data_19974 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19974 _Entry.PDB_ID 2MPB 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 19974 _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 3 3 LYS HA H 3 4.317 4.317 4.280 0.037 19974 2 1 1 . 1 1 3 3 LYS C C 3 176.840 176.840 177.173 -0.333 19974 3 1 1 . 1 1 3 3 LYS CA C 3 56.180 56.180 55.927 0.253 19974 4 1 1 . 1 1 3 3 LYS CB C 3 33.030 33.030 32.229 0.801 19974 5 1 1 . 1 1 4 4 ILE N N 4 122.990 122.990 120.483 2.507 19974 6 1 1 . 1 1 4 4 ILE HA H 4 3.919 3.919 3.816 0.103 19974 7 1 1 . 1 1 4 4 ILE C C 4 176.120 176.120 176.009 0.111 19974 8 1 1 . 1 1 4 4 ILE CA C 4 61.530 61.530 62.133 -0.603 19974 9 1 1 . 1 1 4 4 ILE CB C 4 38.040 38.040 38.270 -0.230 19974 10 1 1 . 1 1 4 4 ILE H H 4 8.391 8.391 8.397 -0.006 19974 11 1 1 . 1 1 5 5 GLU N N 5 123.430 123.430 118.947 4.483 19974 12 1 1 . 1 1 5 5 GLU HA H 5 4.116 4.116 4.032 0.084 19974 13 1 1 . 1 1 5 5 GLU C C 5 175.830 175.830 176.190 -0.360 19974 14 1 1 . 1 1 5 5 GLU CA C 5 56.900 56.900 57.815 -0.915 19974 15 1 1 . 1 1 5 5 GLU CB C 5 29.350 29.350 29.743 -0.393 19974 16 1 1 . 1 1 5 5 GLU H H 5 8.508 8.508 8.266 0.242 19974 17 1 1 . 1 1 6 6 GLU N N 6 119.490 119.490 118.698 0.792 19974 18 1 1 . 1 1 6 6 GLU HA H 6 4.128 4.128 4.424 -0.296 19974 19 1 1 . 1 1 6 6 GLU C C 6 176.270 176.270 175.228 1.042 19974 20 1 1 . 1 1 6 6 GLU CA C 6 55.700 55.700 55.186 0.514 19974 21 1 1 . 1 1 6 6 GLU CB C 6 30.190 30.190 29.957 0.233 19974 22 1 1 . 1 1 6 6 GLU H H 6 7.843 7.843 7.458 0.385 19974 23 1 1 . 1 1 7 7 PHE N N 7 121.090 121.090 121.717 -0.627 19974 24 1 1 . 1 1 7 7 PHE HA H 7 4.284 4.284 4.378 -0.094 19974 25 1 1 . 1 1 7 7 PHE C C 7 174.810 174.810 176.054 -1.244 19974 26 1 1 . 1 1 7 7 PHE CA C 7 59.660 59.660 59.370 0.290 19974 27 1 1 . 1 1 7 7 PHE CB C 7 39.990 39.990 39.555 0.435 19974 28 1 1 . 1 1 7 7 PHE H H 7 8.092 8.092 8.347 -0.255 19974 29 1 1 . 1 1 8 8 LEU N N 8 116.700 116.700 117.382 -0.682 19974 30 1 1 . 1 1 8 8 LEU HA H 8 4.792 4.792 4.761 0.031 19974 31 1 1 . 1 1 8 8 LEU C C 8 176.940 176.940 175.569 1.371 19974 32 1 1 . 1 1 8 8 LEU CA C 8 52.730 52.730 53.181 -0.451 19974 33 1 1 . 1 1 8 8 LEU CB C 8 45.650 45.650 45.720 -0.070 19974 34 1 1 . 1 1 8 8 LEU H H 8 7.721 7.721 7.679 0.042 19974 35 1 1 . 1 1 9 9 THR N N 9 113.700 113.700 113.294 0.406 19974 36 1 1 . 1 1 9 9 THR HA H 9 4.397 4.397 4.449 -0.052 19974 37 1 1 . 1 1 9 9 THR C C 9 175.410 175.410 175.706 -0.296 19974 38 1 1 . 1 1 9 9 THR CA C 9 60.650 60.650 60.429 0.221 19974 39 1 1 . 1 1 9 9 THR CB C 9 70.800 70.800 70.366 0.434 19974 40 1 1 . 1 1 9 9 THR H H 9 9.224 9.224 8.103 1.121 19974 41 1 1 . 1 1 10 10 ALA N N 10 123.350 123.350 124.524 -1.174 19974 42 1 1 . 1 1 10 10 ALA HA H 10 4.036 4.036 4.061 -0.025 19974 43 1 1 . 1 1 10 10 ALA C C 10 181.050 181.050 180.239 0.811 19974 44 1 1 . 1 1 10 10 ALA CA C 10 55.500 55.500 54.943 0.557 19974 45 1 1 . 1 1 10 10 ALA CB C 10 17.914 17.914 18.154 -0.240 19974 46 1 1 . 1 1 10 10 ALA H H 10 8.881 8.881 8.756 0.125 19974 47 1 1 . 1 1 11 11 GLU N N 11 117.680 117.680 118.371 -0.691 19974 48 1 1 . 1 1 11 11 GLU HA H 11 3.949 3.949 4.046 -0.097 19974 49 1 1 . 1 1 11 11 GLU C C 11 179.500 179.500 179.135 0.365 19974 50 1 1 . 1 1 11 11 GLU CA C 11 59.490 59.490 59.881 -0.391 19974 51 1 1 . 1 1 11 11 GLU CB C 11 29.120 29.120 29.383 -0.263 19974 52 1 1 . 1 1 11 11 GLU H H 11 8.460 8.460 8.836 -0.376 19974 53 1 1 . 1 1 12 12 GLU N N 12 121.860 121.860 118.640 3.220 19974 54 1 1 . 1 1 12 12 GLU HA H 12 3.818 3.818 4.136 -0.318 19974 55 1 1 . 1 1 12 12 GLU C C 12 178.130 178.130 179.216 -1.086 19974 56 1 1 . 1 1 12 12 GLU CA C 12 59.210 59.210 58.957 0.253 19974 57 1 1 . 1 1 12 12 GLU CB C 12 30.800 30.800 29.509 1.291 19974 58 1 1 . 1 1 12 12 GLU H H 12 7.698 7.698 7.583 0.115 19974 59 1 1 . 1 1 13 13 GLU N N 13 118.170 118.170 120.253 -2.083 19974 60 1 1 . 1 1 13 13 GLU HA H 13 3.640 3.640 4.030 -0.390 19974 61 1 1 . 1 1 13 13 GLU C C 13 178.070 178.070 178.763 -0.693 19974 62 1 1 . 1 1 13 13 GLU CA C 13 60.539 60.539 59.371 1.168 19974 63 1 1 . 1 1 13 13 GLU CB C 13 29.130 29.130 29.554 -0.424 19974 64 1 1 . 1 1 13 13 GLU H H 13 8.493 8.493 8.551 -0.058 19974 65 1 1 . 1 1 14 14 LYS N N 14 117.980 117.980 120.060 -2.080 19974 66 1 1 . 1 1 14 14 LYS HA H 14 3.887 3.887 3.996 -0.109 19974 67 1 1 . 1 1 14 14 LYS C C 14 177.420 177.420 178.472 -1.052 19974 68 1 1 . 1 1 14 14 LYS CA C 14 59.350 59.350 59.641 -0.291 19974 69 1 1 . 1 1 14 14 LYS CB C 14 32.200 32.200 32.444 -0.244 19974 70 1 1 . 1 1 14 14 LYS H H 14 7.650 7.650 8.240 -0.590 19974 71 1 1 . 1 1 15 15 ALA N N 15 119.210 119.210 120.457 -1.247 19974 72 1 1 . 1 1 15 15 ALA HA H 15 4.098 4.098 4.140 -0.042 19974 73 1 1 . 1 1 15 15 ALA C C 15 180.550 180.550 179.456 1.094 19974 74 1 1 . 1 1 15 15 ALA CA C 15 54.600 54.600 54.681 -0.081 19974 75 1 1 . 1 1 15 15 ALA CB C 15 17.790 17.790 18.492 -0.702 19974 76 1 1 . 1 1 15 15 ALA H H 15 7.362 7.362 7.598 -0.236 19974 77 1 1 . 1 1 16 16 ILE N N 16 119.990 119.990 118.897 1.093 19974 78 1 1 . 1 1 16 16 ILE HA H 16 3.493 3.493 3.779 -0.286 19974 79 1 1 . 1 1 16 16 ILE C C 16 176.510 176.510 177.464 -0.954 19974 80 1 1 . 1 1 16 16 ILE CA C 16 65.072 65.072 63.610 1.462 19974 81 1 1 . 1 1 16 16 ILE CB C 16 37.580 37.580 38.646 -1.066 19974 82 1 1 . 1 1 16 16 ILE H H 16 7.592 7.592 7.484 0.108 19974 83 1 1 . 1 1 17 17 VAL N N 17 121.520 121.520 121.864 -0.344 19974 84 1 1 . 1 1 17 17 VAL HA H 17 3.504 3.504 3.524 -0.020 19974 85 1 1 . 1 1 17 17 VAL C C 17 178.620 178.620 178.069 0.551 19974 86 1 1 . 1 1 17 17 VAL CA C 17 67.324 67.324 66.911 0.413 19974 87 1 1 . 1 1 17 17 VAL CB C 17 31.350 31.350 31.619 -0.269 19974 88 1 1 . 1 1 17 17 VAL H H 17 8.155 8.155 8.525 -0.370 19974 89 1 1 . 1 1 18 18 ASP N N 18 120.000 120.000 119.193 0.807 19974 90 1 1 . 1 1 18 18 ASP HA H 18 4.223 4.223 4.396 -0.173 19974 91 1 1 . 1 1 18 18 ASP C C 18 177.980 177.980 177.949 0.031 19974 92 1 1 . 1 1 18 18 ASP CA C 18 57.050 57.050 57.339 -0.289 19974 93 1 1 . 1 1 18 18 ASP CB C 18 39.410 39.410 40.172 -0.763 19974 94 1 1 . 1 1 18 18 ASP H H 18 8.605 8.605 8.472 0.133 19974 95 1 1 . 1 1 19 19 ALA N N 19 122.620 122.620 121.337 1.283 19974 96 1 1 . 1 1 19 19 ALA HA H 19 4.194 4.194 4.139 0.055 19974 97 1 1 . 1 1 19 19 ALA C C 19 180.720 180.720 178.962 1.758 19974 98 1 1 . 1 1 19 19 ALA CA C 19 54.970 54.970 54.514 0.457 19974 99 1 1 . 1 1 19 19 ALA CB C 19 17.850 17.850 18.664 -0.814 19974 100 1 1 . 1 1 19 19 ALA H H 19 7.702 7.702 7.235 0.467 19974 101 1 1 . 1 1 20 20 ILE N N 20 122.620 122.620 117.793 4.827 19974 102 1 1 . 1 1 20 20 ILE HA H 20 3.309 3.309 3.711 -0.402 19974 103 1 1 . 1 1 20 20 ILE C C 20 176.740 176.740 177.888 -1.148 19974 104 1 1 . 1 1 20 20 ILE CA C 20 66.830 66.830 64.694 2.136 19974 105 1 1 . 1 1 20 20 ILE CB C 20 38.140 38.140 37.808 0.332 19974 106 1 1 . 1 1 20 20 ILE H H 20 8.234 8.234 7.412 0.822 19974 107 1 1 . 1 1 21 21 ARG N N 21 119.660 119.660 119.450 0.210 19974 108 1 1 . 1 1 21 21 ARG HA H 21 3.899 3.899 4.269 -0.370 19974 109 1 1 . 1 1 21 21 ARG C C 21 179.540 179.540 178.472 1.068 19974 110 1 1 . 1 1 21 21 ARG CA C 21 58.990 58.990 59.600 -0.610 19974 111 1 1 . 1 1 21 21 ARG CB C 21 29.020 29.020 29.967 -0.947 19974 112 1 1 . 1 1 21 21 ARG H H 21 8.212 8.212 7.618 0.594 19974 113 1 1 . 1 1 22 22 ASP N N 22 118.640 118.640 117.098 1.542 19974 114 1 1 . 1 1 22 22 ASP HA H 22 4.239 4.239 4.519 -0.280 19974 115 1 1 . 1 1 22 22 ASP C C 22 179.190 179.190 176.969 2.221 19974 116 1 1 . 1 1 22 22 ASP CA C 22 57.270 57.270 56.059 1.211 19974 117 1 1 . 1 1 22 22 ASP CB C 22 39.770 39.770 41.007 -1.236 19974 118 1 1 . 1 1 22 22 ASP H H 22 8.137 8.137 7.577 0.560 19974 119 1 1 . 1 1 23 23 ALA N N 23 126.120 126.120 123.404 2.716 19974 120 1 1 . 1 1 23 23 ALA HA H 23 4.207 4.207 4.039 0.168 19974 121 1 1 . 1 1 23 23 ALA C C 23 181.060 181.060 179.461 1.599 19974 122 1 1 . 1 1 23 23 ALA CA C 23 55.430 55.430 54.887 0.543 19974 123 1 1 . 1 1 23 23 ALA CB C 23 18.690 18.690 19.233 -0.543 19974 124 1 1 . 1 1 23 23 ALA H H 23 8.500 8.500 7.927 0.573 19974 125 1 1 . 1 1 24 24 GLU N N 24 115.460 115.460 118.375 -2.915 19974 126 1 1 . 1 1 24 24 GLU HA H 24 4.213 4.213 4.048 0.165 19974 127 1 1 . 1 1 24 24 GLU C C 24 176.390 176.390 178.059 -1.669 19974 128 1 1 . 1 1 24 24 GLU CA C 24 58.180 58.180 59.028 -0.848 19974 129 1 1 . 1 1 24 24 GLU CB C 24 28.200 28.200 29.600 -1.400 19974 130 1 1 . 1 1 24 24 GLU H H 24 8.451 8.451 7.906 0.545 19974 131 1 1 . 1 1 25 25 LYS N N 25 115.790 115.790 114.808 0.982 19974 132 1 1 . 1 1 25 25 LYS HA H 25 3.739 3.739 4.083 -0.344 19974 133 1 1 . 1 1 25 25 LYS C C 25 176.020 176.020 176.049 -0.029 19974 134 1 1 . 1 1 25 25 LYS CA C 25 56.220 56.220 56.917 -0.697 19974 135 1 1 . 1 1 25 25 LYS CB C 25 32.070 32.070 31.869 0.201 19974 136 1 1 . 1 1 25 25 LYS H H 25 7.083 7.083 7.815 -0.732 19974 137 1 1 . 1 1 26 26 ASN N N 26 115.060 115.060 116.208 -1.148 19974 138 1 1 . 1 1 26 26 ASN HA H 26 4.749 4.749 4.808 -0.059 19974 139 1 1 . 1 1 26 26 ASN C C 26 174.280 174.280 174.080 0.200 19974 140 1 1 . 1 1 26 26 ASN CA C 26 53.050 53.050 53.520 -0.470 19974 141 1 1 . 1 1 26 26 ASN CB C 26 40.410 40.410 41.345 -0.935 19974 142 1 1 . 1 1 26 26 ASN H H 26 7.931 7.931 7.954 -0.023 19974 143 1 1 . 1 1 27 27 THR N N 27 113.430 113.430 113.551 -0.121 19974 144 1 1 . 1 1 27 27 THR HA H 27 5.507 5.507 5.063 0.444 19974 145 1 1 . 1 1 27 27 THR C C 27 170.850 170.850 174.163 -3.313 19974 146 1 1 . 