2891 1 10 . 1 1 49 49 ALA HA H 49 4.040 4.040 3.918 0.122 19286 2892 1 10 . 1 1 49 49 ALA CA C 49 55.940 55.940 54.245 1.695 19286 2893 1 10 . 1 1 49 49 ALA CB C 49 18.120 18.120 18.489 -0.369 19286 2894 1 10 . 1 1 49 49 ALA H H 49 8.610 8.610 7.562 1.048 19286 2895 1 10 . 1 1 50 50 ARG N N 50 113.110 113.110 117.092 -3.982 19286 2896 1 10 . 1 1 50 50 ARG CB C 50 26.570 26.570 30.199 -3.629 19286 2897 1 10 . 1 1 50 50 ARG H H 50 7.440 7.440 8.251 -0.811 19286 2898 1 10 . 1 1 51 51 LYS N N 51 114.910 114.910 118.912 -4.002 19286 2899 1 10 . 1 1 51 51 LYS H H 51 7.550 7.550 7.832 -0.282 19286 2900 1 10 . 1 1 52 52 GLY N N 52 108.150 108.150 106.103 2.047 19286 2901 1 10 . 1 1 52 52 GLY H H 52 8.920 8.920 7.726 1.194 19286 2902 1 10 . 1 1 53 53 GLN N N 53 120.450 120.450 119.610 0.840 19286 2903 1 10 . 1 1 53 53 GLN H H 53 8.320 8.320 7.698 0.622 19286 2904 1 10 . 1 1 54 54 PHE N N 54 119.090 119.090 117.130 1.960 19286 2905 1 10 . 1 1 54 54 PHE H H 54 7.180 7.180 8.179 -0.999 19286 2906 1 10 . 1 1 55 55 ASP N N 55 117.290 117.290 119.309 -2.019 19286 2907 1 10 . 1 1 55 55 ASP H H 55 9.330 9.330 8.760 0.570 19286 2908 1 10 . 1 1 56 56 ILE N N 56 109.550 109.550 118.205 -8.655 19286 2909 1 10 . 1 1 56 56 ILE HA H 56 5.220 5.220 4.026 1.194 19286 2910 1 10 . 1 1 56 56 ILE CA C 56 59.690 59.690 59.379 0.311 19286 2911 1 10 . 1 1 56 56 ILE H H 56 7.690 7.690 7.974 -0.284 19286 2912 1 10 . 1 1 57 57 ALA N N 57 122.390 122.390 123.546 -1.156 19286 2913 1 10 . 1 1 57 57 ALA HA H 57 5.480 5.480 5.380 0.100 19286 2914 1 10 . 1 1 57 57 ALA CA C 57 50.940 50.940 51.082 -0.142 19286 2915 1 10 . 1 1 57 57 ALA H H 57 8.000 8.000 7.860 0.140 19286 2916 1 10 . 1 1 59 59 ILE N N 59 122.950 122.950 129.228 -6.278 19286 2917 1 10 . 1 1 59 59 ILE HA H 59 4.990 4.990 4.602 0.388 19286 2918 1 10 . 1 1 59 59 ILE CA C 59 57.190 57.190 60.679 -3.489 19286 2919 1 10 . 1 1 59 59 ILE H H 59 8.930 8.930 8.325 0.605 19286 2920 1 10 . 1 1 60 60 ASP N N 60 127.320 127.320 124.616 2.704 19286 2921 1 10 . 1 1 60 60 ASP HA H 60 5.100 5.100 4.710 0.390 19286 2922 1 10 . 1 1 60 60 ASP CA C 60 55.100 55.100 54.572 0.528 19286 2923 1 10 . 1 1 60 60 ASP H H 60 8.360 8.360 8.108 0.252 19286 2924 1 10 . 1 1 61 61 VAL N N 61 121.040 121.040 117.715 3.325 19286 2925 1 10 . 1 1 61 61 VAL HA H 61 3.700 3.700 3.749 -0.049 19286 2926 1 10 . 1 1 61 61 VAL CA C 61 64.630 64.630 63.452 1.178 19286 2927 1 10 . 1 1 61 61 VAL CB C 61 31.590 31.590 31.955 -0.365 19286 2928 1 10 . 1 1 61 61 VAL H H 61 8.540 8.540 8.487 0.053 19286 2929 1 10 . 1 1 63 63 LEU N N 63 121.830 121.830 114.376 7.454 19286 2930 1 10 . 1 1 63 63 LEU HA H 63 4.400 4.400 4.815 -0.415 19286 2931 1 10 . 1 1 63 63 LEU CA C 63 52.810 52.810 54.093 -1.283 19286 2932 1 10 . 1 1 63 63 LEU H H 63 8.960 8.960 7.347 1.613 19286 2933 1 10 . 1 1 64 64 ASP N N 64 128.450 128.450 121.355 7.095 19286 2934 1 10 . 1 1 64 64 ASP HA H 64 4.290 4.290 4.327 -0.037 19286 2935 1 10 . 1 1 64 64 ASP CA C 64 55.940 55.940 55.467 0.473 19286 2936 1 10 . 1 1 64 64 ASP CB C 64 40.390 40.390 39.377 1.013 19286 2937 1 10 . 1 1 64 64 ASP H H 64 9.840 9.840 9.136 0.704 19286 2938 1 10 . 1 1 65 65 GLY N N 65 133.580 133.580 103.834 29.746 19286 2939 1 10 . 1 1 65 65 GLY H H 65 8.400 8.400 7.832 0.568 19286 2940 1 10 . 1 1 66 66 GLU N N 66 121.110 121.110 120.999 0.111 19286 2941 1 10 . 1 1 66 66 GLU HA H 66 4.920 4.920 4.029 0.891 19286 2942 1 10 . 1 1 66 66 GLU CA C 66 53.100 53.100 56.751 -3.651 19286 2943 1 10 . 1 1 66 66 GLU H H 66 7.790 7.790 8.086 -0.296 19286 2944 1 10 . 1 1 69 69 TYR N N 69 120.020 120.020 117.423 2.597 19286 2945 1 10 . 1 1 69 69 TYR HA H 69 4.410 4.410 4.174 0.236 19286 2946 1 10 . 1 1 69 69 TYR CA C 69 60.970 60.970 57.624 3.346 19286 2947 1 10 . 1 1 69 69 TYR H H 69 6.480 6.480 7.426 -0.946 19286 2948 1 10 . 1 1 71 71 VAL N N 71 115.000 115.000 121.635 -6.635 19286 2949 1 10 . 1 1 71 71 VAL H H 71 7.640 7.640 7.715 -0.075 19286 2950 1 10 . 1 1 72 72 ALA N N 72 122.000 122.000 122.426 -0.426 19286 2951 1 10 . 1 1 72 72 ALA CB C 72 20.110 20.110 17.658 2.452 19286 2952 1 10 . 1 1 72 72 ALA H H 72 6.890 6.890 7.821 -0.931 19286 2953 1 10 . 1 1 73 73 ASP N N 73 116.020 116.020 118.589 -2.569 19286 2954 1 10 . 1 1 73 73 ASP H H 73 8.610 8.610 7.623 0.987 19286 2955 1 10 . 1 1 74 74 ILE N N 74 120.950 120.950 120.715 0.235 19286 2956 1 10 . 1 1 74 74 ILE H H 74 7.060 7.060 7.666 -0.606 19286 2957 1 10 . 1 1 75 75 LEU N N 75 119.760 119.760 119.507 0.253 19286 2958 1 10 . 1 1 75 75 LEU H H 75 7.460 7.460 8.958 -1.498 19286 2959 1 10 . 1 1 76 76 ALA N N 76 121.160 121.160 119.844 1.316 19286 2960 1 10 . 1 1 76 76 ALA H H 76 8.910 8.910 7.813 1.097 19286 2961 1 10 . 1 1 77 77 GLU N N 77 120.340 120.340 118.257 2.083 19286 2962 1 10 . 1 1 77 77 GLU H H 77 7.800 7.800 8.232 -0.432 19286 2963 1 10 . 1 1 78 78 ARG N N 78 116.210 116.210 116.375 -0.165 19286 2964 1 10 . 1 1 78 78 ARG H H 78 7.740 7.740 8.078 -0.338 19286 2965 1 10 . 1 1 79 79 ASN N N 79 116.230 116.230 117.612 -1.382 19286 2966 1 10 . 1 1 79 79 ASN H H 79 8.030 8.030 7.963 0.067 19286 2967 1 10 . 1 1 80 80 VAL N N 80 121.200 121.200 120.305 0.895 19286 2968 1 10 . 1 1 80 80 VAL H H 80 8.200 8.200 7.193 1.007 19286 2969 1 10 . 1 1 82 82 PHE N N 82 113.440 113.440 119.141 -5.701 19286 2970 1 10 . 1 1 82 82 PHE HA H 82 5.690 5.690 4.841 0.849 19286 2971 1 10 . 1 1 82 82 PHE CA C 82 55.480 55.480 55.891 -0.410 19286 2972 1 10 . 1 1 82 82 PHE CB C 82 43.610 43.610 40.055 3.555 19286 2973 1 10 . 1 1 82 82 PHE H H 82 7.310 7.310 7.533 -0.223 19286 2974 1 10 . 1 1 83 83 ILE N N 83 115.230 115.230 117.873 -2.643 19286 2975 1 10 . 1 1 83 83 ILE HA H 83 4.260 4.260 4.056 0.204 19286 2976 1 10 . 1 1 83 83 ILE CA C 83 59.690 59.690 60.113 -0.423 19286 2977 1 10 . 1 1 83 83 ILE H H 83 7.880 7.880 7.898 -0.018 19286 2978 1 10 . 1 1 84 84 PHE N N 84 122.680 122.680 123.612 -0.932 19286 2979 1 10 . 1 1 84 84 PHE HA H 84 6.190 6.190 4.753 1.437 19286 2980 1 10 . 1 1 84 84 PHE CA C 84 55.470 55.470 56.156 -0.686 19286 2981 1 10 . 1 1 84 84 PHE H H 84 8.360 8.360 8.350 0.010 19286 2982 1 10 . 1 1 85 85 ALA N N 85 123.760 123.760 125.580 -1.820 19286 2983 1 10 . 1 1 85 85 ALA HA H 85 5.540 5.540 5.237 0.303 19286 2984 1 10 . 1 1 85 85 ALA CA C 85 50.940 50.940 51.730 -0.790 19286 2985 1 10 . 1 1 85 85 ALA H H 85 8.570 8.570 8.460 0.110 19286 2986 1 10 . 1 1 86 86 THR N N 86 114.260 114.260 115.413 -1.153 19286 2987 1 10 . 1 1 86 86 THR HA H 86 4.290 4.290 4.402 -0.112 19286 2988 1 10 . 1 1 86 86 THR CA C 86 56.720 56.720 61.207 -4.487 19286 2989 1 10 . 1 1 86 86 THR CB C 86 69.610 69.610 68.853 0.757 19286 2990 1 10 . 1 1 86 86 THR H H 86 8.640 8.640 7.840 0.800 19286 2991 1 10 . 1 1 87 87 GLY N N 87 112.830 112.830 109.066 3.764 19286 2992 1 10 . 1 1 87 87 GLY H H 87 8.590 8.590 7.833 0.757 19286 2993 1 10 . 1 1 89 89 GLY N N 89 111.750 111.750 106.909 4.841 19286 2994 1 10 . 1 1 89 89 GLY H H 89 8.300 8.300 8.443 -0.143 19286 2995 1 10 . 1 1 90 90 SER CA C 90 57.970 57.970 58.285 -0.315 19286 2996 1 10 . 1 1 90 90 SER H H 90 4.990 4.990 8.150 -3.160 19286 2997 1 10 . 1 1 91 91 LYS N N 91 122.950 122.950 120.781 2.169 19286 2998 1 10 . 1 1 91 91 LYS H H 91 8.180 8.180 8.554 -0.374 19286 2999 1 10 . 1 1 92 92 GLY N N 92 109.390 109.390 108.287 1.103 19286 3000 1 10 . 1 1 92 92 GLY H H 92 8.320 8.320 7.716 0.604 19286 3001 1 10 . 1 1 93 93 LEU N N 93 121.760 121.760 120.657 1.103 19286 3002 1 10 . 1 1 93 93 LEU CB C 93 42.970 42.970 42.970 -0.000 19286 3003 1 10 . 1 1 93 93 LEU H H 93 7.910 7.910 7.561 0.349 19286 3004 1 10 . 1 1 94 94 ASP N N 94 122.710 122.710 122.374 0.336 19286 3005 1 10 . 1 1 94 94 ASP H H 94 7.650 7.650 8.474 -0.824 19286 3006 1 10 . 1 1 95 95 THR N N 95 117.650 117.650 113.091 4.559 19286 3007 1 10 . 1 1 95 95 THR H H 95 8.210 8.210 8.381 -0.171 19286 3008 1 10 . 1 1 96 96 ARG N N 96 122.360 122.360 126.073 -3.713 19286 3009 1 10 . 1 1 96 96 ARG H H 96 8.700 8.700 8.591 0.109 19286 3010 1 10 . 1 1 97 97 TYR N N 97 117.080 117.080 117.089 -0.009 19286 3011 1 10 . 1 1 97 97 TYR CB C 97 39.220 39.220 38.409 0.811 19286 3012 1 10 . 1 1 97 97 TYR H H 97 8.000 8.000 7.641 0.359 19286 3013 1 10 . 1 1 98 98 SER N N 98 114.730 114.730 110.613 4.117 19286 3014 1 10 . 1 1 98 98 SER H H 98 7.580 7.580 8.191 -0.611 19286 3015 1 10 . 1 1 99 99 ASN N N 99 117.230 117.230 117.109 0.121 19286 3016 1 10 . 1 1 99 99 ASN H H 99 8.600 8.600 8.572 0.028 19286 3017 1 10 . 1 1 100 100 ILE N N 100 124.250 124.250 117.699 6.551 19286 3018 1 10 . 1 1 100 100 ILE H H 100 7.520 7.520 8.113 -0.593 19286 3019 1 10 . 1 1 102 102 LEU N N 102 121.060 121.060 118.628 2.432 19286 3020 1 10 . 1 1 102 102 LEU H H 102 7.870 7.870 7.349 0.521 19286 3021 1 10 . 1 1 103 103 LEU N N 103 126.970 126.970 116.497 10.473 19286 3022 1 10 . 1 1 103 103 LEU HA H 103 4.620 4.620 5.091 -0.471 19286 3023 1 10 . 1 1 103 103 LEU CA C 103 54.690 54.690 54.489 0.202 19286 3024 1 10 . 1 1 103 103 LEU H H 103 9.080 9.080 7.828 1.252 19286 3025 1 10 . 1 1 104 104 THR N N 104 118.430 118.430 112.812 5.618 19286 3026 1 10 . 1 1 104 104 THR HA H 104 4.760 4.760 4.368 0.392 19286 3027 1 10 . 1 1 104 104 THR CA C 104 63.440 63.440 61.203 2.237 19286 3028 1 10 . 1 1 104 104 THR H H 104 8.430 8.430 8.067 0.363 19286 3029 1 10 . 1 1 105 105 LYS N N 105 122.030 122.030 119.093 2.937 19286 3030 1 10 . 1 1 105 105 LYS HA H 105 4.290 4.290 4.425 -0.135 19286 3031 1 10 . 1 1 105 105 LYS CA C 105 54.690 54.690 55.387 -0.697 19286 3032 1 10 . 1 1 105 105 LYS H H 105 8.170 8.170 8.298 -0.128 19286 3033 1 10 . 1 1 107 107 PHE N N 107 118.490 118.490 116.459 2.031 19286 3034 1 10 . 1 1 107 107 PHE H H 107 7.470 7.470 7.230 0.240 19286 3035 1 10 . 1 1 109 109 ASP N N 109 124.810 124.810 113.673 11.137 19286 3036 1 10 . 1 1 109 109 ASP HA H 109 4.710 4.710 4.572 0.138 19286 3037 1 10 . 1 1 109 109 ASP H H 109 9.130 9.130 7.994 1.136 19286 3038 1 10 . 1 1 110 110 SER HA H 110 4.270 4.270 3.996 0.274 19286 3039 1 10 . 1 1 110 110 SER CA C 110 59.690 59.690 61.581 -1.891 19286 3040 1 10 . 1 1 111 111 GLU N N 111 123.780 123.780 120.070 3.710 19286 3041 1 10 . 1 1 111 111 GLU HA H 111 4.060 4.060 4.022 0.038 19286 3042 1 10 . 1 1 111 111 GLU CA C 111 58.440 58.440 59.711 -1.271 19286 3043 1 10 . 1 1 111 111 GLU H H 111 7.410 7.410 8.356 -0.946 19286 3044 1 10 . 1 1 112 112 LEU N N 112 120.180 120.180 117.530 2.650 19286 3045 1 10 . 1 1 112 112 LEU HA H 112 3.900 3.900 3.895 0.005 19286 3046 1 10 . 1 1 112 112 LEU CA C 112 58.440 58.440 57.483 0.957 19286 3047 1 10 . 1 1 112 112 LEU H H 112 7.670 7.670 7.811 -0.141 19286 3048 1 10 . 1 1 113 113 GLU N N 113 118.380 118.380 119.272 -0.892 19286 3049 1 10 . 1 1 113 113 GLU HA H 113 3.730 3.730 3.819 -0.089 19286 3050 1 10 . 1 1 113 113 GLU CA C 113 60.940 60.940 59.689 1.251 19286 3051 1 10 . 1 1 113 113 GLU H H 113 8.530 8.530 8.625 -0.095 19286 3052 1 10 . 1 1 114 114 ALA N N 114 117.790 117.790 121.161 -3.371 19286 3053 1 10 . 1 1 114 114 ALA HA H 114 4.140 4.140 4.110 0.030 19286 3054 1 10 . 1 1 114 114 ALA CA C 114 55.540 55.540 55.135 0.405 19286 3055 1 10 . 1 1 114 114 ALA CB C 114 18.440 18.440 18.671 -0.231 19286 3056 1 10 . 1 1 114 114 ALA H H 114 7.480 7.480 7.770 -0.290 19286 3057 1 10 . 1 1 115 115 VAL N N 115 116.000 116.000 114.822 1.178 19286 3058 1 10 . 1 1 115 115 VAL HA H 115 4.030 4.030 4.158 -0.128 19286 3059 1 10 . 1 1 115 115 VAL CA C 115 65.940 65.940 62.942 2.998 19286 3060 1 10 . 1 1 115 115 VAL H H 115 7.540 7.540 8.017 -0.477 19286 3061 1 10 . 1 1 116 116 LEU HA H 116 4.280 4.280 4.325 -0.045 19286 3062 1 10 . 1 1 116 116 LEU CA C 116 57.570 57.570 57.397 0.173 19286 3063 1 10 . 1 1 117 117 VAL N N 117 119.140 119.140 117.362 1.778 19286 3064 1 10 . 1 1 117 117 VAL H H 117 8.200 8.200 7.705 0.495 19286 3065 1 10 . 1 1 120 120 SER N N 120 115.730 115.730 116.528 -0.798 19286 3066 1 10 . 1 1 120 120 SER H H 120 7.780 7.780 7.921 -0.141 19286 3067 1 10 . 1 1 121 121 LYS N N 121 120.870 120.870 121.491 -0.621 19286 3068 1 10 . 1 1 121 121 LYS H H 121 7.540 7.540 8.277 -0.737 19286 3069 1 10 . 1 1 122 122 GLU N N 122 120.160 120.160 116.074 4.086 19286 3070 1 10 . 1 1 122 122 GLU H H 122 8.140 8.140 8.299 -0.159 19286 3071 1 11 . 1 1 4 4 MET N N 4 121.520 121.520 117.627 3.893 19286 3072 1 11 . 1 1 4 4 MET H H 4 8.450 8.450 7.618 0.832 19286 3073 1 11 . 1 1 5 5 THR N N 5 115.270 115.270 112.352 2.918 19286 3074 1 11 . 1 1 5 5 THR H H 5 8.090 8.090 8.113 -0.023 19286 3075 1 11 . 1 1 6 6 GLU N N 6 123.580 123.580 117.925 5.655 19286 3076 1 11 . 1 1 6 6 GLU H H 6 8.430 8.430 8.601 -0.171 19286 3077 1 11 . 1 1 7 7 ARG N N 7 120.850 120.850 116.814 4.036 19286 3078 1 11 . 1 1 7 7 ARG H H 7 8.030 8.030 7.785 0.245 19286 3079 1 11 . 1 1 8 8 ARG N N 8 125.410 125.410 120.265 5.145 19286 3080 1 11 . 1 1 8 8 ARG HA H 8 4.370 4.370 4.354 0.016 19286 3081 1 11 . 1 1 8 8 ARG H H 8 8.310 8.310 7.962 0.348 19286 3082 1 11 . 1 1 9 9 LEU N N 9 130.330 130.330 121.027 9.303 19286 3083 1 11 . 1 1 9 9 LEU HA H 9 4.610 4.610 4.692 -0.082 19286 3084 1 11 . 1 1 9 9 LEU H H 9 11.100 11.100 8.114 2.986 19286 3085 1 11 . 1 1 10 10 ARG N N 10 121.420 121.420 121.344 0.076 19286 3086 1 11 . 1 1 10 10 ARG HA H 10 5.010 5.010 4.493 0.517 19286 3087 1 11 . 1 1 10 10 ARG CA C 10 55.940 55.940 53.394 2.546 19286 3088 1 11 . 1 1 10 10 ARG H H 10 9.620 9.620 8.591 1.029 19286 3089 1 11 . 1 1 11 11 VAL N N 11 125.110 125.110 115.756 9.354 19286 3090 1 11 . 1 1 11 11 VAL HA H 11 4.970 4.970 4.573 0.397 19286 3091 1 11 . 1 1 11 11 VAL H H 11 9.210 9.210 8.204 1.006 19286 3092 1 11 . 1 1 12 12 LEU N N 12 130.050 130.050 128.194 1.856 19286 3093 1 11 . 1 1 12 12 LEU HA H 12 4.780 4.780 4.585 0.195 19286 3094 1 11 . 1 1 12 12 LEU H H 12 8.260 8.260 8.963 -0.703 19286 3095 1 11 . 1 1 13 13 VAL N N 13 128.060 128.060 124.330 3.730 19286 3096 1 11 . 1 1 13 13 VAL HA H 13 4.610 4.610 4.115 0.495 19286 3097 1 11 . 1 1 13 13 VAL H H 13 8.330 8.330 8.206 0.124 19286 3098 1 11 . 1 1 14 14 VAL N N 14 128.470 128.470 123.622 4.848 19286 3099 1 11 . 1 1 14 14 VAL HA H 14 4.700 4.700 4.528 0.172 19286 3100 1 11 . 1 1 14 14 VAL H H 14 8.840 8.840 8.878 -0.038 19286 3101 1 11 . 1 1 15 15 GLU N N 15 124.840 124.840 125.926 -1.086 19286 3102 1 11 . 1 1 15 15 GLU HA H 15 4.620 4.620 4.801 -0.181 19286 3103 1 11 . 1 1 15 15 GLU H H 15 7.950 7.950 8.112 -0.162 19286 3104 1 11 . 1 1 16 16 ASP N N 16 125.840 125.840 120.096 5.744 19286 3105 1 11 . 1 1 16 16 ASP HA H 16 4.540 4.540 4.332 0.208 19286 3106 1 11 . 1 1 16 16 ASP H H 16 9.360 9.360 8.811 0.549 19286 3107 1 11 . 1 1 17 17 GLU HA H 17 4.290 4.290 4.297 -0.007 19286 3108 1 11 . 1 1 17 17 GLU CA C 17 55.540 55.540 55.618 -0.078 19286 3109 1 11 . 1 1 18 18 SER N N 18 124.990 124.990 114.740 10.250 19286 3110 1 11 . 1 1 18 18 SER HA H 18 4.610 4.610 4.316 0.294 19286 3111 1 11 . 1 1 18 18 SER H H 18 8.820 8.820 8.640 0.180 19286 3112 1 11 . 1 1 19 19 MET N N 19 119.940 119.940 121.834 -1.894 19286 3113 1 11 . 1 1 19 19 MET H H 19 9.030 9.030 8.086 0.944 19286 3114 1 11 . 1 1 20 20 ILE N N 20 118.700 118.700 118.294 0.406 19286 3115 1 11 . 1 1 20 20 ILE H H 20 7.200 7.200 7.530 -0.330 19286 3116 1 11 . 1 1 21 21 ALA N N 21 123.500 123.500 124.549 -1.049 19286 3117 1 11 . 1 1 21 21 ALA CB C 21 18.860 18.860 17.869 0.991 19286 3118 1 11 . 1 1 21 21 ALA H H 21 8.370 8.370 8.280 0.090 19286 3119 1 11 . 1 1 22 22 MET N N 22 115.790 115.790 118.881 -3.091 19286 3120 1 11 . 1 1 22 22 MET HA H 22 4.160 4.160 4.183 -0.023 19286 3121 1 11 . 1 1 22 22 MET CA C 22 58.440 58.440 58.602 -0.162 19286 3122 1 11 . 1 1 22 22 MET H H 22 8.090 8.090 7.872 0.218 19286 3123 1 11 . 1 1 23 23 LEU N N 23 120.400 120.400 119.702 0.698 19286 3124 1 11 . 1 1 23 23 LEU H H 23 7.490 7.490 7.643 -0.153 19286 3125 1 11 . 1 1 24 24 ILE N N 24 120.840 120.840 120.112 0.728 19286 3126 1 11 . 1 1 24 24 ILE HA H 24 3.520 3.520 4.008 -0.488 19286 3127 1 11 . 1 1 24 24 ILE CA C 24 67.190 67.190 63.972 3.218 19286 3128 1 11 . 1 1 24 24 ILE CB C 24 38.440 38.440 39.135 -0.695 19286 3129 1 11 . 1 1 24 24 ILE H H 24 8.630 8.630 8.687 -0.057 19286 3130 1 11 . 1 1 25 25 GLU N N 25 119.380 119.380 119.398 -0.018 19286 3131 1 11 . 1 1 25 25 GLU H H 25 8.550 8.550 7.839 0.711 19286 3132 1 11 . 1 1 26 26 ASP N N 26 119.700 119.700 116.868 2.832 19286 3133 1 11 . 1 1 26 26 ASP H H 26 8.890 8.890 7.803 1.087 19286 3134 1 11 . 1 1 27 27 THR N N 27 117.460 117.460 116.730 0.730 19286 3135 1 11 . 1 1 27 27 THR HA H 27 4.270 4.270 4.121 0.149 19286 3136 1 11 . 1 1 27 27 THR CA C 27 68.890 68.890 65.215 3.675 19286 3137 1 11 . 1 1 27 27 THR H H 27 8.100 8.100 7.494 0.606 19286 3138 1 11 . 1 1 28 28 LEU N N 28 120.440 120.440 123.458 -3.018 19286 3139 1 11 . 1 1 28 28 LEU HA H 28 3.920 3.920 4.202 -0.282 19286 3140 1 11 . 1 1 28 28 LEU CA C 28 58.440 58.440 57.739 0.701 19286 3141 1 11 . 1 1 28 28 LEU H H 28 8.610 8.610 8.363 0.247 19286 3142 1 11 . 1 1 29 29 CYS N N 29 116.920 116.920 117.917 -0.997 19286 3143 1 11 . 1 1 29 29 CYS H H 29 8.180 8.180 8.034 0.146 19286 3144 1 11 . 1 1 30 30 GLU N N 30 122.820 122.820 119.831 2.989 19286 3145 1 11 . 1 1 30 30 GLU HA H 30 4.160 4.160 4.263 -0.103 19286 3146 1 11 . 1 1 30 30 GLU CA C 30 59.690 59.690 58.151 1.539 19286 3147 1 11 . 1 1 30 30 GLU H H 30 8.060 8.060 7.738 0.322 19286 3148 1 11 . 1 1 31 31 LEU N N 31 116.980 116.980 119.211 -2.231 19286 3149 1 11 . 1 1 31 31 LEU H H 31 7.660 7.660 7.622 0.038 19286 3150 1 11 . 1 1 32 32 GLY N N 32 105.410 105.410 105.316 0.094 19286 3151 1 11 . 1 1 32 32 GLY H H 32 7.600 7.600 8.053 -0.453 19286 3152 1 11 . 1 1 33 33 HIS N N 33 119.380 119.380 117.344 2.036 19286 3153 1 11 . 1 1 33 33 HIS HA H 33 5.130 5.130 4.498 0.632 19286 3154 1 11 . 1 1 33 33 HIS CA C 33 56.350 56.350 57.834 -1.484 19286 3155 1 11 . 1 1 33 33 HIS CB C 33 33.470 33.470 30.160 3.311 19286 3156 1 11 . 1 1 33 33 HIS H H 33 7.780 7.780 7.534 0.246 19286 3157 1 11 . 1 1 34 34 GLU N N 34 117.930 117.930 120.118 -2.188 19286 3158 1 11 . 1 1 34 34 GLU H H 34 8.870 8.870 8.666 0.204 19286 3159 1 11 . 1 1 35 35 VAL N N 35 125.860 125.860 117.974 7.886 19286 3160 1 11 . 1 1 35 35 VAL HA H 35 4.710 4.710 4.158 0.552 19286 3161 1 11 . 1 1 35 35 VAL H H 35 8.870 8.870 7.771 1.099 19286 3162 1 11 . 1 1 36 36 ALA N N 36 132.950 132.950 129.504 3.446 19286 3163 1 11 . 1 1 36 36 ALA HA H 36 4.200 4.200 4.644 -0.444 19286 3164 1 11 . 1 1 36 36 ALA CB C 36 23.860 23.860 20.256 3.604 19286 3165 1 11 . 1 1 36 36 ALA H H 36 9.110 9.110 8.253 0.857 19286 3166 1 11 . 1 1 37 37 ALA N N 37 115.420 115.420 120.820 -5.400 19286 3167 1 11 . 1 1 37 37 ALA H H 37 7.480 7.480 8.117 -0.637 19286 3168 1 11 . 1 1 38 38 THR N N 38 112.980 112.980 115.787 -2.807 19286 3169 1 11 . 1 1 38 38 THR H H 38 8.170 8.170 8.358 -0.188 19286 3170 1 11 . 1 1 39 39 ALA CB C 39 22.610 22.610 18.809 3.801 19286 3171 1 11 . 1 1 40 40 SER N N 40 113.630 113.630 116.353 -2.723 19286 3172 1 11 . 1 1 40 40 SER HA H 40 4.450 4.450 4.673 -0.223 19286 3173 1 11 . 1 1 40 40 SER CA C 40 57.480 57.480 58.263 -0.783 19286 3174 1 11 . 1 1 40 40 SER H H 40 8.980 8.980 8.733 0.247 19286 3175 1 11 . 1 1 41 41 ARG N N 41 117.890 117.890 127.893 -10.003 19286 3176 1 11 . 1 1 41 41 ARG CB C 41 34.110 34.110 32.735 1.375 19286 3177 1 11 . 1 1 41 41 ARG H H 41 7.340 7.340 8.582 -1.242 19286 3178 1 11 . 1 1 42 42 MET N N 42 123.460 123.460 124.726 -1.266 19286 3179 1 11 . 1 1 42 42 MET HA H 42 4.040 4.040 3.383 0.657 19286 3180 1 11 . 1 1 42 42 MET H H 42 9.340 9.340 8.983 0.357 19286 3181 1 11 . 1 1 43 43 GLN N N 43 117.010 117.010 118.836 -1.826 19286 3182 1 11 . 1 1 43 43 GLN H H 43 8.940 8.940 8.453 0.487 19286 3183 1 11 . 1 1 44 44 GLU N N 44 117.430 117.430 119.838 -2.408 19286 3184 1 11 . 1 1 44 44 GLU CB C 44 26.690 26.690 29.352 -2.662 19286 3185 1 11 . 1 1 44 44 GLU H H 44 7.160 7.160 8.437 -1.277 19286 3186 1 11 . 1 1 45 45 ALA N N 45 121.060 121.060 122.692 -1.632 19286 3187 1 11 . 1 1 45 45 ALA HA H 45 3.680 3.680 3.921 -0.241 19286 3188 1 11 . 1 1 45 45 ALA CA C 45 55.940 55.940 55.185 0.755 19286 3189 1 11 . 1 1 45 45 ALA CB C 45 20.940 20.940 18.154 2.786 19286 3190 1 11 . 1 1 45 45 ALA H H 45 8.220 8.220 8.520 -0.300 19286 3191 1 11 . 1 1 46 46 LEU N N 46 116.750 116.750 117.862 -1.112 19286 3192 1 11 . 1 1 46 46 LEU H H 46 8.350 8.350 7.368 0.982 19286 3193 1 11 . 1 1 47 47 ASP N N 47 117.760 117.760 118.182 -0.422 19286 3194 1 11 . 1 1 47 47 ASP H H 47 7.400 7.400 8.549 -1.149 19286 3195 1 11 . 1 1 48 48 ILE N N 48 118.660 118.660 114.864 3.796 19286 3196 1 11 . 1 1 48 48 ILE H H 48 8.220 8.220 7.433 0.787 19286 3197 1 11 . 1 1 49 49 ALA N N 49 123.150 123.150 123.907 -0.757 19286 3198 1 11 . 1 1 49 49 ALA HA H 49 4.040 4.040 4.076 -0.036 19286 3199 1 11 . 1 1 49 49 ALA CA C 49 55.940 55.940 53.937 2.003 19286 3200 1 11 . 1 1 49 49 ALA CB C 49 18.120 18.120 19.384 -1.264 19286 3201 1 11 . 1 1 49 49 ALA H H 49 8.610 8.610 7.457 1.153 19286 3202 1 11 . 1 1 50 50 ARG N N 50 113.110 113.110 119.191 -6.081 19286 3203 1 11 . 1 1 50 50 ARG CB C 50 26.570 26.570 29.812 -3.242 19286 3204 1 11 . 1 1 50 50 ARG H H 50 7.440 7.440 7.958 -0.518 19286 3205 1 11 . 1 1 51 51 LYS N N 51 114.910 114.910 118.848 -3.938 19286 3206 1 11 . 1 1 51 51 LYS H H 51 7.550 7.550 7.642 -0.092 19286 3207 1 11 . 1 1 52 52 GLY N N 52 108.150 108.150 107.323 0.827 19286 3208 1 11 . 1 1 52 52 GLY H H 52 8.920 8.920 8.448 0.472 19286 3209 1 11 . 1 1 53 53 GLN N N 53 120.450 120.450 119.518 0.932 19286 3210 1 11 . 1 1 53 53 GLN H H 53 8.320 8.320 8.010 0.310 19286 3211 1 11 . 1 1 54 54 PHE N N 54 119.090 119.090 114.988 4.102 19286 3212 1 11 . 1 1 54 54 PHE H H 54 7.180 7.180 7.487 -0.307 19286 3213 1 11 . 1 1 55 55 ASP N N 55 117.290 117.290 120.896 -3.606 19286 3214 1 11 . 1 1 55 55 ASP H H 55 9.330 9.330 8.186 1.144 19286 3215 1 11 . 1 1 56 56 ILE N N 56 109.550 109.550 118.151 -8.601 19286 3216 1 11 . 1 1 56 56 ILE HA H 56 5.220 5.220 4.414 0.806 19286 3217 1 11 . 1 1 56 56 ILE CA C 56 59.690 59.690 60.122 -0.432 19286 3218 1 11 . 1 1 56 56 ILE H H 56 7.690 7.690 8.364 -0.674 19286 3219 1 11 . 1 1 57 57 ALA N N 57 122.390 122.390 124.934 -2.544 19286 3220 1 11 . 1 1 57 57 ALA HA H 57 5.480 5.480 5.082 0.398 19286 3221 1 11 . 1 1 57 57 ALA CA C 57 50.940 50.940 51.630 -0.690 19286 3222 1 11 . 1 1 57 57 ALA H H 57 8.000 8.000 8.475 -0.475 19286 3223 1 11 . 1 1 59 59 ILE N N 59 122.950 122.950 128.974 -6.024 19286 3224 1 11 . 1 1 59 59 ILE HA H 59 4.990 4.990 4.421 0.569 19286 3225 1 11 . 1 1 59 59 ILE CA C 59 57.190 57.190 60.142 -2.951 19286 3226 1 11 . 1 1 59 59 ILE H H 59 8.930 8.930 7.980 0.950 19286 3227 1 11 . 1 1 60 60 ASP N N 60 127.320 127.320 123.110 4.210 19286 3228 1 11 . 1 1 60 60 ASP HA H 60 5.100 5.100 4.471 0.629 19286 3229 1 11 . 1 1 60 60 ASP CA C 60 55.100 55.100 54.188 0.912 19286 3230 1 11 . 1 1 60 60 ASP H H 60 8.360 8.360 7.555 0.805 19286 3231 1 11 . 1 1 61 61 VAL N N 61 121.040 121.040 117.683 3.357 19286 3232 1 11 . 1 1 61 61 VAL HA H 61 3.700 3.700 3.762 -0.062 19286 3233 1 11 . 1 1 61 61 VAL CA C 61 64.630 64.630 63.196 1.434 19286 3234 1 11 . 1 1 61 61 VAL CB C 61 31.590 31.590 31.659 -0.069 19286 3235 1 11 . 1 1 61 61 VAL H H 61 8.540 8.540 8.293 0.247 19286 3236 1 11 . 1 1 63 63 LEU N N 63 121.830 121.830 119.886 1.944 19286 3237 1 11 . 1 1 63 63 LEU HA H 63 4.400 4.400 4.484 -0.084 19286 3238 1 11 . 1 1 63 63 LEU CA C 63 52.810 52.810 54.629 -1.819 19286 3239 1 11 . 1 1 63 63 LEU H H 63 8.960 8.960 7.424 1.536 19286 3240 1 11 . 1 1 64 64 ASP N N 64 128.450 128.450 119.308 9.142 19286 3241 1 11 . 1 1 64 64 ASP HA H 64 4.290 4.290 4.376 -0.086 19286 3242 1 11 . 1 1 64 64 ASP CA C 64 55.940 55.940 55.165 0.775 19286 3243 1 11 . 1 1 64 64 ASP CB C 64 40.390 40.390 40.303 0.087 19286 3244 1 11 . 1 1 64 64 ASP H H 64 9.840 9.840 8.594 1.246 19286 3245 1 11 . 1 1 65 65 GLY N N 65 133.580 133.580 103.878 29.702 19286 3246 1 11 . 1 1 65 65 GLY H H 65 8.400 8.400 7.684 0.716 19286 3247 1 11 . 1 1 66 66 GLU N N 66 121.110 121.110 118.171 2.939 19286 3248 1 11 . 1 1 66 66 GLU HA H 66 4.920 4.920 4.079 0.841 19286 3249 1 11 . 1 1 66 66 GLU CA C 66 53.100 53.100 56.371 -3.272 19286 3250 1 11 . 1 1 66 66 GLU H H 66 7.790 7.790 8.296 -0.506 19286 3251 1 11 . 1 1 69 69 TYR N N 69 120.020 120.020 116.072 3.948 19286 3252 1 11 . 1 1 69 69 TYR HA H 69 4.410 4.410 4.174 0.236 19286 3253 1 11 . 1 1 69 69 TYR CA C 69 60.970 60.970 57.822 3.148 19286 3254 1 11 . 1 1 69 69 TYR H H 69 6.480 6.480 7.255 -0.775 19286 3255 1 11 . 1 1 71 71 VAL N N 71 115.000 115.000 117.253 -2.253 19286 3256 1 11 . 1 1 71 71 VAL H H 71 7.640 7.640 7.690 -0.050 19286 3257 1 11 . 1 1 72 72 ALA N N 72 122.000 122.000 124.368 -2.368 19286 3258 1 11 . 1 1 72 72 ALA CB C 72 20.110 20.110 18.499 1.611 19286 3259 1 11 . 1 1 72 72 ALA H H 72 6.890 6.890 8.008 -1.118 19286 3260 1 11 . 1 1 73 73 ASP N N 73 116.020 116.020 118.870 -2.850 19286 3261 1 11 . 1 1 73 73 ASP H H 73 8.610 8.610 7.679 0.931 19286 3262 1 11 . 1 1 74 74 ILE N N 74 120.950 120.950 121.006 -0.056 19286 3263 1 11 . 1 1 74 74 ILE H H 74 7.060 7.060 7.376 -0.316 19286 3264 1 11 . 1 1 75 75 LEU N N 75 119.760 119.760 119.630 0.130 19286 3265 1 11 . 1 1 75 75 LEU H H 75 7.460 7.460 8.432 -0.972 19286 3266 1 11 . 1 1 76 76 ALA N N 76 121.160 121.160 118.300 2.860 19286 3267 1 11 . 1 1 76 76 ALA H H 76 8.910 8.910 7.765 1.145 19286 3268 1 11 . 1 1 77 77 GLU N N 77 120.340 120.340 118.559 1.781 19286 3269 1 11 . 1 1 77 77 GLU H H 77 7.800 7.800 8.079 -0.279 19286 3270 1 11 . 1 1 78 78 ARG N N 78 116.210 116.210 114.004 2.206 19286 3271 1 11 . 1 1 78 78 ARG H H 78 7.740 7.740 7.388 0.352 19286 3272 1 11 . 1 1 79 79 ASN N N 79 116.230 116.230 118.441 -2.211 19286 3273 1 11 . 1 1 79 79 ASN H H 79 8.030 8.030 7.793 0.237 19286 3274 1 11 . 1 1 80 80 VAL N N 80 121.200 121.200 121.289 -0.089 19286 3275 1 11 . 1 1 80 80 VAL H H 80 8.200 8.200 7.916 0.284 19286 3276 1 11 . 1 1 82 82 PHE N N 82 113.440 113.440 119.758 -6.318 19286 3277 1 11 . 1 1 82 82 PHE HA H 82 5.690 5.690 5.087 0.603 19286 3278 1 11 . 1 1 82 82 PHE CA C 82 55.480 55.480 56.175 -0.695 19286 3279 1 11 . 1 1 82 82 PHE CB C 82 43.610 43.610 40.331 3.279 19286 3280 1 11 . 1 1 82 82 PHE H H 82 7.310 7.310 8.313 -1.003 19286 3281 1 11 . 1 1 83 83 ILE N N 83 115.230 115.230 118.207 -2.977 19286 3282 1 11 . 1 1 83 83 ILE HA H 83 4.260 4.260 3.587 0.673 19286 3283 1 11 . 1 1 83 83 ILE CA C 83 59.690 59.690 60.217 -0.527 19286 3284 1 11 . 1 1 83 83 ILE H H 83 7.880 7.880 7.984 -0.104 19286 3285 1 11 . 1 1 84 84 PHE N N 84 122.680 122.680 123.849 -1.169 19286 3286 1 11 . 1 1 84 84 PHE HA H 84 6.190 6.190 4.912 1.278 19286 3287 1 11 . 1 1 84 84 PHE CA C 84 55.470 55.470 56.561 -1.091 19286 3288 1 11 . 1 1 84 84 PHE H H 84 8.360 8.360 8.278 0.082 19286 3289 1 11 . 1 1 85 85 ALA N N 85 123.760 123.760 120.991 2.769 19286 3290 1 11 . 1 1 85 85 ALA HA H 85 5.540 5.540 4.562 0.978 19286 3291 1 11 . 1 1 85 85 ALA CA C 85 50.940 50.940 52.087 -1.147 19286 3292 1 11 . 1 1 85 85 ALA H H 85 8.570 8.570 7.383 1.187 19286 3293 1 11 . 1 1 86 86 THR N N 86 114.260 114.260 112.151 2.109 19286 3294 1 11 . 1 1 86 86 THR HA H 86 4.290 4.290 4.333 -0.043 19286 3295 1 11 . 1 1 86 86 THR CA C 86 56.720 56.720 61.601 -4.881 19286 3296 1 11 . 1 1 86 86 THR CB C 86 69.610 69.610 68.552 1.058 19286 3297 1 11 . 1 1 86 86 THR H H 86 8.640 8.640 7.751 0.889 19286 3298 1 11 . 1 1 87 87 GLY N N 87 112.830 112.830 111.128 1.702 19286 3299 1 11 . 1 1 87 87 GLY H H 87 8.590 8.590 8.688 -0.098 19286 3300 1 11 . 1 1 89 89 GLY N N 89 111.750 111.750 110.190 1.560 19286 3301 1 11 . 1 1 89 89 GLY H H 89 8.300 8.300 7.741 0.559 19286 3302 1 11 . 1 1 90 90 SER CA C 90 57.970 57.970 58.494 -0.524 19286 3303 1 11 . 1 1 90 90 SER H H 90 4.990 4.990 8.550 -3.560 19286 3304 1 11 . 1 1 91 91 LYS N N 91 122.950 122.950 125.842 -2.892 19286 3305 1 11 . 1 1 91 91 LYS H H 91 8.180 8.180 9.088 -0.908 19286 3306 1 11 . 1 1 92 92 GLY N N 92 109.390 109.390 110.997 -1.607 19286 3307 1 11 . 1 1 92 92 GLY H H 92 8.320 8.320 8.297 0.023 19286 3308 1 11 . 1 1 93 93 LEU N N 93 121.760 121.760 115.751 6.009 19286 3309 1 11 . 1 1 93 93 LEU CB C 93 42.970 42.970 40.946 2.024 19286 3310 1 11 . 1 1 93 93 LEU H H 93 7.910 7.910 7.661 0.249 19286 3311 1 11 . 1 1 94 94 ASP N N 94 122.710 122.710 118.644 4.066 19286 3312 1 11 . 1 1 94 94 ASP H H 94 7.650 7.650 8.389 -0.739 19286 3313 1 11 . 1 1 95 95 THR N N 95 117.650 117.650 114.254 3.396 19286 3314 1 11 . 1 1 95 95 THR H H 95 8.210 8.210 7.960 0.250 19286 3315 1 11 . 1 1 96 96 ARG N N 96 122.360 122.360 120.595 1.765 19286 3316 1 11 . 1 1 96 96 ARG H H 96 8.700 8.700 8.734 -0.034 19286 3317 1 11 . 1 1 97 97 TYR N N 97 117.080 117.080 120.105 -3.025 19286 3318 1 11 . 1 1 97 97 TYR CB C 97 39.220 39.220 39.174 0.046 19286 3319 1 11 . 1 1 97 97 TYR H H 97 8.000 8.000 7.863 0.137 19286 3320 1 11 . 1 1 98 98 SER N N 98 114.730 114.730 109.765 4.965 19286 3321 1 11 . 1 1 98 98 SER H H 98 7.580 7.580 8.407 -0.827 19286 3322 1 11 . 1 1 99 99 ASN N N 99 117.230 117.230 117.860 -0.630 19286 3323 1 11 . 1 1 99 99 ASN H H 99 8.600 8.600 8.571 0.029 19286 3324 1 11 . 1 1 100 100 ILE N N 100 124.250 124.250 114.855 9.395 19286 3325 1 11 . 1 1 100 100 ILE H H 100 7.520 7.520 7.984 -0.464 19286 3326 1 11 . 1 1 102 102 LEU N N 102 121.060 121.060 118.459 2.601 19286 3327 1 11 . 1 1 102 102 LEU H H 102 7.870 7.870 7.873 -0.003 19286 3328 1 11 . 1 1 103 103 LEU N N 103 126.970 126.970 123.152 3.818 19286 3329 1 11 . 1 1 103 103 LEU HA H 103 4.620 4.620 4.530 0.090 19286 3330 1 11 . 1 1 103 103 LEU CA C 103 54.690 54.690 54.362 0.328 19286 3331 1 11 . 1 1 103 103 LEU H H 103 9.080 9.080 7.933 1.147 19286 3332 1 11 . 1 1 104 104 THR N N 104 118.430 118.430 116.337 2.093 19286 3333 1 11 . 1 1 104 104 THR HA H 104 4.760 4.760 4.043 0.717 19286 3334 1 11 . 1 1 104 104 THR CA C 104 63.440 63.440 65.780 -2.340 19286 3335 1 11 . 1 1 104 104 THR H H 104 8.430 8.430 8.499 -0.069 19286 3336 1 11 . 1 1 105 105 LYS N N 105 122.030 122.030 118.133 3.897 19286 3337 1 11 . 1 1 105 105 LYS HA H 105 4.290 4.290 4.187 0.103 19286 3338 1 11 . 1 1 105 105 LYS CA C 105 54.690 54.690 56.112 -1.423 19286 3339 1 11 . 1 1 105 105 LYS H H 105 8.170 8.170 8.128 0.042 19286 3340 1 11 . 1 1 107 107 PHE N N 107 118.490 118.490 116.911 1.579 19286 3341 1 11 . 1 1 107 107 PHE H H 107 7.470 7.470 7.626 -0.156 19286 3342 1 11 . 1 1 109 109 ASP N N 109 124.810 124.810 117.954 6.856 19286 3343 1 11 . 1 1 109 109 ASP HA H 109 4.710 4.710 4.835 -0.125 19286 3344 1 11 . 1 1 109 109 ASP H H 109 9.130 9.130 8.149 0.981 19286 3345 1 11 . 1 1 110 110 SER HA H 110 4.270 4.270 4.244 0.026 19286 3346 1 11 . 1 1 110 110 SER CA C 110 59.690 59.690 58.923 0.767 19286 3347 1 11 . 1 1 111 111 GLU N N 111 123.780 123.780 121.861 1.919 19286 3348 1 11 . 1 1 111 111 GLU HA H 111 4.060 4.060 3.985 0.075 19286 3349 1 11 . 1 1 111 111 GLU CA C 111 58.440 58.440 60.213 -1.773 19286 3350 1 11 . 1 1 111 111 GLU H H 111 7.410 7.410 8.769 -1.359 19286 3351 1 11 . 1 1 112 112 LEU N N 112 120.180 120.180 118.920 1.260 19286 3352 1 11 . 1 1 112 112 LEU HA H 112 3.900 3.900 3.879 0.021 19286 3353 1 11 . 1 1 112 112 LEU CA C 112 58.440 58.440 58.373 0.066 19286 3354 1 11 . 1 1 112 112 LEU H H 112 7.670 7.670 8.126 -0.456 19286 3355 1 11 . 1 1 113 113 GLU N N 113 118.380 118.380 118.579 -0.199 19286 3356 1 11 . 1 1 113 113 GLU HA H 113 3.730 3.730 3.897 -0.167 19286 3357 1 11 . 1 1 113 113 GLU CA C 113 60.940 60.940 59.612 1.327 19286 3358 1 11 . 1 1 113 113 GLU H H 113 8.530 8.530 8.285 0.245 19286 3359 1 11 . 1 1 114 114 ALA N N 114 117.790 117.790 118.472 -0.682 19286 3360 1 11 . 1 1 114 114 ALA HA H 114 4.140 4.140 4.217 -0.077 19286 3361 1 11 . 1 1 114 114 ALA CA C 114 55.540 55.540 54.615 0.925 19286 3362 1 11 . 1 1 114 114 ALA CB C 114 18.440 18.440 18.684 -0.244 19286 3363 1 11 . 1 1 114 114 ALA H H 114 7.480 7.480 7.360 0.120 19286 3364 1 11 . 1 1 115 115 VAL N N 115 116.000 116.000 115.163 0.837 19286 3365 1 11 . 1 1 115 115 VAL HA H 115 4.030 4.030 4.136 -0.106 19286 3366 1 11 . 1 1 115 115 VAL CA C 115 65.940 65.940 62.742 3.197 19286 3367 1 11 . 1 1 115 115 VAL H H 115 7.540 7.540 8.019 -0.479 19286 3368 1 11 . 1 1 116 116 LEU HA H 116 4.280 4.280 4.157 0.123 19286 3369 1 11 . 1 1 116 116 LEU CA C 116 57.570 57.570 58.326 -0.756 19286 3370 1 11 . 1 1 117 117 VAL N N 117 119.140 119.140 115.304 3.836 19286 3371 1 11 . 1 1 117 117 VAL H H 117 8.200 8.200 7.974 0.226 19286 3372 1 11 . 1 1 120 120 SER N N 120 115.730 115.730 114.991 0.739 19286 3373 1 11 . 1 1 120 120 SER H H 120 7.780 7.780 7.866 -0.086 19286 3374 1 11 . 1 1 121 121 LYS N N 121 120.870 120.870 119.278 1.592 19286 3375 1 11 . 1 1 121 121 LYS H H 121 7.540 7.540 8.453 -0.913 19286 3376 1 11 . 1 1 122 122 GLU N N 122 120.160 120.160 115.612 4.548 19286 3377 1 11 . 1 1 122 122 GLU H H 122 8.140 8.140 8.192 -0.052 19286 3378 1 12 . 1 1 4 4 MET N N 4 121.520 121.520 119.251 2.269 19286 3379 1 12 . 1 1 4 4 MET H H 4 8.450 8.450 8.097 0.353 19286 3380 1 12 . 1 1 5 5 THR N N 5 115.270 115.270 108.738 6.532 19286 3381 1 12 . 1 1 5 5 THR H H 5 8.090 8.090 7.409 0.681 19286 3382 1 12 . 1 1 6 6 GLU N N 6 123.580 123.580 121.817 1.763 19286 3383 1 12 . 1 1 6 6 GLU H H 6 8.430 8.430 8.505 -0.075 19286 3384 1 12 . 1 1 7 7 ARG N N 7 120.850 120.850 119.143 1.707 19286 3385 1 12 . 1 1 7 7 ARG H H 7 8.030 8.030 8.724 -0.694 19286 3386 1 12 . 1 1 8 8 ARG N N 8 125.410 125.410 117.618 7.792 19286 3387 1 12 . 1 1 8 8 ARG HA H 8 4.370 4.370 4.253 0.117 19286 3388 1 12 . 1 1 8 8 ARG H H 8 8.310 8.310 7.911 0.399 19286 3389 1 12 . 1 1 9 9 LEU N N 9 130.330 130.330 121.269 9.061 19286 3390 1 12 . 1 1 9 9 LEU HA H 9 4.610 4.610 4.133 0.477 19286 3391 1 12 . 1 1 9 9 LEU H H 9 11.100 11.100 7.920 3.180 19286 3392 1 12 . 1 1 10 10 ARG N N 10 121.420 121.420 122.164 -0.744 19286 3393 1 12 . 1 1 10 10 ARG HA H 10 5.010 5.010 4.689 0.321 19286 3394 1 12 . 1 1 10 10 ARG CA C 10 55.940 55.940 53.960 1.980 19286 3395 1 12 . 1 1 10 10 ARG H H 10 9.620 9.620 7.740 1.880 19286 3396 1 12 . 1 1 11 11 VAL N N 11 125.110 125.110 120.650 4.460 19286 3397 1 12 . 1 1 11 11 VAL HA H 11 4.970 4.970 4.563 0.407 19286 3398 1 12 . 1 1 11 11 VAL H H 11 9.210 9.210 8.856 0.354 19286 3399 1 12 . 1 1 12 12 LEU N N 12 130.050 130.050 128.948 1.102 19286 3400 1 12 . 1 1 12 12 LEU HA H 12 4.780 4.780 4.690 0.090 19286 3401 1 12 . 1 1 12 12 LEU H H 12 8.260 8.260 8.376 -0.116 19286 3402 1 12 . 1 1 13 13 VAL N N 13 128.060 128.060 119.524 8.536 19286 3403 1 12 . 1 1 13 13 VAL HA H 13 4.610 4.610 4.559 0.051 19286 3404 1 12 . 1 1 13 13 VAL H H 13 8.330 8.330 7.851 0.479 19286 3405 1 12 . 1 1 14 14 VAL N N 14 128.470 128.470 116.131 12.339 19286 3406 1 12 . 1 1 14 14 VAL HA H 14 4.700 4.700 4.762 -0.062 19286 3407 1 12 . 1 1 14 14 VAL H H 14 8.840 8.840 8.661 0.179 19286 3408 1 12 . 1 1 15 15 GLU N N 15 124.840 124.840 122.551 2.289 19286 3409 1 12 . 1 1 15 15 GLU HA H 15 4.620 4.620 4.763 -0.143 19286 3410 1 12 . 1 1 15 15 GLU H H 15 7.950 7.950 8.370 -0.420 19286 3411 1 12 . 1 1 16 16 ASP N N 16 125.840 125.840 122.122 3.718 19286 3412 1 12 . 1 1 16 16 ASP HA H 16 4.540 4.540 4.199 0.341 19286 3413 1 12 . 1 1 16 16 ASP H H 16 9.360 9.360 8.925 0.435 19286 3414 1 12 . 1 1 17 17 GLU HA H 17 4.290 4.290 4.125 0.165 19286 3415 1 12 . 1 1 17 17 GLU CA C 17 55.540 55.540 56.616 -1.076 19286 3416 1 12 . 1 1 18 18 SER N N 18 124.990 124.990 114.163 10.827 19286 3417 1 12 . 1 1 18 18 SER HA H 18 4.610 4.610 4.477 0.133 19286 3418 1 12 . 1 1 18 18 SER H H 18 8.820 8.820 8.651 0.169 19286 3419 1 12 . 1 1 19 19 MET N N 19 119.940 119.940 123.382 -3.442 19286 3420 1 12 . 1 1 19 19 MET H H 19 9.030 9.030 8.261 0.769 19286 3421 1 12 . 1 1 20 20 ILE N N 20 118.700 118.700 117.230 1.470 19286 3422 1 12 . 1 1 20 20 ILE H H 20 7.200 7.200 7.526 -0.326 19286 3423 1 12 . 1 1 21 21 ALA N N 21 123.500 123.500 122.571 0.929 19286 3424 1 12 . 1 1 21 21 ALA CB C 21 18.860 18.860 18.898 -0.038 19286 3425 1 12 . 1 1 21 21 ALA H H 21 8.370 8.370 7.923 0.447 19286 3426 1 12 . 1 1 22 22 MET N N 22 115.790 115.790 118.888 -3.098 19286 3427 1 12 . 1 1 22 22 MET HA H 22 4.160 4.160 4.263 -0.103 19286 3428 1 12 . 1 1 22 22 MET CA C 22 58.440 58.440 58.144 0.296 19286 3429 1 12 . 1 1 22 22 MET H H 22 8.090 8.090 7.716 0.374 19286 3430 1 12 . 1 1 23 23 LEU N N 23 120.400 120.400 119.018 1.382 19286 3431 1 12 . 1 1 23 23 LEU H H 23 7.490 7.490 7.647 -0.157 19286 3432 1 12 . 1 1 24 24 ILE N N 24 120.840 120.840 121.417 -0.577 19286 3433 1 12 . 1 1 24 24 ILE HA H 24 3.520 3.520 4.001 -0.481 19286 3434 1 12 . 1 1 24 24 ILE CA C 24 67.190 67.190 63.303 3.887 19286 3435 1 12 . 1 1 24 24 ILE CB C 24 38.440 38.440 39.471 -1.031 19286 3436 1 12 . 1 1 24 24 ILE H H 24 8.630 8.630 8.738 -0.108 19286 3437 1 12 . 1 1 25 25 GLU N N 25 119.380 119.380 120.068 -0.688 19286 3438 1 12 . 1 1 25 25 GLU H H 25 8.550 8.550 7.898 0.652 19286 3439 1 12 . 1 1 26 26 ASP N N 26 119.700 119.700 116.965 2.735 19286 3440 1 12 . 1 1 26 26 ASP H H 26 8.890 8.890 7.808 1.082 19286 3441 1 12 . 1 1 27 27 THR N N 27 117.460 117.460 115.998 1.462 19286 3442 1 12 . 1 1 27 27 THR HA H 27 4.270 4.270 4.083 0.187 19286 3443 1 12 . 1 1 27 27 THR CA C 27 68.890 68.890 65.293 3.597 19286 3444 1 12 . 1 1 27 27 THR H H 27 8.100 8.100 7.410 0.690 19286 3445 1 12 . 1 1 28 28 LEU N N 28 120.440 120.440 124.098 -3.658 19286 3446 1 12 . 1 1 28 28 LEU HA H 28 3.920 3.920 4.078 -0.158 19286 3447 1 12 . 1 1 28 28 LEU CA C 28 58.440 58.440 58.002 0.438 19286 3448 1 12 . 1 1 28 28 LEU H H 28 8.610 8.610 8.797 -0.187 19286 3449 1 12 . 1 1 29 29 CYS N N 29 116.920 116.920 117.389 -0.469 19286 3450 1 12 . 1 1 29 29 CYS H H 29 8.180 8.180 8.041 0.139 19286 3451 1 12 . 1 1 30 30 GLU N N 30 122.820 122.820 119.530 3.290 19286 3452 1 12 . 1 1 30 30 GLU HA H 30 4.160 4.160 4.223 -0.063 19286 3453 1 12 . 1 1 30 30 GLU CA C 30 59.690 59.690 58.217 1.474 19286 3454 1 12 . 1 1 30 30 GLU H H 30 8.060 8.060 7.477 0.583 19286 3455 1 12 . 1 1 31 31 LEU N N 31 116.980 116.980 119.204 -2.224 19286 3456 1 12 . 1 1 31 31 LEU H H 31 7.660 7.660 8.251 -0.591 19286 3457 1 12 . 1 1 32 32 GLY N N 32 105.410 105.410 105.102 0.308 19286 3458 1 12 . 1 1 32 32 GLY H H 32 7.600 7.600 8.609 -1.009 19286 3459 1 12 . 1 1 33 33 HIS N N 33 119.380 119.380 118.066 1.314 19286 3460 1 12 . 1 1 33 33 HIS HA H 33 5.130 5.130 4.404 0.726 19286 3461 1 12 . 1 1 33 33 HIS CA C 33 56.350 56.350 58.049 -1.699 19286 3462 1 12 . 1 1 33 33 HIS CB C 33 33.470 33.470 30.044 3.426 19286 3463 1 12 . 1 1 33 33 HIS H H 33 7.780 7.780 7.917 -0.137 19286 3464 1 12 . 1 1 34 34 GLU N N 34 117.930 117.930 120.158 -2.228 19286 3465 1 12 . 1 1 34 34 GLU H H 34 8.870 8.870 8.180 0.690 19286 3466 1 12 . 1 1 35 35 VAL N N 35 125.860 125.860 120.131 5.729 19286 3467 1 12 . 1 1 35 35 VAL HA H 35 4.710 4.710 4.064 0.646 19286 3468 1 12 . 1 1 35 35 VAL H H 35 8.870 8.870 8.134 0.736 19286 3469 1 12 . 1 1 36 36 ALA N N 36 132.950 132.950 130.666 2.284 19286 3470 1 12 . 1 1 36 36 ALA HA H 36 4.200 4.200 4.907 -0.707 19286 3471 1 12 . 1 1 36 36 ALA CB C 36 23.860 23.860 20.612 3.248 19286 3472 1 12 . 1 1 36 36 ALA H H 36 9.110 9.110 8.275 0.835 19286 3473 1 12 . 1 1 37 37 ALA N N 37 115.420 115.420 121.698 -6.278 19286 3474 1 12 . 1 1 37 37 ALA H H 37 7.480 7.480 8.391 -0.911 19286 3475 1 12 . 1 1 38 38 THR N N 38 112.980 112.980 116.566 -3.586 19286 3476 1 12 . 1 1 38 38 THR H H 38 8.170 8.170 8.414 -0.244 19286 3477 1 12 . 1 1 39 39 ALA CB C 39 22.610 22.610 19.082 3.528 19286 3478 1 12 . 1 1 40 40 SER N N 40 113.630 113.630 117.071 -3.441 19286 3479 1 12 . 1 1 40 40 SER HA H 40 4.450 4.450 4.351 0.099 19286 3480 1 12 . 1 1 40 40 SER CA C 40 57.480 57.480 59.061 -1.581 19286 3481 1 12 . 1 1 40 40 SER H H 40 8.980 8.980 8.518 0.462 19286 3482 1 12 . 1 1 41 41 ARG N N 41 117.890 117.890 128.014 -10.124 19286 3483 1 12 . 1 1 41 41 ARG CB C 41 34.110 34.110 32.808 1.302 19286 3484 1 12 . 1 1 41 41 ARG H H 41 7.340 7.340 8.757 -1.417 19286 3485 1 12 . 1 1 42 42 MET N N 42 123.460 123.460 125.217 -1.757 19286 3486 1 12 . 1 1 42 42 MET HA H 42 4.040 4.040 3.595 0.445 19286 3487 1 12 . 1 1 42 42 MET H H 42 9.340 9.340 8.741 0.599 19286 3488 1 12 . 1 1 43 43 GLN N N 43 117.010 117.010 119.242 -2.232 19286 3489 1 12 . 1 1 43 43 GLN H H 43 8.940 8.940 8.514 0.426 19286 3490 1 12 . 1 1 44 44 GLU N N 44 117.430 117.430 118.950 -1.520 19286 3491 1 12 . 1 1 44 44 GLU CB C 44 26.690 26.690 29.208 -2.518 19286 3492 1 12 . 1 1 44 44 GLU H H 44 7.160 7.160 8.538 -1.378 19286 3493 1 12 . 1 1 45 45 ALA N N 45 121.060 121.060 121.945 -0.885 19286 3494 1 12 . 1 1 45 45 ALA HA H 45 3.680 3.680 4.063 -0.383 19286 3495 1 12 . 1 1 45 45 ALA CA C 45 55.940 55.940 55.128 0.812 19286 3496 1 12 . 1 1 45 45 ALA CB C 45 20.940 20.940 18.447 2.493 19286 3497 1 12 . 1 1 45 45 ALA H H 45 8.220 8.220 8.549 -0.329 19286 3498 1 12 . 1 1 46 46 LEU N N 46 116.750 116.750 117.961 -1.211 19286 3499 1 12 . 1 1 46 46 LEU H H 46 8.350 8.350 7.521 0.829 19286 3500 1 12 . 1 1 47 47 ASP N N 47 117.760 117.760 118.038 -0.278 19286 3501 1 12 . 1 1 47 47 ASP H H 47 7.400 7.400 7.709 -0.309 19286 3502 1 12 . 1 1 48 48 ILE N N 48 118.660 118.660 114.460 4.200 19286 3503 1 12 . 1 1 48 48 ILE H H 48 8.220 8.220 7.224 0.996 19286 3504 1 12 . 1 1 49 49 ALA N N 49 123.150 123.150 123.563 -0.413 19286 3505 1 12 . 1 1 49 49 ALA HA H 49 4.040 4.040 3.938 0.102 19286 3506 1 12 . 1 1 49 49 ALA CA C 49 55.940 55.940 54.005 1.935 19286 3507 1 12 . 1 1 49 49 ALA CB C 49 18.120 18.120 18.642 -0.522 19286 3508 1 12 . 1 1 49 49 ALA H H 49 8.610 8.610 6.924 1.686 19286 3509 1 12 . 1 1 50 50 ARG N N 50 113.110 113.110 118.667 -5.557 19286 3510 1 12 . 1 1 50 50 ARG CB C 50 26.570 26.570 30.023 -3.453 19286 3511 1 12 . 1 1 50 50 ARG H H 50 7.440 7.440 7.846 -0.406 19286 3512 1 12 . 1 1 51 51 LYS N N 51 114.910 114.910 117.647 -2.737 19286 3513 1 12 . 1 1 51 51 LYS H H 51 7.550 7.550 7.522 0.028 19286 3514 1 12 . 1 1 52 52 GLY N N 52 108.150 108.150 107.468 0.682 19286 3515 1 12 . 1 1 52 52 GLY H H 52 8.920 8.920 8.090 0.830 19286 3516 1 12 . 1 1 53 53 GLN N N 53 120.450 120.450 123.116 -2.666 19286 3517 1 12 . 1 1 53 53 GLN H H 53 8.320 8.320 8.221 0.099 19286 3518 1 12 . 1 1 54 54 PHE N N 54 119.090 119.090 116.558 2.532 19286 3519 1 12 . 1 1 54 54 PHE H H 54 7.180 7.180 7.672 -0.492 19286 3520 1 12 . 1 1 55 55 ASP N N 55 117.290 117.290 119.319 -2.029 19286 3521 1 12 . 1 1 55 55 ASP H H 55 9.330 9.330 7.541 1.789 19286 3522 1 12 . 1 1 56 56 ILE N N 56 109.550 109.550 118.612 -9.062 19286 3523 1 12 . 1 1 56 56 ILE HA H 56 5.220 5.220 4.342 0.878 19286 3524 1 12 . 1 1 56 56 ILE CA C 56 59.690 59.690 59.837 -0.147 19286 3525 1 12 . 1 1 56 56 ILE H H 56 7.690 7.690 7.589 0.101 19286 3526 1 12 . 1 1 57 57 ALA N N 57 122.390 122.390 124.673 -2.283 19286 3527 1 12 . 1 1 57 57 ALA HA H 57 5.480 5.480 5.706 -0.226 19286 3528 1 12 . 1 1 57 57 ALA CA C 57 50.940 50.940 51.149 -0.209 19286 3529 1 12 . 1 1 57 57 ALA H H 57 8.000 8.000 8.288 -0.288 19286 3530 1 12 . 1 1 59 59 ILE N N 59 122.950 122.950 128.363 -5.413 19286 3531 1 12 . 1 1 59 59 ILE HA H 59 4.990 4.990 4.502 0.488 19286 3532 1 12 . 1 1 59 59 ILE CA C 59 57.190 57.190 59.857 -2.667 19286 3533 1 12 . 1 1 59 59 ILE H H 59 8.930 8.930 7.617 1.313 19286 3534 1 12 . 1 1 60 60 ASP N N 60 127.320 127.320 123.791 3.529 19286 3535 1 12 . 1 1 60 60 ASP HA H 60 5.100 5.100 4.526 0.574 19286 3536 1 12 . 1 1 60 60 ASP CA C 60 55.100 55.100 54.831 0.269 19286 3537 1 12 . 1 1 60 60 ASP H H 60 8.360 8.360 7.646 0.714 19286 3538 1 12 . 1 1 61 61 VAL N N 61 121.040 121.040 117.458 3.582 19286 3539 1 12 . 1 1 61 61 VAL HA H 61 3.700 3.700 3.758 -0.058 19286 3540 1 12 . 1 1 61 61 VAL CA C 61 64.630 64.630 63.458 1.172 19286 3541 1 12 . 1 1 61 61 VAL CB C 61 31.590 31.590 31.377 0.214 19286 3542 1 12 . 1 1 61 61 VAL H H 61 8.540 8.540 8.527 0.013 19286 3543 1 12 . 1 1 63 63 LEU N N 63 121.830 121.830 120.953 0.877 19286 3544 1 12 . 1 1 63 63 LEU HA H 63 4.400 4.400 4.603 -0.203 19286 3545 1 12 . 1 1 63 63 LEU CA C 63 52.810 52.810 54.418 -1.608 19286 3546 1 12 . 1 1 63 63 LEU H H 63 8.960 8.960 7.580 1.380 19286 3547 1 12 . 1 1 64 64 ASP N N 64 128.450 128.450 118.776 9.674 19286 3548 1 12 . 1 1 64 64 ASP HA H 64 4.290 4.290 4.404 -0.114 19286 3549 1 12 . 1 1 64 64 ASP CA C 64 55.940 55.940 55.922 0.018 19286 3550 1 12 . 1 1 64 64 ASP CB C 64 40.390 40.390 40.175 0.215 19286 3551 1 12 . 1 1 64 64 ASP H H 64 9.840 9.840 9.085 0.755 19286 3552 1 12 . 1 1 65 65 GLY N N 65 133.580 133.580 106.831 26.749 19286 3553 1 12 . 1 1 65 65 GLY H H 65 8.400 8.400 8.028 0.372 19286 3554 1 12 . 1 1 66 66 GLU N N 66 121.110 121.110 117.768 3.342 19286 3555 1 12 . 1 1 66 66 GLU HA H 66 4.920 4.920 4.055 0.865 19286 3556 1 12 . 1 1 66 66 GLU CA C 66 53.100 53.100 56.026 -2.926 19286 3557 1 12 . 1 1 66 66 GLU H H 66 7.790 7.790 8.359 -0.569 19286 3558 1 12 . 1 1 69 69 TYR N N 69 120.020 120.020 118.131 1.889 19286 3559 1 12 . 1 1 69 69 TYR HA H 69 4.410 4.410 4.140 0.270 19286 3560 1 12 . 1 1 69 69 TYR CA C 69 60.970 60.970 57.497 3.473 19286 3561 1 12 . 1 1 69 69 TYR H H 69 6.480 6.480 7.561 -1.081 19286 3562 1 12 . 1 1 71 71 VAL N N 71 115.000 115.000 121.114 -6.114 19286 3563 1 12 . 1 1 71 71 VAL H H 71 7.640 7.640 7.747 -0.107 19286 3564 1 12 . 1 1 72 72 ALA N N 72 122.000 122.000 122.997 -0.997 19286 3565 1 12 . 1 1 72 72 ALA CB C 72 20.110 20.110 18.090 2.020 19286 3566 1 12 . 1 1 72 72 ALA H H 72 6.890 6.890 7.922 -1.032 19286 3567 1 12 . 1 1 73 73 ASP N N 73 116.020 116.020 118.322 -2.302 19286 3568 1 12 . 1 1 73 73 ASP H H 73 8.610 8.610 7.540 1.070 19286 3569 1 12 . 1 1 74 74 ILE N N 74 120.950 120.950 119.769 1.181 19286 3570 1 12 . 1 1 74 74 ILE H H 74 7.060 7.060 7.393 -0.333 19286 3571 1 12 . 1 1 75 75 LEU N N 75 119.760 119.760 120.571 -0.811 19286 3572 1 12 . 1 1 75 75 LEU H H 75 7.460 7.460 8.666 -1.206 19286 3573 1 12 . 1 1 76 76 ALA N N 76 121.160 121.160 117.892 3.268 19286 3574 1 12 . 1 1 76 76 ALA H H 76 8.910 8.910 7.625 1.285 19286 3575 1 12 . 1 1 77 77 GLU N N 77 120.340 120.340 119.030 1.310 19286 3576 1 12 . 1 1 77 77 GLU H H 77 7.800 7.800 7.953 -0.153 19286 3577 1 12 . 1 1 78 78 ARG N N 78 116.210 116.210 115.252 0.958 19286 3578 1 12 . 1 1 78 78 ARG H H 78 7.740 7.740 7.443 0.297 19286 3579 1 12 . 1 1 79 79 ASN N N 79 116.230 116.230 117.909 -1.679 19286 3580 1 12 . 1 1 79 79 ASN H H 79 8.030 8.030 7.696 0.334 19286 3581 1 12 . 1 1 80 80 VAL N N 80 121.200 121.200 114.473 6.727 19286 3582 1 12 . 