1 1 27 27 THR CA C 27 57.130 57.130 60.707 -3.577 19974 147 1 1 . 1 1 27 27 THR CB C 27 70.200 70.200 70.132 0.067 19974 148 1 1 . 1 1 27 27 THR H H 27 7.619 7.619 7.721 -0.102 19974 149 1 1 . 1 1 28 28 SER N N 28 119.450 119.450 124.205 -4.755 19974 150 1 1 . 1 1 28 28 SER HA H 28 4.773 4.773 4.786 -0.013 19974 151 1 1 . 1 1 28 28 SER C C 28 176.330 176.330 174.029 2.301 19974 152 1 1 . 1 1 28 28 SER CA C 28 58.913 58.913 57.911 1.002 19974 153 1 1 . 1 1 28 28 SER CB C 28 64.360 64.360 62.093 2.267 19974 154 1 1 . 1 1 28 28 SER H H 28 7.706 7.706 9.037 -1.331 19974 155 1 1 . 1 1 29 29 GLY N N 29 111.350 111.350 107.801 3.549 19974 156 1 1 . 1 1 29 29 GLY C C 29 171.210 171.210 172.756 -1.546 19974 157 1 1 . 1 1 29 29 GLY CA C 29 44.643 44.643 44.630 0.013 19974 158 1 1 . 1 1 29 29 GLY H H 29 9.011 9.011 7.662 1.349 19974 159 1 1 . 1 1 30 30 GLU N N 30 120.620 120.620 120.349 0.271 19974 160 1 1 . 1 1 30 30 GLU HA H 30 4.867 4.867 4.880 -0.013 19974 161 1 1 . 1 1 30 30 GLU C C 30 174.500 174.500 175.075 -0.575 19974 162 1 1 . 1 1 30 30 GLU CA C 30 54.320 54.320 54.705 -0.385 19974 163 1 1 . 1 1 30 30 GLU CB C 30 34.030 34.030 33.572 0.458 19974 164 1 1 . 1 1 30 30 GLU H H 30 6.897 6.897 8.508 -1.611 19974 165 1 1 . 1 1 31 31 ILE N N 31 121.650 121.650 123.020 -1.370 19974 166 1 1 . 1 1 31 31 ILE HA H 31 5.171 5.171 4.352 0.819 19974 167 1 1 . 1 1 31 31 ILE C C 31 175.550 175.550 174.678 0.872 19974 168 1 1 . 1 1 31 31 ILE CA C 31 59.740 59.740 60.382 -0.641 19974 169 1 1 . 1 1 31 31 ILE CB C 31 42.520 42.520 38.652 3.868 19974 170 1 1 . 1 1 31 31 ILE H H 31 8.546 8.546 8.516 0.030 19974 171 1 1 . 1 1 32 32 ARG N N 32 121.690 121.690 127.736 -6.046 19974 172 1 1 . 1 1 32 32 ARG HA H 32 4.951 4.951 4.710 0.241 19974 173 1 1 . 1 1 32 32 ARG C C 32 173.740 173.740 174.388 -0.648 19974 174 1 1 . 1 1 32 32 ARG CA C 32 55.220 55.220 54.039 1.181 19974 175 1 1 . 1 1 32 32 ARG CB C 32 34.720 34.720 33.963 0.757 19974 176 1 1 . 1 1 32 32 ARG H H 32 8.751 8.751 8.802 -0.051 19974 177 1 1 . 1 1 33 33 VAL N N 33 120.770 120.770 123.478 -2.708 19974 178 1 1 . 1 1 33 33 VAL HA H 33 4.972 4.972 4.453 0.519 19974 179 1 1 . 1 1 33 33 VAL C C 33 173.790 173.790 174.019 -0.229 19974 180 1 1 . 1 1 33 33 VAL CA C 33 59.700 59.700 61.451 -1.751 19974 181 1 1 . 1 1 33 33 VAL CB C 33 34.820 34.820 34.310 0.509 19974 182 1 1 . 1 1 33 33 VAL H H 33 8.617 8.617 8.644 -0.027 19974 183 1 1 . 1 1 34 34 HIS N N 34 125.000 125.000 127.495 -2.495 19974 184 1 1 . 1 1 34 34 HIS HA H 34 5.743 5.743 5.150 0.593 19974 185 1 1 . 1 1 34 34 HIS C C 34 172.790 172.790 172.966 -0.176 19974 186 1 1 . 1 1 34 34 HIS CA C 34 54.370 54.370 53.914 0.456 19974 187 1 1 . 1 1 34 34 HIS CB C 34 36.840 36.840 32.053 4.787 19974 188 1 1 . 1 1 34 34 HIS H H 34 8.552 8.552 9.138 -0.586 19974 189 1 1 . 1 1 35 35 LEU N N 35 124.400 124.400 128.811 -4.411 19974 190 1 1 . 1 1 35 35 LEU HA H 35 4.800 4.800 4.708 0.092 19974 191 1 1 . 1 1 35 35 LEU C C 35 174.490 174.490 174.101 0.389 19974 192 1 1 . 1 1 35 35 LEU CA C 35 52.190 52.190 53.845 -1.655 19974 193 1 1 . 1 1 35 35 LEU CB C 35 44.880 44.880 44.716 0.164 19974 194 1 1 . 1 1 35 35 LEU H H 35 8.006 8.006 8.541 -0.535 19974 195 1 1 . 1 1 36 36 GLU N N 36 116.112 116.112 124.936 -8.824 19974 196 1 1 . 1 1 36 36 GLU HA H 36 4.573 4.573 4.526 0.047 19974 197 1 1 . 1 1 36 36 GLU C C 36 174.350 174.350 175.388 -1.038 19974 198 1 1 . 1 1 36 36 GLU CA C 36 54.130 54.130 54.776 -0.646 19974 199 1 1 . 1 1 36 36 GLU CB C 36 31.960 31.960 33.294 -1.334 19974 200 1 1 . 1 1 36 36 GLU H H 36 8.235 8.235 8.470 -0.235 19974 201 1 1 . 1 1 37 37 LYS N N 37 121.210 121.210 120.357 0.853 19974 202 1 1 . 1 1 37 37 LYS HA H 37 3.731 3.731 4.128 -0.397 19974 203 1 1 . 1 1 37 37 LYS C C 37 175.200 175.200 176.775 -1.575 19974 204 1 1 . 1 1 37 37 LYS CA C 37 61.410 61.410 59.492 1.917 19974 205 1 1 . 1 1 37 37 LYS CB C 37 33.090 33.090 32.874 0.216 19974 206 1 1 . 1 1 37 37 LYS H H 37 9.055 9.055 8.509 0.546 19974 207 1 1 . 1 1 38 38 THR N N 38 107.310 107.310 108.732 -1.422 19974 208 1 1 . 1 1 38 38 THR HA H 38 4.448 4.448 4.563 -0.115 19974 209 1 1 . 1 1 38 38 THR C C 38 171.420 171.420 173.118 -1.698 19974 210 1 1 . 1 1 38 38 THR CA C 38 59.530 59.530 60.783 -1.253 19974 211 1 1 . 1 1 38 38 THR CB C 38 69.570 69.570 69.883 -0.313 19974 212 1 1 . 1 1 38 38 THR H H 38 7.480 7.480 7.660 -0.180 19974 213 1 1 . 1 1 39 39 SER N N 39 116.050 116.050 117.847 -1.797 19974 214 1 1 . 1 1 39 39 SER HA H 39 4.641 4.641 4.831 -0.190 19974 215 1 1 . 1 1 39 39 SER C C 39 175.590 175.590 174.267 1.323 19974 216 1 1 . 1 1 39 39 SER CA C 39 57.340 57.340 58.030 -0.690 19974 217 1 1 . 1 1 39 39 SER CB C 39 64.560 64.560 64.545 0.015 19974 218 1 1 . 1 1 39 39 SER H H 39 8.177 8.177 8.533 -0.356 19974 219 1 1 . 1 1 40 40 GLU N N 40 124.630 124.630 122.055 2.575 19974 220 1 1 . 1 1 40 40 GLU HA H 40 4.118 4.118 4.235 -0.117 19974 221 1 1 . 1 1 40 40 GLU C C 40 176.520 176.520 175.558 0.962 19974 222 1 1 . 1 1 40 40 GLU CA C 40 58.100 58.100 57.393 0.707 19974 223 1 1 . 1 1 40 40 GLU CB C 40 29.950 29.950 29.769 0.181 19974 224 1 1 . 1 1 40 40 GLU H H 40 8.905 8.905 8.755 0.150 19974 225 1 1 . 1 1 41 41 ILE N N 41 113.290 113.290 114.000 -0.710 19974 226 1 1 . 1 1 41 41 ILE HA H 41 4.460 4.460 4.294 0.166 19974 227 1 1 . 1 1 41 41 ILE C C 41 175.350 175.350 174.659 0.691 19974 228 1 1 . 1 1 41 41 ILE CA C 41 59.490 59.490 58.926 0.564 19974 229 1 1 . 1 1 41 41 ILE CB C 41 40.150 40.150 40.852 -0.702 19974 230 1 1 . 1 1 41 41 ILE H H 41 7.446 7.446 7.436 0.010 19974 231 1 1 . 1 1 42 42 ASP N N 42 122.230 122.230 122.024 0.206 19974 232 1 1 . 1 1 42 42 ASP HA H 42 4.280 4.280 4.692 -0.412 19974 233 1 1 . 1 1 42 42 ASP C C 42 177.430 177.430 177.190 0.240 19974 234 1 1 . 1 1 42 42 ASP CA C 42 55.360 55.360 54.505 0.855 19974 235 1 1 . 1 1 42 42 ASP CB C 42 42.690 42.690 41.431 1.259 19974 236 1 1 . 1 1 42 42 ASP H H 42 8.271 8.271 8.330 -0.059 19974 237 1 1 . 1 1 43 43 VAL N N 43 122.150 122.150 124.382 -2.232 19974 238 1 1 . 1 1 43 43 VAL HA H 43 3.569 3.569 3.479 0.090 19974 239 1 1 . 1 1 43 43 VAL C C 43 175.780 175.780 177.821 -2.041 19974 240 1 1 . 1 1 43 43 VAL CA C 43 65.420 65.420 65.588 -0.168 19974 241 1 1 . 1 1 43 43 VAL CB C 43 31.300 31.300 32.132 -0.832 19974 242 1 1 . 1 1 43 43 VAL H H 43 8.160 8.160 8.623 -0.463 19974 243 1 1 . 1 1 44 44 PHE N N 44 121.770 121.770 121.220 0.550 19974 244 1 1 . 1 1 44 44 PHE HA H 44 3.892 3.892 4.120 -0.228 19974 245 1 1 . 1 1 44 44 PHE C C 44 177.140 177.140 176.375 0.765 19974 246 1 1 . 1 1 44 44 PHE CA C 44 62.190 62.190 61.462 0.728 19974 247 1 1 . 1 1 44 44 PHE CB C 44 38.350 38.350 37.950 0.400 19974 248 1 1 . 1 1 44 44 PHE H H 44 8.101 8.101 8.243 -0.142 19974 249 1 1 . 1 1 45 45 ASP N N 45 119.540 119.540 118.353 1.187 19974 250 1 1 . 1 1 45 45 ASP HA H 45 4.106 4.106 3.970 0.136 19974 251 1 1 . 1 1 45 45 ASP C C 45 178.380 178.380 178.620 -0.240 19974 252 1 1 . 1 1 45 45 ASP CA C 45 57.010 57.010 57.516 -0.506 19974 253 1 1 . 1 1 45 45 ASP CB C 45 37.900 37.900 39.970 -2.070 19974 254 1 1 . 1 1 45 45 ASP H H 45 7.317 7.317 8.359 -1.042 19974 255 1 1 . 1 1 46 46 ARG N N 46 119.920 119.920 120.744 -0.824 19974 256 1 1 . 1 1 46 46 ARG HA H 46 3.733 3.733 3.824 -0.091 19974 257 1 1 . 1 1 46 46 ARG C C 46 176.750 176.750 178.021 -1.271 19974 258 1 1 . 1 1 46 46 ARG CA C 46 57.136 57.136 59.157 -2.021 19974 259 1 1 . 1 1 46 46 ARG CB C 46 28.590 28.590 30.111 -1.521 19974 260 1 1 . 1 1 46 46 ARG H H 46 8.246 8.246 7.958 0.288 19974 261 1 1 . 1 1 47 47 ALA N N 47 120.910 120.910 122.033 -1.123 19974 262 1 1 . 1 1 47 47 ALA HA H 47 3.048 3.048 3.815 -0.767 19974 263 1 1 . 1 1 47 47 ALA C C 47 177.810 177.810 178.912 -1.102 19974 264 1 1 . 1 1 47 47 ALA CA C 47 55.010 55.010 55.052 -0.042 19974 265 1 1 . 1 1 47 47 ALA CB C 47 17.400 17.400 18.225 -0.825 19974 266 1 1 . 1 1 47 47 ALA H H 47 7.803 7.803 7.965 -0.162 19974 267 1 1 . 1 1 48 48 MET N N 48 115.800 115.800 118.329 -2.529 19974 268 1 1 . 1 1 48 48 MET HA H 48 2.568 2.568 3.562 -0.994 19974 269 1 1 . 1 1 48 48 MET C C 48 177.790 177.790 177.674 0.116 19974 270 1 1 . 1 1 48 48 MET CA C 48 58.910 58.910 58.974 -0.064 19974 271 1 1 . 1 1 48 48 MET CB C 48 32.750 32.750 32.037 0.713 19974 272 1 1 . 1 1 48 48 MET H H 48 7.148 7.148 7.816 -0.668 19974 273 1 1 . 1 1 49 49 ASP N N 49 121.130 121.130 120.502 0.628 19974 274 1 1 . 1 1 49 49 ASP HA H 49 4.326 4.326 4.288 0.038 19974 275 1 1 . 1 1 49 49 ASP C C 49 178.960 178.960 179.059 -0.099 19974 276 1 1 . 1 1 49 49 ASP CA C 49 57.330 57.330 57.709 -0.379 19974 277 1 1 . 1 1 49 49 ASP CB C 49 40.180 40.180 40.598 -0.418 19974 278 1 1 . 1 1 49 49 ASP H H 49 7.656 7.656 8.100 -0.444 19974 279 1 1 . 1 1 50 50 VAL N N 50 122.030 122.030 120.201 1.829 19974 280 1 1 . 1 1 50 50 VAL HA H 50 3.150 3.150 3.587 -0.437 19974 281 1 1 . 1 1 50 50 VAL C C 50 176.610 176.610 177.908 -1.298 19974 282 1 1 . 1 1 50 50 VAL CA C 50 66.980 66.980 66.635 0.345 19974 283 1 1 . 1 1 50 50 VAL CB C 50 30.450 30.450 31.703 -1.253 19974 284 1 1 . 1 1 50 50 VAL H H 50 8.506 8.506 8.235 0.271 19974 285 1 1 . 1 1 51 51 PHE N N 51 120.010 120.010 120.854 -0.844 19974 286 1 1 . 1 1 51 51 PHE HA H 51 3.701 3.701 4.206 -0.505 19974 287 1 1 . 1 1 51 51 PHE C C 51 176.990 176.990 177.260 -0.270 19974 288 1 1 . 1 1 51 51 PHE CA C 51 61.610 61.610 61.543 0.067 19974 289 1 1 . 1 1 51 51 PHE CB C 51 39.350 39.350 39.224 0.126 19974 290 1 1 . 1 1 51 51 PHE H H 51 8.236 8.236 8.654 -0.418 19974 291 1 1 . 1 1 52 52 HIS N N 52 114.400 114.400 118.307 -3.907 19974 292 1 1 . 1 1 52 52 HIS HA H 52 4.322 4.322 4.725 -0.403 19974 293 1 1 . 1 1 52 52 HIS C C 52 179.389 179.389 178.201 1.188 19974 294 1 1 . 1 1 52 52 HIS CA C 52 59.670 59.670 59.340 0.329 19974 295 1 1 . 1 1 52 52 HIS CB C 52 28.380 28.380 30.038 -1.659 19974 296 1 1 . 1 1 52 52 HIS H H 52 7.595 7.595 8.150 -0.555 19974 297 1 1 . 1 1 53 53 ASN N N 53 125.300 125.300 118.985 6.315 19974 298 1 1 . 1 1 53 53 ASN HA H 53 4.346 4.346 4.475 -0.129 19974 299 1 1 . 1 1 53 53 ASN C C 53 177.560 177.560 177.337 0.223 19974 300 1 1 . 1 1 53 53 ASN CA C 53 56.260 56.260 55.475 0.785 19974 301 1 1 . 1 1 53 53 ASN CB C 53 38.020 38.020 38.657 -0.637 19974 302 1 1 . 1 1 53 53 ASN H H 53 9.216 9.216 8.448 0.768 19974 303 1 1 . 1 1 54 54 LEU N N 54 117.070 117.070 117.349 -0.279 19974 304 1 1 . 1 1 54 54 LEU HA H 54 4.114 4.114 4.260 -0.146 19974 305 1 1 . 1 1 54 54 LEU C C 54 175.780 175.780 176.061 -0.281 19974 306 1 1 . 1 1 54 54 LEU CA C 54 54.400 54.400 55.127 -0.727 19974 307 1 1 . 1 1 54 54 LEU CB C 54 42.810 42.810 42.070 0.740 19974 308 1 1 . 1 1 54 54 LEU H H 54 8.270 8.270 8.000 0.270 19974 309 1 1 . 1 1 55 55 LYS N N 55 116.580 116.580 116.717 -0.137 19974 310 1 1 . 1 1 55 55 LYS HA H 55 3.954 3.954 3.975 -0.021 19974 311 1 1 . 1 1 55 55 LYS C C 55 177.650 177.650 176.831 0.819 19974 312 1 1 . 1 1 55 55 LYS CA C 55 56.630 56.630 57.160 -0.530 19974 313 1 1 . 1 1 55 55 LYS CB C 55 28.110 28.110 30.754 -2.644 19974 314 1 1 . 1 1 55 55 LYS H H 55 7.953 7.953 7.550 0.403 19974 315 1 1 . 1 1 56 56 MET N N 56 114.460 114.460 116.393 -1.933 19974 316 1 1 . 1 1 56 56 MET HA H 56 3.624 3.624 4.106 -0.482 19974 317 1 1 . 1 1 56 56 MET C C 56 174.010 174.010 176.668 -2.658 19974 318 1 1 . 1 1 56 56 MET CA C 56 56.800 56.800 58.087 -1.287 19974 319 1 1 . 1 1 56 56 MET CB C 56 28.620 28.620 32.090 -3.470 19974 320 1 1 . 1 1 56 56 MET H H 56 7.496 7.496 7.744 -0.248 19974 321 1 1 . 1 1 57 57 ASP N N 57 113.610 113.610 117.861 -4.251 19974 322 1 1 . 1 1 57 57 ASP HA H 57 4.490 4.490 4.825 -0.335 19974 323 1 1 . 1 1 57 57 ASP C C 57 176.060 176.060 177.728 -1.668 19974 324 1 1 . 1 1 57 57 ASP CA C 57 53.030 53.030 55.563 -2.533 19974 325 1 1 . 1 1 57 57 ASP CB C 57 38.940 38.940 39.969 -1.029 19974 326 1 1 . 1 1 57 57 ASP H H 57 8.921 8.921 8.622 0.299 19974 327 1 1 . 1 1 58 58 ASN N N 58 119.880 119.880 118.379 1.501 19974 328 1 1 . 1 1 58 58 ASN HA H 58 4.885 4.885 4.533 0.352 19974 329 1 1 . 1 1 58 58 ASN C C 58 174.060 174.060 175.165 -1.105 19974 330 1 1 . 1 1 58 58 ASN CA C 58 52.190 52.190 52.527 -0.337 19974 331 1 1 . 1 1 58 58 ASN CB C 58 37.230 37.230 36.644 0.586 19974 332 1 1 . 1 1 58 58 ASN H H 58 7.070 7.070 7.737 -0.667 19974 333 1 1 . 1 1 59 59 THR N N 59 108.570 108.570 108.794 -0.224 19974 334 1 1 . 1 1 59 59 THR HA H 59 4.449 4.449 4.648 -0.199 19974 335 1 1 . 1 1 59 59 THR C C 59 175.810 175.810 174.857 0.953 19974 336 1 1 . 1 1 59 59 THR CA C 59 59.600 59.600 60.223 -0.623 19974 337 1 1 . 1 1 59 59 THR CB C 59 70.900 70.900 71.380 -0.480 19974 338 1 1 . 1 1 59 59 THR H H 59 7.636 7.636 7.494 0.142 19974 339 1 1 . 1 1 60 60 LYS N N 60 126.400 126.400 121.750 4.650 19974 340 1 1 . 1 1 60 60 LYS HA H 60 3.923 3.923 4.234 -0.311 19974 341 1 1 . 1 1 60 60 LYS C C 60 179.030 179.030 177.245 1.785 19974 342 1 1 . 1 1 60 60 LYS CA C 60 59.600 59.600 58.578 1.022 19974 343 1 1 . 1 1 60 60 LYS CB C 60 32.480 32.480 32.811 -0.331 19974 344 1 1 . 1 1 60 60 LYS H H 60 10.322 10.322 9.520 0.802 19974 345 1 1 . 1 1 61 61 LEU N N 61 114.780 114.780 116.574 -1.794 19974 346 1 1 . 1 1 61 61 LEU HA H 61 4.430 4.430 4.548 -0.118 19974 347 1 1 . 1 1 61 61 LEU C C 61 175.660 175.660 175.885 -0.225 19974 348 1 1 . 1 1 61 61 LEU CA C 61 52.830 52.830 54.129 -1.299 19974 349 1 1 . 1 1 61 61 LEU CB C 61 40.470 40.470 42.737 -2.267 19974 350 1 1 . 1 1 61 61 LEU H H 61 8.555 8.555 7.770 0.785 19974 351 1 1 . 1 1 62 62 GLN N N 62 116.490 116.490 114.964 1.526 19974 352 1 1 . 1 1 62 62 GLN HA H 62 3.715 3.715 4.068 -0.353 19974 353 1 1 . 1 1 62 62 GLN C C 62 175.060 175.060 174.373 0.687 19974 354 1 1 . 1 1 62 62 GLN CA C 62 56.440 56.440 56.478 -0.038 19974 355 1 1 . 1 1 62 62 GLN CB C 62 26.480 26.480 26.051 0.429 19974 356 1 1 . 1 1 62 62 GLN H H 62 7.526 7.526 8.013 -0.487 19974 357 1 1 . 1 1 63 63 ASN N N 63 114.760 114.760 113.726 1.034 19974 358 1 1 . 1 1 63 63 ASN HA H 63 4.352 4.352 4.826 -0.474 19974 359 1 1 . 1 1 63 63 ASN C C 63 173.790 173.790 174.406 -0.616 19974 360 1 1 . 1 1 63 63 ASN CA C 63 50.680 50.680 51.534 -0.854 19974 361 1 1 . 1 1 63 63 ASN CB C 63 35.110 35.110 39.182 -4.072 19974 362 1 1 . 1 1 63 63 ASN H H 63 8.243 8.243 7.781 0.462 19974 363 1 1 . 1 1 64 64 GLY N N 64 105.820 105.820 108.519 -2.699 19974 364 1 1 . 1 1 64 64 GLY C C 64 172.650 172.650 172.766 -0.116 19974 365 1 1 . 1 1 64 64 GLY CA C 64 44.136 44.136 44.216 -0.080 19974 366 1 1 . 1 1 64 64 GLY H H 64 8.618 8.618 7.894 0.724 19974 367 1 1 . 1 1 65 65 VAL N N 65 120.490 120.490 123.301 -2.811 19974 368 1 1 . 1 1 65 65 VAL HA H 65 4.814 4.814 5.056 -0.242 19974 369 1 1 . 1 1 65 65 VAL C C 65 172.610 172.610 174.469 -1.859 19974 370 1 1 . 1 1 65 65 VAL CA C 65 60.890 60.890 61.203 -0.313 19974 371 1 1 . 1 1 65 65 VAL CB C 65 35.570 35.570 35.138 0.432 19974 372 1 1 . 1 1 65 65 VAL H H 65 9.053 9.053 9.008 0.045 19974 373 1 1 . 1 1 66 66 LEU N N 66 127.740 127.740 127.667 0.073 19974 374 1 1 . 1 1 66 66 LEU HA H 66 5.097 5.097 5.327 -0.230 19974 375 1 1 . 1 1 66 66 LEU C C 66 175.120 175.120 175.054 0.066 19974 376 1 1 . 1 1 66 66 LEU CA C 66 51.870 51.870 53.378 -1.508 19974 377 1 1 . 1 1 66 66 LEU CB C 66 47.520 47.520 46.284 1.236 19974 378 1 1 . 1 1 66 66 LEU H H 66 9.245 9.245 9.388 -0.143 19974 379 1 1 . 1 1 67 67 ILE N N 67 126.030 126.030 127.967 -1.937 19974 380 1 1 . 1 1 67 67 ILE HA H 67 4.484 4.484 4.786 -0.302 19974 381 1 1 . 1 1 67 67 ILE C C 67 173.290 173.290 174.992 -1.702 19974 382 1 1 . 1 1 67 67 ILE CA C 67 61.090 61.090 60.451 0.639 19974 383 1 1 . 1 1 67 67 ILE CB C 67 37.480 37.480 38.041 -0.561 19974 384 1 1 . 1 1 67 67 ILE H H 67 8.974 8.974 9.034 -0.060 19974 385 1 1 . 1 1 68 68 TYR N N 68 129.400 129.400 130.226 -0.826 19974 386 1 1 . 1 1 68 68 TYR HA H 68 4.887 4.887 5.100 -0.213 19974 387 1 1 . 1 1 68 68 TYR C C 68 174.140 174.140 174.176 -0.036 19974 388 1 1 . 1 1 68 68 TYR CA C 68 56.990 56.990 57.747 -0.757 19974 389 1 1 . 1 1 68 68 TYR CB C 68 40.790 40.790 39.163 1.627 19974 390 1 1 . 1 1 68 68 TYR H H 68 8.999 8.999 8.444 0.555 19974 391 1 1 . 1 1 69 69 VAL N N 69 126.790 126.790 128.749 -1.959 19974 392 1 1 . 1 1 69 69 VAL HA H 69 4.401 4.401 4.635 -0.234 19974 393 1 1 . 1 1 69 69 VAL C C 69 172.350 172.350 173.672 -1.322 19974 394 1 1 . 1 1 69 69 VAL CA C 69 60.810 60.810 60.536 0.274 19974 395 1 1 . 1 1 69 69 VAL CB C 69 34.360 34.360 34.902 -0.542 19974 396 1 1 . 1 1 69 69 VAL H H 69 8.378 8.378 8.800 -0.422 19974 397 1 1 . 1 1 70 70 ALA N N 70 129.770 129.770 129.718 0.052 19974 398 1 1 . 1 1 70 70 ALA HA H 70 4.592 4.592 5.175 -0.583 19974 399 1 1 . 1 1 70 70 ALA C C 70 177.620 177.620 177.957 -0.337 19974 400 1 1 . 1 1 70 70 ALA CA C 70 49.210 49.210 49.834 -0.624 19974 401 1 1 . 1 1 70 70 ALA CB C 70 17.470 17.470 19.737 -2.267 19974 402 1 1 . 1 1 70 70 ALA H H 70 8.078 8.078 8.757 -0.679 19974 403 1 1 . 1 1 71 71 VAL N N 71 120.880 120.880 121.107 -0.227 19974 404 1 1 . 1 1 71 71 VAL HA H 71 2.847 2.847 3.677 -0.830 19974 405 1 1 . 1 1 71 71 VAL C C 71 178.310 178.310 176.888 1.422 19974 406 1 1 . 1 1 71 71 VAL CA C 71 66.030 66.030 64.798 1.232 19974 407 1 1 . 1 1 71 71 VAL CB C 71 32.110 32.110 31.448 0.662 19974 408 1 1 . 1 1 71 71 VAL H H 71 8.597 8.597 8.421 0.176 19974 409 1 1 . 1 1 72 72 GLU N N 72 119.350 119.350 120.315 -0.965 19974 410 1 1 . 1 1 72 72 GLU HA H 72 3.955 3.955 4.300 -0.345 19974 411 1 1 . 1 1 72 72 GLU C C 72 177.650 177.650 178.075 -0.425 19974 412 1 1 . 1 1 72 72 GLU CA C 72 59.260 59.260 58.672 0.588 19974 413 1 1 . 1 1 72 72 GLU CB C 72 28.940 28.940 29.529 -0.589 19974 414 1 1 . 1 1 72 72 GLU H H 72 9.107 9.107 7.934 1.173 19974 415 1 1 . 1 1 73 73 ASP N N 73 115.250 115.250 117.342 -2.092 19974 416 1 1 . 1 1 73 73 ASP HA H 73 4.544 4.544 4.716 -0.172 19974 417 1 1 . 1 1 73 73 ASP C C 73 175.460 175.460 176.267 -0.807 19974 418 1 1 . 1 1 73 73 ASP CA C 73 54.030 54.030 54.195 -0.165 19974 419 1 1 . 1 1 73 73 ASP CB C 73 41.350 41.350 41.205 0.145 19974 420 1 1 . 1 1 73 73 ASP H H 73 7.039 7.039 8.099 -1.060 19974 421 1 1 . 1 1 74 74 LYS N N 74 115.850 115.850 116.499 -0.649 19974 422 1 1 . 1 1 74 74 LYS HA H 74 3.502 3.502 3.993 -0.491 19974 423 1 1 . 1 1 74 74 LYS C C 74 174.920 174.920 175.705 -0.785 19974 424 1 1 . 1 1 74 74 LYS CA C 74 57.180 57.180 57.595 -0.415 19974 425 1 1 . 1 1 74 74 LYS CB C 74 29.100 29.100 31.247 -2.147 19974 426 1 1 . 1 1 74 74 LYS H H 74 8.012 8.012 8.134 -0.122 19974 427 1 1 . 1 1 75 75 THR N N 75 111.710 111.710 109.102 2.608 19974 428 1 1 . 1 1 75 75 THR HA H 75 4.725 4.725 4.776 -0.051 19974 429 1 1 . 1 1 75 75 THR C C 75 172.150 172.150 173.003 -0.853 19974 430 1 1 . 1 1 75 75 THR CA C 75 60.740 60.740 60.353 0.387 19974 431 1 1 . 1 1 75 75 THR CB C 75 70.900 70.900 70.933 -0.033 19974 432 1 1 . 1 1 75 75 THR H H 75 7.763 7.763 7.616 0.147 19974 433 1 1 . 1 1 76 76 PHE N N 76 117.220 117.220 117.585 -0.365 19974 434 1 1 . 