1 1 80 80 VAL H H 80 8.200 8.200 7.452 0.748 19286 3583 1 12 . 1 1 82 82 PHE N N 82 113.440 113.440 120.411 -6.971 19286 3584 1 12 . 1 1 82 82 PHE HA H 82 5.690 5.690 5.037 0.652 19286 3585 1 12 . 1 1 82 82 PHE CA C 82 55.480 55.480 56.310 -0.831 19286 3586 1 12 . 1 1 82 82 PHE CB C 82 43.610 43.610 40.490 3.120 19286 3587 1 12 . 1 1 82 82 PHE H H 82 7.310 7.310 7.576 -0.266 19286 3588 1 12 . 1 1 83 83 ILE N N 83 115.230 115.230 116.860 -1.630 19286 3589 1 12 . 1 1 83 83 ILE HA H 83 4.260 4.260 3.457 0.803 19286 3590 1 12 . 1 1 83 83 ILE CA C 83 59.690 59.690 59.620 0.070 19286 3591 1 12 . 1 1 83 83 ILE H H 83 7.880 7.880 7.841 0.039 19286 3592 1 12 . 1 1 84 84 PHE N N 84 122.680 122.680 120.883 1.797 19286 3593 1 12 . 1 1 84 84 PHE HA H 84 6.190 6.190 4.875 1.315 19286 3594 1 12 . 1 1 84 84 PHE CA C 84 55.470 55.470 56.864 -1.394 19286 3595 1 12 . 1 1 84 84 PHE H H 84 8.360 8.360 8.222 0.138 19286 3596 1 12 . 1 1 85 85 ALA N N 85 123.760 123.760 124.237 -0.477 19286 3597 1 12 . 1 1 85 85 ALA HA H 85 5.540 5.540 4.982 0.558 19286 3598 1 12 . 1 1 85 85 ALA CA C 85 50.940 50.940 51.825 -0.885 19286 3599 1 12 . 1 1 85 85 ALA H H 85 8.570 8.570 7.700 0.870 19286 3600 1 12 . 1 1 86 86 THR N N 86 114.260 114.260 115.730 -1.470 19286 3601 1 12 . 1 1 86 86 THR HA H 86 4.290 4.290 4.763 -0.473 19286 3602 1 12 . 1 1 86 86 THR CA C 86 56.720 56.720 59.370 -2.650 19286 3603 1 12 . 1 1 86 86 THR CB C 86 69.610 69.610 71.106 -1.496 19286 3604 1 12 . 1 1 86 86 THR H H 86 8.640 8.640 7.701 0.939 19286 3605 1 12 . 1 1 87 87 GLY N N 87 112.830 112.830 109.951 2.879 19286 3606 1 12 . 1 1 87 87 GLY H H 87 8.590 8.590 8.623 -0.033 19286 3607 1 12 . 1 1 89 89 GLY N N 89 111.750 111.750 110.287 1.463 19286 3608 1 12 . 1 1 89 89 GLY H H 89 8.300 8.300 6.926 1.374 19286 3609 1 12 . 1 1 90 90 SER CA C 90 57.970 57.970 59.808 -1.838 19286 3610 1 12 . 1 1 90 90 SER H H 90 4.990 4.990 8.216 -3.226 19286 3611 1 12 . 1 1 91 91 LYS N N 91 122.950 122.950 125.722 -2.772 19286 3612 1 12 . 1 1 91 91 LYS H H 91 8.180 8.180 8.740 -0.560 19286 3613 1 12 . 1 1 92 92 GLY N N 92 109.390 109.390 108.571 0.819 19286 3614 1 12 . 1 1 92 92 GLY H H 92 8.320 8.320 7.803 0.517 19286 3615 1 12 . 1 1 93 93 LEU N N 93 121.760 121.760 117.071 4.689 19286 3616 1 12 . 1 1 93 93 LEU CB C 93 42.970 42.970 42.782 0.188 19286 3617 1 12 . 1 1 93 93 LEU H H 93 7.910 7.910 7.395 0.515 19286 3618 1 12 . 1 1 94 94 ASP N N 94 122.710 122.710 118.792 3.918 19286 3619 1 12 . 1 1 94 94 ASP H H 94 7.650 7.650 8.333 -0.683 19286 3620 1 12 . 1 1 95 95 THR N N 95 117.650 117.650 112.926 4.724 19286 3621 1 12 . 1 1 95 95 THR H H 95 8.210 8.210 8.219 -0.009 19286 3622 1 12 . 1 1 96 96 ARG N N 96 122.360 122.360 121.786 0.574 19286 3623 1 12 . 1 1 96 96 ARG H H 96 8.700 8.700 9.151 -0.451 19286 3624 1 12 . 1 1 97 97 TYR N N 97 117.080 117.080 116.171 0.909 19286 3625 1 12 . 1 1 97 97 TYR CB C 97 39.220 39.220 38.398 0.822 19286 3626 1 12 . 1 1 97 97 TYR H H 97 8.000 8.000 8.329 -0.329 19286 3627 1 12 . 1 1 98 98 SER N N 98 114.730 114.730 111.898 2.832 19286 3628 1 12 . 1 1 98 98 SER H H 98 7.580 7.580 7.744 -0.164 19286 3629 1 12 . 1 1 99 99 ASN N N 99 117.230 117.230 117.109 0.121 19286 3630 1 12 . 1 1 99 99 ASN H H 99 8.600 8.600 8.368 0.232 19286 3631 1 12 . 1 1 100 100 ILE N N 100 124.250 124.250 114.027 10.223 19286 3632 1 12 . 1 1 100 100 ILE H H 100 7.520 7.520 7.963 -0.443 19286 3633 1 12 . 1 1 102 102 LEU N N 102 121.060 121.060 116.273 4.787 19286 3634 1 12 . 1 1 102 102 LEU H H 102 7.870 7.870 7.117 0.753 19286 3635 1 12 . 1 1 103 103 LEU N N 103 126.970 126.970 118.407 8.563 19286 3636 1 12 . 1 1 103 103 LEU HA H 103 4.620 4.620 4.477 0.143 19286 3637 1 12 . 1 1 103 103 LEU CA C 103 54.690 54.690 55.075 -0.385 19286 3638 1 12 . 1 1 103 103 LEU H H 103 9.080 9.080 7.771 1.309 19286 3639 1 12 . 1 1 104 104 THR N N 104 118.430 118.430 114.011 4.419 19286 3640 1 12 . 1 1 104 104 THR HA H 104 4.760 4.760 4.540 0.220 19286 3641 1 12 . 1 1 104 104 THR CA C 104 63.440 63.440 61.095 2.345 19286 3642 1 12 . 1 1 104 104 THR H H 104 8.430 8.430 8.378 0.052 19286 3643 1 12 . 1 1 105 105 LYS N N 105 122.030 122.030 119.309 2.721 19286 3644 1 12 . 1 1 105 105 LYS HA H 105 4.290 4.290 4.226 0.064 19286 3645 1 12 . 1 1 105 105 LYS CA C 105 54.690 54.690 57.143 -2.453 19286 3646 1 12 . 1 1 105 105 LYS H H 105 8.170 8.170 8.226 -0.056 19286 3647 1 12 . 1 1 107 107 PHE N N 107 118.490 118.490 117.174 1.316 19286 3648 1 12 . 1 1 107 107 PHE H H 107 7.470 7.470 8.184 -0.714 19286 3649 1 12 . 1 1 109 109 ASP N N 109 124.810 124.810 117.811 6.999 19286 3650 1 12 . 1 1 109 109 ASP HA H 109 4.710 4.710 4.773 -0.063 19286 3651 1 12 . 1 1 109 109 ASP H H 109 9.130 9.130 8.273 0.857 19286 3652 1 12 . 1 1 110 110 SER HA H 110 4.270 4.270 4.504 -0.234 19286 3653 1 12 . 1 1 110 110 SER CA C 110 59.690 59.690 59.066 0.625 19286 3654 1 12 . 1 1 111 111 GLU N N 111 123.780 123.780 120.572 3.208 19286 3655 1 12 . 1 1 111 111 GLU HA H 111 4.060 4.060 3.903 0.157 19286 3656 1 12 . 1 1 111 111 GLU CA C 111 58.440 58.440 59.804 -1.364 19286 3657 1 12 . 1 1 111 111 GLU H H 111 7.410 7.410 8.445 -1.035 19286 3658 1 12 . 1 1 112 112 LEU N N 112 120.180 120.180 118.675 1.505 19286 3659 1 12 . 1 1 112 112 LEU HA H 112 3.900 3.900 3.775 0.125 19286 3660 1 12 . 1 1 112 112 LEU CA C 112 58.440 58.440 58.936 -0.496 19286 3661 1 12 . 1 1 112 112 LEU H H 112 7.670 7.670 7.771 -0.101 19286 3662 1 12 . 1 1 113 113 GLU N N 113 118.380 118.380 118.705 -0.325 19286 3663 1 12 . 1 1 113 113 GLU HA H 113 3.730 3.730 3.911 -0.181 19286 3664 1 12 . 1 1 113 113 GLU CA C 113 60.940 60.940 59.259 1.681 19286 3665 1 12 . 1 1 113 113 GLU H H 113 8.530 8.530 8.544 -0.014 19286 3666 1 12 . 1 1 114 114 ALA N N 114 117.790 117.790 121.434 -3.644 19286 3667 1 12 . 1 1 114 114 ALA HA H 114 4.140 4.140 4.092 0.048 19286 3668 1 12 . 1 1 114 114 ALA CA C 114 55.540 55.540 55.093 0.447 19286 3669 1 12 . 1 1 114 114 ALA CB C 114 18.440 18.440 18.739 -0.299 19286 3670 1 12 . 1 1 114 114 ALA H H 114 7.480 7.480 8.035 -0.555 19286 3671 1 12 . 1 1 115 115 VAL N N 115 116.000 116.000 110.455 5.545 19286 3672 1 12 . 1 1 115 115 VAL HA H 115 4.030 4.030 4.203 -0.173 19286 3673 1 12 . 1 1 115 115 VAL CA C 115 65.940 65.940 63.712 2.228 19286 3674 1 12 . 1 1 115 115 VAL H H 115 7.540 7.540 7.712 -0.172 19286 3675 1 12 . 1 1 116 116 LEU HA H 116 4.280 4.280 4.379 -0.099 19286 3676 1 12 . 1 1 116 116 LEU CA C 116 57.570 57.570 57.469 0.101 19286 3677 1 12 . 1 1 117 117 VAL N N 117 119.140 119.140 120.468 -1.328 19286 3678 1 12 . 1 1 117 117 VAL H H 117 8.200 8.200 8.056 0.144 19286 3679 1 12 . 1 1 120 120 SER N N 120 115.730 115.730 114.506 1.224 19286 3680 1 12 . 1 1 120 120 SER H H 120 7.780 7.780 8.001 -0.221 19286 3681 1 12 . 1 1 121 121 LYS N N 121 120.870 120.870 116.735 4.135 19286 3682 1 12 . 1 1 121 121 LYS H H 121 7.540 7.540 8.392 -0.852 19286 3683 1 12 . 1 1 122 122 GLU N N 122 120.160 120.160 115.284 4.876 19286 3684 1 12 . 1 1 122 122 GLU H H 122 8.140 8.140 7.872 0.268 19286 3685 1 13 . 1 1 4 4 MET N N 4 121.520 121.520 121.154 0.366 19286 3686 1 13 . 1 1 4 4 MET H H 4 8.450 8.450 8.714 -0.264 19286 3687 1 13 . 1 1 5 5 THR N N 5 115.270 115.270 112.837 2.433 19286 3688 1 13 . 1 1 5 5 THR H H 5 8.090 8.090 7.823 0.267 19286 3689 1 13 . 1 1 6 6 GLU N N 6 123.580 123.580 118.722 4.858 19286 3690 1 13 . 1 1 6 6 GLU H H 6 8.430 8.430 8.727 -0.297 19286 3691 1 13 . 1 1 7 7 ARG N N 7 120.850 120.850 120.996 -0.146 19286 3692 1 13 . 1 1 7 7 ARG H H 7 8.030 8.030 8.671 -0.641 19286 3693 1 13 . 1 1 8 8 ARG N N 8 125.410 125.410 117.936 7.474 19286 3694 1 13 . 1 1 8 8 ARG HA H 8 4.370 4.370 4.180 0.190 19286 3695 1 13 . 1 1 8 8 ARG H H 8 8.310 8.310 8.100 0.210 19286 3696 1 13 . 1 1 9 9 LEU N N 9 130.330 130.330 121.517 8.813 19286 3697 1 13 . 1 1 9 9 LEU HA H 9 4.610 4.610 4.467 0.143 19286 3698 1 13 . 1 1 9 9 LEU H H 9 11.100 11.100 7.361 3.739 19286 3699 1 13 . 1 1 10 10 ARG N N 10 121.420 121.420 121.015 0.405 19286 3700 1 13 . 1 1 10 10 ARG HA H 10 5.010 5.010 4.443 0.567 19286 3701 1 13 . 1 1 10 10 ARG CA C 10 55.940 55.940 54.117 1.823 19286 3702 1 13 . 1 1 10 10 ARG H H 10 9.620 9.620 8.119 1.501 19286 3703 1 13 . 1 1 11 11 VAL N N 11 125.110 125.110 123.872 1.238 19286 3704 1 13 . 1 1 11 11 VAL HA H 11 4.970 4.970 4.151 0.819 19286 3705 1 13 . 1 1 11 11 VAL H H 11 9.210 9.210 8.645 0.565 19286 3706 1 13 . 1 1 12 12 LEU N N 12 130.050 130.050 129.290 0.760 19286 3707 1 13 . 1 1 12 12 LEU HA H 12 4.780 4.780 4.545 0.235 19286 3708 1 13 . 1 1 12 12 LEU H H 12 8.260 8.260 8.351 -0.091 19286 3709 1 13 . 1 1 13 13 VAL N N 13 128.060 128.060 123.507 4.553 19286 3710 1 13 . 1 1 13 13 VAL HA H 13 4.610 4.610 4.314 0.296 19286 3711 1 13 . 1 1 13 13 VAL H H 13 8.330 8.330 7.919 0.411 19286 3712 1 13 . 1 1 14 14 VAL N N 14 128.470 128.470 119.065 9.405 19286 3713 1 13 . 1 1 14 14 VAL HA H 14 4.700 4.700 4.700 0.000 19286 3714 1 13 . 1 1 14 14 VAL H H 14 8.840 8.840 8.953 -0.113 19286 3715 1 13 . 1 1 15 15 GLU N N 15 124.840 124.840 120.150 4.690 19286 3716 1 13 . 1 1 15 15 GLU HA H 15 4.620 4.620 4.680 -0.060 19286 3717 1 13 . 1 1 15 15 GLU H H 15 7.950 7.950 8.354 -0.404 19286 3718 1 13 . 1 1 16 16 ASP N N 16 125.840 125.840 123.724 2.116 19286 3719 1 13 . 1 1 16 16 ASP HA H 16 4.540 4.540 4.213 0.327 19286 3720 1 13 . 1 1 16 16 ASP H H 16 9.360 9.360 9.008 0.352 19286 3721 1 13 . 1 1 17 17 GLU HA H 17 4.290 4.290 4.453 -0.163 19286 3722 1 13 . 1 1 17 17 GLU CA C 17 55.540 55.540 55.667 -0.127 19286 3723 1 13 . 1 1 18 18 SER N N 18 124.990 124.990 114.691 10.299 19286 3724 1 13 . 1 1 18 18 SER HA H 18 4.610 4.610 4.493 0.117 19286 3725 1 13 . 1 1 18 18 SER H H 18 8.820 8.820 8.817 0.003 19286 3726 1 13 . 1 1 19 19 MET N N 19 119.940 119.940 119.694 0.246 19286 3727 1 13 . 1 1 19 19 MET H H 19 9.030 9.030 8.004 1.026 19286 3728 1 13 . 1 1 20 20 ILE N N 20 118.700 118.700 118.549 0.151 19286 3729 1 13 . 1 1 20 20 ILE H H 20 7.200 7.200 7.626 -0.426 19286 3730 1 13 . 1 1 21 21 ALA N N 21 123.500 123.500 123.922 -0.422 19286 3731 1 13 . 1 1 21 21 ALA CB C 21 18.860 18.860 18.127 0.733 19286 3732 1 13 . 1 1 21 21 ALA H H 21 8.370 8.370 8.241 0.129 19286 3733 1 13 . 1 1 22 22 MET N N 22 115.790 115.790 119.052 -3.262 19286 3734 1 13 . 1 1 22 22 MET HA H 22 4.160 4.160 4.233 -0.073 19286 3735 1 13 . 1 1 22 22 MET CA C 22 58.440 58.440 58.465 -0.025 19286 3736 1 13 . 1 1 22 22 MET H H 22 8.090 8.090 7.729 0.361 19286 3737 1 13 . 1 1 23 23 LEU N N 23 120.400 120.400 120.209 0.191 19286 3738 1 13 . 1 1 23 23 LEU H H 23 7.490 7.490 7.585 -0.095 19286 3739 1 13 . 1 1 24 24 ILE N N 24 120.840 120.840 120.965 -0.125 19286 3740 1 13 . 1 1 24 24 ILE HA H 24 3.520 3.520 4.127 -0.607 19286 3741 1 13 . 1 1 24 24 ILE CA C 24 67.190 67.190 63.481 3.709 19286 3742 1 13 . 1 1 24 24 ILE CB C 24 38.440 38.440 39.073 -0.633 19286 3743 1 13 . 1 1 24 24 ILE H H 24 8.630 8.630 8.496 0.134 19286 3744 1 13 . 1 1 25 25 GLU N N 25 119.380 119.380 119.784 -0.404 19286 3745 1 13 . 1 1 25 25 GLU H H 25 8.550 8.550 7.770 0.780 19286 3746 1 13 . 1 1 26 26 ASP N N 26 119.700 119.700 117.182 2.518 19286 3747 1 13 . 1 1 26 26 ASP H H 26 8.890 8.890 7.965 0.925 19286 3748 1 13 . 1 1 27 27 THR N N 27 117.460 117.460 114.955 2.505 19286 3749 1 13 . 1 1 27 27 THR HA H 27 4.270 4.270 3.993 0.277 19286 3750 1 13 . 1 1 27 27 THR CA C 27 68.890 68.890 65.485 3.405 19286 3751 1 13 . 1 1 27 27 THR H H 27 8.100 8.100 7.390 0.710 19286 3752 1 13 . 1 1 28 28 LEU N N 28 120.440 120.440 123.436 -2.996 19286 3753 1 13 . 1 1 28 28 LEU HA H 28 3.920 3.920 4.014 -0.094 19286 3754 1 13 . 1 1 28 28 LEU CA C 28 58.440 58.440 58.098 0.342 19286 3755 1 13 . 1 1 28 28 LEU H H 28 8.610 8.610 8.718 -0.108 19286 3756 1 13 . 1 1 29 29 CYS N N 29 116.920 116.920 116.450 0.470 19286 3757 1 13 . 1 1 29 29 CYS H H 29 8.180 8.180 7.599 0.581 19286 3758 1 13 . 1 1 30 30 GLU N N 30 122.820 122.820 120.702 2.118 19286 3759 1 13 . 1 1 30 30 GLU HA H 30 4.160 4.160 4.174 -0.014 19286 3760 1 13 . 1 1 30 30 GLU CA C 30 59.690 59.690 58.635 1.055 19286 3761 1 13 . 1 1 30 30 GLU H H 30 8.060 8.060 8.009 0.051 19286 3762 1 13 . 1 1 31 31 LEU N N 31 116.980 116.980 116.873 0.107 19286 3763 1 13 . 1 1 31 31 LEU H H 31 7.660 7.660 7.383 0.277 19286 3764 1 13 . 1 1 32 32 GLY N N 32 105.410 105.410 106.109 -0.699 19286 3765 1 13 . 1 1 32 32 GLY H H 32 7.600 7.600 8.000 -0.400 19286 3766 1 13 . 1 1 33 33 HIS N N 33 119.380 119.380 116.987 2.393 19286 3767 1 13 . 1 1 33 33 HIS HA H 33 5.130 5.130 4.256 0.874 19286 3768 1 13 . 1 1 33 33 HIS CA C 33 56.350 56.350 57.240 -0.890 19286 3769 1 13 . 1 1 33 33 HIS CB C 33 33.470 33.470 30.342 3.128 19286 3770 1 13 . 1 1 33 33 HIS H H 33 7.780 7.780 7.642 0.138 19286 3771 1 13 . 1 1 34 34 GLU N N 34 117.930 117.930 119.305 -1.375 19286 3772 1 13 . 1 1 34 34 GLU H H 34 8.870 8.870 8.612 0.258 19286 3773 1 13 . 1 1 35 35 VAL N N 35 125.860 125.860 116.941 8.919 19286 3774 1 13 . 1 1 35 35 VAL HA H 35 4.710 4.710 4.132 0.578 19286 3775 1 13 . 1 1 35 35 VAL H H 35 8.870 8.870 7.855 1.015 19286 3776 1 13 . 1 1 36 36 ALA N N 36 132.950 132.950 128.900 4.050 19286 3777 1 13 . 1 1 36 36 ALA HA H 36 4.200 4.200 4.773 -0.573 19286 3778 1 13 . 1 1 36 36 ALA CB C 36 23.860 23.860 20.871 2.989 19286 3779 1 13 . 1 1 36 36 ALA H H 36 9.110 9.110 8.344 0.766 19286 3780 1 13 . 1 1 37 37 ALA N N 37 115.420 115.420 120.124 -4.704 19286 3781 1 13 . 1 1 37 37 ALA H H 37 7.480 7.480 8.056 -0.576 19286 3782 1 13 . 1 1 38 38 THR N N 38 112.980 112.980 114.823 -1.843 19286 3783 1 13 . 1 1 38 38 THR H H 38 8.170 8.170 8.235 -0.065 19286 3784 1 13 . 1 1 39 39 ALA CB C 39 22.610 22.610 19.046 3.564 19286 3785 1 13 . 1 1 40 40 SER N N 40 113.630 113.630 116.085 -2.455 19286 3786 1 13 . 1 1 40 40 SER HA H 40 4.450 4.450 4.444 0.006 19286 3787 1 13 . 1 1 40 40 SER CA C 40 57.480 57.480 58.718 -1.238 19286 3788 1 13 . 1 1 40 40 SER H H 40 8.980 8.980 8.160 0.820 19286 3789 1 13 . 1 1 41 41 ARG N N 41 117.890 117.890 127.498 -9.608 19286 3790 1 13 . 1 1 41 41 ARG CB C 41 34.110 34.110 32.534 1.576 19286 3791 1 13 . 1 1 41 41 ARG H H 41 7.340 7.340 8.413 -1.073 19286 3792 1 13 . 1 1 42 42 MET N N 42 123.460 123.460 125.224 -1.764 19286 3793 1 13 . 1 1 42 42 MET HA H 42 4.040 4.040 3.798 0.242 19286 3794 1 13 . 1 1 42 42 MET H H 42 9.340 9.340 8.804 0.536 19286 3795 1 13 . 1 1 43 43 GLN N N 43 117.010 117.010 119.904 -2.894 19286 3796 1 13 . 1 1 43 43 GLN H H 43 8.940 8.940 8.412 0.528 19286 3797 1 13 . 1 1 44 44 GLU N N 44 117.430 117.430 118.782 -1.352 19286 3798 1 13 . 1 1 44 44 GLU CB C 44 26.690 26.690 29.206 -2.516 19286 3799 1 13 . 1 1 44 44 GLU H H 44 7.160 7.160 8.596 -1.436 19286 3800 1 13 . 1 1 45 45 ALA N N 45 121.060 121.060 121.862 -0.802 19286 3801 1 13 . 1 1 45 45 ALA HA H 45 3.680 3.680 4.162 -0.482 19286 3802 1 13 . 1 1 45 45 ALA CA C 45 55.940 55.940 55.218 0.722 19286 3803 1 13 . 1 1 45 45 ALA CB C 45 20.940 20.940 18.666 2.274 19286 3804 1 13 . 1 1 45 45 ALA H H 45 8.220 8.220 8.335 -0.115 19286 3805 1 13 . 1 1 46 46 LEU N N 46 116.750 116.750 120.036 -3.286 19286 3806 1 13 . 1 1 46 46 LEU H H 46 8.350 8.350 7.711 0.639 19286 3807 1 13 . 1 1 47 47 ASP N N 47 117.760 117.760 119.432 -1.672 19286 3808 1 13 . 1 1 47 47 ASP H H 47 7.400 7.400 7.804 -0.404 19286 3809 1 13 . 1 1 48 48 ILE N N 48 118.660 118.660 117.006 1.654 19286 3810 1 13 . 1 1 48 48 ILE H H 48 8.220 8.220 8.294 -0.074 19286 3811 1 13 . 1 1 49 49 ALA N N 49 123.150 123.150 122.960 0.190 19286 3812 1 13 . 1 1 49 49 ALA HA H 49 4.040 4.040 3.823 0.217 19286 3813 1 13 . 1 1 49 49 ALA CA C 49 55.940 55.940 53.837 2.103 19286 3814 1 13 . 1 1 49 49 ALA CB C 49 18.120 18.120 18.676 -0.556 19286 3815 1 13 . 1 1 49 49 ALA H H 49 8.610 8.610 7.054 1.556 19286 3816 1 13 . 1 1 50 50 ARG N N 50 113.110 113.110 118.694 -5.584 19286 3817 1 13 . 1 1 50 50 ARG CB C 50 26.570 26.570 30.186 -3.616 19286 3818 1 13 . 1 1 50 50 ARG H H 50 7.440 7.440 8.686 -1.246 19286 3819 1 13 . 1 1 51 51 LYS N N 51 114.910 114.910 117.139 -2.229 19286 3820 1 13 . 1 1 51 51 LYS H H 51 7.550 7.550 7.723 -0.173 19286 3821 1 13 . 1 1 52 52 GLY N N 52 108.150 108.150 106.809 1.341 19286 3822 1 13 . 1 1 52 52 GLY H H 52 8.920 8.920 7.756 1.164 19286 3823 1 13 . 1 1 53 53 GLN N N 53 120.450 120.450 120.610 -0.160 19286 3824 1 13 . 1 1 53 53 GLN H H 53 8.320 8.320 8.329 -0.009 19286 3825 1 13 . 1 1 54 54 PHE N N 54 119.090 119.090 119.729 -0.639 19286 3826 1 13 . 1 1 54 54 PHE H H 54 7.180 7.180 7.962 -0.782 19286 3827 1 13 . 1 1 55 55 ASP N N 55 117.290 117.290 117.424 -0.134 19286 3828 1 13 . 1 1 55 55 ASP H H 55 9.330 9.330 7.762 1.568 19286 3829 1 13 . 1 1 56 56 ILE N N 56 109.550 109.550 118.867 -9.317 19286 3830 1 13 . 1 1 56 56 ILE HA H 56 5.220 5.220 3.893 1.327 19286 3831 1 13 . 1 1 56 56 ILE CA C 56 59.690 59.690 60.266 -0.576 19286 3832 1 13 . 1 1 56 56 ILE H H 56 7.690 7.690 6.918 0.772 19286 3833 1 13 . 1 1 57 57 ALA N N 57 122.390 122.390 125.794 -3.404 19286 3834 1 13 . 1 1 57 57 ALA HA H 57 5.480 5.480 5.520 -0.040 19286 3835 1 13 . 1 1 57 57 ALA CA C 57 50.940 50.940 51.073 -0.133 19286 3836 1 13 . 1 1 57 57 ALA H H 57 8.000 8.000 7.992 0.008 19286 3837 1 13 . 1 1 59 59 ILE N N 59 122.950 122.950 127.995 -5.045 19286 3838 1 13 . 1 1 59 59 ILE HA H 59 4.990 4.990 4.376 0.614 19286 3839 1 13 . 1 1 59 59 ILE CA C 59 57.190 57.190 59.814 -2.624 19286 3840 1 13 . 1 1 59 59 ILE H H 59 8.930 8.930 7.624 1.306 19286 3841 1 13 . 1 1 60 60 ASP N N 60 127.320 127.320 122.922 4.398 19286 3842 1 13 . 1 1 60 60 ASP HA H 60 5.100 5.100 4.530 0.570 19286 3843 1 13 . 1 1 60 60 ASP CA C 60 55.100 55.100 54.514 0.586 19286 3844 1 13 . 1 1 60 60 ASP H H 60 8.360 8.360 7.538 0.822 19286 3845 1 13 . 1 1 61 61 VAL N N 61 121.040 121.040 117.679 3.361 19286 3846 1 13 . 1 1 61 61 VAL HA H 61 3.700 3.700 3.745 -0.045 19286 3847 1 13 . 1 1 61 61 VAL CA C 61 64.630 64.630 63.792 0.838 19286 3848 1 13 . 1 1 61 61 VAL CB C 61 31.590 31.590 31.867 -0.277 19286 3849 1 13 . 1 1 61 61 VAL H H 61 8.540 8.540 8.311 0.229 19286 3850 1 13 . 1 1 63 63 LEU N N 63 121.830 121.830 120.914 0.916 19286 3851 1 13 . 1 1 63 63 LEU HA H 63 4.400 4.400 4.506 -0.106 19286 3852 1 13 . 1 1 63 63 LEU CA C 63 52.810 52.810 53.995 -1.185 19286 3853 1 13 . 1 1 63 63 LEU H H 63 8.960 8.960 7.765 1.195 19286 3854 1 13 . 1 1 64 64 ASP N N 64 128.450 128.450 119.142 9.308 19286 3855 1 13 . 1 1 64 64 ASP HA H 64 4.290 4.290 4.404 -0.114 19286 3856 1 13 . 1 1 64 64 ASP CA C 64 55.940 55.940 55.214 0.726 19286 3857 1 13 . 1 1 64 64 ASP CB C 64 40.390 40.390 40.216 0.174 19286 3858 1 13 . 1 1 64 64 ASP H H 64 9.840 9.840 8.598 1.242 19286 3859 1 13 . 1 1 65 65 GLY N N 65 133.580 133.580 103.987 29.593 19286 3860 1 13 . 1 1 65 65 GLY H H 65 8.400 8.400 7.856 0.544 19286 3861 1 13 . 1 1 66 66 GLU N N 66 121.110 121.110 117.684 3.426 19286 3862 1 13 . 1 1 66 66 GLU HA H 66 4.920 4.920 4.007 0.913 19286 3863 1 13 . 1 1 66 66 GLU CA C 66 53.100 53.100 56.316 -3.216 19286 3864 1 13 . 1 1 66 66 GLU H H 66 7.790 7.790 8.445 -0.655 19286 3865 1 13 . 1 1 69 69 TYR N N 69 120.020 120.020 118.418 1.602 19286 3866 1 13 . 1 1 69 69 TYR HA H 69 4.410 4.410 4.166 0.244 19286 3867 1 13 . 1 1 69 69 TYR CA C 69 60.970 60.970 56.981 3.989 19286 3868 1 13 . 1 1 69 69 TYR H H 69 6.480 6.480 7.980 -1.500 19286 3869 1 13 . 1 1 71 71 VAL N N 71 115.000 115.000 118.482 -3.482 19286 3870 1 13 . 1 1 71 71 VAL H H 71 7.640 7.640 7.516 0.124 19286 3871 1 13 . 1 1 72 72 ALA N N 72 122.000 122.000 124.137 -2.137 19286 3872 1 13 . 1 1 72 72 ALA CB C 72 20.110 20.110 17.971 2.139 19286 3873 1 13 . 1 1 72 72 ALA H H 72 6.890 6.890 7.801 -0.911 19286 3874 1 13 . 1 1 73 73 ASP N N 73 116.020 116.020 117.803 -1.783 19286 3875 1 13 . 1 1 73 73 ASP H H 73 8.610 8.610 7.531 1.079 19286 3876 1 13 . 1 1 74 74 ILE N N 74 120.950 120.950 121.639 -0.689 19286 3877 1 13 . 1 1 74 74 ILE H H 74 7.060 7.060 7.429 -0.369 19286 3878 1 13 . 1 1 75 75 LEU N N 75 119.760 119.760 118.780 0.980 19286 3879 1 13 . 1 1 75 75 LEU H H 75 7.460 7.460 8.665 -1.205 19286 3880 1 13 . 1 1 76 76 ALA N N 76 121.160 121.160 121.306 -0.146 19286 3881 1 13 . 1 1 76 76 ALA H H 76 8.910 8.910 8.101 0.809 19286 3882 1 13 . 1 1 77 77 GLU N N 77 120.340 120.340 118.734 1.606 19286 3883 1 13 . 1 1 77 77 GLU H H 77 7.800 7.800 7.926 -0.126 19286 3884 1 13 . 1 1 78 78 ARG N N 78 116.210 116.210 117.426 -1.216 19286 3885 1 13 . 1 1 78 78 ARG H H 78 7.740 7.740 7.470 0.270 19286 3886 1 13 . 1 1 79 79 ASN N N 79 116.230 116.230 120.305 -4.075 19286 3887 1 13 . 1 1 79 79 ASN H H 79 8.030 8.030 7.719 0.311 19286 3888 1 13 . 1 1 80 80 VAL N N 80 121.200 121.200 123.288 -2.088 19286 3889 1 13 . 1 1 80 80 VAL H H 80 8.200 8.200 7.283 0.917 19286 3890 1 13 . 1 1 82 82 PHE N N 82 113.440 113.440 118.994 -5.554 19286 3891 1 13 . 1 1 82 82 PHE HA H 82 5.690 5.690 4.586 1.104 19286 3892 1 13 . 1 1 82 82 PHE CA C 82 55.480 55.480 55.544 -0.063 19286 3893 1 13 . 1 1 82 82 PHE CB C 82 43.610 43.610 40.638 2.972 19286 3894 1 13 . 1 1 82 82 PHE H H 82 7.310 7.310 8.429 -1.119 19286 3895 1 13 . 1 1 83 83 ILE N N 83 115.230 115.230 117.943 -2.713 19286 3896 1 13 . 1 1 83 83 ILE HA H 83 4.260 4.260 3.580 0.680 19286 3897 1 13 . 1 1 83 83 ILE CA C 83 59.690 59.690 60.195 -0.505 19286 3898 1 13 . 1 1 83 83 ILE H H 83 7.880 7.880 7.679 0.201 19286 3899 1 13 . 1 1 84 84 PHE N N 84 122.680 122.680 122.736 -0.056 19286 3900 1 13 . 1 1 84 84 PHE HA H 84 6.190 6.190 4.801 1.389 19286 3901 1 13 . 1 1 84 84 PHE CA C 84 55.470 55.470 57.198 -1.728 19286 3902 1 13 . 1 1 84 84 PHE H H 84 8.360 8.360 8.462 -0.102 19286 3903 1 13 . 1 1 85 85 ALA N N 85 123.760 123.760 124.287 -0.527 19286 3904 1 13 . 1 1 85 85 ALA HA H 85 5.540 5.540 5.112 0.428 19286 3905 1 13 . 1 1 85 85 ALA CA C 85 50.940 50.940 52.076 -1.136 19286 3906 1 13 . 1 1 85 85 ALA H H 85 8.570 8.570 7.987 0.583 19286 3907 1 13 . 1 1 86 86 THR N N 86 114.260 114.260 117.576 -3.316 19286 3908 1 13 . 1 1 86 86 THR HA H 86 4.290 4.290 4.490 -0.200 19286 3909 1 13 . 1 1 86 86 THR CA C 86 56.720 56.720 60.057 -3.337 19286 3910 1 13 . 1 1 86 86 THR CB C 86 69.610 69.610 69.650 -0.040 19286 3911 1 13 . 1 1 86 86 THR H H 86 8.640 8.640 8.146 0.494 19286 3912 1 13 . 1 1 87 87 GLY N N 87 112.830 112.830 109.645 3.185 19286 3913 1 13 . 1 1 87 87 GLY H H 87 8.590 8.590 8.526 0.064 19286 3914 1 13 . 1 1 89 89 GLY N N 89 111.750 111.750 109.119 2.631 19286 3915 1 13 . 1 1 89 89 GLY H H 89 8.300 8.300 7.796 0.504 19286 3916 1 13 . 1 1 90 90 SER CA C 90 57.970 57.970 57.923 0.047 19286 3917 1 13 . 1 1 90 90 SER H H 90 4.990 4.990 7.995 -3.005 19286 3918 1 13 . 1 1 91 91 LYS N N 91 122.950 122.950 125.403 -2.453 19286 3919 1 13 . 1 1 91 91 LYS H H 91 8.180 8.180 8.131 0.049 19286 3920 1 13 . 1 1 92 92 GLY N N 92 109.390 109.390 107.549 1.841 19286 3921 1 13 . 1 1 92 92 GLY H H 92 8.320 8.320 8.306 0.014 19286 3922 1 13 . 1 1 93 93 LEU N N 93 121.760 121.760 119.455 2.305 19286 3923 1 13 . 1 1 93 93 LEU CB C 93 42.970 42.970 42.533 0.437 19286 3924 1 13 . 1 1 93 93 LEU H H 93 7.910 7.910 7.633 0.277 19286 3925 1 13 . 1 1 94 94 ASP N N 94 122.710 122.710 118.636 4.074 19286 3926 1 13 . 1 1 94 94 ASP H H 94 7.650 7.650 8.351 -0.701 19286 3927 1 13 . 1 1 95 95 THR N N 95 117.650 117.650 111.661 5.989 19286 3928 1 13 . 1 1 95 95 THR H H 95 8.210 8.210 7.907 0.303 19286 3929 1 13 . 1 1 96 96 ARG N N 96 122.360 122.360 124.534 -2.174 19286 3930 1 13 . 1 1 96 96 ARG H H 96 8.700 8.700 9.164 -0.464 19286 3931 1 13 . 1 1 97 97 TYR N N 97 117.080 117.080 118.377 -1.297 19286 3932 1 13 . 1 1 97 97 TYR CB C 97 39.220 39.220 38.336 0.884 19286 3933 1 13 . 1 1 97 97 TYR H H 97 8.000 8.000 7.982 0.018 19286 3934 1 13 . 1 1 98 98 SER N N 98 114.730 114.730 111.736 2.994 19286 3935 1 13 . 1 1 98 98 SER H H 98 7.580 7.580 7.685 -0.105 19286 3936 1 13 . 1 1 99 99 ASN N N 99 117.230 117.230 117.637 -0.407 19286 3937 1 13 . 1 1 99 99 ASN H H 99 8.600 8.600 8.784 -0.184 19286 3938 1 13 . 1 1 100 100 ILE N N 100 124.250 124.250 112.937 11.313 19286 3939 1 13 . 1 1 100 100 ILE H H 100 7.520 7.520 8.051 -0.531 19286 3940 1 13 . 1 1 102 102 LEU N N 102 121.060 121.060 119.408 1.652 19286 3941 1 13 . 1 1 102 102 LEU H H 102 7.870 7.870 7.391 0.479 19286 3942 1 13 . 1 1 103 103 LEU N N 103 126.970 126.970 120.536 6.434 19286 3943 1 13 . 1 1 103 103 LEU HA H 103 4.620 4.620 4.525 0.095 19286 3944 1 13 . 1 1 103 103 LEU CA C 103 54.690 54.690 55.043 -0.353 19286 3945 1 13 . 1 1 103 103 LEU H H 103 9.080 9.080 7.954 1.126 19286 3946 1 13 . 1 1 104 104 THR N N 104 118.430 118.430 114.734 3.696 19286 3947 1 13 . 1 1 104 104 THR HA H 104 4.760 4.760 4.338 0.422 19286 3948 1 13 . 1 1 104 104 THR CA C 104 63.440 63.440 62.403 1.038 19286 3949 1 13 . 1 1 104 104 THR H H 104 8.430 8.430 8.022 0.408 19286 3950 1 13 . 1 1 105 105 LYS N N 105 122.030 122.030 119.465 2.565 19286 3951 1 13 . 1 1 105 105 LYS HA H 105 4.290 4.290 4.438 -0.148 19286 3952 1 13 . 1 1 105 105 LYS CA C 105 54.690 54.690 55.955 -1.265 19286 3953 1 13 . 1 1 105 105 LYS H H 105 8.170 8.170 8.053 0.117 19286 3954 1 13 . 1 1 107 107 PHE N N 107 118.490 118.490 115.236 3.254 19286 3955 1 13 . 1 1 107 107 PHE H H 107 7.470 7.470 7.869 -0.399 19286 3956 1 13 . 1 1 109 109 ASP N N 109 124.810 124.810 118.059 6.751 19286 3957 1 13 . 1 1 109 109 ASP HA H 109 4.710 4.710 4.874 -0.164 19286 3958 1 13 . 1 1 109 109 ASP H H 109 9.130 9.130 8.421 0.709 19286 3959 1 13 . 1 1 110 110 SER HA H 110 4.270 4.270 4.279 -0.009 19286 3960 1 13 . 1 1 110 110 SER CA C 110 59.690 59.690 59.724 -0.034 19286 3961 1 13 . 1 1 111 111 GLU N N 111 123.780 123.780 121.084 2.696 19286 3962 1 13 . 1 1 111 111 GLU HA H 111 4.060 4.060 3.831 0.229 19286 3963 1 13 . 1 1 111 111 GLU CA C 111 58.440 58.440 59.551 -1.111 19286 3964 1 13 . 1 1 111 111 GLU H H 111 7.410 7.410 8.399 -0.989 19286 3965 1 13 . 1 1 112 112 LEU N N 112 120.180 120.180 117.150 3.030 19286 3966 1 13 . 1 1 112 112 LEU HA H 112 3.900 3.900 3.941 -0.041 19286 3967 1 13 . 1 1 112 112 LEU CA C 112 58.440 58.440 57.744 0.696 19286 3968 1 13 . 1 1 112 112 LEU H H 112 7.670 7.670 7.916 -0.246 19286 3969 1 13 . 1 1 113 113 GLU N N 113 118.380 118.380 119.150 -0.770 19286 3970 1 13 . 1 1 113 113 GLU HA H 113 3.730 3.730 3.954 -0.224 19286 3971 1 13 . 1 1 113 113 GLU CA C 113 60.940 60.940 59.219 1.721 19286 3972 1 13 . 1 1 113 113 GLU H H 113 8.530 8.530 8.105 0.425 19286 3973 1 13 . 1 1 114 114 ALA N N 114 117.790 117.790 120.606 -2.816 19286 3974 1 13 . 1 1 114 114 ALA HA H 114 4.140 4.140 4.071 0.069 19286 3975 1 13 . 1 1 114 114 ALA CA C 114 55.540 55.540 54.789 0.751 19286 3976 1 13 . 1 1 114 114 ALA CB C 114 18.440 18.440 18.975 -0.535 19286 3977 1 13 . 1 1 114 114 ALA H H 114 7.480 7.480 8.172 -0.692 19286 3978 1 13 . 1 1 115 115 VAL N N 115 116.000 116.000 114.742 1.258 19286 3979 1 13 . 1 1 115 115 VAL HA H 115 4.030 4.030 4.201 -0.171 19286 3980 1 13 . 1 1 115 115 VAL CA C 115 65.940 65.940 64.152 1.788 19286 3981 1 13 . 1 1 115 115 VAL H H 115 7.540 7.540 7.748 -0.208 19286 3982 1 13 . 1 1 116 116 LEU HA H 116 4.280 4.280 4.481 -0.201 19286 3983 1 13 . 1 1 116 116 LEU CA C 116 57.570 57.570 56.550 1.020 19286 3984 1 13 . 1 1 117 117 VAL N N 117 119.140 119.140 120.686 -1.546 19286 3985 1 13 . 1 1 117 117 VAL H H 117 8.200 8.200 7.489 0.711 19286 3986 1 13 . 1 1 120 120 SER N N 120 115.730 115.730 118.842 -3.112 19286 3987 1 13 . 1 1 120 120 SER H H 120 7.780 7.780 8.021 -0.241 19286 3988 1 13 . 1 1 121 121 LYS N N 121 120.870 120.870 125.931 -5.061 19286 3989 1 13 . 1 1 121 121 LYS H H 121 7.540 7.540 7.823 -0.283 19286 3990 1 13 . 1 1 122 122 GLU N N 122 120.160 120.160 123.347 -3.187 19286 3991 1 13 . 1 1 122 122 GLU H H 122 8.140 8.140 8.783 -0.643 19286 3992 1 14 . 1 1 4 4 MET N N 4 121.520 121.520 120.697 0.823 19286 3993 1 14 . 1 1 4 4 MET H H 4 8.450 8.450 7.819 0.631 19286 3994 1 14 . 1 1 5 5 THR N N 5 115.270 115.270 114.239 1.031 19286 3995 1 14 . 1 1 5 5 THR H H 5 8.090 8.090 7.983 0.107 19286 3996 1 14 . 1 1 6 6 GLU N N 6 123.580 123.580 119.693 3.887 19286 3997 1 14 . 1 1 6 6 GLU H H 6 8.430 8.430 8.609 -0.179 19286 3998 1 14 . 1 1 7 7 ARG N N 7 120.850 120.850 118.716 2.134 19286 3999 1 14 . 1 1 7 7 ARG H H 7 8.030 8.030 7.946 0.084 19286 4000 1 14 . 1 1 8 8 ARG N N 8 125.410 125.410 120.370 5.040 19286 4001 1 14 . 1 1 8 8 ARG HA H 8 4.370 4.370 4.263 0.107 19286 4002 1 14 . 1 1 8 8 ARG H H 8 8.310 8.310 7.852 0.458 19286 4003 1 14 . 1 1 9 9 LEU N N 9 130.330 130.330 119.984 10.346 19286 4004 1 14 . 1 1 9 9 LEU HA H 9 4.610 4.610 4.287 0.323 19286 4005 1 14 . 1 1 9 9 LEU H H 9 11.100 11.100 7.869 3.231 19286 4006 1 14 . 1 1 10 10 ARG N N 10 121.420 121.420 122.490 -1.070 19286 4007 1 14 . 1 1 10 10 ARG HA H 10 5.010 5.010 4.892 0.118 19286 4008 1 14 . 1 1 10 10 ARG CA C 10 55.940 55.940 55.350 0.590 19286 4009 1 14 . 1 1 10 10 ARG H H 10 9.620 9.620 8.618 1.002 19286 4010 1 14 . 1 1 11 11 VAL N N 11 125.110 125.110 123.966 1.144 19286 4011 1 14 . 1 1 11 11 VAL HA H 11 4.970 4.970 4.374 0.596 19286 4012 1 14 . 1 1 11 11 VAL H H 11 9.210 9.210 8.556 0.654 19286 4013 1 14 . 1 1 12 12 LEU N N 12 130.050 130.050 130.024 0.026 19286 4014 1 14 . 1 1 12 12 LEU HA H 12 4.780 4.780 4.782 -0.002 19286 4015 1 14 . 1 1 12 12 LEU H H 12 8.260 8.260 8.754 -0.494 19286 4016 1 14 . 1 1 13 13 VAL N N 13 128.060 128.060 124.036 4.024 19286 4017 1 14 . 1 1 13 13 VAL HA H 13 4.610 4.610 4.287 0.323 19286 4018 1 14 . 1 1 13 13 VAL H H 13 8.330 8.330 7.800 0.530 19286 4019 1 14 . 1 1 14 14 VAL N N 14 128.470 128.470 118.849 9.621 19286 4020 1 14 . 1 1 14 14 VAL HA H 14 4.700 4.700 4.625 0.075 19286 4021 1 14 . 1 1 14 14 VAL H H 14 8.840 8.840 9.067 -0.227 19286 4022 1 14 . 1 1 15 15 GLU N N 15 124.840 124.840 119.429 5.411 19286 4023 1 14 . 1 1 15 15 GLU HA H 15 4.620 4.620 4.634 -0.014 19286 4024 1 14 . 1 1 15 15 GLU H H 15 7.950 7.950 8.167 -0.217 19286 4025 1 14 . 1 1 16 16 ASP N N 16 125.840 125.840 118.882 6.958 19286 4026 1 14 . 1 1 16 16 ASP HA H 16 4.540 4.540 4.469 0.071 19286 4027 1 14 . 1 1 16 16 ASP H H 16 9.360 9.360 8.919 0.441 19286 4028 1 14 . 1 1 17 17 GLU HA H 17 4.290 4.290 4.591 -0.301 19286 4029 1 14 . 1 1 17 17 GLU CA C 17 55.540 55.540 54.869 0.671 19286 4030 1 14 . 1 1 18 18 SER N N 18 124.990 124.990 116.486 8.504 19286 4031 1 14 . 1 1 18 18 SER HA H 18 4.610 4.610 4.438 0.172 19286 4032 1 14 . 1 1 18 18 SER H H 18 8.820 8.820 8.906 -0.086 19286 4033 1 14 . 1 1 19 19 MET N N 19 119.940 119.940 121.510 -1.570 19286 4034 1 14 . 1 1 19 19 MET H H 19 9.030 9.030 8.115 0.915 19286 4035 1 14 . 1 1 20 20 ILE N N 20 118.700 118.700 117.312 1.388 19286 4036 1 14 . 1 1 20 20 ILE H H 20 7.200 7.200 7.504 -0.304 19286 4037 1 14 . 1 1 21 21 ALA N N 21 123.500 123.500 124.678 -1.178 19286 4038 1 14 . 1 1 21 21 ALA CB C 21 18.860 18.860 19.086 -0.226 19286 4039 1 14 . 1 1 21 21 ALA H H 21 8.370 8.370 7.838 0.532 19286 4040 1 14 . 1 1 22 22 MET N N 22 115.790 115.790 118.444 -2.654 19286 4041 1 14 . 1 1 22 22 MET HA H 22 4.160 4.160 4.323 -0.163 19286 4042 1 14 . 1 1 22 22 MET CA C 22 58.440 58.440 57.576 0.864 19286 4043 1 14 . 1 1 22 22 MET H H 22 8.090 8.090 7.931 0.159 19286 4044 1 14 . 1 1 23 23 LEU N N 23 120.400 120.400 119.511 0.889 19286 4045 1 14 . 1 1 23 23 LEU H H 23 7.490 7.490 8.110 -0.620 19286 4046 1 14 . 1 1 24 24 ILE N N 24 120.840 120.840 119.954 0.886 19286 4047 1 14 . 1 1 24 24 ILE HA H 24 3.520 3.520 4.209 -0.689 19286 4048 1 14 . 1 1 24 24 ILE CA C 24 67.190 67.190 62.249 4.941 19286 4049 1 14 . 1 1 24 24 ILE CB C 24 38.440 38.440 40.057 -1.617 19286 4050 1 14 . 1 1 24 24 ILE H H 24 8.630 8.630 7.600 1.030 19286 4051 1 14 . 1 1 25 25 GLU N N 25 119.380 119.380 119.784 -0.404 19286 4052 1 14 . 1 1 25 25 GLU H H 25 8.550 8.550 7.944 0.606 19286 4053 1 14 . 1 1 26 26 ASP N N 26 119.700 119.700 114.447 5.253 19286 4054 1 14 . 1 1 26 26 ASP H H 26 8.890 8.890 7.713 1.177 19286 4055 1 14 . 1 1 27 27 THR N N 27 117.460 117.460 112.833 4.627 19286 4056 1 14 . 1 1 27 27 THR HA H 27 4.270 4.270 4.333 -0.063 19286 4057 1 14 . 1 1 27 27 THR CA C 27 68.890 68.890 64.871 4.019 19286 4058 1 14 . 1 1 27 27 THR H H 27 8.100 8.100 8.001 0.099 19286 4059 1 14 . 1 1 28 28 LEU N N 28 120.440 120.440 122.392 -1.952 19286 4060 1 14 . 1 1 28 28 LEU HA H 28 3.920 3.920 4.427 -0.507 19286 4061 1 14 . 1 1 28 28 LEU CA C 28 58.440 58.440 57.408 1.032 19286 4062 1 14 . 1 1 28 28 LEU H H 28 8.610 8.610 9.027 -0.417 19286 4063 1 14 . 1 1 29 29 CYS N N 29 116.920 116.920 117.800 -0.880 19286 4064 1 14 . 1 1 29 29 CYS H H 29 8.180 8.180 7.796 0.384 19286 4065 1 14 . 1 1 30 30 GLU N N 30 122.820 122.820 121.444 1.376 19286 4066 1 14 . 1 1 30 30 GLU HA H 30 4.160 4.160 4.102 0.058 19286 4067 1 14 . 1 1 30 30 GLU CA C 30 59.690 59.690 58.719 0.971 19286 4068 1 14 . 1 1 30 30 GLU H H 30 8.060 8.060 8.310 -0.250 19286 4069 1 14 . 1 1 31 31 LEU N N 31 116.980 116.980 118.484 -1.504 19286 4070 1 14 . 1 1 31 31 LEU H H 31 7.660 7.660 7.452 0.208 19286 4071 1 14 . 1 1 32 32 GLY N N 32 105.410 105.410 106.384 -0.974 19286 4072 1 14 . 1 1 32 32 GLY H H 32 7.600 7.600 7.878 -0.278 19286 4073 1 14 . 1 1 33 33 HIS N N 33 119.380 119.380 117.746 1.634 19286 4074 1 14 . 1 1 33 33 HIS HA H 33 5.130 5.130 4.196 0.934 19286 4075 1 14 . 1 1 33 33 HIS CA C 33 56.350 56.350 59.106 -2.756 19286 4076 1 14 . 1 1 33 33 HIS CB C 33 33.470 33.470 30.030 3.440 19286 4077 1 14 . 1 1 33 33 HIS H H 33 7.780 7.780 7.623 0.157 19286 4078 1 14 . 1 1 34 34 GLU N N 34 117.930 117.930 123.671 -5.741 19286 4079 1 14 . 1 1 34 34 GLU H H 34 8.870 8.870 8.602 0.268 19286 4080 1 14 . 1 1 35 35 VAL N N 35 125.860 125.860 116.704 9.156 19286 4081 1 14 . 1 1 35 35 VAL HA H 35 4.710 4.710 4.219 0.491 19286 4082 1 14 . 1 1 35 35 VAL H H 35 8.870 8.870 7.990 0.880 19286 4083 1 14 . 1 1 36 36 ALA N N 36 132.950 132.950 131.170 1.780 19286 4084 1 14 . 1 1 36 36 ALA HA H 36 4.200 4.200 4.553 -0.353 19286 4085 1 14 . 1 1 36 36 ALA CB C 36 23.860 23.860 20.506 3.354 19286 4086 1 14 . 1 1 36 36 ALA H H 36 9.110 9.110 7.988 1.122 19286 4087 1 14 . 1 1 37 37 ALA N N 37 115.420 115.420 119.412 -3.992 19286 4088 1 14 . 1 1 37 37 ALA H H 37 7.480 7.480 8.008 -0.528 19286 4089 1 14 . 1 1 38 38 THR N N 38 112.980 112.980 116.024 -3.044 19286 4090 1 14 . 1 1 38 38 THR H H 38 8.170 8.170 8.187 -0.017 19286 4091 1 14 . 1 1 39 39 ALA CB C 39 22.610 22.610 18.821 3.789 19286 4092 1 14 . 1 1 40 40 SER N N 40 113.630 113.630 116.050 -2.420 19286 4093 1 14 . 1 1 40 40 SER HA H 40 4.450 4.450 4.446 0.004 19286 4094 1 14 . 1 1 40 40 SER CA C 40 57.480 57.480 58.829 -1.349 19286 4095 1 14 . 1 1 40 40 SER H H 40 8.980 8.980 8.615 0.365 19286 4096 1 14 . 1 1 41 41 ARG N N 41 117.890 117.890 127.388 -9.498 19286 4097 1 14 . 1 1 41 41 ARG CB C 41 34.110 34.110 32.594 1.516 19286 4098 1 14 . 1 1 41 41 ARG H H 41 7.340 7.340 8.041 -0.701 19286 4099 1 14 . 1 1 42 42 MET N N 42 123.460 123.460 125.010 -1.550 19286 4100 1 14 . 1 1 42 42 MET HA H 42 4.040 4.040 3.186 0.854 19286 4101 1 14 . 1 1 42 42 MET H H 42 9.340 9.340 8.801 0.539 19286 4102 1 14 . 1 1 43 43 GLN N N 43 117.010 117.010 119.348 -2.338 19286 4103 1 14 . 1 1 43 43 GLN H H 43 8.940 8.940 8.397 0.543 19286 4104 1 14 . 1 1 44 44 GLU N N 44 117.430 117.430 118.890 -1.460 19286 4105 1 14 . 1 1 44 44 GLU CB C 44 26.690 26.690 29.200 -2.510 19286 4106 1 14 . 1 1 44 44 GLU H H 44 7.160 7.160 8.436 -1.276 19286 4107 1 14 . 1 1 45 45 ALA N N 45 121.060 121.060 120.954 0.106 19286 4108 1 14 . 1 1 45 45 ALA HA H 45 3.680 3.680 3.906 -0.226 19286 4109 1 14 . 1 1 45 45 ALA CA C 45 55.940 55.940 54.980 0.960 19286 4110 1 14 . 1 1 45 45 ALA CB C 45 20.940 20.940 18.057 2.883 19286 4111 1 14 . 1 1 45 45 ALA H H 45 8.220 8.220 8.455 -0.235 19286 4112 1 14 . 1 1 46 46 LEU N N 46 116.750 116.750 117.923 -1.173 19286 4113 1 14 . 1 1 46 46 LEU H H 46 8.350 8.350 7.525 0.825 19286 4114 1 14 . 1 1 47 47 ASP N N 47 117.760 117.760 117.494 0.266 19286 4115 1 14 . 1 1 47 47 ASP H H 47 7.400 7.400 8.217 -0.817 19286 4116 1 14 . 1 1 48 48 ILE N N 48 118.660 118.660 113.143 5.517 19286 4117 1 14 . 1 1 48 48 ILE H H 48 8.220 8.220 7.076 1.144 19286 4118 1 14 . 1 1 49 49 ALA N N 49 123.150 123.150 123.846 -0.696 19286 4119 1 14 . 1 1 49 49 ALA HA H 49 4.040 4.040 4.126 -0.086 19286 4120 1 14 . 1 1 49 49 ALA CA C 49 55.940 55.940 54.009 1.931 19286 4121 1 14 . 1 1 49 49 ALA CB C 49 18.120 18.120 19.077 -0.957 19286 4122 1 14 . 1 1 49 49 ALA H H 49 8.610 8.610 7.535 1.075 19286 4123 1 14 . 1 1 50 50 ARG N N 50 113.110 113.110 118.826 -5.716 19286 4124 1 14 . 1 1 50 50 ARG CB C 50 26.570 26.570 29.607 -3.037 19286 4125 1 14 . 1 1 50 50 ARG H H 50 7.440 7.440 7.830 -0.390 19286 4126 1 14 . 1 1 51 51 LYS N N 51 114.910 114.910 117.340 -2.430 19286 4127 1 14 . 1 1 51 51 LYS H H 51 7.550 7.550 7.704 -0.154 19286 4128 1 14 . 1 1 52 52 GLY N N 52 108.150 108.150 108.377 -0.227 19286 4129 1 14 . 1 1 52 52 GLY H H 52 8.920 8.920 8.364 0.556 19286 4130 1 14 . 1 1 53 53 GLN N N 53 120.450 120.450 114.644 5.806 19286 4131 1 14 . 1 1 53 53 GLN H H 53 8.320 8.320 8.135 0.185 19286 4132 1 14 . 1 1 54 54 PHE N N 54 119.090 119.090 117.312 1.778 19286 4133 1 14 . 1 1 54 54 PHE H H 54 7.180 7.180 7.564 -0.384 19286 4134 1 14 . 1 1 55 55 ASP N N 55 117.290 117.290 120.570 -3.280 19286 4135 1 14 . 1 1 55 55 ASP H H 55 9.330 9.330 8.219 1.111 19286 4136 1 14 . 1 1 56 56 ILE N N 56 109.550 109.550 117.387 -7.837 19286 4137 1 14 . 1 1 56 56 ILE HA H 56 5.220 5.220 4.405 0.815 19286 4138 1 14 . 1 1 56 56 ILE CA C 56 59.690 59.690 60.604 -0.914 19286 4139 1 14 . 1 1 56 56 ILE H H 56 7.690 7.690 8.292 -0.602 19286 4140 1 14 . 1 1 57 57 ALA N N 57 122.390 122.390 125.810 -3.420 19286 4141 1 14 . 1 1 57 57 ALA HA H 57 5.480 5.480 5.544 -0.064 19286 4142 1 14 . 1 1 57 57 ALA CA C 57 50.940 50.940 51.273 -0.333 19286 4143 1 14 . 1 1 57 57 ALA H H 57 8.000 8.000 8.426 -0.426 19286 4144 1 14 . 1 1 59 59 ILE N N 59 122.950 122.950 128.111 -5.161 19286 4145 1 14 . 1 1 59 59 ILE HA H 59 4.990 4.990 4.389 0.601 19286 4146 1 14 . 1 1 59 59 ILE CA C 59 57.190 57.190 60.146 -2.956 19286 4147 1 14 . 1 1 59 59 ILE H H 59 8.930 8.930 7.573 1.357 19286 4148 1 14 . 1 1 60 60 ASP N N 60 127.320 127.320 123.825 3.495 19286 4149 1 14 . 1 1 60 60 ASP HA H 60 5.100 5.100 4.780 0.320 19286 4150 1 14 . 1 1 60 60 ASP CA C 60 55.100 55.100 53.034 2.066 19286 4151 1 14 . 1 1 60 60 ASP H H 60 8.360 8.360 7.527 0.833 19286 4152 1 14 . 1 1 61 61 VAL N N 61 121.040 121.040 120.300 0.740 19286 4153 1 14 . 1 1 61 61 VAL HA H 61 3.700 3.700 4.046 -0.346 19286 4154 1 14 . 1 1 61 61 VAL CA C 61 64.630 64.630 62.395 2.235 19286 4155 1 14 . 1 1 61 61 VAL CB C 61 31.590 31.590 31.798 -0.208 19286 4156 1 14 . 1 1 61 61 VAL H H 61 8.540 8.540 8.373 0.167 19286 4157 1 14 . 1 1 63 63 LEU N N 63 121.830 121.830 120.363 1.467 19286 4158 1 14 . 1 1 63 63 LEU HA H 63 4.400 4.400 4.588 -0.188 19286 4159 1 14 . 1 1 63 63 LEU CA C 63 52.810 52.810 54.553 -1.743 19286 4160 1 14 . 1 1 63 63 LEU H H 63 8.960 8.960 7.529 1.431 19286 4161 1 14 . 1 1 64 64 ASP N N 64 128.450 128.450 120.665 7.785 19286 4162 1 14 . 1 1 64 64 ASP HA H 64 4.290 4.290 4.308 -0.018 19286 4163 1 14 . 1 1 64 64 ASP CA C 64 55.940 55.940 55.540 0.400 19286 4164 1 14 . 1 1 64 64 ASP CB C 64 40.390 40.390 40.202 0.188 19286 4165 1 14 . 1 1 64 64 ASP H H 64 9.840 9.840 8.945 0.895 19286 4166 1 14 . 1 1 65 65 GLY N N 65 133.580 133.580 103.502 30.078 19286 4167 1 14 . 1 1 65 65 GLY H H 65 8.400 8.400 7.827 0.573 19286 4168 1 14 . 1 1 66 66 GLU N N 66 121.110 121.110 120.069 1.041 19286 4169 1 14 . 1 1 66 66 GLU HA H 66 4.920 4.920 3.963 0.957 19286 4170 1 14 . 1 1 66 66 GLU CA C 66 53.100 53.100 56.490 -3.390 19286 4171 1 14 . 1 1 66 66 GLU H H 66 7.790 7.790 8.167 -0.377 19286 4172 1 14 . 1 1 69 69 TYR N N 69 120.020 120.020 113.645 6.375 19286 4173 1 14 . 1 1 69 69 TYR HA H 69 4.410 4.410 4.242 0.168 19286 4174 1 14 . 1 1 69 69 TYR CA C 69 60.970 60.970 58.267 2.703 19286 4175 1 14 . 1 1 69 69 TYR H H 69 6.480 6.480 7.359 -0.879 19286 4176 1 14 . 1 1 71 71 VAL N N 71 115.000 115.000 117.618 -2.618 19286 4177 1 14 . 1 1 71 71 VAL H H 71 7.640 7.640 7.604 0.036 19286 4178 1 14 . 1 1 72 72 ALA N N 72 122.000 122.000 124.047 -2.047 19286 4179 1 14 . 1 1 72 72 ALA CB C 72 20.110 20.110 18.163 1.947 19286 4180 1 14 . 1 1 72 72 ALA H H 72 6.890 6.890 7.991 -1.101 19286 4181 1 14 . 1 1 73 73 ASP N N 73 116.020 116.020 118.650 -2.630 19286 4182 1 14 . 1 1 73 73 ASP H H 73 8.610 8.610 7.628 0.982 19286 4183 1 14 . 1 1 74 74 ILE N N 74 120.950 120.950 120.223 0.727 19286 4184 1 14 . 1 1 74 74 ILE H H 74 7.060 7.060 7.369 -0.309 19286 4185 1 14 . 1 1 75 75 LEU N N 75 119.760 119.760 119.561 0.199 19286 4186 1 14 . 1 1 75 75 LEU H H 75 7.460 7.460 8.509 -1.049 19286 4187 1 14 . 1 1 76 76 ALA N N 76 121.160 121.160 119.502 1.658 19286 4188 1 14 . 1 1 76 76 ALA H H 76 8.910 8.910 7.605 1.305 19286 4189 1 14 . 1 1 77 77 GLU N N 77 120.340 120.340 117.937 2.403 19286 4190 1 14 . 1 1 77 77 GLU H H 77 7.800 7.800 8.045 -0.245 19286 4191 1 14 . 1 1 78 78 ARG N N 78 116.210 116.210 115.923 0.287 19286 4192 1 14 . 1 1 78 78 ARG H H 78 7.740 7.740 7.521 0.219 19286 4193 1 14 . 1 1 79 79 ASN N N 79 116.230 116.230 117.559 -1.329 19286 4194 1 14 . 1 1 79 79 ASN H H 79 8.030 8.030 7.721 0.309 19286 4195 1 14 . 1 1 80 80 VAL N N 80 121.200 121.200 115.672 5.528 19286 4196 1 14 . 1 1 80 80 VAL H H 80 8.200 8.200 7.324 0.876 19286 4197 1 14 . 1 1 82 82 PHE N N 82 113.440 113.440 119.960 -6.520 19286 4198 1 14 . 1 1 82 82 PHE HA H 82 5.690 5.690 4.992 0.698 19286 4199 1 14 . 1 1 82 82 PHE CA C 82 55.480 55.480 55.350 0.130 19286 4200 1 14 . 1 1 82 82 PHE CB C 82 43.610 43.610 40.120 3.490 19286 4201 1 14 . 1 1 82 82 PHE H H 82 7.310 7.310 8.438 -1.128 19286 4202 1 14 . 1 1 83 83 ILE N N 83 115.230 115.230 118.388 -3.158 19286 4203 1 14 . 1 1 83 83 ILE HA H 83 4.260 4.260 3.802 0.458 19286 4204 1 14 . 1 1 83 83 ILE CA C 83 59.690 59.690 61.337 -1.647 19286 4205 1 14 . 1 1 83 83 ILE H H 83 7.880 7.880 7.561 0.319 19286 4206 1 14 . 1 1 84 84 PHE N N 84 122.680 122.680 122.262 0.418 19286 4207 1 14 . 1 1 84 84 PHE HA H 84 6.190 6.190 4.954 1.236 19286 4208 1 14 . 1 1 84 84 PHE CA C 84 55.470 55.470 56.509 -1.039 19286 4209 1 14 . 1 1 84 84 PHE H H 84 8.360 8.360 7.990 0.370 19286 4210 1 14 . 1 1 85 85 ALA N N 85 123.760 123.760 121.496 2.264 19286 4211 1 14 . 1 1 85 85 ALA HA H 85 5.540 5.540 4.669 0.871 19286 4212 1 14 . 1 1 85 85 ALA CA C 85 50.940 50.940 52.296 -1.356 19286 4213 1 14 . 1 1 85 85 ALA H H 85 8.570 8.570 7.594 0.976 19286 4214 1 14 . 1 1 86 86 THR N N 86 114.260 114.260 112.129 2.131 19286 4215 1 14 . 1 1 86 86 THR HA H 86 4.290 4.290 4.388 -0.098 19286 4216 1 14 . 1 1 86 86 THR CA C 86 56.720 56.720 61.521 -4.801 19286 4217 1 14 . 1 1 86 86 THR CB C 86 69.610 69.610 69.556 0.054 19286 4218 1 14 . 1 1 86 86 THR H H 86 8.640 8.640 7.851 0.789 19286 4219 1 14 . 1 1 87 87 GLY N N 87 112.830 112.830 110.001 2.829 19286 4220 1 14 . 1 1 87 87 GLY H H 87 8.590 8.590 8.728 -0.138 19286 4221 1 14 . 1 1 89 89 GLY N N 89 111.750 111.750 105.978 5.772 19286 4222 1 14 . 1 1 89 89 GLY H H 89 8.300 8.300 8.027 0.273 19286 4223 1 14 . 1 1 90 90 SER CA C 90 57.970 57.970 58.244 -0.274 19286 4224 1 14 . 1 1 90 90 SER H H 90 4.990 4.990 7.208 -2.218 19286 4225 1 14 . 1 1 91 91 LYS N N 91 122.950 122.950 118.981 3.969 19286 4226 1 14 . 1 1 91 91 LYS H H 91 8.180 8.180 8.157 0.023 19286 4227 1 14 . 1 1 92 92 GLY N N 92 109.390 109.390 109.156 0.234 19286 4228 1 14 . 1 1 92 92 GLY H H 92 8.320 8.320 8.151 0.169 19286 4229 1 14 . 1 1 93 93 LEU N N 93 121.760 121.760 118.408 3.352 19286 4230 1 14 . 1 1 93 93 LEU CB C 93 42.970 42.970 42.609 0.361 19286 4231 1 14 . 1 1 93 93 LEU H H 93 7.910 7.910 7.676 0.234 19286 4232 1 14 . 1 1 94 94 ASP N N 94 122.710 122.710 121.446 1.264 19286 4233 1 14 . 1 1 94 94 ASP H H 94 7.650 7.650 8.540 -0.890 19286 4234 1 14 . 1 1 95 95 THR N N 95 117.650 117.650 113.356 4.294 19286 4235 1 14 . 1 1 95 95 THR H H 95 8.210 8.210 8.323 -0.113 19286 4236 1 14 . 1 1 96 96 ARG N N 96 122.360 122.360 121.171 1.189 19286 4237 1 14 . 1 1 96 96 ARG H H 96 8.700 8.700 8.988 -0.288 19286 4238 1 14 . 1 1 97 97 TYR N N 97 117.080 117.080 118.622 -1.542 19286 4239 1 14 . 1 1 97 97 TYR CB C 97 39.220 39.220 39.479 -0.259 19286 4240 1 14 . 1 1 97 97 TYR H H 97 8.000 8.000 7.662 0.338 19286 4241 1 14 . 1 1 98 98 SER N N 98 114.730 114.730 109.955 4.775 19286 4242 1 14 . 1 1 98 98 SER H H 98 7.580 7.580 8.730 -1.150 19286 4243 1 14 . 1 1 99 99 ASN N N 99 117.230 117.230 115.629 1.601 19286 4244 1 14 . 1 1 99 99 ASN H H 99 8.600 8.600 8.656 -0.056 19286 4245 1 14 . 1 1 100 100 ILE N N 100 124.250 124.250 111.927 12.323 19286 4246 1 14 . 1 1 100 100 ILE H H 100 7.520 7.520 7.725 -0.205 19286 4247 1 14 . 1 1 102 102 LEU N N 102 121.060 121.060 118.021 3.039 19286 4248 1 14 . 1 1 102 102 LEU H H 102 7.870 7.870 7.495 0.375 19286 4249 1 14 . 1 1 103 103 LEU N N 103 126.970 126.970 120.045 6.925 19286 4250 1 14 . 1 1 103 103 LEU HA H 103 4.620 4.620 4.774 -0.154 19286 4251 1 14 . 1 1 103 103 LEU CA C 103 54.690 54.690 53.924 0.766 19286 4252 1 14 . 1 1 103 103 LEU H H 103 9.080 9.080 7.957 1.123 19286 4253 1 14 . 1 1 104 104 THR N N 104 118.430 118.430 114.598 3.832 19286 4254 1 14 . 1 1 104 104 THR HA H 104 4.760 4.760 4.248 0.512 19286 4255 1 14 . 1 1 104 104 THR CA C 104 63.440 63.440 63.757 -0.317 19286 4256 1 14 . 1 1 104 104 THR H H 104 8.430 8.430 8.230 0.200 19286 4257 1 14 . 1 1 105 105 LYS N N 105 122.030 122.030 118.266 3.764 19286 4258 1 14 . 1 1 105 105 LYS HA H 105 4.290 4.290 4.695 -0.405 19286 4259 1 14 . 1 1 105 105 LYS CA C 105 54.690 54.690 54.749 -0.059 19286 4260 1 14 . 1 1 105 105 LYS H H 105 8.170 8.170 8.357 -0.187 19286 4261 1 14 . 1 1 107 107 PHE N N 107 118.490 118.490 116.310 2.180 19286 4262 1 14 . 1 1 107 107 PHE H H 107 7.470 7.470 7.760 -0.290 19286 4263 1 14 . 1 1 109 109 ASP N N 109 124.810 124.810 118.526 6.284 19286 4264 1 14 . 1 1 109 109 ASP HA H 109 4.710 4.710 4.234 0.476 19286 4265 1 14 . 1 1 109 109 ASP H H 109 9.130 9.130 8.980 0.150 19286 4266 1 14 . 1 1 110 110 SER HA H 110 4.270 4.270 4.419 -0.149 19286 4267 1 14 . 1 1 110 110 SER CA C 110 59.690 59.690 59.490 0.200 19286 4268 1 14 . 1 1 111 111 GLU N N 111 123.780 123.780 121.275 2.505 19286 4269 1 14 . 1 1 111 111 GLU HA H 111 4.060 4.060 3.887 0.173 19286 4270 1 14 . 1 1 111 111 GLU CA C 111 58.440 58.440 59.423 -0.983 19286 4271 1 14 . 