1 1 76 76 PHE HA H 76 5.968 5.968 5.591 0.377 19974 435 1 1 . 1 1 76 76 PHE C C 76 173.250 173.250 173.535 -0.285 19974 436 1 1 . 1 1 76 76 PHE CA C 76 54.920 54.920 55.606 -0.687 19974 437 1 1 . 1 1 76 76 PHE CB C 76 42.780 42.780 41.435 1.345 19974 438 1 1 . 1 1 76 76 PHE H H 76 7.992 7.992 8.132 -0.140 19974 439 1 1 . 1 1 77 77 VAL N N 77 120.030 120.030 121.923 -1.893 19974 440 1 1 . 1 1 77 77 VAL HA H 77 4.015 4.015 4.479 -0.464 19974 441 1 1 . 1 1 77 77 VAL C C 77 173.310 173.310 174.597 -1.287 19974 442 1 1 . 1 1 77 77 VAL CA C 77 60.840 60.840 60.752 0.088 19974 443 1 1 . 1 1 77 77 VAL CB C 77 37.410 37.410 35.656 1.754 19974 444 1 1 . 1 1 77 77 VAL H H 77 9.447 9.447 9.147 0.300 19974 445 1 1 . 1 1 78 78 ILE N N 78 125.240 125.240 122.845 2.395 19974 446 1 1 . 1 1 78 78 ILE HA H 78 4.433 4.433 4.902 -0.469 19974 447 1 1 . 1 1 78 78 ILE C C 78 174.090 174.090 175.078 -0.988 19974 448 1 1 . 1 1 78 78 ILE CA C 78 60.081 60.081 60.529 -0.448 19974 449 1 1 . 1 1 78 78 ILE CB C 78 38.340 38.340 40.237 -1.897 19974 450 1 1 . 1 1 78 78 ILE H H 78 8.155 8.155 8.333 -0.178 19974 451 1 1 . 1 1 79 79 TYR N N 79 130.130 130.130 128.365 1.765 19974 452 1 1 . 1 1 79 79 TYR HA H 79 4.422 4.422 5.019 -0.597 19974 453 1 1 . 1 1 79 79 TYR C C 79 172.740 172.740 173.679 -0.939 19974 454 1 1 . 1 1 79 79 TYR CA C 79 57.390 57.390 57.350 0.040 19974 455 1 1 . 1 1 79 79 TYR CB C 79 40.820 40.820 42.479 -1.659 19974 456 1 1 . 1 1 79 79 TYR H H 79 9.328 9.328 9.334 -0.006 19974 457 1 1 . 1 1 80 80 GLY N N 80 114.140 114.140 113.990 0.150 19974 458 1 1 . 1 1 80 80 GLY C C 80 171.090 171.090 172.825 -1.735 19974 459 1 1 . 1 1 80 80 GLY CA C 80 42.860 42.860 43.410 -0.550 19974 460 1 1 . 1 1 80 80 GLY H H 80 7.837 7.837 8.230 -0.393 19974 461 1 1 . 1 1 81 81 ASP N N 81 115.660 115.660 122.007 -6.347 19974 462 1 1 . 1 1 81 81 ASP HA H 81 4.248 4.248 4.261 -0.013 19974 463 1 1 . 1 1 81 81 ASP C C 81 176.980 176.980 177.412 -0.432 19974 464 1 1 . 1 1 81 81 ASP CA C 81 51.950 51.950 53.251 -1.301 19974 465 1 1 . 1 1 81 81 ASP CB C 81 41.260 41.260 43.362 -2.102 19974 466 1 1 . 1 1 81 81 ASP H H 81 7.633 7.633 8.439 -0.806 19974 467 1 1 . 1 1 82 82 LYS N N 82 120.470 120.470 123.256 -2.786 19974 468 1 1 . 1 1 82 82 LYS HA H 82 3.764 3.764 3.880 -0.116 19974 469 1 1 . 1 1 82 82 LYS C C 82 176.350 176.350 178.389 -2.039 19974 470 1 1 . 1 1 82 82 LYS CA C 82 59.290 59.290 59.679 -0.389 19974 471 1 1 . 1 1 82 82 LYS CB C 82 33.720 33.720 32.467 1.253 19974 472 1 1 . 1 1 82 82 LYS H H 82 9.212 9.212 8.796 0.416 19974 473 1 1 . 1 1 83 83 GLY N N 83 105.260 105.260 105.581 -0.321 19974 474 1 1 . 1 1 83 83 GLY C C 83 176.540 176.540 175.402 1.138 19974 475 1 1 . 1 1 83 83 GLY CA C 83 46.260 46.260 46.642 -0.382 19974 476 1 1 . 1 1 83 83 GLY H H 83 8.367 8.367 8.184 0.183 19974 477 1 1 . 1 1 84 84 ILE N N 84 117.510 117.510 121.080 -3.570 19974 478 1 1 . 1 1 84 84 ILE HA H 84 3.644 3.644 3.874 -0.230 19974 479 1 1 . 1 1 84 84 ILE C C 84 177.010 177.010 177.493 -0.483 19974 480 1 1 . 1 1 84 84 ILE CA C 84 63.636 63.636 64.735 -1.099 19974 481 1 1 . 1 1 84 84 ILE CB C 84 38.820 38.820 38.378 0.442 19974 482 1 1 . 1 1 84 84 ILE H H 84 7.040 7.040 7.471 -0.431 19974 483 1 1 . 1 1 85 85 ASN N N 85 117.400 117.400 118.567 -1.167 19974 484 1 1 . 1 1 85 85 ASN HA H 85 4.115 4.115 4.275 -0.160 19974 485 1 1 . 1 1 85 85 ASN C C 85 176.600 176.600 177.145 -0.545 19974 486 1 1 . 1 1 85 85 ASN CA C 85 55.840 55.840 55.806 0.034 19974 487 1 1 . 1 1 85 85 ASN CB C 85 37.720 37.720 37.856 -0.136 19974 488 1 1 . 1 1 85 85 ASN H H 85 7.351 7.351 7.780 -0.429 19974 489 1 1 . 1 1 86 86 ASP N N 86 115.890 115.890 117.903 -2.013 19974 490 1 1 . 1 1 86 86 ASP HA H 86 4.391 4.391 4.639 -0.248 19974 491 1 1 . 1 1 86 86 ASP C C 86 177.240 177.240 177.200 0.040 19974 492 1 1 . 1 1 86 86 ASP CA C 86 56.260 56.260 55.912 0.348 19974 493 1 1 . 1 1 86 86 ASP CB C 86 41.200 41.200 41.047 0.153 19974 494 1 1 . 1 1 86 86 ASP H H 86 8.377 8.377 8.315 0.062 19974 495 1 1 . 1 1 87 87 VAL N N 87 109.640 109.640 118.079 -8.439 19974 496 1 1 . 1 1 87 87 VAL HA H 87 4.473 4.473 4.198 0.275 19974 497 1 1 . 1 1 87 87 VAL C C 87 175.780 175.780 175.411 0.369 19974 498 1 1 . 1 1 87 87 VAL CA C 87 61.320 61.320 62.702 -1.381 19974 499 1 1 . 1 1 87 87 VAL CB C 87 34.170 34.170 33.570 0.600 19974 500 1 1 . 1 1 87 87 VAL H H 87 7.196 7.196 7.465 -0.269 19974 501 1 1 . 1 1 88 88 VAL N N 88 113.200 113.200 113.325 -0.125 19974 502 1 1 . 1 1 88 88 VAL HA H 88 3.789 3.789 4.252 -0.463 19974 503 1 1 . 1 1 88 88 VAL C C 88 175.760 175.760 174.018 1.742 19974 504 1 1 . 1 1 88 88 VAL CA C 88 60.640 60.640 59.484 1.156 19974 505 1 1 . 1 1 88 88 VAL CB C 88 32.970 32.970 33.681 -0.710 19974 506 1 1 . 1 1 88 88 VAL H H 88 6.921 6.921 7.718 -0.797 19974 507 1 1 . 1 1 89 89 SER N N 89 114.460 114.460 112.791 1.669 19974 508 1 1 . 1 1 89 89 SER HA H 89 4.546 4.546 4.767 -0.221 19974 509 1 1 . 1 1 89 89 SER C C 89 175.720 175.720 174.841 0.879 19974 510 1 1 . 1 1 89 89 SER CA C 89 57.330 57.330 56.697 0.633 19974 511 1 1 . 1 1 89 89 SER CB C 89 64.500 64.500 66.440 -1.940 19974 512 1 1 . 1 1 89 89 SER H H 89 7.738 7.738 8.041 -0.303 19974 513 1 1 . 1 1 90 90 ASP N N 90 120.250 120.250 120.949 -0.699 19974 514 1 1 . 1 1 90 90 ASP HA H 90 4.361 4.361 4.483 -0.122 19974 515 1 1 . 1 1 90 90 ASP C C 90 176.630 176.630 178.153 -1.523 19974 516 1 1 . 1 1 90 90 ASP CA C 90 57.050 57.050 56.799 0.251 19974 517 1 1 . 1 1 90 90 ASP CB C 90 40.540 40.540 40.805 -0.265 19974 518 1 1 . 1 1 90 90 ASP H H 90 8.687 8.687 8.853 -0.166 19974 519 1 1 . 1 1 91 91 ASP N N 91 116.800 116.800 118.813 -2.013 19974 520 1 1 . 1 1 91 91 ASP HA H 91 4.605 4.605 4.462 0.143 19974 521 1 1 . 1 1 91 91 ASP C C 91 177.610 177.610 178.323 -0.713 19974 522 1 1 . 1 1 91 91 ASP CA C 91 52.890 52.890 56.916 -4.026 19974 523 1 1 . 1 1 91 91 ASP CB C 91 40.230 40.230 40.617 -0.387 19974 524 1 1 . 1 1 91 91 ASP H H 91 8.250 8.250 8.596 -0.346 19974 525 1 1 . 1 1 92 92 PHE N N 92 122.130 122.130 121.813 0.317 19974 526 1 1 . 1 1 92 92 PHE HA H 92 3.857 3.857 4.296 -0.439 19974 527 1 1 . 1 1 92 92 PHE C C 92 177.040 177.040 177.164 -0.124 19974 528 1 1 . 1 1 92 92 PHE CA C 92 61.910 61.910 61.383 0.527 19974 529 1 1 . 1 1 92 92 PHE CB C 92 40.696 40.696 39.267 1.429 19974 530 1 1 . 1 1 92 92 PHE H H 92 7.564 7.564 7.568 -0.004 19974 531 1 1 . 1 1 93 93 TRP N N 93 113.980 113.980 119.234 -5.254 19974 532 1 1 . 1 1 93 93 TRP HA H 93 4.726 4.726 4.481 0.245 19974 533 1 1 . 1 1 93 93 TRP C C 93 176.420 176.420 178.369 -1.949 19974 534 1 1 . 1 1 93 93 TRP CA C 93 56.020 56.020 60.532 -4.512 19974 535 1 1 . 1 1 93 93 TRP CB C 93 29.990 29.990 28.858 1.133 19974 536 1 1 . 1 1 93 93 TRP H H 93 8.532 8.532 8.449 0.083 19974 537 1 1 . 1 1 94 94 ASP N N 94 122.120 122.120 119.688 2.432 19974 538 1 1 . 1 1 94 94 ASP HA H 94 4.228 4.228 4.372 -0.144 19974 539 1 1 . 1 1 94 94 ASP C C 94 178.550 178.550 178.023 0.527 19974 540 1 1 . 1 1 94 94 ASP CA C 94 59.120 59.120 57.869 1.251 19974 541 1 1 . 1 1 94 94 ASP CB C 94 39.140 39.140 40.805 -1.665 19974 542 1 1 . 1 1 94 94 ASP H H 94 7.904 7.904 8.639 -0.735 19974 543 1 1 . 1 1 95 95 THR N N 95 111.200 111.200 111.705 -0.505 19974 544 1 1 . 1 1 95 95 THR HA H 95 4.004 4.004 3.938 0.066 19974 545 1 1 . 1 1 95 95 THR C C 95 177.630 177.630 176.689 0.941 19974 546 1 1 . 1 1 95 95 THR CA C 95 65.560 65.560 66.087 -0.527 19974 547 1 1 . 1 1 95 95 THR CB C 95 68.230 68.230 68.532 -0.302 19974 548 1 1 . 1 1 95 95 THR H H 95 8.559 8.559 7.516 1.043 19974 549 1 1 . 1 1 96 96 THR N N 96 123.230 123.230 118.717 4.513 19974 550 1 1 . 1 1 96 96 THR HA H 96 3.725 3.725 3.838 -0.113 19974 551 1 1 . 1 1 96 96 THR C C 96 175.410 175.410 176.616 -1.206 19974 552 1 1 . 1 1 96 96 THR CA C 96 68.286 68.286 66.909 1.377 19974 553 1 1 . 1 1 96 96 THR CB C 96 68.200 68.200 68.478 -0.278 19974 554 1 1 . 1 1 96 96 THR H H 96 7.991 7.991 7.498 0.493 19974 555 1 1 . 1 1 97 97 ARG N N 97 119.960 119.960 121.096 -1.136 19974 556 1 1 . 1 1 97 97 ARG HA H 97 3.829 3.829 4.045 -0.216 19974 557 1 1 . 1 1 97 97 ARG C C 97 178.320 178.320 178.799 -0.479 19974 558 1 1 . 1 1 97 97 ARG CA C 97 60.390 60.390 60.083 0.307 19974 559 1 1 . 1 1 97 97 ARG CB C 97 29.870 29.870 30.247 -0.377 19974 560 1 1 . 1 1 97 97 ARG H H 97 8.825 8.825 8.053 0.772 19974 561 1 1 . 1 1 98 98 ASN N N 98 115.680 115.680 117.845 -2.165 19974 562 1 1 . 1 1 98 98 ASN HA H 98 4.390 4.390 4.479 -0.089 19974 563 1 1 . 1 1 98 98 ASN C C 98 176.620 176.620 177.299 -0.679 19974 564 1 1 . 1 1 98 98 ASN CA C 98 56.050 56.050 56.168 -0.118 19974 565 1 1 . 1 1 98 98 ASN CB C 98 38.220 38.220 38.121 0.099 19974 566 1 1 . 1 1 98 98 ASN H H 98 8.508 8.508 8.383 0.125 19974 567 1 1 . 1 1 99 99 ALA N N 99 120.830 120.830 123.300 -2.470 19974 568 1 1 . 1 1 99 99 ALA HA H 99 4.020 4.020 4.034 -0.014 19974 569 1 1 . 1 1 99 99 ALA C C 99 179.800 179.800 179.870 -0.070 19974 570 1 1 . 1 1 99 99 ALA CA C 99 54.770 54.770 55.045 -0.275 19974 571 1 1 . 1 1 99 99 ALA CB C 99 18.110 18.110 18.413 -0.303 19974 572 1 1 . 1 1 99 99 ALA H H 99 7.447 7.447 7.989 -0.542 19974 573 1 1 . 1 1 100 100 ILE N N 100 116.240 116.240 119.081 -2.841 19974 574 1 1 . 1 1 100 100 ILE HA H 100 3.203 3.203 3.704 -0.501 19974 575 1 1 . 1 1 100 100 ILE C C 100 178.050 178.050 177.701 0.349 19974 576 1 1 . 1 1 100 100 ILE CA C 100 64.550 64.550 65.040 -0.490 19974 577 1 1 . 1 1 100 100 ILE CB C 100 37.640 37.640 37.500 0.140 19974 578 1 1 . 1 1 100 100 ILE H H 100 7.339 7.339 7.567 -0.228 19974 579 1 1 . 1 1 101 101 GLN N N 101 118.750 118.750 120.191 -1.441 19974 580 1 1 . 1 1 101 101 GLN HA H 101 3.917 3.917 3.803 0.114 19974 581 1 1 . 1 1 101 101 GLN C C 101 177.870 177.870 178.406 -0.536 19974 582 1 1 . 1 1 101 101 GLN CA C 101 59.200 59.200 59.483 -0.283 19974 583 1 1 . 1 1 101 101 GLN CB C 101 28.860 28.860 28.943 -0.083 19974 584 1 1 . 1 1 101 101 GLN H H 101 8.359 8.359 8.356 0.003 19974 585 1 1 . 1 1 102 102 LEU N N 102 117.790 117.790 119.048 -1.258 19974 586 1 1 . 1 1 102 102 LEU HA H 102 3.951 3.951 4.133 -0.182 19974 587 1 1 . 1 1 102 102 LEU C C 102 179.550 179.550 179.047 0.503 19974 588 1 1 . 1 1 102 102 LEU CA C 102 58.190 58.190 57.983 0.207 19974 589 1 1 . 1 1 102 102 LEU CB C 102 42.320 42.320 41.860 0.460 19974 590 1 1 . 1 1 102 102 LEU H H 102 8.119 8.119 8.143 -0.024 19974 591 1 1 . 1 1 103 103 GLN N N 103 113.650 113.650 118.381 -4.731 19974 592 1 1 . 1 1 103 103 GLN HA H 103 4.426 4.426 4.137 0.289 19974 593 1 1 . 1 1 103 103 GLN C C 103 179.680 179.680 178.778 0.902 19974 594 1 1 . 1 1 103 103 GLN CA C 103 56.550 56.550 58.219 -1.669 19974 595 1 1 . 1 1 103 103 GLN CB C 103 27.480 27.480 28.810 -1.330 19974 596 1 1 . 1 1 103 103 GLN H H 103 6.636 6.636 7.543 -0.907 19974 597 1 1 . 1 1 104 104 PHE N N 104 123.740 123.740 121.249 2.491 19974 598 1 1 . 1 1 104 104 PHE HA H 104 3.895 3.895 4.329 -0.434 19974 599 1 1 . 1 1 104 104 PHE C C 104 180.130 180.130 177.754 2.376 19974 600 1 1 . 1 1 104 104 PHE CA C 104 59.760 59.760 62.019 -2.259 19974 601 1 1 . 1 1 104 104 PHE CB C 104 36.620 36.620 38.944 -2.324 19974 602 1 1 . 1 1 104 104 PHE H H 104 9.161 9.161 8.905 0.256 19974 603 1 1 . 1 1 105 105 LYS N N 105 119.280 119.280 118.942 0.338 19974 604 1 1 . 1 1 105 105 LYS HA H 105 4.126 4.126 4.120 0.006 19974 605 1 1 . 1 1 105 105 LYS C C 105 177.290 177.290 177.919 -0.629 19974 606 1 1 . 1 1 105 105 LYS CA C 105 58.913 58.913 58.784 0.129 19974 607 1 1 . 1 1 105 105 LYS CB C 105 31.920 31.920 32.435 -0.515 19974 608 1 1 . 1 1 105 105 LYS H H 105 8.519 8.519 8.296 0.223 19974 609 1 1 . 1 1 106 106 GLN N N 106 114.530 114.530 115.209 -0.679 19974 610 1 1 . 1 1 106 106 GLN HA H 106 4.415 4.415 4.217 0.198 19974 611 1 1 . 1 1 106 106 GLN C C 106 175.450 175.450 176.728 -1.278 19974 612 1 1 . 1 1 106 106 GLN CA C 106 54.850 54.850 56.736 -1.886 19974 613 1 1 . 1 1 106 106 GLN CB C 106 30.010 30.010 29.446 0.564 19974 614 1 1 . 1 1 106 106 GLN H H 106 6.934 6.934 7.379 -0.445 19974 615 1 1 . 1 1 107 107 GLY N N 107 106.800 106.800 106.458 0.342 19974 616 1 1 . 1 1 107 107 GLY C C 107 173.140 173.140 173.406 -0.266 19974 617 1 1 . 1 1 107 107 GLY CA C 107 44.930 44.930 44.392 0.538 19974 618 1 1 . 1 1 107 107 GLY H H 107 7.722 7.722 8.196 -0.474 19974 619 1 1 . 1 1 108 108 ASN N N 108 120.230 120.230 120.507 -0.277 19974 620 1 1 . 1 1 108 108 ASN HA H 108 4.827 4.827 4.784 0.043 19974 621 1 1 . 1 1 108 108 ASN C C 108 174.820 174.820 175.675 -0.855 19974 622 1 1 . 1 1 108 108 ASN CA C 108 50.520 50.520 50.073 0.447 19974 623 1 1 . 1 1 108 108 ASN CB C 108 37.090 37.090 38.146 -1.056 19974 624 1 1 . 1 1 108 108 ASN H H 108 7.654 7.654 7.740 -0.086 19974 625 1 1 . 1 1 109 109 PHE N N 109 122.130 122.130 123.312 -1.182 19974 626 1 1 . 1 1 109 109 PHE HA H 109 4.038 4.038 3.155 0.882 19974 627 1 1 . 1 1 109 109 PHE C C 109 177.270 177.270 177.465 -0.195 19974 628 1 1 . 1 1 109 109 PHE CA C 109 60.670 60.670 59.834 0.836 19974 629 1 1 . 1 1 109 109 PHE CB C 109 38.220 38.220 37.985 0.235 19974 630 1 1 . 1 1 109 109 PHE H H 109 7.231 7.231 7.345 -0.114 19974 631 1 1 . 1 1 110 110 LYS N N 110 118.670 118.670 120.197 -1.527 19974 632 1 1 . 1 1 110 110 LYS HA H 110 3.610 3.610 3.882 -0.272 19974 633 1 1 . 1 1 110 110 LYS C C 110 177.680 177.680 178.659 -0.979 19974 634 1 1 . 1 1 110 110 LYS CA C 110 60.050 60.050 60.208 -0.158 19974 635 1 1 . 1 1 110 110 LYS CB C 110 29.680 29.680 31.633 -1.953 19974 636 1 1 . 1 1 110 110 LYS H H 110 8.727 8.727 8.488 0.239 19974 637 1 1 . 1 1 111 111 GLN N N 111 117.980 117.980 118.355 -0.375 19974 638 1 1 . 1 1 111 111 GLN HA H 111 3.491 3.491 4.026 -0.535 19974 639 1 1 . 1 1 111 111 GLN C C 111 177.640 177.640 178.714 -1.074 19974 640 1 1 . 1 1 111 111 GLN CA C 111 57.530 57.530 58.703 -1.173 19974 641 1 1 . 1 1 111 111 GLN CB C 111 28.460 28.460 28.248 0.212 19974 642 1 1 . 1 1 111 111 GLN H H 111 8.442 8.442 8.412 0.030 19974 643 1 1 . 1 1 112 112 GLY N N 112 103.740 103.740 107.797 -4.057 19974 644 1 1 . 1 1 112 112 GLY C C 112 173.970 173.970 176.338 -2.368 19974 645 1 1 . 1 1 112 112 GLY CA C 112 48.730 48.730 47.033 1.697 19974 646 1 1 . 1 1 112 112 GLY H H 112 8.196 8.196 8.164 0.032 19974 647 1 1 . 1 1 113 113 LEU N N 113 119.640 119.640 122.973 -3.333 19974 648 1 1 . 1 1 113 113 LEU HA H 113 3.868 3.868 4.024 -0.156 19974 649 1 1 . 1 1 113 113 LEU C C 113 177.480 177.480 178.864 -1.384 19974 650 1 1 . 1 1 113 113 LEU CA C 113 58.150 58.150 57.719 0.431 19974 651 1 1 . 1 1 113 113 LEU CB C 113 41.920 41.920 42.004 -0.084 19974 652 1 1 . 1 1 113 113 LEU H H 113 7.614 7.614 8.042 -0.428 19974 653 1 1 . 1 1 114 114 VAL N N 114 118.510 118.510 120.765 -2.255 19974 654 1 1 . 1 1 114 114 VAL HA H 114 3.269 3.269 3.488 -0.219 19974 655 1 1 . 1 1 114 114 VAL C C 114 177.330 177.330 178.147 -0.817 19974 656 1 1 . 1 1 114 114 VAL CA C 114 67.787 67.787 67.345 0.442 19974 657 1 1 . 1 1 114 114 VAL CB C 114 31.600 31.600 31.554 0.046 19974 658 1 1 . 1 1 114 114 VAL H H 114 8.284 8.284 8.654 -0.370 19974 659 1 1 . 1 1 115 115 ASP N N 115 119.440 119.440 119.291 0.149 19974 660 1 1 . 1 1 115 115 ASP HA H 115 4.261 4.261 4.456 -0.195 19974 661 1 1 . 1 1 115 115 ASP C C 115 179.840 179.840 178.759 1.081 19974 662 1 1 . 1 1 115 115 ASP CA C 115 56.950 56.950 57.200 -0.250 19974 663 1 1 . 1 1 115 115 ASP CB C 115 39.840 39.840 40.269 -0.429 19974 664 1 1 . 1 1 115 115 ASP H H 115 8.724 8.724 8.663 0.061 19974 665 1 1 . 1 1 116 116 GLY N N 116 107.280 107.280 108.799 -1.519 19974 666 1 1 . 1 1 116 116 GLY C C 116 174.130 174.130 176.194 -2.064 19974 667 1 1 . 1 1 116 116 GLY CA C 116 47.190 47.190 46.971 0.219 19974 668 1 1 . 1 1 116 116 GLY H H 116 8.370 8.370 7.838 0.532 19974 669 1 1 . 1 1 117 117 ILE N N 117 123.350 123.350 122.465 0.885 19974 670 1 1 . 1 1 117 117 ILE HA H 117 3.307 3.307 3.572 -0.265 19974 671 1 1 . 1 1 117 117 ILE C C 117 176.750 176.750 177.426 -0.676 19974 672 1 1 . 1 1 117 117 ILE CA C 117 66.168 66.168 65.581 0.587 19974 673 1 1 . 1 1 117 117 ILE CB C 117 37.760 37.760 37.870 -0.110 19974 674 1 1 . 1 1 117 117 ILE H H 117 8.573 8.573 8.504 0.069 19974 675 1 1 . 1 1 118 118 GLU N N 118 119.220 119.220 120.911 -1.691 19974 676 1 1 . 1 1 118 118 GLU HA H 118 4.003 4.003 3.852 0.151 19974 677 1 1 . 1 1 118 118 GLU C C 118 180.600 180.600 178.798 1.802 19974 678 1 1 . 1 1 118 118 GLU CA C 118 59.472 59.472 60.010 -0.537 19974 679 1 1 . 1 1 118 118 GLU CB C 118 29.310 29.310 29.562 -0.252 19974 680 1 1 . 1 1 118 118 GLU H H 118 7.998 7.998 8.171 -0.173 19974 681 1 1 . 1 1 119 119 LYS N N 119 118.270 118.270 118.847 -0.577 19974 682 1 1 . 1 1 119 119 LYS HA H 119 3.897 3.897 4.019 -0.122 19974 683 1 1 . 1 1 119 119 LYS C C 119 179.040 179.040 179.064 -0.024 19974 684 1 1 . 1 1 119 119 LYS CA C 119 58.090 58.090 59.383 -1.292 19974 685 1 1 . 1 1 119 119 LYS CB C 119 31.340 31.340 32.330 -0.990 19974 686 1 1 . 1 1 119 119 LYS H H 119 7.846 7.846 8.095 -0.249 19974 687 1 1 . 1 1 120 120 ALA N N 120 125.280 125.280 122.337 2.943 19974 688 1 1 . 1 1 120 120 ALA HA H 120 4.195 4.195 3.952 0.243 19974 689 1 1 . 1 1 120 120 ALA C C 120 180.230 180.230 179.438 0.792 19974 690 1 1 . 1 1 120 120 ALA CA C 120 55.040 55.040 55.053 -0.013 19974 691 1 1 . 1 1 120 120 ALA CB C 120 17.380 17.380 18.293 -0.912 19974 692 1 1 . 1 1 120 120 ALA H H 120 9.092 9.092 8.110 0.982 19974 693 1 1 . 1 1 121 121 GLY N N 121 104.130 104.130 106.704 -2.574 19974 694 1 1 . 1 1 121 121 GLY C C 121 174.930 174.930 176.383 -1.453 19974 695 1 1 . 1 1 121 121 GLY CA C 121 47.590 47.590 47.172 0.418 19974 696 1 1 . 1 1 121 121 GLY H H 121 8.606 8.606 8.486 0.120 19974 697 1 1 . 1 1 122 122 MET N N 122 117.000 117.000 120.471 -3.471 19974 698 1 1 . 1 1 122 122 MET HA H 122 4.183 4.183 4.133 0.050 19974 699 1 1 . 1 1 122 122 MET C C 122 178.500 178.500 178.115 0.385 19974 700 1 1 . 1 1 122 122 MET CA C 122 57.470 57.470 58.938 -1.468 19974 701 1 1 . 1 1 122 122 MET CB C 122 32.200 32.200 32.688 -0.488 19974 702 1 1 . 1 1 122 122 MET H H 122 7.284 7.284 8.064 -0.780 19974 703 1 1 . 1 1 123 123 ALA N N 123 124.060 124.060 121.251 2.809 19974 704 1 1 . 1 1 123 123 ALA HA H 123 4.076 4.076 4.332 -0.256 19974 705 1 1 . 1 1 123 123 ALA C C 123 180.880 180.880 180.466 0.414 19974 706 1 1 . 1 1 123 123 ALA CA C 123 54.760 54.760 54.668 0.092 19974 707 1 1 . 1 1 123 123 ALA CB C 123 17.590 17.590 18.614 -1.024 19974 708 1 1 . 1 1 123 123 ALA H H 123 8.308 8.308 7.730 0.578 19974 709 1 1 . 1 1 124 124 LEU N N 124 117.060 117.060 120.420 -3.360 19974 710 1 1 . 1 1 124 124 LEU HA H 124 4.270 4.270 4.314 -0.044 19974 711 1 1 . 1 1 124 124 LEU C C 124 179.170 179.170 179.099 0.071 19974 712 1 1 . 1 1 124 124 LEU CA C 124 57.840 57.840 57.917 -0.077 19974 713 1 1 . 1 1 124 124 LEU CB C 124 42.920 42.920 41.869 1.051 19974 714 1 1 . 1 1 124 124 LEU H H 124 8.871 8.871 8.833 0.038 19974 715 1 1 . 1 1 125 125 ALA N N 125 120.950 120.950 120.465 0.485 19974 716 1 1 . 