1 1 111 111 GLU H H 111 7.410 7.410 8.512 -1.102 19286 4272 1 14 . 1 1 112 112 LEU N N 112 120.180 120.180 118.614 1.566 19286 4273 1 14 . 1 1 112 112 LEU HA H 112 3.900 3.900 3.840 0.060 19286 4274 1 14 . 1 1 112 112 LEU CA C 112 58.440 58.440 57.554 0.886 19286 4275 1 14 . 1 1 112 112 LEU H H 112 7.670 7.670 7.825 -0.155 19286 4276 1 14 . 1 1 113 113 GLU N N 113 118.380 118.380 119.214 -0.834 19286 4277 1 14 . 1 1 113 113 GLU HA H 113 3.730 3.730 3.815 -0.085 19286 4278 1 14 . 1 1 113 113 GLU CA C 113 60.940 60.940 59.417 1.523 19286 4279 1 14 . 1 1 113 113 GLU H H 113 8.530 8.530 8.040 0.490 19286 4280 1 14 . 1 1 114 114 ALA N N 114 117.790 117.790 119.518 -1.728 19286 4281 1 14 . 1 1 114 114 ALA HA H 114 4.140 4.140 4.110 0.030 19286 4282 1 14 . 1 1 114 114 ALA CA C 114 55.540 55.540 54.867 0.673 19286 4283 1 14 . 1 1 114 114 ALA CB C 114 18.440 18.440 18.765 -0.325 19286 4284 1 14 . 1 1 114 114 ALA H H 114 7.480 7.480 8.245 -0.765 19286 4285 1 14 . 1 1 115 115 VAL N N 115 116.000 116.000 114.919 1.081 19286 4286 1 14 . 1 1 115 115 VAL HA H 115 4.030 4.030 4.106 -0.076 19286 4287 1 14 . 1 1 115 115 VAL CA C 115 65.940 65.940 64.015 1.925 19286 4288 1 14 . 1 1 115 115 VAL H H 115 7.540 7.540 8.006 -0.466 19286 4289 1 14 . 1 1 116 116 LEU HA H 116 4.280 4.280 4.266 0.014 19286 4290 1 14 . 1 1 116 116 LEU CA C 116 57.570 57.570 57.395 0.175 19286 4291 1 14 . 1 1 117 117 VAL N N 117 119.140 119.140 112.451 6.689 19286 4292 1 14 . 1 1 117 117 VAL H H 117 8.200 8.200 8.119 0.081 19286 4293 1 14 . 1 1 120 120 SER N N 120 115.730 115.730 117.417 -1.687 19286 4294 1 14 . 1 1 120 120 SER H H 120 7.780 7.780 7.662 0.118 19286 4295 1 14 . 1 1 121 121 LYS N N 121 120.870 120.870 124.705 -3.835 19286 4296 1 14 . 1 1 121 121 LYS H H 121 7.540 7.540 8.438 -0.898 19286 4297 1 14 . 1 1 122 122 GLU N N 122 120.160 120.160 119.053 1.107 19286 4298 1 14 . 1 1 122 122 GLU H H 122 8.140 8.140 8.458 -0.318 19286 4299 1 15 . 1 1 4 4 MET N N 4 121.520 121.520 120.639 0.881 19286 4300 1 15 . 1 1 4 4 MET H H 4 8.450 8.450 8.161 0.289 19286 4301 1 15 . 1 1 5 5 THR N N 5 115.270 115.270 113.853 1.417 19286 4302 1 15 . 1 1 5 5 THR H H 5 8.090 8.090 7.989 0.101 19286 4303 1 15 . 1 1 6 6 GLU N N 6 123.580 123.580 118.993 4.587 19286 4304 1 15 . 1 1 6 6 GLU H H 6 8.430 8.430 8.496 -0.066 19286 4305 1 15 . 1 1 7 7 ARG N N 7 120.850 120.850 120.778 0.072 19286 4306 1 15 . 1 1 7 7 ARG H H 7 8.030 8.030 7.841 0.189 19286 4307 1 15 . 1 1 8 8 ARG N N 8 125.410 125.410 119.516 5.894 19286 4308 1 15 . 1 1 8 8 ARG HA H 8 4.370 4.370 4.451 -0.081 19286 4309 1 15 . 1 1 8 8 ARG H H 8 8.310 8.310 8.403 -0.093 19286 4310 1 15 . 1 1 9 9 LEU N N 9 130.330 130.330 124.327 6.003 19286 4311 1 15 . 1 1 9 9 LEU HA H 9 4.610 4.610 4.355 0.255 19286 4312 1 15 . 1 1 9 9 LEU H H 9 11.100 11.100 7.767 3.333 19286 4313 1 15 . 1 1 10 10 ARG N N 10 121.420 121.420 122.686 -1.266 19286 4314 1 15 . 1 1 10 10 ARG HA H 10 5.010 5.010 4.456 0.554 19286 4315 1 15 . 1 1 10 10 ARG CA C 10 55.940 55.940 54.224 1.716 19286 4316 1 15 . 1 1 10 10 ARG H H 10 9.620 9.620 8.065 1.555 19286 4317 1 15 . 1 1 11 11 VAL N N 11 125.110 125.110 120.054 5.056 19286 4318 1 15 . 1 1 11 11 VAL HA H 11 4.970 4.970 4.761 0.209 19286 4319 1 15 . 1 1 11 11 VAL H H 11 9.210 9.210 8.435 0.775 19286 4320 1 15 . 1 1 12 12 LEU N N 12 130.050 130.050 128.935 1.115 19286 4321 1 15 . 1 1 12 12 LEU HA H 12 4.780 4.780 4.574 0.206 19286 4322 1 15 . 1 1 12 12 LEU H H 12 8.260 8.260 8.559 -0.299 19286 4323 1 15 . 1 1 13 13 VAL N N 13 128.060 128.060 125.230 2.830 19286 4324 1 15 . 1 1 13 13 VAL HA H 13 4.610 4.610 4.277 0.333 19286 4325 1 15 . 1 1 13 13 VAL H H 13 8.330 8.330 7.999 0.331 19286 4326 1 15 . 1 1 14 14 VAL N N 14 128.470 128.470 119.007 9.463 19286 4327 1 15 . 1 1 14 14 VAL HA H 14 4.700 4.700 4.743 -0.043 19286 4328 1 15 . 1 1 14 14 VAL H H 14 8.840 8.840 8.534 0.306 19286 4329 1 15 . 1 1 15 15 GLU N N 15 124.840 124.840 120.974 3.866 19286 4330 1 15 . 1 1 15 15 GLU HA H 15 4.620 4.620 4.456 0.164 19286 4331 1 15 . 1 1 15 15 GLU H H 15 7.950 7.950 8.189 -0.239 19286 4332 1 15 . 1 1 16 16 ASP N N 16 125.840 125.840 122.367 3.473 19286 4333 1 15 . 1 1 16 16 ASP HA H 16 4.540 4.540 4.334 0.206 19286 4334 1 15 . 1 1 16 16 ASP H H 16 9.360 9.360 8.651 0.709 19286 4335 1 15 . 1 1 17 17 GLU HA H 17 4.290 4.290 4.326 -0.036 19286 4336 1 15 . 1 1 17 17 GLU CA C 17 55.540 55.540 56.263 -0.723 19286 4337 1 15 . 1 1 18 18 SER N N 18 124.990 124.990 116.511 8.479 19286 4338 1 15 . 1 1 18 18 SER HA H 18 4.610 4.610 4.415 0.195 19286 4339 1 15 . 1 1 18 18 SER H H 18 8.820 8.820 8.902 -0.082 19286 4340 1 15 . 1 1 19 19 MET N N 19 119.940 119.940 121.879 -1.939 19286 4341 1 15 . 1 1 19 19 MET H H 19 9.030 9.030 8.423 0.607 19286 4342 1 15 . 1 1 20 20 ILE N N 20 118.700 118.700 116.423 2.277 19286 4343 1 15 . 1 1 20 20 ILE H H 20 7.200 7.200 7.604 -0.404 19286 4344 1 15 . 1 1 21 21 ALA N N 21 123.500 123.500 125.142 -1.642 19286 4345 1 15 . 1 1 21 21 ALA CB C 21 18.860 18.860 18.968 -0.108 19286 4346 1 15 . 1 1 21 21 ALA H H 21 8.370 8.370 8.115 0.255 19286 4347 1 15 . 1 1 22 22 MET N N 22 115.790 115.790 118.974 -3.184 19286 4348 1 15 . 1 1 22 22 MET HA H 22 4.160 4.160 4.213 -0.053 19286 4349 1 15 . 1 1 22 22 MET CA C 22 58.440 58.440 58.719 -0.279 19286 4350 1 15 . 1 1 22 22 MET H H 22 8.090 8.090 7.768 0.322 19286 4351 1 15 . 1 1 23 23 LEU N N 23 120.400 120.400 120.387 0.013 19286 4352 1 15 . 1 1 23 23 LEU H H 23 7.490 7.490 7.869 -0.379 19286 4353 1 15 . 1 1 24 24 ILE N N 24 120.840 120.840 121.112 -0.272 19286 4354 1 15 . 1 1 24 24 ILE HA H 24 3.520 3.520 3.943 -0.423 19286 4355 1 15 . 1 1 24 24 ILE CA C 24 67.190 67.190 64.174 3.016 19286 4356 1 15 . 1 1 24 24 ILE CB C 24 38.440 38.440 39.048 -0.608 19286 4357 1 15 . 1 1 24 24 ILE H H 24 8.630 8.630 8.793 -0.163 19286 4358 1 15 . 1 1 25 25 GLU N N 25 119.380 119.380 120.242 -0.862 19286 4359 1 15 . 1 1 25 25 GLU H H 25 8.550 8.550 7.906 0.644 19286 4360 1 15 . 1 1 26 26 ASP N N 26 119.700 119.700 117.116 2.584 19286 4361 1 15 . 1 1 26 26 ASP H H 26 8.890 8.890 7.920 0.970 19286 4362 1 15 . 1 1 27 27 THR N N 27 117.460 117.460 116.605 0.855 19286 4363 1 15 . 1 1 27 27 THR HA H 27 4.270 4.270 4.050 0.220 19286 4364 1 15 . 1 1 27 27 THR CA C 27 68.890 68.890 66.539 2.351 19286 4365 1 15 . 1 1 27 27 THR H H 27 8.100 8.100 7.178 0.922 19286 4366 1 15 . 1 1 28 28 LEU N N 28 120.440 120.440 122.756 -2.316 19286 4367 1 15 . 1 1 28 28 LEU HA H 28 3.920 3.920 4.292 -0.372 19286 4368 1 15 . 1 1 28 28 LEU CA C 28 58.440 58.440 57.754 0.686 19286 4369 1 15 . 1 1 28 28 LEU H H 28 8.610 8.610 8.711 -0.101 19286 4370 1 15 . 1 1 29 29 CYS N N 29 116.920 116.920 117.094 -0.174 19286 4371 1 15 . 1 1 29 29 CYS H H 29 8.180 8.180 8.147 0.033 19286 4372 1 15 . 1 1 30 30 GLU N N 30 122.820 122.820 120.760 2.060 19286 4373 1 15 . 1 1 30 30 GLU HA H 30 4.160 4.160 4.220 -0.060 19286 4374 1 15 . 1 1 30 30 GLU CA C 30 59.690 59.690 58.578 1.112 19286 4375 1 15 . 1 1 30 30 GLU H H 30 8.060 8.060 7.774 0.286 19286 4376 1 15 . 1 1 31 31 LEU N N 31 116.980 116.980 118.395 -1.415 19286 4377 1 15 . 1 1 31 31 LEU H H 31 7.660 7.660 7.439 0.221 19286 4378 1 15 . 1 1 32 32 GLY N N 32 105.410 105.410 106.472 -1.062 19286 4379 1 15 . 1 1 32 32 GLY H H 32 7.600 7.600 8.080 -0.480 19286 4380 1 15 . 1 1 33 33 HIS N N 33 119.380 119.380 118.933 0.447 19286 4381 1 15 . 1 1 33 33 HIS HA H 33 5.130 5.130 4.494 0.636 19286 4382 1 15 . 1 1 33 33 HIS CA C 33 56.350 56.350 57.178 -0.828 19286 4383 1 15 . 1 1 33 33 HIS CB C 33 33.470 33.470 30.317 3.153 19286 4384 1 15 . 1 1 33 33 HIS H H 33 7.780 7.780 7.820 -0.040 19286 4385 1 15 . 1 1 34 34 GLU N N 34 117.930 117.930 120.100 -2.170 19286 4386 1 15 . 1 1 34 34 GLU H H 34 8.870 8.870 8.275 0.595 19286 4387 1 15 . 1 1 35 35 VAL N N 35 125.860 125.860 118.447 7.413 19286 4388 1 15 . 1 1 35 35 VAL HA H 35 4.710 4.710 4.216 0.494 19286 4389 1 15 . 1 1 35 35 VAL H H 35 8.870 8.870 8.289 0.581 19286 4390 1 15 . 1 1 36 36 ALA N N 36 132.950 132.950 131.388 1.562 19286 4391 1 15 . 1 1 36 36 ALA HA H 36 4.200 4.200 4.259 -0.059 19286 4392 1 15 . 1 1 36 36 ALA CB C 36 23.860 23.860 19.769 4.091 19286 4393 1 15 . 1 1 36 36 ALA H H 36 9.110 9.110 8.246 0.864 19286 4394 1 15 . 1 1 37 37 ALA N N 37 115.420 115.420 119.373 -3.953 19286 4395 1 15 . 1 1 37 37 ALA H H 37 7.480 7.480 7.967 -0.487 19286 4396 1 15 . 1 1 38 38 THR N N 38 112.980 112.980 113.968 -0.988 19286 4397 1 15 . 1 1 38 38 THR H H 38 8.170 8.170 8.264 -0.094 19286 4398 1 15 . 1 1 39 39 ALA CB C 39 22.610 22.610 18.905 3.705 19286 4399 1 15 . 1 1 40 40 SER N N 40 113.630 113.630 116.503 -2.873 19286 4400 1 15 . 1 1 40 40 SER HA H 40 4.450 4.450 4.401 0.049 19286 4401 1 15 . 1 1 40 40 SER CA C 40 57.480 57.480 58.776 -1.296 19286 4402 1 15 . 1 1 40 40 SER H H 40 8.980 8.980 8.256 0.724 19286 4403 1 15 . 1 1 41 41 ARG N N 41 117.890 117.890 127.395 -9.505 19286 4404 1 15 . 1 1 41 41 ARG CB C 41 34.110 34.110 33.180 0.930 19286 4405 1 15 . 1 1 41 41 ARG H H 41 7.340 7.340 8.354 -1.014 19286 4406 1 15 . 1 1 42 42 MET N N 42 123.460 123.460 124.721 -1.261 19286 4407 1 15 . 1 1 42 42 MET HA H 42 4.040 4.040 3.708 0.332 19286 4408 1 15 . 1 1 42 42 MET H H 42 9.340 9.340 8.740 0.600 19286 4409 1 15 . 1 1 43 43 GLN N N 43 117.010 117.010 119.126 -2.116 19286 4410 1 15 . 1 1 43 43 GLN H H 43 8.940 8.940 8.140 0.800 19286 4411 1 15 . 1 1 44 44 GLU N N 44 117.430 117.430 118.631 -1.201 19286 4412 1 15 . 1 1 44 44 GLU CB C 44 26.690 26.690 29.109 -2.419 19286 4413 1 15 . 1 1 44 44 GLU H H 44 7.160 7.160 8.154 -0.994 19286 4414 1 15 . 1 1 45 45 ALA N N 45 121.060 121.060 122.747 -1.687 19286 4415 1 15 . 1 1 45 45 ALA HA H 45 3.680 3.680 3.960 -0.280 19286 4416 1 15 . 1 1 45 45 ALA CA C 45 55.940 55.940 55.169 0.771 19286 4417 1 15 . 1 1 45 45 ALA CB C 45 20.940 20.940 18.527 2.413 19286 4418 1 15 . 1 1 45 45 ALA H H 45 8.220 8.220 8.072 0.148 19286 4419 1 15 . 1 1 46 46 LEU N N 46 116.750 116.750 117.683 -0.933 19286 4420 1 15 . 1 1 46 46 LEU H H 46 8.350 8.350 8.355 -0.005 19286 4421 1 15 . 1 1 47 47 ASP N N 47 117.760 117.760 117.295 0.465 19286 4422 1 15 . 1 1 47 47 ASP H H 47 7.400 7.400 8.177 -0.777 19286 4423 1 15 . 1 1 48 48 ILE N N 48 118.660 118.660 114.506 4.154 19286 4424 1 15 . 1 1 48 48 ILE H H 48 8.220 8.220 7.582 0.638 19286 4425 1 15 . 1 1 49 49 ALA N N 49 123.150 123.150 123.230 -0.080 19286 4426 1 15 . 1 1 49 49 ALA HA H 49 4.040 4.040 4.139 -0.099 19286 4427 1 15 . 1 1 49 49 ALA CA C 49 55.940 55.940 53.875 2.065 19286 4428 1 15 . 1 1 49 49 ALA CB C 49 18.120 18.120 19.545 -1.425 19286 4429 1 15 . 1 1 49 49 ALA H H 49 8.610 8.610 7.694 0.916 19286 4430 1 15 . 1 1 50 50 ARG N N 50 113.110 113.110 119.871 -6.761 19286 4431 1 15 . 1 1 50 50 ARG CB C 50 26.570 26.570 29.676 -3.106 19286 4432 1 15 . 1 1 50 50 ARG H H 50 7.440 7.440 7.854 -0.414 19286 4433 1 15 . 1 1 51 51 LYS N N 51 114.910 114.910 120.235 -5.325 19286 4434 1 15 . 1 1 51 51 LYS H H 51 7.550 7.550 7.817 -0.267 19286 4435 1 15 . 1 1 52 52 GLY N N 52 108.150 108.150 107.408 0.742 19286 4436 1 15 . 1 1 52 52 GLY H H 52 8.920 8.920 8.174 0.746 19286 4437 1 15 . 1 1 53 53 GLN N N 53 120.450 120.450 115.833 4.617 19286 4438 1 15 . 1 1 53 53 GLN H H 53 8.320 8.320 8.213 0.107 19286 4439 1 15 . 1 1 54 54 PHE N N 54 119.090 119.090 115.318 3.772 19286 4440 1 15 . 1 1 54 54 PHE H H 54 7.180 7.180 7.823 -0.643 19286 4441 1 15 . 1 1 55 55 ASP N N 55 117.290 117.290 119.062 -1.772 19286 4442 1 15 . 1 1 55 55 ASP H H 55 9.330 9.330 8.120 1.210 19286 4443 1 15 . 1 1 56 56 ILE N N 56 109.550 109.550 117.725 -8.175 19286 4444 1 15 . 1 1 56 56 ILE HA H 56 5.220 5.220 4.752 0.468 19286 4445 1 15 . 1 1 56 56 ILE CA C 56 59.690 59.690 60.220 -0.530 19286 4446 1 15 . 1 1 56 56 ILE H H 56 7.690 7.690 8.443 -0.753 19286 4447 1 15 . 1 1 57 57 ALA N N 57 122.390 122.390 125.495 -3.105 19286 4448 1 15 . 1 1 57 57 ALA HA H 57 5.480 5.480 5.389 0.091 19286 4449 1 15 . 1 1 57 57 ALA CA C 57 50.940 50.940 51.309 -0.369 19286 4450 1 15 . 1 1 57 57 ALA H H 57 8.000 8.000 8.371 -0.371 19286 4451 1 15 . 1 1 59 59 ILE N N 59 122.950 122.950 128.918 -5.968 19286 4452 1 15 . 1 1 59 59 ILE HA H 59 4.990 4.990 4.291 0.699 19286 4453 1 15 . 1 1 59 59 ILE CA C 59 57.190 57.190 59.161 -1.971 19286 4454 1 15 . 1 1 59 59 ILE H H 59 8.930 8.930 7.727 1.203 19286 4455 1 15 . 1 1 60 60 ASP N N 60 127.320 127.320 124.063 3.257 19286 4456 1 15 . 1 1 60 60 ASP HA H 60 5.100 5.100 4.369 0.731 19286 4457 1 15 . 1 1 60 60 ASP CA C 60 55.100 55.100 54.250 0.850 19286 4458 1 15 . 1 1 60 60 ASP H H 60 8.360 8.360 7.759 0.601 19286 4459 1 15 . 1 1 61 61 VAL N N 61 121.040 121.040 118.728 2.312 19286 4460 1 15 . 1 1 61 61 VAL HA H 61 3.700 3.700 3.646 0.054 19286 4461 1 15 . 1 1 61 61 VAL CA C 61 64.630 64.630 62.962 1.667 19286 4462 1 15 . 1 1 61 61 VAL CB C 61 31.590 31.590 31.332 0.258 19286 4463 1 15 . 1 1 61 61 VAL H H 61 8.540 8.540 8.198 0.342 19286 4464 1 15 . 1 1 63 63 LEU N N 63 121.830 121.830 122.888 -1.058 19286 4465 1 15 . 1 1 63 63 LEU HA H 63 4.400 4.400 4.561 -0.161 19286 4466 1 15 . 1 1 63 63 LEU CA C 63 52.810 52.810 54.749 -1.939 19286 4467 1 15 . 1 1 63 63 LEU H H 63 8.960 8.960 8.085 0.875 19286 4468 1 15 . 1 1 64 64 ASP N N 64 128.450 128.450 119.701 8.749 19286 4469 1 15 . 1 1 64 64 ASP HA H 64 4.290 4.290 4.432 -0.142 19286 4470 1 15 . 1 1 64 64 ASP CA C 64 55.940 55.940 56.030 -0.090 19286 4471 1 15 . 1 1 64 64 ASP CB C 64 40.390 40.390 40.473 -0.083 19286 4472 1 15 . 1 1 64 64 ASP H H 64 9.840 9.840 8.930 0.910 19286 4473 1 15 . 1 1 65 65 GLY N N 65 133.580 133.580 103.114 30.466 19286 4474 1 15 . 1 1 65 65 GLY H H 65 8.400 8.400 7.907 0.493 19286 4475 1 15 . 1 1 66 66 GLU N N 66 121.110 121.110 119.944 1.166 19286 4476 1 15 . 1 1 66 66 GLU HA H 66 4.920 4.920 4.091 0.829 19286 4477 1 15 . 1 1 66 66 GLU CA C 66 53.100 53.100 56.334 -3.234 19286 4478 1 15 . 1 1 66 66 GLU H H 66 7.790 7.790 7.869 -0.079 19286 4479 1 15 . 1 1 69 69 TYR N N 69 120.020 120.020 116.505 3.515 19286 4480 1 15 . 1 1 69 69 TYR HA H 69 4.410 4.410 4.222 0.188 19286 4481 1 15 . 1 1 69 69 TYR CA C 69 60.970 60.970 57.803 3.167 19286 4482 1 15 . 1 1 69 69 TYR H H 69 6.480 6.480 7.733 -1.253 19286 4483 1 15 . 1 1 71 71 VAL N N 71 115.000 115.000 116.007 -1.007 19286 4484 1 15 . 1 1 71 71 VAL H H 71 7.640 7.640 7.450 0.190 19286 4485 1 15 . 1 1 72 72 ALA N N 72 122.000 122.000 122.802 -0.802 19286 4486 1 15 . 1 1 72 72 ALA CB C 72 20.110 20.110 17.849 2.261 19286 4487 1 15 . 1 1 72 72 ALA H H 72 6.890 6.890 7.917 -1.027 19286 4488 1 15 . 1 1 73 73 ASP N N 73 116.020 116.020 118.307 -2.287 19286 4489 1 15 . 1 1 73 73 ASP H H 73 8.610 8.610 7.686 0.924 19286 4490 1 15 . 1 1 74 74 ILE N N 74 120.950 120.950 121.095 -0.145 19286 4491 1 15 . 1 1 74 74 ILE H H 74 7.060 7.060 7.312 -0.252 19286 4492 1 15 . 1 1 75 75 LEU N N 75 119.760 119.760 119.218 0.542 19286 4493 1 15 . 1 1 75 75 LEU H H 75 7.460 7.460 8.197 -0.737 19286 4494 1 15 . 1 1 76 76 ALA N N 76 121.160 121.160 120.201 0.959 19286 4495 1 15 . 1 1 76 76 ALA H H 76 8.910 8.910 8.211 0.699 19286 4496 1 15 . 1 1 77 77 GLU N N 77 120.340 120.340 117.845 2.495 19286 4497 1 15 . 1 1 77 77 GLU H H 77 7.800 7.800 8.022 -0.222 19286 4498 1 15 . 1 1 78 78 ARG N N 78 116.210 116.210 114.280 1.930 19286 4499 1 15 . 1 1 78 78 ARG H H 78 7.740 7.740 7.360 0.380 19286 4500 1 15 . 1 1 79 79 ASN N N 79 116.230 116.230 118.878 -2.648 19286 4501 1 15 . 1 1 79 79 ASN H H 79 8.030 8.030 7.679 0.351 19286 4502 1 15 . 1 1 80 80 VAL N N 80 121.200 121.200 114.174 7.026 19286 4503 1 15 . 1 1 80 80 VAL H H 80 8.200 8.200 7.425 0.775 19286 4504 1 15 . 1 1 82 82 PHE N N 82 113.440 113.440 118.631 -5.191 19286 4505 1 15 . 1 1 82 82 PHE HA H 82 5.690 5.690 5.133 0.557 19286 4506 1 15 . 1 1 82 82 PHE CA C 82 55.480 55.480 56.034 -0.554 19286 4507 1 15 . 1 1 82 82 PHE CB C 82 43.610 43.610 39.979 3.631 19286 4508 1 15 . 1 1 82 82 PHE H H 82 7.310 7.310 8.034 -0.724 19286 4509 1 15 . 1 1 83 83 ILE N N 83 115.230 115.230 117.729 -2.499 19286 4510 1 15 . 1 1 83 83 ILE HA H 83 4.260 4.260 3.642 0.618 19286 4511 1 15 . 1 1 83 83 ILE CA C 83 59.690 59.690 59.829 -0.139 19286 4512 1 15 . 1 1 83 83 ILE H H 83 7.880 7.880 7.974 -0.094 19286 4513 1 15 . 1 1 84 84 PHE N N 84 122.680 122.680 121.302 1.378 19286 4514 1 15 . 1 1 84 84 PHE HA H 84 6.190 6.190 4.584 1.606 19286 4515 1 15 . 1 1 84 84 PHE CA C 84 55.470 55.470 56.838 -1.368 19286 4516 1 15 . 1 1 84 84 PHE H H 84 8.360 8.360 8.175 0.185 19286 4517 1 15 . 1 1 85 85 ALA N N 85 123.760 123.760 125.289 -1.529 19286 4518 1 15 . 1 1 85 85 ALA HA H 85 5.540 5.540 5.172 0.368 19286 4519 1 15 . 1 1 85 85 ALA CA C 85 50.940 50.940 51.678 -0.739 19286 4520 1 15 . 1 1 85 85 ALA H H 85 8.570 8.570 8.012 0.558 19286 4521 1 15 . 1 1 86 86 THR N N 86 114.260 114.260 115.734 -1.474 19286 4522 1 15 . 1 1 86 86 THR HA H 86 4.290 4.290 4.602 -0.312 19286 4523 1 15 . 1 1 86 86 THR CA C 86 56.720 56.720 59.485 -2.765 19286 4524 1 15 . 1 1 86 86 THR CB C 86 69.610 69.610 71.432 -1.822 19286 4525 1 15 . 1 1 86 86 THR H H 86 8.640 8.640 8.273 0.367 19286 4526 1 15 . 1 1 87 87 GLY N N 87 112.830 112.830 109.403 3.427 19286 4527 1 15 . 1 1 87 87 GLY H H 87 8.590 8.590 8.523 0.067 19286 4528 1 15 . 1 1 89 89 GLY N N 89 111.750 111.750 109.586 2.164 19286 4529 1 15 . 1 1 89 89 GLY H H 89 8.300 8.300 8.459 -0.159 19286 4530 1 15 . 1 1 90 90 SER CA C 90 57.970 57.970 60.118 -2.148 19286 4531 1 15 . 1 1 90 90 SER H H 90 4.990 4.990 7.928 -2.938 19286 4532 1 15 . 1 1 91 91 LYS N N 91 122.950 122.950 123.532 -0.582 19286 4533 1 15 . 1 1 91 91 LYS H H 91 8.180 8.180 8.657 -0.477 19286 4534 1 15 . 1 1 92 92 GLY N N 92 109.390 109.390 106.505 2.885 19286 4535 1 15 . 1 1 92 92 GLY H H 92 8.320 8.320 8.237 0.083 19286 4536 1 15 . 1 1 93 93 LEU N N 93 121.760 121.760 117.374 4.386 19286 4537 1 15 . 1 1 93 93 LEU CB C 93 42.970 42.970 42.525 0.445 19286 4538 1 15 . 1 1 93 93 LEU H H 93 7.910 7.910 7.533 0.377 19286 4539 1 15 . 1 1 94 94 ASP N N 94 122.710 122.710 119.239 3.471 19286 4540 1 15 . 1 1 94 94 ASP H H 94 7.650 7.650 8.578 -0.928 19286 4541 1 15 . 1 1 95 95 THR N N 95 117.650 117.650 112.275 5.375 19286 4542 1 15 . 1 1 95 95 THR H H 95 8.210 8.210 8.088 0.122 19286 4543 1 15 . 1 1 96 96 ARG N N 96 122.360 122.360 120.556 1.804 19286 4544 1 15 . 1 1 96 96 ARG H H 96 8.700 8.700 8.991 -0.291 19286 4545 1 15 . 1 1 97 97 TYR N N 97 117.080 117.080 117.345 -0.265 19286 4546 1 15 . 1 1 97 97 TYR CB C 97 39.220 39.220 38.420 0.800 19286 4547 1 15 . 1 1 97 97 TYR H H 97 8.000 8.000 7.788 0.212 19286 4548 1 15 . 1 1 98 98 SER N N 98 114.730 114.730 113.543 1.187 19286 4549 1 15 . 1 1 98 98 SER H H 98 7.580 7.580 7.867 -0.287 19286 4550 1 15 . 1 1 99 99 ASN N N 99 117.230 117.230 116.280 0.950 19286 4551 1 15 . 1 1 99 99 ASN H H 99 8.600 8.600 8.329 0.271 19286 4552 1 15 . 1 1 100 100 ILE N N 100 124.250 124.250 117.422 6.828 19286 4553 1 15 . 1 1 100 100 ILE H H 100 7.520 7.520 7.922 -0.402 19286 4554 1 15 . 1 1 102 102 LEU N N 102 121.060 121.060 119.589 1.471 19286 4555 1 15 . 1 1 102 102 LEU H H 102 7.870 7.870 7.496 0.374 19286 4556 1 15 . 1 1 103 103 LEU N N 103 126.970 126.970 120.264 6.706 19286 4557 1 15 . 1 1 103 103 LEU HA H 103 4.620 4.620 4.659 -0.039 19286 4558 1 15 . 1 1 103 103 LEU CA C 103 54.690 54.690 54.659 0.031 19286 4559 1 15 . 1 1 103 103 LEU H H 103 9.080 9.080 7.905 1.175 19286 4560 1 15 . 1 1 104 104 THR N N 104 118.430 118.430 114.742 3.688 19286 4561 1 15 . 1 1 104 104 THR HA H 104 4.760 4.760 4.318 0.442 19286 4562 1 15 . 1 1 104 104 THR CA C 104 63.440 63.440 60.384 3.056 19286 4563 1 15 . 1 1 104 104 THR H H 104 8.430 8.430 8.181 0.248 19286 4564 1 15 . 1 1 105 105 LYS N N 105 122.030 122.030 119.525 2.505 19286 4565 1 15 . 1 1 105 105 LYS HA H 105 4.290 4.290 3.767 0.523 19286 4566 1 15 . 1 1 105 105 LYS CA C 105 54.690 54.690 56.804 -2.114 19286 4567 1 15 . 1 1 105 105 LYS H H 105 8.170 8.170 8.299 -0.129 19286 4568 1 15 . 1 1 107 107 PHE N N 107 118.490 118.490 117.118 1.372 19286 4569 1 15 . 1 1 107 107 PHE H H 107 7.470 7.470 7.221 0.249 19286 4570 1 15 . 1 1 109 109 ASP N N 109 124.810 124.810 117.428 7.382 19286 4571 1 15 . 1 1 109 109 ASP HA H 109 4.710 4.710 4.357 0.353 19286 4572 1 15 . 1 1 109 109 ASP H H 109 9.130 9.130 8.786 0.344 19286 4573 1 15 . 1 1 110 110 SER HA H 110 4.270 4.270 4.299 -0.029 19286 4574 1 15 . 1 1 110 110 SER CA C 110 59.690 59.690 58.467 1.223 19286 4575 1 15 . 1 1 111 111 GLU N N 111 123.780 123.780 120.807 2.973 19286 4576 1 15 . 1 1 111 111 GLU HA H 111 4.060 4.060 3.947 0.113 19286 4577 1 15 . 1 1 111 111 GLU CA C 111 58.440 58.440 59.697 -1.257 19286 4578 1 15 . 1 1 111 111 GLU H H 111 7.410 7.410 8.488 -1.078 19286 4579 1 15 . 1 1 112 112 LEU N N 112 120.180 120.180 118.613 1.567 19286 4580 1 15 . 1 1 112 112 LEU HA H 112 3.900 3.900 3.876 0.024 19286 4581 1 15 . 1 1 112 112 LEU CA C 112 58.440 58.440 58.056 0.384 19286 4582 1 15 . 1 1 112 112 LEU H H 112 7.670 7.670 7.982 -0.312 19286 4583 1 15 . 1 1 113 113 GLU N N 113 118.380 118.380 118.418 -0.038 19286 4584 1 15 . 1 1 113 113 GLU HA H 113 3.730 3.730 4.021 -0.291 19286 4585 1 15 . 1 1 113 113 GLU CA C 113 60.940 60.940 59.353 1.587 19286 4586 1 15 . 1 1 113 113 GLU H H 113 8.530 8.530 8.369 0.161 19286 4587 1 15 . 1 1 114 114 ALA N N 114 117.790 117.790 120.927 -3.137 19286 4588 1 15 . 1 1 114 114 ALA HA H 114 4.140 4.140 4.276 -0.136 19286 4589 1 15 . 1 1 114 114 ALA CA C 114 55.540 55.540 54.608 0.932 19286 4590 1 15 . 1 1 114 114 ALA CB C 114 18.440 18.440 18.766 -0.326 19286 4591 1 15 . 1 1 114 114 ALA H H 114 7.480 7.480 8.118 -0.638 19286 4592 1 15 . 1 1 115 115 VAL N N 115 116.000 116.000 114.598 1.402 19286 4593 1 15 . 1 1 115 115 VAL HA H 115 4.030 4.030 4.061 -0.031 19286 4594 1 15 . 1 1 115 115 VAL CA C 115 65.940 65.940 64.590 1.350 19286 4595 1 15 . 1 1 115 115 VAL H H 115 7.540 7.540 7.813 -0.273 19286 4596 1 15 . 1 1 116 116 LEU HA H 116 4.280 4.280 4.368 -0.088 19286 4597 1 15 . 1 1 116 116 LEU CA C 116 57.570 57.570 57.526 0.044 19286 4598 1 15 . 1 1 117 117 VAL N N 117 119.140 119.140 118.573 0.567 19286 4599 1 15 . 1 1 117 117 VAL H H 117 8.200 8.200 7.652 0.548 19286 4600 1 15 . 1 1 120 120 SER N N 120 115.730 115.730 115.117 0.613 19286 4601 1 15 . 1 1 120 120 SER H H 120 7.780 7.780 7.571 0.209 19286 4602 1 15 . 1 1 121 121 LYS N N 121 120.870 120.870 121.337 -0.467 19286 4603 1 15 . 1 1 121 121 LYS H H 121 7.540 7.540 8.220 -0.680 19286 4604 1 15 . 1 1 122 122 GLU N N 122 120.160 120.160 119.553 0.607 19286 4605 1 15 . 1 1 122 122 GLU H H 122 8.140 8.140 8.383 -0.243 19286 4606 1 16 . 1 1 4 4 MET N N 4 121.520 121.520 118.996 2.524 19286 4607 1 16 . 1 1 4 4 MET H H 4 8.450 8.450 8.709 -0.259 19286 4608 1 16 . 1 1 5 5 THR N N 5 115.270 115.270 111.954 3.316 19286 4609 1 16 . 1 1 5 5 THR H H 5 8.090 8.090 7.958 0.132 19286 4610 1 16 . 1 1 6 6 GLU N N 6 123.580 123.580 120.162 3.418 19286 4611 1 16 . 1 1 6 6 GLU H H 6 8.430 8.430 8.498 -0.068 19286 4612 1 16 . 1 1 7 7 ARG N N 7 120.850 120.850 117.812 3.038 19286 4613 1 16 . 1 1 7 7 ARG H H 7 8.030 8.030 7.946 0.084 19286 4614 1 16 . 1 1 8 8 ARG N N 8 125.410 125.410 119.579 5.831 19286 4615 1 16 . 1 1 8 8 ARG HA H 8 4.370 4.370 4.167 0.203 19286 4616 1 16 . 1 1 8 8 ARG H H 8 8.310 8.310 8.208 0.102 19286 4617 1 16 . 1 1 9 9 LEU N N 9 130.330 130.330 112.372 17.958 19286 4618 1 16 . 1 1 9 9 LEU HA H 9 4.610 4.610 4.852 -0.242 19286 4619 1 16 . 1 1 9 9 LEU H H 9 11.100 11.100 7.563 3.537 19286 4620 1 16 . 1 1 10 10 ARG N N 10 121.420 121.420 122.131 -0.711 19286 4621 1 16 . 1 1 10 10 ARG HA H 10 5.010 5.010 4.424 0.586 19286 4622 1 16 . 1 1 10 10 ARG CA C 10 55.940 55.940 55.001 0.939 19286 4623 1 16 . 1 1 10 10 ARG H H 10 9.620 9.620 8.460 1.160 19286 4624 1 16 . 1 1 11 11 VAL N N 11 125.110 125.110 122.404 2.706 19286 4625 1 16 . 1 1 11 11 VAL HA H 11 4.970 4.970 4.319 0.651 19286 4626 1 16 . 1 1 11 11 VAL H H 11 9.210 9.210 8.310 0.900 19286 4627 1 16 . 1 1 12 12 LEU N N 12 130.050 130.050 130.435 -0.385 19286 4628 1 16 . 1 1 12 12 LEU HA H 12 4.780 4.780 4.717 0.063 19286 4629 1 16 . 1 1 12 12 LEU H H 12 8.260 8.260 8.444 -0.184 19286 4630 1 16 . 1 1 13 13 VAL N N 13 128.060 128.060 119.742 8.318 19286 4631 1 16 . 1 1 13 13 VAL HA H 13 4.610 4.610 4.423 0.187 19286 4632 1 16 . 1 1 13 13 VAL H H 13 8.330 8.330 7.819 0.511 19286 4633 1 16 . 1 1 14 14 VAL N N 14 128.470 128.470 122.865 5.605 19286 4634 1 16 . 1 1 14 14 VAL HA H 14 4.700 4.700 4.500 0.200 19286 4635 1 16 . 1 1 14 14 VAL H H 14 8.840 8.840 8.959 -0.119 19286 4636 1 16 . 1 1 15 15 GLU N N 15 124.840 124.840 121.631 3.209 19286 4637 1 16 . 1 1 15 15 GLU HA H 15 4.620 4.620 4.452 0.168 19286 4638 1 16 . 1 1 15 15 GLU H H 15 7.950 7.950 8.328 -0.378 19286 4639 1 16 . 1 1 16 16 ASP N N 16 125.840 125.840 119.657 6.183 19286 4640 1 16 . 1 1 16 16 ASP HA H 16 4.540 4.540 4.545 -0.005 19286 4641 1 16 . 1 1 16 16 ASP H H 16 9.360 9.360 8.532 0.828 19286 4642 1 16 . 1 1 17 17 GLU HA H 17 4.290 4.290 4.328 -0.038 19286 4643 1 16 . 1 1 17 17 GLU CA C 17 55.540 55.540 56.441 -0.901 19286 4644 1 16 . 1 1 18 18 SER N N 18 124.990 124.990 116.188 8.802 19286 4645 1 16 . 1 1 18 18 SER HA H 18 4.610 4.610 4.492 0.118 19286 4646 1 16 . 1 1 18 18 SER H H 18 8.820 8.820 8.684 0.136 19286 4647 1 16 . 1 1 19 19 MET N N 19 119.940 119.940 120.663 -0.723 19286 4648 1 16 . 1 1 19 19 MET H H 19 9.030 9.030 8.325 0.705 19286 4649 1 16 . 1 1 20 20 ILE N N 20 118.700 118.700 116.508 2.192 19286 4650 1 16 . 1 1 20 20 ILE H H 20 7.200 7.200 7.661 -0.461 19286 4651 1 16 . 1 1 21 21 ALA N N 21 123.500 123.500 124.711 -1.211 19286 4652 1 16 . 1 1 21 21 ALA CB C 21 18.860 18.860 18.951 -0.091 19286 4653 1 16 . 1 1 21 21 ALA H H 21 8.370 8.370 8.286 0.084 19286 4654 1 16 . 1 1 22 22 MET N N 22 115.790 115.790 119.677 -3.887 19286 4655 1 16 . 1 1 22 22 MET HA H 22 4.160 4.160 4.223 -0.063 19286 4656 1 16 . 1 1 22 22 MET CA C 22 58.440 58.440 58.273 0.167 19286 4657 1 16 . 1 1 22 22 MET H H 22 8.090 8.090 8.265 -0.175 19286 4658 1 16 . 1 1 23 23 LEU N N 23 120.400 120.400 118.758 1.642 19286 4659 1 16 . 1 1 23 23 LEU H H 23 7.490 7.490 7.847 -0.357 19286 4660 1 16 . 1 1 24 24 ILE N N 24 120.840 120.840 120.127 0.713 19286 4661 1 16 . 1 1 24 24 ILE HA H 24 3.520 3.520 3.853 -0.333 19286 4662 1 16 . 1 1 24 24 ILE CA C 24 67.190 67.190 64.136 3.054 19286 4663 1 16 . 1 1 24 24 ILE CB C 24 38.440 38.440 39.075 -0.636 19286 4664 1 16 . 1 1 24 24 ILE H H 24 8.630 8.630 8.735 -0.105 19286 4665 1 16 . 1 1 25 25 GLU N N 25 119.380 119.380 120.052 -0.672 19286 4666 1 16 . 1 1 25 25 GLU H H 25 8.550 8.550 7.905 0.645 19286 4667 1 16 . 1 1 26 26 ASP N N 26 119.700 119.700 116.671 3.029 19286 4668 1 16 . 1 1 26 26 ASP H H 26 8.890 8.890 7.766 1.124 19286 4669 1 16 . 1 1 27 27 THR N N 27 117.460 117.460 117.477 -0.017 19286 4670 1 16 . 1 1 27 27 THR HA H 27 4.270 4.270 4.063 0.207 19286 4671 1 16 . 1 1 27 27 THR CA C 27 68.890 68.890 65.891 2.999 19286 4672 1 16 . 1 1 27 27 THR H H 27 8.100 8.100 7.450 0.650 19286 4673 1 16 . 1 1 28 28 LEU N N 28 120.440 120.440 123.487 -3.047 19286 4674 1 16 . 1 1 28 28 LEU HA H 28 3.920 3.920 4.186 -0.266 19286 4675 1 16 . 1 1 28 28 LEU CA C 28 58.440 58.440 58.159 0.281 19286 4676 1 16 . 1 1 28 28 LEU H H 28 8.610 8.610 8.947 -0.337 19286 4677 1 16 . 1 1 29 29 CYS N N 29 116.920 116.920 116.501 0.419 19286 4678 1 16 . 1 1 29 29 CYS H H 29 8.180 8.180 7.842 0.338 19286 4679 1 16 . 1 1 30 30 GLU N N 30 122.820 122.820 120.395 2.425 19286 4680 1 16 . 1 1 30 30 GLU HA H 30 4.160 4.160 4.146 0.014 19286 4681 1 16 . 1 1 30 30 GLU CA C 30 59.690 59.690 58.477 1.213 19286 4682 1 16 . 1 1 30 30 GLU H H 30 8.060 8.060 7.604 0.456 19286 4683 1 16 . 1 1 31 31 LEU N N 31 116.980 116.980 117.810 -0.830 19286 4684 1 16 . 1 1 31 31 LEU H H 31 7.660 7.660 7.474 0.186 19286 4685 1 16 . 1 1 32 32 GLY N N 32 105.410 105.410 105.131 0.279 19286 4686 1 16 . 1 1 32 32 GLY H H 32 7.600 7.600 8.368 -0.768 19286 4687 1 16 . 1 1 33 33 HIS N N 33 119.380 119.380 117.969 1.411 19286 4688 1 16 . 1 1 33 33 HIS HA H 33 5.130 5.130 4.169 0.961 19286 4689 1 16 . 1 1 33 33 HIS CA C 33 56.350 56.350 57.561 -1.211 19286 4690 1 16 . 1 1 33 33 HIS CB C 33 33.470 33.470 30.131 3.338 19286 4691 1 16 . 1 1 33 33 HIS H H 33 7.780 7.780 7.605 0.175 19286 4692 1 16 . 1 1 34 34 GLU N N 34 117.930 117.930 121.361 -3.431 19286 4693 1 16 . 1 1 34 34 GLU H H 34 8.870 8.870 8.147 0.723 19286 4694 1 16 . 1 1 35 35 VAL N N 35 125.860 125.860 118.616 7.244 19286 4695 1 16 . 1 1 35 35 VAL HA H 35 4.710 4.710 4.212 0.498 19286 4696 1 16 . 1 1 35 35 VAL H H 35 8.870 8.870 8.240 0.630 19286 4697 1 16 . 1 1 36 36 ALA N N 36 132.950 132.950 129.048 3.902 19286 4698 1 16 . 1 1 36 36 ALA HA H 36 4.200 4.200 4.480 -0.280 19286 4699 1 16 . 1 1 36 36 ALA CB C 36 23.860 23.860 19.877 3.983 19286 4700 1 16 . 1 1 36 36 ALA H H 36 9.110 9.110 8.234 0.876 19286 4701 1 16 . 1 1 37 37 ALA N N 37 115.420 115.420 121.300 -5.880 19286 4702 1 16 . 1 1 37 37 ALA H H 37 7.480 7.480 7.904 -0.424 19286 4703 1 16 . 1 1 38 38 THR N N 38 112.980 112.980 112.398 0.582 19286 4704 1 16 . 1 1 38 38 THR H H 38 8.170 8.170 8.363 -0.193 19286 4705 1 16 . 1 1 39 39 ALA CB C 39 22.610 22.610 18.860 3.751 19286 4706 1 16 . 1 1 40 40 SER N N 40 113.630 113.630 116.682 -3.052 19286 4707 1 16 . 1 1 40 40 SER HA H 40 4.450 4.450 4.542 -0.092 19286 4708 1 16 . 1 1 40 40 SER CA C 40 57.480 57.480 58.490 -1.010 19286 4709 1 16 . 1 1 40 40 SER H H 40 8.980 8.980 8.573 0.407 19286 4710 1 16 . 1 1 41 41 ARG N N 41 117.890 117.890 127.867 -9.977 19286 4711 1 16 . 1 1 41 41 ARG CB C 41 34.110 34.110 32.306 1.804 19286 4712 1 16 . 1 1 41 41 ARG H H 41 7.340 7.340 8.196 -0.856 19286 4713 1 16 . 1 1 42 42 MET N N 42 123.460 123.460 125.254 -1.794 19286 4714 1 16 . 1 1 42 42 MET HA H 42 4.040 4.040 3.578 0.462 19286 4715 1 16 . 1 1 42 42 MET H H 42 9.340 9.340 8.931 0.409 19286 4716 1 16 . 1 1 43 43 GLN N N 43 117.010 117.010 120.039 -3.029 19286 4717 1 16 . 1 1 43 43 GLN H H 43 8.940 8.940 8.606 0.334 19286 4718 1 16 . 1 1 44 44 GLU N N 44 117.430 117.430 119.565 -2.135 19286 4719 1 16 . 1 1 44 44 GLU CB C 44 26.690 26.690 29.243 -2.553 19286 4720 1 16 . 1 1 44 44 GLU H H 44 7.160 7.160 8.587 -1.427 19286 4721 1 16 . 1 1 45 45 ALA N N 45 121.060 121.060 121.845 -0.785 19286 4722 1 16 . 1 1 45 45 ALA HA H 45 3.680 3.680 3.973 -0.293 19286 4723 1 16 . 1 1 45 45 ALA CA C 45 55.940 55.940 55.269 0.671 19286 4724 1 16 . 1 1 45 45 ALA CB C 45 20.940 20.940 18.391 2.549 19286 4725 1 16 . 1 1 45 45 ALA H H 45 8.220 8.220 8.363 -0.143 19286 4726 1 16 . 1 1 46 46 LEU N N 46 116.750 116.750 118.132 -1.382 19286 4727 1 16 . 1 1 46 46 LEU H H 46 8.350 8.350 7.529 0.821 19286 4728 1 16 . 1 1 47 47 ASP N N 47 117.760 117.760 117.372 0.388 19286 4729 1 16 . 1 1 47 47 ASP H H 47 7.400 7.400 7.821 -0.421 19286 4730 1 16 . 1 1 48 48 ILE N N 48 118.660 118.660 113.224 5.436 19286 4731 1 16 . 1 1 48 48 ILE H H 48 8.220 8.220 7.450 0.770 19286 4732 1 16 . 1 1 49 49 ALA N N 49 123.150 123.150 123.088 0.062 19286 4733 1 16 . 1 1 49 49 ALA HA H 49 4.040 4.040 4.069 -0.029 19286 4734 1 16 . 1 1 49 49 ALA CA C 49 55.940 55.940 54.027 1.913 19286 4735 1 16 . 1 1 49 49 ALA CB C 49 18.120 18.120 19.240 -1.120 19286 4736 1 16 . 1 1 49 49 ALA H H 49 8.610 8.610 7.835 0.775 19286 4737 1 16 . 1 1 50 50 ARG N N 50 113.110 113.110 119.559 -6.449 19286 4738 1 16 . 1 1 50 50 ARG CB C 50 26.570 26.570 30.003 -3.433 19286 4739 1 16 . 1 1 50 50 ARG H H 50 7.440 7.440 7.933 -0.493 19286 4740 1 16 . 1 1 51 51 LYS N N 51 114.910 114.910 117.882 -2.972 19286 4741 1 16 . 1 1 51 51 LYS H H 51 7.550 7.550 7.527 0.023 19286 4742 1 16 . 1 1 52 52 GLY N N 52 108.150 108.150 107.462 0.688 19286 4743 1 16 . 1 1 52 52 GLY H H 52 8.920 8.920 8.163 0.757 19286 4744 1 16 . 1 1 53 53 GLN N N 53 120.450 120.450 120.003 0.447 19286 4745 1 16 . 1 1 53 53 GLN H H 53 8.320 8.320 8.631 -0.311 19286 4746 1 16 . 1 1 54 54 PHE N N 54 119.090 119.090 119.110 -0.020 19286 4747 1 16 . 1 1 54 54 PHE H H 54 7.180 7.180 8.086 -0.906 19286 4748 1 16 . 1 1 55 55 ASP N N 55 117.290 117.290 118.964 -1.674 19286 4749 1 16 . 1 1 55 55 ASP H H 55 9.330 9.330 8.588 0.742 19286 4750 1 16 . 1 1 56 56 ILE N N 56 109.550 109.550 116.686 -7.136 19286 4751 1 16 . 1 1 56 56 ILE HA H 56 5.220 5.220 4.482 0.738 19286 4752 1 16 . 1 1 56 56 ILE CA C 56 59.690 59.690 60.341 -0.651 19286 4753 1 16 . 1 1 56 56 ILE H H 56 7.690 7.690 7.651 0.039 19286 4754 1 16 . 1 1 57 57 ALA N N 57 122.390 122.390 125.881 -3.491 19286 4755 1 16 . 1 1 57 57 ALA HA H 57 5.480 5.480 5.536 -0.056 19286 4756 1 16 . 1 1 57 57 ALA CA C 57 50.940 50.940 51.443 -0.503 19286 4757 1 16 . 1 1 57 57 ALA H H 57 8.000 8.000 8.364 -0.364 19286 4758 1 16 . 1 1 59 59 ILE N N 59 122.950 122.950 128.233 -5.283 19286 4759 1 16 . 1 1 59 59 ILE HA H 59 4.990 4.990 4.282 0.708 19286 4760 1 16 . 1 1 59 59 ILE CA C 59 57.190 57.190 59.826 -2.636 19286 4761 1 16 . 1 1 59 59 ILE H H 59 8.930 8.930 7.707 1.223 19286 4762 1 16 . 1 1 60 60 ASP N N 60 127.320 127.320 121.754 5.566 19286 4763 1 16 . 1 1 60 60 ASP HA H 60 5.100 5.100 4.484 0.616 19286 4764 1 16 . 1 1 60 60 ASP CA C 60 55.100 55.100 54.476 0.624 19286 4765 1 16 . 1 1 60 60 ASP H H 60 8.360 8.360 7.258 1.102 19286 4766 1 16 . 1 1 61 61 VAL N N 61 121.040 121.040 117.047 3.993 19286 4767 1 16 . 1 1 61 61 VAL HA H 61 3.700 3.700 3.711 -0.011 19286 4768 1 16 . 1 1 61 61 VAL CA C 61 64.630 64.630 63.706 0.924 19286 4769 1 16 . 1 1 61 61 VAL CB C 61 31.590 31.590 31.903 -0.313 19286 4770 1 16 . 1 1 61 61 VAL H H 61 8.540 8.540 8.513 0.027 19286 4771 1 16 . 1 1 63 63 LEU N N 63 121.830 121.830 120.374 1.456 19286 4772 1 16 . 1 1 63 63 LEU HA H 63 4.400 4.400 4.576 -0.176 19286 4773 1 16 . 1 1 63 63 LEU CA C 63 52.810 52.810 53.675 -0.865 19286 4774 1 16 . 1 1 63 63 LEU H H 63 8.960 8.960 7.564 1.397 19286 4775 1 16 . 1 1 64 64 ASP N N 64 128.450 128.450 120.753 7.697 19286 4776 1 16 . 1 1 64 64 ASP HA H 64 4.290 4.290 4.341 -0.051 19286 4777 1 16 . 1 1 64 64 ASP CA C 64 55.940 55.940 55.387 0.553 19286 4778 1 16 . 1 1 64 64 ASP CB C 64 40.390 40.390 40.217 0.173 19286 4779 1 16 . 1 1 64 64 ASP H H 64 9.840 9.840 8.978 0.862 19286 4780 1 16 . 1 1 65 65 GLY N N 65 133.580 133.580 103.548 30.032 19286 4781 1 16 . 1 1 65 65 GLY H H 65 8.400 8.400 7.891 0.509 19286 4782 1 16 . 1 1 66 66 GLU N N 66 121.110 121.110 120.806 0.304 19286 4783 1 16 . 1 1 66 66 GLU HA H 66 4.920 4.920 4.047 0.873 19286 4784 1 16 . 1 1 66 66 GLU CA C 66 53.100 53.100 56.165 -3.065 19286 4785 1 16 . 1 1 66 66 GLU H H 66 7.790 7.790 7.756 0.034 19286 4786 1 16 . 1 1 69 69 TYR N N 69 120.020 120.020 116.670 3.350 19286 4787 1 16 . 1 1 69 69 TYR HA H 69 4.410 4.410 4.192 0.218 19286 4788 1 16 . 1 1 69 69 TYR CA C 69 60.970 60.970 57.146 3.824 19286 4789 1 16 . 1 1 69 69 TYR H H 69 6.480 6.480 7.523 -1.043 19286 4790 1 16 . 1 1 71 71 VAL N N 71 115.000 115.000 117.004 -2.004 19286 4791 1 16 . 1 1 71 71 VAL H H 71 7.640 7.640 7.509 0.131 19286 4792 1 16 . 1 1 72 72 ALA N N 72 122.000 122.000 123.644 -1.644 19286 4793 1 16 . 1 1 72 72 ALA CB C 72 20.110 20.110 17.944 2.166 19286 4794 1 16 . 1 1 72 72 ALA H H 72 6.890 6.890 8.005 -1.115 19286 4795 1 16 . 1 1 73 73 ASP N N 73 116.020 116.020 118.087 -2.067 19286 4796 1 16 . 1 1 73 73 ASP H H 73 8.610 8.610 7.598 1.012 19286 4797 1 16 . 1 1 74 74 ILE N N 74 120.950 120.950 121.269 -0.319 19286 4798 1 16 . 1 1 74 74 ILE H H 74 7.060 7.060 7.384 -0.324 19286 4799 1 16 . 1 1 75 75 LEU N N 75 119.760 119.760 119.374 0.386 19286 4800 1 16 . 1 1 75 75 LEU H H 75 7.460 7.460 8.715 -1.255 19286 4801 1 16 . 1 1 76 76 ALA N N 76 121.160 121.160 119.704 1.456 19286 4802 1 16 . 1 1 76 76 ALA H H 76 8.910 8.910 8.123 0.787 19286 4803 1 16 . 1 1 77 77 GLU N N 77 120.340 120.340 117.612 2.728 19286 4804 1 16 . 1 1 77 77 GLU H H 77 7.800 7.800 8.009 -0.209 19286 4805 1 16 . 1 1 78 78 ARG N N 78 116.210 116.210 115.275 0.935 19286 4806 1 16 . 1 1 78 78 ARG H H 78 7.740 7.740 7.390 0.350 19286 4807 1 16 . 1 1 79 79 ASN N N 79 116.230 116.230 119.082 -2.852 19286 4808 1 16 . 1 1 79 79 ASN H H 79 8.030 8.030 8.358 -0.328 19286 4809 1 16 . 1 1 80 80 VAL N N 80 121.200 121.200 115.626 5.574 19286 4810 1 16 . 1 1 80 80 VAL H H 80 8.200 8.200 7.395 0.805 19286 4811 1 16 . 1 1 82 82 PHE N N 82 113.440 113.440 119.212 -5.772 19286 4812 1 16 . 1 1 82 82 PHE HA H 82 5.690 5.690 4.978 0.712 19286 4813 1 16 . 1 1 82 82 PHE CA C 82 55.480 55.480 55.214 0.266 19286 4814 1 16 . 1 1 82 82 PHE CB C 82 43.610 43.610 40.226 3.384 19286 4815 1 16 . 1 1 82 82 PHE H H 82 7.310 7.310 7.917 -0.607 19286 4816 1 16 . 1 1 83 83 ILE N N 83 115.230 115.230 118.849 -3.619 19286 4817 1 16 . 1 1 83 83 ILE HA H 83 4.260 4.260 3.732 0.528 19286 4818 1 16 . 1 1 83 83 ILE CA C 83 59.690 59.690 61.443 -1.753 19286 4819 1 16 . 1 1 83 83 ILE H H 83 7.880 7.880 7.503 0.377 19286 4820 1 16 . 1 1 84 84 PHE N N 84 122.680 122.680 122.846 -0.166 19286 4821 1 16 . 1 1 84 84 PHE HA H 84 6.190 6.190 4.922 1.268 19286 4822 1 16 . 1 1 84 84 PHE CA C 84 55.470 55.470 56.885 -1.415 19286 4823 1 16 . 1 1 84 84 PHE H H 84 8.360 8.360 7.981 0.379 19286 4824 1 16 . 1 1 85 85 ALA N N 85 123.760 123.760 122.370 1.390 19286 4825 1 16 . 1 1 85 85 ALA HA H 85 5.540 5.540 5.372 0.168 19286 4826 1 16 . 1 1 85 85 ALA CA C 85 50.940 50.940 51.503 -0.563 19286 4827 1 16 . 1 1 85 85 ALA H H 85 8.570 8.570 7.765 0.805 19286 4828 1 16 . 1 1 86 86 THR N N 86 114.260 114.260 113.814 0.446 19286 4829 1 16 . 1 1 86 86 THR HA H 86 4.290 4.290 4.349 -0.059 19286 4830 1 16 . 1 1 86 86 THR CA C 86 56.720 56.720 61.326 -4.606 19286 4831 1 16 . 1 1 86 86 THR CB C 86 69.610 69.610 69.049 0.561 19286 4832 1 16 . 1 1 86 86 THR H H 86 8.640 8.640 8.468 0.172 19286 4833 1 16 . 1 1 87 87 GLY N N 87 112.830 112.830 110.057 2.773 19286 4834 1 16 . 1 1 87 87 GLY H H 87 8.590 8.590 8.542 0.048 19286 4835 1 16 . 1 1 89 89 GLY N N 89 111.750 111.750 110.521 1.229 19286 4836 1 16 . 1 1 89 89 GLY H H 89 8.300 8.300 7.160 1.140 19286 4837 1 16 . 1 1 90 90 SER CA C 90 57.970 57.970 61.025 -3.055 19286 4838 1 16 . 1 1 90 90 SER H H 90 4.990 4.990 8.675 -3.685 19286 4839 1 16 . 1 1 91 91 LYS N N 91 122.950 122.950 118.846 4.104 19286 4840 1 16 . 1 1 91 91 LYS H H 91 8.180 8.180 8.170 0.010 19286 4841 1 16 . 1 1 92 92 GLY N N 92 109.390 109.390 106.991 2.399 19286 4842 1 16 . 1 1 92 92 GLY H H 92 8.320 8.320 8.468 -0.148 19286 4843 1 16 . 1 1 93 93 LEU N N 93 121.760 121.760 123.332 -1.572 19286 4844 1 16 . 1 1 93 93 LEU CB C 93 42.970 42.970 42.859 0.111 19286 4845 1 16 . 1 1 93 93 LEU H H 93 7.910 7.910 7.938 -0.028 19286 4846 1 16 . 1 1 94 94 ASP N N 94 122.710 122.710 122.353 0.357 19286 4847 1 16 . 1 1 94 94 ASP H H 94 7.650 7.650 8.125 -0.475 19286 4848 1 16 . 1 1 95 95 THR N N 95 117.650 117.650 112.483 5.167 19286 4849 1 16 . 1 1 95 95 THR H H 95 8.210 8.210 8.043 0.167 19286 4850 1 16 . 1 1 96 96 ARG N N 96 122.360 122.360 119.228 3.132 19286 4851 1 16 . 1 1 96 96 ARG H H 96 8.700 8.700 8.887 -0.187 19286 4852 1 16 . 1 1 97 97 TYR N N 97 117.080 117.080 118.512 -1.432 19286 4853 1 16 . 1 1 97 97 TYR CB C 97 39.220 39.220 39.319 -0.098 19286 4854 1 16 . 1 1 97 97 TYR H H 97 8.000 8.000 7.688 0.312 19286 4855 1 16 . 1 1 98 98 SER N N 98 114.730 114.730 108.867 5.863 19286 4856 1 16 . 1 1 98 98 SER H H 98 7.580 7.580 8.688 -1.108 19286 4857 1 16 . 1 1 99 99 ASN N N 99 117.230 117.230 114.930 2.300 19286 4858 1 16 . 1 1 99 99 ASN H H 99 8.600 8.600 8.790 -0.190 19286 4859 1 16 . 1 1 100 100 ILE N N 100 124.250 124.250 110.206 14.044 19286 4860 1 16 . 1 1 100 100 ILE H H 100 7.520 7.520 8.033 -0.513 19286 4861 1 16 . 1 1 102 102 LEU N N 102 121.060 121.060 119.388 1.672 19286 4862 1 16 . 1 1 102 102 LEU H H 102 7.870 7.870 7.822 0.048 19286 4863 1 16 . 1 1 103 103 LEU N N 103 126.970 126.970 119.503 7.467 19286 4864 1 16 . 1 1 103 103 LEU HA H 103 4.620 4.620 4.755 -0.135 19286 4865 1 16 . 1 1 103 103 LEU CA C 103 54.690 54.690 54.704 -0.014 19286 4866 1 16 . 1 1 103 103 LEU H H 103 9.080 9.080 8.102 0.978 19286 4867 1 16 . 1 1 104 104 THR N N 104 118.430 118.430 113.463 4.967 19286 4868 1 16 . 1 1 104 104 THR HA H 104 4.760 4.760 4.398 0.362 19286 4869 1 16 . 1 1 104 104 THR CA C 104 63.440 63.440 60.405 3.035 19286 4870 1 16 . 1 1 104 104 THR H H 104 8.430 8.430 8.209 0.221 19286 4871 1 16 . 1 1 105 105 LYS N N 105 122.030 122.030 119.937 2.093 19286 4872 1 16 . 1 1 105 105 LYS HA H 105 4.290 4.290 4.123 0.167 19286 4873 1 16 . 1 1 105 105 LYS CA C 105 54.690 54.690 56.998 -2.308 19286 4874 1 16 . 1 1 105 105 LYS H H 105 8.170 8.170 8.385 -0.215 19286 4875 1 16 . 1 1 107 107 PHE N N 107 118.490 118.490 116.039 2.451 19286 4876 1 16 . 1 1 107 107 PHE H H 107 7.470 7.470 8.114 -0.644 19286 4877 1 16 . 1 1 109 109 ASP N N 109 124.810 124.810 117.094 7.716 19286 4878 1 16 . 1 1 109 109 ASP HA H 109 4.710 4.710 4.996 -0.286 19286 4879 1 16 . 1 1 109 109 ASP H H 109 9.130 9.130 8.777 0.353 19286 4880 1 16 . 1 1 110 110 SER HA H 110 4.270 4.270 4.275 -0.005 19286 4881 1 16 . 1 1 110 110 SER CA C 110 59.690 59.690 61.531 -1.841 19286 4882 1 16 . 1 1 111 111 GLU N N 111 123.780 123.780 119.898 3.882 19286 4883 1 16 . 1 1 111 111 GLU HA H 111 4.060 4.060 4.068 -0.008 19286 4884 1 16 . 1 1 111 111 GLU CA C 111 58.440 58.440 59.543 -1.103 19286 4885 1 16 . 1 1 111 111 GLU H H 111 7.410 7.410 8.742 -1.332 19286 4886 1 16 . 1 1 112 112 LEU N N 112 120.180 120.180 117.770 2.410 19286 4887 1 16 . 1 1 112 112 LEU HA H 112 3.900 3.900 3.890 0.010 19286 4888 1 16 . 1 1 112 112 LEU CA C 112 58.440 58.440 57.584 0.856 19286 4889 1 16 . 1 1 112 112 LEU H H 112 7.670 7.670 7.880 -0.210 19286 4890 1 16 . 1 1 113 113 GLU N N 113 118.380 118.380 119.686 -1.306 19286 4891 1 16 . 1 1 113 113 GLU HA H 113 3.730 3.730 3.847 -0.117 19286 4892 1 16 . 1 1 113 113 GLU CA C 113 60.940 60.940 59.634 1.306 19286 4893 1 16 . 1 1 113 113 GLU H H 113 8.530 8.530 8.319 0.211 19286 4894 1 16 . 1 1 114 114 ALA N N 114 117.790 117.790 120.793 -3.003 19286 4895 1 16 . 1 1 114 114 ALA HA H 114 4.140 4.140 4.080 0.060 19286 4896 1 16 . 1 1 114 114 ALA CA C 114 55.540 55.540 55.128 0.412 19286 4897 1 16 . 1 1 114 114 ALA CB C 114 18.440 18.440 18.897 -0.457 19286 4898 1 16 . 1 1 114 114 ALA H H 114 7.480 7.480 8.248 -0.768 19286 4899 1 16 . 1 1 115 115 VAL N N 115 116.000 116.000 115.246 0.754 19286 4900 1 16 . 1 1 115 115 VAL HA H 115 4.030 4.030 4.136 -0.106 19286 4901 1 16 . 1 1 115 115 VAL CA C 115 65.940 65.940 63.965 1.975 19286 4902 1 16 . 1 1 115 115 VAL H H 115 7.540 7.540 7.886 -0.346 19286 4903 1 16 . 1 1 116 116 LEU HA H 116 4.280 4.280 4.271 0.009 19286 4904 1 16 . 1 1 116 116 LEU CA C 116 57.570 57.570 57.456 0.113 19286 4905 1 16 . 1 1 117 117 VAL N N 117 119.140 119.140 114.630 4.510 19286 4906 1 16 . 1 1 117 117 VAL H H 117 8.200 8.200 8.528 -0.328 19286 4907 1 16 . 1 1 120 120 SER N N 120 115.730 115.730 117.024 -1.294 19286 4908 1 16 . 1 1 120 120 SER H H 120 7.780 7.780 8.015 -0.235 19286 4909 1 16 . 1 1 121 121 LYS N N 121 120.870 120.870 123.643 -2.773 19286 4910 1 16 . 1 1 121 121 LYS H H 121 7.540 7.540 7.954 -0.414 19286 4911 1 16 . 1 1 122 122 GLU N N 122 120.160 120.160 119.971 0.189 19286 4912 1 16 . 1 1 122 122 GLU H H 122 8.140 8.140 8.854 -0.714 19286 4913 1 17 . 1 1 4 4 MET N N 4 121.520 121.520 119.016 2.504 19286 4914 1 17 . 1 1 4 4 MET H H 4 8.450 8.450 7.978 0.472 19286 4915 1 17 . 1 1 5 5 THR N N 5 115.270 115.270 113.203 2.067 19286 4916 1 17 . 1 1 5 5 THR H H 5 8.090 8.090 7.751 0.339 19286 4917 1 17 . 1 1 6 6 GLU N N 6 123.580 123.580 118.827 4.753 19286 4918 1 17 . 1 1 6 6 GLU H H 6 8.430 8.430 8.589 -0.159 19286 4919 1 17 . 1 1 7 7 ARG N N 7 120.850 120.850 120.259 0.591 19286 4920 1 17 . 1 1 7 7 ARG H H 7 8.030 8.030 8.164 -0.134 19286 4921 1 17 . 1 1 8 8 ARG N N 8 125.410 125.410 119.025 6.385 19286 4922 1 17 . 1 1 8 8 ARG HA H 8 4.370 4.370 4.360 0.010 19286 4923 1 17 . 1 1 8 8 ARG H H 8 8.310 8.310 8.028 0.282 19286 4924 1 17 . 1 1 9 9 LEU N N 9 130.330 130.330 119.546 10.784 19286 4925 1 17 . 1 1 9 9 LEU HA H 9 4.610 4.610 4.093 0.517 19286 4926 1 17 . 1 1 9 9 LEU H H 9 11.100 11.100 7.328 3.772 19286 4927 1 17 . 1 1 10 10 ARG N N 10 121.420 121.420 115.510 5.910 19286 4928 1 17 . 1 1 10 10 ARG HA H 10 5.010 5.010 4.256 0.754 19286 4929 1 17 . 1 1 10 10 ARG CA C 10 55.940 55.940 54.107 1.833 19286 4930 1 17 . 1 1 10 10 ARG H H 10 9.620 9.620 8.854 0.765 19286 4931 1 17 . 1 1 11 11 VAL N N 11 125.110 125.110 117.565 7.545 19286 4932 1 17 . 1 1 11 11 VAL HA H 11 4.970 4.970 4.671 0.299 19286 4933 1 17 . 1 1 11 11 VAL H H 11 9.210 9.210 8.427 0.783 19286 4934 1 17 . 1 1 12 12 LEU N N 12 130.050 130.050 127.698 2.352 19286 4935 1 17 . 1 1 12 12 LEU HA H 12 4.780 4.780 4.787 -0.007 19286 4936 1 17 . 1 1 12 12 LEU H H 12 8.260 8.260 9.436 -1.176 19286 4937 1 17 . 1 1 13 13 VAL N N 13 128.060 128.060 120.833 7.227 19286 4938 1 17 . 1 1 13 13 VAL HA H 13 4.610 4.610 4.543 0.067 19286 4939 1 17 . 1 1 13 13 VAL H H 13 8.330 8.330 7.908 0.422 19286 4940 1 17 . 1 1 14 14 VAL N N 14 128.470 128.470 117.815 10.655 19286 4941 1 17 . 1 1 14 14 VAL HA H 14 4.700 4.700 4.853 -0.153 19286 4942 1 17 . 1 1 14 14 VAL H H 14 8.840 8.840 8.946 -0.106 19286 4943 1 17 . 1 1 15 15 GLU N N 15 124.840 124.840 125.146 -0.306 19286 4944 1 17 . 1 1 15 15 GLU HA H 15 4.620 4.620 4.647 -0.027 19286 4945 1 17 . 1 1 15 15 GLU H H 15 7.950 7.950 8.426 -0.476 19286 4946 1 17 . 1 1 16 16 ASP N N 16 125.840 125.840 120.124 5.716 19286 4947 1 17 . 1 1 16 16 ASP HA H 16 4.540 4.540 4.196 0.344 19286 4948 1 17 . 1 1 16 16 ASP H H 16 9.360 9.360 8.843 0.517 19286 4949 1 17 . 1 1 17 17 GLU HA H 17 4.290 4.290 4.454 -0.164 19286 4950 1 17 . 1 1 17 17 GLU CA C 17 55.540 55.540 55.345 0.195 19286 4951 1 17 . 1 1 18 18 SER N N 18 124.990 124.990 115.751 9.239 19286 4952 1 17 . 1 1 18 18 SER HA H 18 4.610 4.610 4.496 0.114 19286 4953 1 17 . 1 1 18 18 SER H H 18 8.820 8.820 8.871 -0.051 19286 4954 1 17 . 1 1 19 19 MET N N 19 119.940 119.940 121.320 -1.380 19286 4955 1 17 . 1 1 19 19 MET H H 19 9.030 9.030 8.282 0.748 19286 4956 1 17 . 1 1 20 20 ILE N N 20 118.700 118.700 117.429 1.271 19286 4957 1 17 . 1 1 20 20 ILE H H 20 7.200 7.200 7.780 -0.580 19286 4958 1 17 . 1 1 21 21 ALA N N 21 123.500 123.500 124.798 -1.298 19286 4959 1 17 . 1 1 21 21 ALA CB C 21 18.860 18.860 18.738 0.122 19286 4960 1 17 . 1 1 21 21 ALA H H 21 8.370 8.370 8.644 -0.274 19286 4961 1 17 . 1 1 22 22 MET N N 22 115.790 115.790 119.429 -3.639 19286 4962 1 17 . 