1 1 125 125 ALA HA H 125 3.956 3.956 4.452 -0.496 19974 717 1 1 . 1 1 125 125 ALA C C 125 177.740 177.740 179.074 -1.334 19974 718 1 1 . 1 1 125 125 ALA CA C 125 55.220 55.220 54.638 0.582 19974 719 1 1 . 1 1 125 125 ALA CB C 125 19.180 19.180 18.323 0.857 19974 720 1 1 . 1 1 125 125 ALA H H 125 7.829 7.829 8.496 -0.667 19974 721 1 1 . 1 1 126 126 LYS N N 126 113.320 113.320 118.431 -5.111 19974 722 1 1 . 1 1 126 126 LYS HA H 126 3.798 3.798 4.096 -0.298 19974 723 1 1 . 1 1 126 126 LYS C C 126 176.550 176.550 178.077 -1.527 19974 724 1 1 . 1 1 126 126 LYS CA C 126 58.490 58.490 58.796 -0.306 19974 725 1 1 . 1 1 126 126 LYS CB C 126 32.620 32.620 32.697 -0.077 19974 726 1 1 . 1 1 126 126 LYS H H 126 6.971 6.971 7.752 -0.781 19974 727 1 1 . 1 1 127 127 TYR N N 127 113.850 113.850 115.430 -1.580 19974 728 1 1 . 1 1 127 127 TYR HA H 127 4.067 4.067 4.217 -0.150 19974 729 1 1 . 1 1 127 127 TYR C C 127 174.390 174.390 175.464 -1.074 19974 730 1 1 . 1 1 127 127 TYR CA C 127 58.770 58.770 60.179 -1.409 19974 731 1 1 . 1 1 127 127 TYR CB C 127 41.930 41.930 39.849 2.081 19974 732 1 1 . 1 1 127 127 TYR H H 127 6.817 6.817 7.777 -0.960 19974 733 1 1 . 1 1 128 128 PHE N N 128 116.130 116.130 117.373 -1.243 19974 734 1 1 . 1 1 128 128 PHE HA H 128 4.907 4.907 4.930 -0.023 19974 735 1 1 . 1 1 128 128 PHE C C 128 172.450 172.450 173.496 -1.046 19974 736 1 1 . 1 1 128 128 PHE CA C 128 55.003 55.003 55.341 -0.338 19974 737 1 1 . 1 1 128 128 PHE CB C 128 38.550 38.550 40.569 -2.019 19974 738 1 1 . 1 1 128 128 PHE H H 128 8.688 8.688 8.364 0.324 19974 739 1 1 . 1 1 129 129 PRO HA H 129 4.680 4.680 4.629 0.051 19974 740 1 1 . 1 1 129 129 PRO C C 129 175.720 175.720 176.752 -1.032 19974 741 1 1 . 1 1 129 129 PRO CA C 129 63.382 63.382 62.755 0.627 19974 742 1 1 . 1 1 129 129 PRO CB C 129 31.810 31.810 32.319 -0.509 19974 743 1 1 . 1 1 130 130 TRP N N 130 123.170 123.170 126.307 -3.137 19974 744 1 1 . 1 1 130 130 TRP HA H 130 4.031 4.031 4.557 -0.526 19974 745 1 1 . 1 1 130 130 TRP C C 130 175.310 175.310 175.362 -0.052 19974 746 1 1 . 1 1 130 130 TRP CA C 130 59.510 59.510 58.677 0.833 19974 747 1 1 . 1 1 130 130 TRP CB C 130 29.300 29.300 30.203 -0.903 19974 748 1 1 . 1 1 130 130 TRP H H 130 7.910 7.910 8.534 -0.624 19974 749 1 1 . 1 1 131 131 LYS N N 131 127.060 127.060 125.018 2.042 19974 750 1 1 . 1 1 131 131 LYS HA H 131 4.260 4.260 4.214 0.046 19974 751 1 1 . 1 1 131 131 LYS C C 131 174.450 174.450 175.937 -1.487 19974 752 1 1 . 1 1 131 131 LYS CA C 131 53.240 53.240 54.130 -0.890 19974 753 1 1 . 1 1 131 131 LYS CB C 131 35.250 35.250 34.396 0.854 19974 754 1 1 . 1 1 131 131 LYS H H 131 8.097 8.097 7.292 0.805 19974 755 1 1 . 1 1 132 132 LYS N N 132 116.250 116.250 123.496 -7.246 19974 756 1 1 . 1 1 132 132 LYS HA H 132 3.398 3.398 3.515 -0.117 19974 757 1 1 . 1 1 132 132 LYS C C 132 176.550 176.550 176.310 0.240 19974 758 1 1 . 1 1 132 132 LYS CA C 132 58.140 58.140 58.428 -0.288 19974 759 1 1 . 1 1 132 132 LYS CB C 132 31.880 31.880 32.445 -0.565 19974 760 1 1 . 1 1 132 132 LYS H H 132 7.761 7.761 8.662 -0.901 19974 761 1 1 . 1 1 133 133 ASP N N 133 116.600 116.600 117.999 -1.399 19974 762 1 1 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.530 -0.179 19974 763 1 1 . 1 1 133 133 ASP C C 133 175.320 175.320 175.736 -0.416 19974 764 1 1 . 1 1 133 133 ASP CA C 133 52.520 52.520 53.941 -1.421 19974 765 1 1 . 1 1 133 133 ASP CB C 133 38.720 38.720 40.270 -1.550 19974 766 1 1 . 1 1 133 133 ASP H H 133 7.633 7.633 7.996 -0.363 19974 767 1 1 . 1 1 134 134 ASP N N 134 119.140 119.140 121.178 -2.038 19974 768 1 1 . 1 1 134 134 ASP HA H 134 3.989 3.989 4.393 -0.404 19974 769 1 1 . 1 1 134 134 ASP C C 134 175.500 175.500 175.884 -0.384 19974 770 1 1 . 1 1 134 134 ASP CA C 134 56.410 56.410 54.539 1.871 19974 771 1 1 . 1 1 134 134 ASP CB C 134 42.740 42.740 41.393 1.347 19974 772 1 1 . 1 1 134 134 ASP H H 134 7.251 7.251 7.224 0.027 19974 773 1 1 . 1 1 135 135 ILE N N 135 123.230 123.230 119.987 3.243 19974 774 1 1 . 1 1 135 135 ILE HA H 135 4.301 4.301 4.438 -0.137 19974 775 1 1 . 1 1 135 135 ILE C C 135 176.300 176.300 174.803 1.497 19974 776 1 1 . 1 1 135 135 ILE CA C 135 58.640 58.640 59.544 -0.903 19974 777 1 1 . 1 1 135 135 ILE CB C 135 40.800 40.800 40.337 0.463 19974 778 1 1 . 1 1 135 135 ILE H H 135 8.351 8.351 8.137 0.214 19974 779 1 1 . 1 1 136 136 ASP N N 136 131.670 131.670 126.531 5.139 19974 780 1 1 . 1 1 136 136 ASP HA H 136 5.640 5.640 4.726 0.914 19974 781 1 1 . 1 1 136 136 ASP C C 136 176.150 176.150 176.048 0.102 19974 782 1 1 . 1 1 136 136 ASP CA C 136 52.560 52.560 54.049 -1.489 19974 783 1 1 . 1 1 136 136 ASP CB C 136 38.180 38.180 41.315 -3.135 19974 784 1 1 . 1 1 136 136 ASP H H 136 9.036 9.036 8.463 0.573 19974 785 1 1 . 1 1 137 137 GLU N N 137 125.270 125.270 124.852 0.418 19974 786 1 1 . 1 1 137 137 GLU HA H 137 3.735 3.735 4.397 -0.662 19974 787 1 1 . 1 1 137 137 GLU C C 137 176.110 176.110 176.385 -0.275 19974 788 1 1 . 1 1 137 137 GLU CA C 137 59.490 59.490 57.312 2.178 19974 789 1 1 . 1 1 137 137 GLU CB C 137 32.880 32.880 31.021 1.859 19974 790 1 1 . 1 1 137 137 GLU H H 137 8.435 8.435 9.410 -0.975 19974 791 1 1 . 1 1 138 138 LEU N N 138 117.210 117.210 121.006 -3.796 19974 792 1 1 . 1 1 138 138 LEU HA H 138 4.960 4.960 4.635 0.325 19974 793 1 1 . 1 1 138 138 LEU C C 138 173.560 173.560 174.664 -1.104 19974 794 1 1 . 1 1 138 138 LEU CA C 138 50.310 50.310 52.372 -2.062 19974 795 1 1 . 1 1 138 138 LEU CB C 138 41.350 41.350 42.721 -1.371 19974 796 1 1 . 1 1 138 138 LEU H H 138 8.308 8.308 8.208 0.100 19974 797 1 1 . 1 1 139 139 PRO HA H 139 4.335 4.335 4.643 -0.308 19974 798 1 1 . 1 1 139 139 PRO C C 139 177.700 177.700 176.430 1.270 19974 799 1 1 . 1 1 139 139 PRO CA C 139 62.550 62.550 61.678 0.872 19974 800 1 1 . 1 1 139 139 PRO CB C 139 32.520 32.520 33.680 -1.160 19974 801 1 1 . 1 1 140 140 ASN N N 140 120.930 120.930 117.538 3.392 19974 802 1 1 . 1 1 140 140 ASN HA H 140 4.730 4.730 4.606 0.124 19974 803 1 1 . 1 1 140 140 ASN C C 140 174.460 174.460 174.952 -0.492 19974 804 1 1 . 1 1 140 140 ASN CA C 140 52.790 52.790 54.249 -1.459 19974 805 1 1 . 1 1 140 140 ASN CB C 140 38.520 38.520 38.912 -0.392 19974 806 1 1 . 1 1 140 140 ASN H H 140 9.213 9.213 8.665 0.548 19974 807 1 1 . 1 1 141 141 THR N N 141 107.730 107.730 116.259 -8.529 19974 808 1 1 . 1 1 141 141 THR HA H 141 3.853 3.853 4.199 -0.346 19974 809 1 1 . 1 1 141 141 THR C C 141 176.410 176.410 174.244 2.166 19974 810 1 1 . 1 1 141 141 THR CA C 141 61.560 61.560 63.090 -1.530 19974 811 1 1 . 1 1 141 141 THR CB C 141 69.450 69.450 69.451 -0.001 19974 812 1 1 . 1 1 141 141 THR H H 141 7.003 7.003 7.596 -0.593 19974 813 1 1 . 1 1 142 142 ILE N N 142 129.530 129.530 125.722 3.808 19974 814 1 1 . 1 1 142 142 ILE HA H 142 3.976 3.976 3.829 0.147 19974 815 1 1 . 1 1 142 142 ILE C C 142 176.020 176.020 176.301 -0.281 19974 816 1 1 . 1 1 142 142 ILE CA C 142 62.150 62.150 61.910 0.240 19974 817 1 1 . 1 1 142 142 ILE CB C 142 37.890 37.890 38.215 -0.325 19974 818 1 1 . 1 1 142 142 ILE H H 142 9.030 9.030 8.268 0.762 19974 819 1 1 . 1 1 143 143 SER N N 143 124.630 124.630 123.082 1.548 19974 820 1 1 . 1 1 143 143 SER HA H 143 4.481 4.481 4.738 -0.257 19974 821 1 1 . 1 1 143 143 SER C C 143 172.920 172.920 173.233 -0.313 19974 822 1 1 . 1 1 143 143 SER CA C 143 57.120 57.120 58.271 -1.151 19974 823 1 1 . 1 1 143 143 SER CB C 143 60.710 60.710 64.426 -3.716 19974 824 1 1 . 1 1 143 143 SER H H 143 8.709 8.709 8.817 -0.108 19974 825 1 1 . 1 1 144 144 LYS N N 144 126.170 126.170 122.361 3.809 19974 826 1 1 . 1 1 144 144 LYS HA H 144 4.954 4.954 4.989 -0.035 19974 827 1 1 . 1 1 144 144 LYS C C 144 175.910 175.910 176.456 -0.546 19974 828 1 1 . 1 1 144 144 LYS CA C 144 54.580 54.580 54.619 -0.039 19974 829 1 1 . 1 1 144 144 LYS CB C 144 35.170 35.170 36.593 -1.423 19974 830 1 1 . 1 1 144 144 LYS H H 144 8.043 8.043 8.427 -0.384 19974 831 1 2 . 1 1 3 3 LYS HA H 3 4.317 4.317 4.189 0.128 19974 832 1 2 . 1 1 3 3 LYS C C 3 176.840 176.840 178.776 -1.936 19974 833 1 2 . 1 1 3 3 LYS CA C 3 56.180 56.180 59.188 -3.008 19974 834 1 2 . 1 1 3 3 LYS CB C 3 33.030 33.030 32.367 0.663 19974 835 1 2 . 1 1 4 4 ILE N N 4 122.990 122.990 119.473 3.517 19974 836 1 2 . 1 1 4 4 ILE HA H 4 3.919 3.919 3.827 0.092 19974 837 1 2 . 1 1 4 4 ILE C C 4 176.120 176.120 177.812 -1.692 19974 838 1 2 . 1 1 4 4 ILE CA C 4 61.530 61.530 65.278 -3.748 19974 839 1 2 . 1 1 4 4 ILE CB C 4 38.040 38.040 37.699 0.341 19974 840 1 2 . 1 1 4 4 ILE H H 4 8.391 8.391 7.907 0.484 19974 841 1 2 . 1 1 5 5 GLU N N 5 123.430 123.430 118.134 5.296 19974 842 1 2 . 1 1 5 5 GLU HA H 5 4.116 4.116 4.228 -0.112 19974 843 1 2 . 1 1 5 5 GLU C C 5 175.830 175.830 177.875 -2.045 19974 844 1 2 . 1 1 5 5 GLU CA C 5 56.900 56.900 58.466 -1.566 19974 845 1 2 . 1 1 5 5 GLU CB C 5 29.350 29.350 29.226 0.124 19974 846 1 2 . 1 1 5 5 GLU H H 5 8.508 8.508 8.417 0.091 19974 847 1 2 . 1 1 6 6 GLU N N 6 119.490 119.490 118.355 1.135 19974 848 1 2 . 1 1 6 6 GLU HA H 6 4.128 4.128 4.137 -0.009 19974 849 1 2 . 1 1 6 6 GLU C C 6 176.270 176.270 177.470 -1.200 19974 850 1 2 . 1 1 6 6 GLU CA C 6 55.700 55.700 58.482 -2.782 19974 851 1 2 . 1 1 6 6 GLU CB C 6 30.190 30.190 30.077 0.113 19974 852 1 2 . 1 1 6 6 GLU H H 6 7.843 7.843 8.000 -0.157 19974 853 1 2 . 1 1 7 7 PHE N N 7 121.090 121.090 119.084 2.006 19974 854 1 2 . 1 1 7 7 PHE HA H 7 4.284 4.284 4.529 -0.245 19974 855 1 2 . 