1 1 22 22 MET HA H 22 4.160 4.160 4.233 -0.073 19286 4963 1 17 . 1 1 22 22 MET CA C 22 58.440 58.440 58.203 0.237 19286 4964 1 17 . 1 1 22 22 MET H H 22 8.090 8.090 8.147 -0.057 19286 4965 1 17 . 1 1 23 23 LEU N N 23 120.400 120.400 119.829 0.571 19286 4966 1 17 . 1 1 23 23 LEU H H 23 7.490 7.490 7.688 -0.198 19286 4967 1 17 . 1 1 24 24 ILE N N 24 120.840 120.840 121.036 -0.196 19286 4968 1 17 . 1 1 24 24 ILE HA H 24 3.520 3.520 4.122 -0.602 19286 4969 1 17 . 1 1 24 24 ILE CA C 24 67.190 67.190 63.148 4.042 19286 4970 1 17 . 1 1 24 24 ILE CB C 24 38.440 38.440 39.516 -1.076 19286 4971 1 17 . 1 1 24 24 ILE H H 24 8.630 8.630 8.714 -0.084 19286 4972 1 17 . 1 1 25 25 GLU N N 25 119.380 119.380 119.161 0.219 19286 4973 1 17 . 1 1 25 25 GLU H H 25 8.550 8.550 7.794 0.756 19286 4974 1 17 . 1 1 26 26 ASP N N 26 119.700 119.700 117.658 2.042 19286 4975 1 17 . 1 1 26 26 ASP H H 26 8.890 8.890 7.794 1.096 19286 4976 1 17 . 1 1 27 27 THR N N 27 117.460 117.460 115.898 1.562 19286 4977 1 17 . 1 1 27 27 THR HA H 27 4.270 4.270 4.005 0.265 19286 4978 1 17 . 1 1 27 27 THR CA C 27 68.890 68.890 65.816 3.074 19286 4979 1 17 . 1 1 27 27 THR H H 27 8.100 8.100 7.508 0.592 19286 4980 1 17 . 1 1 28 28 LEU N N 28 120.440 120.440 122.984 -2.544 19286 4981 1 17 . 1 1 28 28 LEU HA H 28 3.920 3.920 4.289 -0.369 19286 4982 1 17 . 1 1 28 28 LEU CA C 28 58.440 58.440 57.384 1.056 19286 4983 1 17 . 1 1 28 28 LEU H H 28 8.610 8.610 7.841 0.769 19286 4984 1 17 . 1 1 29 29 CYS N N 29 116.920 116.920 118.025 -1.105 19286 4985 1 17 . 1 1 29 29 CYS H H 29 8.180 8.180 7.747 0.433 19286 4986 1 17 . 1 1 30 30 GLU N N 30 122.820 122.820 120.148 2.672 19286 4987 1 17 . 1 1 30 30 GLU HA H 30 4.160 4.160 4.217 -0.057 19286 4988 1 17 . 1 1 30 30 GLU CA C 30 59.690 59.690 58.207 1.483 19286 4989 1 17 . 1 1 30 30 GLU H H 30 8.060 8.060 7.728 0.332 19286 4990 1 17 . 1 1 31 31 LEU N N 31 116.980 116.980 118.268 -1.288 19286 4991 1 17 . 1 1 31 31 LEU H H 31 7.660 7.660 7.578 0.082 19286 4992 1 17 . 1 1 32 32 GLY N N 32 105.410 105.410 106.124 -0.714 19286 4993 1 17 . 1 1 32 32 GLY H H 32 7.600 7.600 8.213 -0.613 19286 4994 1 17 . 1 1 33 33 HIS N N 33 119.380 119.380 118.212 1.168 19286 4995 1 17 . 1 1 33 33 HIS HA H 33 5.130 5.130 4.546 0.584 19286 4996 1 17 . 1 1 33 33 HIS CA C 33 56.350 56.350 58.191 -1.841 19286 4997 1 17 . 1 1 33 33 HIS CB C 33 33.470 33.470 30.479 2.991 19286 4998 1 17 . 1 1 33 33 HIS H H 33 7.780 7.780 7.773 0.007 19286 4999 1 17 . 1 1 34 34 GLU N N 34 117.930 117.930 116.704 1.226 19286 5000 1 17 . 1 1 34 34 GLU H H 34 8.870 8.870 8.175 0.695 19286 5001 1 17 . 1 1 35 35 VAL N N 35 125.860 125.860 115.548 10.312 19286 5002 1 17 . 1 1 35 35 VAL HA H 35 4.710 4.710 4.657 0.053 19286 5003 1 17 . 1 1 35 35 VAL H H 35 8.870 8.870 7.851 1.019 19286 5004 1 17 . 1 1 36 36 ALA N N 36 132.950 132.950 118.956 13.994 19286 5005 1 17 . 1 1 36 36 ALA HA H 36 4.200 4.200 4.833 -0.633 19286 5006 1 17 . 1 1 36 36 ALA CB C 36 23.860 23.860 21.283 2.577 19286 5007 1 17 . 1 1 36 36 ALA H H 36 9.110 9.110 7.973 1.137 19286 5008 1 17 . 1 1 37 37 ALA N N 37 115.420 115.420 124.279 -8.859 19286 5009 1 17 . 1 1 37 37 ALA H H 37 7.480 7.480 8.133 -0.653 19286 5010 1 17 . 1 1 38 38 THR N N 38 112.980 112.980 113.424 -0.444 19286 5011 1 17 . 1 1 38 38 THR H H 38 8.170 8.170 8.124 0.046 19286 5012 1 17 . 1 1 39 39 ALA CB C 39 22.610 22.610 18.873 3.737 19286 5013 1 17 . 1 1 40 40 SER N N 40 113.630 113.630 116.710 -3.080 19286 5014 1 17 . 1 1 40 40 SER HA H 40 4.450 4.450 4.324 0.126 19286 5015 1 17 . 1 1 40 40 SER CA C 40 57.480 57.480 58.397 -0.917 19286 5016 1 17 . 1 1 40 40 SER H H 40 8.980 8.980 8.450 0.530 19286 5017 1 17 . 1 1 41 41 ARG N N 41 117.890 117.890 127.265 -9.375 19286 5018 1 17 . 1 1 41 41 ARG CB C 41 34.110 34.110 32.457 1.653 19286 5019 1 17 . 1 1 41 41 ARG H H 41 7.340 7.340 7.951 -0.611 19286 5020 1 17 . 1 1 42 42 MET N N 42 123.460 123.460 124.340 -0.880 19286 5021 1 17 . 1 1 42 42 MET HA H 42 4.040 4.040 3.853 0.187 19286 5022 1 17 . 1 1 42 42 MET H H 42 9.340 9.340 8.964 0.376 19286 5023 1 17 . 1 1 43 43 GLN N N 43 117.010 117.010 118.199 -1.189 19286 5024 1 17 . 1 1 43 43 GLN H H 43 8.940 8.940 8.416 0.524 19286 5025 1 17 . 1 1 44 44 GLU N N 44 117.430 117.430 119.560 -2.130 19286 5026 1 17 . 1 1 44 44 GLU CB C 44 26.690 26.690 29.403 -2.713 19286 5027 1 17 . 1 1 44 44 GLU H H 44 7.160 7.160 8.033 -0.873 19286 5028 1 17 . 1 1 45 45 ALA N N 45 121.060 121.060 123.763 -2.703 19286 5029 1 17 . 1 1 45 45 ALA HA H 45 3.680 3.680 3.983 -0.303 19286 5030 1 17 . 1 1 45 45 ALA CA C 45 55.940 55.940 55.365 0.575 19286 5031 1 17 . 1 1 45 45 ALA CB C 45 20.940 20.940 18.253 2.687 19286 5032 1 17 . 1 1 45 45 ALA H H 45 8.220 8.220 8.414 -0.194 19286 5033 1 17 . 1 1 46 46 LEU N N 46 116.750 116.750 118.069 -1.319 19286 5034 1 17 . 1 1 46 46 LEU H H 46 8.350 8.350 7.694 0.656 19286 5035 1 17 . 1 1 47 47 ASP N N 47 117.760 117.760 119.315 -1.555 19286 5036 1 17 . 1 1 47 47 ASP H H 47 7.400 7.400 7.544 -0.144 19286 5037 1 17 . 1 1 48 48 ILE N N 48 118.660 118.660 116.788 1.872 19286 5038 1 17 . 1 1 48 48 ILE H H 48 8.220 8.220 8.164 0.056 19286 5039 1 17 . 1 1 49 49 ALA N N 49 123.150 123.150 122.832 0.318 19286 5040 1 17 . 1 1 49 49 ALA HA H 49 4.040 4.040 3.965 0.075 19286 5041 1 17 . 1 1 49 49 ALA CA C 49 55.940 55.940 53.728 2.212 19286 5042 1 17 . 1 1 49 49 ALA CB C 49 18.120 18.120 19.074 -0.954 19286 5043 1 17 . 1 1 49 49 ALA H H 49 8.610 8.610 6.868 1.742 19286 5044 1 17 . 1 1 50 50 ARG N N 50 113.110 113.110 117.996 -4.886 19286 5045 1 17 . 1 1 50 50 ARG CB C 50 26.570 26.570 30.267 -3.697 19286 5046 1 17 . 1 1 50 50 ARG H H 50 7.440 7.440 8.090 -0.650 19286 5047 1 17 . 1 1 51 51 LYS N N 51 114.910 114.910 118.612 -3.702 19286 5048 1 17 . 1 1 51 51 LYS H H 51 7.550 7.550 8.155 -0.605 19286 5049 1 17 . 1 1 52 52 GLY N N 52 108.150 108.150 107.015 1.135 19286 5050 1 17 . 1 1 52 52 GLY H H 52 8.920 8.920 8.116 0.804 19286 5051 1 17 . 1 1 53 53 GLN N N 53 120.450 120.450 123.253 -2.803 19286 5052 1 17 . 1 1 53 53 GLN H H 53 8.320 8.320 8.487 -0.167 19286 5053 1 17 . 1 1 54 54 PHE N N 54 119.090 119.090 117.730 1.360 19286 5054 1 17 . 1 1 54 54 PHE H H 54 7.180 7.180 8.094 -0.914 19286 5055 1 17 . 1 1 55 55 ASP N N 55 117.290 117.290 118.559 -1.269 19286 5056 1 17 . 1 1 55 55 ASP H H 55 9.330 9.330 7.759 1.571 19286 5057 1 17 . 1 1 56 56 ILE N N 56 109.550 109.550 121.364 -11.814 19286 5058 1 17 . 1 1 56 56 ILE HA H 56 5.220 5.220 4.338 0.882 19286 5059 1 17 . 1 1 56 56 ILE CA C 56 59.690 59.690 59.842 -0.152 19286 5060 1 17 . 1 1 56 56 ILE H H 56 7.690 7.690 8.113 -0.423 19286 5061 1 17 . 1 1 57 57 ALA N N 57 122.390 122.390 126.679 -4.289 19286 5062 1 17 . 1 1 57 57 ALA HA H 57 5.480 5.480 5.604 -0.124 19286 5063 1 17 . 1 1 57 57 ALA CA C 57 50.940 50.940 50.657 0.283 19286 5064 1 17 . 1 1 57 57 ALA H H 57 8.000 8.000 8.399 -0.399 19286 5065 1 17 . 1 1 59 59 ILE N N 59 122.950 122.950 128.015 -5.065 19286 5066 1 17 . 1 1 59 59 ILE HA H 59 4.990 4.990 4.505 0.485 19286 5067 1 17 . 1 1 59 59 ILE CA C 59 57.190 57.190 57.882 -0.692 19286 5068 1 17 . 1 1 59 59 ILE H H 59 8.930 8.930 7.402 1.528 19286 5069 1 17 . 1 1 60 60 ASP N N 60 127.320 127.320 125.357 1.963 19286 5070 1 17 . 1 1 60 60 ASP HA H 60 5.100 5.100 4.617 0.483 19286 5071 1 17 . 1 1 60 60 ASP CA C 60 55.100 55.100 52.239 2.861 19286 5072 1 17 . 1 1 60 60 ASP H H 60 8.360 8.360 7.556 0.804 19286 5073 1 17 . 1 1 61 61 VAL N N 61 121.040 121.040 118.525 2.515 19286 5074 1 17 . 1 1 61 61 VAL HA H 61 3.700 3.700 3.800 -0.100 19286 5075 1 17 . 1 1 61 61 VAL CA C 61 64.630 64.630 63.076 1.554 19286 5076 1 17 . 1 1 61 61 VAL CB C 61 31.590 31.590 31.694 -0.104 19286 5077 1 17 . 1 1 61 61 VAL H H 61 8.540 8.540 8.505 0.035 19286 5078 1 17 . 1 1 63 63 LEU N N 63 121.830 121.830 117.849 3.981 19286 5079 1 17 . 1 1 63 63 LEU HA H 63 4.400 4.400 4.736 -0.336 19286 5080 1 17 . 1 1 63 63 LEU CA C 63 52.810 52.810 53.776 -0.966 19286 5081 1 17 . 1 1 63 63 LEU H H 63 8.960 8.960 7.307 1.653 19286 5082 1 17 . 1 1 64 64 ASP N N 64 128.450 128.450 119.106 9.344 19286 5083 1 17 . 1 1 64 64 ASP HA H 64 4.290 4.290 4.381 -0.091 19286 5084 1 17 . 1 1 64 64 ASP CA C 64 55.940 55.940 56.126 -0.186 19286 5085 1 17 . 1 1 64 64 ASP CB C 64 40.390 40.390 40.170 0.220 19286 5086 1 17 . 1 1 64 64 ASP H H 64 9.840 9.840 9.121 0.719 19286 5087 1 17 . 1 1 65 65 GLY N N 65 133.580 133.580 102.847 30.733 19286 5088 1 17 . 1 1 65 65 GLY H H 65 8.400 8.400 7.774 0.625 19286 5089 1 17 . 1 1 66 66 GLU N N 66 121.110 121.110 119.602 1.508 19286 5090 1 17 . 1 1 66 66 GLU HA H 66 4.920 4.920 3.966 0.954 19286 5091 1 17 . 1 1 66 66 GLU CA C 66 53.100 53.100 56.474 -3.374 19286 5092 1 17 . 1 1 66 66 GLU H H 66 7.790 7.790 7.994 -0.204 19286 5093 1 17 . 1 1 69 69 TYR N N 69 120.020 120.020 115.644 4.376 19286 5094 1 17 . 1 1 69 69 TYR HA H 69 4.410 4.410 4.185 0.225 19286 5095 1 17 . 1 1 69 69 TYR CA C 69 60.970 60.970 56.642 4.328 19286 5096 1 17 . 1 1 69 69 TYR H H 69 6.480 6.480 7.867 -1.387 19286 5097 1 17 . 1 1 71 71 VAL N N 71 115.000 115.000 117.443 -2.443 19286 5098 1 17 . 1 1 71 71 VAL H H 71 7.640 7.640 7.544 0.096 19286 5099 1 17 . 1 1 72 72 ALA N N 72 122.000 122.000 123.064 -1.064 19286 5100 1 17 . 1 1 72 72 ALA CB C 72 20.110 20.110 18.491 1.619 19286 5101 1 17 . 1 1 72 72 ALA H H 72 6.890 6.890 7.623 -0.733 19286 5102 1 17 . 1 1 73 73 ASP N N 73 116.020 116.020 118.600 -2.580 19286 5103 1 17 . 1 1 73 73 ASP H H 73 8.610 8.610 7.569 1.041 19286 5104 1 17 . 1 1 74 74 ILE N N 74 120.950 120.950 119.890 1.060 19286 5105 1 17 . 1 1 74 74 ILE H H 74 7.060 7.060 7.311 -0.251 19286 5106 1 17 . 1 1 75 75 LEU N N 75 119.760 119.760 120.106 -0.346 19286 5107 1 17 . 1 1 75 75 LEU H H 75 7.460 7.460 8.074 -0.614 19286 5108 1 17 . 1 1 76 76 ALA N N 76 121.160 121.160 120.066 1.094 19286 5109 1 17 . 1 1 76 76 ALA H H 76 8.910 8.910 7.773 1.137 19286 5110 1 17 . 1 1 77 77 GLU N N 77 120.340 120.340 120.127 0.213 19286 5111 1 17 . 1 1 77 77 GLU H H 77 7.800 7.800 8.240 -0.440 19286 5112 1 17 . 1 1 78 78 ARG N N 78 116.210 116.210 117.010 -0.800 19286 5113 1 17 . 1 1 78 78 ARG H H 78 7.740 7.740 8.073 -0.333 19286 5114 1 17 . 1 1 79 79 ASN N N 79 116.230 116.230 117.226 -0.996 19286 5115 1 17 . 1 1 79 79 ASN H H 79 8.030 8.030 7.500 0.530 19286 5116 1 17 . 1 1 80 80 VAL N N 80 121.200 121.200 119.481 1.719 19286 5117 1 17 . 1 1 80 80 VAL H H 80 8.200 8.200 7.235 0.965 19286 5118 1 17 . 1 1 82 82 PHE N N 82 113.440 113.440 119.395 -5.955 19286 5119 1 17 . 1 1 82 82 PHE HA H 82 5.690 5.690 4.798 0.892 19286 5120 1 17 . 1 1 82 82 PHE CA C 82 55.480 55.480 55.663 -0.183 19286 5121 1 17 . 1 1 82 82 PHE CB C 82 43.610 43.610 40.589 3.022 19286 5122 1 17 . 1 1 82 82 PHE H H 82 7.310 7.310 7.918 -0.608 19286 5123 1 17 . 1 1 83 83 ILE N N 83 115.230 115.230 117.569 -2.339 19286 5124 1 17 . 1 1 83 83 ILE HA H 83 4.260 4.260 3.835 0.425 19286 5125 1 17 . 1 1 83 83 ILE CA C 83 59.690 59.690 60.929 -1.239 19286 5126 1 17 . 1 1 83 83 ILE H H 83 7.880 7.880 7.784 0.096 19286 5127 1 17 . 1 1 84 84 PHE N N 84 122.680 122.680 122.076 0.604 19286 5128 1 17 . 1 1 84 84 PHE HA H 84 6.190 6.190 5.073 1.117 19286 5129 1 17 . 1 1 84 84 PHE CA C 84 55.470 55.470 56.269 -0.799 19286 5130 1 17 . 1 1 84 84 PHE H H 84 8.360 8.360 7.888 0.472 19286 5131 1 17 . 1 1 85 85 ALA N N 85 123.760 123.760 123.602 0.158 19286 5132 1 17 . 1 1 85 85 ALA HA H 85 5.540 5.540 4.780 0.759 19286 5133 1 17 . 1 1 85 85 ALA CA C 85 50.940 50.940 52.224 -1.284 19286 5134 1 17 . 1 1 85 85 ALA H H 85 8.570 8.570 7.917 0.653 19286 5135 1 17 . 1 1 86 86 THR N N 86 114.260 114.260 115.452 -1.192 19286 5136 1 17 . 1 1 86 86 THR HA H 86 4.290 4.290 4.663 -0.373 19286 5137 1 17 . 1 1 86 86 THR CA C 86 56.720 56.720 60.630 -3.909 19286 5138 1 17 . 1 1 86 86 THR CB C 86 69.610 69.610 71.240 -1.630 19286 5139 1 17 . 1 1 86 86 THR H H 86 8.640 8.640 8.125 0.515 19286 5140 1 17 . 1 1 87 87 GLY N N 87 112.830 112.830 109.761 3.069 19286 5141 1 17 . 1 1 87 87 GLY H H 87 8.590 8.590 8.698 -0.108 19286 5142 1 17 . 1 1 89 89 GLY N N 89 111.750 111.750 111.379 0.371 19286 5143 1 17 . 1 1 89 89 GLY H H 89 8.300 8.300 7.875 0.425 19286 5144 1 17 . 1 1 90 90 SER CA C 90 57.970 57.970 58.856 -0.886 19286 5145 1 17 . 1 1 90 90 SER H H 90 4.990 4.990 8.042 -3.052 19286 5146 1 17 . 1 1 91 91 LYS N N 91 122.950 122.950 127.207 -4.257 19286 5147 1 17 . 1 1 91 91 LYS H H 91 8.180 8.180 8.337 -0.157 19286 5148 1 17 . 1 1 92 92 GLY N N 92 109.390 109.390 107.694 1.696 19286 5149 1 17 . 1 1 92 92 GLY H H 92 8.320 8.320 7.901 0.419 19286 5150 1 17 . 1 1 93 93 LEU N N 93 121.760 121.760 121.211 0.549 19286 5151 1 17 . 1 1 93 93 LEU CB C 93 42.970 42.970 41.482 1.488 19286 5152 1 17 . 1 1 93 93 LEU H H 93 7.910 7.910 7.560 0.350 19286 5153 1 17 . 1 1 94 94 ASP N N 94 122.710 122.710 120.135 2.575 19286 5154 1 17 . 1 1 94 94 ASP H H 94 7.650 7.650 8.503 -0.853 19286 5155 1 17 . 1 1 95 95 THR N N 95 117.650 117.650 113.202 4.448 19286 5156 1 17 . 1 1 95 95 THR H H 95 8.210 8.210 8.321 -0.111 19286 5157 1 17 . 1 1 96 96 ARG N N 96 122.360 122.360 120.503 1.857 19286 5158 1 17 . 1 1 96 96 ARG H H 96 8.700 8.700 8.844 -0.144 19286 5159 1 17 . 1 1 97 97 TYR N N 97 117.080 117.080 117.264 -0.184 19286 5160 1 17 . 1 1 97 97 TYR CB C 97 39.220 39.220 38.702 0.518 19286 5161 1 17 . 1 1 97 97 TYR H H 97 8.000 8.000 8.285 -0.285 19286 5162 1 17 . 1 1 98 98 SER N N 98 114.730 114.730 110.194 4.536 19286 5163 1 17 . 1 1 98 98 SER H H 98 7.580 7.580 8.127 -0.547 19286 5164 1 17 . 1 1 99 99 ASN N N 99 117.230 117.230 116.860 0.370 19286 5165 1 17 . 1 1 99 99 ASN H H 99 8.600 8.600 8.522 0.078 19286 5166 1 17 . 1 1 100 100 ILE N N 100 124.250 124.250 112.863 11.387 19286 5167 1 17 . 1 1 100 100 ILE H H 100 7.520 7.520 7.930 -0.410 19286 5168 1 17 . 1 1 102 102 LEU N N 102 121.060 121.060 119.120 1.940 19286 5169 1 17 . 1 1 102 102 LEU H H 102 7.870 7.870 7.178 0.692 19286 5170 1 17 . 1 1 103 103 LEU N N 103 126.970 126.970 120.847 6.123 19286 5171 1 17 . 1 1 103 103 LEU HA H 103 4.620 4.620 4.631 -0.011 19286 5172 1 17 . 1 1 103 103 LEU CA C 103 54.690 54.690 54.293 0.397 19286 5173 1 17 . 1 1 103 103 LEU H H 103 9.080 9.080 7.853 1.227 19286 5174 1 17 . 1 1 104 104 THR N N 104 118.430 118.430 113.905 4.525 19286 5175 1 17 . 1 1 104 104 THR HA H 104 4.760 4.760 4.477 0.283 19286 5176 1 17 . 1 1 104 104 THR CA C 104 63.440 63.440 61.681 1.760 19286 5177 1 17 . 1 1 104 104 THR H H 104 8.430 8.430 8.281 0.149 19286 5178 1 17 . 1 1 105 105 LYS N N 105 122.030 122.030 119.978 2.052 19286 5179 1 17 . 1 1 105 105 LYS HA H 105 4.290 4.290 4.301 -0.011 19286 5180 1 17 . 1 1 105 105 LYS CA C 105 54.690 54.690 57.259 -2.569 19286 5181 1 17 . 1 1 105 105 LYS H H 105 8.170 8.170 7.808 0.362 19286 5182 1 17 . 1 1 107 107 PHE N N 107 118.490 118.490 113.662 4.828 19286 5183 1 17 . 1 1 107 107 PHE H H 107 7.470 7.470 8.183 -0.713 19286 5184 1 17 . 1 1 109 109 ASP N N 109 124.810 124.810 113.326 11.484 19286 5185 1 17 . 1 1 109 109 ASP HA H 109 4.710 4.710 4.787 -0.077 19286 5186 1 17 . 1 1 109 109 ASP H H 109 9.130 9.130 8.300 0.830 19286 5187 1 17 . 1 1 110 110 SER HA H 110 4.270 4.270 4.387 -0.117 19286 5188 1 17 . 1 1 110 110 SER CA C 110 59.690 59.690 60.516 -0.826 19286 5189 1 17 . 1 1 111 111 GLU N N 111 123.780 123.780 120.908 2.872 19286 5190 1 17 . 1 1 111 111 GLU HA H 111 4.060 4.060 3.846 0.214 19286 5191 1 17 . 1 1 111 111 GLU CA C 111 58.440 58.440 59.364 -0.923 19286 5192 1 17 . 1 1 111 111 GLU H H 111 7.410 7.410 8.434 -1.024 19286 5193 1 17 . 1 1 112 112 LEU N N 112 120.180 120.180 117.087 3.093 19286 5194 1 17 . 1 1 112 112 LEU HA H 112 3.900 3.900 3.902 -0.002 19286 5195 1 17 . 1 1 112 112 LEU CA C 112 58.440 58.440 58.291 0.149 19286 5196 1 17 . 1 1 112 112 LEU H H 112 7.670 7.670 7.542 0.128 19286 5197 1 17 . 1 1 113 113 GLU N N 113 118.380 118.380 120.315 -1.935 19286 5198 1 17 . 1 1 113 113 GLU HA H 113 3.730 3.730 3.833 -0.103 19286 5199 1 17 . 1 1 113 113 GLU CA C 113 60.940 60.940 59.804 1.136 19286 5200 1 17 . 1 1 113 113 GLU H H 113 8.530 8.530 7.899 0.631 19286 5201 1 17 . 1 1 114 114 ALA N N 114 117.790 117.790 119.269 -1.479 19286 5202 1 17 . 1 1 114 114 ALA HA H 114 4.140 4.140 3.996 0.144 19286 5203 1 17 . 1 1 114 114 ALA CA C 114 55.540 55.540 55.103 0.437 19286 5204 1 17 . 1 1 114 114 ALA CB C 114 18.440 18.440 18.616 -0.175 19286 5205 1 17 . 1 1 114 114 ALA H H 114 7.480 7.480 7.740 -0.260 19286 5206 1 17 . 1 1 115 115 VAL N N 115 116.000 116.000 115.331 0.669 19286 5207 1 17 . 1 1 115 115 VAL HA H 115 4.030 4.030 4.136 -0.106 19286 5208 1 17 . 1 1 115 115 VAL CA C 115 65.940 65.940 63.650 2.290 19286 5209 1 17 . 1 1 115 115 VAL H H 115 7.540 7.540 7.748 -0.208 19286 5210 1 17 . 1 1 116 116 LEU HA H 116 4.280 4.280 4.643 -0.363 19286 5211 1 17 . 1 1 116 116 LEU CA C 116 57.570 57.570 56.770 0.800 19286 5212 1 17 . 1 1 117 117 VAL N N 117 119.140 119.140 119.326 -0.186 19286 5213 1 17 . 1 1 117 117 VAL H H 117 8.200 8.200 8.364 -0.164 19286 5214 1 17 . 1 1 120 120 SER N N 120 115.730 115.730 118.287 -2.557 19286 5215 1 17 . 1 1 120 120 SER H H 120 7.780 7.780 8.177 -0.397 19286 5216 1 17 . 1 1 121 121 LYS N N 121 120.870 120.870 119.770 1.100 19286 5217 1 17 . 1 1 121 121 LYS H H 121 7.540 7.540 8.164 -0.624 19286 5218 1 17 . 1 1 122 122 GLU N N 122 120.160 120.160 121.358 -1.198 19286 5219 1 17 . 1 1 122 122 GLU H H 122 8.140 8.140 8.777 -0.637 19286 5220 1 18 . 1 1 4 4 MET N N 4 121.520 121.520 118.749 2.771 19286 5221 1 18 . 1 1 4 4 MET H H 4 8.450 8.450 8.320 0.130 19286 5222 1 18 . 1 1 5 5 THR N N 5 115.270 115.270 113.173 2.097 19286 5223 1 18 . 1 1 5 5 THR H H 5 8.090 8.090 7.992 0.098 19286 5224 1 18 . 1 1 6 6 GLU N N 6 123.580 123.580 121.638 1.942 19286 5225 1 18 . 1 1 6 6 GLU H H 6 8.430 8.430 8.555 -0.125 19286 5226 1 18 . 1 1 7 7 ARG N N 7 120.850 120.850 121.592 -0.742 19286 5227 1 18 . 1 1 7 7 ARG H H 7 8.030 8.030 8.688 -0.658 19286 5228 1 18 . 1 1 8 8 ARG N N 8 125.410 125.410 117.556 7.854 19286 5229 1 18 . 1 1 8 8 ARG HA H 8 4.370 4.370 4.365 0.005 19286 5230 1 18 . 1 1 8 8 ARG H H 8 8.310 8.310 8.092 0.218 19286 5231 1 18 . 1 1 9 9 LEU N N 9 130.330 130.330 118.194 12.136 19286 5232 1 18 . 1 1 9 9 LEU HA H 9 4.610 4.610 4.130 0.480 19286 5233 1 18 . 1 1 9 9 LEU H H 9 11.100 11.100 7.387 3.713 19286 5234 1 18 . 1 1 10 10 ARG N N 10 121.420 121.420 118.397 3.023 19286 5235 1 18 . 1 1 10 10 ARG HA H 10 5.010 5.010 4.458 0.552 19286 5236 1 18 . 1 1 10 10 ARG CA C 10 55.940 55.940 54.734 1.206 19286 5237 1 18 . 1 1 10 10 ARG H H 10 9.620 9.620 8.760 0.860 19286 5238 1 18 . 1 1 11 11 VAL N N 11 125.110 125.110 119.109 6.001 19286 5239 1 18 . 1 1 11 11 VAL HA H 11 4.970 4.970 4.646 0.324 19286 5240 1 18 . 1 1 11 11 VAL H H 11 9.210 9.210 8.548 0.662 19286 5241 1 18 . 1 1 12 12 LEU N N 12 130.050 130.050 130.070 -0.020 19286 5242 1 18 . 1 1 12 12 LEU HA H 12 4.780 4.780 4.589 0.191 19286 5243 1 18 . 1 1 12 12 LEU H H 12 8.260 8.260 9.433 -1.173 19286 5244 1 18 . 1 1 13 13 VAL N N 13 128.060 128.060 125.781 2.279 19286 5245 1 18 . 1 1 13 13 VAL HA H 13 4.610 4.610 4.455 0.155 19286 5246 1 18 . 1 1 13 13 VAL H H 13 8.330 8.330 8.000 0.330 19286 5247 1 18 . 1 1 14 14 VAL N N 14 128.470 128.470 119.278 9.192 19286 5248 1 18 . 1 1 14 14 VAL HA H 14 4.700 4.700 4.714 -0.014 19286 5249 1 18 . 1 1 14 14 VAL H H 14 8.840 8.840 8.842 -0.002 19286 5250 1 18 . 1 1 15 15 GLU N N 15 124.840 124.840 121.503 3.337 19286 5251 1 18 . 1 1 15 15 GLU HA H 15 4.620 4.620 4.550 0.070 19286 5252 1 18 . 1 1 15 15 GLU H H 15 7.950 7.950 8.320 -0.370 19286 5253 1 18 . 1 1 16 16 ASP N N 16 125.840 125.840 120.181 5.659 19286 5254 1 18 . 1 1 16 16 ASP HA H 16 4.540 4.540 4.250 0.290 19286 5255 1 18 . 1 1 16 16 ASP H H 16 9.360 9.360 8.715 0.645 19286 5256 1 18 . 1 1 17 17 GLU HA H 17 4.290 4.290 4.463 -0.173 19286 5257 1 18 . 1 1 17 17 GLU CA C 17 55.540 55.540 54.769 0.771 19286 5258 1 18 . 1 1 18 18 SER N N 18 124.990 124.990 115.613 9.377 19286 5259 1 18 . 1 1 18 18 SER HA H 18 4.610 4.610 4.327 0.283 19286 5260 1 18 . 1 1 18 18 SER H H 18 8.820 8.820 8.883 -0.063 19286 5261 1 18 . 1 1 19 19 MET N N 19 119.940 119.940 121.815 -1.875 19286 5262 1 18 . 1 1 19 19 MET H H 19 9.030 9.030 8.206 0.824 19286 5263 1 18 . 1 1 20 20 ILE N N 20 118.700 118.700 116.736 1.964 19286 5264 1 18 . 1 1 20 20 ILE H H 20 7.200 7.200 7.562 -0.362 19286 5265 1 18 . 1 1 21 21 ALA N N 21 123.500 123.500 124.195 -0.695 19286 5266 1 18 . 1 1 21 21 ALA CB C 21 18.860 18.860 18.955 -0.095 19286 5267 1 18 . 1 1 21 21 ALA H H 21 8.370 8.370 8.219 0.151 19286 5268 1 18 . 1 1 22 22 MET N N 22 115.790 115.790 119.073 -3.283 19286 5269 1 18 . 1 1 22 22 MET HA H 22 4.160 4.160 4.260 -0.100 19286 5270 1 18 . 1 1 22 22 MET CA C 22 58.440 58.440 57.904 0.536 19286 5271 1 18 . 1 1 22 22 MET H H 22 8.090 8.090 7.841 0.249 19286 5272 1 18 . 1 1 23 23 LEU N N 23 120.400 120.400 118.215 2.185 19286 5273 1 18 . 1 1 23 23 LEU H H 23 7.490 7.490 7.793 -0.303 19286 5274 1 18 . 1 1 24 24 ILE N N 24 120.840 120.840 119.676 1.164 19286 5275 1 18 . 1 1 24 24 ILE HA H 24 3.520 3.520 4.307 -0.787 19286 5276 1 18 . 1 1 24 24 ILE CA C 24 67.190 67.190 62.519 4.671 19286 5277 1 18 . 1 1 24 24 ILE CB C 24 38.440 38.440 40.434 -1.994 19286 5278 1 18 . 1 1 24 24 ILE H H 24 8.630 8.630 8.160 0.470 19286 5279 1 18 . 1 1 25 25 GLU N N 25 119.380 119.380 119.710 -0.330 19286 5280 1 18 . 1 1 25 25 GLU H H 25 8.550 8.550 7.875 0.675 19286 5281 1 18 . 1 1 26 26 ASP N N 26 119.700 119.700 115.924 3.776 19286 5282 1 18 . 1 1 26 26 ASP H H 26 8.890 8.890 7.799 1.091 19286 5283 1 18 . 1 1 27 27 THR N N 27 117.460 117.460 113.443 4.017 19286 5284 1 18 . 1 1 27 27 THR HA H 27 4.270 4.270 4.392 -0.122 19286 5285 1 18 . 1 1 27 27 THR CA C 27 68.890 68.890 64.759 4.131 19286 5286 1 18 . 1 1 27 27 THR H H 27 8.100 8.100 7.607 0.493 19286 5287 1 18 . 1 1 28 28 LEU N N 28 120.440 120.440 122.277 -1.837 19286 5288 1 18 . 1 1 28 28 LEU HA H 28 3.920 3.920 4.272 -0.352 19286 5289 1 18 . 1 1 28 28 LEU CA C 28 58.440 58.440 57.782 0.658 19286 5290 1 18 . 1 1 28 28 LEU H H 28 8.610 8.610 8.950 -0.340 19286 5291 1 18 . 1 1 29 29 CYS N N 29 116.920 116.920 117.890 -0.970 19286 5292 1 18 . 1 1 29 29 CYS H H 29 8.180 8.180 7.644 0.536 19286 5293 1 18 . 1 1 30 30 GLU N N 30 122.820 122.820 119.097 3.723 19286 5294 1 18 . 1 1 30 30 GLU HA H 30 4.160 4.160 4.012 0.148 19286 5295 1 18 . 1 1 30 30 GLU CA C 30 59.690 59.690 58.866 0.824 19286 5296 1 18 . 1 1 30 30 GLU H H 30 8.060 8.060 7.996 0.064 19286 5297 1 18 . 1 1 31 31 LEU N N 31 116.980 116.980 117.460 -0.480 19286 5298 1 18 . 1 1 31 31 LEU H H 31 7.660 7.660 7.356 0.304 19286 5299 1 18 . 1 1 32 32 GLY N N 32 105.410 105.410 105.960 -0.550 19286 5300 1 18 . 1 1 32 32 GLY H H 32 7.600 7.600 7.984 -0.384 19286 5301 1 18 . 1 1 33 33 HIS N N 33 119.380 119.380 118.619 0.761 19286 5302 1 18 . 1 1 33 33 HIS HA H 33 5.130 5.130 4.392 0.738 19286 5303 1 18 . 1 1 33 33 HIS CA C 33 56.350 56.350 57.753 -1.403 19286 5304 1 18 . 1 1 33 33 HIS CB C 33 33.470 33.470 30.514 2.957 19286 5305 1 18 . 1 1 33 33 HIS H H 33 7.780 7.780 7.526 0.254 19286 5306 1 18 . 1 1 34 34 GLU N N 34 117.930 117.930 119.172 -1.242 19286 5307 1 18 . 1 1 34 34 GLU H H 34 8.870 8.870 8.148 0.722 19286 5308 1 18 . 1 1 35 35 VAL N N 35 125.860 125.860 118.832 7.028 19286 5309 1 18 . 1 1 35 35 VAL HA H 35 4.710 4.710 4.152 0.558 19286 5310 1 18 . 1 1 35 35 VAL H H 35 8.870 8.870 8.109 0.761 19286 5311 1 18 . 1 1 36 36 ALA N N 36 132.950 132.950 129.323 3.627 19286 5312 1 18 . 1 1 36 36 ALA HA H 36 4.200 4.200 4.641 -0.441 19286 5313 1 18 . 1 1 36 36 ALA CB C 36 23.860 23.860 21.499 2.361 19286 5314 1 18 . 1 1 36 36 ALA H H 36 9.110 9.110 8.113 0.997 19286 5315 1 18 . 1 1 37 37 ALA N N 37 115.420 115.420 120.300 -4.880 19286 5316 1 18 . 1 1 37 37 ALA H H 37 7.480 7.480 8.054 -0.574 19286 5317 1 18 . 1 1 38 38 THR N N 38 112.980 112.980 119.021 -6.041 19286 5318 1 18 . 1 1 38 38 THR H H 38 8.170 8.170 8.203 -0.033 19286 5319 1 18 . 1 1 39 39 ALA CB C 39 22.610 22.610 19.117 3.493 19286 5320 1 18 . 1 1 40 40 SER N N 40 113.630 113.630 115.776 -2.146 19286 5321 1 18 . 1 1 40 40 SER HA H 40 4.450 4.450 4.366 0.084 19286 5322 1 18 . 1 1 40 40 SER CA C 40 57.480 57.480 59.158 -1.678 19286 5323 1 18 . 1 1 40 40 SER H H 40 8.980 8.980 8.347 0.633 19286 5324 1 18 . 1 1 41 41 ARG N N 41 117.890 117.890 127.943 -10.053 19286 5325 1 18 . 1 1 41 41 ARG CB C 41 34.110 34.110 32.287 1.823 19286 5326 1 18 . 1 1 41 41 ARG H H 41 7.340 7.340 8.702 -1.362 19286 5327 1 18 . 1 1 42 42 MET N N 42 123.460 123.460 124.713 -1.253 19286 5328 1 18 . 1 1 42 42 MET HA H 42 4.040 4.040 3.691 0.349 19286 5329 1 18 . 1 1 42 42 MET H H 42 9.340 9.340 8.955 0.385 19286 5330 1 18 . 1 1 43 43 GLN N N 43 117.010 117.010 118.149 -1.139 19286 5331 1 18 . 1 1 43 43 GLN H H 43 8.940 8.940 8.181 0.759 19286 5332 1 18 . 1 1 44 44 GLU N N 44 117.430 117.430 120.191 -2.761 19286 5333 1 18 . 1 1 44 44 GLU CB C 44 26.690 26.690 29.347 -2.657 19286 5334 1 18 . 1 1 44 44 GLU H H 44 7.160 7.160 8.062 -0.902 19286 5335 1 18 . 1 1 45 45 ALA N N 45 121.060 121.060 122.466 -1.406 19286 5336 1 18 . 1 1 45 45 ALA HA H 45 3.680 3.680 3.925 -0.245 19286 5337 1 18 . 1 1 45 45 ALA CA C 45 55.940 55.940 55.187 0.753 19286 5338 1 18 . 1 1 45 45 ALA CB C 45 20.940 20.940 18.201 2.739 19286 5339 1 18 . 1 1 45 45 ALA H H 45 8.220 8.220 8.340 -0.120 19286 5340 1 18 . 1 1 46 46 LEU N N 46 116.750 116.750 118.733 -1.983 19286 5341 1 18 . 1 1 46 46 LEU H H 46 8.350 8.350 7.581 0.769 19286 5342 1 18 . 1 1 47 47 ASP N N 47 117.760 117.760 117.899 -0.139 19286 5343 1 18 . 1 1 47 47 ASP H H 47 7.400 7.400 8.306 -0.906 19286 5344 1 18 . 1 1 48 48 ILE N N 48 118.660 118.660 113.890 4.770 19286 5345 1 18 . 1 1 48 48 ILE H H 48 8.220 8.220 7.638 0.582 19286 5346 1 18 . 1 1 49 49 ALA N N 49 123.150 123.150 123.518 -0.368 19286 5347 1 18 . 1 1 49 49 ALA HA H 49 4.040 4.040 3.936 0.104 19286 5348 1 18 . 1 1 49 49 ALA CA C 49 55.940 55.940 54.299 1.641 19286 5349 1 18 . 1 1 49 49 ALA CB C 49 18.120 18.120 19.343 -1.223 19286 5350 1 18 . 1 1 49 49 ALA H H 49 8.610 8.610 7.473 1.137 19286 5351 1 18 . 1 1 50 50 ARG N N 50 113.110 113.110 118.637 -5.527 19286 5352 1 18 . 1 1 50 50 ARG CB C 50 26.570 26.570 29.889 -3.319 19286 5353 1 18 . 1 1 50 50 ARG H H 50 7.440 7.440 7.797 -0.357 19286 5354 1 18 . 1 1 51 51 LYS N N 51 114.910 114.910 119.335 -4.425 19286 5355 1 18 . 1 1 51 51 LYS H H 51 7.550 7.550 7.735 -0.185 19286 5356 1 18 . 1 1 52 52 GLY N N 52 108.150 108.150 106.275 1.875 19286 5357 1 18 . 1 1 52 52 GLY H H 52 8.920 8.920 8.348 0.572 19286 5358 1 18 . 1 1 53 53 GLN N N 53 120.450 120.450 117.748 2.702 19286 5359 1 18 . 1 1 53 53 GLN H H 53 8.320 8.320 8.258 0.062 19286 5360 1 18 . 1 1 54 54 PHE N N 54 119.090 119.090 117.931 1.159 19286 5361 1 18 . 1 1 54 54 PHE H H 54 7.180 7.180 8.441 -1.261 19286 5362 1 18 . 1 1 55 55 ASP N N 55 117.290 117.290 116.350 0.940 19286 5363 1 18 . 1 1 55 55 ASP H H 55 9.330 9.330 7.392 1.938 19286 5364 1 18 . 1 1 56 56 ILE N N 56 109.550 109.550 119.264 -9.714 19286 5365 1 18 . 1 1 56 56 ILE HA H 56 5.220 5.220 4.357 0.863 19286 5366 1 18 . 1 1 56 56 ILE CA C 56 59.690 59.690 59.880 -0.190 19286 5367 1 18 . 1 1 56 56 ILE H H 56 7.690 7.690 7.703 -0.013 19286 5368 1 18 . 1 1 57 57 ALA N N 57 122.390 122.390 126.745 -4.355 19286 5369 1 18 . 1 1 57 57 ALA HA H 57 5.480 5.480 5.569 -0.089 19286 5370 1 18 . 1 1 57 57 ALA CA C 57 50.940 50.940 51.013 -0.073 19286 5371 1 18 . 1 1 57 57 ALA H H 57 8.000 8.000 8.445 -0.445 19286 5372 1 18 . 1 1 59 59 ILE N N 59 122.950 122.950 129.248 -6.298 19286 5373 1 18 . 1 1 59 59 ILE HA H 59 4.990 4.990 4.489 0.501 19286 5374 1 18 . 1 1 59 59 ILE CA C 59 57.190 57.190 60.094 -2.904 19286 5375 1 18 . 1 1 59 59 ILE H H 59 8.930 8.930 7.763 1.167 19286 5376 1 18 . 1 1 60 60 ASP N N 60 127.320 127.320 123.706 3.614 19286 5377 1 18 . 1 1 60 60 ASP HA H 60 5.100 5.100 4.887 0.213 19286 5378 1 18 . 1 1 60 60 ASP CA C 60 55.100 55.100 53.614 1.486 19286 5379 1 18 . 1 1 60 60 ASP H H 60 8.360 8.360 7.736 0.624 19286 5380 1 18 . 1 1 61 61 VAL N N 61 121.040 121.040 119.421 1.619 19286 5381 1 18 . 1 1 61 61 VAL HA H 61 3.700 3.700 3.695 0.005 19286 5382 1 18 . 1 1 61 61 VAL CA C 61 64.630 64.630 63.606 1.024 19286 5383 1 18 . 1 1 61 61 VAL CB C 61 31.590 31.590 30.737 0.853 19286 5384 1 18 . 1 1 61 61 VAL H H 61 8.540 8.540 8.403 0.137 19286 5385 1 18 . 1 1 63 63 LEU N N 63 121.830 121.830 119.974 1.856 19286 5386 1 18 . 1 1 63 63 LEU HA H 63 4.400 4.400 4.180 0.220 19286 5387 1 18 . 1 1 63 63 LEU CA C 63 52.810 52.810 55.506 -2.696 19286 5388 1 18 . 1 1 63 63 LEU H H 63 8.960 8.960 8.047 0.913 19286 5389 1 18 . 1 1 64 64 ASP N N 64 128.450 128.450 121.137 7.313 19286 5390 1 18 . 1 1 64 64 ASP HA H 64 4.290 4.290 4.307 -0.017 19286 5391 1 18 . 1 1 64 64 ASP CA C 64 55.940 55.940 55.218 0.722 19286 5392 1 18 . 1 1 64 64 ASP CB C 64 40.390 40.390 40.481 -0.091 19286 5393 1 18 . 1 1 64 64 ASP H H 64 9.840 9.840 8.822 1.018 19286 5394 1 18 . 1 1 65 65 GLY N N 65 133.580 133.580 104.824 28.756 19286 5395 1 18 . 1 1 65 65 GLY H H 65 8.400 8.400 8.141 0.259 19286 5396 1 18 . 1 1 66 66 GLU N N 66 121.110 121.110 119.727 1.383 19286 5397 1 18 . 1 1 66 66 GLU HA H 66 4.920 4.920 4.534 0.386 19286 5398 1 18 . 1 1 66 66 GLU CA C 66 53.100 53.100 57.639 -4.539 19286 5399 1 18 . 1 1 66 66 GLU H H 66 7.790 7.790 7.940 -0.150 19286 5400 1 18 . 1 1 69 69 TYR N N 69 120.020 120.020 119.552 0.468 19286 5401 1 18 . 1 1 69 69 TYR HA H 69 4.410 4.410 4.162 0.248 19286 5402 1 18 . 1 1 69 69 TYR CA C 69 60.970 60.970 58.318 2.652 19286 5403 1 18 . 1 1 69 69 TYR H H 69 6.480 6.480 7.073 -0.593 19286 5404 1 18 . 1 1 71 71 VAL N N 71 115.000 115.000 120.897 -5.897 19286 5405 1 18 . 1 1 71 71 VAL H H 71 7.640 7.640 7.811 -0.171 19286 5406 1 18 . 1 1 72 72 ALA N N 72 122.000 122.000 123.298 -1.298 19286 5407 1 18 . 1 1 72 72 ALA CB C 72 20.110 20.110 18.755 1.355 19286 5408 1 18 . 1 1 72 72 ALA H H 72 6.890 6.890 8.017 -1.127 19286 5409 1 18 . 1 1 73 73 ASP N N 73 116.020 116.020 118.555 -2.535 19286 5410 1 18 . 1 1 73 73 ASP H H 73 8.610 8.610 7.703 0.907 19286 5411 1 18 . 1 1 74 74 ILE N N 74 120.950 120.950 120.676 0.274 19286 5412 1 18 . 1 1 74 74 ILE H H 74 7.060 7.060 7.406 -0.346 19286 5413 1 18 . 1 1 75 75 LEU N N 75 119.760 119.760 119.476 0.284 19286 5414 1 18 . 1 1 75 75 LEU H H 75 7.460 7.460 7.885 -0.425 19286 5415 1 18 . 1 1 76 76 ALA N N 76 121.160 121.160 121.800 -0.640 19286 5416 1 18 . 1 1 76 76 ALA H H 76 8.910 8.910 8.133 0.777 19286 5417 1 18 . 1 1 77 77 GLU N N 77 120.340 120.340 120.105 0.235 19286 5418 1 18 . 1 1 77 77 GLU H H 77 7.800 7.800 7.973 -0.173 19286 5419 1 18 . 1 1 78 78 ARG N N 78 116.210 116.210 116.456 -0.246 19286 5420 1 18 . 1 1 78 78 ARG H H 78 7.740 7.740 7.467 0.273 19286 5421 1 18 . 1 1 79 79 ASN N N 79 116.230 116.230 120.001 -3.771 19286 5422 1 18 . 1 1 79 79 ASN H H 79 8.030 8.030 8.081 -0.051 19286 5423 1 18 . 1 1 80 80 VAL N N 80 121.200 121.200 115.355 5.845 19286 5424 1 18 . 1 1 80 80 VAL H H 80 8.200 8.200 7.805 0.395 19286 5425 1 18 . 1 1 82 82 PHE N N 82 113.440 113.440 119.889 -6.449 19286 5426 1 18 . 1 1 82 82 PHE HA H 82 5.690 5.690 4.969 0.721 19286 5427 1 18 . 1 1 82 82 PHE CA C 82 55.480 55.480 56.112 -0.632 19286 5428 1 18 . 1 1 82 82 PHE CB C 82 43.610 43.610 40.765 2.845 19286 5429 1 18 . 1 1 82 82 PHE H H 82 7.310 7.310 8.234 -0.924 19286 5430 1 18 . 1 1 83 83 ILE N N 83 115.230 115.230 118.085 -2.855 19286 5431 1 18 . 1 1 83 83 ILE HA H 83 4.260 4.260 3.542 0.718 19286 5432 1 18 . 1 1 83 83 ILE CA C 83 59.690 59.690 60.774 -1.084 19286 5433 1 18 . 1 1 83 83 ILE H H 83 7.880 7.880 7.709 0.171 19286 5434 1 18 . 1 1 84 84 PHE N N 84 122.680 122.680 122.726 -0.046 19286 5435 1 18 . 1 1 84 84 PHE HA H 84 6.190 6.190 4.817 1.373 19286 5436 1 18 . 1 1 84 84 PHE CA C 84 55.470 55.470 56.969 -1.499 19286 5437 1 18 . 1 1 84 84 PHE H H 84 8.360 8.360 8.166 0.194 19286 5438 1 18 . 1 1 85 85 ALA N N 85 123.760 123.760 122.485 1.275 19286 5439 1 18 . 1 1 85 85 ALA HA H 85 5.540 5.540 4.905 0.635 19286 5440 1 18 . 1 1 85 85 ALA CA C 85 50.940 50.940 51.837 -0.897 19286 5441 1 18 . 1 1 85 85 ALA H H 85 8.570 8.570 8.403 0.167 19286 5442 1 18 . 1 1 86 86 THR N N 86 114.260 114.260 113.247 1.013 19286 5443 1 18 . 1 1 86 86 THR HA H 86 4.290 4.290 4.353 -0.063 19286 5444 1 18 . 1 1 86 86 THR CA C 86 56.720 56.720 62.197 -5.477 19286 5445 1 18 . 1 1 86 86 THR CB C 86 69.610 69.610 69.369 0.241 19286 5446 1 18 . 1 1 86 86 THR H H 86 8.640 8.640 8.091 0.549 19286 5447 1 18 . 1 1 87 87 GLY N N 87 112.830 112.830 110.461 2.369 19286 5448 1 18 . 1 1 87 87 GLY H H 87 8.590 8.590 8.832 -0.242 19286 5449 1 18 . 1 1 89 89 GLY N N 89 111.750 111.750 111.742 0.008 19286 5450 1 18 . 1 1 89 89 GLY H H 89 8.300 8.300 8.963 -0.663 19286 5451 1 18 . 1 1 90 90 SER CA C 90 57.970 57.970 57.127 0.843 19286 5452 1 18 . 1 1 90 90 SER H H 90 4.990 4.990 7.905 -2.915 19286 5453 1 18 . 1 1 91 91 LYS N N 91 122.950 122.950 122.193 0.757 19286 5454 1 18 . 1 1 91 91 LYS H H 91 8.180 8.180 8.498 -0.318 19286 5455 1 18 . 1 1 92 92 GLY N N 92 109.390 109.390 107.700 1.690 19286 5456 1 18 . 1 1 92 92 GLY H H 92 8.320 8.320 7.824 0.496 19286 5457 1 18 . 1 1 93 93 LEU N N 93 121.760 121.760 120.294 1.466 19286 5458 1 18 . 1 1 93 93 LEU CB C 93 42.970 42.970 41.468 1.502 19286 5459 1 18 . 1 1 93 93 LEU H H 93 7.910 7.910 7.712 0.198 19286 5460 1 18 . 1 1 94 94 ASP N N 94 122.710 122.710 123.115 -0.405 19286 5461 1 18 . 1 1 94 94 ASP H H 94 7.650 7.650 8.384 -0.734 19286 5462 1 18 . 1 1 95 95 THR N N 95 117.650 117.650 114.748 2.902 19286 5463 1 18 . 1 1 95 95 THR H H 95 8.210 8.210 8.272 -0.062 19286 5464 1 18 . 1 1 96 96 ARG N N 96 122.360 122.360 120.982 1.378 19286 5465 1 18 . 1 1 96 96 ARG H H 96 8.700 8.700 8.961 -0.261 19286 5466 1 18 . 1 1 97 97 TYR N N 97 117.080 117.080 117.079 0.001 19286 5467 1 18 . 1 1 97 97 TYR CB C 97 39.220 39.220 37.131 2.089 19286 5468 1 18 . 1 1 97 97 TYR H H 97 8.000 8.000 8.159 -0.159 19286 5469 1 18 . 1 1 98 98 SER N N 98 114.730 114.730 113.125 1.605 19286 5470 1 18 . 1 1 98 98 SER H H 98 7.580 7.580 7.881 -0.301 19286 5471 1 18 . 1 1 99 99 ASN N N 99 117.230 117.230 116.333 0.897 19286 5472 1 18 . 1 1 99 99 ASN H H 99 8.600 8.600 8.224 0.376 19286 5473 1 18 . 1 1 100 100 ILE N N 100 124.250 124.250 115.130 9.120 19286 5474 1 18 . 1 1 100 100 ILE H H 100 7.520 7.520 8.012 -0.492 19286 5475 1 18 . 1 1 102 102 LEU N N 102 121.060 121.060 120.566 0.494 19286 5476 1 18 . 1 1 102 102 LEU H H 102 7.870 7.870 7.299 0.571 19286 5477 1 18 . 1 1 103 103 LEU N N 103 126.970 126.970 121.782 5.188 19286 5478 1 18 . 1 1 103 103 LEU HA H 103 4.620 4.620 4.557 0.063 19286 5479 1 18 . 1 1 103 103 LEU CA C 103 54.690 54.690 54.239 0.451 19286 5480 1 18 . 1 1 103 103 LEU H H 103 9.080 9.080 8.003 1.077 19286 5481 1 18 . 1 1 104 104 THR N N 104 118.430 118.430 116.414 2.016 19286 5482 1 18 . 1 1 104 104 THR HA H 104 4.760 4.760 4.276 0.484 19286 5483 1 18 . 1 1 104 104 THR CA C 104 63.440 63.440 64.215 -0.775 19286 5484 1 18 . 1 1 104 104 THR H H 104 8.430 8.430 8.326 0.104 19286 5485 1 18 . 1 1 105 105 LYS N N 105 122.030 122.030 117.492 4.538 19286 5486 1 18 . 1 1 105 105 LYS HA H 105 4.290 4.290 4.246 0.044 19286 5487 1 18 . 1 1 105 105 LYS CA C 105 54.690 54.690 55.078 -0.388 19286 5488 1 18 . 1 1 105 105 LYS H H 105 8.170 8.170 8.183 -0.013 19286 5489 1 18 . 1 1 107 107 PHE N N 107 118.490 118.490 114.926 3.564 19286 5490 1 18 . 1 1 107 107 PHE H H 107 7.470 7.470 7.829 -0.359 19286 5491 1 18 . 1 1 109 109 ASP N N 109 124.810 124.810 119.694 5.116 19286 5492 1 18 . 1 1 109 109 ASP HA H 109 4.710 4.710 4.280 0.430 19286 5493 1 18 . 1 1 109 109 ASP H H 109 9.130 9.130 8.768 0.362 19286 5494 1 18 . 1 1 110 110 SER HA H 110 4.270 4.270 4.286 -0.016 19286 5495 1 18 . 1 1 110 110 SER CA C 110 59.690 59.690 60.531 -0.841 19286 5496 1 18 . 1 1 111 111 GLU N N 111 123.780 123.780 121.252 2.528 19286 5497 1 18 . 1 1 111 111 GLU HA H 111 4.060 4.060 4.062 -0.002 19286 5498 1 18 . 1 1 111 111 GLU CA C 111 58.440 58.440 59.412 -0.972 19286 5499 1 18 . 1 1 111 111 GLU H H 111 7.410 7.410 8.863 -1.453 19286 5500 1 18 . 1 1 112 112 LEU N N 112 120.180 120.180 120.016 0.164 19286 5501 1 18 . 1 1 112 112 LEU HA H 112 3.900 3.900 4.044 -0.144 19286 5502 1 18 . 1 1 112 112 LEU CA C 112 58.440 58.440 58.428 0.012 19286 5503 1 18 . 1 1 112 112 LEU H H 112 7.670 7.670 7.818 -0.148 19286 5504 1 18 . 1 1 113 113 GLU N N 113 118.380 118.380 119.375 -0.995 19286 5505 1 18 . 1 1 113 113 GLU HA H 113 3.730 3.730 3.951 -0.221 19286 5506 1 18 . 1 1 113 113 GLU CA C 113 60.940 60.940 59.443 1.497 19286 5507 1 18 . 1 1 113 113 GLU H H 113 8.530 8.530 8.098 0.432 19286 5508 1 18 . 1 1 114 114 ALA N N 114 117.790 117.790 121.008 -3.218 19286 5509 1 18 . 1 1 114 114 ALA HA H 114 4.140 4.140 4.107 0.033 19286 5510 1 18 . 1 1 114 114 ALA CA C 114 55.540 55.540 54.926 0.614 19286 5511 1 18 . 1 1 114 114 ALA CB C 114 18.440 18.440 18.975 -0.535 19286 5512 1 18 . 1 1 114 114 ALA H H 114 7.480 7.480 7.827 -0.347 19286 5513 1 18 . 1 1 115 115 VAL N N 115 116.000 116.000 115.958 0.042 19286 5514 1 18 . 1 1 115 115 VAL HA H 115 4.030 4.030 4.111 -0.081 19286 5515 1 18 . 1 1 115 115 VAL CA C 115 65.940 65.940 64.418 1.522 19286 5516 1 18 . 1 1 115 115 VAL H H 115 7.540 7.540 7.907 -0.367 19286 5517 1 18 . 1 1 116 116 LEU HA H 116 4.280 4.280 4.090 0.190 19286 5518 1 18 . 1 1 116 116 LEU CA C 116 57.570 57.570 58.123 -0.553 19286 5519 1 18 . 1 1 117 117 VAL N N 117 119.140 119.140 115.704 3.436 19286 5520 1 18 . 1 1 117 117 VAL H H 117 8.200 8.200 7.521 0.679 19286 5521 1 18 . 1 1 120 120 SER N N 120 115.730 115.730 114.151 1.579 19286 5522 1 18 . 1 1 120 120 SER H H 120 7.780 7.780 7.710 0.070 19286 5523 1 18 . 1 1 121 121 LYS N N 121 120.870 120.870 122.164 -1.294 19286 5524 1 18 . 1 1 121 121 LYS H H 121 7.540 7.540 7.914 -0.374 19286 5525 1 18 . 1 1 122 122 GLU N N 122 120.160 120.160 120.595 -0.435 19286 5526 1 18 . 1 1 122 122 GLU H H 122 8.140 8.140 8.502 -0.362 19286 5527 1 19 . 1 1 4 4 MET N N 4 121.520 121.520 120.544 0.976 19286 5528 1 19 . 1 1 4 4 MET H H 4 8.450 8.450 8.265 0.185 19286 5529 1 19 . 1 1 5 5 THR N N 5 115.270 115.270 110.032 5.238 19286 5530 1 19 . 1 1 5 5 THR H H 5 8.090 8.090 8.177 -0.087 19286 5531 1 19 . 1 1 6 6 GLU N N 6 123.580 123.580 120.245 3.335 19286 5532 1 19 . 1 1 6 6 GLU H H 6 8.430 8.430 8.557 -0.127 19286 5533 1 19 . 1 1 7 7 ARG N N 7 120.850 120.850 120.409 0.441 19286 5534 1 19 . 1 1 7 7 ARG H H 7 8.030 8.030 8.486 -0.456 19286 5535 1 19 . 1 1 8 8 ARG N N 8 125.410 125.410 118.030 7.380 19286 5536 1 19 . 1 1 8 8 ARG HA H 8 4.370 4.370 4.202 0.168 19286 5537 1 19 . 1 1 8 8 ARG H H 8 8.310 8.310 7.885 0.425 19286 5538 1 19 . 1 1 9 9 LEU N N 9 130.330 130.330 121.479 8.851 19286 5539 1 19 . 1 1 9 9 LEU HA H 9 4.610 4.610 4.715 -0.105 19286 5540 1 19 . 1 1 9 9 LEU H H 9 11.100 11.100 7.441 3.659 19286 5541 1 19 . 1 1 10 10 ARG N N 10 121.420 121.420 121.688 -0.268 19286 5542 1 19 . 1 1 10 10 ARG HA H 10 5.010 5.010 4.689 0.321 19286 5543 1 19 . 1 1 10 10 ARG CA C 10 55.940 55.940 54.333 1.607 19286 5544 1 19 . 1 1 10 10 ARG H H 10 9.620 9.620 8.423 1.197 19286 5545 1 19 . 1 1 11 11 VAL N N 11 125.110 125.110 120.710 4.400 19286 5546 1 19 . 1 1 11 11 VAL HA H 11 4.970 4.970 4.520 0.450 19286 5547 1 19 . 1 1 11 11 VAL H H 11 9.210 9.210 8.376 0.834 19286 5548 1 19 . 1 1 12 12 LEU N N 12 130.050 130.050 130.278 -0.228 19286 5549 1 19 . 1 1 12 12 LEU HA H 12 4.780 4.780 4.582 0.198 19286 5550 1 19 . 1 1 12 12 LEU H H 12 8.260 8.260 9.319 -1.059 19286 5551 1 19 . 1 1 13 13 VAL N N 13 128.060 128.060 125.963 2.097 19286 5552 1 19 . 1 1 13 13 VAL HA H 13 4.610 4.610 4.393 0.217 19286 5553 1 19 . 1 1 13 13 VAL H H 13 8.330 8.330 8.052 0.278 19286 5554 1 19 . 1 1 14 14 VAL N N 14 128.470 128.470 120.051 8.419 19286 5555 1 19 . 1 1 14 14 VAL HA H 14 4.700 4.700 4.881 -0.181 19286 5556 1 19 . 1 1 14 14 VAL H H 14 8.840 8.840 9.040 -0.200 19286 5557 1 19 . 1 1 15 15 GLU N N 15 124.840 124.840 123.794 1.046 19286 5558 1 19 . 1 1 15 15 GLU HA H 15 4.620 4.620 4.712 -0.092 19286 5559 1 19 . 1 1 15 15 GLU H H 15 7.950 7.950 8.430 -0.480 19286 5560 1 19 . 1 1 16 16 ASP N N 16 125.840 125.840 117.956 7.884 19286 5561 1 19 . 1 1 16 16 ASP HA H 16 4.540 4.540 4.481 0.059 19286 5562 1 19 . 1 1 16 16 ASP H H 16 9.360 9.360 8.782 0.578 19286 5563 1 19 . 1 1 17 17 GLU HA H 17 4.290 4.290 4.620 -0.330 19286 5564 1 19 . 1 1 17 17 GLU CA C 17 55.540 55.540 54.486 1.054 19286 5565 1 19 . 1 1 18 18 SER N N 18 124.990 124.990 114.725 10.265 19286 5566 1 19 . 1 1 18 18 SER HA H 18 4.610 4.610 4.525 0.085 19286 5567 1 19 . 1 1 18 18 SER H H 18 8.820 8.820 8.728 0.092 19286 5568 1 19 . 1 1 19 19 MET N N 19 119.940 119.940 119.876 0.064 19286 5569 1 19 . 1 1 19 19 MET H H 19 9.030 9.030 8.097 0.933 19286 5570 1 19 . 1 1 20 20 ILE N N 20 118.700 118.700 117.766 0.934 19286 5571 1 19 . 1 1 20 20 ILE H H 20 7.200 7.200 7.652 -0.452 19286 5572 1 19 . 1 1 21 21 ALA N N 21 123.500 123.500 123.709 -0.209 19286 5573 1 19 . 1 1 21 21 ALA CB C 21 18.860 18.860 18.447 0.413 19286 5574 1 19 . 1 1 21 21 ALA H H 21 8.370 8.370 8.053 0.317 19286 5575 1 19 . 1 1 22 22 MET N N 22 115.790 115.790 118.782 -2.992 19286 5576 1 19 . 1 1 22 22 MET HA H 22 4.160 4.160 4.208 -0.048 19286 5577 1 19 . 1 1 22 22 MET CA C 22 58.440 58.440 57.631 0.809 19286 5578 1 19 . 1 1 22 22 MET H H 22 8.090 8.090 7.806 0.284 19286 5579 1 19 . 1 1 23 23 LEU N N 23 120.400 120.400 119.362 1.038 19286 5580 1 19 . 1 1 23 23 LEU H H 23 7.490 7.490 7.602 -0.112 19286 5581 1 19 . 1 1 24 24 ILE N N 24 120.840 120.840 120.743 0.097 19286 5582 1 19 . 1 1 24 24 ILE HA H 24 3.520 3.520 3.809 -0.289 19286 5583 1 19 . 1 1 24 24 ILE CA C 24 67.190 67.190 64.261 2.929 19286 5584 1 19 . 1 1 24 24 ILE CB C 24 38.440 38.440 38.838 -0.398 19286 5585 1 19 . 1 1 24 24 ILE H H 24 8.630 8.630 8.866 -0.236 19286 5586 1 19 . 1 1 25 25 GLU N N 25 119.380 119.380 119.014 0.366 19286 5587 1 19 . 1 1 25 25 GLU H H 25 8.550 8.550 7.845 0.705 19286 5588 1 19 . 1 1 26 26 ASP N N 26 119.700 119.700 117.480 2.220 19286 5589 1 19 . 1 1 26 26 ASP H H 26 8.890 8.890 7.770 1.120 19286 5590 1 19 . 1 1 27 27 THR N N 27 117.460 117.460 116.675 0.785 19286 5591 1 19 . 1 1 27 27 THR HA H 27 4.270 4.270 4.023 0.247 19286 5592 1 19 . 1 1 27 27 THR CA C 27 68.890 68.890 65.682 3.208 19286 5593 1 19 . 1 1 27 27 THR H H 27 8.100 8.100 7.425 0.675 19286 5594 1 19 . 1 1 28 28 LEU N N 28 120.440 120.440 122.021 -1.581 19286 5595 1 19 . 1 1 28 28 LEU HA H 28 3.920 3.920 3.165 0.755 19286 5596 1 19 . 1 1 28 28 LEU CA C 28 58.440 58.440 57.585 0.855 19286 5597 1 19 . 1 1 28 28 LEU H H 28 8.610 8.610 8.283 0.327 19286 5598 1 19 . 1 1 29 29 CYS N N 29 116.920 116.920 116.061 0.859 19286 5599 1 19 . 1 1 29 29 CYS H H 29 8.180 8.180 7.772 0.408 19286 5600 1 19 . 1 1 30 30 GLU N N 30 122.820 122.820 119.924 2.896 19286 5601 1 19 . 1 1 30 30 GLU HA H 30 4.160 4.160 4.182 -0.022 19286 5602 1 19 . 1 1 30 30 GLU CA C 30 59.690 59.690 58.236 1.454 19286 5603 1 19 . 1 1 30 30 GLU H H 30 8.060 8.060 7.558 0.502 19286 5604 1 19 . 1 1 31 31 LEU N N 31 116.980 116.980 118.284 -1.304 19286 5605 1 19 . 1 1 31 31 LEU H H 31 7.660 7.660 8.213 -0.553 19286 5606 1 19 . 1 1 32 32 GLY N N 32 105.410 105.410 103.622 1.788 19286 5607 1 19 . 1 1 32 32 GLY H H 32 7.600 7.600 7.775 -0.175 19286 5608 1 19 . 1 1 33 33 HIS N N 33 119.380 119.380 116.821 2.559 19286 5609 1 19 . 1 1 33 33 HIS HA H 33 5.130 5.130 4.354 0.776 19286 5610 1 19 . 1 1 33 33 HIS CA C 33 56.350 56.350 56.788 -0.438 19286 5611 1 19 . 1 1 33 33 HIS CB C 33 33.470 33.470 29.855 3.615 19286 5612 1 19 . 1 1 33 33 HIS H H 33 7.780 7.780 7.099 0.681 19286 5613 1 19 . 1 1 34 34 GLU N N 34 117.930 117.930 120.224 -2.294 19286 5614 1 19 . 1 1 34 34 GLU H H 34 8.870 8.870 8.231 0.639 19286 5615 1 19 . 1 1 35 35 VAL N N 35 125.860 125.860 115.716 10.144 19286 5616 1 19 . 1 1 35 35 VAL HA H 35 4.710 4.710 4.499 0.211 19286 5617 1 19 . 1 1 35 35 VAL H H 35 8.870 8.870 8.089 0.781 19286 5618 1 19 . 1 1 36 36 ALA N N 36 132.950 132.950 129.888 3.062 19286 5619 1 19 . 1 1 36 36 ALA HA H 36 4.200 4.200 4.615 -0.415 19286 5620 1 19 . 1 1 36 36 ALA CB C 36 23.860 23.860 20.200 3.660 19286 5621 1 19 . 1 1 36 36 ALA H H 36 9.110 9.110 8.386 0.724 19286 5622 1 19 . 1 1 37 37 ALA N N 37 115.420 115.420 119.941 -4.521 19286 5623 1 19 . 1 1 37 37 ALA H H 37 7.480 7.480 7.974 -0.494 19286 5624 1 19 . 1 1 38 38 THR N N 38 112.980 112.980 115.054 -2.074 19286 5625 1 19 . 1 1 38 38 THR H H 38 8.170 8.170 8.305 -0.135 19286 5626 1 19 . 1 1 39 39 ALA CB C 39 22.610 22.610 18.898 3.712 19286 5627 1 19 . 1 1 40 40 SER N N 40 113.630 113.630 116.768 -3.138 19286 5628 1 19 . 1 1 40 40 SER HA H 40 4.450 4.450 4.473 -0.023 19286 5629 1 19 . 1 1 40 40 SER CA C 40 57.480 57.480 59.014 -1.534 19286 5630 1 19 . 1 1 40 40 SER H H 40 8.980 8.980 8.756 0.224 19286 5631 1 19 . 1 1 41 41 ARG N N 41 117.890 117.890 126.667 -8.777 19286 5632 1 19 . 1 1 41 41 ARG CB C 41 34.110 34.110 32.780 1.330 19286 5633 1 19 . 1 1 41 41 ARG H H 41 7.340 7.340 8.253 -0.913 19286 5634 1 19 . 1 1 42 42 MET N N 42 123.460 123.460 124.355 -0.895 19286 5635 1 19 . 1 1 42 42 MET HA H 42 4.040 4.040 3.632 0.408 19286 5636 1 19 . 1 1 42 42 MET H H 42 9.340 9.340 8.806 0.534 19286 5637 1 19 . 1 1 43 43 GLN N N 43 117.010 117.010 119.128 -2.118 19286 5638 1 19 . 1 1 43 43 GLN H H 43 8.940 8.940 8.667 0.273 19286 5639 1 19 . 1 1 44 44 GLU N N 44 117.430 117.430 119.744 -2.314 19286 5640 1 19 . 1 1 44 44 GLU CB C 44 26.690 26.690 29.308 -2.618 19286 5641 1 19 . 1 1 44 44 GLU H H 44 7.160 7.160 8.514 -1.354 19286 5642 1 19 . 1 1 45 45 ALA N N 45 121.060 121.060 122.306 -1.246 19286 5643 1 19 . 1 1 45 45 ALA HA H 45 3.680 3.680 3.980 -0.300 19286 5644 1 19 . 1 1 45 45 ALA CA C 45 55.940 55.940 55.258 0.682 19286 5645 1 19 . 1 1 45 45 ALA CB C 45 20.940 20.940 18.400 2.540 19286 5646 1 19 . 1 1 45 45 ALA H H 45 8.220 8.220 8.207 0.013 19286 5647 1 19 . 1 1 46 46 LEU N N 46 116.750 116.750 118.942 -2.192 19286 5648 1 19 . 1 1 46 46 LEU H H 46 8.350 8.350 7.779 0.571 19286 5649 1 19 . 1 1 47 47 ASP N N 47 117.760 117.760 117.999 -0.239 19286 5650 1 19 . 1 1 47 47 ASP H H 47 7.400 7.400 7.718 -0.318 19286 5651 1 19 . 1 1 48 48 ILE N N 48 118.660 118.660 116.050 2.610 19286 5652 1 19 . 1 1 48 48 ILE H H 48 8.220 8.220 7.784 0.436 19286 5653 1 19 . 1 1 49 49 ALA N N 49 123.150 123.150 123.867 -0.717 19286 5654 1 19 . 1 1 49 49 ALA HA H 49 4.040 4.040 4.069 -0.029 19286 5655 1 19 . 1 1 49 49 ALA CA C 49 55.940 55.940 54.081 1.859 19286 5656 1 19 . 1 1 49 49 ALA CB C 49 18.120 18.120 18.946 -0.826 19286 5657 1 19 . 1 1 49 49 ALA H H 49 8.610 8.610 7.661 0.949 19286 5658 1 19 . 1 1 50 50 ARG N N 50 113.110 113.110 118.308 -5.198 19286 5659 1 19 . 1 1 50 50 ARG CB C 50 26.570 26.570 29.975 -3.405 19286 5660 1 19 . 1 1 50 50 ARG H H 50 7.440 7.440 8.360 -0.920 19286 5661 1 19 . 1 1 51 51 LYS N N 51 114.910 114.910 117.640 -2.730 19286 5662 1 19 . 1 1 51 51 LYS H H 51 7.550 7.550 7.546 0.004 19286 5663 1 19 . 1 1 52 52 GLY N N 52 108.150 108.150 107.423 0.727 19286 5664 1 19 . 1 1 52 52 GLY H H 52 8.920 8.920 8.288 0.632 19286 5665 1 19 . 1 1 53 53 GLN N N 53 120.450 120.450 119.216 1.234 19286 5666 1 19 . 1 1 53 53 GLN H H 53 8.320 8.320 7.702 0.618 19286 5667 1 19 . 1 1 54 54 PHE N N 54 119.090 119.090 117.267 1.823 19286 5668 1 19 . 1 1 54 54 PHE H H 54 7.180 7.180 7.556 -0.376 19286 5669 1 19 . 1 1 55 55 ASP N N 55 117.290 117.290 119.999 -2.709 19286 5670 1 19 . 1 1 55 55 ASP H H 55 9.330 9.330 8.241 1.089 19286 5671 1 19 . 1 1 56 56 ILE N N 56 109.550 109.550 116.812 -7.262 19286 5672 1 19 . 1 1 56 56 ILE HA H 56 5.220 5.220 4.430 0.790 19286 5673 1 19 . 1 1 56 56 ILE CA C 56 59.690 59.690 60.856 -1.166 19286 5674 1 19 . 1 1 56 56 ILE H H 56 7.690 7.690 8.287 -0.597 19286 5675 1 19 . 1 1 57 57 ALA N N 57 122.390 122.390 127.129 -4.739 19286 5676 1 19 . 1 1 57 57 ALA HA H 57 5.480 5.480 5.402 0.078 19286 5677 1 19 . 1 1 57 57 ALA CA C 57 50.940 50.940 51.592 -0.652 19286 5678 1 19 . 1 1 57 57 ALA H H 57 8.000 8.000 8.570 -0.570 19286 5679 1 19 . 1 1 59 59 ILE N N 59 122.950 122.950 128.875 -5.925 19286 5680 1 19 . 1 1 59 59 ILE HA H 59 4.990 4.990 4.595 0.395 19286 5681 1 19 . 1 1 59 59 ILE CA C 59 57.190 57.190 59.731 -2.541 19286 5682 1 19 . 1 1 59 59 ILE H H 59 8.930 8.930 7.725 1.205 19286 5683 1 19 . 1 1 60 60 ASP N N 60 127.320 127.320 123.562 3.758 19286 5684 1 19 . 1 1 60 60 ASP HA H 60 5.100 5.100 4.490 0.610 19286 5685 1 19 . 1 1 60 60 ASP CA C 60 55.100 55.100 53.894 1.206 19286 5686 1 19 . 1 1 60 60 ASP H H 60 8.360 8.360 7.447 0.913 19286 5687 1 19 . 1 1 61 61 VAL N N 61 121.040 121.040 117.453 3.587 19286 5688 1 19 . 1 1 61 61 VAL HA H 61 3.700 3.700 3.777 -0.077 19286 5689 1 19 . 1 1 61 61 VAL CA C 61 64.630 64.630 62.948 1.682 19286 5690 1 19 . 1 1 61 61 VAL CB C 61 31.590 31.590 31.088 0.502 19286 5691 1 19 . 1 1 61 61 VAL H H 61 8.540 8.540 8.487 0.053 19286 5692 1 19 . 1 1 63 63 LEU N N 63 121.830 121.830 120.687 1.143 19286 5693 1 19 . 1 1 63 63 LEU HA H 63 4.400 4.400 4.536 -0.136 19286 5694 1 19 . 1 1 63 63 LEU CA C 63 52.810 52.810 54.333 -1.522 19286 5695 1 19 . 1 1 63 63 LEU H H 63 8.960 8.960 7.386 1.574 19286 5696 1 19 . 1 1 64 64 ASP N N 64 128.450 128.450 119.489 8.961 19286 5697 1 19 . 1 1 64 64 ASP HA H 64 4.290 4.290 4.432 -0.142 19286 5698 1 19 . 1 1 64 64 ASP CA C 64 55.940 55.940 55.239 0.701 19286 5699 1 19 . 1 1 64 64 ASP CB C 64 40.390 40.390 40.974 -0.584 19286 5700 1 19 . 1 1 64 64 ASP H H 64 9.840 9.840 8.600 1.240 19286 5701 1 19 . 1 1 65 65 GLY N N 65 133.580 133.580 106.232 27.348 19286 5702 1 19 . 1 1 65 65 GLY H H 65 8.400 8.400 7.941 0.459 19286 5703 1 19 . 1 1 66 66 GLU N N 66 121.110 121.110 119.263 1.847 19286 5704 1 19 . 1 1 66 66 GLU HA H 66 4.920 4.920 4.021 0.899 19286 5705 1 19 . 1 1 66 66 GLU CA C 66 53.100 53.100 56.582 -3.482 19286 5706 1 19 . 1 1 66 66 GLU H H 66 7.790 7.790 8.455 -0.665 19286 5707 1 19 . 1 1 69 69 TYR N N 69 120.020 120.020 118.631 1.389 19286 5708 1 19 . 1 1 69 69 TYR HA H 69 4.410 4.410 4.139 0.271 19286 5709 1 19 . 1 1 69 69 TYR CA C 69 60.970 60.970 57.597 3.373 19286 5710 1 19 . 1 1 69 69 TYR H H 69 6.480 6.480 7.465 -0.985 19286 5711 1 19 . 1 1 71 71 VAL N N 71 115.000 115.000 121.739 -6.739 19286 5712 1 19 . 1 1 71 71 VAL H H 71 7.640 7.640 7.744 -0.104 19286 5713 1 19 . 1 1 72 72 ALA N N 72 122.000 122.000 122.664 -0.664 19286 5714 1 19 . 1 1 72 72 ALA CB C 72 20.110 20.110 18.049 2.061 19286 5715 1 19 . 1 1 72 72 ALA H H 72 6.890 6.890 7.857 -0.967 19286 5716 1 19 . 1 1 73 73 ASP N N 73 116.020 116.020 118.729 -2.709 19286 5717 1 19 . 1 1 73 73 ASP H H 73 8.610 8.610 7.573 1.037 19286 5718 1 19 . 1 1 74 74 ILE N N 74 120.950 120.950 120.058 0.892 19286 5719 1 19 . 1 1 74 74 ILE H H 74 7.060 7.060 7.463 -0.403 19286 5720 1 19 . 1 1 75 75 LEU N N 75 119.760 119.760 119.302 0.458 19286 5721 1 19 . 1 1 75 75 LEU H H 75 7.460 7.460 8.556 -1.096 19286 5722 1 19 . 1 1 76 76 ALA N N 76 121.160 121.160 121.166 -0.006 19286 5723 1 19 . 1 1 76 76 ALA H H 76 8.910 8.910 7.667 1.243 19286 5724 1 19 . 1 1 77 77 GLU N N 77 120.340 120.340 117.307 3.033 19286 5725 1 19 . 1 1 77 77 GLU H H 77 7.800 7.800 7.729 0.071 19286 5726 1 19 . 1 1 78 78 ARG N N 78 116.210 116.210 115.077 1.133 19286 5727 1 19 . 1 1 78 78 ARG H H 78 7.740 7.740 7.412 0.328 19286 5728 1 19 . 1 1 79 79 ASN N N 79 116.230 116.230 119.860 -3.630 19286 5729 1 19 . 1 1 79 79 ASN H H 79 8.030 8.030 7.628 0.402 19286 5730 1 19 . 1 1 80 80 VAL N N 80 121.200 121.200 121.033 0.167 19286 5731 1 19 . 1 1 80 80 VAL H H 80 8.200 8.200 7.716 0.484 19286 5732 1 19 . 1 1 82 82 PHE N N 82 113.440 113.440 118.176 -4.736 19286 5733 1 19 . 1 1 82 82 PHE HA H 82 5.690 5.690 4.993 0.697 19286 5734 1 19 . 1 1 82 82 PHE CA C 82 55.480 55.480 55.816 -0.336 19286 5735 1 19 . 1 1 82 82 PHE CB C 82 43.610 43.610 40.406 3.204 19286 5736 1 19 . 1 1 82 82 PHE H H 82 7.310 7.310 8.022 -0.712 19286 5737 1 19 . 1 1 83 83 ILE N N 83 115.230 115.230 118.403 -3.173 19286 5738 1 19 . 1 1 83 83 ILE HA H 83 4.260 4.260 3.499 0.761 19286 5739 1 19 . 1 1 83 83 ILE CA C 83 59.690 59.690 59.716 -0.026 19286 5740 1 19 . 1 1 83 83 ILE H H 83 7.880 7.880 7.899 -0.019 19286 5741 1 19 . 1 1 84 84 PHE N N 84 122.680 122.680 123.953 -1.273 19286 5742 1 19 . 1 1 84 84 PHE HA H 84 6.190 6.190 4.746 1.444 19286 5743 1 19 . 1 1 84 84 PHE CA C 84 55.470 55.470 57.318 -1.848 19286 5744 1 19 . 1 1 84 84 PHE H H 84 8.360 8.360 8.489 -0.129 19286 5745 1 19 . 1 1 85 85 ALA N N 85 123.760 123.760 123.526 0.234 19286 5746 1 19 . 1 1 85 85 ALA HA H 85 5.540 5.540 4.919 0.621 19286 5747 1 19 . 1 1 85 85 ALA CA C 85 50.940 50.940 52.047 -1.107 19286 5748 1 19 . 1 1 85 85 ALA H H 85 8.570 8.570 7.675 0.895 19286 5749 1 19 . 1 1 86 86 THR N N 86 114.260 114.260 115.212 -0.952 19286 5750 1 19 . 1 1 86 86 THR HA H 86 4.290 4.290 4.735 -0.445 19286 5751 1 19 . 1 1 86 86 THR CA C 86 56.720 56.720 58.952 -2.232 19286 5752 1 19 . 1 1 86 86 THR CB C 86 69.610 69.610 70.645 -1.035 19286 5753 1 19 . 1 1 86 86 THR H H 86 8.640 8.640 7.630 1.010 19286 5754 1 19 . 1 1 87 87 GLY N N 87 112.830 112.830 109.657 3.173 19286 5755 1 19 . 1 1 87 87 GLY H H 87 8.590 8.590 8.500 0.090 19286 5756 1 19 . 1 1 89 89 GLY N N 89 111.750 111.750 110.295 1.455 19286 5757 1 19 . 1 1 89 89 GLY H H 89 8.300 8.300 6.881 1.419 19286 5758 1 19 . 1 1 90 90 SER CA C 90 57.970 57.970 60.360 -2.390 19286 5759 1 19 . 1 1 90 90 SER H H 90 4.990 4.990 8.105 -3.115 19286 5760 1 19 . 1 1 91 91 LYS N N 91 122.950 122.950 125.145 -2.195 19286 5761 1 19 . 1 1 91 91 LYS H H 91 8.180 8.180 8.624 -0.444 19286 5762 1 19 . 1 1 92 92 GLY N N 92 109.390 109.390 108.093 1.297 19286 5763 1 19 . 1 1 92 92 GLY H H 92 8.320 8.320 8.351 -0.031 19286 5764 1 19 . 1 1 93 93 LEU N N 93 121.760 121.760 118.527 3.233 19286 5765 1 19 . 1 1 93 93 LEU CB C 93 42.970 42.970 42.142 0.829 19286 5766 1 19 . 1 1 93 93 LEU H H 93 7.910 7.910 7.603 0.307 19286 5767 1 19 . 1 1 94 94 ASP N N 94 122.710 122.710 117.616 5.094 19286 5768 1 19 . 1 1 94 94 ASP H H 94 7.650 7.650 8.109 -0.459 19286 5769 1 19 . 1 1 95 95 THR N N 95 117.650 117.650 111.946 5.704 19286 5770 1 19 . 1 1 95 95 THR H H 95 8.210 8.210 8.044 0.166 19286 5771 1 19 . 1 1 96 96 ARG N N 96 122.360 122.360 121.453 0.907 19286 5772 1 19 . 1 1 96 96 ARG H H 96 8.700 8.700 9.082 -0.382 19286 5773 1 19 . 1 1 97 97 TYR N N 97 117.080 117.080 118.166 -1.086 19286 5774 1 19 . 1 1 97 97 TYR CB C 97 39.220 39.220 38.514 0.706 19286 5775 1 19 . 1 1 97 97 TYR H H 97 8.000 8.000 7.866 0.134 19286 5776 1 19 . 1 1 98 98 SER N N 98 114.730 114.730 113.529 1.201 19286 5777 1 19 . 1 1 98 98 SER H H 98 7.580 7.580 7.746 -0.166 19286 5778 1 19 . 1 1 99 99 ASN N N 99 117.230 117.230 117.202 0.028 19286 5779 1 19 . 1 1 99 99 ASN H H 99 8.600 8.600 8.718 -0.118 19286 5780 1 19 . 1 1 100 100 ILE N N 100 124.250 124.250 111.156 13.094 19286 5781 1 19 . 1 1 100 100 ILE H H 100 7.520 7.520 7.976 -0.456 19286 5782 1 19 . 1 1 102 102 LEU N N 102 121.060 121.060 117.266 3.794 19286 5783 1 19 . 1 1 102 102 LEU H H 102 7.870 7.870 7.498 0.372 19286 5784 1 19 . 1 1 103 103 LEU N N 103 126.970 126.970 114.752 12.218 19286 5785 1 19 . 1 1 103 103 LEU HA H 103 4.620 4.620 4.771 -0.151 19286 5786 1 19 . 1 1 103 103 LEU CA C 103 54.690 54.690 55.066 -0.377 19286 5787 1 19 . 1 1 103 103 LEU H H 103 9.080 9.080 7.873 1.207 19286 5788 1 19 . 1 1 104 104 THR N N 104 118.430 118.430 114.686 3.744 19286 5789 1 19 . 1 1 104 104 THR HA H 104 4.760 4.760 4.585 0.175 19286 5790 1 19 . 1 1 104 104 THR CA C 104 63.440 63.440 61.108 2.332 19286 5791 1 19 . 1 1 104 104 THR H H 104 8.430 8.430 8.256 0.174 19286 5792 1 19 . 1 1 105 105 LYS N N 105 122.030 122.030 119.073 2.957 19286 5793 1 19 . 1 1 105 105 LYS HA H 105 4.290 4.290 4.264 0.026 19286 5794 1 19 . 1 1 105 105 LYS CA C 105 54.690 54.690 57.120 -2.430 19286 5795 1 19 . 1 1 105 105 LYS H H 105 8.170 8.170 8.425 -0.255 19286 5796 1 19 . 1 1 107 107 PHE N N 107 118.490 118.490 117.198 1.292 19286 5797 1 19 . 1 1 107 107 PHE H H 107 7.470 7.470 7.865 -0.395 19286 5798 1 19 . 1 1 109 109 ASP N N 109 124.810 124.810 115.199 9.611 19286 5799 1 19 . 1 1 109 109 ASP HA H 109 4.710 4.710 4.369 0.341 19286 5800 1 19 . 1 1 109 109 ASP H H 109 9.130 9.130 8.840 0.290 19286 5801 1 19 . 1 1 110 110 SER HA H 110 4.270 4.270 4.266 0.004 19286 5802 1 19 . 1 1 110 110 SER CA C 110 59.690 59.690 60.277 -0.587 19286 5803 1 19 . 1 1 111 111 GLU N N 111 123.780 123.780 120.423 3.357 19286 5804 1 19 . 1 1 111 111 GLU HA H 111 4.060 4.060 3.988 0.072 19286 5805 1 19 . 1 1 111 111 GLU CA C 111 58.440 58.440 59.817 -1.377 19286 5806 1 19 . 1 1 111 111 GLU H H 111 7.410 7.410 8.645 -1.235 19286 5807 1 19 . 1 1 112 112 LEU N N 112 120.180 120.180 116.268 3.912 19286 5808 1 19 . 1 1 112 112 LEU HA H 112 3.900 3.900 4.003 -0.103 19286 5809 1 19 . 1 1 112 112 LEU CA C 112 58.440 58.440 58.009 0.431 19286 5810 1 19 . 1 1 112 112 LEU H H 112 7.670 7.670 7.786 -0.116 19286 5811 1 19 . 1 1 113 113 GLU N N 113 118.380 118.380 120.202 -1.822 19286 5812 1 19 . 1 1 113 113 GLU HA H 113 3.730 3.730 3.817 -0.087 19286 5813 1 19 . 1 1 113 113 GLU CA C 113 60.940 60.940 59.383 1.557 19286 5814 1 19 . 1 1 113 113 GLU H H 113 8.530 8.530 7.987 0.543 19286 5815 1 19 . 1 1 114 114 ALA N N 114 117.790 117.790 120.474 -2.684 19286 5816 1 19 . 1 1 114 114 ALA HA H 114 4.140 4.140 4.084 0.056 19286 5817 1 19 . 1 1 114 114 ALA CA C 114 55.540 55.540 55.199 0.341 19286 5818 1 19 . 1 1 114 114 ALA CB C 114 18.440 18.440 18.907 -0.467 19286 5819 1 19 . 1 1 114 114 ALA H H 114 7.480 7.480 7.725 -0.245 19286 5820 1 19 . 1 1 115 115 VAL N N 115 116.000 116.000 113.739 2.261 19286 5821 1 19 . 1 1 115 115 VAL HA H 115 4.030 4.030 4.346 -0.316 19286 5822 1 19 . 1 1 115 115 VAL CA C 115 65.940 65.940 63.206 2.733 19286 5823 1 19 . 1 1 115 115 VAL H H 115 7.540 7.540 7.920 -0.380 19286 5824 1 19 . 1 1 116 116 LEU HA H 116 4.280 4.280 4.462 -0.182 19286 5825 1 19 . 1 1 116 116 LEU CA C 116 57.570 57.570 56.252 1.317 19286 5826 1 19 . 1 1 117 117 VAL N N 117 119.140 119.140 120.152 -1.012 19286 5827 1 19 . 1 1 117 117 VAL H H 117 8.200 8.200 7.766 0.434 19286 5828 1 19 . 1 1 120 120 SER N N 120 115.730 115.730 113.610 2.120 19286 5829 1 19 . 1 1 120 120 SER H H 120 7.780 7.780 7.779 0.001 19286 5830 1 19 . 1 1 121 121 LYS N N 121 120.870 120.870 122.008 -1.138 19286 5831 1 19 . 1 1 121 121 LYS H H 121 7.540 7.540 7.408 0.132 19286 5832 1 19 . 1 1 122 122 GLU N N 122 120.160 120.160 116.984 3.176 19286 5833 1 19 . 1 1 122 122 GLU H H 122 8.140 8.140 7.931 0.209 19286 5834 1 20 . 1 1 4 4 MET N N 4 121.520 121.520 118.204 3.316 19286 5835 1 20 . 1 1 4 4 MET H H 4 8.450 8.450 8.459 -0.009 19286 5836 1 20 . 1 1 5 5 THR N N 5 115.270 115.270 110.074 5.196 19286 5837 1 20 . 1 1 5 5 THR H H 5 8.090 8.090 7.924 0.166 19286 5838 1 20 . 1 1 6 6 GLU N N 6 123.580 123.580 119.849 3.731 19286 5839 1 20 . 1 1 6 6 GLU H H 6 8.430 8.430 8.687 -0.257 19286 5840 1 20 . 1 1 7 7 ARG N N 7 120.850 120.850 118.333 2.517 19286 5841 1 20 . 1 1 7 7 ARG H H 7 8.030 8.030 7.438 0.592 19286 5842 1 20 . 1 1 8 8 ARG N N 8 125.410 125.410 120.330 5.080 19286 5843 1 20 . 1 1 8 8 ARG HA H 8 4.370 4.370 4.489 -0.119 19286 5844 1 20 . 1 1 8 8 ARG H H 8 8.310 8.310 8.424 -0.114 19286 5845 1 20 . 1 1 9 9 LEU N N 9 130.330 130.330 123.422 6.908 19286 5846 1 20 . 1 1 9 9 LEU HA H 9 4.610 4.610 4.263 0.347 19286 5847 1 20 . 1 1 9 9 LEU H H 9 11.100 11.100 8.482 2.618 19286 5848 1 20 . 1 1 10 10 ARG N N 10 121.420 121.420 124.060 -2.640 19286 5849 1 20 . 1 1 10 10 ARG HA H 10 5.010 5.010 4.579 0.431 19286 5850 1 20 . 1 1 10 10 ARG CA C 10 55.940 55.940 53.816 2.124 19286 5851 1 20 . 1 1 10 10 ARG H H 10 9.620 9.620 8.190 1.430 19286 5852 1 20 . 1 1 11 11 VAL N N 11 125.110 125.110 119.425 5.685 19286 5853 1 20 . 1 1 11 11 VAL HA H 11 4.970 4.970 4.374 0.596 19286 5854 1 20 . 1 1 11 11 VAL H H 11 9.210 9.210 8.458 0.752 19286 5855 1 20 . 1 1 12 12 LEU N N 12 130.050 130.050 129.440 0.610 19286 5856 1 20 . 1 1 12 12 LEU HA H 12 4.780 4.780 4.695 0.085 19286 5857 1 20 . 1 1 12 12 LEU H H 12 8.260 8.260 9.246 -0.986 19286 5858 1 20 . 1 1 13 13 VAL N N 13 128.060 128.060 125.241 2.819 19286 5859 1 20 . 1 1 13 13 VAL HA H 13 4.610 4.610 4.297 0.313 19286 5860 1 20 . 1 1 13 13 VAL H H 13 8.330 8.330 8.212 0.118 19286 5861 1 20 . 1 1 14 14 VAL N N 14 128.470 128.470 123.039 5.431 19286 5862 1 20 . 1 1 14 14 VAL HA H 14 4.700 4.700 4.600 0.100 19286 5863 1 20 . 1 1 14 14 VAL H H 14 8.840 8.840 9.124 -0.284 19286 5864 1 20 . 1 1 15 15 GLU N N 15 124.840 124.840 128.094 -3.254 19286 5865 1 20 . 1 1 15 15 GLU HA H 15 4.620 4.620 4.711 -0.091 19286 5866 1 20 . 1 1 15 15 GLU H H 15 7.950 7.950 8.632 -0.682 19286 5867 1 20 . 1 1 16 16 ASP N N 16 125.840 125.840 124.431 1.409 19286 5868 1 20 . 1 1 16 16 ASP HA H 16 4.540 4.540 4.400 0.140 19286 5869 1 20 . 1 1 16 16 ASP H H 16 9.360 9.360 8.787 0.573 19286 5870 1 20 . 1 1 17 17 GLU HA H 17 4.290 4.290 4.376 -0.086 19286 5871 1 20 . 1 1 17 17 GLU CA C 17 55.540 55.540 56.247 -0.707 19286 5872 1 20 . 1 1 18 18 SER N N 18 124.990 124.990 117.589 7.401 19286 5873 1 20 . 1 1 18 18 SER HA H 18 4.610 4.610 4.523 0.087 19286 5874 1 20 . 1 1 18 18 SER H H 18 8.820 8.820 8.743 0.077 19286 5875 1 20 . 1 1 19 19 MET N N 19 119.940 119.940 122.640 -2.700 19286 5876 1 20 . 1 1 19 19 MET H H 19 9.030 9.030 8.085 0.945 19286 5877 1 20 . 1 1 20 20 ILE N N 20 118.700 118.700 117.799 0.901 19286 5878 1 20 . 1 1 20 20 ILE H H 20 7.200 7.200 7.940 -0.740 19286 5879 1 20 . 1 1 21 21 ALA N N 21 123.500 123.500 122.594 0.906 19286 5880 1 20 . 1 1 21 21 ALA CB C 21 18.860 18.860 18.308 0.552 19286 5881 1 20 . 1 1 21 21 ALA H H 21 8.370 8.370 7.653 0.717 19286 5882 1 20 . 1 1 22 22 MET N N 22 115.790 115.790 118.539 -2.749 19286 5883 1 20 . 1 1 22 22 MET HA H 22 4.160 4.160 4.250 -0.090 19286 5884 1 20 . 1 1 22 22 MET CA C 22 58.440 58.440 58.590 -0.150 19286 5885 1 20 . 1 1 22 22 MET H H 22 8.090 8.090 7.630 0.460 19286 5886 1 20 . 1 1 23 23 LEU N N 23 120.400 120.400 118.980 1.420 19286 5887 1 20 . 1 1 23 23 LEU H H 23 7.490 7.490 7.544 -0.054 19286 5888 1 20 . 1 1 24 24 ILE N N 24 120.840 120.840 120.473 0.367 19286 5889 1 20 . 1 1 24 24 ILE HA H 24 3.520 3.520 3.972 -0.452 19286 5890 1 20 . 1 1 24 24 ILE CA C 24 67.190 67.190 63.419 3.771 19286 5891 1 20 . 1 1 24 24 ILE CB C 24 38.440 38.440 39.324 -0.884 19286 5892 1 20 . 1 1 24 24 ILE H H 24 8.630 8.630 8.213 0.417 19286 5893 1 20 . 1 1 25 25 GLU N N 25 119.380 119.380 119.169 0.211 19286 5894 1 20 . 1 1 25 25 GLU H H 25 8.550 8.550 7.737 0.813 19286 5895 1 20 . 1 1 26 26 ASP N N 26 119.700 119.700 118.229 1.471 19286 5896 1 20 . 1 1 26 26 ASP H H 26 8.890 8.890 7.844 1.046 19286 5897 1 20 . 1 1 27 27 THR N N 27 117.460 117.460 117.193 0.267 19286 5898 1 20 . 1 1 27 27 THR HA H 27 4.270 4.270 4.116 0.154 19286 5899 1 20 . 1 1 27 27 THR CA C 27 68.890 68.890 65.751 3.139 19286 5900 1 20 . 1 1 27 27 THR H H 27 8.100 8.100 7.577 0.523 19286 5901 1 20 . 1 1 28 28 LEU N N 28 120.440 120.440 123.122 -2.682 19286 5902 1 20 . 1 1 28 28 LEU HA H 28 3.920 3.920 4.228 -0.308 19286 5903 1 20 . 1 1 28 28 LEU CA C 28 58.440 58.440 58.062 0.378 19286 5904 1 20 . 1 1 28 28 LEU H H 28 8.610 8.610 7.911 0.699 19286 5905 1 20 . 1 1 29 29 CYS N N 29 116.920 116.920 117.561 -0.641 19286 5906 1 20 . 1 1 29 29 CYS H H 29 8.180 8.180 7.718 0.462 19286 5907 1 20 . 1 1 30 30 GLU N N 30 122.820 122.820 120.422 2.398 19286 5908 1 20 . 1 1 30 30 GLU HA H 30 4.160 4.160 4.283 -0.123 19286 5909 1 20 . 1 1 30 30 GLU CA C 30 59.690 59.690 58.270 1.420 19286 5910 1 20 . 1 1 30 30 GLU H H 30 8.060 8.060 8.090 -0.030 19286 5911 1 20 . 1 1 31 31 LEU N N 31 116.980 116.980 117.861 -0.881 19286 5912 1 20 . 1 1 31 31 LEU H H 31 7.660 7.660 8.349 -0.689 19286 5913 1 20 . 1 1 32 32 GLY N N 32 105.410 105.410 105.389 0.021 19286 5914 1 20 . 1 1 32 32 GLY H H 32 7.600 7.600 8.051 -0.451 19286 5915 1 20 . 1 1 33 33 HIS N N 33 119.380 119.380 117.428 1.952 19286 5916 1 20 . 1 1 33 33 HIS HA H 33 5.130 5.130 4.219 0.911 19286 5917 1 20 . 1 1 33 33 HIS CA C 33 56.350 56.350 58.512 -2.162 19286 5918 1 20 . 1 1 33 33 HIS CB C 33 33.470 33.470 30.435 3.035 19286 5919 1 20 . 1 1 33 33 HIS H H 33 7.780 7.780 7.754 0.026 19286 5920 1 20 . 1 1 34 34 GLU N N 34 117.930 117.930 117.180 0.750 19286 5921 1 20 . 1 1 34 34 GLU H H 34 8.870 8.870 8.180 0.690 19286 5922 1 20 . 1 1 35 35 VAL N N 35 125.860 125.860 120.807 5.053 19286 5923 1 20 . 1 1 35 35 VAL HA H 35 4.710 4.710 4.237 0.473 19286 5924 1 20 . 1 1 35 35 VAL H H 35 8.870 8.870 8.034 0.836 19286 5925 1 20 . 1 1 36 36 ALA N N 36 132.950 132.950 130.541 2.409 19286 5926 1 20 . 1 1 36 36 ALA HA H 36 4.200 4.200 4.551 -0.351 19286 5927 1 20 . 1 1 36 36 ALA CB C 36 23.860 23.860 20.759 3.102 19286 5928 1 20 . 1 1 36 36 ALA H H 36 9.110 9.110 8.246 0.864 19286 5929 1 20 . 1 1 37 37 ALA N N 37 115.420 115.420 120.319 -4.899 19286 5930 1 20 . 1 1 37 37 ALA H H 37 7.480 7.480 8.050 -0.571 19286 5931 1 20 . 1 1 38 38 THR N N 38 112.980 112.980 114.404 -1.424 19286 5932 1 20 . 1 1 38 38 THR H H 38 8.170 8.170 8.211 -0.041 19286 5933 1 20 . 1 1 39 39 ALA CB C 39 22.610 22.610 18.582 4.028 19286 5934 1 20 . 1 1 40 40 SER N N 40 113.630 113.630 115.939 -2.309 19286 5935 1 20 . 1 1 40 40 SER HA H 40 4.450 4.450 4.423 0.027 19286 5936 1 20 . 1 1 40 40 SER CA C 40 57.480 57.480 58.807 -1.327 19286 5937 1 20 . 1 1 40 40 SER H H 40 8.980 8.980 8.462 0.518 19286 5938 1 20 . 1 1 41 41 ARG N N 41 117.890 117.890 127.687 -9.797 19286 5939 1 20 . 1 1 41 41 ARG CB C 41 34.110 34.110 32.765 1.345 19286 5940 1 20 . 1 1 41 41 ARG H H 41 7.340 7.340 8.596 -1.256 19286 5941 1 20 . 1 1 42 42 MET N N 42 123.460 123.460 124.926 -1.466 19286 5942 1 20 . 1 1 42 42 MET HA H 42 4.040 4.040 3.835 0.205 19286 5943 1 20 . 1 1 42 42 MET H H 42 9.340 9.340 8.615 0.725 19286 5944 1 20 . 1 1 43 43 GLN N N 43 117.010 117.010 119.897 -2.887 19286 5945 1 20 . 1 1 43 43 GLN H H 43 8.940 8.940 8.400 0.540 19286 5946 1 20 . 1 1 44 44 GLU N N 44 117.430 117.430 118.841 -1.411 19286 5947 1 20 . 1 1 44 44 GLU CB C 44 26.690 26.690 29.244 -2.554 19286 5948 1 20 . 1 1 44 44 GLU H H 44 7.160 7.160 8.542 -1.382 19286 5949 1 20 . 1 1 45 45 ALA N N 45 121.060 121.060 122.008 -0.948 19286 5950 1 20 . 1 1 45 45 ALA HA H 45 3.680 3.680 3.969 -0.289 19286 5951 1 20 . 1 1 45 45 ALA CA C 45 55.940 55.940 55.165 0.775 19286 5952 1 20 . 1 1 45 45 ALA CB C 45 20.940 20.940 18.282 2.658 19286 5953 1 20 . 1 1 45 45 ALA H H 45 8.220 8.220 7.935 0.285 19286 5954 1 20 . 1 1 46 46 LEU N N 46 116.750 116.750 118.731 -1.981 19286 5955 1 20 . 1 1 46 46 LEU H H 46 8.350 8.350 7.678 0.672 19286 5956 1 20 . 1 1 47 47 ASP N N 47 117.760 117.760 118.016 -0.256 19286 5957 1 20 . 1 1 47 47 ASP H H 47 7.400 7.400 8.023 -0.623 19286 5958 1 20 . 1 1 48 48 ILE N N 48 118.660 118.660 113.350 5.310 19286 5959 1 20 . 1 1 48 48 ILE H H 48 8.220 8.220 7.932 0.288 19286 5960 1 20 . 1 1 49 49 ALA N N 49 123.150 123.150 123.467 -0.317 19286 5961 1 20 . 1 1 49 49 ALA HA H 49 4.040 4.040 3.828 0.212 19286 5962 1 20 . 1 1 49 49 ALA CA C 49 55.940 55.940 53.896 2.044 19286 5963 1 20 . 1 1 49 49 ALA CB C 49 18.120 18.120 18.412 -0.291 19286 5964 1 20 . 1 1 49 49 ALA H H 49 8.610 8.610 7.081 1.529 19286 5965 1 20 . 1 1 50 50 ARG N N 50 113.110 113.110 118.275 -5.165 19286 5966 1 20 . 1 1 50 50 ARG CB C 50 26.570 26.570 30.104 -3.534 19286 5967 1 20 . 1 1 50 50 ARG H H 50 7.440 7.440 7.746 -0.306 19286 5968 1 20 . 1 1 51 51 LYS N N 51 114.910 114.910 117.539 -2.629 19286 5969 1 20 . 1 1 51 51 LYS H H 51 7.550 7.550 7.452 0.098 19286 5970 1 20 . 1 1 52 52 GLY N N 52 108.150 108.150 106.329 1.821 19286 5971 1 20 . 1 1 52 52 GLY H H 52 8.920 8.920 8.066 0.854 19286 5972 1 20 . 1 1 53 53 GLN N N 53 120.450 120.450 121.631 -1.181 19286 5973 1 20 . 1 1 53 53 GLN H H 53 8.320 8.320 8.076 0.244 19286 5974 1 20 . 1 1 54 54 PHE N N 54 119.090 119.090 115.927 3.163 19286 5975 1 20 . 1 1 54 54 PHE H H 54 7.180 7.180 8.577 -1.397 19286 5976 1 20 . 1 1 55 55 ASP N N 55 117.290 117.290 116.517 0.773 19286 5977 1 20 . 1 1 55 55 ASP H H 55 9.330 9.330 7.021 2.309 19286 5978 1 20 . 1 1 56 56 ILE N N 56 109.550 109.550 118.380 -8.830 19286 5979 1 20 . 1 1 56 56 ILE HA H 56 5.220 5.220 4.244 0.976 19286 5980 1 20 . 1 1 56 56 ILE CA C 56 59.690 59.690 59.610 0.080 19286 5981 1 20 . 1 1 56 56 ILE H H 56 7.690 7.690 7.182 0.508 19286 5982 1 20 . 1 1 57 57 ALA N N 57 122.390 122.390 125.175 -2.785 19286 5983 1 20 . 1 1 57 57 ALA HA H 57 5.480 5.480 5.430 0.050 19286 5984 1 20 . 1 1 57 57 ALA CA C 57 50.940 50.940 51.201 -0.261 19286 5985 1 20 . 1 1 57 57 ALA H H 57 8.000 8.000 8.233 -0.233 19286 5986 1 20 . 1 1 59 59 ILE N N 59 122.950 122.950 128.665 -5.715 19286 5987 1 20 . 1 1 59 59 ILE HA H 59 4.990 4.990 4.767 0.223 19286 5988 1 20 . 1 1 59 59 ILE CA C 59 57.190 57.190 59.949 -2.759 19286 5989 1 20 . 1 1 59 59 ILE H H 59 8.930 8.930 8.322 0.608 19286 5990 1 20 . 1 1 60 60 ASP N N 60 127.320 127.320 124.384 2.936 19286 5991 1 20 . 1 1 60 60 ASP HA H 60 5.100 5.100 4.792 0.308 19286 5992 1 20 . 1 1 60 60 ASP CA C 60 55.100 55.100 54.295 0.805 19286 5993 1 20 . 1 1 60 60 ASP H H 60 8.360 8.360 8.257 0.103 19286 5994 1 20 . 1 1 61 61 VAL N N 61 121.040 121.040 119.000 2.040 19286 5995 1 20 . 1 1 61 61 VAL HA H 61 3.700 3.700 3.811 -0.111 19286 5996 1 20 . 1 1 61 61 VAL CA C 61 64.630 64.630 62.761 1.869 19286 5997 1 20 . 1 1 61 61 VAL CB C 61 31.590 31.590 30.996 0.594 19286 5998 1 20 . 1 1 61 61 VAL H H 61 8.540 8.540 8.300 0.240 19286 5999 1 20 . 1 1 63 63 LEU N N 63 121.830 121.830 121.040 0.790 19286 6000 1 20 . 1 1 63 63 LEU HA H 63 4.400 4.400 4.609 -0.209 19286 6001 1 20 . 1 1 63 63 LEU CA C 63 52.810 52.810 54.047 -1.237 19286 6002 1 20 . 1 1 63 63 LEU H H 63 8.960 8.960 7.573 1.387 19286 6003 1 20 . 1 1 64 64 ASP N N 64 128.450 128.450 121.006 7.444 19286 6004 1 20 . 1 1 64 64 ASP HA H 64 4.290 4.290 4.361 -0.071 19286 6005 1 20 . 1 1 64 64 ASP CA C 64 55.940 55.940 55.395 0.545 19286 6006 1 20 . 1 1 64 64 ASP CB C 64 40.390 40.390 40.266 0.124 19286 6007 1 20 . 1 1 64 64 ASP H H 64 9.840 9.840 9.012 0.828 19286 6008 1 20 . 1 1 65 65 GLY N N 65 133.580 133.580 104.244 29.336 19286 6009 1 20 . 1 1 65 65 GLY H H 65 8.400 8.400 7.866 0.534 19286 6010 1 20 . 1 1 66 66 GLU N N 66 121.110 121.110 120.236 0.874 19286 6011 1 20 . 1 1 66 66 GLU HA H 66 4.920 4.920 4.146 0.774 19286 6012 1 20 . 1 1 66 66 GLU CA C 66 53.100 53.100 56.590 -3.490 19286 6013 1 20 . 1 1 66 66 GLU H H 66 7.790 7.790 7.838 -0.048 19286 6014 1 20 . 1 1 69 69 TYR N N 69 120.020 120.020 116.330 3.690 19286 6015 1 20 . 1 1 69 69 TYR HA H 69 4.410 4.410 4.140 0.270 19286 6016 1 20 . 1 1 69 69 TYR CA C 69 60.970 60.970 57.206 3.764 19286 6017 1 20 . 1 1 69 69 TYR H H 69 6.480 6.480 7.672 -1.192 19286 6018 1 20 . 1 1 71 71 VAL N N 71 115.000 115.000 116.844 -1.844 19286 6019 1 20 . 1 1 71 71 VAL H H 71 7.640 7.640 7.571 0.069 19286 6020 1 20 . 1 1 72 72 ALA N N 72 122.000 122.000 123.939 -1.939 19286 6021 1 20 . 1 1 72 72 ALA CB C 72 20.110 20.110 18.513 1.597 19286 6022 1 20 . 1 1 72 72 ALA H H 72 6.890 6.890 7.720 -0.830 19286 6023 1 20 . 1 1 73 73 ASP N N 73 116.020 116.020 118.872 -2.852 19286 6024 1 20 . 1 1 73 73 ASP H H 73 8.610 8.610 7.688 0.922 19286 6025 1 20 . 1 1 74 74 ILE N N 74 120.950 120.950 119.382 1.568 19286 6026 1 20 . 1 1 74 74 ILE H H 74 7.060 7.060 7.343 -0.283 19286 6027 1 20 . 1 1 75 75 LEU N N 75 119.760 119.760 118.858 0.902 19286 6028 1 20 . 1 1 75 75 LEU H H 75 7.460 7.460 7.532 -0.072 19286 6029 1 20 . 1 1 76 76 ALA N N 76 121.160 121.160 122.037 -0.877 19286 6030 1 20 . 1 1 76 76 ALA H H 76 8.910 8.910 8.122 0.788 19286 6031 1 20 . 1 1 77 77 GLU N N 77 120.340 120.340 116.577 3.763 19286 6032 1 20 . 1 1 77 77 GLU H H 77 7.800 7.800 8.172 -0.372 19286 6033 1 20 . 1 1 78 78 ARG N N 78 116.210 116.210 117.591 -1.381 19286 6034 1 20 . 1 1 78 78 ARG H H 78 7.740 7.740 7.481 0.259 19286 6035 1 20 . 1 1 79 79 ASN N N 79 116.230 116.230 122.602 -6.372 19286 6036 1 20 . 1 1 79 79 ASN H H 79 8.030 8.030 8.358 -0.328 19286 6037 1 20 . 1 1 80 80 VAL N N 80 121.200 121.200 119.785 1.415 19286 6038 1 20 . 1 1 80 80 VAL H H 80 8.200 8.200 7.626 0.574 19286 6039 1 20 . 1 1 82 82 PHE N N 82 113.440 113.440 118.938 -5.498 19286 6040 1 20 . 1 1 82 82 PHE HA H 82 5.690 5.690 4.724 0.966 19286 6041 1 20 . 1 1 82 82 PHE CA C 82 55.480 55.480 55.779 -0.299 19286 6042 1 20 . 1 1 82 82 PHE CB C 82 43.610 43.610 40.598 3.012 19286 6043 1 20 . 1 1 82 82 PHE H H 82 7.310 7.310 7.149 0.161 19286 6044 1 20 . 1 1 83 83 ILE N N 83 115.230 115.230 118.195 -2.965 19286 6045 1 20 . 1 1 83 83 ILE HA H 83 4.260 4.260 3.480 0.780 19286 6046 1 20 . 1 1 83 83 ILE CA C 83 59.690 59.690 60.849 -1.159 19286 6047 1 20 . 1 1 83 83 ILE H H 83 7.880 7.880 7.636 0.244 19286 6048 1 20 . 1 1 84 84 PHE N N 84 122.680 122.680 123.930 -1.250 19286 6049 1 20 . 1 1 84 84 PHE HA H 84 6.190 6.190 5.044 1.146 19286 6050 1 20 . 1 1 84 84 PHE CA C 84 55.470 55.470 56.025 -0.555 19286 6051 1 20 . 1 1 84 84 PHE H H 84 8.360 8.360 8.256 0.104 19286 6052 1 20 . 1 1 85 85 ALA N N 85 123.760 123.760 126.457 -2.697 19286 6053 1 20 . 1 1 85 85 ALA HA H 85 5.540 5.540 5.345 0.195 19286 6054 1 20 . 1 1 85 85 ALA CA C 85 50.940 50.940 52.020 -1.080 19286 6055 1 20 . 1 1 85 85 ALA H H 85 8.570 8.570 8.863 -0.293 19286 6056 1 20 . 1 1 86 86 THR N N 86 114.260 114.260 117.113 -2.853 19286 6057 1 20 . 1 1 86 86 THR HA H 86 4.290 4.290 4.600 -0.310 19286 6058 1 20 . 1 1 86 86 THR CA C 86 56.720 56.720 60.441 -3.721 19286 6059 1 20 . 1 1 86 86 THR CB C 86 69.610 69.610 70.461 -0.851 19286 6060 1 20 . 1 1 86 86 THR H H 86 8.640 8.640 8.656 -0.016 19286 6061 1 20 . 1 1 87 87 GLY N N 87 112.830 112.830 110.518 2.312 19286 6062 1 20 . 1 1 87 87 GLY H H 87 8.590 8.590 8.908 -0.318 19286 6063 1 20 . 1 1 89 89 GLY N N 89 111.750 111.750 109.450 2.300 19286 6064 1 20 . 1 1 89 89 GLY H H 89 8.300 8.300 8.443 -0.143 19286 6065 1 20 . 1 1 90 90 SER CA C 90 57.970 57.970 58.716 -0.746 19286 6066 1 20 . 1 1 90 90 SER H H 90 4.990 4.990 5.355 -0.365 19286 6067 1 20 . 1 1 91 91 LYS N N 91 122.950 122.950 121.473 1.477 19286 6068 1 20 . 1 1 91 91 LYS H H 91 8.180 8.180 8.082 0.098 19286 6069 1 20 . 1 1 92 92 GLY N N 92 109.390 109.390 109.534 -0.144 19286 6070 1 20 . 1 1 92 92 GLY H H 92 8.320 8.320 8.507 -0.187 19286 6071 1 20 . 1 1 93 93 LEU N N 93 121.760 121.760 123.435 -1.675 19286 6072 1 20 . 1 1 93 93 LEU CB C 93 42.970 42.970 41.893 1.077 19286 6073 1 20 . 1 1 93 93 LEU H H 93 7.910 7.910 7.746 0.164 19286 6074 1 20 . 1 1 94 94 ASP N N 94 122.710 122.710 121.775 0.935 19286 6075 1 20 . 1 1 94 94 ASP H H 94 7.650 7.650 7.756 -0.106 19286 6076 1 20 . 1 1 95 95 THR N N 95 117.650 117.650 113.595 4.055 19286 6077 1 20 . 1 1 95 95 THR H H 95 8.210 8.210 7.706 0.504 19286 6078 1 20 . 1 1 96 96 ARG N N 96 122.360 122.360 121.847 0.513 19286 6079 1 20 . 1 1 96 96 ARG H H 96 8.700 8.700 8.885 -0.185 19286 6080 1 20 . 1 1 97 97 TYR N N 97 117.080 117.080 115.772 1.308 19286 6081 1 20 . 1 1 97 97 TYR CB C 97 39.220 39.220 37.235 1.985 19286 6082 1 20 . 1 1 97 97 TYR H H 97 8.000 8.000 8.304 -0.304 19286 6083 1 20 . 1 1 98 98 SER N N 98 114.730 114.730 112.937 1.793 19286 6084 1 20 . 1 1 98 98 SER H H 98 7.580 7.580 7.738 -0.158 19286 6085 1 20 . 1 1 99 99 ASN N N 99 117.230 117.230 116.175 1.055 19286 6086 1 20 . 1 1 99 99 ASN H H 99 8.600 8.600 8.499 0.101 19286 6087 1 20 . 1 1 100 100 ILE N N 100 124.250 124.250 112.266 11.984 19286 6088 1 20 . 1 1 100 100 ILE H H 100 7.520 7.520 8.219 -0.699 19286 6089 1 20 . 1 1 102 102 LEU N N 102 121.060 121.060 117.157 3.903 19286 6090 1 20 . 1 1 102 102 LEU H H 102 7.870 7.870 7.469 0.401 19286 6091 1 20 . 1 1 103 103 LEU N N 103 126.970 126.970 114.883 12.087 19286 6092 1 20 . 1 1 103 103 LEU HA H 103 4.620 4.620 4.681 -0.061 19286 6093 1 20 . 1 1 103 103 LEU CA C 103 54.690 54.690 55.002 -0.312 19286 6094 1 20 . 1 1 103 103 LEU H H 103 9.080 9.080 7.933 1.147 19286 6095 1 20 . 1 1 104 104 THR N N 104 118.430 118.430 114.606 3.824 19286 6096 1 20 . 1 1 104 104 THR HA H 104 4.760 4.760 4.679 0.081 19286 6097 1 20 . 1 1 104 104 THR CA C 104 63.440 63.440 62.976 0.464 19286 6098 1 20 . 1 1 104 104 THR H H 104 8.430 8.430 8.017 0.413 19286 6099 1 20 . 1 1 105 105 LYS N N 105 122.030 122.030 118.696 3.334 19286 6100 1 20 . 1 1 105 105 LYS HA H 105 4.290 4.290 4.866 -0.576 19286 6101 1 20 . 1 1 105 105 LYS CA C 105 54.690 54.690 55.689 -0.999 19286 6102 1 20 . 1 1 105 105 LYS H H 105 8.170 8.170 8.107 0.063 19286 6103 1 20 . 1 1 107 107 PHE N N 107 118.490 118.490 117.472 1.018 19286 6104 1 20 . 1 1 107 107 PHE H H 107 7.470 7.470 8.082 -0.612 19286 6105 1 20 . 1 1 109 109 ASP N N 109 124.810 124.810 114.791 10.019 19286 6106 1 20 . 1 1 109 109 ASP HA H 109 4.710 4.710 4.702 0.008 19286 6107 1 20 . 1 1 109 109 ASP H H 109 9.130 9.130 8.255 0.875 19286 6108 1 20 . 1 1 110 110 SER HA H 110 4.270 4.270 4.275 -0.005 19286 6109 1 20 . 1 1 110 110 SER CA C 110 59.690 59.690 59.861 -0.172 19286 6110 1 20 . 1 1 111 111 GLU N N 111 123.780 123.780 123.118 0.662 19286 6111 1 20 . 1 1 111 111 GLU HA H 111 4.060 4.060 3.987 0.073 19286 6112 1 20 . 1 1 111 111 GLU CA C 111 58.440 58.440 59.721 -1.281 19286 6113 1 20 . 1 1 111 111 GLU H H 111 7.410 7.410 8.661 -1.251 19286 6114 1 20 . 1 1 112 112 LEU N N 112 120.180 120.180 116.372 3.808 19286 6115 1 20 . 1 1 112 112 LEU HA H 112 3.900 3.900 3.932 -0.032 19286 6116 1 20 . 1 1 112 112 LEU CA C 112 58.440 58.440 57.769 0.671 19286 6117 1 20 . 1 1 112 112 LEU H H 112 7.670 7.670 7.771 -0.101 19286 6118 1 20 . 1 1 113 113 GLU N N 113 118.380 118.380 119.270 -0.890 19286 6119 1 20 . 1 1 113 113 GLU HA H 113 3.730 3.730 3.785 -0.055 19286 6120 1 20 . 1 1 113 113 GLU CA C 113 60.940 60.940 59.429 1.511 19286 6121 1 20 . 1 1 113 113 GLU H H 113 8.530 8.530 8.347 0.183 19286 6122 1 20 . 1 1 114 114 ALA N N 114 117.790 117.790 120.859 -3.069 19286 6123 1 20 . 1 1 114 114 ALA HA H 114 4.140 4.140 4.136 0.004 19286 6124 1 20 . 1 1 114 114 ALA CA C 114 55.540 55.540 54.887 0.653 19286 6125 1 20 . 1 1 114 114 ALA CB C 114 18.440 18.440 18.929 -0.489 19286 6126 1 20 . 1 1 114 114 ALA H H 114 7.480 7.480 7.929 -0.450 19286 6127 1 20 . 1 1 115 115 VAL N N 115 116.000 116.000 110.963 5.037 19286 6128 1 20 . 1 1 115 115 VAL HA H 115 4.030 4.030 4.195 -0.165 19286 6129 1 20 . 1 1 115 115 VAL CA C 115 65.940 65.940 63.709 2.231 19286 6130 1 20 . 1 1 115 115 VAL H H 115 7.540 7.540 7.940 -0.400 19286 6131 1 20 . 1 1 116 116 LEU HA H 116 4.280 4.280 4.481 -0.201 19286 6132 1 20 . 1 1 116 116 LEU CA C 116 57.570 57.570 56.658 0.912 19286 6133 1 20 . 1 1 117 117 VAL N N 117 119.140 119.140 118.354 0.786 19286 6134 1 20 . 1 1 117 117 VAL H H 117 8.200 8.200 7.636 0.564 19286 6135 1 20 . 1 1 120 120 SER N N 120 115.730 115.730 112.745 2.985 19286 6136 1 20 . 1 1 120 120 SER H H 120 7.780 7.780 7.470 0.310 19286 6137 1 20 . 1 1 121 121 LYS N N 121 120.870 120.870 120.594 0.276 19286 6138 1 20 . 1 1 121 121 LYS H H 121 7.540 7.540 8.441 -0.901 19286 6139 1 20 . 1 1 122 122 GLU N N 122 120.160 120.160 120.147 0.013 19286 6140 1 20 . 1 1 122 122 GLU H H 122 8.140 8.140 8.745 -0.605 19286 6141 1 21 . 1 1 4 4 MET N N 4 121.520 121.520 122.358 -0.838 19286 6142 1 21 . 1 1 4 4 MET H H 4 8.450 8.450 8.366 0.084 19286 6143 1 21 . 1 1 5 5 THR N N 5 115.270 115.270 115.728 -0.458 19286 6144 1 21 . 1 1 5 5 THR H H 5 8.090 8.090 8.389 -0.299 19286 6145 1 21 . 1 1 6 6 GLU N N 6 123.580 123.580 119.643 3.937 19286 6146 1 21 . 1 1 6 6 GLU H H 6 8.430 8.430 8.616 -0.186 19286 6147 1 21 . 1 1 7 7 ARG N N 7 120.850 120.850 119.074 1.776 19286 6148 1 21 . 1 1 7 7 ARG H H 7 8.030 8.030 8.581 -0.551 19286 6149 1 21 . 1 1 8 8 ARG N N 8 125.410 125.410 120.126 5.284 19286 6150 1 21 . 1 1 8 8 ARG HA H 8 4.370 4.370 4.267 0.103 19286 6151 1 21 . 1 1 8 8 ARG H H 8 8.310 8.310 8.190 0.120 19286 6152 1 21 . 1 1 9 9 LEU N N 9 130.330 130.330 121.561 8.769 19286 6153 1 21 . 1 1 9 9 LEU HA H 9 4.610 4.610 5.339 -0.729 19286 6154 1 21 . 1 1 9 9 LEU H H 9 11.100 11.100 8.061 3.039 19286 6155 1 21 . 1 1 10 10 ARG N N 10 121.420 121.420 123.698 -2.278 19286 6156 1 21 . 1 1 10 10 ARG HA H 10 5.010 5.010 4.811 0.199 19286 6157 1 21 . 1 1 10 10 ARG CA C 10 55.940 55.940 55.164 0.776 19286 6158 1 21 . 1 1 10 10 ARG H H 10 9.620 9.620 9.822 -0.202 19286 6159 1 21 . 1 1 11 11 VAL N N 11 125.110 125.110 121.501 3.609 19286 6160 1 21 . 1 1 11 11 VAL HA H 11 4.970 4.970 4.590 0.380 19286 6161 1 21 . 1 1 11 11 VAL H H 11 9.210 9.210 8.375 0.835 19286 6162 1 21 . 1 1 12 12 LEU N N 12 130.050 130.050 130.412 -0.362 19286 6163 1 21 . 1 1 12 12 LEU HA H 12 4.780 4.780 4.789 -0.009 19286 6164 1 21 . 1 1 12 12 LEU H H 12 8.260 8.260 8.859 -0.599 19286 6165 1 21 . 1 1 13 13 VAL N N 13 128.060 128.060 124.863 3.197 19286 6166 1 21 . 1 1 13 13 VAL HA H 13 4.610 4.610 4.340 0.270 19286 6167 1 21 . 1 1 13 13 VAL H H 13 8.330 8.330 7.896 0.434 19286 6168 1 21 . 1 1 14 14 VAL N N 14 128.470 128.470 119.406 9.064 19286 6169 1 21 . 1 1 14 14 VAL HA H 14 4.700 4.700 4.686 0.014 19286 6170 1 21 . 1 1 14 14 VAL H H 14 8.840 8.840 9.037 -0.197 19286 6171 1 21 . 1 1 15 15 GLU N N 15 124.840 124.840 123.975 0.865 19286 6172 1 21 . 1 1 15 15 GLU HA H 15 4.620 4.620 4.496 0.124 19286 6173 1 21 . 1 1 15 15 GLU H H 15 7.950 7.950 8.313 -0.363 19286 6174 1 21 . 1 1 16 16 ASP N N 16 125.840 125.840 122.979 2.861 19286 6175 1 21 . 1 1 16 16 ASP HA H 16 4.540 4.540 4.473 0.067 19286 6176 1 21 . 1 1 16 16 ASP H H 16 9.360 9.360 8.828 0.532 19286 6177 1 21 . 1 1 17 17 GLU HA H 17 4.290 4.290 4.556 -0.267 19286 6178 1 21 . 1 1 17 17 GLU CA C 17 55.540 55.540 55.154 0.386 19286 6179 1 21 . 1 1 18 18 SER N N 18 124.990 124.990 116.270 8.720 19286 6180 1 21 . 1 1 18 18 SER HA H 18 4.610 4.610 4.525 0.085 19286 6181 1 21 . 1 1 18 18 SER H H 18 8.820 8.820 8.816 0.004 19286 6182 1 21 . 1 1 19 19 MET N N 19 119.940 119.940 121.979 -2.039 19286 6183 1 21 . 1 1 19 19 MET H H 19 9.030 9.030 7.967 1.063 19286 6184 1 21 . 1 1 20 20 ILE N N 20 118.700 118.700 117.544 1.156 19286 6185 1 21 . 1 1 20 20 ILE H H 20 7.200 7.200 7.924 -0.724 19286 6186 1 21 . 1 1 21 21 ALA N N 21 123.500 123.500 123.745 -0.245 19286 6187 1 21 . 1 1 21 21 ALA CB C 21 18.860 18.860 18.856 0.004 19286 6188 1 21 . 1 1 21 21 ALA H H 21 8.370 8.370 7.424 0.946 19286 6189 1 21 . 1 1 22 22 MET N N 22 115.790 115.790 119.134 -3.344 19286 6190 1 21 . 1 1 22 22 MET HA H 22 4.160 4.160 4.230 -0.070 19286 6191 1 21 . 1 1 22 22 MET CA C 22 58.440 58.440 58.435 0.005 19286 6192 1 21 . 1 1 22 22 MET H H 22 8.090 8.090 7.657 0.433 19286 6193 1 21 . 1 1 23 23 LEU N N 23 120.400 120.400 119.370 1.030 19286 6194 1 21 . 1 1 23 23 LEU H H 23 7.490 7.490 7.584 -0.094 19286 6195 1 21 . 1 1 24 24 ILE N N 24 120.840 120.840 121.856 -1.016 19286 6196 1 21 . 1 1 24 24 ILE HA H 24 3.520 3.520 4.226 -0.706 19286 6197 1 21 . 1 1 24 24 ILE CA C 24 67.190 67.190 63.221 3.969 19286 6198 1 21 . 1 1 24 24 ILE CB C 24 38.440 38.440 39.366 -0.926 19286 6199 1 21 . 1 1 24 24 ILE H H 24 8.630 8.630 8.684 -0.054 19286 6200 1 21 . 1 1 25 25 GLU N N 25 119.380 119.380 119.658 -0.278 19286 6201 1 21 . 1 1 25 25 GLU H H 25 8.550 8.550 7.859 0.691 19286 6202 1 21 . 1 1 26 26 ASP N N 26 119.700 119.700 116.834 2.866 19286 6203 1 21 . 1 1 26 26 ASP H H 26 8.890 8.890 7.884 1.006 19286 6204 1 21 . 1 1 27 27 THR N N 27 117.460 117.460 115.667 1.793 19286 6205 1 21 . 1 1 27 27 THR HA H 27 4.270 4.270 4.115 0.155 19286 6206 1 21 . 1 1 27 27 THR CA C 27 68.890 68.890 64.876 4.014 19286 6207 1 21 . 1 1 27 27 THR H H 27 8.100 8.100 7.691 0.409 19286 6208 1 21 . 1 1 28 28 LEU N N 28 120.440 120.440 123.210 -2.770 19286 6209 1 21 . 1 1 28 28 LEU HA H 28 3.920 3.920 4.455 -0.535 19286 6210 1 21 . 1 1 28 28 LEU CA C 28 58.440 58.440 57.306 1.134 19286 6211 1 21 . 1 1 28 28 LEU H H 28 8.610 8.610 8.752 -0.142 19286 6212 1 21 . 1 1 29 29 CYS N N 29 116.920 116.920 116.667 0.253 19286 6213 1 21 . 1 1 29 29 CYS H H 29 8.180 8.180 7.951 0.229 19286 6214 1 21 . 1 1 30 30 GLU N N 30 122.820 122.820 121.427 1.393 19286 6215 1 21 . 1 1 30 30 GLU HA H 30 4.160 4.160 4.190 -0.030 19286 6216 1 21 . 1 1 30 30 GLU CA C 30 59.690 59.690 58.803 0.886 19286 6217 1 21 . 1 1 30 30 GLU H H 30 8.060 8.060 7.699 0.361 19286 6218 1 21 . 1 1 31 31 LEU N N 31 116.980 116.980 118.069 -1.089 19286 6219 1 21 . 1 1 31 31 LEU H H 31 7.660 7.660 7.437 0.223 19286 6220 1 21 . 1 1 32 32 GLY N N 32 105.410 105.410 105.269 0.141 19286 6221 1 21 . 1 1 32 32 GLY H H 32 7.600 7.600 7.813 -0.213 19286 6222 1 21 . 1 1 33 33 HIS N N 33 119.380 119.380 116.815 2.565 19286 6223 1 21 . 1 1 33 33 HIS HA H 33 5.130 5.130 4.316 0.814 19286 6224 1 21 . 1 1 33 33 HIS CA C 33 56.350 56.350 57.721 -1.371 19286 6225 1 21 . 1 1 33 33 HIS CB C 33 33.470 33.470 30.183 3.287 19286 6226 1 21 . 1 1 33 33 HIS H H 33 7.780 7.780 7.697 0.083 19286 6227 1 21 . 1 1 34 34 GLU N N 34 117.930 117.930 120.595 -2.665 19286 6228 1 21 . 1 1 34 34 GLU H H 34 8.870 8.870 8.436 0.434 19286 6229 1 21 . 1 1 35 35 VAL N N 35 125.860 125.860 120.937 4.923 19286 6230 1 21 . 1 1 35 35 VAL HA H 35 4.710 4.710 4.269 0.441 19286 6231 1 21 . 1 1 35 35 VAL H H 35 8.870 8.870 7.979 0.891 19286 6232 1 21 . 1 1 36 36 ALA N N 36 132.950 132.950 129.801 3.149 19286 6233 1 21 . 1 1 36 36 ALA HA H 36 4.200 4.200 5.544 -1.344 19286 6234 1 21 . 1 1 36 36 ALA CB C 36 23.860 23.860 20.970 2.890 19286 6235 1 21 . 1 1 36 36 ALA H H 36 9.110 9.110 8.330 0.780 19286 6236 1 21 . 1 1 37 37 ALA N N 37 115.420 115.420 125.765 -10.345 19286 6237 1 21 . 1 1 37 37 ALA H H 37 7.480 7.480 8.189 -0.709 19286 6238 1 21 . 1 1 38 38 THR N N 38 112.980 112.980 112.809 0.171 19286 6239 1 21 . 1 1 38 38 THR H H 38 8.170 8.170 8.145 0.025 19286 6240 1 21 . 1 1 39 39 ALA CB C 39 22.610 22.610 18.971 3.639 19286 6241 1 21 . 1 1 40 40 SER N N 40 113.630 113.630 115.935 -2.305 19286 6242 1 21 . 1 1 40 40 SER HA H 40 4.450 4.450 4.349 0.101 19286 6243 1 21 . 1 1 40 40 SER CA C 40 57.480 57.480 58.910 -1.430 19286 6244 1 21 . 1 1 40 40 SER H H 40 8.980 8.980 8.501 0.479 19286 6245 1 21 . 1 1 41 41 ARG N N 41 117.890 117.890 128.038 -10.148 19286 6246 1 21 . 1 1 41 41 ARG CB C 41 34.110 34.110 32.534 1.576 19286 6247 1 21 . 1 1 41 41 ARG H H 41 7.340 7.340 8.299 -0.959 19286 6248 1 21 . 1 1 42 42 MET N N 42 123.460 123.460 125.594 -2.134 19286 6249 1 21 . 1 1 42 42 MET HA H 42 4.040 4.040 3.545 0.495 19286 6250 1 21 . 1 1 42 42 MET H H 42 9.340 9.340 8.860 0.480 19286 6251 1 21 . 1 1 43 43 GLN N N 43 117.010 117.010 118.902 -1.892 19286 6252 1 21 . 1 1 43 43 GLN H H 43 8.940 8.940 8.120 0.820 19286 6253 1 21 . 1 1 44 44 GLU N N 44 117.430 117.430 119.030 -1.600 19286 6254 1 21 . 1 1 44 44 GLU CB C 44 26.690 26.690 28.636 -1.946 19286 6255 1 21 . 1 1 44 44 GLU H H 44 7.160 7.160 7.965 -0.805 19286 6256 1 21 . 1 1 45 45 ALA N N 45 121.060 121.060 122.669 -1.609 19286 6257 1 21 . 1 1 45 45 ALA HA H 45 3.680 3.680 3.939 -0.259 19286 6258 1 21 . 1 1 45 45 ALA CA C 45 55.940 55.940 55.000 0.940 19286 6259 1 21 . 1 1 45 45 ALA CB C 45 20.940 20.940 18.268 2.672 19286 6260 1 21 . 1 1 45 45 ALA H H 45 8.220 8.220 8.535 -0.315 19286 6261 1 21 . 1 1 46 46 LEU N N 46 116.750 116.750 118.530 -1.780 19286 6262 1 21 . 1 1 46 46 LEU H H 46 8.350 8.350 7.879 0.471 19286 6263 1 21 . 1 1 47 47 ASP N N 47 117.760 117.760 118.022 -0.262 19286 6264 1 21 . 1 1 47 47 ASP H H 47 7.400 7.400 7.980 -0.580 19286 6265 1 21 . 1 1 48 48 ILE N N 48 118.660 118.660 114.572 4.088 19286 6266 1 21 . 1 1 48 48 ILE H H 48 8.220 8.220 7.926 0.294 19286 6267 1 21 . 1 1 49 49 ALA N N 49 123.150 123.150 123.951 -0.801 19286 6268 1 21 . 1 1 49 49 ALA HA H 49 4.040 4.040 4.074 -0.034 19286 6269 1 21 . 1 1 49 49 ALA CA C 49 55.940 55.940 53.717 2.223 19286 6270 1 21 . 1 1 49 49 ALA CB C 49 18.120 18.120 19.162 -1.042 19286 6271 1 21 . 1 1 49 49 ALA H H 49 8.610 8.610 7.296 1.314 19286 6272 1 21 . 1 1 50 50 ARG N N 50 113.110 113.110 118.996 -5.886 19286 6273 1 21 . 1 1 50 50 ARG CB C 50 26.570 26.570 30.075 -3.505 19286 6274 1 21 . 1 1 50 50 ARG H H 50 7.440 7.440 7.917 -0.477 19286 6275 1 21 . 1 1 51 51 LYS N N 51 114.910 114.910 118.652 -3.742 19286 6276 1 21 . 1 1 51 51 LYS H H 51 7.550 7.550 7.587 -0.037 19286 6277 1 21 . 1 1 52 52 GLY N N 52 108.150 108.150 106.665 1.485 19286 6278 1 21 . 1 1 52 52 GLY H H 52 8.920 8.920 8.256 0.664 19286 6279 1 21 . 1 1 53 53 GLN N N 53 120.450 120.450 116.278 4.172 19286 6280 1 21 . 1 1 53 53 GLN H H 53 8.320 8.320 8.035 0.285 19286 6281 1 21 . 1 1 54 54 PHE N N 54 119.090 119.090 116.509 2.581 19286 6282 1 21 . 1 1 54 54 PHE H H 54 7.180 7.180 7.698 -0.518 19286 6283 1 21 . 1 1 55 55 ASP N N 55 117.290 117.290 121.716 -4.426 19286 6284 1 21 . 1 1 55 55 ASP H H 55 9.330 9.330 8.108 1.222 19286 6285 1 21 . 1 1 56 56 ILE N N 56 109.550 109.550 118.219 -8.669 19286 6286 1 21 . 1 1 56 56 ILE HA H 56 5.220 5.220 4.487 0.733 19286 6287 1 21 . 1 1 56 56 ILE CA C 56 59.690 59.690 60.174 -0.484 19286 6288 1 21 . 1 1 56 56 ILE H H 56 7.690 7.690 8.464 -0.774 19286 6289 1 21 . 1 1 57 57 ALA N N 57 122.390 122.390 125.319 -2.929 19286 6290 1 21 . 1 1 57 57 ALA HA H 57 5.480 5.480 5.238 0.242 19286 6291 1 21 . 1 1 57 57 ALA CA C 57 50.940 50.940 51.372 -0.432 19286 6292 1 21 . 1 1 57 57 ALA H H 57 8.000 8.000 8.432 -0.432 19286 6293 1 21 . 1 1 59 59 ILE N N 59 122.950 122.950 128.027 -5.077 19286 6294 1 21 . 1 1 59 59 ILE HA H 59 4.990 4.990 4.767 0.223 19286 6295 1 21 . 1 1 59 59 ILE CA C 59 57.190 57.190 57.803 -0.613 19286 6296 1 21 . 1 1 59 59 ILE H H 59 8.930 8.930 7.170 1.760 19286 6297 1 21 . 1 1 60 60 ASP N N 60 127.320 127.320 123.521 3.799 19286 6298 1 21 . 1 1 60 60 ASP HA H 60 5.100 5.100 4.617 0.483 19286 6299 1 21 . 1 1 60 60 ASP CA C 60 55.100 55.100 54.434 0.666 19286 6300 1 21 . 1 1 60 60 ASP H H 60 8.360 8.360 7.320 1.040 19286 6301 1 21 . 1 1 61 61 VAL N N 61 121.040 121.040 117.096 3.944 19286 6302 1 21 . 1 1 61 61 VAL HA H 61 3.700 3.700 3.855 -0.155 19286 6303 1 21 . 1 1 61 61 VAL CA C 61 64.630 64.630 63.352 1.278 19286 6304 1 21 . 1 1 61 61 VAL CB C 61 31.590 31.590 32.065 -0.475 19286 6305 1 21 . 1 1 61 61 VAL H H 61 8.540 8.540 8.620 -0.080 19286 6306 1 21 . 1 1 63 63 LEU N N 63 121.830 121.830 120.179 1.651 19286 6307 1 21 . 1 1 63 63 LEU HA H 63 4.400 4.400 4.645 -0.245 19286 6308 1 21 . 1 1 63 63 LEU CA C 63 52.810 52.810 54.117 -1.307 19286 6309 1 21 . 1 1 63 63 LEU H H 63 8.960 8.960 7.639 1.321 19286 6310 1 21 . 1 1 64 64 ASP N N 64 128.450 128.450 120.212 8.238 19286 6311 1 21 . 1 1 64 64 ASP HA H 64 4.290 4.290 4.292 -0.002 19286 6312 1 21 . 1 1 64 64 ASP CA C 64 55.940 55.940 55.811 0.129 19286 6313 1 21 . 1 1 64 64 ASP CB C 64 40.390 40.390 40.156 0.234 19286 6314 1 21 . 1 1 64 64 ASP H H 64 9.840 9.840 9.043 0.797 19286 6315 1 21 . 1 1 65 65 GLY N N 65 133.580 133.580 104.851 28.729 19286 6316 1 21 . 1 1 65 65 GLY H H 65 8.400 8.400 7.994 0.406 19286 6317 1 21 . 1 1 66 66 GLU N N 66 121.110 121.110 120.631 0.479 19286 6318 1 21 . 1 1 66 66 GLU HA H 66 4.920 4.920 4.026 0.894 19286 6319 1 21 . 1 1 66 66 GLU CA C 66 53.100 53.100 56.393 -3.293 19286 6320 1 21 . 1 1 66 66 GLU H H 66 7.790 7.790 8.187 -0.397 19286 6321 1 21 . 1 1 69 69 TYR N N 69 120.020 120.020 115.311 4.709 19286 6322 1 21 . 1 1 69 69 TYR HA H 69 4.410 4.410 4.223 0.187 19286 6323 1 21 . 1 1 69 69 TYR CA C 69 60.970 60.970 57.510 3.460 19286 6324 1 21 . 1 1 69 69 TYR H H 69 6.480 6.480 7.409 -0.929 19286 6325 1 21 . 1 1 71 71 VAL N N 71 115.000 115.000 121.291 -6.291 19286 6326 1 21 . 1 1 71 71 VAL H H 71 7.640 7.640 7.718 -0.078 19286 6327 1 21 . 1 1 72 72 ALA N N 72 122.000 122.000 122.670 -0.670 19286 6328 1 21 . 1 1 72 72 ALA CB C 72 20.110 20.110 17.793 2.317 19286 6329 1 21 . 1 1 72 72 ALA H H 72 6.890 6.890 8.038 -1.148 19286 6330 1 21 . 1 1 73 73 ASP N N 73 116.020 116.020 118.517 -2.497 19286 6331 1 21 . 1 1 73 73 ASP H H 73 8.610 8.610 7.567 1.043 19286 6332 1 21 . 1 1 74 74 ILE N N 74 120.950 120.950 120.457 0.493 19286 6333 1 21 . 1 1 74 74 ILE H H 74 7.060 7.060 7.464 -0.404 19286 6334 1 21 . 1 1 75 75 LEU N N 75 119.760 119.760 120.220 -0.460 19286 6335 1 21 . 1 1 75 75 LEU H H 75 7.460 7.460 8.672 -1.212 19286 6336 1 21 . 1 1 76 76 ALA N N 76 121.160 121.160 119.490 1.670 19286 6337 1 21 . 1 1 76 76 ALA H H 76 8.910 8.910 7.923 0.987 19286 6338 1 21 . 1 1 77 77 GLU N N 77 120.340 120.340 117.915 2.425 19286 6339 1 21 . 1 1 77 77 GLU H H 77 7.800 7.800 8.100 -0.300 19286 6340 1 21 . 1 1 78 78 ARG N N 78 116.210 116.210 113.520 2.690 19286 6341 1 21 . 1 1 78 78 ARG H H 78 7.740 7.740 7.354 0.386 19286 6342 1 21 . 1 1 79 79 ASN N N 79 116.230 116.230 118.061 -1.831 19286 6343 1 21 . 