1 1 7 7 PHE C C 7 174.810 174.810 174.985 -0.175 19974 856 1 2 . 1 1 7 7 PHE CA C 7 59.660 59.660 59.904 -0.244 19974 857 1 2 . 1 1 7 7 PHE CB C 7 39.990 39.990 40.794 -0.804 19974 858 1 2 . 1 1 7 7 PHE H H 7 8.092 8.092 7.764 0.328 19974 859 1 2 . 1 1 8 8 LEU N N 8 116.700 116.700 116.912 -0.212 19974 860 1 2 . 1 1 8 8 LEU HA H 8 4.792 4.792 4.793 -0.001 19974 861 1 2 . 1 1 8 8 LEU C C 8 176.940 176.940 176.047 0.893 19974 862 1 2 . 1 1 8 8 LEU CA C 8 52.730 52.730 52.656 0.074 19974 863 1 2 . 1 1 8 8 LEU CB C 8 45.650 45.650 45.704 -0.054 19974 864 1 2 . 1 1 8 8 LEU H H 8 7.721 7.721 7.402 0.319 19974 865 1 2 . 1 1 9 9 THR N N 9 113.700 113.700 114.010 -0.310 19974 866 1 2 . 1 1 9 9 THR HA H 9 4.397 4.397 4.376 0.021 19974 867 1 2 . 1 1 9 9 THR C C 9 175.410 175.410 175.607 -0.197 19974 868 1 2 . 1 1 9 9 THR CA C 9 60.650 60.650 60.686 -0.036 19974 869 1 2 . 1 1 9 9 THR CB C 9 70.800 70.800 70.625 0.175 19974 870 1 2 . 1 1 9 9 THR H H 9 9.224 9.224 9.143 0.081 19974 871 1 2 . 1 1 10 10 ALA N N 10 123.350 123.350 123.466 -0.116 19974 872 1 2 . 1 1 10 10 ALA HA H 10 4.036 4.036 4.062 -0.026 19974 873 1 2 . 1 1 10 10 ALA C C 10 181.050 181.050 180.014 1.036 19974 874 1 2 . 1 1 10 10 ALA CA C 10 55.500 55.500 55.065 0.435 19974 875 1 2 . 1 1 10 10 ALA CB C 10 17.914 17.914 18.410 -0.496 19974 876 1 2 . 1 1 10 10 ALA H H 10 8.881 8.881 8.740 0.141 19974 877 1 2 . 1 1 11 11 GLU N N 11 117.680 117.680 118.468 -0.788 19974 878 1 2 . 1 1 11 11 GLU HA H 11 3.949 3.949 4.034 -0.085 19974 879 1 2 . 1 1 11 11 GLU C C 11 179.500 179.500 178.811 0.689 19974 880 1 2 . 1 1 11 11 GLU CA C 11 59.490 59.490 59.365 0.124 19974 881 1 2 . 1 1 11 11 GLU CB C 11 29.120 29.120 29.414 -0.294 19974 882 1 2 . 1 1 11 11 GLU H H 11 8.460 8.460 8.422 0.038 19974 883 1 2 . 1 1 12 12 GLU N N 12 121.860 121.860 119.532 2.328 19974 884 1 2 . 1 1 12 12 GLU HA H 12 3.818 3.818 4.116 -0.298 19974 885 1 2 . 1 1 12 12 GLU C C 12 178.130 178.130 178.951 -0.821 19974 886 1 2 . 1 1 12 12 GLU CA C 12 59.210 59.210 59.021 0.189 19974 887 1 2 . 1 1 12 12 GLU CB C 12 30.800 30.800 29.853 0.947 19974 888 1 2 . 1 1 12 12 GLU H H 12 7.698 7.698 7.477 0.221 19974 889 1 2 . 1 1 13 13 GLU N N 13 118.170 118.170 119.733 -1.563 19974 890 1 2 . 1 1 13 13 GLU HA H 13 3.640 3.640 4.004 -0.364 19974 891 1 2 . 1 1 13 13 GLU C C 13 178.070 178.070 178.648 -0.578 19974 892 1 2 . 1 1 13 13 GLU CA C 13 60.539 60.539 59.413 1.126 19974 893 1 2 . 1 1 13 13 GLU CB C 13 29.130 29.130 29.543 -0.413 19974 894 1 2 . 1 1 13 13 GLU H H 13 8.493 8.493 8.615 -0.122 19974 895 1 2 . 1 1 14 14 LYS N N 14 117.980 117.980 119.810 -1.830 19974 896 1 2 . 1 1 14 14 LYS HA H 14 3.887 3.887 3.985 -0.098 19974 897 1 2 . 1 1 14 14 LYS C C 14 177.420 177.420 178.600 -1.180 19974 898 1 2 . 1 1 14 14 LYS CA C 14 59.350 59.350 59.437 -0.087 19974 899 1 2 . 1 1 14 14 LYS CB C 14 32.200 32.200 32.383 -0.183 19974 900 1 2 . 1 1 14 14 LYS H H 14 7.650 7.650 7.880 -0.230 19974 901 1 2 . 1 1 15 15 ALA N N 15 119.210 119.210 121.481 -2.271 19974 902 1 2 . 1 1 15 15 ALA HA H 15 4.098 4.098 4.078 0.020 19974 903 1 2 . 1 1 15 15 ALA C C 15 180.550 180.550 179.794 0.756 19974 904 1 2 . 1 1 15 15 ALA CA C 15 54.600 54.600 54.905 -0.305 19974 905 1 2 . 1 1 15 15 ALA CB C 15 17.790 17.790 18.263 -0.473 19974 906 1 2 . 1 1 15 15 ALA H H 15 7.362 7.362 7.456 -0.094 19974 907 1 2 . 1 1 16 16 ILE N N 16 119.990 119.990 119.033 0.957 19974 908 1 2 . 1 1 16 16 ILE HA H 16 3.493 3.493 3.716 -0.223 19974 909 1 2 . 1 1 16 16 ILE C C 16 176.510 176.510 177.603 -1.093 19974 910 1 2 . 1 1 16 16 ILE CA C 16 65.072 65.072 64.186 0.885 19974 911 1 2 . 1 1 16 16 ILE CB C 16 37.580 37.580 38.409 -0.829 19974 912 1 2 . 1 1 16 16 ILE H H 16 7.592 7.592 7.545 0.047 19974 913 1 2 . 1 1 17 17 VAL N N 17 121.520 121.520 121.194 0.326 19974 914 1 2 . 1 1 17 17 VAL HA H 17 3.504 3.504 3.591 -0.087 19974 915 1 2 . 1 1 17 17 VAL C C 17 178.620 178.620 177.952 0.668 19974 916 1 2 . 1 1 17 17 VAL CA C 17 67.324 67.324 66.697 0.627 19974 917 1 2 . 1 1 17 17 VAL CB C 17 31.350 31.350 31.502 -0.152 19974 918 1 2 . 1 1 17 17 VAL H H 17 8.155 8.155 8.397 -0.242 19974 919 1 2 . 1 1 18 18 ASP N N 18 120.000 120.000 120.030 -0.030 19974 920 1 2 . 1 1 18 18 ASP HA H 18 4.223 4.223 4.418 -0.195 19974 921 1 2 . 1 1 18 18 ASP C C 18 177.980 177.980 177.965 0.015 19974 922 1 2 . 1 1 18 18 ASP CA C 18 57.050 57.050 57.116 -0.066 19974 923 1 2 . 1 1 18 18 ASP CB C 18 39.410 39.410 40.828 -1.418 19974 924 1 2 . 1 1 18 18 ASP H H 18 8.605 8.605 7.877 0.728 19974 925 1 2 . 1 1 19 19 ALA N N 19 122.620 122.620 122.775 -0.155 19974 926 1 2 . 1 1 19 19 ALA HA H 19 4.194 4.194 4.000 0.194 19974 927 1 2 . 1 1 19 19 ALA C C 19 180.720 180.720 179.687 1.033 19974 928 1 2 . 1 1 19 19 ALA CA C 19 54.970 54.970 55.081 -0.111 19974 929 1 2 . 1 1 19 19 ALA CB C 19 17.850 17.850 18.530 -0.680 19974 930 1 2 . 1 1 19 19 ALA H H 19 7.702 7.702 7.580 0.122 19974 931 1 2 . 1 1 20 20 ILE N N 20 122.620 122.620 118.309 4.311 19974 932 1 2 . 1 1 20 20 ILE HA H 20 3.309 3.309 3.686 -0.377 19974 933 1 2 . 1 1 20 20 ILE C C 20 176.740 176.740 177.997 -1.257 19974 934 1 2 . 1 1 20 20 ILE CA C 20 66.830 66.830 63.806 3.024 19974 935 1 2 . 1 1 20 20 ILE CB C 20 38.140 38.140 36.610 1.530 19974 936 1 2 . 1 1 20 20 ILE H H 20 8.234 8.234 7.797 0.437 19974 937 1 2 . 1 1 21 21 ARG N N 21 119.660 119.660 119.293 0.367 19974 938 1 2 . 1 1 21 21 ARG HA H 21 3.899 3.899 3.987 -0.088 19974 939 1 2 . 1 1 21 21 ARG C C 21 179.540 179.540 178.393 1.147 19974 940 1 2 . 1 1 21 21 ARG CA C 21 58.990 58.990 59.625 -0.635 19974 941 1 2 . 1 1 21 21 ARG CB C 21 29.020 29.020 30.065 -1.045 19974 942 1 2 . 1 1 21 21 ARG H H 21 8.212 8.212 7.724 0.488 19974 943 1 2 . 1 1 22 22 ASP N N 22 118.640 118.640 116.675 1.965 19974 944 1 2 . 1 1 22 22 ASP HA H 22 4.239 4.239 4.540 -0.301 19974 945 1 2 . 1 1 22 22 ASP C C 22 179.190 179.190 177.564 1.626 19974 946 1 2 . 1 1 22 22 ASP CA C 22 57.270 57.270 56.110 1.160 19974 947 1 2 . 1 1 22 22 ASP CB C 22 39.770 39.770 40.805 -1.035 19974 948 1 2 . 1 1 22 22 ASP H H 22 8.137 8.137 7.833 0.304 19974 949 1 2 . 1 1 23 23 ALA N N 23 126.120 126.120 124.072 2.048 19974 950 1 2 . 1 1 23 23 ALA HA H 23 4.207 4.207 4.077 0.130 19974 951 1 2 . 1 1 23 23 ALA C C 23 181.060 181.060 179.004 2.056 19974 952 1 2 . 1 1 23 23 ALA CA C 23 55.430 55.430 54.799 0.631 19974 953 1 2 . 1 1 23 23 ALA CB C 23 18.690 18.690 18.564 0.126 19974 954 1 2 . 1 1 23 23 ALA H H 23 8.500 8.500 7.622 0.878 19974 955 1 2 . 1 1 24 24 GLU N N 24 115.460 115.460 115.577 -0.117 19974 956 1 2 . 1 1 24 24 GLU HA H 24 4.213 4.213 4.331 -0.118 19974 957 1 2 . 1 1 24 24 GLU C C 24 176.390 176.390 176.518 -0.128 19974 958 1 2 . 1 1 24 24 GLU CA C 24 58.180 58.180 56.624 1.556 19974 959 1 2 . 1 1 24 24 GLU CB C 24 28.200 28.200 28.240 -0.040 19974 960 1 2 . 1 1 24 24 GLU H H 24 8.451 8.451 8.091 0.360 19974 961 1 2 . 1 1 25 25 LYS N N 25 115.790 115.790 116.744 -0.954 19974 962 1 2 . 1 1 25 25 LYS HA H 25 3.739 3.739 4.280 -0.541 19974 963 1 2 . 1 1 25 25 LYS C C 25 176.020 176.020 175.848 0.172 19974 964 1 2 . 1 1 25 25 LYS CA C 25 56.220 56.220 56.042 0.178 19974 965 1 2 . 1 1 25 25 LYS CB C 25 32.070 32.070 32.740 -0.670 19974 966 1 2 . 1 1 25 25 LYS H H 25 7.083 7.083 7.238 -0.155 19974 967 1 2 . 1 1 26 26 ASN N N 26 115.060 115.060 117.182 -2.122 19974 968 1 2 . 1 1 26 26 ASN HA H 26 4.749 4.749 4.833 -0.084 19974 969 1 2 . 1 1 26 26 ASN C C 26 174.280 174.280 174.300 -0.020 19974 970 1 2 . 1 1 26 26 ASN CA C 26 53.050 53.050 53.755 -0.705 19974 971 1 2 . 1 1 26 26 ASN CB C 26 40.410 40.410 41.418 -1.008 19974 972 1 2 . 1 1 26 26 ASN H H 26 7.931 7.931 8.211 -0.280 19974 973 1 2 . 1 1 27 27 THR N N 27 113.430 113.430 113.539 -0.109 19974 974 1 2 . 1 1 27 27 THR HA H 27 5.507 5.507 5.174 0.333 19974 975 1 2 . 1 1 27 27 THR C C 27 170.850 170.850 173.136 -2.286 19974 976 1 2 . 1 1 27 27 THR CA C 27 57.130 57.130 59.820 -2.690 19974 977 1 2 . 1 1 27 27 THR CB C 27 70.200 70.200 70.369 -0.169 19974 978 1 2 . 1 1 27 27 THR H H 27 7.619 7.619 7.605 0.014 19974 979 1 2 . 1 1 28 28 SER N N 28 119.450 119.450 118.694 0.756 19974 980 1 2 . 1 1 28 28 SER HA H 28 4.773 4.773 4.955 -0.182 19974 981 1 2 . 1 1 28 28 SER C C 28 176.330 176.330 174.228 2.102 19974 982 1 2 . 1 1 28 28 SER CA C 28 58.913 58.913 57.794 1.119 19974 983 1 2 . 1 1 28 28 SER CB C 28 64.360 64.360 63.392 0.968 19974 984 1 2 . 1 1 28 28 SER H H 28 7.706 7.706 8.817 -1.111 19974 985 1 2 . 1 1 29 29 GLY N N 29 111.350 111.350 109.688 1.662 19974 986 1 2 . 1 1 29 29 GLY C C 29 171.210 171.210 173.129 -1.919 19974 987 1 2 . 1 1 29 29 GLY CA C 29 44.643 44.643 44.912 -0.269 19974 988 1 2 . 1 1 29 29 GLY H H 29 9.011 9.011 7.673 1.338 19974 989 1 2 . 1 1 30 30 GLU N N 30 120.620 120.620 123.641 -3.021 19974 990 1 2 . 1 1 30 30 GLU HA H 30 4.867 4.867 4.826 0.041 19974 991 1 2 . 1 1 30 30 GLU C C 30 174.500 174.500 175.588 -1.088 19974 992 1 2 . 1 1 30 30 GLU CA C 30 54.320 54.320 55.503 -1.183 19974 993 1 2 . 1 1 30 30 GLU CB C 30 34.030 34.030 30.815 3.215 19974 994 1 2 . 1 1 30 30 GLU H H 30 6.897 6.897 8.478 -1.581 19974 995 1 2 . 1 1 31 31 ILE N N 31 121.650 121.650 125.016 -3.366 19974 996 1 2 . 1 1 31 31 ILE HA H 31 5.171 5.171 4.328 0.843 19974 997 1 2 . 1 1 31 31 ILE C C 31 175.550 175.550 174.477 1.073 19974 998 1 2 . 1 1 31 31 ILE CA C 31 59.740 59.740 60.561 -0.821 19974 999 1 2 . 1 1 31 31 ILE CB C 31 42.520 42.520 39.031 3.489 19974 1000 1 2 . 