1 1 79 79 ASN H H 79 8.030 8.030 7.499 0.531 19286 6344 1 21 . 1 1 80 80 VAL N N 80 121.200 121.200 121.122 0.078 19286 6345 1 21 . 1 1 80 80 VAL H H 80 8.200 8.200 7.555 0.645 19286 6346 1 21 . 1 1 82 82 PHE N N 82 113.440 113.440 117.221 -3.781 19286 6347 1 21 . 1 1 82 82 PHE HA H 82 5.690 5.690 5.058 0.632 19286 6348 1 21 . 1 1 82 82 PHE CA C 82 55.480 55.480 55.658 -0.178 19286 6349 1 21 . 1 1 82 82 PHE CB C 82 43.610 43.610 40.562 3.048 19286 6350 1 21 . 1 1 82 82 PHE H H 82 7.310 7.310 7.273 0.037 19286 6351 1 21 . 1 1 83 83 ILE N N 83 115.230 115.230 119.085 -3.855 19286 6352 1 21 . 1 1 83 83 ILE HA H 83 4.260 4.260 3.853 0.407 19286 6353 1 21 . 1 1 83 83 ILE CA C 83 59.690 59.690 60.045 -0.356 19286 6354 1 21 . 1 1 83 83 ILE H H 83 7.880 7.880 7.948 -0.068 19286 6355 1 21 . 1 1 84 84 PHE N N 84 122.680 122.680 123.274 -0.594 19286 6356 1 21 . 1 1 84 84 PHE HA H 84 6.190 6.190 4.767 1.423 19286 6357 1 21 . 1 1 84 84 PHE CA C 84 55.470 55.470 57.194 -1.724 19286 6358 1 21 . 1 1 84 84 PHE H H 84 8.360 8.360 8.435 -0.075 19286 6359 1 21 . 1 1 85 85 ALA N N 85 123.760 123.760 124.008 -0.248 19286 6360 1 21 . 1 1 85 85 ALA HA H 85 5.540 5.540 5.459 0.081 19286 6361 1 21 . 1 1 85 85 ALA CA C 85 50.940 50.940 51.486 -0.546 19286 6362 1 21 . 1 1 85 85 ALA H H 85 8.570 8.570 7.939 0.631 19286 6363 1 21 . 1 1 86 86 THR N N 86 114.260 114.260 114.134 0.126 19286 6364 1 21 . 1 1 86 86 THR HA H 86 4.290 4.290 4.507 -0.217 19286 6365 1 21 . 1 1 86 86 THR CA C 86 56.720 56.720 61.876 -5.156 19286 6366 1 21 . 1 1 86 86 THR CB C 86 69.610 69.610 69.750 -0.140 19286 6367 1 21 . 1 1 86 86 THR H H 86 8.640 8.640 8.791 -0.151 19286 6368 1 21 . 1 1 87 87 GLY N N 87 112.830 112.830 110.588 2.242 19286 6369 1 21 . 1 1 87 87 GLY H H 87 8.590 8.590 8.842 -0.252 19286 6370 1 21 . 1 1 89 89 GLY N N 89 111.750 111.750 107.150 4.600 19286 6371 1 21 . 1 1 89 89 GLY H H 89 8.300 8.300 7.634 0.666 19286 6372 1 21 . 1 1 90 90 SER CA C 90 57.970 57.970 59.394 -1.424 19286 6373 1 21 . 1 1 90 90 SER H H 90 4.990 4.990 8.327 -3.337 19286 6374 1 21 . 1 1 91 91 LYS N N 91 122.950 122.950 118.749 4.201 19286 6375 1 21 . 1 1 91 91 LYS H H 91 8.180 8.180 7.359 0.821 19286 6376 1 21 . 1 1 92 92 GLY N N 92 109.390 109.390 107.520 1.870 19286 6377 1 21 . 1 1 92 92 GLY H H 92 8.320 8.320 8.318 0.002 19286 6378 1 21 . 1 1 93 93 LEU N N 93 121.760 121.760 118.717 3.043 19286 6379 1 21 . 1 1 93 93 LEU CB C 93 42.970 42.970 42.312 0.658 19286 6380 1 21 . 1 1 93 93 LEU H H 93 7.910 7.910 7.462 0.448 19286 6381 1 21 . 1 1 94 94 ASP N N 94 122.710 122.710 121.512 1.198 19286 6382 1 21 . 1 1 94 94 ASP H H 94 7.650 7.650 8.391 -0.741 19286 6383 1 21 . 1 1 95 95 THR N N 95 117.650 117.650 114.313 3.337 19286 6384 1 21 . 1 1 95 95 THR H H 95 8.210 8.210 8.118 0.092 19286 6385 1 21 . 1 1 96 96 ARG N N 96 122.360 122.360 120.877 1.483 19286 6386 1 21 . 1 1 96 96 ARG H H 96 8.700 8.700 8.499 0.201 19286 6387 1 21 . 1 1 97 97 TYR N N 97 117.080 117.080 118.885 -1.805 19286 6388 1 21 . 1 1 97 97 TYR CB C 97 39.220 39.220 39.027 0.193 19286 6389 1 21 . 1 1 97 97 TYR H H 97 8.000 8.000 7.730 0.270 19286 6390 1 21 . 1 1 98 98 SER N N 98 114.730 114.730 110.095 4.635 19286 6391 1 21 . 1 1 98 98 SER H H 98 7.580 7.580 8.301 -0.721 19286 6392 1 21 . 1 1 99 99 ASN N N 99 117.230 117.230 117.985 -0.755 19286 6393 1 21 . 1 1 99 99 ASN H H 99 8.600 8.600 8.762 -0.162 19286 6394 1 21 . 1 1 100 100 ILE N N 100 124.250 124.250 113.341 10.909 19286 6395 1 21 . 1 1 100 100 ILE H H 100 7.520 7.520 8.377 -0.857 19286 6396 1 21 . 1 1 102 102 LEU N N 102 121.060 121.060 119.530 1.530 19286 6397 1 21 . 1 1 102 102 LEU H H 102 7.870 7.870 7.552 0.318 19286 6398 1 21 . 1 1 103 103 LEU N N 103 126.970 126.970 114.364 12.606 19286 6399 1 21 . 1 1 103 103 LEU HA H 103 4.620 4.620 4.772 -0.152 19286 6400 1 21 . 1 1 103 103 LEU CA C 103 54.690 54.690 54.801 -0.112 19286 6401 1 21 . 1 1 103 103 LEU H H 103 9.080 9.080 8.002 1.078 19286 6402 1 21 . 1 1 104 104 THR N N 104 118.430 118.430 115.053 3.377 19286 6403 1 21 . 1 1 104 104 THR HA H 104 4.760 4.760 4.519 0.241 19286 6404 1 21 . 1 1 104 104 THR CA C 104 63.440 63.440 61.153 2.287 19286 6405 1 21 . 1 1 104 104 THR H H 104 8.430 8.430 8.308 0.122 19286 6406 1 21 . 1 1 105 105 LYS N N 105 122.030 122.030 119.363 2.667 19286 6407 1 21 . 1 1 105 105 LYS HA H 105 4.290 4.290 4.230 0.060 19286 6408 1 21 . 1 1 105 105 LYS CA C 105 54.690 54.690 54.825 -0.135 19286 6409 1 21 . 1 1 105 105 LYS H H 105 8.170 8.170 8.173 -0.003 19286 6410 1 21 . 1 1 107 107 PHE N N 107 118.490 118.490 112.749 5.741 19286 6411 1 21 . 1 1 107 107 PHE H H 107 7.470 7.470 7.887 -0.417 19286 6412 1 21 . 1 1 109 109 ASP N N 109 124.810 124.810 114.357 10.453 19286 6413 1 21 . 1 1 109 109 ASP HA H 109 4.710 4.710 4.628 0.082 19286 6414 1 21 . 1 1 109 109 ASP H H 109 9.130 9.130 8.094 1.036 19286 6415 1 21 . 1 1 110 110 SER HA H 110 4.270 4.270 4.457 -0.187 19286 6416 1 21 . 1 1 110 110 SER CA C 110 59.690 59.690 59.521 0.169 19286 6417 1 21 . 1 1 111 111 GLU N N 111 123.780 123.780 122.891 0.889 19286 6418 1 21 . 1 1 111 111 GLU HA H 111 4.060 4.060 3.847 0.213 19286 6419 1 21 . 1 1 111 111 GLU CA C 111 58.440 58.440 59.742 -1.302 19286 6420 1 21 . 1 1 111 111 GLU H H 111 7.410 7.410 8.775 -1.365 19286 6421 1 21 . 1 1 112 112 LEU N N 112 120.180 120.180 115.766 4.414 19286 6422 1 21 . 1 1 112 112 LEU HA H 112 3.900 3.900 4.049 -0.149 19286 6423 1 21 . 1 1 112 112 LEU CA C 112 58.440 58.440 57.861 0.579 19286 6424 1 21 . 1 1 112 112 LEU H H 112 7.670 7.670 7.721 -0.051 19286 6425 1 21 . 1 1 113 113 GLU N N 113 118.380 118.380 120.225 -1.845 19286 6426 1 21 . 1 1 113 113 GLU HA H 113 3.730 3.730 3.836 -0.106 19286 6427 1 21 . 1 1 113 113 GLU CA C 113 60.940 60.940 59.753 1.187 19286 6428 1 21 . 1 1 113 113 GLU H H 113 8.530 8.530 8.503 0.027 19286 6429 1 21 . 1 1 114 114 ALA N N 114 117.790 117.790 120.911 -3.121 19286 6430 1 21 . 1 1 114 114 ALA HA H 114 4.140 4.140 4.076 0.064 19286 6431 1 21 . 1 1 114 114 ALA CA C 114 55.540 55.540 54.984 0.556 19286 6432 1 21 . 1 1 114 114 ALA CB C 114 18.440 18.440 18.606 -0.166 19286 6433 1 21 . 1 1 114 114 ALA H H 114 7.480 7.480 7.603 -0.123 19286 6434 1 21 . 1 1 115 115 VAL N N 115 116.000 116.000 114.440 1.560 19286 6435 1 21 . 1 1 115 115 VAL HA H 115 4.030 4.030 4.063 -0.033 19286 6436 1 21 . 1 1 115 115 VAL CA C 115 65.940 65.940 63.916 2.025 19286 6437 1 21 . 1 1 115 115 VAL H H 115 7.540 7.540 7.482 0.058 19286 6438 1 21 . 1 1 116 116 LEU HA H 116 4.280 4.280 4.465 -0.185 19286 6439 1 21 . 1 1 116 116 LEU CA C 116 57.570 57.570 56.647 0.923 19286 6440 1 21 . 1 1 117 117 VAL N N 117 119.140 119.140 113.744 5.396 19286 6441 1 21 . 1 1 117 117 VAL H H 117 8.200 8.200 7.949 0.251 19286 6442 1 21 . 1 1 120 120 SER N N 120 115.730 115.730 115.859 -0.129 19286 6443 1 21 . 1 1 120 120 SER H H 120 7.780 7.780 7.463 0.317 19286 6444 1 21 . 1 1 121 121 LYS N N 121 120.870 120.870 122.969 -2.099 19286 6445 1 21 . 1 1 121 121 LYS H H 121 7.540 7.540 8.273 -0.733 19286 6446 1 21 . 1 1 122 122 GLU N N 122 120.160 120.160 120.541 -0.381 19286 6447 1 21 . 1 1 122 122 GLU H H 122 8.140 8.140 8.335 -0.195 19286 6448 1 22 . 1 1 4 4 MET N N 4 121.520 121.520 118.284 3.236 19286 6449 1 22 . 1 1 4 4 MET H H 4 8.450 8.450 8.437 0.013 19286 6450 1 22 . 1 1 5 5 THR N N 5 115.270 115.270 113.702 1.568 19286 6451 1 22 . 1 1 5 5 THR H H 5 8.090 8.090 8.060 0.030 19286 6452 1 22 . 1 1 6 6 GLU N N 6 123.580 123.580 120.148 3.432 19286 6453 1 22 . 1 1 6 6 GLU H H 6 8.430 8.430 8.699 -0.269 19286 6454 1 22 . 1 1 7 7 ARG N N 7 120.850 120.850 120.966 -0.116 19286 6455 1 22 . 1 1 7 7 ARG H H 7 8.030 8.030 8.578 -0.548 19286 6456 1 22 . 1 1 8 8 ARG N N 8 125.410 125.410 120.427 4.983 19286 6457 1 22 . 1 1 8 8 ARG HA H 8 4.370 4.370 4.362 0.008 19286 6458 1 22 . 1 1 8 8 ARG H H 8 8.310 8.310 7.991 0.319 19286 6459 1 22 . 1 1 9 9 LEU N N 9 130.330 130.330 119.988 10.342 19286 6460 1 22 . 1 1 9 9 LEU HA H 9 4.610 4.610 4.605 0.005 19286 6461 1 22 . 1 1 9 9 LEU H H 9 11.100 11.100 8.029 3.071 19286 6462 1 22 . 1 1 10 10 ARG N N 10 121.420 121.420 119.824 1.596 19286 6463 1 22 . 1 1 10 10 ARG HA H 10 5.010 5.010 4.608 0.402 19286 6464 1 22 . 1 1 10 10 ARG CA C 10 55.940 55.940 53.621 2.319 19286 6465 1 22 . 1 1 10 10 ARG H H 10 9.620 9.620 7.619 2.001 19286 6466 1 22 . 1 1 11 11 VAL N N 11 125.110 125.110 121.212 3.898 19286 6467 1 22 . 1 1 11 11 VAL HA H 11 4.970 4.970 4.208 0.762 19286 6468 1 22 . 1 1 11 11 VAL H H 11 9.210 9.210 8.433 0.777 19286 6469 1 22 . 1 1 12 12 LEU N N 12 130.050 130.050 129.305 0.745 19286 6470 1 22 . 1 1 12 12 LEU HA H 12 4.780 4.780 4.542 0.238 19286 6471 1 22 . 1 1 12 12 LEU H H 12 8.260 8.260 9.087 -0.827 19286 6472 1 22 . 1 1 13 13 VAL N N 13 128.060 128.060 125.045 3.015 19286 6473 1 22 . 1 1 13 13 VAL HA H 13 4.610 4.610 4.218 0.392 19286 6474 1 22 . 1 1 13 13 VAL H H 13 8.330 8.330 8.178 0.152 19286 6475 1 22 . 1 1 14 14 VAL N N 14 128.470 128.470 120.434 8.036 19286 6476 1 22 . 1 1 14 14 VAL HA H 14 4.700 4.700 4.623 0.077 19286 6477 1 22 . 1 1 14 14 VAL H H 14 8.840 8.840 9.209 -0.369 19286 6478 1 22 . 1 1 15 15 GLU N N 15 124.840 124.840 121.672 3.168 19286 6479 1 22 . 1 1 15 15 GLU HA H 15 4.620 4.620 4.430 0.190 19286 6480 1 22 . 1 1 15 15 GLU H H 15 7.950 7.950 8.294 -0.344 19286 6481 1 22 . 1 1 16 16 ASP N N 16 125.840 125.840 123.562 2.278 19286 6482 1 22 . 1 1 16 16 ASP HA H 16 4.540 4.540 4.261 0.279 19286 6483 1 22 . 1 1 16 16 ASP H H 16 9.360 9.360 8.679 0.681 19286 6484 1 22 . 1 1 17 17 GLU HA H 17 4.290 4.290 4.333 -0.043 19286 6485 1 22 . 1 1 17 17 GLU CA C 17 55.540 55.540 56.227 -0.687 19286 6486 1 22 . 1 1 18 18 SER N N 18 124.990 124.990 118.636 6.354 19286 6487 1 22 . 1 1 18 18 SER HA H 18 4.610 4.610 4.457 0.153 19286 6488 1 22 . 1 1 18 18 SER H H 18 8.820 8.820 8.665 0.155 19286 6489 1 22 . 1 1 19 19 MET N N 19 119.940 119.940 121.409 -1.469 19286 6490 1 22 . 1 1 19 19 MET H H 19 9.030 9.030 8.052 0.978 19286 6491 1 22 . 1 1 20 20 ILE N N 20 118.700 118.700 117.260 1.440 19286 6492 1 22 . 1 1 20 20 ILE H H 20 7.200 7.200 8.243 -1.043 19286 6493 1 22 . 1 1 21 21 ALA N N 21 123.500 123.500 123.170 0.330 19286 6494 1 22 . 1 1 21 21 ALA CB C 21 18.860 18.860 18.288 0.572 19286 6495 1 22 . 1 1 21 21 ALA H H 21 8.370 8.370 7.524 0.846 19286 6496 1 22 . 1 1 22 22 MET N N 22 115.790 115.790 118.245 -2.455 19286 6497 1 22 . 1 1 22 22 MET HA H 22 4.160 4.160 4.210 -0.050 19286 6498 1 22 . 1 1 22 22 MET CA C 22 58.440 58.440 57.428 1.012 19286 6499 1 22 . 1 1 22 22 MET H H 22 8.090 8.090 7.923 0.167 19286 6500 1 22 . 1 1 23 23 LEU N N 23 120.400 120.400 120.564 -0.164 19286 6501 1 22 . 1 1 23 23 LEU H H 23 7.490 7.490 7.534 -0.044 19286 6502 1 22 . 1 1 24 24 ILE N N 24 120.840 120.840 120.699 0.141 19286 6503 1 22 . 1 1 24 24 ILE HA H 24 3.520 3.520 4.118 -0.598 19286 6504 1 22 . 1 1 24 24 ILE CA C 24 67.190 67.190 62.938 4.252 19286 6505 1 22 . 1 1 24 24 ILE CB C 24 38.440 38.440 39.355 -0.915 19286 6506 1 22 . 1 1 24 24 ILE H H 24 8.630 8.630 8.725 -0.095 19286 6507 1 22 . 1 1 25 25 GLU N N 25 119.380 119.380 119.775 -0.395 19286 6508 1 22 . 1 1 25 25 GLU H H 25 8.550 8.550 7.984 0.566 19286 6509 1 22 . 1 1 26 26 ASP N N 26 119.700 119.700 116.242 3.458 19286 6510 1 22 . 1 1 26 26 ASP H H 26 8.890 8.890 7.704 1.186 19286 6511 1 22 . 1 1 27 27 THR N N 27 117.460 117.460 113.354 4.106 19286 6512 1 22 . 1 1 27 27 THR HA H 27 4.270 4.270 4.102 0.168 19286 6513 1 22 . 1 1 27 27 THR CA C 27 68.890 68.890 65.392 3.498 19286 6514 1 22 . 1 1 27 27 THR H H 27 8.100 8.100 7.261 0.839 19286 6515 1 22 . 1 1 28 28 LEU N N 28 120.440 120.440 123.710 -3.270 19286 6516 1 22 . 1 1 28 28 LEU HA H 28 3.920 3.920 4.218 -0.298 19286 6517 1 22 . 1 1 28 28 LEU CA C 28 58.440 58.440 58.320 0.120 19286 6518 1 22 . 1 1 28 28 LEU H H 28 8.610 8.610 8.783 -0.173 19286 6519 1 22 . 1 1 29 29 CYS N N 29 116.920 116.920 116.757 0.163 19286 6520 1 22 . 1 1 29 29 CYS H H 29 8.180 8.180 7.758 0.422 19286 6521 1 22 . 1 1 30 30 GLU N N 30 122.820 122.820 117.660 5.160 19286 6522 1 22 . 1 1 30 30 GLU HA H 30 4.160 4.160 4.222 -0.062 19286 6523 1 22 . 1 1 30 30 GLU CA C 30 59.690 59.690 57.840 1.851 19286 6524 1 22 . 1 1 30 30 GLU H H 30 8.060 8.060 7.512 0.548 19286 6525 1 22 . 1 1 31 31 LEU N N 31 116.980 116.980 119.845 -2.865 19286 6526 1 22 . 1 1 31 31 LEU H H 31 7.660 7.660 8.234 -0.574 19286 6527 1 22 . 1 1 32 32 GLY N N 32 105.410 105.410 104.949 0.461 19286 6528 1 22 . 1 1 32 32 GLY H H 32 7.600 7.600 8.227 -0.627 19286 6529 1 22 . 1 1 33 33 HIS N N 33 119.380 119.380 118.327 1.053 19286 6530 1 22 . 1 1 33 33 HIS HA H 33 5.130 5.130 4.339 0.791 19286 6531 1 22 . 1 1 33 33 HIS CA C 33 56.350 56.350 57.863 -1.513 19286 6532 1 22 . 1 1 33 33 HIS CB C 33 33.470 33.470 30.127 3.343 19286 6533 1 22 . 1 1 33 33 HIS H H 33 7.780 7.780 7.621 0.159 19286 6534 1 22 . 1 1 34 34 GLU N N 34 117.930 117.930 120.108 -2.178 19286 6535 1 22 . 1 1 34 34 GLU H H 34 8.870 8.870 8.453 0.417 19286 6536 1 22 . 1 1 35 35 VAL N N 35 125.860 125.860 119.748 6.112 19286 6537 1 22 . 1 1 35 35 VAL HA H 35 4.710 4.710 4.223 0.487 19286 6538 1 22 . 1 1 35 35 VAL H H 35 8.870 8.870 8.064 0.806 19286 6539 1 22 . 1 1 36 36 ALA N N 36 132.950 132.950 130.414 2.536 19286 6540 1 22 . 1 1 36 36 ALA HA H 36 4.200 4.200 4.360 -0.160 19286 6541 1 22 . 1 1 36 36 ALA CB C 36 23.860 23.860 19.711 4.149 19286 6542 1 22 . 1 1 36 36 ALA H H 36 9.110 9.110 8.201 0.909 19286 6543 1 22 . 1 1 37 37 ALA N N 37 115.420 115.420 119.135 -3.715 19286 6544 1 22 . 1 1 37 37 ALA H H 37 7.480 7.480 8.034 -0.554 19286 6545 1 22 . 1 1 38 38 THR N N 38 112.980 112.980 111.385 1.595 19286 6546 1 22 . 1 1 38 38 THR H H 38 8.170 8.170 8.030 0.140 19286 6547 1 22 . 1 1 39 39 ALA CB C 39 22.610 22.610 18.988 3.622 19286 6548 1 22 . 1 1 40 40 SER N N 40 113.630 113.630 115.695 -2.065 19286 6549 1 22 . 1 1 40 40 SER HA H 40 4.450 4.450 4.397 0.053 19286 6550 1 22 . 1 1 40 40 SER CA C 40 57.480 57.480 58.340 -0.860 19286 6551 1 22 . 1 1 40 40 SER H H 40 8.980 8.980 8.483 0.497 19286 6552 1 22 . 1 1 41 41 ARG N N 41 117.890 117.890 128.114 -10.224 19286 6553 1 22 . 1 1 41 41 ARG CB C 41 34.110 34.110 32.077 2.033 19286 6554 1 22 . 1 1 41 41 ARG H H 41 7.340 7.340 8.431 -1.091 19286 6555 1 22 . 1 1 42 42 MET N N 42 123.460 123.460 125.602 -2.142 19286 6556 1 22 . 1 1 42 42 MET HA H 42 4.040 4.040 3.762 0.278 19286 6557 1 22 . 1 1 42 42 MET H H 42 9.340 9.340 8.967 0.373 19286 6558 1 22 . 1 1 43 43 GLN N N 43 117.010 117.010 119.827 -2.817 19286 6559 1 22 . 1 1 43 43 GLN H H 43 8.940 8.940 8.488 0.452 19286 6560 1 22 . 1 1 44 44 GLU N N 44 117.430 117.430 118.282 -0.852 19286 6561 1 22 . 1 1 44 44 GLU CB C 44 26.690 26.690 29.344 -2.654 19286 6562 1 22 . 1 1 44 44 GLU H H 44 7.160 7.160 8.370 -1.210 19286 6563 1 22 . 1 1 45 45 ALA N N 45 121.060 121.060 123.197 -2.137 19286 6564 1 22 . 1 1 45 45 ALA HA H 45 3.680 3.680 3.915 -0.235 19286 6565 1 22 . 1 1 45 45 ALA CA C 45 55.940 55.940 55.236 0.704 19286 6566 1 22 . 1 1 45 45 ALA CB C 45 20.940 20.940 18.172 2.768 19286 6567 1 22 . 1 1 45 45 ALA H H 45 8.220 8.220 8.641 -0.421 19286 6568 1 22 . 1 1 46 46 LEU N N 46 116.750 116.750 118.237 -1.487 19286 6569 1 22 . 1 1 46 46 LEU H H 46 8.350 8.350 7.629 0.721 19286 6570 1 22 . 1 1 47 47 ASP N N 47 117.760 117.760 119.622 -1.862 19286 6571 1 22 . 1 1 47 47 ASP H H 47 7.400 7.400 7.871 -0.471 19286 6572 1 22 . 1 1 48 48 ILE N N 48 118.660 118.660 115.879 2.781 19286 6573 1 22 . 1 1 48 48 ILE H H 48 8.220 8.220 7.523 0.697 19286 6574 1 22 . 1 1 49 49 ALA N N 49 123.150 123.150 122.707 0.443 19286 6575 1 22 . 1 1 49 49 ALA HA H 49 4.040 4.040 3.994 0.046 19286 6576 1 22 . 1 1 49 49 ALA CA C 49 55.940 55.940 53.779 2.160 19286 6577 1 22 . 1 1 49 49 ALA CB C 49 18.120 18.120 19.396 -1.276 19286 6578 1 22 . 1 1 49 49 ALA H H 49 8.610 8.610 7.522 1.088 19286 6579 1 22 . 1 1 50 50 ARG N N 50 113.110 113.110 117.720 -4.610 19286 6580 1 22 . 1 1 50 50 ARG CB C 50 26.570 26.570 29.862 -3.292 19286 6581 1 22 . 1 1 50 50 ARG H H 50 7.440 7.440 8.310 -0.870 19286 6582 1 22 . 1 1 51 51 LYS N N 51 114.910 114.910 118.901 -3.991 19286 6583 1 22 . 1 1 51 51 LYS H H 51 7.550 7.550 8.017 -0.467 19286 6584 1 22 . 1 1 52 52 GLY N N 52 108.150 108.150 106.324 1.826 19286 6585 1 22 . 1 1 52 52 GLY H H 52 8.920 8.920 8.276 0.644 19286 6586 1 22 . 1 1 53 53 GLN N N 53 120.450 120.450 121.191 -0.741 19286 6587 1 22 . 1 1 53 53 GLN H H 53 8.320 8.320 8.446 -0.126 19286 6588 1 22 . 1 1 54 54 PHE N N 54 119.090 119.090 116.547 2.543 19286 6589 1 22 . 1 1 54 54 PHE H H 54 7.180 7.180 8.117 -0.937 19286 6590 1 22 . 1 1 55 55 ASP N N 55 117.290 117.290 119.270 -1.980 19286 6591 1 22 . 1 1 55 55 ASP H H 55 9.330 9.330 8.089 1.241 19286 6592 1 22 . 1 1 56 56 ILE N N 56 109.550 109.550 117.112 -7.562 19286 6593 1 22 . 1 1 56 56 ILE HA H 56 5.220 5.220 4.360 0.860 19286 6594 1 22 . 1 1 56 56 ILE CA C 56 59.690 59.690 60.160 -0.470 19286 6595 1 22 . 1 1 56 56 ILE H H 56 7.690 7.690 8.070 -0.380 19286 6596 1 22 . 1 1 57 57 ALA N N 57 122.390 122.390 124.895 -2.505 19286 6597 1 22 . 1 1 57 57 ALA HA H 57 5.480 5.480 5.334 0.146 19286 6598 1 22 . 1 1 57 57 ALA CA C 57 50.940 50.940 51.375 -0.435 19286 6599 1 22 . 1 1 57 57 ALA H H 57 8.000 8.000 8.492 -0.492 19286 6600 1 22 . 1 1 59 59 ILE N N 59 122.950 122.950 129.837 -6.887 19286 6601 1 22 . 1 1 59 59 ILE HA H 59 4.990 4.990 4.658 0.332 19286 6602 1 22 . 1 1 59 59 ILE CA C 59 57.190 57.190 59.726 -2.536 19286 6603 1 22 . 1 1 59 59 ILE H H 59 8.930 8.930 7.577 1.353 19286 6604 1 22 . 1 1 60 60 ASP N N 60 127.320 127.320 123.036 4.284 19286 6605 1 22 . 1 1 60 60 ASP HA H 60 5.100 5.100 4.737 0.363 19286 6606 1 22 . 1 1 60 60 ASP CA C 60 55.100 55.100 54.314 0.786 19286 6607 1 22 . 1 1 60 60 ASP H H 60 8.360 8.360 7.399 0.961 19286 6608 1 22 . 1 1 61 61 VAL N N 61 121.040 121.040 117.910 3.130 19286 6609 1 22 . 1 1 61 61 VAL HA H 61 3.700 3.700 3.737 -0.037 19286 6610 1 22 . 1 1 61 61 VAL CA C 61 64.630 64.630 63.514 1.116 19286 6611 1 22 . 1 1 61 61 VAL CB C 61 31.590 31.590 31.122 0.468 19286 6612 1 22 . 1 1 61 61 VAL H H 61 8.540 8.540 8.551 -0.011 19286 6613 1 22 . 1 1 63 63 LEU N N 63 121.830 121.830 119.798 2.032 19286 6614 1 22 . 1 1 63 63 LEU HA H 63 4.400 4.400 4.344 0.056 19286 6615 1 22 . 1 1 63 63 LEU CA C 63 52.810 52.810 54.353 -1.543 19286 6616 1 22 . 1 1 63 63 LEU H H 63 8.960 8.960 7.172 1.788 19286 6617 1 22 . 1 1 64 64 ASP N N 64 128.450 128.450 120.270 8.180 19286 6618 1 22 . 1 1 64 64 ASP HA H 64 4.290 4.290 4.376 -0.086 19286 6619 1 22 . 1 1 64 64 ASP CA C 64 55.940 55.940 55.965 -0.025 19286 6620 1 22 . 1 1 64 64 ASP CB C 64 40.390 40.390 40.438 -0.048 19286 6621 1 22 . 1 1 64 64 ASP H H 64 9.840 9.840 8.858 0.982 19286 6622 1 22 . 1 1 65 65 GLY N N 65 133.580 133.580 102.441 31.139 19286 6623 1 22 . 1 1 65 65 GLY H H 65 8.400 8.400 7.759 0.641 19286 6624 1 22 . 1 1 66 66 GLU N N 66 121.110 121.110 118.981 2.129 19286 6625 1 22 . 1 1 66 66 GLU HA H 66 4.920 4.920 3.927 0.993 19286 6626 1 22 . 1 1 66 66 GLU CA C 66 53.100 53.100 56.473 -3.373 19286 6627 1 22 . 1 1 66 66 GLU H H 66 7.790 7.790 7.686 0.104 19286 6628 1 22 . 1 1 69 69 TYR N N 69 120.020 120.020 117.357 2.663 19286 6629 1 22 . 1 1 69 69 TYR HA H 69 4.410 4.410 4.145 0.265 19286 6630 1 22 . 1 1 69 69 TYR CA C 69 60.970 60.970 57.777 3.193 19286 6631 1 22 . 1 1 69 69 TYR H H 69 6.480 6.480 7.251 -0.771 19286 6632 1 22 . 1 1 71 71 VAL N N 71 115.000 115.000 121.186 -6.186 19286 6633 1 22 . 1 1 71 71 VAL H H 71 7.640 7.640 7.763 -0.123 19286 6634 1 22 . 1 1 72 72 ALA N N 72 122.000 122.000 121.517 0.483 19286 6635 1 22 . 1 1 72 72 ALA CB C 72 20.110 20.110 18.035 2.075 19286 6636 1 22 . 1 1 72 72 ALA H H 72 6.890 6.890 8.040 -1.150 19286 6637 1 22 . 1 1 73 73 ASP N N 73 116.020 116.020 118.960 -2.940 19286 6638 1 22 . 1 1 73 73 ASP H H 73 8.610 8.610 7.643 0.967 19286 6639 1 22 . 1 1 74 74 ILE N N 74 120.950 120.950 120.211 0.739 19286 6640 1 22 . 1 1 74 74 ILE H H 74 7.060 7.060 7.460 -0.400 19286 6641 1 22 . 1 1 75 75 LEU N N 75 119.760 119.760 119.580 0.180 19286 6642 1 22 . 1 1 75 75 LEU H H 75 7.460 7.460 8.005 -0.545 19286 6643 1 22 . 1 1 76 76 ALA N N 76 121.160 121.160 120.505 0.655 19286 6644 1 22 . 1 1 76 76 ALA H H 76 8.910 8.910 7.747 1.163 19286 6645 1 22 . 1 1 77 77 GLU N N 77 120.340 120.340 118.426 1.914 19286 6646 1 22 . 1 1 77 77 GLU H H 77 7.800 7.800 7.596 0.204 19286 6647 1 22 . 1 1 78 78 ARG N N 78 116.210 116.210 115.627 0.583 19286 6648 1 22 . 1 1 78 78 ARG H H 78 7.740 7.740 7.536 0.204 19286 6649 1 22 . 1 1 79 79 ASN N N 79 116.230 116.230 119.872 -3.642 19286 6650 1 22 . 1 1 79 79 ASN H H 79 8.030 8.030 8.222 -0.192 19286 6651 1 22 . 1 1 80 80 VAL N N 80 121.200 121.200 117.795 3.405 19286 6652 1 22 . 1 1 80 80 VAL H H 80 8.200 8.200 7.837 0.363 19286 6653 1 22 . 1 1 82 82 PHE N N 82 113.440 113.440 120.926 -7.486 19286 6654 1 22 . 1 1 82 82 PHE HA H 82 5.690 5.690 5.159 0.531 19286 6655 1 22 . 1 1 82 82 PHE CA C 82 55.480 55.480 55.766 -0.286 19286 6656 1 22 . 1 1 82 82 PHE CB C 82 43.610 43.610 40.838 2.772 19286 6657 1 22 . 1 1 82 82 PHE H H 82 7.310 7.310 7.780 -0.470 19286 6658 1 22 . 1 1 83 83 ILE N N 83 115.230 115.230 117.951 -2.721 19286 6659 1 22 . 1 1 83 83 ILE HA H 83 4.260 4.260 3.417 0.843 19286 6660 1 22 . 1 1 83 83 ILE CA C 83 59.690 59.690 60.891 -1.200 19286 6661 1 22 . 1 1 83 83 ILE H H 83 7.880 7.880 7.580 0.300 19286 6662 1 22 . 1 1 84 84 PHE N N 84 122.680 122.680 123.408 -0.728 19286 6663 1 22 . 1 1 84 84 PHE HA H 84 6.190 6.190 5.065 1.125 19286 6664 1 22 . 1 1 84 84 PHE CA C 84 55.470 55.470 57.147 -1.677 19286 6665 1 22 . 1 1 84 84 PHE H H 84 8.360 8.360 8.395 -0.035 19286 6666 1 22 . 1 1 85 85 ALA N N 85 123.760 123.760 122.300 1.460 19286 6667 1 22 . 1 1 85 85 ALA HA H 85 5.540 5.540 5.688 -0.148 19286 6668 1 22 . 1 1 85 85 ALA CA C 85 50.940 50.940 52.116 -1.176 19286 6669 1 22 . 1 1 85 85 ALA H H 85 8.570 8.570 8.320 0.250 19286 6670 1 22 . 1 1 86 86 THR N N 86 114.260 114.260 113.468 0.792 19286 6671 1 22 . 1 1 86 86 THR HA H 86 4.290 4.290 4.699 -0.409 19286 6672 1 22 . 1 1 86 86 THR CA C 86 56.720 56.720 60.919 -4.199 19286 6673 1 22 . 1 1 86 86 THR CB C 86 69.610 69.610 69.338 0.272 19286 6674 1 22 . 1 1 86 86 THR H H 86 8.640 8.640 8.720 -0.080 19286 6675 1 22 . 1 1 87 87 GLY N N 87 112.830 112.830 110.366 2.464 19286 6676 1 22 . 1 1 87 87 GLY H H 87 8.590 8.590 8.876 -0.286 19286 6677 1 22 . 1 1 89 89 GLY N N 89 111.750 111.750 111.189 0.561 19286 6678 1 22 . 1 1 89 89 GLY H H 89 8.300 8.300 8.248 0.052 19286 6679 1 22 . 1 1 90 90 SER CA C 90 57.970 57.970 58.091 -0.121 19286 6680 1 22 . 1 1 90 90 SER H H 90 4.990 4.990 7.828 -2.838 19286 6681 1 22 . 1 1 91 91 LYS N N 91 122.950 122.950 120.923 2.027 19286 6682 1 22 . 1 1 91 91 LYS H H 91 8.180 8.180 7.105 1.075 19286 6683 1 22 . 1 1 92 92 GLY N N 92 109.390 109.390 104.442 4.948 19286 6684 1 22 . 1 1 92 92 GLY H H 92 8.320 8.320 8.248 0.072 19286 6685 1 22 . 1 1 93 93 LEU N N 93 121.760 121.760 117.997 3.763 19286 6686 1 22 . 1 1 93 93 LEU CB C 93 42.970 42.970 42.531 0.439 19286 6687 1 22 . 1 1 93 93 LEU H H 93 7.910 7.910 7.613 0.297 19286 6688 1 22 . 1 1 94 94 ASP N N 94 122.710 122.710 121.270 1.440 19286 6689 1 22 . 1 1 94 94 ASP H H 94 7.650 7.650 8.176 -0.526 19286 6690 1 22 . 1 1 95 95 THR N N 95 117.650 117.650 112.489 5.161 19286 6691 1 22 . 1 1 95 95 THR H H 95 8.210 8.210 8.252 -0.042 19286 6692 1 22 . 1 1 96 96 ARG N N 96 122.360 122.360 122.402 -0.042 19286 6693 1 22 . 1 1 96 96 ARG H H 96 8.700 8.700 9.027 -0.327 19286 6694 1 22 . 1 1 97 97 TYR N N 97 117.080 117.080 117.955 -0.875 19286 6695 1 22 . 1 1 97 97 TYR CB C 97 39.220 39.220 38.953 0.267 19286 6696 1 22 . 1 1 97 97 TYR H H 97 8.000 8.000 7.896 0.104 19286 6697 1 22 . 1 1 98 98 SER N N 98 114.730 114.730 110.926 3.804 19286 6698 1 22 . 1 1 98 98 SER H H 98 7.580 7.580 7.784 -0.204 19286 6699 1 22 . 1 1 99 99 ASN N N 99 117.230 117.230 114.050 3.180 19286 6700 1 22 . 1 1 99 99 ASN H H 99 8.600 8.600 8.943 -0.343 19286 6701 1 22 . 1 1 100 100 ILE N N 100 124.250 124.250 118.359 5.891 19286 6702 1 22 . 1 1 100 100 ILE H H 100 7.520 7.520 8.137 -0.617 19286 6703 1 22 . 1 1 102 102 LEU N N 102 121.060 121.060 119.261 1.799 19286 6704 1 22 . 1 1 102 102 LEU H H 102 7.870 7.870 7.818 0.052 19286 6705 1 22 . 1 1 103 103 LEU N N 103 126.970 126.970 117.587 9.383 19286 6706 1 22 . 1 1 103 103 LEU HA H 103 4.620 4.620 4.783 -0.163 19286 6707 1 22 . 1 1 103 103 LEU CA C 103 54.690 54.690 53.906 0.784 19286 6708 1 22 . 1 1 103 103 LEU H H 103 9.080 9.080 8.052 1.028 19286 6709 1 22 . 1 1 104 104 THR N N 104 118.430 118.430 113.375 5.055 19286 6710 1 22 . 1 1 104 104 THR HA H 104 4.760 4.760 4.659 0.101 19286 6711 1 22 . 1 1 104 104 THR CA C 104 63.440 63.440 59.764 3.676 19286 6712 1 22 . 1 1 104 104 THR H H 104 8.430 8.430 8.186 0.244 19286 6713 1 22 . 1 1 105 105 LYS N N 105 122.030 122.030 120.680 1.350 19286 6714 1 22 . 1 1 105 105 LYS HA H 105 4.290 4.290 4.320 -0.030 19286 6715 1 22 . 1 1 105 105 LYS CA C 105 54.690 54.690 56.805 -2.115 19286 6716 1 22 . 1 1 105 105 LYS H H 105 8.170 8.170 8.540 -0.370 19286 6717 1 22 . 1 1 107 107 PHE N N 107 118.490 118.490 118.265 0.225 19286 6718 1 22 . 1 1 107 107 PHE H H 107 7.470 7.470 8.601 -1.131 19286 6719 1 22 . 1 1 109 109 ASP N N 109 124.810 124.810 116.618 8.192 19286 6720 1 22 . 1 1 109 109 ASP HA H 109 4.710 4.710 4.322 0.388 19286 6721 1 22 . 1 1 109 109 ASP H H 109 9.130 9.130 8.807 0.323 19286 6722 1 22 . 1 1 110 110 SER HA H 110 4.270 4.270 4.297 -0.027 19286 6723 1 22 . 1 1 110 110 SER CA C 110 59.690 59.690 61.098 -1.408 19286 6724 1 22 . 1 1 111 111 GLU N N 111 123.780 123.780 122.508 1.272 19286 6725 1 22 . 1 1 111 111 GLU HA H 111 4.060 4.060 3.899 0.161 19286 6726 1 22 . 1 1 111 111 GLU CA C 111 58.440 58.440 59.186 -0.746 19286 6727 1 22 . 1 1 111 111 GLU H H 111 7.410 7.410 8.890 -1.480 19286 6728 1 22 . 1 1 112 112 LEU N N 112 120.180 120.180 118.473 1.707 19286 6729 1 22 . 1 1 112 112 LEU HA H 112 3.900 3.900 4.113 -0.213 19286 6730 1 22 . 1 1 112 112 LEU CA C 112 58.440 58.440 57.536 0.904 19286 6731 1 22 . 1 1 112 112 LEU H H 112 7.670 7.670 7.688 -0.018 19286 6732 1 22 . 1 1 113 113 GLU N N 113 118.380 118.380 119.510 -1.130 19286 6733 1 22 . 1 1 113 113 GLU HA H 113 3.730 3.730 3.795 -0.065 19286 6734 1 22 . 1 1 113 113 GLU CA C 113 60.940 60.940 59.400 1.540 19286 6735 1 22 . 1 1 113 113 GLU H H 113 8.530 8.530 8.321 0.209 19286 6736 1 22 . 1 1 114 114 ALA N N 114 117.790 117.790 120.714 -2.924 19286 6737 1 22 . 1 1 114 114 ALA HA H 114 4.140 4.140 4.081 0.059 19286 6738 1 22 . 1 1 114 114 ALA CA C 114 55.540 55.540 54.982 0.558 19286 6739 1 22 . 1 1 114 114 ALA CB C 114 18.440 18.440 18.877 -0.436 19286 6740 1 22 . 1 1 114 114 ALA H H 114 7.480 7.480 7.606 -0.126 19286 6741 1 22 . 1 1 115 115 VAL N N 115 116.000 116.000 115.264 0.736 19286 6742 1 22 . 1 1 115 115 VAL HA H 115 4.030 4.030 4.117 -0.087 19286 6743 1 22 . 1 1 115 115 VAL CA C 115 65.940 65.940 63.839 2.101 19286 6744 1 22 . 1 1 115 115 VAL H H 115 7.540 7.540 7.919 -0.379 19286 6745 1 22 . 1 1 116 116 LEU HA H 116 4.280 4.280 4.265 0.015 19286 6746 1 22 . 1 1 116 116 LEU CA C 116 57.570 57.570 57.617 -0.047 19286 6747 1 22 . 1 1 117 117 VAL N N 117 119.140 119.140 111.761 7.379 19286 6748 1 22 . 1 1 117 117 VAL H H 117 8.200 8.200 7.988 0.212 19286 6749 1 22 . 1 1 120 120 SER N N 120 115.730 115.730 115.978 -0.248 19286 6750 1 22 . 1 1 120 120 SER H H 120 7.780 7.780 7.807 -0.027 19286 6751 1 22 . 1 1 121 121 LYS N N 121 120.870 120.870 124.743 -3.873 19286 6752 1 22 . 1 1 121 121 LYS H H 121 7.540 7.540 8.434 -0.894 19286 6753 1 22 . 1 1 122 122 GLU N N 122 120.160 120.160 117.755 2.405 19286 6754 1 22 . 1 1 122 122 GLU H H 122 8.140 8.140 8.765 -0.625 19286 6755 1 23 . 1 1 4 4 MET N N 4 121.520 121.520 116.743 4.777 19286 6756 1 23 . 1 1 4 4 MET H H 4 8.450 8.450 8.198 0.252 19286 6757 1 23 . 1 1 5 5 THR N N 5 115.270 115.270 113.599 1.671 19286 6758 1 23 . 1 1 5 5 THR H H 5 8.090 8.090 7.520 0.570 19286 6759 1 23 . 1 1 6 6 GLU N N 6 123.580 123.580 118.641 4.939 19286 6760 1 23 . 1 1 6 6 GLU H H 6 8.430 8.430 8.602 -0.172 19286 6761 1 23 . 1 1 7 7 ARG N N 7 120.850 120.850 120.774 0.076 19286 6762 1 23 . 1 1 7 7 ARG H H 7 8.030 8.030 8.077 -0.047 19286 6763 1 23 . 1 1 8 8 ARG N N 8 125.410 125.410 118.241 7.169 19286 6764 1 23 . 1 1 8 8 ARG HA H 8 4.370 4.370 4.158 0.212 19286 6765 1 23 . 1 1 8 8 ARG H H 8 8.310 8.310 7.913 0.397 19286 6766 1 23 . 1 1 9 9 LEU N N 9 130.330 130.330 117.724 12.606 19286 6767 1 23 . 1 1 9 9 LEU HA H 9 4.610 4.610 4.405 0.205 19286 6768 1 23 . 1 1 9 9 LEU H H 9 11.100 11.100 7.784 3.316 19286 6769 1 23 . 1 1 10 10 ARG N N 10 121.420 121.420 122.768 -1.348 19286 6770 1 23 . 1 1 10 10 ARG HA H 10 5.010 5.010 4.598 0.412 19286 6771 1 23 . 1 1 10 10 ARG CA C 10 55.940 55.940 54.940 1.000 19286 6772 1 23 . 1 1 10 10 ARG H H 10 9.620 9.620 8.140 1.480 19286 6773 1 23 . 1 1 11 11 VAL N N 11 125.110 125.110 123.268 1.842 19286 6774 1 23 . 1 1 11 11 VAL HA H 11 4.970 4.970 4.209 0.761 19286 6775 1 23 . 1 1 11 11 VAL H H 11 9.210 9.210 8.399 0.811 19286 6776 1 23 . 1 1 12 12 LEU N N 12 130.050 130.050 130.095 -0.045 19286 6777 1 23 . 1 1 12 12 LEU HA H 12 4.780 4.780 4.443 0.337 19286 6778 1 23 . 1 1 12 12 LEU H H 12 8.260 8.260 8.620 -0.360 19286 6779 1 23 . 1 1 13 13 VAL N N 13 128.060 128.060 124.496 3.564 19286 6780 1 23 . 1 1 13 13 VAL HA H 13 4.610 4.610 4.233 0.377 19286 6781 1 23 . 1 1 13 13 VAL H H 13 8.330 8.330 8.405 -0.075 19286 6782 1 23 . 1 1 14 14 VAL N N 14 128.470 128.470 122.620 5.850 19286 6783 1 23 . 1 1 14 14 VAL HA H 14 4.700 4.700 4.804 -0.104 19286 6784 1 23 . 1 1 14 14 VAL H H 14 8.840 8.840 9.022 -0.182 19286 6785 1 23 . 1 1 15 15 GLU N N 15 124.840 124.840 123.541 1.299 19286 6786 1 23 . 1 1 15 15 GLU HA H 15 4.620 4.620 4.531 0.089 19286 6787 1 23 . 1 1 15 15 GLU H H 15 7.950 7.950 8.278 -0.328 19286 6788 1 23 . 1 1 16 16 ASP N N 16 125.840 125.840 120.820 5.020 19286 6789 1 23 . 1 1 16 16 ASP HA H 16 4.540 4.540 4.459 0.081 19286 6790 1 23 . 1 1 16 16 ASP H H 16 9.360 9.360 8.711 0.649 19286 6791 1 23 . 1 1 17 17 GLU HA H 17 4.290 4.290 4.437 -0.147 19286 6792 1 23 . 1 1 17 17 GLU CA C 17 55.540 55.540 55.130 0.410 19286 6793 1 23 . 1 1 18 18 SER N N 18 124.990 124.990 115.303 9.687 19286 6794 1 23 . 1 1 18 18 SER HA H 18 4.610 4.610 4.495 0.115 19286 6795 1 23 . 1 1 18 18 SER H H 18 8.820 8.820 8.777 0.043 19286 6796 1 23 . 1 1 19 19 MET N N 19 119.940 119.940 123.142 -3.202 19286 6797 1 23 . 1 1 19 19 MET H H 19 9.030 9.030 8.196 0.834 19286 6798 1 23 . 1 1 20 20 ILE N N 20 118.700 118.700 115.790 2.910 19286 6799 1 23 . 1 1 20 20 ILE H H 20 7.200 7.200 8.038 -0.838 19286 6800 1 23 . 1 1 21 21 ALA N N 21 123.500 123.500 124.189 -0.689 19286 6801 1 23 . 1 1 21 21 ALA CB C 21 18.860 18.860 18.799 0.061 19286 6802 1 23 . 1 1 21 21 ALA H H 21 8.370 8.370 7.952 0.418 19286 6803 1 23 . 1 1 22 22 MET N N 22 115.790 115.790 118.963 -3.173 19286 6804 1 23 . 1 1 22 22 MET HA H 22 4.160 4.160 4.289 -0.129 19286 6805 1 23 . 1 1 22 22 MET CA C 22 58.440 58.440 58.011 0.428 19286 6806 1 23 . 1 1 22 22 MET H H 22 8.090 8.090 7.655 0.435 19286 6807 1 23 . 1 1 23 23 LEU N N 23 120.400 120.400 119.138 1.262 19286 6808 1 23 . 1 1 23 23 LEU H H 23 7.490 7.490 7.596 -0.106 19286 6809 1 23 . 1 1 24 24 ILE N N 24 120.840 120.840 120.928 -0.088 19286 6810 1 23 . 1 1 24 24 ILE HA H 24 3.520 3.520 4.175 -0.655 19286 6811 1 23 . 1 1 24 24 ILE CA C 24 67.190 67.190 62.901 4.289 19286 6812 1 23 . 1 1 24 24 ILE CB C 24 38.440 38.440 39.714 -1.274 19286 6813 1 23 . 1 1 24 24 ILE H H 24 8.630 8.630 8.507 0.123 19286 6814 1 23 . 1 1 25 25 GLU N N 25 119.380 119.380 119.985 -0.605 19286 6815 1 23 . 1 1 25 25 GLU H H 25 8.550 8.550 7.849 0.701 19286 6816 1 23 . 1 1 26 26 ASP N N 26 119.700 119.700 116.245 3.455 19286 6817 1 23 . 1 1 26 26 ASP H H 26 8.890 8.890 7.795 1.095 19286 6818 1 23 . 1 1 27 27 THR N N 27 117.460 117.460 112.596 4.864 19286 6819 1 23 . 1 1 27 27 THR HA H 27 4.270 4.270 4.122 0.148 19286 6820 1 23 . 1 1 27 27 THR CA C 27 68.890 68.890 64.975 3.915 19286 6821 1 23 . 1 1 27 27 THR H H 27 8.100 8.100 7.551 0.549 19286 6822 1 23 . 1 1 28 28 LEU N N 28 120.440 120.440 121.909 -1.469 19286 6823 1 23 . 1 1 28 28 LEU HA H 28 3.920 3.920 4.349 -0.429 19286 6824 1 23 . 1 1 28 28 LEU CA C 28 58.440 58.440 57.028 1.412 19286 6825 1 23 . 1 1 28 28 LEU H H 28 8.610 8.610 8.788 -0.178 19286 6826 1 23 . 1 1 29 29 CYS N N 29 116.920 116.920 118.668 -1.748 19286 6827 1 23 . 1 1 29 29 CYS H H 29 8.180 8.180 7.755 0.425 19286 6828 1 23 . 1 1 30 30 GLU N N 30 122.820 122.820 119.243 3.577 19286 6829 1 23 . 1 1 30 30 GLU HA H 30 4.160 4.160 4.218 -0.058 19286 6830 1 23 . 1 1 30 30 GLU CA C 30 59.690 59.690 57.868 1.822 19286 6831 1 23 . 1 1 30 30 GLU H H 30 8.060 8.060 7.731 0.329 19286 6832 1 23 . 1 1 31 31 LEU N N 31 116.980 116.980 118.910 -1.930 19286 6833 1 23 . 1 1 31 31 LEU H H 31 7.660 7.660 7.902 -0.242 19286 6834 1 23 . 1 1 32 32 GLY N N 32 105.410 105.410 105.248 0.162 19286 6835 1 23 . 1 1 32 32 GLY H H 32 7.600 7.600 7.875 -0.275 19286 6836 1 23 . 1 1 33 33 HIS N N 33 119.380 119.380 117.190 2.190 19286 6837 1 23 . 1 1 33 33 HIS HA H 33 5.130 5.130 4.158 0.972 19286 6838 1 23 . 1 1 33 33 HIS CA C 33 56.350 56.350 57.774 -1.424 19286 6839 1 23 . 1 1 33 33 HIS CB C 33 33.470 33.470 30.044 3.426 19286 6840 1 23 . 1 1 33 33 HIS H H 33 7.780 7.780 7.562 0.218 19286 6841 1 23 . 1 1 34 34 GLU N N 34 117.930 117.930 122.451 -4.521 19286 6842 1 23 . 1 1 34 34 GLU H H 34 8.870 8.870 8.237 0.633 19286 6843 1 23 . 1 1 35 35 VAL N N 35 125.860 125.860 112.843 13.017 19286 6844 1 23 . 1 1 35 35 VAL HA H 35 4.710 4.710 4.372 0.338 19286 6845 1 23 . 1 1 35 35 VAL H H 35 8.870 8.870 7.959 0.911 19286 6846 1 23 . 1 1 36 36 ALA N N 36 132.950 132.950 130.074 2.876 19286 6847 1 23 . 1 1 36 36 ALA HA H 36 4.200 4.200 4.210 -0.010 19286 6848 1 23 . 1 1 36 36 ALA CB C 36 23.860 23.860 19.560 4.300 19286 6849 1 23 . 1 1 36 36 ALA H H 36 9.110 9.110 8.507 0.603 19286 6850 1 23 . 1 1 37 37 ALA N N 37 115.420 115.420 123.913 -8.493 19286 6851 1 23 . 1 1 37 37 ALA H H 37 7.480 7.480 8.051 -0.571 19286 6852 1 23 . 1 1 38 38 THR N N 38 112.980 112.980 116.682 -3.702 19286 6853 1 23 . 1 1 38 38 THR H H 38 8.170 8.170 8.178 -0.008 19286 6854 1 23 . 1 1 39 39 ALA CB C 39 22.610 22.610 18.859 3.751 19286 6855 1 23 . 1 1 40 40 SER N N 40 113.630 113.630 116.471 -2.841 19286 6856 1 23 . 1 1 40 40 SER HA H 40 4.450 4.450 4.348 0.102 19286 6857 1 23 . 1 1 40 40 SER CA C 40 57.480 57.480 58.889 -1.409 19286 6858 1 23 . 1 1 40 40 SER H H 40 8.980 8.980 8.587 0.393 19286 6859 1 23 . 1 1 41 41 ARG N N 41 117.890 117.890 127.758 -9.868 19286 6860 1 23 . 1 1 41 41 ARG CB C 41 34.110 34.110 32.796 1.314 19286 6861 1 23 . 1 1 41 41 ARG H H 41 7.340 7.340 8.581 -1.241 19286 6862 1 23 . 1 1 42 42 MET N N 42 123.460 123.460 125.107 -1.647 19286 6863 1 23 . 1 1 42 42 MET HA H 42 4.040 4.040 3.601 0.439 19286 6864 1 23 . 1 1 42 42 MET H H 42 9.340 9.340 8.781 0.559 19286 6865 1 23 . 1 1 43 43 GLN N N 43 117.010 117.010 120.161 -3.151 19286 6866 1 23 . 1 1 43 43 GLN H H 43 8.940 8.940 8.322 0.618 19286 6867 1 23 . 1 1 44 44 GLU N N 44 117.430 117.430 119.049 -1.619 19286 6868 1 23 . 1 1 44 44 GLU CB C 44 26.690 26.690 29.053 -2.363 19286 6869 1 23 . 1 1 44 44 GLU H H 44 7.160 7.160 8.578 -1.418 19286 6870 1 23 . 1 1 45 45 ALA N N 45 121.060 121.060 122.144 -1.084 19286 6871 1 23 . 1 1 45 45 ALA HA H 45 3.680 3.680 3.962 -0.282 19286 6872 1 23 . 1 1 45 45 ALA CA C 45 55.940 55.940 55.113 0.827 19286 6873 1 23 . 1 1 45 45 ALA CB C 45 20.940 20.940 18.597 2.343 19286 6874 1 23 . 1 1 45 45 ALA H H 45 8.220 8.220 7.901 0.319 19286 6875 1 23 . 1 1 46 46 LEU N N 46 116.750 116.750 118.702 -1.952 19286 6876 1 23 . 1 1 46 46 LEU H H 46 8.350 8.350 7.945 0.405 19286 6877 1 23 . 1 1 47 47 ASP N N 47 117.760 117.760 117.540 0.220 19286 6878 1 23 . 1 1 47 47 ASP H H 47 7.400 7.400 8.091 -0.691 19286 6879 1 23 . 1 1 48 48 ILE N N 48 118.660 118.660 114.654 4.006 19286 6880 1 23 . 1 1 48 48 ILE H H 48 8.220 8.220 7.635 0.585 19286 6881 1 23 . 1 1 49 49 ALA N N 49 123.150 123.150 123.945 -0.795 19286 6882 1 23 . 1 1 49 49 ALA HA H 49 4.040 4.040 4.101 -0.061 19286 6883 1 23 . 1 1 49 49 ALA CA C 49 55.940 55.940 54.272 1.668 19286 6884 1 23 . 1 1 49 49 ALA CB C 49 18.120 18.120 19.302 -1.182 19286 6885 1 23 . 1 1 49 49 ALA H H 49 8.610 8.610 7.547 1.063 19286 6886 1 23 . 1 1 50 50 ARG N N 50 113.110 113.110 119.627 -6.517 19286 6887 1 23 . 1 1 50 50 ARG CB C 50 26.570 26.570 29.759 -3.189 19286 6888 1 23 . 1 1 50 50 ARG H H 50 7.440 7.440 7.826 -0.386 19286 6889 1 23 . 1 1 51 51 LYS N N 51 114.910 114.910 118.946 -4.036 19286 6890 1 23 . 1 1 51 51 LYS H H 51 7.550 7.550 7.621 -0.071 19286 6891 1 23 . 1 1 52 52 GLY N N 52 108.150 108.150 107.471 0.679 19286 6892 1 23 . 1 1 52 52 GLY H H 52 8.920 8.920 8.286 0.634 19286 6893 1 23 . 1 1 53 53 GLN N N 53 120.450 120.450 123.986 -3.536 19286 6894 1 23 . 1 1 53 53 GLN H H 53 8.320 8.320 8.439 -0.119 19286 6895 1 23 . 1 1 54 54 PHE N N 54 119.090 119.090 113.745 5.345 19286 6896 1 23 . 1 1 54 54 PHE H H 54 7.180 7.180 7.489 -0.309 19286 6897 1 23 . 1 1 55 55 ASP N N 55 117.290 117.290 120.650 -3.360 19286 6898 1 23 . 1 1 55 55 ASP H H 55 9.330 9.330 8.175 1.155 19286 6899 1 23 . 1 1 56 56 ILE N N 56 109.550 109.550 117.335 -7.785 19286 6900 1 23 . 1 1 56 56 ILE HA H 56 5.220 5.220 4.408 0.812 19286 6901 1 23 . 1 1 56 56 ILE CA C 56 59.690 59.690 60.675 -0.985 19286 6902 1 23 . 1 1 56 56 ILE H H 56 7.690 7.690 8.173 -0.483 19286 6903 1 23 . 1 1 57 57 ALA N N 57 122.390 122.390 126.618 -4.228 19286 6904 1 23 . 1 1 57 57 ALA HA H 57 5.480 5.480 5.442 0.038 19286 6905 1 23 . 1 1 57 57 ALA CA C 57 50.940 50.940 51.131 -0.191 19286 6906 1 23 . 1 1 57 57 ALA H H 57 8.000 8.000 8.334 -0.334 19286 6907 1 23 . 1 1 59 59 ILE N N 59 122.950 122.950 128.419 -5.469 19286 6908 1 23 . 1 1 59 59 ILE HA H 59 4.990 4.990 4.430 0.560 19286 6909 1 23 . 1 1 59 59 ILE CA C 59 57.190 57.190 58.715 -1.525 19286 6910 1 23 . 1 1 59 59 ILE H H 59 8.930 8.930 7.230 1.700 19286 6911 1 23 . 1 1 60 60 ASP N N 60 127.320 127.320 122.337 4.983 19286 6912 1 23 . 1 1 60 60 ASP HA H 60 5.100 5.100 4.639 0.461 19286 6913 1 23 . 1 1 60 60 ASP CA C 60 55.100 55.100 54.991 0.109 19286 6914 1 23 . 1 1 60 60 ASP H H 60 8.360 8.360 7.527 0.833 19286 6915 1 23 . 1 1 61 61 VAL N N 61 121.040 121.040 119.074 1.966 19286 6916 1 23 . 1 1 61 61 VAL HA H 61 3.700 3.700 3.763 -0.063 19286 6917 1 23 . 1 1 61 61 VAL CA C 61 64.630 64.630 63.723 0.907 19286 6918 1 23 . 1 1 61 61 VAL CB C 61 31.590 31.590 31.334 0.256 19286 6919 1 23 . 1 1 61 61 VAL H H 61 8.540 8.540 8.358 0.182 19286 6920 1 23 . 1 1 63 63 LEU N N 63 121.830 121.830 115.456 6.374 19286 6921 1 23 . 1 1 63 63 LEU HA H 63 4.400 4.400 4.764 -0.364 19286 6922 1 23 . 1 1 63 63 LEU CA C 63 52.810 52.810 54.286 -1.476 19286 6923 1 23 . 1 1 63 63 LEU H H 63 8.960 8.960 7.590 1.370 19286 6924 1 23 . 1 1 64 64 ASP N N 64 128.450 128.450 119.274 9.176 19286 6925 1 23 . 1 1 64 64 ASP HA H 64 4.290 4.290 4.367 -0.077 19286 6926 1 23 . 1 1 64 64 ASP CA C 64 55.940 55.940 56.032 -0.092 19286 6927 1 23 . 1 1 64 64 ASP CB C 64 40.390 40.390 40.292 0.098 19286 6928 1 23 . 1 1 64 64 ASP H H 64 9.840 9.840 9.226 0.614 19286 6929 1 23 . 1 1 65 65 GLY N N 65 133.580 133.580 104.170 29.410 19286 6930 1 23 . 1 1 65 65 GLY H H 65 8.400 8.400 7.785 0.615 19286 6931 1 23 . 1 1 66 66 GLU N N 66 121.110 121.110 120.483 0.627 19286 6932 1 23 . 1 1 66 66 GLU HA H 66 4.920 4.920 3.955 0.965 19286 6933 1 23 . 1 1 66 66 GLU CA C 66 53.100 53.100 56.234 -3.134 19286 6934 1 23 . 1 1 66 66 GLU H H 66 7.790 7.790 8.141 -0.351 19286 6935 1 23 . 1 1 69 69 TYR N N 69 120.020 120.020 118.047 1.973 19286 6936 1 23 . 1 1 69 69 TYR HA H 69 4.410 4.410 4.150 0.260 19286 6937 1 23 . 1 1 69 69 TYR CA C 69 60.970 60.970 57.328 3.642 19286 6938 1 23 . 1 1 69 69 TYR H H 69 6.480 6.480 7.574 -1.094 19286 6939 1 23 . 1 1 71 71 VAL N N 71 115.000 115.000 118.542 -3.542 19286 6940 1 23 . 1 1 71 71 VAL H H 71 7.640 7.640 7.588 0.052 19286 6941 1 23 . 1 1 72 72 ALA N N 72 122.000 122.000 123.220 -1.220 19286 6942 1 23 . 1 1 72 72 ALA CB C 72 20.110 20.110 18.428 1.682 19286 6943 1 23 . 1 1 72 72 ALA H H 72 6.890 6.890 7.508 -0.618 19286 6944 1 23 . 1 1 73 73 ASP N N 73 116.020 116.020 118.872 -2.852 19286 6945 1 23 . 1 1 73 73 ASP H H 73 8.610 8.610 7.579 1.031 19286 6946 1 23 . 1 1 74 74 ILE N N 74 120.950 120.950 118.994 1.956 19286 6947 1 23 . 1 1 74 74 ILE H H 74 7.060 7.060 7.347 -0.287 19286 6948 1 23 . 1 1 75 75 LEU N N 75 119.760 119.760 121.321 -1.561 19286 6949 1 23 . 1 1 75 75 LEU H H 75 7.460 7.460 7.803 -0.343 19286 6950 1 23 . 1 1 76 76 ALA N N 76 121.160 121.160 119.115 2.045 19286 6951 1 23 . 1 1 76 76 ALA H H 76 8.910 8.910 7.741 1.169 19286 6952 1 23 . 1 1 77 77 GLU N N 77 120.340 120.340 118.462 1.878 19286 6953 1 23 . 1 1 77 77 GLU H H 77 7.800 7.800 8.296 -0.496 19286 6954 1 23 . 1 1 78 78 ARG N N 78 116.210 116.210 116.022 0.188 19286 6955 1 23 . 1 1 78 78 ARG H H 78 7.740 7.740 7.471 0.269 19286 6956 1 23 . 1 1 79 79 ASN N N 79 116.230 116.230 118.162 -1.932 19286 6957 1 23 . 1 1 79 79 ASN H H 79 8.030 8.030 8.234 -0.204 19286 6958 1 23 . 1 1 80 80 VAL N N 80 121.200 121.200 119.286 1.914 19286 6959 1 23 . 1 1 80 80 VAL H H 80 8.200 8.200 7.662 0.538 19286 6960 1 23 . 1 1 82 82 PHE N N 82 113.440 113.440 118.808 -5.368 19286 6961 1 23 . 1 1 82 82 PHE HA H 82 5.690 5.690 5.106 0.584 19286 6962 1 23 . 1 1 82 82 PHE CA C 82 55.480 55.480 55.436 0.044 19286 6963 1 23 . 1 1 82 82 PHE CB C 82 43.610 43.610 40.512 3.098 19286 6964 1 23 . 1 1 82 82 PHE H H 82 7.310 7.310 7.551 -0.241 19286 6965 1 23 . 1 1 83 83 ILE N N 83 115.230 115.230 118.732 -3.502 19286 6966 1 23 . 1 1 83 83 ILE HA H 83 4.260 4.260 3.853 0.407 19286 6967 1 23 . 1 1 83 83 ILE CA C 83 59.690 59.690 61.250 -1.560 19286 6968 1 23 . 1 1 83 83 ILE H H 83 7.880 7.880 7.644 0.236 19286 6969 1 23 . 1 1 84 84 PHE N N 84 122.680 122.680 124.050 -1.370 19286 6970 1 23 . 1 1 84 84 PHE HA H 84 6.190 6.190 4.792 1.398 19286 6971 1 23 . 1 1 84 84 PHE CA C 84 55.470 55.470 57.128 -1.658 19286 6972 1 23 . 1 1 84 84 PHE H H 84 8.360 8.360 8.435 -0.075 19286 6973 1 23 . 1 1 85 85 ALA N N 85 123.760 123.760 124.620 -0.860 19286 6974 1 23 . 1 1 85 85 ALA HA H 85 5.540 5.540 5.270 0.270 19286 6975 1 23 . 1 1 85 85 ALA CA C 85 50.940 50.940 52.381 -1.441 19286 6976 1 23 . 1 1 85 85 ALA H H 85 8.570 8.570 8.319 0.251 19286 6977 1 23 . 1 1 86 86 THR N N 86 114.260 114.260 117.678 -3.418 19286 6978 1 23 . 1 1 86 86 THR HA H 86 4.290 4.290 4.717 -0.427 19286 6979 1 23 . 1 1 86 86 THR CA C 86 56.720 56.720 61.215 -4.495 19286 6980 1 23 . 1 1 86 86 THR CB C 86 69.610 69.610 69.917 -0.307 19286 6981 1 23 . 1 1 86 86 THR H H 86 8.640 8.640 8.850 -0.210 19286 6982 1 23 . 1 1 87 87 GLY N N 87 112.830 112.830 110.990 1.840 19286 6983 1 23 . 1 1 87 87 GLY H H 87 8.590 8.590 8.759 -0.169 19286 6984 1 23 . 1 1 89 89 GLY N N 89 111.750 111.750 109.862 1.888 19286 6985 1 23 . 1 1 89 89 GLY H H 89 8.300 8.300 7.676 0.624 19286 6986 1 23 . 1 1 90 90 SER CA C 90 57.970 57.970 57.745 0.225 19286 6987 1 23 . 1 1 90 90 SER H H 90 4.990 4.990 6.306 -1.316 19286 6988 1 23 . 1 1 91 91 LYS N N 91 122.950 122.950 119.738 3.212 19286 6989 1 23 . 1 1 91 91 LYS H H 91 8.180 8.180 7.901 0.279 19286 6990 1 23 . 1 1 92 92 GLY N N 92 109.390 109.390 106.170 3.220 19286 6991 1 23 . 1 1 92 92 GLY H H 92 8.320 8.320 7.762 0.558 19286 6992 1 23 . 1 1 93 93 LEU N N 93 121.760 121.760 122.207 -0.447 19286 6993 1 23 . 1 1 93 93 LEU CB C 93 42.970 42.970 42.984 -0.014 19286 6994 1 23 . 1 1 93 93 LEU H H 93 7.910 7.910 7.727 0.183 19286 6995 1 23 . 1 1 94 94 ASP N N 94 122.710 122.710 121.924 0.786 19286 6996 1 23 . 1 1 94 94 ASP H H 94 7.650 7.650 8.269 -0.619 19286 6997 1 23 . 1 1 95 95 THR N N 95 117.650 117.650 112.777 4.873 19286 6998 1 23 . 1 1 95 95 THR H H 95 8.210 8.210 7.975 0.235 19286 6999 1 23 . 1 1 96 96 ARG N N 96 122.360 122.360 121.529 0.831 19286 7000 1 23 . 1 1 96 96 ARG H H 96 8.700 8.700 8.878 -0.178 19286 7001 1 23 . 1 1 97 97 TYR N N 97 117.080 117.080 117.060 0.020 19286 7002 1 23 . 1 1 97 97 TYR CB C 97 39.220 39.220 38.279 0.941 19286 7003 1 23 . 1 1 97 97 TYR H H 97 8.000 8.000 7.783 0.217 19286 7004 1 23 . 1 1 98 98 SER N N 98 114.730 114.730 113.536 1.194 19286 7005 1 23 . 1 1 98 98 SER H H 98 7.580 7.580 7.839 -0.259 19286 7006 1 23 . 1 1 99 99 ASN N N 99 117.230 117.230 112.415 4.815 19286 7007 1 23 . 1 1 99 99 ASN H H 99 8.600 8.600 8.563 0.037 19286 7008 1 23 . 1 1 100 100 ILE N N 100 124.250 124.250 111.562 12.688 19286 7009 1 23 . 1 1 100 100 ILE H H 100 7.520 7.520 7.488 0.032 19286 7010 1 23 . 1 1 102 102 LEU N N 102 121.060 121.060 115.249 5.811 19286 7011 1 23 . 1 1 102 102 LEU H H 102 7.870 7.870 7.588 0.282 19286 7012 1 23 . 1 1 103 103 LEU N N 103 126.970 126.970 114.384 12.586 19286 7013 1 23 . 1 1 103 103 LEU HA H 103 4.620 4.620 4.689 -0.069 19286 7014 1 23 . 1 1 103 103 LEU CA C 103 54.690 54.690 55.423 -0.733 19286 7015 1 23 . 1 1 103 103 LEU H H 103 9.080 9.080 7.986 1.094 19286 7016 1 23 . 1 1 104 104 THR N N 104 118.430 118.430 113.853 4.577 19286 7017 1 23 . 1 1 104 104 THR HA H 104 4.760 4.760 4.638 0.122 19286 7018 1 23 . 1 1 104 104 THR CA C 104 63.440 63.440 61.287 2.153 19286 7019 1 23 . 1 1 104 104 THR H H 104 8.430 8.430 8.216 0.214 19286 7020 1 23 . 1 1 105 105 LYS N N 105 122.030 122.030 119.322 2.708 19286 7021 1 23 . 1 1 105 105 LYS HA H 105 4.290 4.290 3.773 0.517 19286 7022 1 23 . 1 1 105 105 LYS CA C 105 54.690 54.690 56.445 -1.755 19286 7023 1 23 . 1 1 105 105 LYS H H 105 8.170 8.170 8.034 0.136 19286 7024 1 23 . 1 1 107 107 PHE N N 107 118.490 118.490 114.998 3.492 19286 7025 1 23 . 1 1 107 107 PHE H H 107 7.470 7.470 7.591 -0.121 19286 7026 1 23 . 1 1 109 109 ASP N N 109 124.810 124.810 112.897 11.913 19286 7027 1 23 . 1 1 109 109 ASP HA H 109 4.710 4.710 4.568 0.142 19286 7028 1 23 . 1 1 109 109 ASP H H 109 9.130 9.130 8.296 0.834 19286 7029 1 23 . 1 1 110 110 SER HA H 110 4.270 4.270 4.323 -0.053 19286 7030 1 23 . 1 1 110 110 SER CA C 110 59.690 59.690 59.798 -0.108 19286 7031 1 23 . 1 1 111 111 GLU N N 111 123.780 123.780 121.126 2.654 19286 7032 1 23 . 1 1 111 111 GLU HA H 111 4.060 4.060 3.925 0.135 19286 7033 1 23 . 1 1 111 111 GLU CA C 111 58.440 58.440 59.782 -1.342 19286 7034 1 23 . 1 1 111 111 GLU H H 111 7.410 7.410 8.370 -0.960 19286 7035 1 23 . 1 1 112 112 LEU N N 112 120.180 120.180 117.807 2.373 19286 7036 1 23 . 1 1 112 112 LEU HA H 112 3.900 3.900 3.867 0.033 19286 7037 1 23 . 1 1 112 112 LEU CA C 112 58.440 58.440 57.756 0.684 19286 7038 1 23 . 1 1 112 112 LEU H H 112 7.670 7.670 8.089 -0.419 19286 7039 1 23 . 1 1 113 113 GLU N N 113 118.380 118.380 118.803 -0.423 19286 7040 1 23 . 1 1 113 113 GLU HA H 113 3.730 3.730 3.903 -0.173 19286 7041 1 23 . 1 1 113 113 GLU CA C 113 60.940 60.940 59.481 1.459 19286 7042 1 23 . 1 1 113 113 GLU H H 113 8.530 8.530 8.209 0.321 19286 7043 1 23 . 1 1 114 114 ALA N N 114 117.790 117.790 120.023 -2.233 19286 7044 1 23 . 1 1 114 114 ALA HA H 114 4.140 4.140 4.253 -0.113 19286 7045 1 23 . 1 1 114 114 ALA CA C 114 55.540 55.540 55.124 0.416 19286 7046 1 23 . 1 1 114 114 ALA CB C 114 18.440 18.440 18.660 -0.220 19286 7047 1 23 . 1 1 114 114 ALA H H 114 7.480 7.480 7.754 -0.274 19286 7048 1 23 . 1 1 115 115 VAL N N 115 116.000 116.000 110.554 5.446 19286 7049 1 23 . 1 1 115 115 VAL HA H 115 4.030 4.030 4.407 -0.377 19286 7050 1 23 . 1 1 115 115 VAL CA C 115 65.940 65.940 63.351 2.589 19286 7051 1 23 . 1 1 115 115 VAL H H 115 7.540 7.540 7.443 0.097 19286 7052 1 23 . 1 1 116 116 LEU HA H 116 4.280 4.280 4.488 -0.208 19286 7053 1 23 . 1 1 116 116 LEU CA C 116 57.570 57.570 56.048 1.522 19286 7054 1 23 . 1 1 117 117 VAL N N 117 119.140 119.140 115.735 3.405 19286 7055 1 23 . 1 1 117 117 VAL H H 117 8.200 8.200 8.419 -0.219 19286 7056 1 23 . 1 1 120 120 SER N N 120 115.730 115.730 113.347 2.383 19286 7057 1 23 . 1 1 120 120 SER H H 120 7.780 7.780 7.671 0.109 19286 7058 1 23 . 1 1 121 121 LYS N N 121 120.870 120.870 120.068 0.802 19286 7059 1 23 . 1 1 121 121 LYS H H 121 7.540 7.540 8.720 -1.180 19286 7060 1 23 . 1 1 122 122 GLU N N 122 120.160 120.160 115.394 4.766 19286 7061 1 23 . 1 1 122 122 GLU H H 122 8.140 8.140 8.089 0.051 19286 7062 1 24 . 1 1 4 4 MET N N 4 121.520 121.520 121.587 -0.067 19286 7063 1 24 . 1 1 4 4 MET H H 4 8.450 8.450 8.318 0.132 19286 7064 1 24 . 1 1 5 5 THR N N 5 115.270 115.270 111.310 3.960 19286 7065 1 24 . 1 1 5 5 THR H H 5 8.090 8.090 7.693 0.397 19286 7066 1 24 . 1 1 6 6 GLU N N 6 123.580 123.580 119.785 3.795 19286 7067 1 24 . 1 1 6 6 GLU H H 6 8.430 8.430 8.698 -0.268 19286 7068 1 24 . 1 1 7 7 ARG N N 7 120.850 120.850 121.758 -0.908 19286 7069 1 24 . 1 1 7 7 ARG H H 7 8.030 8.030 8.227 -0.197 19286 7070 1 24 . 1 1 8 8 ARG N N 8 125.410 125.410 120.838 4.572 19286 7071 1 24 . 1 1 8 8 ARG HA H 8 4.370 4.370 3.996 0.374 19286 7072 1 24 . 1 1 8 8 ARG H H 8 8.310 8.310 8.451 -0.141 19286 7073 1 24 . 1 1 9 9 LEU N N 9 130.330 130.330 118.373 11.957 19286 7074 1 24 . 1 1 9 9 LEU HA H 9 4.610 4.610 4.237 0.373 19286 7075 1 24 . 1 1 9 9 LEU H H 9 11.100 11.100 7.656 3.444 19286 7076 1 24 . 1 1 10 10 ARG N N 10 121.420 121.420 124.890 -3.470 19286 7077 1 24 . 1 1 10 10 ARG HA H 10 5.010 5.010 4.480 0.530 19286 7078 1 24 . 1 1 10 10 ARG CA C 10 55.940 55.940 54.628 1.312 19286 7079 1 24 . 1 1 10 10 ARG H H 10 9.620 9.620 9.999 -0.379 19286 7080 1 24 . 1 1 11 11 VAL N N 11 125.110 125.110 119.163 5.947 19286 7081 1 24 . 1 1 11 11 VAL HA H 11 4.970 4.970 4.981 -0.011 19286 7082 1 24 . 1 1 11 11 VAL H H 11 9.210 9.210 8.368 0.842 19286 7083 1 24 . 1 1 12 12 LEU N N 12 130.050 130.050 128.901 1.149 19286 7084 1 24 . 1 1 12 12 LEU HA H 12 4.780 4.780 4.775 0.005 19286 7085 1 24 . 1 1 12 12 LEU H H 12 8.260 8.260 9.384 -1.124 19286 7086 1 24 . 1 1 13 13 VAL N N 13 128.060 128.060 121.270 6.790 19286 7087 1 24 . 1 1 13 13 VAL HA H 13 4.610 4.610 4.559 0.051 19286 7088 1 24 . 1 1 13 13 VAL H H 13 8.330 8.330 7.900 0.430 19286 7089 1 24 . 1 1 14 14 VAL N N 14 128.470 128.470 119.318 9.152 19286 7090 1 24 . 1 1 14 14 VAL HA H 14 4.700 4.700 4.685 0.015 19286 7091 1 24 . 1 1 14 14 VAL H H 14 8.840 8.840 8.966 -0.126 19286 7092 1 24 . 1 1 15 15 GLU N N 15 124.840 124.840 122.976 1.864 19286 7093 1 24 . 1 1 15 15 GLU HA H 15 4.620 4.620 4.770 -0.150 19286 7094 1 24 . 1 1 15 15 GLU H H 15 7.950 7.950 8.374 -0.424 19286 7095 1 24 . 1 1 16 16 ASP N N 16 125.840 125.840 122.145 3.695 19286 7096 1 24 . 1 1 16 16 ASP HA H 16 4.540 4.540 4.200 0.340 19286 7097 1 24 . 1 1 16 16 ASP H H 16 9.360 9.360 8.934 0.426 19286 7098 1 24 . 1 1 17 17 GLU HA H 17 4.290 4.290 4.431 -0.141 19286 7099 1 24 . 1 1 17 17 GLU CA C 17 55.540 55.540 55.984 -0.445 19286 7100 1 24 . 1 1 18 18 SER N N 18 124.990 124.990 117.834 7.156 19286 7101 1 24 . 1 1 18 18 SER HA H 18 4.610 4.610 4.350 0.260 19286 7102 1 24 . 1 1 18 18 SER H H 18 8.820 8.820 8.876 -0.056 19286 7103 1 24 . 1 1 19 19 MET N N 19 119.940 119.940 122.287 -2.347 19286 7104 1 24 . 1 1 19 19 MET H H 19 9.030 9.030 8.364 0.666 19286 7105 1 24 . 1 1 20 20 ILE N N 20 118.700 118.700 117.051 1.649 19286 7106 1 24 . 1 1 20 20 ILE H H 20 7.200 7.200 7.549 -0.349 19286 7107 1 24 . 1 1 21 21 ALA N N 21 123.500 123.500 124.216 -0.716 19286 7108 1 24 . 1 1 21 21 ALA CB C 21 18.860 18.860 19.324 -0.464 19286 7109 1 24 . 1 1 21 21 ALA H H 21 8.370 8.370 8.064 0.306 19286 7110 1 24 . 1 1 22 22 MET N N 22 115.790 115.790 119.574 -3.784 19286 7111 1 24 . 1 1 22 22 MET HA H 22 4.160 4.160 4.188 -0.028 19286 7112 1 24 . 1 1 22 22 MET CA C 22 58.440 58.440 58.624 -0.185 19286 7113 1 24 . 1 1 22 22 MET H H 22 8.090 8.090 7.951 0.139 19286 7114 1 24 . 1 1 23 23 LEU N N 23 120.400 120.400 116.620 3.780 19286 7115 1 24 . 1 1 23 23 LEU H H 23 7.490 7.490 7.745 -0.255 19286 7116 1 24 . 1 1 24 24 ILE N N 24 120.840 120.840 121.578 -0.738 19286 7117 1 24 . 1 1 24 24 ILE HA H 24 3.520 3.520 4.165 -0.645 19286 7118 1 24 . 1 1 24 24 ILE CA C 24 67.190 67.190 63.677 3.513 19286 7119 1 24 . 1 1 24 24 ILE CB C 24 38.440 38.440 39.051 -0.611 19286 7120 1 24 . 1 1 24 24 ILE H H 24 8.630 8.630 8.693 -0.063 19286 7121 1 24 . 1 1 25 25 GLU N N 25 119.380 119.380 119.491 -0.111 19286 7122 1 24 . 1 1 25 25 GLU H H 25 8.550 8.550 7.772 0.778 19286 7123 1 24 . 1 1 26 26 ASP N N 26 119.700 119.700 117.344 2.356 19286 7124 1 24 . 1 1 26 26 ASP H H 26 8.890 8.890 7.819 1.071 19286 7125 1 24 . 1 1 27 27 THR N N 27 117.460 117.460 115.463 1.997 19286 7126 1 24 . 1 1 27 27 THR HA H 27 4.270 4.270 4.030 0.240 19286 7127 1 24 . 1 1 27 27 THR CA C 27 68.890 68.890 64.964 3.926 19286 7128 1 24 . 1 1 27 27 THR H H 27 8.100 8.100 7.179 0.921 19286 7129 1 24 . 1 1 28 28 LEU N N 28 120.440 120.440 123.033 -2.593 19286 7130 1 24 . 1 1 28 28 LEU HA H 28 3.920 3.920 4.149 -0.229 19286 7131 1 24 . 1 1 28 28 LEU CA C 28 58.440 58.440 57.790 0.650 19286 7132 1 24 . 1 1 28 28 LEU H H 28 8.610 8.610 8.201 0.408 19286 7133 1 24 . 1 1 29 29 CYS N N 29 116.920 116.920 116.775 0.145 19286 7134 1 24 . 1 1 29 29 CYS H H 29 8.180 8.180 7.741 0.439 19286 7135 1 24 . 1 1 30 30 GLU N N 30 122.820 122.820 119.410 3.410 19286 7136 1 24 . 1 1 30 30 GLU HA H 30 4.160 4.160 4.209 -0.049 19286 7137 1 24 . 1 1 30 30 GLU CA C 30 59.690 59.690 58.301 1.389 19286 7138 1 24 . 1 1 30 30 GLU H H 30 8.060 8.060 7.873 0.187 19286 7139 1 24 . 1 1 31 31 LEU N N 31 116.980 116.980 116.965 0.015 19286 7140 1 24 . 1 1 31 31 LEU H H 31 7.660 7.660 7.694 -0.034 19286 7141 1 24 . 1 1 32 32 GLY N N 32 105.410 105.410 106.813 -1.403 19286 7142 1 24 . 1 1 32 32 GLY H H 32 7.600 7.600 8.008 -0.408 19286 7143 1 24 . 1 1 33 33 HIS N N 33 119.380 119.380 117.585 1.795 19286 7144 1 24 . 1 1 33 33 HIS HA H 33 5.130 5.130 4.450 0.680 19286 7145 1 24 . 1 1 33 33 HIS CA C 33 56.350 56.350 57.117 -0.767 19286 7146 1 24 . 1 1 33 33 HIS CB C 33 33.470 33.470 30.614 2.856 19286 7147 1 24 . 1 1 33 33 HIS H H 33 7.780 7.780 7.686 0.094 19286 7148 1 24 . 1 1 34 34 GLU N N 34 117.930 117.930 120.230 -2.300 19286 7149 1 24 . 1 1 34 34 GLU H H 34 8.870 8.870 8.160 0.710 19286 7150 1 24 . 1 1 35 35 VAL N N 35 125.860 125.860 114.288 11.572 19286 7151 1 24 . 1 1 35 35 VAL HA H 35 4.710 4.710 4.340 0.370 19286 7152 1 24 . 1 1 35 35 VAL H H 35 8.870 8.870 7.914 0.956 19286 7153 1 24 . 1 1 36 36 ALA N N 36 132.950 132.950 128.833 4.117 19286 7154 1 24 . 1 1 36 36 ALA HA H 36 4.200 4.200 4.931 -0.731 19286 7155 1 24 . 1 1 36 36 ALA CB C 36 23.860 23.860 20.972 2.888 19286 7156 1 24 . 1 1 36 36 ALA H H 36 9.110 9.110 8.273 0.837 19286 7157 1 24 . 1 1 37 37 ALA N N 37 115.420 115.420 121.869 -6.449 19286 7158 1 24 . 1 1 37 37 ALA H H 37 7.480 7.480 8.050 -0.570 19286 7159 1 24 . 1 1 38 38 THR N N 38 112.980 112.980 112.577 0.403 19286 7160 1 24 . 1 1 38 38 THR H H 38 8.170 8.170 8.318 -0.148 19286 7161 1 24 . 1 1 39 39 ALA CB C 39 22.610 22.610 18.701 3.909 19286 7162 1 24 . 1 1 40 40 SER N N 40 113.630 113.630 116.123 -2.493 19286 7163 1 24 . 1 1 40 40 SER HA H 40 4.450 4.450 4.389 0.061 19286 7164 1 24 . 1 1 40 40 SER CA C 40 57.480 57.480 58.454 -0.974 19286 7165 1 24 . 1 1 40 40 SER H H 40 8.980 8.980 8.302 0.678 19286 7166 1 24 . 1 1 41 41 ARG N N 41 117.890 117.890 127.702 -9.812 19286 7167 1 24 . 1 1 41 41 ARG CB C 41 34.110 34.110 31.996 2.114 19286 7168 1 24 . 1 1 41 41 ARG H H 41 7.340 7.340 7.948 -0.608 19286 7169 1 24 . 1 1 42 42 MET N N 42 123.460 123.460 125.726 -2.266 19286 7170 1 24 . 1 1 42 42 MET HA H 42 4.040 4.040 3.638 0.402 19286 7171 1 24 . 1 1 42 42 MET H H 42 9.340 9.340 8.913 0.427 19286 7172 1 24 . 1 1 43 43 GLN N N 43 117.010 117.010 118.929 -1.919 19286 7173 1 24 . 1 1 43 43 GLN H H 43 8.940 8.940 8.238 0.702 19286 7174 1 24 . 1 1 44 44 GLU N N 44 117.430 117.430 118.989 -1.559 19286 7175 1 24 . 1 1 44 44 GLU CB C 44 26.690 26.690 29.455 -2.765 19286 7176 1 24 . 1 1 44 44 GLU H H 44 7.160 7.160 8.112 -0.952 19286 7177 1 24 . 1 1 45 45 ALA N N 45 121.060 121.060 122.841 -1.781 19286 7178 1 24 . 1 1 45 45 ALA HA H 45 3.680 3.680 3.981 -0.301 19286 7179 1 24 . 1 1 45 45 ALA CA C 45 55.940 55.940 55.365 0.575 19286 7180 1 24 . 1 1 45 45 ALA CB C 45 20.940 20.940 18.520 2.420 19286 7181 1 24 . 1 1 45 45 ALA H H 45 8.220 8.220 8.355 -0.135 19286 7182 1 24 . 1 1 46 46 LEU N N 46 116.750 116.750 119.038 -2.288 19286 7183 1 24 . 1 1 46 46 LEU H H 46 8.350 8.350 8.213 0.137 19286 7184 1 24 . 1 1 47 47 ASP N N 47 117.760 117.760 117.721 0.039 19286 7185 1 24 . 1 1 47 47 ASP H H 47 7.400 7.400 7.861 -0.461 19286 7186 1 24 . 1 1 48 48 ILE N N 48 118.660 118.660 114.206 4.454 19286 7187 1 24 . 1 1 48 48 ILE H H 48 8.220 8.220 7.703 0.517 19286 7188 1 24 . 1 1 49 49 ALA N N 49 123.150 123.150 123.512 -0.362 19286 7189 1 24 . 1 1 49 49 ALA HA H 49 4.040 4.040 4.131 -0.091 19286 7190 1 24 . 1 1 49 49 ALA CA C 49 55.940 55.940 53.617 2.323 19286 7191 1 24 . 1 1 49 49 ALA CB C 49 18.120 18.120 18.857 -0.737 19286 7192 1 24 . 1 1 49 49 ALA H H 49 8.610 8.610 7.766 0.844 19286 7193 1 24 . 1 1 50 50 ARG N N 50 113.110 113.110 118.953 -5.843 19286 7194 1 24 . 1 1 50 50 ARG CB C 50 26.570 26.570 30.077 -3.507 19286 7195 1 24 . 1 1 50 50 ARG H H 50 7.440 7.440 7.930 -0.490 19286 7196 1 24 . 1 1 51 51 LYS N N 51 114.910 114.910 119.373 -4.463 19286 7197 1 24 . 1 1 51 51 LYS H H 51 7.550 7.550 7.564 -0.014 19286 7198 1 24 . 1 1 52 52 GLY N N 52 108.150 108.150 109.117 -0.967 19286 7199 1 24 . 1 1 52 52 GLY H H 52 8.920 8.920 8.224 0.696 19286 7200 1 24 . 1 1 53 53 GLN N N 53 120.450 120.450 118.657 1.793 19286 7201 1 24 . 1 1 53 53 GLN H H 53 8.320 8.320 8.341 -0.021 19286 7202 1 24 . 1 1 54 54 PHE N N 54 119.090 119.090 117.718 1.372 19286 7203 1 24 . 1 1 54 54 PHE H H 54 7.180 7.180 8.688 -1.508 19286 7204 1 24 . 1 1 55 55 ASP N N 55 117.290 117.290 115.214 2.076 19286 7205 1 24 . 1 1 55 55 ASP H H 55 9.330 9.330 8.031 1.299 19286 7206 1 24 . 1 1 56 56 ILE N N 56 109.550 109.550 122.918 -13.368 19286 7207 1 24 . 1 1 56 56 ILE HA H 56 5.220 5.220 4.387 0.833 19286 7208 1 24 . 1 1 56 56 ILE CA C 56 59.690 59.690 60.435 -0.745 19286 7209 1 24 . 1 1 56 56 ILE H H 56 7.690 7.690 8.147 -0.457 19286 7210 1 24 . 1 1 57 57 ALA N N 57 122.390 122.390 128.719 -6.329 19286 7211 1 24 . 1 1 57 57 ALA HA H 57 5.480 5.480 5.579 -0.099 19286 7212 1 24 . 1 1 57 57 ALA CA C 57 50.940 50.940 50.618 0.322 19286 7213 1 24 . 1 1 57 57 ALA H H 57 8.000 8.000 8.448 -0.448 19286 7214 1 24 . 1 1 59 59 ILE N N 59 122.950 122.950 129.367 -6.417 19286 7215 1 24 . 1 1 59 59 ILE HA H 59 4.990 4.990 4.580 0.410 19286 7216 1 24 . 1 1 59 59 ILE CA C 59 57.190 57.190 59.647 -2.457 19286 7217 1 24 . 1 1 59 59 ILE H H 59 8.930 8.930 7.590 1.340 19286 7218 1 24 . 1 1 60 60 ASP N N 60 127.320 127.320 122.936 4.384 19286 7219 1 24 . 1 1 60 60 ASP HA H 60 5.100 5.100 4.422 0.678 19286 7220 1 24 . 1 1 60 60 ASP CA C 60 55.100 55.100 53.589 1.511 19286 7221 1 24 . 1 1 60 60 ASP H H 60 8.360 8.360 7.483 0.877 19286 7222 1 24 . 1 1 61 61 VAL N N 61 121.040 121.040 118.135 2.905 19286 7223 1 24 . 1 1 61 61 VAL HA H 61 3.700 3.700 3.810 -0.110 19286 7224 1 24 . 1 1 61 61 VAL CA C 61 64.630 64.630 62.620 2.010 19286 7225 1 24 . 1 1 61 61 VAL CB C 61 31.590 31.590 31.588 0.002 19286 7226 1 24 . 1 1 61 61 VAL H H 61 8.540 8.540 8.289 0.251 19286 7227 1 24 . 1 1 63 63 LEU N N 63 121.830 121.830 112.327 9.503 19286 7228 1 24 . 1 1 63 63 LEU HA H 63 4.400 4.400 5.001 -0.601 19286 7229 1 24 . 1 1 63 63 LEU CA C 63 52.810 52.810 53.805 -0.995 19286 7230 1 24 . 1 1 63 63 LEU H H 63 8.960 8.960 7.294 1.666 19286 7231 1 24 . 1 1 64 64 ASP N N 64 128.450 128.450 118.369 10.081 19286 7232 1 24 . 1 1 64 64 ASP HA H 64 4.290 4.290 4.358 -0.068 19286 7233 1 24 . 1 1 64 64 ASP CA C 64 55.940 55.940 55.363 0.577 19286 7234 1 24 . 1 1 64 64 ASP CB C 64 40.390 40.390 39.570 0.820 19286 7235 1 24 . 1 1 64 64 ASP H H 64 9.840 9.840 9.055 0.785 19286 7236 1 24 . 1 1 65 65 GLY N N 65 133.580 133.580 102.698 30.882 19286 7237 1 24 . 1 1 65 65 GLY H H 65 8.400 8.400 7.807 0.593 19286 7238 1 24 . 1 1 66 66 GLU N N 66 121.110 121.110 120.412 0.698 19286 7239 1 24 . 1 1 66 66 GLU HA H 66 4.920 4.920 4.072 0.848 19286 7240 1 24 . 1 1 66 66 GLU CA C 66 53.100 53.100 56.459 -3.359 19286 7241 1 24 . 1 1 66 66 GLU H H 66 7.790 7.790 7.810 -0.020 19286 7242 1 24 . 1 1 69 69 TYR N N 69 120.020 120.020 116.985 3.035 19286 7243 1 24 . 1 1 69 69 TYR HA H 69 4.410 4.410 4.156 0.254 19286 7244 1 24 . 1 1 69 69 TYR CA C 69 60.970 60.970 57.066 3.904 19286 7245 1 24 . 1 1 69 69 TYR H H 69 6.480 6.480 7.936 -1.456 19286 7246 1 24 . 1 1 71 71 VAL N N 71 115.000 115.000 121.187 -6.187 19286 7247 1 24 . 1 1 71 71 VAL H H 71 7.640 7.640 7.529 0.111 19286 7248 1 24 . 1 1 72 72 ALA N N 72 122.000 122.000 122.654 -0.654 19286 7249 1 24 . 1 1 72 72 ALA CB C 72 20.110 20.110 17.918 2.192 19286 7250 1 24 . 1 1 72 72 ALA H H 72 6.890 6.890 7.662 -0.772 19286 7251 1 24 . 1 1 73 73 ASP N N 73 116.020 116.020 118.153 -2.133 19286 7252 1 24 . 1 1 73 73 ASP H H 73 8.610 8.610 7.569 1.041 19286 7253 1 24 . 1 1 74 74 ILE N N 74 120.950 120.950 120.600 0.350 19286 7254 1 24 . 1 1 74 74 ILE H H 74 7.060 7.060 7.355 -0.295 19286 7255 1 24 . 1 1 75 75 LEU N N 75 119.760 119.760 119.266 0.494 19286 7256 1 24 . 1 1 75 75 LEU H H 75 7.460 7.460 8.551 -1.091 19286 7257 1 24 . 1 1 76 76 ALA N N 76 121.160 121.160 121.529 -0.369 19286 7258 1 24 . 1 1 76 76 ALA H H 76 8.910 8.910 8.029 0.881 19286 7259 1 24 . 1 1 77 77 GLU N N 77 120.340 120.340 120.222 0.118 19286 7260 1 24 . 1 1 77 77 GLU H H 77 7.800 7.800 8.167 -0.367 19286 7261 1 24 . 1 1 78 78 ARG N N 78 116.210 116.210 117.661 -1.451 19286 7262 1 24 . 1 1 78 78 ARG H H 78 7.740 7.740 7.559 0.181 19286 7263 1 24 . 1 1 79 79 ASN N N 79 116.230 116.230 119.367 -3.137 19286 7264 1 24 . 1 1 79 79 ASN H H 79 8.030 8.030 7.961 0.069 19286 7265 1 24 . 1 1 80 80 VAL N N 80 121.200 121.200 114.593 6.607 19286 7266 1 24 . 1 1 80 80 VAL H H 80 8.200 8.200 7.655 0.545 19286 7267 1 24 . 1 1 82 82 PHE N N 82 113.440 113.440 120.622 -7.182 19286 7268 1 24 . 1 1 82 82 PHE HA H 82 5.690 5.690 4.979 0.711 19286 7269 1 24 . 1 1 82 82 PHE CA C 82 55.480 55.480 56.544 -1.064 19286 7270 1 24 . 1 1 82 82 PHE CB C 82 43.610 43.610 40.739 2.871 19286 7271 1 24 . 1 1 82 82 PHE H H 82 7.310 7.310 8.838 -1.528 19286 7272 1 24 . 1 1 83 83 ILE N N 83 115.230 115.230 118.528 -3.298 19286 7273 1 24 . 1 1 83 83 ILE HA H 83 4.260 4.260 3.644 0.616 19286 7274 1 24 . 1 1 83 83 ILE CA C 83 59.690 59.690 60.962 -1.272 19286 7275 1 24 . 1 1 83 83 ILE H H 83 7.880 7.880 7.653 0.227 19286 7276 1 24 . 1 1 84 84 PHE N N 84 122.680 122.680 122.977 -0.297 19286 7277 1 24 . 1 1 84 84 PHE HA H 84 6.190 6.190 4.968 1.222 19286 7278 1 24 . 1 1 84 84 PHE CA C 84 55.470 55.470 57.065 -1.595 19286 7279 1 24 . 1 1 84 84 PHE H H 84 8.360 8.360 7.918 0.442 19286 7280 1 24 . 1 1 85 85 ALA N N 85 123.760 123.760 125.370 -1.610 19286 7281 1 24 . 1 1 85 85 ALA HA H 85 5.540 5.540 5.092 0.448 19286 7282 1 24 . 1 1 85 85 ALA CA C 85 50.940 50.940 52.000 -1.060 19286 7283 1 24 . 1 1 85 85 ALA H H 85 8.570 8.570 8.057 0.513 19286 7284 1 24 . 1 1 86 86 THR N N 86 114.260 114.260 115.984 -1.724 19286 7285 1 24 . 1 1 86 86 THR HA H 86 4.290 4.290 4.527 -0.237 19286 7286 1 24 . 1 1 86 86 THR CA C 86 56.720 56.720 59.570 -2.850 19286 7287 1 24 . 1 1 86 86 THR CB C 86 69.610 69.610 71.886 -2.276 19286 7288 1 24 . 1 1 86 86 THR H H 86 8.640 8.640 7.597 1.043 19286 7289 1 24 . 1 1 87 87 GLY N N 87 112.830 112.830 108.660 4.170 19286 7290 1 24 . 1 1 87 87 GLY H H 87 8.590 8.590 8.577 0.013 19286 7291 1 24 . 1 1 89 89 GLY N N 89 111.750 111.750 104.848 6.902 19286 7292 1 24 . 1 1 89 89 GLY H H 89 8.300 8.300 7.494 0.806 19286 7293 1 24 . 1 1 90 90 SER CA C 90 57.970 57.970 56.741 1.229 19286 7294 1 24 . 1 1 90 90 SER H H 90 4.990 4.990 6.856 -1.866 19286 7295 1 24 . 1 1 91 91 LYS N N 91 122.950 122.950 117.189 5.761 19286 7296 1 24 . 1 1 91 91 LYS H H 91 8.180 8.180 8.507 -0.327 19286 7297 1 24 . 1 1 92 92 GLY N N 92 109.390 109.390 108.995 0.395 19286 7298 1 24 . 1 1 92 92 GLY H H 92 8.320 8.320 8.200 0.120 19286 7299 1 24 . 1 1 93 93 LEU N N 93 121.760 121.760 119.470 2.290 19286 7300 1 24 . 1 1 93 93 LEU CB C 93 42.970 42.970 41.746 1.224 19286 7301 1 24 . 1 1 93 93 LEU H H 93 7.910 7.910 7.621 0.289 19286 7302 1 24 . 1 1 94 94 ASP N N 94 122.710 122.710 120.834 1.876 19286 7303 1 24 . 1 1 94 94 ASP H H 94 7.650 7.650 8.260 -0.610 19286 7304 1 24 . 1 1 95 95 THR N N 95 117.650 117.650 112.363 5.287 19286 7305 1 24 . 1 1 95 95 THR H H 95 8.210 8.210 8.122 0.088 19286 7306 1 24 . 1 1 96 96 ARG N N 96 122.360 122.360 121.316 1.044 19286 7307 1 24 . 1 1 96 96 ARG H H 96 8.700 8.700 8.692 0.008 19286 7308 1 24 . 1 1 97 97 TYR N N 97 117.080 117.080 117.456 -0.376 19286 7309 1 24 . 1 1 97 97 TYR CB C 97 39.220 39.220 38.189 1.031 19286 7310 1 24 . 1 1 97 97 TYR H H 97 8.000 8.000 7.403 0.597 19286 7311 1 24 . 1 1 98 98 SER N N 98 114.730 114.730 113.053 1.677 19286 7312 1 24 . 1 1 98 98 SER H H 98 7.580 7.580 7.665 -0.085 19286 7313 1 24 . 1 1 99 99 ASN N N 99 117.230 117.230 114.388 2.842 19286 7314 1 24 . 1 1 99 99 ASN H H 99 8.600 8.600 8.539 0.061 19286 7315 1 24 . 1 1 100 100 ILE N N 100 124.250 124.250 112.729 11.521 19286 7316 1 24 . 1 1 100 100 ILE H H 100 7.520 7.520 7.333 0.187 19286 7317 1 24 . 1 1 102 102 LEU N N 102 121.060 121.060 118.819 2.241 19286 7318 1 24 . 1 1 102 102 LEU H H 102 7.870 7.870 7.547 0.323 19286 7319 1 24 . 1 1 103 103 LEU N N 103 126.970 126.970 115.383 11.587 19286 7320 1 24 . 1 1 103 103 LEU HA H 103 4.620 4.620 4.692 -0.072 19286 7321 1 24 . 1 1 103 103 LEU CA C 103 54.690 54.690 54.688 0.002 19286 7322 1 24 . 1 1 103 103 LEU H H 103 9.080 9.080 7.979 1.101 19286 7323 1 24 . 1 1 104 104 THR N N 104 118.430 118.430 117.233 1.197 19286 7324 1 24 . 1 1 104 104 THR HA H 104 4.760 4.760 4.515 0.245 19286 7325 1 24 . 1 1 104 104 THR CA C 104 63.440 63.440 63.046 0.394 19286 7326 1 24 . 1 1 104 104 THR H H 104 8.430 8.430 8.496 -0.066 19286 7327 1 24 . 1 1 105 105 LYS N N 105 122.030 122.030 117.183 4.847 19286 7328 1 24 . 1 1 105 105 LYS HA H 105 4.290 4.290 4.764 -0.474 19286 7329 1 24 . 1 1 105 105 LYS CA C 105 54.690 54.690 56.138 -1.448 19286 7330 1 24 . 1 1 105 105 LYS H H 105 8.170 8.170 8.112 0.058 19286 7331 1 24 . 1 1 107 107 PHE N N 107 118.490 118.490 116.762 1.728 19286 7332 1 24 . 1 1 107 107 PHE H H 107 7.470 7.470 8.207 -0.737 19286 7333 1 24 . 1 1 109 109 ASP N N 109 124.810 124.810 116.913 7.897 19286 7334 1 24 . 1 1 109 109 ASP HA H 109 4.710 4.710 4.655 0.055 19286 7335 1 24 . 1 1 109 109 ASP H H 109 9.130 9.130 8.103 1.027 19286 7336 1 24 . 1 1 110 110 SER HA H 110 4.270 4.270 4.093 0.177 19286 7337 1 24 . 1 1 110 110 SER CA C 110 59.690 59.690 61.132 -1.442 19286 7338 1 24 . 1 1 111 111 GLU N N 111 123.780 123.780 120.124 3.656 19286 7339 1 24 . 1 1 111 111 GLU HA H 111 4.060 4.060 3.987 0.073 19286 7340 1 24 . 1 1 111 111 GLU CA C 111 58.440 58.440 59.464 -1.024 19286 7341 1 24 . 1 1 111 111 GLU H H 111 7.410 7.410 8.480 -1.070 19286 7342 1 24 . 1 1 112 112 LEU N N 112 120.180 120.180 117.744 2.436 19286 7343 1 24 . 1 1 112 112 LEU HA H 112 3.900 3.900 3.880 0.020 19286 7344 1 24 . 1 1 112 112 LEU CA C 112 58.440 58.440 57.490 0.950 19286 7345 1 24 . 1 1 112 112 LEU H H 112 7.670 7.670 7.852 -0.182 19286 7346 1 24 . 1 1 113 113 GLU N N 113 118.380 118.380 118.890 -0.510 19286 7347 1 24 . 1 1 113 113 GLU HA H 113 3.730 3.730 3.723 0.007 19286 7348 1 24 . 1 1 113 113 GLU CA C 113 60.940 60.940 59.560 1.380 19286 7349 1 24 . 1 1 113 113 GLU H H 113 8.530 8.530 8.418 0.112 19286 7350 1 24 . 1 1 114 114 ALA N N 114 117.790 117.790 120.722 -2.932 19286 7351 1 24 . 1 1 114 114 ALA HA H 114 4.140 4.140 3.850 0.290 19286 7352 1 24 . 1 1 114 114 ALA CA C 114 55.540 55.540 55.140 0.400 19286 7353 1 24 . 1 1 114 114 ALA CB C 114 18.440 18.440 18.742 -0.302 19286 7354 1 24 . 1 1 114 114 ALA H H 114 7.480 7.480 7.591 -0.111 19286 7355 1 24 . 1 1 115 115 VAL N N 115 116.000 116.000 114.685 1.315 19286 7356 1 24 . 1 1 115 115 VAL HA H 115 4.030 4.030 4.201 -0.171 19286 7357 1 24 . 1 1 115 115 VAL CA C 115 65.940 65.940 63.571 2.369 19286 7358 1 24 . 1 1 115 115 VAL H H 115 7.540 7.540 7.876 -0.336 19286 7359 1 24 . 1 1 116 116 LEU HA H 116 4.280 4.280 4.351 -0.071 19286 7360 1 24 . 1 1 116 116 LEU CA C 116 57.570 57.570 56.498 1.072 19286 7361 1 24 . 1 1 117 117 VAL N N 117 119.140 119.140 114.125 5.015 19286 7362 1 24 . 1 1 117 117 VAL H H 117 8.200 8.200 8.357 -0.157 19286 7363 1 24 . 1 1 120 120 SER N N 120 115.730 115.730 118.183 -2.453 19286 7364 1 24 . 1 1 120 120 SER H H 120 7.780 7.780 7.677 0.103 19286 7365 1 24 . 1 1 121 121 LYS N N 121 120.870 120.870 118.049 2.821 19286 7366 1 24 . 1 1 121 121 LYS H H 121 7.540 7.540 8.803 -1.263 19286 7367 1 24 . 1 1 122 122 GLU N N 122 120.160 120.160 120.758 -0.598 19286 7368 1 24 . 1 1 122 122 GLU H H 122 8.140 8.140 7.861 0.279 19286 7369 1 25 . 1 1 4 4 MET N N 4 121.520 121.520 124.022 -2.502 19286 7370 1 25 . 1 1 4 4 MET H H 4 8.450 8.450 8.890 -0.440 19286 7371 1 25 . 1 1 5 5 THR N N 5 115.270 115.270 113.837 1.433 19286 7372 1 25 . 1 1 5 5 THR H H 5 8.090 8.090 7.877 0.213 19286 7373 1 25 . 1 1 6 6 GLU N N 6 123.580 123.580 118.658 4.922 19286 7374 1 25 . 1 1 6 6 GLU H H 6 8.430 8.430 8.827 -0.397 19286 7375 1 25 . 1 1 7 7 ARG N N 7 120.850 120.850 117.093 3.757 19286 7376 1 25 . 1 1 7 7 ARG H H 7 8.030 8.030 7.904 0.126 19286 7377 1 25 . 1 1 8 8 ARG N N 8 125.410 125.410 119.258 6.152 19286 7378 1 25 . 1 1 8 8 ARG HA H 8 4.370 4.370 4.519 -0.149 19286 7379 1 25 . 1 1 8 8 ARG H H 8 8.310 8.310 8.429 -0.119 19286 7380 1 25 . 1 1 9 9 LEU N N 9 130.330 130.330 122.342 7.988 19286 7381 1 25 . 1 1 9 9 LEU HA H 9 4.610 4.610 4.257 0.353 19286 7382 1 25 . 1 1 9 9 LEU H H 9 11.100 11.100 8.114 2.986 19286 7383 1 25 . 1 1 10 10 ARG N N 10 121.420 121.420 122.902 -1.482 19286 7384 1 25 . 1 1 10 10 ARG HA H 10 5.010 5.010 4.476 0.534 19286 7385 1 25 . 1 1 10 10 ARG CA C 10 55.940 55.940 54.432 1.508 19286 7386 1 25 . 1 1 10 10 ARG H H 10 9.620 9.620 8.346 1.274 19286 7387 1 25 . 1 1 11 11 VAL N N 11 125.110 125.110 118.304 6.806 19286 7388 1 25 . 1 1 11 11 VAL HA H 11 4.970 4.970 4.735 0.235 19286 7389 1 25 . 1 1 11 11 VAL H H 11 9.210 9.210 8.280 0.930 19286 7390 1 25 . 1 1 12 12 LEU N N 12 130.050 130.050 129.713 0.337 19286 7391 1 25 . 1 1 12 12 LEU HA H 12 4.780 4.780 4.711 0.069 19286 7392 1 25 . 1 1 12 12 LEU H H 12 8.260 8.260 8.804 -0.544 19286 7393 1 25 . 1 1 13 13 VAL N N 13 128.060 128.060 125.159 2.901 19286 7394 1 25 . 1 1 13 13 VAL HA H 13 4.610 4.610 4.301 0.309 19286 7395 1 25 . 1 1 13 13 VAL H H 13 8.330 8.330 8.092 0.238 19286 7396 1 25 . 1 1 14 14 VAL N N 14 128.470 128.470 119.644 8.826 19286 7397 1 25 . 1 1 14 14 VAL HA H 14 4.700 4.700 4.691 0.009 19286 7398 1 25 . 1 1 14 14 VAL H H 14 8.840 8.840 8.981 -0.141 19286 7399 1 25 . 1 1 15 15 GLU N N 15 124.840 124.840 123.685 1.155 19286 7400 1 25 . 1 1 15 15 GLU HA H 15 4.620 4.620 4.723 -0.103 19286 7401 1 25 . 1 1 15 15 GLU H H 15 7.950 7.950 8.259 -0.309 19286 7402 1 25 . 1 1 16 16 ASP N N 16 125.840 125.840 120.777 5.063 19286 7403 1 25 . 1 1 16 16 ASP HA H 16 4.540 4.540 4.310 0.230 19286 7404 1 25 . 1 1 16 16 ASP H H 16 9.360 9.360 8.792 0.568 19286 7405 1 25 . 1 1 17 17 GLU HA H 17 4.290 4.290 4.394 -0.104 19286 7406 1 25 . 1 1 17 17 GLU CA C 17 55.540 55.540 55.889 -0.348 19286 7407 1 25 . 1 1 18 18 SER N N 18 124.990 124.990 115.523 9.467 19286 7408 1 25 . 1 1 18 18 SER HA H 18 4.610 4.610 4.421 0.189 19286 7409 1 25 . 1 1 18 18 SER H H 18 8.820 8.820 8.823 -0.003 19286 7410 1 25 . 1 1 19 19 MET N N 19 119.940 119.940 122.624 -2.684 19286 7411 1 25 . 1 1 19 19 MET H H 19 9.030 9.030 8.306 0.724 19286 7412 1 25 . 1 1 20 20 ILE N N 20 118.700 118.700 117.554 1.146 19286 7413 1 25 . 1 1 20 20 ILE H H 20 7.200 7.200 7.528 -0.328 19286 7414 1 25 . 1 1 21 21 ALA N N 21 123.500 123.500 124.420 -0.920 19286 7415 1 25 . 1 1 21 21 ALA CB C 21 18.860 18.860 18.728 0.132 19286 7416 1 25 . 1 1 21 21 ALA H H 21 8.370 8.370 8.164 0.206 19286 7417 1 25 . 1 1 22 22 MET N N 22 115.790 115.790 119.177 -3.387 19286 7418 1 25 . 1 1 22 22 MET HA H 22 4.160 4.160 4.261 -0.101 19286 7419 1 25 . 1 1 22 22 MET CA C 22 58.440 58.440 58.449 -0.009 19286 7420 1 25 . 1 1 22 22 MET H H 22 8.090 8.090 7.720 0.370 19286 7421 1 25 . 1 1 23 23 LEU N N 23 120.400 120.400 119.117 1.283 19286 7422 1 25 . 1 1 23 23 LEU H H 23 7.490 7.490 7.697 -0.207 19286 7423 1 25 . 1 1 24 24 ILE N N 24 120.840 120.840 120.404 0.436 19286 7424 1 25 . 1 1 24 24 ILE HA H 24 3.520 3.520 4.270 -0.750 19286 7425 1 25 . 1 1 24 24 ILE CA C 24 67.190 67.190 62.993 4.197 19286 7426 1 25 . 1 1 24 24 ILE CB C 24 38.440 38.440 39.591 -1.151 19286 7427 1 25 . 1 1 24 24 ILE H H 24 8.630 8.630 8.302 0.328 19286 7428 1 25 . 1 1 25 25 GLU N N 25 119.380 119.380 120.645 -1.265 19286 7429 1 25 . 1 1 25 25 GLU H H 25 8.550 8.550 7.892 0.658 19286 7430 1 25 . 1 1 26 26 ASP N N 26 119.700 119.700 116.261 3.439 19286 7431 1 25 . 1 1 26 26 ASP H H 26 8.890 8.890 7.786 1.104 19286 7432 1 25 . 1 1 27 27 THR N N 27 117.460 117.460 114.097 3.363 19286 7433 1 25 . 1 1 27 27 THR HA H 27 4.270 4.270 4.028 0.242 19286 7434 1 25 . 1 1 27 27 THR CA C 27 68.890 68.890 64.922 3.968 19286 7435 1 25 . 1 1 27 27 THR H H 27 8.100 8.100 7.324 0.776 19286 7436 1 25 . 1 1 28 28 LEU N N 28 120.440 120.440 121.814 -1.374 19286 7437 1 25 . 1 1 28 28 LEU HA H 28 3.920 3.920 4.323 -0.403 19286 7438 1 25 . 1 1 28 28 LEU CA C 28 58.440 58.440 57.715 0.725 19286 7439 1 25 . 1 1 28 28 LEU H H 28 8.610 8.610 8.773 -0.163 19286 7440 1 25 . 1 1 29 29 CYS N N 29 116.920 116.920 119.085 -2.165 19286 7441 1 25 . 1 1 29 29 CYS H H 29 8.180 8.180 7.801 0.379 19286 7442 1 25 . 1 1 30 30 GLU N N 30 122.820 122.820 119.741 3.079 19286 7443 1 25 . 1 1 30 30 GLU HA H 30 4.160 4.160 4.243 -0.083 19286 7444 1 25 . 1 1 30 30 GLU CA C 30 59.690 59.690 58.294 1.396 19286 7445 1 25 . 1 1 30 30 GLU H H 30 8.060 8.060 7.644 0.416 19286 7446 1 25 . 1 1 31 31 LEU N N 31 116.980 116.980 117.943 -0.963 19286 7447 1 25 . 1 1 31 31 LEU H H 31 7.660 7.660 7.595 0.065 19286 7448 1 25 . 1 1 32 32 GLY N N 32 105.410 105.410 104.933 0.477 19286 7449 1 25 . 1 1 32 32 GLY H H 32 7.600 7.600 8.284 -0.684 19286 7450 1 25 . 1 1 33 33 HIS N N 33 119.380 119.380 118.053 1.327 19286 7451 1 25 . 1 1 33 33 HIS HA H 33 5.130 5.130 4.254 0.876 19286 7452 1 25 . 1 1 33 33 HIS CA C 33 56.350 56.350 58.176 -1.826 19286 7453 1 25 . 1 1 33 33 HIS CB C 33 33.470 33.470 30.091 3.379 19286 7454 1 25 . 1 1 33 33 HIS H H 33 7.780 7.780 7.726 0.054 19286 7455 1 25 . 1 1 34 34 GLU N N 34 117.930 117.930 119.787 -1.857 19286 7456 1 25 . 1 1 34 34 GLU H H 34 8.870 8.870 8.414 0.456 19286 7457 1 25 . 1 1 35 35 VAL N N 35 125.860 125.860 114.492 11.368 19286 7458 1 25 . 1 1 35 35 VAL HA H 35 4.710 4.710 4.344 0.366 19286 7459 1 25 . 1 1 35 35 VAL H H 35 8.870 8.870 7.844 1.026 19286 7460 1 25 . 1 1 36 36 ALA N N 36 132.950 132.950 130.387 2.563 19286 7461 1 25 . 1 1 36 36 ALA HA H 36 4.200 4.200 4.318 -0.118 19286 7462 1 25 . 1 1 36 36 ALA CB C 36 23.860 23.860 19.719 4.141 19286 7463 1 25 . 1 1 36 36 ALA H H 36 9.110 9.110 8.228 0.882 19286 7464 1 25 . 1 1 37 37 ALA N N 37 115.420 115.420 120.438 -5.018 19286 7465 1 25 . 1 1 37 37 ALA H H 37 7.480 7.480 8.006 -0.526 19286 7466 1 25 . 1 1 38 38 THR N N 38 112.980 112.980 114.036 -1.056 19286 7467 1 25 . 1 1 38 38 THR H H 38 8.170 8.170 7.987 0.183 19286 7468 1 25 . 1 1 39 39 ALA CB C 39 22.610 22.610 18.752 3.858 19286 7469 1 25 . 1 1 40 40 SER N N 40 113.630 113.630 115.701 -2.071 19286 7470 1 25 . 1 1 40 40 SER HA H 40 4.450 4.450 4.421 0.029 19286 7471 1 25 . 1 1 40 40 SER CA C 40 57.480 57.480 58.797 -1.317 19286 7472 1 25 . 1 1 40 40 SER H H 40 8.980 8.980 8.678 0.302 19286 7473 1 25 . 1 1 41 41 ARG N N 41 117.890 117.890 127.606 -9.716 19286 7474 1 25 . 1 1 41 41 ARG CB C 41 34.110 34.110 32.437 1.673 19286 7475 1 25 . 1 1 41 41 ARG H H 41 7.340 7.340 8.708 -1.368 19286 7476 1 25 . 1 1 42 42 MET N N 42 123.460 123.460 124.825 -1.365 19286 7477 1 25 . 1 1 42 42 MET HA H 42 4.040 4.040 3.653 0.387 19286 7478 1 25 . 1 1 42 42 MET H H 42 9.340 9.340 8.902 0.438 19286 7479 1 25 . 1 1 43 43 GLN N N 43 117.010 117.010 118.756 -1.746 19286 7480 1 25 . 1 1 43 43 GLN H H 43 8.940 8.940 8.532 0.408 19286 7481 1 25 . 1 1 44 44 GLU N N 44 117.430 117.430 118.433 -1.003 19286 7482 1 25 . 1 1 44 44 GLU CB C 44 26.690 26.690 29.126 -2.436 19286 7483 1 25 . 1 1 44 44 GLU H H 44 7.160 7.160 8.278 -1.118 19286 7484 1 25 . 1 1 45 45 ALA N N 45 121.060 121.060 122.968 -1.908 19286 7485 1 25 . 1 1 45 45 ALA HA H 45 3.680 3.680 3.896 -0.216 19286 7486 1 25 . 1 1 45 45 ALA CA C 45 55.940 55.940 55.073 0.867 19286 7487 1 25 . 1 1 45 45 ALA CB C 45 20.940 20.940 18.187 2.753 19286 7488 1 25 . 1 1 45 45 ALA H H 45 8.220 8.220 8.696 -0.476 19286 7489 1 25 . 1 1 46 46 LEU N N 46 116.750 116.750 118.689 -1.939 19286 7490 1 25 . 1 1 46 46 LEU H H 46 8.350 8.350 7.793 0.557 19286 7491 1 25 . 1 1 47 47 ASP N N 47 117.760 117.760 118.498 -0.738 19286 7492 1 25 . 1 1 47 47 ASP H H 47 7.400 7.400 8.080 -0.680 19286 7493 1 25 . 1 1 48 48 ILE N N 48 118.660 118.660 114.040 4.620 19286 7494 1 25 . 1 1 48 48 ILE H H 48 8.220 8.220 7.857 0.363 19286 7495 1 25 . 1 1 49 49 ALA N N 49 123.150 123.150 122.916 0.234 19286 7496 1 25 . 1 1 49 49 ALA HA H 49 4.040 4.040 4.135 -0.095 19286 7497 1 25 . 1 1 49 49 ALA CA C 49 55.940 55.940 54.047 1.893 19286 7498 1 25 . 1 1 49 49 ALA CB C 49 18.120 18.120 19.614 -1.494 19286 7499 1 25 . 1 1 49 49 ALA H H 49 8.610 8.610 7.390 1.220 19286 7500 1 25 . 1 1 50 50 ARG N N 50 113.110 113.110 118.420 -5.310 19286 7501 1 25 . 1 1 50 50 ARG CB C 50 26.570 26.570 29.305 -2.735 19286 7502 1 25 . 1 1 50 50 ARG H H 50 7.440 7.440 8.061 -0.621 19286 7503 1 25 . 1 1 51 51 LYS N N 51 114.910 114.910 119.425 -4.515 19286 7504 1 25 . 1 1 51 51 LYS H H 51 7.550 7.550 7.740 -0.190 19286 7505 1 25 . 1 1 52 52 GLY N N 52 108.150 108.150 107.854 0.296 19286 7506 1 25 . 1 1 52 52 GLY H H 52 8.920 8.920 8.414 0.506 19286 7507 1 25 . 1 1 53 53 GLN N N 53 120.450 120.450 115.610 4.840 19286 7508 1 25 . 1 1 53 53 GLN H H 53 8.320 8.320 8.102 0.218 19286 7509 1 25 . 1 1 54 54 PHE N N 54 119.090 119.090 116.152 2.938 19286 7510 1 25 . 1 1 54 54 PHE H H 54 7.180 7.180 7.544 -0.364 19286 7511 1 25 . 1 1 55 55 ASP N N 55 117.290 117.290 119.721 -2.431 19286 7512 1 25 . 1 1 55 55 ASP H H 55 9.330 9.330 8.302 1.028 19286 7513 1 25 . 1 1 56 56 ILE N N 56 109.550 109.550 116.972 -7.422 19286 7514 1 25 . 1 1 56 56 ILE HA H 56 5.220 5.220 4.298 0.922 19286 7515 1 25 . 1 1 56 56 ILE CA C 56 59.690 59.690 60.716 -1.026 19286 7516 1 25 . 1 1 56 56 ILE H H 56 7.690 7.690 7.912 -0.222 19286 7517 1 25 . 1 1 57 57 ALA N N 57 122.390 122.390 127.225 -4.835 19286 7518 1 25 . 1 1 57 57 ALA HA H 57 5.480 5.480 5.403 0.077 19286 7519 1 25 . 1 1 57 57 ALA CA C 57 50.940 50.940 50.811 0.129 19286 7520 1 25 . 1 1 57 57 ALA H H 57 8.000 8.000 8.318 -0.318 19286 7521 1 25 . 1 1 59 59 ILE N N 59 122.950 122.950 128.932 -5.982 19286 7522 1 25 . 1 1 59 59 ILE HA H 59 4.990 4.990 4.352 0.638 19286 7523 1 25 . 1 1 59 59 ILE CA C 59 57.190 57.190 60.247 -3.057 19286 7524 1 25 . 1 1 59 59 ILE H H 59 8.930 8.930 7.605 1.325 19286 7525 1 25 . 1 1 60 60 ASP N N 60 127.320 127.320 124.174 3.146 19286 7526 1 25 . 1 1 60 60 ASP HA H 60 5.100 5.100 4.747 0.353 19286 7527 1 25 . 1 1 60 60 ASP CA C 60 55.100 55.100 54.353 0.747 19286 7528 1 25 . 1 1 60 60 ASP H H 60 8.360 8.360 7.620 0.740 19286 7529 1 25 . 1 1 61 61 VAL N N 61 121.040 121.040 118.296 2.744 19286 7530 1 25 . 1 1 61 61 VAL HA H 61 3.700 3.700 3.762 -0.062 19286 7531 1 25 . 1 1 61 61 VAL CA C 61 64.630 64.630 63.471 1.159 19286 7532 1 25 . 1 1 61 61 VAL CB C 61 31.590 31.590 31.589 0.001 19286 7533 1 25 . 1 1 61 61 VAL H H 61 8.540 8.540 8.623 -0.083 19286 7534 1 25 . 1 1 63 63 LEU N N 63 121.830 121.830 121.378 0.452 19286 7535 1 25 . 1 1 63 63 LEU HA H 63 4.400 4.400 4.552 -0.152 19286 7536 1 25 . 1 1 63 63 LEU CA C 63 52.810 52.810 54.159 -1.349 19286 7537 1 25 . 1 1 63 63 LEU H H 63 8.960 8.960 7.555 1.405 19286 7538 1 25 . 1 1 64 64 ASP N N 64 128.450 128.450 120.917 7.533 19286 7539 1 25 . 1 1 64 64 ASP HA H 64 4.290 4.290 4.354 -0.064 19286 7540 1 25 . 1 1 64 64 ASP CA C 64 55.940 55.940 55.409 0.531 19286 7541 1 25 . 1 1 64 64 ASP CB C 64 40.390 40.390 39.853 0.537 19286 7542 1 25 . 1 1 64 64 ASP H H 64 9.840 9.840 8.972 0.868 19286 7543 1 25 . 1 1 65 65 GLY N N 65 133.580 133.580 102.703 30.877 19286 7544 1 25 . 1 1 65 65 GLY H H 65 8.400 8.400 8.085 0.315 19286 7545 1 25 . 1 1 66 66 GLU N N 66 121.110 121.110 119.457 1.653 19286 7546 1 25 . 1 1 66 66 GLU HA H 66 4.920 4.920 3.987 0.933 19286 7547 1 25 . 1 1 66 66 GLU CA C 66 53.100 53.100 56.228 -3.128 19286 7548 1 25 . 1 1 66 66 GLU H H 66 7.790 7.790 7.716 0.074 19286 7549 1 25 . 1 1 69 69 TYR N N 69 120.020 120.020 115.038 4.982 19286 7550 1 25 . 1 1 69 69 TYR HA H 69 4.410 4.410 4.256 0.154 19286 7551 1 25 . 1 1 69 69 TYR CA C 69 60.970 60.970 58.200 2.770 19286 7552 1 25 . 1 1 69 69 TYR H H 69 6.480 6.480 7.297 -0.817 19286 7553 1 25 . 1 1 71 71 VAL N N 71 115.000 115.000 121.229 -6.229 19286 7554 1 25 . 1 1 71 71 VAL H H 71 7.640 7.640 7.666 -0.026 19286 7555 1 25 . 1 1 72 72 ALA N N 72 122.000 122.000 122.720 -0.720 19286 7556 1 25 . 1 1 72 72 ALA CB C 72 20.110 20.110 18.231 1.879 19286 7557 1 25 . 1 1 72 72 ALA H H 72 6.890 6.890 8.126 -1.236 19286 7558 1 25 . 1 1 73 73 ASP N N 73 116.020 116.020 118.406 -2.386 19286 7559 1 25 . 1 1 73 73 ASP H H 73 8.610 8.610 7.765 0.845 19286 7560 1 25 . 1 1 74 74 ILE N N 74 120.950 120.950 121.115 -0.165 19286 7561 1 25 . 1 1 74 74 ILE H H 74 7.060 7.060 7.356 -0.296 19286 7562 1 25 . 1 1 75 75 LEU N N 75 119.760 119.760 119.798 -0.038 19286 7563 1 25 . 1 1 75 75 LEU H H 75 7.460 7.460 8.571 -1.111 19286 7564 1 25 . 1 1 76 76 ALA N N 76 121.160 121.160 119.418 1.742 19286 7565 1 25 . 1 1 76 76 ALA H H 76 8.910 8.910 8.284 0.626 19286 7566 1 25 . 1 1 77 77 GLU N N 77 120.340 120.340 119.433 0.907 19286 7567 1 25 . 1 1 77 77 GLU H H 77 7.800 7.800 8.174 -0.374 19286 7568 1 25 . 1 1 78 78 ARG N N 78 116.210 116.210 114.901 1.309 19286 7569 1 25 . 1 1 78 78 ARG H H 78 7.740 7.740 7.367 0.372 19286 7570 1 25 . 1 1 79 79 ASN N N 79 116.230 116.230 119.909 -3.679 19286 7571 1 25 . 1 1 79 79 ASN H H 79 8.030 8.030 7.627 0.403 19286 7572 1 25 . 1 1 80 80 VAL N N 80 121.200 121.200 121.925 -0.725 19286 7573 1 25 . 1 1 80 80 VAL H H 80 8.200 8.200 7.459 0.741 19286 7574 1 25 . 1 1 82 82 PHE N N 82 113.440 113.440 118.337 -4.897 19286 7575 1 25 . 1 1 82 82 PHE HA H 82 5.690 5.690 4.923 0.767 19286 7576 1 25 . 1 1 82 82 PHE CA C 82 55.480 55.480 55.466 0.014 19286 7577 1 25 . 1 1 82 82 PHE CB C 82 43.610 43.610 40.311 3.299 19286 7578 1 25 . 1 1 82 82 PHE H H 82 7.310 7.310 7.887 -0.577 19286 7579 1 25 . 1 1 83 83 ILE N N 83 115.230 115.230 118.343 -3.113 19286 7580 1 25 . 1 1 83 83 ILE HA H 83 4.260 4.260 3.635 0.625 19286 7581 1 25 . 1 1 83 83 ILE CA C 83 59.690 59.690 60.147 -0.457 19286 7582 1 25 . 1 1 83 83 ILE H H 83 7.880 7.880 7.612 0.268 19286 7583 1 25 . 1 1 84 84 PHE N N 84 122.680 122.680 122.446 0.234 19286 7584 1 25 . 1 1 84 84 PHE HA H 84 6.190 6.190 4.901 1.289 19286 7585 1 25 . 1 1 84 84 PHE CA C 84 55.470 55.470 57.186 -1.716 19286 7586 1 25 . 1 1 84 84 PHE H H 84 8.360 8.360 8.557 -0.197 19286 7587 1 25 . 1 1 85 85 ALA N N 85 123.760 123.760 122.915 0.845 19286 7588 1 25 . 1 1 85 85 ALA HA H 85 5.540 5.540 5.667 -0.127 19286 7589 1 25 . 1 1 85 85 ALA CA C 85 50.940 50.940 51.342 -0.402 19286 7590 1 25 . 1 1 85 85 ALA H H 85 8.570 8.570 8.014 0.556 19286 7591 1 25 . 1 1 86 86 THR N N 86 114.260 114.260 113.602 0.658 19286 7592 1 25 . 1 1 86 86 THR HA H 86 4.290 4.290 4.749 -0.459 19286 7593 1 25 . 1 1 86 86 THR CA C 86 56.720 56.720 61.291 -4.571 19286 7594 1 25 . 1 1 86 86 THR CB C 86 69.610 69.610 68.941 0.669 19286 7595 1 25 . 1 1 86 86 THR H H 86 8.640 8.640 8.288 0.352 19286 7596 1 25 . 1 1 87 87 GLY N N 87 112.830 112.830 110.265 2.565 19286 7597 1 25 . 1 1 87 87 GLY H H 87 8.590 8.590 8.546 0.044 19286 7598 1 25 . 1 1 89 89 GLY N N 89 111.750 111.750 109.002 2.748 19286 7599 1 25 . 1 1 89 89 GLY H H 89 8.300 8.300 8.008 0.292 19286 7600 1 25 . 1 1 90 90 SER CA C 90 57.970 57.970 56.969 1.001 19286 7601 1 25 . 1 1 90 90 SER H H 90 4.990 4.990 8.135 -3.145 19286 7602 1 25 . 1 1 91 91 LYS N N 91 122.950 122.950 121.299 1.651 19286 7603 1 25 . 1 1 91 91 LYS H H 91 8.180 8.180 8.448 -0.268 19286 7604 1 25 . 1 1 92 92 GLY N N 92 109.390 109.390 108.617 0.773 19286 7605 1 25 . 1 1 92 92 GLY H H 92 8.320 8.320 8.378 -0.058 19286 7606 1 25 . 1 1 93 93 LEU N N 93 121.760 121.760 117.251 4.509 19286 7607 1 25 . 1 1 93 93 LEU CB C 93 42.970 42.970 41.550 1.420 19286 7608 1 25 . 1 1 93 93 LEU H H 93 7.910 7.910 7.616 0.294 19286 7609 1 25 . 1 1 94 94 ASP N N 94 122.710 122.710 120.629 2.081 19286 7610 1 25 . 1 1 94 94 ASP H H 94 7.650 7.650 8.360 -0.710 19286 7611 1 25 . 1 1 95 95 THR N N 95 117.650 117.650 113.460 4.190 19286 7612 1 25 . 1 1 95 95 THR H H 95 8.210 8.210 8.105 0.105 19286 7613 1 25 . 1 1 96 96 ARG N N 96 122.360 122.360 120.043 2.317 19286 7614 1 25 . 1 1 96 96 ARG H H 96 8.700 8.700 8.924 -0.224 19286 7615 1 25 . 1 1 97 97 TYR N N 97 117.080 117.080 119.244 -2.164 19286 7616 1 25 . 1 1 97 97 TYR CB C 97 39.220 39.220 37.604 1.616 19286 7617 1 25 . 1 1 97 97 TYR H H 97 8.000 8.000 7.684 0.316 19286 7618 1 25 . 1 1 98 98 SER N N 98 114.730 114.730 113.855 0.875 19286 7619 1 25 . 1 1 98 98 SER H H 98 7.580 7.580 8.001 -0.421 19286 7620 1 25 . 1 1 99 99 ASN N N 99 117.230 117.230 113.658 3.572 19286 7621 1 25 . 1 1 99 99 ASN H H 99 8.600 8.600 8.424 0.176 19286 7622 1 25 . 1 1 100 100 ILE N N 100 124.250 124.250 111.239 13.011 19286 7623 1 25 . 1 1 100 100 ILE H H 100 7.520 7.520 7.636 -0.116 19286 7624 1 25 . 1 1 102 102 LEU N N 102 121.060 121.060 119.615 1.445 19286 7625 1 25 . 1 1 102 102 LEU H H 102 7.870 7.870 7.973 -0.103 19286 7626 1 25 . 1 1 103 103 LEU N N 103 126.970 126.970 114.319 12.651 19286 7627 1 25 . 1 1 103 103 LEU HA H 103 4.620 4.620 4.867 -0.247 19286 7628 1 25 . 1 1 103 103 LEU CA C 103 54.690 54.690 54.510 0.180 19286 7629 1 25 . 1 1 103 103 LEU H H 103 9.080 9.080 8.042 1.038 19286 7630 1 25 . 1 1 104 104 THR N N 104 118.430 118.430 114.325 4.105 19286 7631 1 25 . 1 1 104 104 THR HA H 104 4.760 4.760 4.570 0.190 19286 7632 1 25 . 1 1 104 104 THR CA C 104 63.440 63.440 60.537 2.903 19286 7633 1 25 . 1 1 104 104 THR H H 104 8.430 8.430 8.278 0.152 19286 7634 1 25 . 1 1 105 105 LYS N N 105 122.030 122.030 119.423 2.607 19286 7635 1 25 . 1 1 105 105 LYS HA H 105 4.290 4.290 4.434 -0.144 19286 7636 1 25 . 1 1 105 105 LYS CA C 105 54.690 54.690 57.447 -2.757 19286 7637 1 25 . 1 1 105 105 LYS H H 105 8.170 8.170 8.286 -0.116 19286 7638 1 25 . 1 1 107 107 PHE N N 107 118.490 118.490 112.405 6.085 19286 7639 1 25 . 1 1 107 107 PHE H H 107 7.470 7.470 8.693 -1.223 19286 7640 1 25 . 1 1 109 109 ASP N N 109 124.810 124.810 117.028 7.782 19286 7641 1 25 . 1 1 109 109 ASP HA H 109 4.710 4.710 4.909 -0.199 19286 7642 1 25 . 1 1 109 109 ASP H H 109 9.130 9.130 8.385 0.745 19286 7643 1 25 . 1 1 110 110 SER HA H 110 4.270 4.270 4.296 -0.026 19286 7644 1 25 . 1 1 110 110 SER CA C 110 59.690 59.690 61.125 -1.435 19286 7645 1 25 . 1 1 111 111 GLU N N 111 123.780 123.780 119.552 4.228 19286 7646 1 25 . 1 1 111 111 GLU HA H 111 4.060 4.060 3.947 0.113 19286 7647 1 25 . 1 1 111 111 GLU CA C 111 58.440 58.440 59.996 -1.556 19286 7648 1 25 . 1 1 111 111 GLU H H 111 7.410 7.410 8.628 -1.218 19286 7649 1 25 . 1 1 112 112 LEU N N 112 120.180 120.180 116.348 3.832 19286 7650 1 25 . 1 1 112 112 LEU HA H 112 3.900 3.900 3.811 0.089 19286 7651 1 25 . 1 1 112 112 LEU CA C 112 58.440 58.440 58.156 0.284 19286 7652 1 25 . 1 1 112 112 LEU H H 112 7.670 7.670 7.851 -0.181 19286 7653 1 25 . 1 1 113 113 GLU N N 113 118.380 118.380 120.267 -1.887 19286 7654 1 25 . 1 1 113 113 GLU HA H 113 3.730 3.730 3.800 -0.070 19286 7655 1 25 . 1 1 113 113 GLU CA C 113 60.940 60.940 59.840 1.100 19286 7656 1 25 . 1 1 113 113 GLU H H 113 8.530 8.530 8.028 0.502 19286 7657 1 25 . 1 1 114 114 ALA N N 114 117.790 117.790 120.342 -2.552 19286 7658 1 25 . 1 1 114 114 ALA HA H 114 4.140 4.140 4.152 -0.012 19286 7659 1 25 . 1 1 114 114 ALA CA C 114 55.540 55.540 54.788 0.752 19286 7660 1 25 . 1 1 114 114 ALA CB C 114 18.440 18.440 18.405 0.035 19286 7661 1 25 . 1 1 114 114 ALA H H 114 7.480 7.480 7.958 -0.478 19286 7662 1 25 . 1 1 115 115 VAL N N 115 116.000 116.000 116.135 -0.135 19286 7663 1 25 . 1 1 115 115 VAL HA H 115 4.030 4.030 4.063 -0.033 19286 7664 1 25 . 1 1 115 115 VAL CA C 115 65.940 65.940 64.370 1.570 19286 7665 1 25 . 1 1 115 115 VAL H H 115 7.540 7.540 7.804 -0.264 19286 7666 1 25 . 1 1 116 116 LEU HA H 116 4.280 4.280 4.136 0.144 19286 7667 1 25 . 1 1 116 116 LEU CA C 116 57.570 57.570 57.695 -0.125 19286 7668 1 25 . 1 1 117 117 VAL N N 117 119.140 119.140 116.120 3.020 19286 7669 1 25 . 1 1 117 117 VAL H H 117 8.200 8.200 7.959 0.241 19286 7670 1 25 . 1 1 120 120 SER N N 120 115.730 115.730 115.554 0.176 19286 7671 1 25 . 1 1 120 120 SER H H 120 7.780 7.780 7.768 0.012 19286 7672 1 25 . 1 1 121 121 LYS N N 121 120.870 120.870 121.485 -0.615 19286 7673 1 25 . 1 1 121 121 LYS H H 121 7.540 7.540 7.973 -0.433 19286 7674 1 25 . 1 1 122 122 GLU N N 122 120.160 120.160 120.076 0.084 19286 7675 1 25 . 1 1 122 122 GLU H H 122 8.140 8.140 8.559 -0.419 19286 7676 1 26 . 1 1 4 4 MET N N 4 121.520 121.520 115.719 5.801 19286 7677 1 26 . 1 1 4 4 MET H H 4 8.450 8.450 8.561 -0.111 19286 7678 1 26 . 1 1 5 5 THR N N 5 115.270 115.270 112.542 2.728 19286 7679 1 26 . 1 1 5 5 THR H H 5 8.090 8.090 8.129 -0.039 19286 7680 1 26 . 1 1 6 6 GLU N N 6 123.580 123.580 121.364 2.216 19286 7681 1 26 . 1 1 6 6 GLU H H 6 8.430 8.430 8.638 -0.208 19286 7682 1 26 . 1 1 7 7 ARG N N 7 120.850 120.850 117.125 3.725 19286 7683 1 26 . 1 1 7 7 ARG H H 7 8.030 8.030 8.616 -0.586 19286 7684 1 26 . 1 1 8 8 ARG N N 8 125.410 125.410 116.549 8.861 19286 7685 1 26 . 1 1 8 8 ARG HA H 8 4.370 4.370 4.416 -0.046 19286 7686 1 26 . 1 1 8 8 ARG H H 8 8.310 8.310 8.421 -0.111 19286 7687 1 26 . 1 1 9 9 LEU N N 9 130.330 130.330 120.817 9.513 19286 7688 1 26 . 1 1 9 9 LEU HA H 9 4.610 4.610 5.069 -0.459 19286 7689 1 26 . 1 1 9 9 LEU H H 9 11.100 11.100 7.759 3.341 19286 7690 1 26 . 1 1 10 10 ARG N N 10 121.420 121.420 123.922 -2.502 19286 7691 1 26 . 1 1 10 10 ARG HA H 10 5.010 5.010 4.301 0.709 19286 7692 1 26 . 1 1 10 10 ARG CA C 10 55.940 55.940 54.808 1.132 19286 7693 1 26 . 1 1 10 10 ARG H H 10 9.620 9.620 8.002 1.618 19286 7694 1 26 . 1 1 11 11 VAL N N 11 125.110 125.110 120.490 4.620 19286 7695 1 26 . 1 1 11 11 VAL HA H 11 4.970 4.970 4.097 0.873 19286 7696 1 26 . 1 1 11 11 VAL H H 11 9.210 9.210 8.509 0.701 19286 7697 1 26 . 1 1 12 12 LEU N N 12 130.050 130.050 129.750 0.300 19286 7698 1 26 . 1 1 12 12 LEU HA H 12 4.780 4.780 4.556 0.224 19286 7699 1 26 . 1 1 12 12 LEU H H 12 8.260 8.260 8.665 -0.405 19286 7700 1 26 . 1 1 13 13 VAL N N 13 128.060 128.060 124.251 3.809 19286 7701 1 26 . 1 1 13 13 VAL HA H 13 4.610 4.610 4.250 0.360 19286 7702 1 26 . 1 1 13 13 VAL H H 13 8.330 8.330 8.173 0.157 19286 7703 1 26 . 1 1 14 14 VAL N N 14 128.470 128.470 119.852 8.618 19286 7704 1 26 . 1 1 14 14 VAL HA H 14 4.700 4.700 4.684 0.016 19286 7705 1 26 . 1 1 14 14 VAL H H 14 8.840 8.840 8.994 -0.154 19286 7706 1 26 . 1 1 15 15 GLU N N 15 124.840 124.840 124.278 0.562 19286 7707 1 26 . 1 1 15 15 GLU HA H 15 4.620 4.620 4.915 -0.295 19286 7708 1 26 . 1 1 15 15 GLU H H 15 7.950 7.950 8.377 -0.427 19286 7709 1 26 . 1 1 16 16 ASP N N 16 125.840 125.840 123.792 2.048 19286 7710 1 26 . 1 1 16 16 ASP HA H 16 4.540 4.540 4.197 0.343 19286 7711 1 26 . 1 1 16 16 ASP H H 16 9.360 9.360 8.899 0.461 19286 7712 1 26 . 1 1 17 17 GLU HA H 17 4.290 4.290 4.351 -0.061 19286 7713 1 26 . 1 1 17 17 GLU CA C 17 55.540 55.540 56.143 -0.603 19286 7714 1 26 . 1 1 18 18 SER N N 18 124.990 124.990 115.032 9.958 19286 7715 1 26 . 1 1 18 18 SER HA H 18 4.610 4.610 4.478 0.132 19286 7716 1 26 . 1 1 18 18 SER H H 18 8.820 8.820 8.736 0.084 19286 7717 1 26 . 1 1 19 19 MET N N 19 119.940 119.940 118.828 1.112 19286 7718 1 26 . 1 1 19 19 MET H H 19 9.030 9.030 7.955 1.075 19286 7719 1 26 . 1 1 20 20 ILE N N 20 118.700 118.700 117.473 1.227 19286 7720 1 26 . 1 1 20 20 ILE H H 20 7.200 7.200 7.653 -0.453 19286 7721 1 26 . 1 1 21 21 ALA N N 21 123.500 123.500 123.609 -0.109 19286 7722 1 26 . 1 1 21 21 ALA CB C 21 18.860 18.860 18.554 0.306 19286 7723 1 26 . 1 1 21 21 ALA H H 21 8.370 8.370 7.642 0.728 19286 7724 1 26 . 1 1 22 22 MET N N 22 115.790 115.790 118.686 -2.896 19286 7725 1 26 . 1 1 22 22 MET HA H 22 4.160 4.160 4.239 -0.079 19286 7726 1 26 . 1 1 22 22 MET CA C 22 58.440 58.440 58.587 -0.147 19286 7727 1 26 . 1 1 22 22 MET H H 22 8.090 8.090 7.836 0.254 19286 7728 1 26 . 1 1 23 23 LEU N N 23 120.400 120.400 117.925 2.475 19286 7729 1 26 . 1 1 23 23 LEU H H 23 7.490 7.490 7.744 -0.254 19286 7730 1 26 . 1 1 24 24 ILE N N 24 120.840 120.840 120.574 0.266 19286 7731 1 26 . 1 1 24 24 ILE HA H 24 3.520 3.520 4.208 -0.688 19286 7732 1 26 . 1 1 24 24 ILE CA C 24 67.190 67.190 63.019 4.171 19286 7733 1 26 . 1 1 24 24 ILE CB C 24 38.440 38.440 39.961 -1.521 19286 7734 1 26 . 1 1 24 24 ILE H H 24 8.630 8.630 8.323 0.307 19286 7735 1 26 . 1 1 25 25 GLU N N 25 119.380 119.380 119.977 -0.597 19286 7736 1 26 . 1 1 25 25 GLU H H 25 8.550 8.550 7.850 0.700 19286 7737 1 26 . 1 1 26 26 ASP N N 26 119.700 119.700 115.123 4.577 19286 7738 1 26 . 1 1 26 26 ASP H H 26 8.890 8.890 7.885 1.005 19286 7739 1 26 . 1 1 27 27 THR N N 27 117.460 117.460 114.036 3.424 19286 7740 1 26 . 1 1 27 27 THR HA H 27 4.270 4.270 4.187 0.083 19286 7741 1 26 . 1 1 27 27 THR CA C 27 68.890 68.890 65.223 3.667 19286 7742 1 26 . 1 1 27 27 THR H H 27 8.100 8.100 7.550 0.550 19286 7743 1 26 . 1 1 28 28 LEU N N 28 120.440 120.440 122.935 -2.495 19286 7744 1 26 . 1 1 28 28 LEU HA H 28 3.920 3.920 4.137 -0.217 19286 7745 1 26 . 1 1 28 28 LEU CA C 28 58.440 58.440 57.867 0.573 19286 7746 1 26 . 1 1 28 28 LEU H H 28 8.610 8.610 8.617 -0.007 19286 7747 1 26 . 1 1 29 29 CYS N N 29 116.920 116.920 116.490 0.430 19286 7748 1 26 . 1 1 29 29 CYS H H 29 8.180 8.180 7.888 0.292 19286 7749 1 26 . 1 1 30 30 GLU N N 30 122.820 122.820 118.873 3.947 19286 7750 1 26 . 1 1 30 30 GLU HA H 30 4.160 4.160 4.181 -0.021 19286 7751 1 26 . 1 1 30 30 GLU CA C 30 59.690 59.690 58.106 1.584 19286 7752 1 26 . 1 1 30 30 GLU H H 30 8.060 8.060 7.635 0.425 19286 7753 1 26 . 1 1 31 31 LEU N N 31 116.980 116.980 118.244 -1.264 19286 7754 1 26 . 1 1 31 31 LEU H H 31 7.660 7.660 7.314 0.346 19286 7755 1 26 . 1 1 32 32 GLY N N 32 105.410 105.410 105.863 -0.453 19286 7756 1 26 . 1 1 32 32 GLY H H 32 7.600 7.600 8.289 -0.689 19286 7757 1 26 . 1 1 33 33 HIS N N 33 119.380 119.380 118.516 0.864 19286 7758 1 26 . 1 1 33 33 HIS HA H 33 5.130 5.130 4.287 0.843 19286 7759 1 26 . 1 1 33 33 HIS CA C 33 56.350 56.350 58.060 -1.710 19286 7760 1 26 . 1 1 33 33 HIS CB C 33 33.470 33.470 30.222 3.248 19286 7761 1 26 . 1 1 33 33 HIS H H 33 7.780 7.780 7.874 -0.094 19286 7762 1 26 . 1 1 34 34 GLU N N 34 117.930 117.930 118.224 -0.294 19286 7763 1 26 . 1 1 34 34 GLU H H 34 8.870 8.870 8.221 0.649 19286 7764 1 26 . 1 1 35 35 VAL N N 35 125.860 125.860 116.624 9.236 19286 7765 1 26 . 1 1 35 35 VAL HA H 35 4.710 4.710 4.202 0.508 19286 7766 1 26 . 1 1 35 35 VAL H H 35 8.870 8.870 7.797 1.073 19286 7767 1 26 . 1 1 36 36 ALA N N 36 132.950 132.950 129.958 2.992 19286 7768 1 26 . 1 1 36 36 ALA HA H 36 4.200 4.200 4.505 -0.305 19286 7769 1 26 . 1 1 36 36 ALA CB C 36 23.860 23.860 20.442 3.418 19286 7770 1 26 . 1 1 36 36 ALA H H 36 9.110 9.110 8.035 1.075 19286 7771 1 26 . 1 1 37 37 ALA N N 37 115.420 115.420 119.664 -4.244 19286 7772 1 26 . 1 1 37 37 ALA H H 37 7.480 7.480 8.023 -0.543 19286 7773 1 26 . 1 1 38 38 THR N N 38 112.980 112.980 114.764 -1.784 19286 7774 1 26 . 1 1 38 38 THR H H 38 8.170 8.170 8.312 -0.142 19286 7775 1 26 . 1 1 39 39 ALA CB C 39 22.610 22.610 19.123 3.487 19286 7776 1 26 . 1 1 40 40 SER N N 40 113.630 113.630 116.155 -2.525 19286 7777 1 26 . 1 1 40 40 SER HA H 40 4.450 4.450 4.423 0.027 19286 7778 1 26 . 1 1 40 40 SER CA C 40 57.480 57.480 58.525 -1.045 19286 7779 1 26 . 1 1 40 40 SER H H 40 8.980 8.980 8.572 0.408 19286 7780 1 26 . 1 1 41 41 ARG N N 41 117.890 117.890 127.700 -9.810 19286 7781 1 26 . 1 1 41 41 ARG CB C 41 34.110 34.110 33.052 1.058 19286 7782 1 26 . 1 1 41 41 ARG H H 41 7.340 7.340 8.585 -1.245 19286 7783 1 26 . 1 1 42 42 MET N N 42 123.460 123.460 124.140 -0.680 19286 7784 1 26 . 1 1 42 42 MET HA H 42 4.040 4.040 3.330 0.710 19286 7785 1 26 . 1 1 42 42 MET H H 42 9.340 9.340 8.993 0.347 19286 7786 1 26 . 1 1 43 43 GLN N N 43 117.010 117.010 118.748 -1.738 19286 7787 1 26 . 1 1 43 43 GLN H H 43 8.940 8.940 8.440 0.500 19286 7788 1 26 . 1 1 44 44 GLU N N 44 117.430 117.430 119.274 -1.844 19286 7789 1 26 . 1 1 44 44 GLU CB C 44 26.690 26.690 29.155 -2.465 19286 7790 1 26 . 1 1 44 44 GLU H H 44 7.160 7.160 8.459 -1.299 19286 7791 1 26 . 1 1 45 45 ALA N N 45 121.060 121.060 121.224 -0.164 19286 7792 1 26 . 1 1 45 45 ALA HA H 45 3.680 3.680 4.040 -0.360 19286 7793 1 26 . 1 1 45 45 ALA CA C 45 55.940 55.940 55.033 0.907 19286 7794 1 26 . 1 1 45 45 ALA CB C 45 20.940 20.940 18.095 2.845 19286 7795 1 26 . 1 1 45 45 ALA H H 45 8.220 8.220 8.498 -0.278 19286 7796 1 26 . 1 1 46 46 LEU N N 46 116.750 116.750 117.257 -0.507 19286 7797 1 26 . 1 1 46 46 LEU H H 46 8.350 8.350 7.579 0.771 19286 7798 1 26 . 1 1 47 47 ASP N N 47 117.760 117.760 117.809 -0.049 19286 7799 1 26 . 1 1 47 47 ASP H H 47 7.400 7.400 8.190 -0.790 19286 7800 1 26 . 1 1 48 48 ILE N N 48 118.660 118.660 114.090 4.570 19286 7801 1 26 . 1 1 48 48 ILE H H 48 8.220 8.220 7.228 0.992 19286 7802 1 26 . 1 1 49 49 ALA N N 49 123.150 123.150 123.705 -0.555 19286 7803 1 26 . 1 1 49 49 ALA HA H 49 4.040 4.040 3.877 0.163 19286 7804 1 26 . 1 1 49 49 ALA CA C 49 55.940 55.940 54.518 1.422 19286 7805 1 26 . 1 1 49 49 ALA CB C 49 18.120 18.120 18.654 -0.534 19286 7806 1 26 . 1 1 49 49 ALA H H 49 8.610 8.610 7.356 1.254 19286 7807 1 26 . 1 1 50 50 ARG N N 50 113.110 113.110 116.614 -3.504 19286 7808 1 26 . 1 1 50 50 ARG CB C 50 26.570 26.570 29.607 -3.037 19286 7809 1 26 . 1 1 50 50 ARG H H 50 7.440 7.440 7.939 -0.499 19286 7810 1 26 . 1 1 51 51 LYS N N 51 114.910 114.910 118.720 -3.810 19286 7811 1 26 . 1 1 51 51 LYS H H 51 7.550 7.550 7.029 0.521 19286 7812 1 26 . 1 1 52 52 GLY N N 52 108.150 108.150 106.387 1.763 19286 7813 1 26 . 1 1 52 52 GLY H H 52 8.920 8.920 7.864 1.056 19286 7814 1 26 . 1 1 53 53 GLN N N 53 120.450 120.450 117.057 3.393 19286 7815 1 26 . 1 1 53 53 GLN H H 53 8.320 8.320 7.907 0.413 19286 7816 1 26 . 1 1 54 54 PHE N N 54 119.090 119.090 118.102 0.988 19286 7817 1 26 . 1 1 54 54 PHE H H 54 7.180 7.180 8.280 -1.100 19286 7818 1 26 . 1 1 55 55 ASP N N 55 117.290 117.290 119.756 -2.466 19286 7819 1 26 . 1 1 55 55 ASP H H 55 9.330 9.330 8.894 0.436 19286 7820 1 26 . 1 1 56 56 ILE N N 56 109.550 109.550 117.007 -7.457 19286 7821 1 26 . 1 1 56 56 ILE HA H 56 5.220 5.220 3.951 1.269 19286 7822 1 26 . 1 1 56 56 ILE CA C 56 59.690 59.690 59.468 0.222 19286 7823 1 26 . 1 1 56 56 ILE H H 56 7.690 7.690 7.898 -0.208 19286 7824 1 26 . 1 1 57 57 ALA N N 57 122.390 122.390 123.481 -1.091 19286 7825 1 26 . 1 1 57 57 ALA HA H 57 5.480 5.480 5.062 0.418 19286 7826 1 26 . 1 1 57 57 ALA CA C 57 50.940 50.940 51.203 -0.263 19286 7827 1 26 . 1 1 57 57 ALA H H 57 8.000 8.000 7.922 0.078 19286 7828 1 26 . 1 1 59 59 ILE N N 59 122.950 122.950 129.870 -6.920 19286 7829 1 26 . 1 1 59 59 ILE HA H 59 4.990 4.990 4.606 0.384 19286 7830 1 26 . 1 1 59 59 ILE CA C 59 57.190 57.190 60.984 -3.794 19286 7831 1 26 . 1 1 59 59 ILE H H 59 8.930 8.930 8.596 0.334 19286 7832 1 26 . 1 1 60 60 ASP N N 60 127.320 127.320 123.808 3.512 19286 7833 1 26 . 1 1 60 60 ASP HA H 60 5.100 5.100 4.583 0.517 19286 7834 1 26 . 1 1 60 60 ASP CA C 60 55.100 55.100 53.431 1.669 19286 7835 1 26 . 1 1 60 60 ASP H H 60 8.360 8.360 7.993 0.367 19286 7836 1 26 . 1 1 61 61 VAL N N 61 121.040 121.040 117.528 3.512 19286 7837 1 26 . 1 1 61 61 VAL HA H 61 3.700 3.700 3.748 -0.048 19286 7838 1 26 . 1 1 61 61 VAL CA C 61 64.630 64.630 63.468 1.163 19286 7839 1 26 . 1 1 61 61 VAL CB C 61 31.590 31.590 31.984 -0.394 19286 7840 1 26 . 1 1 61 61 VAL H H 61 8.540 8.540 8.337 0.203 19286 7841 1 26 . 1 1 63 63 LEU N N 63 121.830 121.830 121.886 -0.056 19286 7842 1 26 . 1 1 63 63 LEU HA H 63 4.400 4.400 4.499 -0.099 19286 7843 1 26 . 1 1 63 63 LEU CA C 63 52.810 52.810 54.527 -1.717 19286 7844 1 26 . 1 1 63 63 LEU H H 63 8.960 8.960 7.809 1.151 19286 7845 1 26 . 1 1 64 64 ASP N N 64 128.450 128.450 121.070 7.380 19286 7846 1 26 . 1 1 64 64 ASP HA H 64 4.290 4.290 4.340 -0.050 19286 7847 1 26 . 1 1 64 64 ASP CA C 64 55.940 55.940 55.358 0.582 19286 7848 1 26 . 1 1 64 64 ASP CB C 64 40.390 40.390 39.955 0.435 19286 7849 1 26 . 1 1 64 64 ASP H H 64 9.840 9.840 8.988 0.852 19286 7850 1 26 . 1 1 65 65 GLY N N 65 133.580 133.580 103.219 30.361 19286 7851 1 26 . 1 1 65 65 GLY H H 65 8.400 8.400 8.034 0.366 19286 7852 1 26 . 1 1 66 66 GLU N N 66 121.110 121.110 119.823 1.287 19286 7853 1 26 . 1 1 66 66 GLU HA H 66 4.920 4.920 3.989 0.931 19286 7854 1 26 . 1 1 66 66 GLU CA C 66 53.100 53.100 56.321 -3.221 19286 7855 1 26 . 1 1 66 66 GLU H H 66 7.790 7.790 7.929 -0.139 19286 7856 1 26 . 1 1 69 69 TYR N N 69 120.020 120.020 117.142 2.878 19286 7857 1 26 . 1 1 69 69 TYR HA H 69 4.410 4.410 4.124 0.286 19286 7858 1 26 . 1 1 69 69 TYR CA C 69 60.970 60.970 57.685 3.285 19286 7859 1 26 . 1 1 69 69 TYR H H 69 6.480 6.480 7.136 -0.656 19286 7860 1 26 . 1 1 71 71 VAL N N 71 115.000 115.000 117.070 -2.070 19286 7861 1 26 . 1 1 71 71 VAL H H 71 7.640 7.640 7.534 0.106 19286 7862 1 26 . 1 1 72 72 ALA N N 72 122.000 122.000 123.597 -1.597 19286 7863 1 26 . 1 1 72 72 ALA CB C 72 20.110 20.110 18.225 1.885 19286 7864 1 26 . 1 1 72 72 ALA H H 72 6.890 6.890 8.113 -1.223 19286 7865 1 26 . 1 1 73 73 ASP N N 73 116.020 116.020 118.621 -2.601 19286 7866 1 26 . 1 1 73 73 ASP H H 73 8.610 8.610 7.671 0.939 19286 7867 1 26 . 1 1 74 74 ILE N N 74 120.950 120.950 120.181 0.769 19286 7868 1 26 . 1 1 74 74 ILE H H 74 7.060 7.060 7.424 -0.364 19286 7869 1 26 . 1 1 75 75 LEU N N 75 119.760 119.760 119.412 0.348 19286 7870 1 26 . 1 1 75 75 LEU H H 75 7.460 7.460 8.598 -1.138 19286 7871 1 26 . 1 1 76 76 ALA N N 76 121.160 121.160 121.417 -0.257 19286 7872 1 26 . 1 1 76 76 ALA H H 76 8.910 8.910 7.723 1.187 19286 7873 1 26 . 1 1 77 77 GLU N N 77 120.340 120.340 117.293 3.047 19286 7874 1 26 . 1 1 77 77 GLU H H 77 7.800 7.800 8.152 -0.352 19286 7875 1 26 . 1 1 78 78 ARG N N 78 116.210 116.210 115.170 1.040 19286 7876 1 26 . 1 1 78 78 ARG H H 78 7.740 7.740 7.520 0.220 19286 7877 1 26 . 1 1 79 79 ASN N N 79 116.230 116.230 121.623 -5.393 19286 7878 1 26 . 1 1 79 79 ASN H H 79 8.030 8.030 8.092 -0.062 19286 7879 1 26 . 1 1 80 80 VAL N N 80 121.200 121.200 117.902 3.298 19286 7880 1 26 . 1 1 80 80 VAL H H 80 8.200 8.200 8.038 0.162 19286 7881 1 26 . 1 1 82 82 PHE N N 82 113.440 113.440 120.293 -6.853 19286 7882 1 26 . 1 1 82 82 PHE HA H 82 5.690 5.690 5.041 0.649 19286 7883 1 26 . 1 1 82 82 PHE CA C 82 55.480 55.480 56.042 -0.562 19286 7884 1 26 . 1 1 82 82 PHE CB C 82 43.610 43.610 40.551 3.059 19286 7885 1 26 . 1 1 82 82 PHE H H 82 7.310 7.310 7.317 -0.007 19286 7886 1 26 . 1 1 83 83 ILE N N 83 115.230 115.230 118.036 -2.806 19286 7887 1 26 . 1 1 83 83 ILE HA H 83 4.260 4.260 3.381 0.879 19286 7888 1 26 . 1 1 83 83 ILE CA C 83 59.690 59.690 60.838 -1.148 19286 7889 1 26 . 1 1 83 83 ILE H H 83 7.880 7.880 7.661 0.219 19286 7890 1 26 . 1 1 84 84 PHE N N 84 122.680 122.680 124.002 -1.322 19286 7891 1 26 . 1 1 84 84 PHE HA H 84 6.190 6.190 5.070 1.120 19286 7892 1 26 . 1 1 84 84 PHE CA C 84 55.470 55.470 55.818 -0.348 19286 7893 1 26 . 1 1 84 84 PHE H H 84 8.360 8.360 7.930 0.430 19286 7894 1 26 . 1 1 85 85 ALA N N 85 123.760 123.760 127.065 -3.305 19286 7895 1 26 . 1 1 85 85 ALA HA H 85 5.540 5.540 5.214 0.326 19286 7896 1 26 . 1 1 85 85 ALA CA C 85 50.940 50.940 51.964 -1.024 19286 7897 1 26 . 1 1 85 85 ALA H H 85 8.570 8.570 8.857 -0.287 19286 7898 1 26 . 1 1 86 86 THR N N 86 114.260 114.260 115.585 -1.325 19286 7899 1 26 . 1 1 86 86 THR HA H 86 4.290 4.290 4.719 -0.429 19286 7900 1 26 . 1 1 86 86 THR CA C 86 56.720 56.720 60.348 -3.628 19286 7901 1 26 . 1 1 86 86 THR CB C 86 69.610 69.610 70.412 -0.802 19286 7902 1 26 . 1 1 86 86 THR H H 86 8.640 8.640 8.212 0.428 19286 7903 1 26 . 1 1 87 87 GLY N N 87 112.830 112.830 109.785 3.045 19286 7904 1 26 . 1 1 87 87 GLY H H 87 8.590 8.590 8.802 -0.212 19286 7905 1 26 . 1 1 89 89 GLY N N 89 111.750 111.750 110.308 1.442 19286 7906 1 26 . 1 1 89 89 GLY H H 89 8.300 8.300 7.527 0.773 19286 7907 1 26 . 1 1 90 90 SER CA C 90 57.970 57.970 58.242 -0.272 19286 7908 1 26 . 1 1 90 90 SER H H 90 4.990 4.990 6.677 -1.687 19286 7909 1 26 . 1 1 91 91 LYS N N 91 122.950 122.950 121.312 1.638 19286 7910 1 26 . 1 1 91 91 LYS H H 91 8.180 8.180 8.606 -0.426 19286 7911 1 26 . 1 1 92 92 GLY N N 92 109.390 109.390 109.222 0.168 19286 7912 1 26 . 1 1 92 92 GLY H H 92 8.320 8.320 8.231 0.089 19286 7913 1 26 . 1 1 93 93 LEU N N 93 121.760 121.760 120.042 1.718 19286 7914 1 26 . 1 1 93 93 LEU CB C 93 42.970 42.970 43.789 -0.819 19286 7915 1 26 . 1 1 93 93 LEU H H 93 7.910 7.910 7.690 0.220 19286 7916 1 26 . 1 1 94 94 ASP N N 94 122.710 122.710 119.945 2.765 19286 7917 1 26 . 1 1 94 94 ASP H H 94 7.650 7.650 8.580 -0.930 19286 7918 1 26 . 1 1 95 95 THR N N 95 117.650 117.650 113.820 3.830 19286 7919 1 26 . 1 1 95 95 THR H H 95 8.210 8.210 8.077 0.133 19286 7920 1 26 . 1 1 96 96 ARG N N 96 122.360 122.360 120.797 1.563 19286 7921 1 26 . 1 1 96 96 ARG H H 96 8.700 8.700 8.711 -0.011 19286 7922 1 26 . 1 1 97 97 TYR N N 97 117.080 117.080 118.024 -0.944 19286 7923 1 26 . 1 1 97 97 TYR CB C 97 39.220 39.220 38.839 0.381 19286 7924 1 26 . 1 1 97 97 TYR H H 97 8.000 8.000 7.673 0.327 19286 7925 1 26 . 1 1 98 98 SER N N 98 114.730 114.730 110.247 4.483 19286 7926 1 26 . 1 1 98 98 SER H H 98 7.580 7.580 8.301 -0.721 19286 7927 1 26 . 1 1 99 99 ASN N N 99 117.230 117.230 115.292 1.938 19286 7928 1 26 . 1 1 99 99 ASN H H 99 8.600 8.600 8.812 -0.212 19286 7929 1 26 . 1 1 100 100 ILE N N 100 124.250 124.250 110.376 13.874 19286 7930 1 26 . 1 1 100 100 ILE H H 100 7.520 7.520 7.812 -0.292 19286 7931 1 26 . 1 1 102 102 LEU N N 102 121.060 121.060 124.000 -2.940 19286 7932 1 26 . 1 1 102 102 LEU H H 102 7.870 7.870 8.818 -0.948 19286 7933 1 26 . 1 1 103 103 LEU N N 103 126.970 126.970 116.340 10.630 19286 7934 1 26 . 1 1 103 103 LEU HA H 103 4.620 4.620 4.651 -0.031 19286 7935 1 26 . 1 1 103 103 LEU CA C 103 54.690 54.690 54.695 -0.005 19286 7936 1 26 . 1 1 103 103 LEU H H 103 9.080 9.080 8.094 0.986 19286 7937 1 26 . 1 1 104 104 THR N N 104 118.430 118.430 113.753 4.677 19286 7938 1 26 . 1 1 104 104 THR HA H 104 4.760 4.760 4.520 0.240 19286 7939 1 26 . 1 1 104 104 THR CA C 104 63.440 63.440 60.775 2.665 19286 7940 1 26 . 1 1 104 104 THR H H 104 8.430 8.430 8.617 -0.187 19286 7941 1 26 . 1 1 105 105 LYS N N 105 122.030 122.030 119.704 2.326 19286 7942 1 26 . 1 1 105 105 LYS HA H 105 4.290 4.290 4.311 -0.021 19286 7943 1 26 . 1 1 105 105 LYS CA C 105 54.690 54.690 57.314 -2.624 19286 7944 1 26 . 1 1 105 105 LYS H H 105 8.170 8.170 8.257 -0.087 19286 7945 1 26 . 1 1 107 107 PHE N N 107 118.490 118.490 113.670 4.820 19286 7946 1 26 . 1 1 107 107 PHE H H 107 7.470 7.470 8.049 -0.579 19286 7947 1 26 . 1 1 109 109 ASP N N 109 124.810 124.810 121.662 3.148 19286 7948 1 26 . 1 1 109 109 ASP HA H 109 4.710 4.710 4.282 0.428 19286 7949 1 26 . 1 1 109 109 ASP H H 109 9.130 9.130 8.690 0.440 19286 7950 1 26 . 1 1 110 110 SER HA H 110 4.270 4.270 4.676 -0.406 19286 7951 1 26 . 1 1 110 110 SER CA C 110 59.690 59.690 59.037 0.653 19286 7952 1 26 . 1 1 111 111 GLU N N 111 123.780 123.780 120.973 2.807 19286 7953 1 26 . 1 1 111 111 GLU HA H 111 4.060 4.060 3.940 0.120 19286 7954 1 26 . 1 1 111 111 GLU CA C 111 58.440 58.440 59.558 -1.118 19286 7955 1 26 . 1 1 111 111 GLU H H 111 7.410 7.410 8.365 -0.955 19286 7956 1 26 . 1 1 112 112 LEU N N 112 120.180 120.180 115.991 4.189 19286 7957 1 26 . 1 1 112 112 LEU HA H 112 3.900 3.900 3.871 0.029 19286 7958 1 26 . 1 1 112 112 LEU CA C 112 58.440 58.440 57.735 0.705 19286 7959 1 26 . 1 1 112 112 LEU H H 112 7.670 7.670 7.710 -0.040 19286 7960 1 26 . 1 1 113 113 GLU N N 113 118.380 118.380 120.198 -1.818 19286 7961 1 26 . 1 1 113 113 GLU HA H 113 3.730 3.730 3.832 -0.102 19286 7962 1 26 . 1 1 113 113 GLU CA C 113 60.940 60.940 59.169 1.771 19286 7963 1 26 . 1 1 113 113 GLU H H 113 8.530 8.530 8.252 0.278 19286 7964 1 26 . 1 1 114 114 ALA N N 114 117.790 117.790 122.254 -4.464 19286 7965 1 26 . 1 1 114 114 ALA HA H 114 4.140 4.140 4.096 0.044 19286 7966 1 26 . 1 1 114 114 ALA CA C 114 55.540 55.540 54.695 0.845 19286 7967 1 26 . 1 1 114 114 ALA CB C 114 18.440 18.440 18.670 -0.230 19286 7968 1 26 . 1 1 114 114 ALA H H 114 7.480 7.480 7.805 -0.325 19286 7969 1 26 . 1 1 115 115 VAL N N 115 116.000 116.000 116.116 -0.116 19286 7970 1 26 . 1 1 115 115 VAL HA H 115 4.030 4.030 4.039 -0.009 19286 7971 1 26 . 1 1 115 115 VAL CA C 115 65.940 65.940 64.129 1.811 19286 7972 1 26 . 1 1 115 115 VAL H H 115 7.540 7.540 7.656 -0.116 19286 7973 1 26 . 1 1 116 116 LEU HA H 116 4.280 4.280 4.085 0.195 19286 7974 1 26 . 1 1 116 116 LEU CA C 116 57.570 57.570 57.409 0.161 19286 7975 1 26 . 1 1 117 117 VAL N N 117 119.140 119.140 116.364 2.776 19286 7976 1 26 . 1 1 117 117 VAL H H 117 8.200 8.200 7.431 0.769 19286 7977 1 26 . 1 1 120 120 SER N N 120 115.730 115.730 114.449 1.281 19286 7978 1 26 . 1 1 120 120 SER H H 120 7.780 7.780 8.303 -0.523 19286 7979 1 26 . 1 1 121 121 LYS N N 121 120.870 120.870 121.409 -0.539 19286 7980 1 26 . 1 1 121 121 LYS H H 121 7.540 7.540 8.271 -0.732 19286 7981 1 26 . 1 1 122 122 GLU N N 122 120.160 120.160 117.309 2.851 19286 7982 1 26 . 1 1 122 122 GLU H H 122 8.140 8.140 8.629 -0.489 19286 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 102 4.967 -1.304 4.817 19286 2 1 1 "Average Difference" HA 50 0.409 -0.154 0.382 19286 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19286 4 1 1 "Average Difference" CA 36 1.855 -0.070 1.880 19286 5 1 1 "Average Difference" CB 18 2.169 -0.494 2.173 19286 6 1 1 "Average Difference" HN 103 0.775 -0.119 0.770 19286 7 1 2 "Average Difference" N 102 5.343 -1.411 5.178 19286 8 1 2 "Average Difference" HA 50 0.437 -0.181 0.401 19286 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19286 10 1 2 "Average Difference" CA 36 1.987 -0.102 2.012 19286 11 1 2 "Average Difference" CB 18 2.123 -0.585 2.100 19286 12 1 2 "Average Difference" HN 103 0.820 -0.174 0.805 19286 13 1 3 "Average Difference" N 102 4.794 -1.005 4.711 19286 14 1 3 "Average Difference" HA 50 0.405 -0.160 0.376 19286 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19286 16 1 3 "Average Difference" CA 36 2.046 -0.108 2.072 19286 17 1 3 "Average Difference" CB 18 2.152 -0.634 2.116 19286 18 1 3 "Average Difference" HN 103 0.805 -0.102 0.802 19286 19 1 4 "Average Difference" N 102 5.060 -1.102 4.963 19286 20 1 4 "Average Difference" HA 50 0.410 -0.098 0.402 19286 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19286 22 1 4 "Average Difference" CA 36 1.705 0.022 1.729 19286 23 1 4 "Average Difference" CB 18 2.042 -0.597 2.009 19286 24 1 4 "Average Difference" HN 103 0.756 -0.120 0.751 19286 25 1 5 "Average Difference" N 102 5.033 -1.279 4.892 19286 26 1 5 "Average Difference" HA 50 0.450 -0.203 0.406 19286 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19286 28 1 5 "Average Difference" CA 36 1.725 -0.194 1.738 19286 29 1 5 "Average Difference" CB 18 2.061 -0.723 1.986 19286 30 1 5 "Average Difference" HN 103 0.791 -0.123 0.786 19286 31 1 6 "Average Difference" N 102 4.893 -1.294 4.742 19286 32 1 6 "Average Difference" HA 50 0.410 -0.180 0.372 19286 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19286 34 1 6 "Average Difference" CA 36 1.687 -0.027 1.710 19286 35 1 6 "Average Difference" CB 18 2.130 -0.710 2.066 19286 36 1 6 "Average Difference" HN 103 0.761 -0.115 0.756 19286 37 1 7 "Average Difference" N 102 4.774 -1.114 4.665 19286 38 1 7 "Average Difference" HA 50 0.426 -0.194 0.383 19286 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19286 40 1 7 "Average Difference" CA 36 1.880 -0.097 1.904 19286 41 1 7 "Average Difference" CB 18 2.206 -0.823 2.106 19286 42 1 7 "Average Difference" HN 103 0.754 -0.130 0.746 19286 43 1 8 "Average Difference" N 102 4.923 -1.010 4.842 19286 44 1 8 "Average Difference" HA 50 0.465 -0.176 0.435 19286 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19286 46 1 8 "Average Difference" CA 36 1.820 -0.219 1.833 19286 47 1 8 "Average Difference" CB 18 2.081 -0.733 2.005 19286 48 1 8 "Average Difference" HN 103 0.771 -0.104 0.768 19286 49 1 9 "Average Difference" N 102 4.805 -1.158 4.686 19286 50 1 9 "Average Difference" HA 50 0.441 -0.145 0.421 19286 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19286 52 1 9 "Average Difference" CA 36 1.719 -0.328 1.711 19286 53 1 9 "Average Difference" CB 18 2.278 -0.729 2.221 19286 54 1 9 "Average Difference" HN 103 0.823 -0.099 0.821 19286 55 1 10 "Average Difference" N 102 5.035 -1.217 4.910 19286 56 1 10 "Average Difference" HA 50 0.449 -0.161 0.423 19286 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19286 58 1 10 "Average Difference" CA 36 1.862 -0.218 1.876 19286 59 1 10 "Average Difference" CB 18 2.103 -0.771 2.013 19286 60 1 10 "Average Difference" HN 103 0.783 -0.130 0.776 19286 61 1 11 "Average Difference" N 102 4.876 -1.253 4.735 19286 62 1 11 "Average Difference" HA 50 0.432 -0.199 0.387 19286 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19286 64 1 11 "Average Difference" CA 36 1.897 -0.014 1.924 19286 65 1 11 "Average Difference" CB 18 2.203 -0.878 2.079 19286 66 1 11 "Average Difference" HN 103 0.796 -0.101 0.794 19286 67 1 12 "Average Difference" N 102 4.992 -1.362 4.826 19286 68 1 12 "Average Difference" HA 50 0.423 -0.159 0.396 19286 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19286 70 1 12 "Average Difference" CA 36 1.773 -0.073 1.797 19286 71 1 12 "Average Difference" CB 18 2.097 -0.623 2.061 19286 72 1 12 "Average Difference" HN 103 0.832 -0.148 0.823 19286 73 1 13 "Average Difference" N 102 4.842 -0.865 4.788 19286 74 1 13 "Average Difference" HA 50 0.479 -0.196 0.442 19286 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19286 76 1 13 "Average Difference" CA 36 1.680 -0.189 1.693 19286 77 1 13 "Average Difference" CB 18 2.035 -0.705 1.964 19286 78 1 13 "Average Difference" HN 103 0.818 -0.132 0.811 19286 79 1 14 "Average Difference" N 102 5.030 -1.436 4.845 19286 80 1 14 "Average Difference" HA 50 0.444 -0.162 0.418 19286 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19286 82 1 14 "Average Difference" CA 36 1.950 -0.159 1.971 19286 83 1 14 "Average Difference" CB 18 2.154 -0.660 2.110 19286 84 1 14 "Average Difference" HN 103 0.750 -0.127 0.743 19286 85 1 15 "Average Difference" N 102 4.674 -1.138 4.556 19286 86 1 15 "Average Difference" HA 50 0.411 -0.184 0.372 19286 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19286 88 1 15 "Average Difference" CA 36 1.636 -0.102 1.656 19286 89 1 15 "Average Difference" CB 18 2.207 -0.655 2.168 19286 90 1 15 "Average Difference" HN 103 0.725 -0.113 0.720 19286 91 1 16 "Average Difference" N 102 5.197 -1.439 5.019 19286 92 1 16 "Average Difference" HA 50 0.401 -0.170 0.367 19286 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19286 94 1 16 "Average Difference" CA 36 1.855 0.066 1.880 19286 95 1 16 "Average Difference" CB 18 2.206 -0.729 2.143 19286 96 1 16 "Average Difference" HN 103 0.795 -0.071 0.795 19286 97 1 17 "Average Difference" N 102 5.387 -1.342 5.242 19286 98 1 17 "Average Difference" HA 50 0.412 -0.129 0.395 19286 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19286 100 1 17 "Average Difference" CA 36 1.848 -0.277 1.853 19286 101 1 17 "Average Difference" CB 18 2.103 -0.571 2.082 19286 102 1 17 "Average Difference" HN 103 0.812 -0.133 0.805 19286 103 1 18 "Average Difference" N 102 4.780 -1.035 4.689 19286 104 1 18 "Average Difference" HA 50 0.411 -0.183 0.372 19286 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19286 106 1 18 "Average Difference" CA 36 1.977 0.016 2.005 19286 107 1 18 "Average Difference" CB 18 2.089 -0.686 2.030 19286 108 1 18 "Average Difference" HN 103 0.769 -0.093 0.767 19286 109 1 19 "Average Difference" N 102 4.915 -1.290 4.765 19286 110 1 19 "Average Difference" HA 50 0.419 -0.160 0.392 19286 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19286 112 1 19 "Average Difference" CA 36 1.768 -0.169 1.784 19286 113 1 19 "Average Difference" CB 18 2.180 -0.735 2.111 19286 114 1 19 "Average Difference" HN 103 0.796 -0.142 0.787 19286 115 1 20 "Average Difference" N 102 4.745 -1.017 4.658 19286 116 1 20 "Average Difference" HA 50 0.400 -0.129 0.382 19286 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19286 118 1 20 "Average Difference" CA 36 1.762 -0.132 1.782 19286 119 1 20 "Average Difference" CB 18 2.137 -0.806 2.036 19286 120 1 20 "Average Difference" HN 103 0.708 -0.143 0.697 19286 121 1 21 "Average Difference" N 102 4.964 -1.115 4.861 19286 122 1 21 "Average Difference" HA 50 0.441 -0.086 0.437 19286 123 1 21 "Average Difference" C 0 0.000 0.000 0.000 19286 124 1 21 "Average Difference" CA 36 1.810 -0.215 1.822 19286 125 1 21 "Average Difference" CB 18 2.048 -0.684 1.986 19286 126 1 21 "Average Difference" HN 103 0.766 -0.106 0.762 19286 127 1 22 "Average Difference" N 102 4.847 -1.196 4.720 19286 128 1 22 "Average Difference" HA 50 0.392 -0.165 0.359 19286 129 1 22 "Average Difference" C 0 0.000 0.000 0.000 19286 130 1 22 "Average Difference" CA 36 1.929 -0.171 1.948 19286 131 1 22 "Average Difference" CB 18 2.195 -0.786 2.109 19286 132 1 22 "Average Difference" HN 103 0.786 -0.077 0.787 19286 133 1 23 "Average Difference" N 102 5.420 -1.433 5.252 19286 134 1 23 "Average Difference" HA 50 0.425 -0.158 0.399 19286 135 1 23 "Average Difference" C 0 0.000 0.000 0.000 19286 136 1 23 "Average Difference" CA 36 1.876 -0.172 1.895 19286 137 1 23 "Average Difference" CB 18 2.158 -0.707 2.098 19286 138 1 23 "Average Difference" HN 103 0.695 -0.161 0.679 19286 139 1 24 "Average Difference" N 102 5.519 -1.362 5.374 19286 140 1 24 "Average Difference" HA 50 0.414 -0.133 0.396 19286 141 1 24 "Average Difference" C 0 0.000 0.000 0.000 19286 142 1 24 "Average Difference" CA 36 1.759 -0.226 1.769 19286 143 1 24 "Average Difference" CB 18 2.170 -0.648 2.131 19286 144 1 24 "Average Difference" HN 103 0.748 -0.119 0.742 19286 145 1 25 "Average Difference" N 102 5.154 -1.340 5.001 19286 146 1 25 "Average Difference" HA 50 0.408 -0.138 0.388 19286 147 1 25 "Average Difference" C 0 0.000 0.000 0.000 19286 148 1 25 "Average Difference" CA 36 1.897 -0.073 1.923 19286 149 1 25 "Average Difference" CB 18 2.244 -0.976 2.078 19286 150 1 25 "Average Difference" HN 103 0.735 -0.082 0.733 19286 151 1 26 "Average Difference" N 102 5.025 -1.365 4.860 19286 152 1 26 "Average Difference" HA 50 0.466 -0.192 0.429 19286 153 1 26 "Average Difference" C 0 0.000 0.000 0.000 19286 154 1 26 "Average Difference" CA 36 1.861 -0.160 1.880 19286 155 1 26 "Average Difference" CB 18 2.060 -0.573 2.036 19286 156 1 26 "Average Difference" HN 103 0.720 -0.090 0.718 19286 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 19286 _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 4 4 MET N N 4 121.520 121.520 120.032 1.488 19286 2 1 . 1 1 4 4 MET H H 4 8.450 8.450 8.279 0.171 19286 3 1 . 1 1 5 5 THR N N 5 115.270 115.270 112.250 3.020 19286 4 1 . 1 1 5 5 THR H H 5 8.090 8.090 7.983 0.107 19286 5 1 . 1 1 6 6 GLU N N 6 123.580 123.580 119.786 3.794 19286 6 1 . 1 1 6 6 GLU H H 6 8.430 8.430 8.617 -0.187 19286 7 1 . 1 1 7 7 ARG N N 7 120.850 120.850 119.407 1.443 19286 8 1 . 1 1 7 7 ARG H H 7 8.030 8.030 8.154 -0.124 19286 9 1 . 1 1 8 8 ARG N N 8 125.410 125.410 119.347 6.063 19286 10 1 . 1 1 8 8 ARG HA H 8 4.370 4.370 4.315 0.055 19286 11 1 . 1 1 8 8 ARG H H 8 8.310 8.310 8.149 0.161 19286 12 1 . 1 1 9 9 LEU N N 9 130.330 130.330 120.223 10.107 19286 13 1 . 1 1 9 9 LEU HA H 9 4.610 4.610 4.492 0.118 19286 14 1 . 1 1 9 9 LEU H H 9 11.100 11.100 7.787 3.313 19286 15 1 . 1 1 10 10 ARG N N 10 121.420 121.420 121.517 -0.097 19286 16 1 . 1 1 10 10 ARG HA H 10 5.010 5.010 4.474 0.536 19286 17 1 . 1 1 10 10 ARG CA C 10 55.940 55.940 54.264 1.676 19286 18 1 . 1 1 10 10 ARG H H 10 9.620 9.620 8.335 1.285 19286 19 1 . 1 1 11 11 VAL N N 11 125.110 125.110 119.937 5.173 19286 20 1 . 1 1 11 11 VAL HA H 11 4.970 4.970 4.519 0.451 19286 21 1 . 1 1 11 11 VAL H H 11 9.210 9.210 8.407 0.803 19286 22 1 . 1 1 12 12 LEU N N 12 130.050 130.050 129.196 0.854 19286 23 1 . 1 1 12 12 LEU HA H 12 4.780 4.780 4.653 0.127 19286 24 1 . 1 1 12 12 LEU H H 12 8.260 8.260 8.809 -0.549 19286 25 1 . 1 1 13 13 VAL N N 13 128.060 128.060 124.204 3.856 19286 26 1 . 1 1 13 13 VAL HA H 13 4.610 4.610 4.335 0.275 19286 27 1 . 1 1 13 13 VAL H H 13 8.330 8.330 8.060 0.270 19286 28 1 . 1 1 14 14 VAL N N 14 128.470 128.470 120.206 8.264 19286 29 1 . 1 1 14 14 VAL HA H 14 4.700 4.700 4.696 0.004 19286 30 1 . 1 1 14 14 VAL H H 14 8.840 8.840 8.893 -0.053 19286 31 1 . 1 1 15 15 GLU N N 15 124.840 124.840 123.080 1.760 19286 32 1 . 1 1 15 15 GLU HA H 15 4.620 4.620 4.638 -0.018 19286 33 1 . 1 1 15 15 GLU H H 15 7.950 7.950 8.314 -0.364 19286 34 1 . 1 1 16 16 ASP N N 16 125.840 125.840 121.608 4.232 19286 35 1 . 1 1 16 16 ASP HA H 16 4.540 4.540 4.338 0.202 19286 36 1 . 1 1 16 16 ASP H H 16 9.360 9.360 8.804 0.556 19286 37 1 . 1 1 17 17 GLU HA H 17 4.290 4.290 4.409 -0.119 19286 38 1 . 1 1 17 17 GLU CA C 17 55.540 55.540 55.724 -0.184 19286 39 1 . 1 1 18 18 SER N N 18 124.990 124.990 115.918 9.072 19286 40 1 . 1 1 18 18 SER HA H 18 4.610 4.610 4.426 0.184 19286 41 1 . 1 1 18 18 SER H H 18 8.820 8.820 8.790 0.030 19286 42 1 . 1 1 19 19 MET N N 19 119.940 119.940 121.516 -1.576 19286 43 1 . 1 1 19 19 MET H H 19 9.030 9.030 8.176 0.854 19286 44 1 . 1 1 20 20 ILE N N 20 118.700 118.700 117.409 1.291 19286 45 1 . 1 1 20 20 ILE H H 20 7.200 7.200 7.686 -0.486 19286 46 1 . 1 1 21 21 ALA N N 21 123.500 123.500 124.007 -0.507 19286 47 1 . 1 1 21 21 ALA CB C 21 18.860 18.860 18.618 0.242 19286 48 1 . 1 1 21 21 ALA H H 21 8.370 8.370 7.992 0.377 19286 49 1 . 1 1 22 22 MET N N 22 115.790 115.790 119.089 -3.299 19286 50 1 . 1 1 22 22 MET HA H 22 4.160 4.160 4.238 -0.078 19286 51 1 . 1 1 22 22 MET CA C 22 58.440 58.440 58.272 0.168 19286 52 1 . 1 1 22 22 MET H H 22 8.090 8.090 7.896 0.194 19286 53 1 . 1 1 23 23 LEU N N 23 120.400 120.400 119.192 1.209 19286 54 1 . 1 1 23 23 LEU H H 23 7.490 7.490 7.738 -0.248 19286 55 1 . 1 1 24 24 ILE N N 24 120.840 120.840 120.397 0.443 19286 56 1 . 1 1 24 24 ILE HA H 24 3.520 3.520 4.106 -0.586 19286 57 1 . 1 1 24 24 ILE CA C 24 67.190 67.190 63.244 3.946 19286 58 1 . 1 1 24 24 ILE CB C 24 38.440 38.440 39.453 -1.013 19286 59 1 . 1 1 24 24 ILE H H 24 8.630 8.630 8.493 0.137 19286 60 1 . 1 1 25 25 GLU N N 25 119.380 119.380 119.810 -0.430 19286 61 1 . 1 1 25 25 GLU H H 25 8.550 8.550 7.852 0.698 19286 62 1 . 1 1 26 26 ASP N N 26 119.700 119.700 116.799 2.901 19286 63 1 . 1 1 26 26 ASP H H 26 8.890 8.890 7.848 1.042 19286 64 1 . 1 1 27 27 THR N N 27 117.460 117.460 115.342 2.118 19286 65 1 . 1 1 27 27 THR HA H 27 4.270 4.270 4.087 0.183 19286 66 1 . 1 1 27 27 THR CA C 27 68.890 68.890 65.506 3.384 19286 67 1 . 1 1 27 27 THR H H 27 8.100 8.100 7.459 0.641 19286 68 1 . 1 1 28 28 LEU N N 28 120.440 120.440 122.837 -2.397 19286 69 1 . 1 1 28 28 LEU HA H 28 3.920 3.920 4.174 -0.254 19286 70 1 . 1 1 28 28 LEU CA C 28 58.440 58.440 57.795 0.645 19286 71 1 . 1 1 28 28 LEU H H 28 8.610 8.610 8.548 0.062 19286 72 1 . 1 1 29 29 CYS N N 29 116.920 116.920 117.394 -0.474 19286 73 1 . 1 1 29 29 CYS H H 29 8.180 8.180 7.837 0.343 19286 74 1 . 1 1 30 30 GLU N N 30 122.820 122.820 119.988 2.831 19286 75 1 . 1 1 30 30 GLU HA H 30 4.160 4.160 4.206 -0.046 19286 76 1 . 1 1 30 30 GLU CA C 30 59.690 59.690 58.313 1.377 19286 77 1 . 1 1 30 30 GLU H H 30 8.060 8.060 7.797 0.263 19286 78 1 . 1 1 31 31 LEU N N 31 116.980 116.980 118.210 -1.230 19286 79 1 . 1 1 31 31 LEU H H 31 7.660 7.660 7.719 -0.059 19286 80 1 . 1 1 32 32 GLY N N 32 105.410 105.410 105.480 -0.070 19286 81 1 . 1 1 32 32 GLY H H 32 7.600 7.600 8.116 -0.516 19286 82 1 . 1 1 33 33 HIS N N 33 119.380 119.380 117.845 1.535 19286 83 1 . 1 1 33 33 HIS HA H 33 5.130 5.130 4.348 0.782 19286 84 1 . 1 1 33 33 HIS CA C 33 56.350 56.350 57.631 -1.281 19286 85 1 . 1 1 33 33 HIS CB C 33 33.470 33.470 30.251 3.219 19286 86 1 . 1 1 33 33 HIS H H 33 7.780 7.780 7.663 0.117 19286 87 1 . 1 1 34 34 GLU N N 34 117.930 117.930 120.431 -2.501 19286 88 1 . 1 1 34 34 GLU H H 34 8.870 8.870 8.300 0.570 19286 89 1 . 1 1 35 35 VAL N N 35 125.860 125.860 117.029 8.831 19286 90 1 . 1 1 35 35 VAL HA H 35 4.710 4.710 4.271 0.439 19286 91 1 . 1 1 35 35 VAL H H 35 8.870 8.870 8.006 0.864 19286 92 1 . 1 1 36 36 ALA N N 36 132.950 132.950 129.561 3.389 19286 93 1 . 1 1 36 36 ALA HA H 36 4.200 4.200 4.629 -0.429 19286 94 1 . 1 1 36 36 ALA CB C 36 23.860 23.860 20.446 3.414 19286 95 1 . 1 1 36 36 ALA H H 36 9.110 9.110 8.230 0.880 19286 96 1 . 1 1 37 37 ALA N N 37 115.420 115.420 121.064 -5.644 19286 97 1 . 1 1 37 37 ALA H H 37 7.480 7.480 8.037 -0.557 19286 98 1 . 1 1 38 38 THR N N 38 112.980 112.980 114.569 -1.589 19286 99 1 . 1 1 38 38 THR H H 38 8.170 8.170 8.248 -0.078 19286 100 1 . 1 1 39 39 ALA CB C 39 22.610 22.610 18.919 3.691 19286 101 1 . 1 1 40 40 SER N N 40 113.630 113.630 116.207 -2.577 19286 102 1 . 1 1 40 40 SER HA H 40 4.450 4.450 4.433 0.017 19286 103 1 . 1 1 40 40 SER CA C 40 57.480 57.480 58.734 -1.254 19286 104 1 . 1 1 40 40 SER H H 40 8.980 8.980 8.521 0.459 19286 105 1 . 1 1 41 41 ARG N N 41 117.890 117.890 127.610 -9.720 19286 106 1 . 1 1 41 41 ARG CB C 41 34.110 34.110 32.584 1.526 19286 107 1 . 1 1 41 41 ARG H H 41 7.340 7.340 8.423 -1.083 19286 108 1 . 1 1 42 42 MET N N 42 123.460 123.460 124.962 -1.502 19286 109 1 . 1 1 42 42 MET HA H 42 4.040 4.040 3.589 0.451 19286 110 1 . 1 1 42 42 MET H H 42 9.340 9.340 8.850 0.490 19286 111 1 . 1 1 43 43 GLN N N 43 117.010 117.010 119.269 -2.259 19286 112 1 . 1 1 43 43 GLN H H 43 8.940 8.940 8.394 0.546 19286 113 1 . 1 1 44 44 GLU N N 44 117.430 117.430 119.199 -1.769 19286 114 1 . 1 1 44 44 GLU CB C 44 26.690 26.690 29.230 -2.540 19286 115 1 . 1 1 44 44 GLU H H 44 7.160 7.160 8.370 -1.210 19286 116 1 . 1 1 45 45 ALA N N 45 121.060 121.060 122.292 -1.232 19286 117 1 . 1 1 45 45 ALA HA H 45 3.680 3.680 3.996 -0.316 19286 118 1 . 1 1 45 45 ALA CA C 45 55.940 55.940 55.210 0.730 19286 119 1 . 1 1 45 45 ALA CB C 45 20.940 20.940 18.369 2.571 19286 120 1 . 1 1 45 45 ALA H H 45 8.220 8.220 8.340 -0.120 19286 121 1 . 1 1 46 46 LEU N N 46 116.750 116.750 118.348 -1.598 19286 122 1 . 1 1 46 46 LEU H H 46 8.350 8.350 7.695 0.655 19286 123 1 . 1 1 47 47 ASP N N 47 117.760 117.760 118.379 -0.619 19286 124 1 . 1 1 47 47 ASP H H 47 7.400 7.400 7.992 -0.592 19286 125 1 . 1 1 48 48 ILE N N 48 118.660 118.660 114.982 3.678 19286 126 1 . 1 1 48 48 ILE H H 48 8.220 8.220 7.663 0.557 19286 127 1 . 1 1 49 49 ALA N N 49 123.150 123.150 123.472 -0.322 19286 128 1 . 1 1 49 49 ALA HA H 49 4.040 4.040 4.011 0.029 19286 129 1 . 1 1 49 49 ALA CA C 49 55.940 55.940 53.933 2.007 19286 130 1 . 1 1 49 49 ALA CB C 49 18.120 18.120 19.046 -0.926 19286 131 1 . 1 1 49 49 ALA H H 49 8.610 8.610 7.345 1.265 19286 132 1 . 1 1 50 50 ARG N N 50 113.110 113.110 118.567 -5.457 19286 133 1 . 1 1 50 50 ARG CB C 50 26.570 26.570 29.899 -3.329 19286 134 1 . 1 1 50 50 ARG H H 50 7.440 7.440 8.034 -0.594 19286 135 1 . 1 1 51 51 LYS N N 51 114.910 114.910 118.311 -3.401 19286 136 1 . 1 1 51 51 LYS H H 51 7.550 7.550 7.659 -0.109 19286 137 1 . 1 1 52 52 GLY N N 52 108.150 108.150 107.081 1.069 19286 138 1 . 1 1 52 52 GLY H H 52 8.920 8.920 8.152 0.768 19286 139 1 . 1 1 53 53 GLN N N 53 120.450 120.450 118.980 1.470 19286 140 1 . 1 1 53 53 GLN H H 53 8.320 8.320 8.156 0.164 19286 141 1 . 1 1 54 54 PHE N N 54 119.090 119.090 117.087 2.003 19286 142 1 . 1 1 54 54 PHE H H 54 7.180 7.180 7.942 -0.762 19286 143 1 . 1 1 55 55 ASP N N 55 117.290 117.290 118.807 -1.517 19286 144 1 . 1 1 55 55 ASP H H 55 9.330 9.330 8.102 1.228 19286 145 1 . 1 1 56 56 ILE N N 56 109.550 109.550 118.209 -8.659 19286 146 1 . 1 1 56 56 ILE HA H 56 5.220 5.220 4.350 0.870 19286 147 1 . 1 1 56 56 ILE CA C 56 59.690 59.690 60.153 -0.463 19286 148 1 . 1 1 56 56 ILE H H 56 7.690 7.690 7.900 -0.210 19286 149 1 . 1 1 57 57 ALA N N 57 122.390 122.390 125.648 -3.258 19286 150 1 . 1 1 57 57 ALA HA H 57 5.480 5.480 5.421 0.059 19286 151 1 . 1 1 57 57 ALA CA C 57 50.940 50.940 51.190 -0.250 19286 152 1 . 1 1 57 57 ALA H H 57 8.000 8.000 8.322 -0.322 19286 153 1 . 1 1 59 59 ILE N N 59 122.950 122.950 128.801 -5.851 19286 154 1 . 1 1 59 59 ILE HA H 59 4.990 4.990 4.482 0.508 19286 155 1 . 1 1 59 59 ILE CA C 59 57.190 57.190 59.619 -2.429 19286 156 1 . 1 1 59 59 ILE H H 59 8.930 8.930 7.780 1.150 19286 157 1 . 1 1 60 60 ASP N N 60 127.320 127.320 123.508 3.812 19286 158 1 . 1 1 60 60 ASP HA H 60 5.100 5.100 4.552 0.548 19286 159 1 . 1 1 60 60 ASP CA C 60 55.100 55.100 54.092 1.008 19286 160 1 . 1 1 60 60 ASP H H 60 8.360 8.360 7.653 0.707 19286 161 1 . 1 1 61 61 VAL N N 61 121.040 121.040 118.165 2.875 19286 162 1 . 1 1 61 61 VAL HA H 61 3.700 3.700 3.763 -0.063 19286 163 1 . 1 1 61 61 VAL CA C 61 64.630 64.630 63.355 1.275 19286 164 1 . 1 1 61 61 VAL CB C 61 31.590 31.590 31.500 0.090 19286 165 1 . 1 1 61 61 VAL H H 61 8.540 8.540 8.422 0.118 19286 166 1 . 1 1 63 63 LEU N N 63 121.830 121.830 119.537 2.293 19286 167 1 . 1 1 63 63 LEU HA H 63 4.400 4.400 4.581 -0.181 19286 168 1 . 1 1 63 63 LEU CA C 63 52.810 52.810 54.395 -1.585 19286 169 1 . 1 1 63 63 LEU H H 63 8.960 8.960 7.639 1.321 19286 170 1 . 1 1 64 64 ASP N N 64 128.450 128.450 120.037 8.413 19286 171 1 . 1 1 64 64 ASP HA H 64 4.290 4.290 4.367 -0.077 19286 172 1 . 1 1 64 64 ASP CA C 64 55.940 55.940 55.513 0.427 19286 173 1 . 1 1 64 64 ASP CB C 64 40.390 40.390 40.228 0.162 19286 174 1 . 1 1 64 64 ASP H H 64 9.840 9.840 8.900 0.940 19286 175 1 . 1 1 65 65 GLY N N 65 133.580 133.580 103.900 29.680 19286 176 1 . 1 1 65 65 GLY H H 65 8.400 8.400 7.910 0.490 19286 177 1 . 1 1 66 66 GLU N N 66 121.110 121.110 119.642 1.468 19286 178 1 . 1 1 66 66 GLU HA H 66 4.920 4.920 4.081 0.839 19286 179 1 . 1 1 66 66 GLU CA C 66 53.100 53.100 56.447 -3.347 19286 180 1 . 1 1 66 66 GLU H H 66 7.790 7.790 8.021 -0.231 19286 181 1 . 1 1 69 69 TYR N N 69 120.020 120.020 116.979 3.041 19286 182 1 . 1 1 69 69 TYR HA H 69 4.410 4.410 4.172 0.238 19286 183 1 . 1 1 69 69 TYR CA C 69 60.970 60.970 57.512 3.458 19286 184 1 . 1 1 69 69 TYR H H 69 6.480 6.480 7.500 -1.020 19286 185 1 . 1 1 71 71 VAL N N 71 115.000 115.000 119.281 -4.281 19286 186 1 . 1 1 71 71 VAL H H 71 7.640 7.640 7.652 -0.012 19286 187 1 . 1 1 72 72 ALA N N 72 122.000 122.000 123.287 -1.287 19286 188 1 . 1 1 72 72 ALA CB C 72 20.110 20.110 18.149 1.961 19286 189 1 . 1 1 72 72 ALA H H 72 6.890 6.890 7.883 -0.993 19286 190 1 . 1 1 73 73 ASP N N 73 116.020 116.020 118.515 -2.495 19286 191 1 . 1 1 73 73 ASP H H 73 8.610 8.610 7.601 1.009 19286 192 1 . 1 1 74 74 ILE N N 74 120.950 120.950 120.508 0.442 19286 193 1 . 1 1 74 74 ILE H H 74 7.060 7.060 7.461 -0.401 19286 194 1 . 1 1 75 75 LEU N N 75 119.760 119.760 119.651 0.109 19286 195 1 . 1 1 75 75 LEU H H 75 7.460 7.460 8.406 -0.946 19286 196 1 . 1 1 76 76 ALA N N 76 121.160 121.160 120.154 1.006 19286 197 1 . 1 1 76 76 ALA H H 76 8.910 8.910 7.881 1.029 19286 198 1 . 1 1 77 77 GLU N N 77 120.340 120.340 118.681 1.659 19286 199 1 . 1 1 77 77 GLU H H 77 7.800 7.800 8.052 -0.252 19286 200 1 . 1 1 78 78 ARG N N 78 116.210 116.210 115.814 0.396 19286 201 1 . 1 1 78 78 ARG H H 78 7.740 7.740 7.547 0.193 19286 202 1 . 1 1 79 79 ASN N N 79 116.230 116.230 118.986 -2.756 19286 203 1 . 1 1 79 79 ASN H H 79 8.030 8.030 7.857 0.173 19286 204 1 . 1 1 80 80 VAL N N 80 121.200 121.200 118.857 2.343 19286 205 1 . 1 1 80 80 VAL H H 80 8.200 8.200 7.586 0.614 19286 206 1 . 1 1 82 82 PHE N N 82 113.440 113.440 119.244 -5.804 19286 207 1 . 1 1 82 82 PHE HA H 82 5.690 5.690 4.980 0.710 19286 208 1 . 1 1 82 82 PHE CA C 82 55.480 55.480 55.823 -0.343 19286 209 1 . 1 1 82 82 PHE CB C 82 43.610 43.610 40.431 3.179 19286 210 1 . 1 1 82 82 PHE H H 82 7.310 7.310 7.857 -0.547 19286 211 1 . 1 1 83 83 ILE N N 83 115.230 115.230 118.159 -2.929 19286 212 1 . 1 1 83 83 ILE HA H 83 4.260 4.260 3.642 0.618 19286 213 1 . 1 1 83 83 ILE CA C 83 59.690 59.690 60.520 -0.830 19286 214 1 . 1 1 83 83 ILE H H 83 7.880 7.880 7.770 0.110 19286 215 1 . 1 1 84 84 PHE N N 84 122.680 122.680 122.920 -0.240 19286 216 1 . 1 1 84 84 PHE HA H 84 6.190 6.190 4.884 1.306 19286 217 1 . 1 1 84 84 PHE CA C 84 55.470 55.470 56.824 -1.354 19286 218 1 . 1 1 84 84 PHE H H 84 8.360 8.360 8.267 0.093 19286 219 1 . 1 1 85 85 ALA N N 85 123.760 123.760 124.049 -0.289 19286 220 1 . 1 1 85 85 ALA HA H 85 5.540 5.540 5.111 0.429 19286 221 1 . 1 1 85 85 ALA CA C 85 50.940 50.940 51.947 -1.007 19286 222 1 . 1 1 85 85 ALA H H 85 8.570 8.570 8.007 0.563 19286 223 1 . 1 1 86 86 THR N N 86 114.260 114.260 115.154 -0.894 19286 224 1 . 1 1 86 86 THR HA H 86 4.290 4.290 4.570 -0.280 19286 225 1 . 1 1 86 86 THR CA C 86 56.720 56.720 60.595 -3.875 19286 226 1 . 1 1 86 86 THR CB C 86 69.610 69.610 70.113 -0.503 19286 227 1 . 1 1 86 86 THR H H 86 8.640 8.640 8.200 0.440 19286 228 1 . 1 1 87 87 GLY N N 87 112.830 112.830 109.969 2.861 19286 229 1 . 1 1 87 87 GLY H H 87 8.590 8.590 8.633 -0.043 19286 230 1 . 1 1 89 89 GLY N N 89 111.750 111.750 109.366 2.384 19286 231 1 . 1 1 89 89 GLY H H 89 8.300 8.300 7.813 0.487 19286 232 1 . 1 1 90 90 SER CA C 90 57.970 57.970 58.760 -0.790 19286 233 1 . 1 1 90 90 SER H H 90 4.990 4.990 7.782 -2.792 19286 234 1 . 1 1 91 91 LYS N N 91 122.950 122.950 121.635 1.315 19286 235 1 . 1 1 91 91 LYS H H 91 8.180 8.180 8.354 -0.174 19286 236 1 . 1 1 92 92 GLY N N 92 109.390 109.390 108.076 1.314 19286 237 1 . 1 1 92 92 GLY H H 92 8.320 8.320 8.183 0.137 19286 238 1 . 1 1 93 93 LEU N N 93 121.760 121.760 119.537 2.223 19286 239 1 . 1 1 93 93 LEU CB C 93 42.970 42.970 42.383 0.587 19286 240 1 . 1 1 93 93 LEU H H 93 7.910 7.910 7.661 0.249 19286 241 1 . 1 1 94 94 ASP N N 94 122.710 122.710 120.702 2.008 19286 242 1 . 1 1 94 94 ASP H H 94 7.650 7.650 8.357 -0.707 19286 243 1 . 1 1 95 95 THR N N 95 117.650 117.650 113.347 4.303 19286 244 1 . 1 1 95 95 THR H H 95 8.210 8.210 8.089 0.120 19286 245 1 . 1 1 96 96 ARG N N 96 122.360 122.360 121.323 1.037 19286 246 1 . 1 1 96 96 ARG H H 96 8.700 8.700 8.881 -0.181 19286 247 1 . 1 1 97 97 TYR N N 97 117.080 117.080 117.958 -0.878 19286 248 1 . 1 1 97 97 TYR CB C 97 39.220 39.220 38.592 0.628 19286 249 1 . 1 1 97 97 TYR H H 97 8.000 8.000 7.837 0.163 19286 250 1 . 1 1 98 98 SER N N 98 114.730 114.730 111.494 3.236 19286 251 1 . 1 1 98 98 SER H H 98 7.580 7.580 8.070 -0.490 19286 252 1 . 1 1 99 99 ASN N N 99 117.230 117.230 115.904 1.326 19286 253 1 . 1 1 99 99 ASN H H 99 8.600 8.600 8.579 0.020 19286 254 1 . 1 1 100 100 ILE N N 100 124.250 124.250 113.632 10.618 19286 255 1 . 1 1 100 100 ILE H H 100 7.520 7.520 7.896 -0.376 19286 256 1 . 1 1 102 102 LEU N N 102 121.060 121.060 118.922 2.138 19286 257 1 . 1 1 102 102 LEU H H 102 7.870 7.870 7.582 0.288 19286 258 1 . 1 1 103 103 LEU N N 103 126.970 126.970 118.009 8.961 19286 259 1 . 1 1 103 103 LEU HA H 103 4.620 4.620 4.685 -0.065 19286 260 1 . 1 1 103 103 LEU CA C 103 54.690 54.690 54.690 0.000 19286 261 1 . 1 1 103 103 LEU H H 103 9.080 9.080 7.963 1.117 19286 262 1 . 1 1 104 104 THR N N 104 118.430 118.430 114.244 4.186 19286 263 1 . 1 1 104 104 THR HA H 104 4.760 4.760 4.456 0.304 19286 264 1 . 1 1 104 104 THR CA C 104 63.440 63.440 61.590 1.850 19286 265 1 . 1 1 104 104 THR H H 104 8.430 8.430 8.246 0.184 19286 266 1 . 1 1 105 105 LYS N N 105 122.030 122.030 119.384 2.646 19286 267 1 . 1 1 105 105 LYS HA H 105 4.290 4.290 4.262 0.028 19286 268 1 . 1 1 105 105 LYS CA C 105 54.690 54.690 56.321 -1.631 19286 269 1 . 1 1 105 105 LYS H H 105 8.170 8.170 8.168 0.002 19286 270 1 . 1 1 107 107 PHE N N 107 118.490 118.490 115.836 2.654 19286 271 1 . 1 1 107 107 PHE H H 107 7.470 7.470 7.858 -0.388 19286 272 1 . 1 1 109 109 ASP N N 109 124.810 124.810 116.691 8.119 19286 273 1 . 1 1 109 109 ASP HA H 109 4.710 4.710 4.616 0.094 19286 274 1 . 1 1 109 109 ASP H H 109 9.130 9.130 8.463 0.667 19286 275 1 . 1 1 110 110 SER HA H 110 4.270 4.270 4.315 -0.045 19286 276 1 . 1 1 110 110 SER CA C 110 59.690 59.690 60.016 -0.326 19286 277 1 . 1 1 111 111 GLU N N 111 123.780 123.780 121.130 2.650 19286 278 1 . 1 1 111 111 GLU HA H 111 4.060 4.060 3.949 0.111 19286 279 1 . 1 1 111 111 GLU CA C 111 58.440 58.440 59.693 -1.253 19286 280 1 . 1 1 111 111 GLU H H 111 7.410 7.410 8.563 -1.153 19286 281 1 . 1 1 112 112 LEU N N 112 120.180 120.180 117.718 2.462 19286 282 1 . 1 1 112 112 LEU HA H 112 3.900 3.900 3.938 -0.038 19286 283 1 . 1 1 112 112 LEU CA C 112 58.440 58.440 57.957 0.483 19286 284 1 . 1 1 112 112 LEU H H 112 7.670 7.670 7.850 -0.180 19286 285 1 . 1 1 113 113 GLU N N 113 118.380 118.380 119.391 -1.011 19286 286 1 . 1 1 113 113 GLU HA H 113 3.730 3.730 3.868 -0.138 19286 287 1 . 1 1 113 113 GLU CA C 113 60.940 60.940 59.424 1.516 19286 288 1 . 1 1 113 113 GLU H H 113 8.530 8.530 8.222 0.308 19286 289 1 . 1 1 114 114 ALA N N 114 117.790 117.790 120.827 -3.037 19286 290 1 . 1 1 114 114 ALA HA H 114 4.140 4.140 4.122 0.018 19286 291 1 . 1 1 114 114 ALA CA C 114 55.540 55.540 54.927 0.613 19286 292 1 . 1 1 114 114 ALA CB C 114 18.440 18.440 18.781 -0.341 19286 293 1 . 1 1 114 114 ALA H H 114 7.480 7.480 7.892 -0.412 19286 294 1 . 1 1 115 115 VAL N N 115 116.000 116.000 114.517 1.483 19286 295 1 . 1 1 115 115 VAL HA H 115 4.030 4.030 4.147 -0.117 19286 296 1 . 1 1 115 115 VAL CA C 115 65.940 65.940 63.906 2.033 19286 297 1 . 1 1 115 115 VAL H H 115 7.540 7.540 7.754 -0.214 19286 298 1 . 1 1 116 116 LEU HA H 116 4.280 4.280 4.305 -0.025 19286 299 1 . 1 1 116 116 LEU CA C 116 57.570 57.570 57.271 0.299 19286 300 1 . 1 1 117 117 VAL N N 117 119.140 119.140 116.873 2.267 19286 301 1 . 1 1 117 117 VAL H H 117 8.200 8.200 7.883 0.317 19286 302 1 . 1 1 120 120 SER N N 120 115.730 115.730 115.775 -0.045 19286 303 1 . 1 1 120 120 SER H H 120 7.780 7.780 7.815 -0.035 19286 304 1 . 1 1 121 121 LYS N N 121 120.870 120.870 121.425 -0.555 19286 305 1 . 1 1 121 121 LYS H H 121 7.540 7.540 8.263 -0.723 19286 306 1 . 1 1 122 122 GLU N N 122 120.160 120.160 118.659 1.501 19286 307 1 . 1 1 122 122 GLU H H 122 8.140 8.140 8.431 -0.291 19286 stop_ save_