1 1 31 31 ILE H H 31 8.546 8.546 9.275 -0.729 19974 1001 1 2 . 1 1 32 32 ARG N N 32 121.690 121.690 126.176 -4.486 19974 1002 1 2 . 1 1 32 32 ARG HA H 32 4.951 4.951 4.778 0.173 19974 1003 1 2 . 1 1 32 32 ARG C C 32 173.740 173.740 173.879 -0.139 19974 1004 1 2 . 1 1 32 32 ARG CA C 32 55.220 55.220 54.002 1.218 19974 1005 1 2 . 1 1 32 32 ARG CB C 32 34.720 34.720 35.114 -0.394 19974 1006 1 2 . 1 1 32 32 ARG H H 32 8.751 8.751 8.649 0.102 19974 1007 1 2 . 1 1 33 33 VAL N N 33 120.770 120.770 122.097 -1.327 19974 1008 1 2 . 1 1 33 33 VAL HA H 33 4.972 4.972 4.664 0.308 19974 1009 1 2 . 1 1 33 33 VAL C C 33 173.790 173.790 173.409 0.381 19974 1010 1 2 . 1 1 33 33 VAL CA C 33 59.700 59.700 59.928 -0.228 19974 1011 1 2 . 1 1 33 33 VAL CB C 33 34.820 34.820 34.707 0.113 19974 1012 1 2 . 1 1 33 33 VAL H H 33 8.617 8.617 8.817 -0.200 19974 1013 1 2 . 1 1 34 34 HIS N N 34 125.000 125.000 127.243 -2.243 19974 1014 1 2 . 1 1 34 34 HIS HA H 34 5.743 5.743 5.240 0.503 19974 1015 1 2 . 1 1 34 34 HIS C C 34 172.790 172.790 172.940 -0.150 19974 1016 1 2 . 1 1 34 34 HIS CA C 34 54.370 54.370 54.256 0.114 19974 1017 1 2 . 1 1 34 34 HIS CB C 34 36.840 36.840 32.861 3.979 19974 1018 1 2 . 1 1 34 34 HIS H H 34 8.552 8.552 9.178 -0.626 19974 1019 1 2 . 1 1 35 35 LEU N N 35 124.400 124.400 128.011 -3.611 19974 1020 1 2 . 1 1 35 35 LEU HA H 35 4.800 4.800 4.697 0.103 19974 1021 1 2 . 1 1 35 35 LEU C C 35 174.490 174.490 174.055 0.435 19974 1022 1 2 . 1 1 35 35 LEU CA C 35 52.190 52.190 53.823 -1.633 19974 1023 1 2 . 1 1 35 35 LEU CB C 35 44.880 44.880 44.904 -0.024 19974 1024 1 2 . 1 1 35 35 LEU H H 35 8.006 8.006 8.425 -0.419 19974 1025 1 2 . 1 1 36 36 GLU N N 36 116.112 116.112 124.429 -8.317 19974 1026 1 2 . 1 1 36 36 GLU HA H 36 4.573 4.573 4.559 0.014 19974 1027 1 2 . 1 1 36 36 GLU C C 36 174.350 174.350 175.434 -1.084 19974 1028 1 2 . 1 1 36 36 GLU CA C 36 54.130 54.130 54.793 -0.663 19974 1029 1 2 . 1 1 36 36 GLU CB C 36 31.960 31.960 33.661 -1.701 19974 1030 1 2 . 1 1 36 36 GLU H H 36 8.235 8.235 8.689 -0.454 19974 1031 1 2 . 1 1 37 37 LYS N N 37 121.210 121.210 120.086 1.124 19974 1032 1 2 . 1 1 37 37 LYS HA H 37 3.731 3.731 4.185 -0.454 19974 1033 1 2 . 1 1 37 37 LYS C C 37 175.200 175.200 176.526 -1.326 19974 1034 1 2 . 1 1 37 37 LYS CA C 37 61.410 61.410 59.070 2.340 19974 1035 1 2 . 1 1 37 37 LYS CB C 37 33.090 33.090 33.245 -0.155 19974 1036 1 2 . 1 1 37 37 LYS H H 37 9.055 9.055 8.533 0.522 19974 1037 1 2 . 1 1 38 38 THR N N 38 107.310 107.310 111.004 -3.694 19974 1038 1 2 . 1 1 38 38 THR HA H 38 4.448 4.448 4.632 -0.184 19974 1039 1 2 . 1 1 38 38 THR C C 38 171.420 171.420 172.806 -1.386 19974 1040 1 2 . 1 1 38 38 THR CA C 38 59.530 59.530 60.334 -0.804 19974 1041 1 2 . 1 1 38 38 THR CB C 38 69.570 69.570 70.001 -0.432 19974 1042 1 2 . 1 1 38 38 THR H H 38 7.480 7.480 7.853 -0.373 19974 1043 1 2 . 1 1 39 39 SER N N 39 116.050 116.050 122.975 -6.925 19974 1044 1 2 . 1 1 39 39 SER HA H 39 4.641 4.641 4.730 -0.089 19974 1045 1 2 . 1 1 39 39 SER C C 39 175.590 175.590 175.323 0.267 19974 1046 1 2 . 1 1 39 39 SER CA C 39 57.340 57.340 57.905 -0.565 19974 1047 1 2 . 1 1 39 39 SER CB C 39 64.560 64.560 64.529 0.030 19974 1048 1 2 . 1 1 39 39 SER H H 39 8.177 8.177 8.641 -0.464 19974 1049 1 2 . 1 1 40 40 GLU N N 40 124.630 124.630 122.802 1.828 19974 1050 1 2 . 1 1 40 40 GLU HA H 40 4.118 4.118 4.343 -0.225 19974 1051 1 2 . 1 1 40 40 GLU C C 40 176.520 176.520 176.222 0.298 19974 1052 1 2 . 1 1 40 40 GLU CA C 40 58.100 58.100 57.374 0.725 19974 1053 1 2 . 1 1 40 40 GLU CB C 40 29.950 29.950 29.884 0.066 19974 1054 1 2 . 1 1 40 40 GLU H H 40 8.905 8.905 8.836 0.069 19974 1055 1 2 . 1 1 41 41 ILE N N 41 113.290 113.290 113.592 -0.302 19974 1056 1 2 . 1 1 41 41 ILE HA H 41 4.460 4.460 4.406 0.054 19974 1057 1 2 . 1 1 41 41 ILE C C 41 175.350 175.350 174.523 0.827 19974 1058 1 2 . 1 1 41 41 ILE CA C 41 59.490 59.490 58.589 0.902 19974 1059 1 2 . 1 1 41 41 ILE CB C 41 40.150 40.150 40.703 -0.553 19974 1060 1 2 . 1 1 41 41 ILE H H 41 7.446 7.446 7.375 0.071 19974 1061 1 2 . 1 1 42 42 ASP N N 42 122.230 122.230 121.470 0.760 19974 1062 1 2 . 1 1 42 42 ASP HA H 42 4.280 4.280 4.700 -0.420 19974 1063 1 2 . 1 1 42 42 ASP C C 42 177.430 177.430 177.533 -0.103 19974 1064 1 2 . 1 1 42 42 ASP CA C 42 55.360 55.360 54.754 0.606 19974 1065 1 2 . 1 1 42 42 ASP CB C 42 42.690 42.690 41.297 1.393 19974 1066 1 2 . 1 1 42 42 ASP H H 42 8.271 8.271 8.524 -0.253 19974 1067 1 2 . 1 1 43 43 VAL N N 43 122.150 122.150 122.050 0.100 19974 1068 1 2 . 1 1 43 43 VAL HA H 43 3.569 3.569 3.540 0.029 19974 1069 1 2 . 1 1 43 43 VAL C C 43 175.780 175.780 177.047 -1.267 19974 1070 1 2 . 1 1 43 43 VAL CA C 43 65.420 65.420 65.326 0.093 19974 1071 1 2 . 1 1 43 43 VAL CB C 43 31.300 31.300 32.011 -0.711 19974 1072 1 2 . 1 1 43 43 VAL H H 43 8.160 8.160 8.427 -0.267 19974 1073 1 2 . 1 1 44 44 PHE N N 44 121.770 121.770 119.916 1.854 19974 1074 1 2 . 1 1 44 44 PHE HA H 44 3.892 3.892 4.034 -0.142 19974 1075 1 2 . 1 1 44 44 PHE C C 44 177.140 177.140 176.244 0.896 19974 1076 1 2 . 1 1 44 44 PHE CA C 44 62.190 62.190 61.673 0.517 19974 1077 1 2 . 1 1 44 44 PHE CB C 44 38.350 38.350 38.311 0.039 19974 1078 1 2 . 1 1 44 44 PHE H H 44 8.101 8.101 8.142 -0.041 19974 1079 1 2 . 1 1 45 45 ASP N N 45 119.540 119.540 118.865 0.675 19974 1080 1 2 . 1 1 45 45 ASP HA H 45 4.106 4.106 4.088 0.018 19974 1081 1 2 . 1 1 45 45 ASP C C 45 178.380 178.380 178.800 -0.420 19974 1082 1 2 . 1 1 45 45 ASP CA C 45 57.010 57.010 58.026 -1.016 19974 1083 1 2 . 1 1 45 45 ASP CB C 45 37.900 37.900 40.008 -2.108 19974 1084 1 2 . 1 1 45 45 ASP H H 45 7.317 7.317 8.401 -1.084 19974 1085 1 2 . 1 1 46 46 ARG N N 46 119.920 119.920 120.693 -0.773 19974 1086 1 2 . 1 1 46 46 ARG HA H 46 3.733 3.733 3.799 -0.066 19974 1087 1 2 . 1 1 46 46 ARG C C 46 176.750 176.750 178.071 -1.321 19974 1088 1 2 . 1 1 46 46 ARG CA C 46 57.136 57.136 59.307 -2.171 19974 1089 1 2 . 1 1 46 46 ARG CB C 46 28.590 28.590 30.096 -1.506 19974 1090 1 2 . 1 1 46 46 ARG H H 46 8.246 8.246 8.085 0.161 19974 1091 1 2 . 1 1 47 47 ALA N N 47 120.910 120.910 121.427 -0.517 19974 1092 1 2 . 1 1 47 47 ALA HA H 47 3.048 3.048 3.869 -0.821 19974 1093 1 2 . 1 1 47 47 ALA C C 47 177.810 177.810 179.459 -1.649 19974 1094 1 2 . 1 1 47 47 ALA CA C 47 55.010 55.010 54.780 0.230 19974 1095 1 2 . 1 1 47 47 ALA CB C 47 17.400 17.400 17.838 -0.438 19974 1096 1 2 . 1 1 47 47 ALA H H 47 7.803 7.803 7.931 -0.128 19974 1097 1 2 . 1 1 48 48 MET N N 48 115.800 115.800 118.444 -2.644 19974 1098 1 2 . 1 1 48 48 MET HA H 48 2.568 2.568 3.532 -0.964 19974 1099 1 2 . 1 1 48 48 MET C C 48 177.790 177.790 177.682 0.108 19974 1100 1 2 . 1 1 48 48 MET CA C 48 58.910 58.910 58.995 -0.084 19974 1101 1 2 . 1 1 48 48 MET CB C 48 32.750 32.750 32.038 0.712 19974 1102 1 2 . 1 1 48 48 MET H H 48 7.148 7.148 7.766 -0.618 19974 1103 1 2 . 1 1 49 49 ASP N N 49 121.130 121.130 120.350 0.780 19974 1104 1 2 . 1 1 49 49 ASP HA H 49 4.326 4.326 4.299 0.027 19974 1105 1 2 . 1 1 49 49 ASP C C 49 178.960 178.960 179.068 -0.108 19974 1106 1 2 . 1 1 49 49 ASP CA C 49 57.330 57.330 57.672 -0.342 19974 1107 1 2 . 1 1 49 49 ASP CB C 49 40.180 40.180 40.673 -0.493 19974 1108 1 2 . 1 1 49 49 ASP H H 49 7.656 7.656 8.143 -0.487 19974 1109 1 2 . 1 1 50 50 VAL N N 50 122.030 122.030 120.313 1.717 19974 1110 1 2 . 1 1 50 50 VAL HA H 50 3.150 3.150 3.557 -0.407 19974 1111 1 2 . 1 1 50 50 VAL C C 50 176.610 176.610 177.820 -1.210 19974 1112 1 2 . 1 1 50 50 VAL CA C 50 66.980 66.980 66.460 0.520 19974 1113 1 2 . 1 1 50 50 VAL CB C 50 30.450 30.450 31.691 -1.241 19974 1114 1 2 . 1 1 50 50 VAL H H 50 8.506 8.506 8.200 0.306 19974 1115 1 2 . 1 1 51 51 PHE N N 51 120.010 120.010 120.665 -0.655 19974 1116 1 2 . 1 1 51 51 PHE HA H 51 3.701 3.701 4.201 -0.500 19974 1117 1 2 . 1 1 51 51 PHE C C 51 176.990 176.990 177.184 -0.194 19974 1118 1 2 . 1 1 51 51 PHE CA C 51 61.610 61.610 61.459 0.151 19974 1119 1 2 . 1 1 51 51 PHE CB C 51 39.350 39.350 39.258 0.092 19974 1120 1 2 . 1 1 51 51 PHE H H 51 8.236 8.236 8.570 -0.334 19974 1121 1 2 . 1 1 52 52 HIS N N 52 114.400 114.400 117.944 -3.544 19974 1122 1 2 . 1 1 52 52 HIS HA H 52 4.322 4.322 4.825 -0.503 19974 1123 1 2 . 1 1 52 52 HIS C C 52 179.389 179.389 177.998 1.391 19974 1124 1 2 . 1 1 52 52 HIS CA C 52 59.670 59.670 58.699 0.971 19974 1125 1 2 . 1 1 52 52 HIS CB C 52 28.380 28.380 30.064 -1.684 19974 1126 1 2 . 1 1 52 52 HIS H H 52 7.595 7.595 8.202 -0.607 19974 1127 1 2 . 1 1 53 53 ASN N N 53 125.300 125.300 118.882 6.418 19974 1128 1 2 . 1 1 53 53 ASN HA H 53 4.346 4.346 4.506 -0.160 19974 1129 1 2 . 1 1 53 53 ASN C C 53 177.560 177.560 177.591 -0.031 19974 1130 1 2 . 1 1 53 53 ASN CA C 53 56.260 56.260 55.916 0.344 19974 1131 1 2 . 1 1 53 53 ASN CB C 53 38.020 38.020 38.629 -0.609 19974 1132 1 2 . 1 1 53 53 ASN H H 53 9.216 9.216 8.412 0.804 19974 1133 1 2 . 1 1 54 54 LEU N N 54 117.070 117.070 118.033 -0.963 19974 1134 1 2 . 1 1 54 54 LEU HA H 54 4.114 4.114 4.180 -0.066 19974 1135 1 2 . 1 1 54 54 LEU C C 54 175.780 175.780 176.185 -0.405 19974 1136 1 2 . 1 1 54 54 LEU CA C 54 54.400 54.400 55.202 -0.801 19974 1137 1 2 . 1 1 54 54 LEU CB C 54 42.810 42.810 42.050 0.761 19974 1138 1 2 . 1 1 54 54 LEU H H 54 8.270 8.270 7.987 0.283 19974 1139 1 2 . 1 1 55 55 LYS N N 55 116.580 116.580 115.145 1.435 19974 1140 1 2 . 1 1 55 55 LYS HA H 55 3.954 3.954 3.938 0.016 19974 1141 1 2 . 1 1 55 55 LYS C C 55 177.650 177.650 177.189 0.461 19974 1142 1 2 . 1 1 55 55 LYS CA C 55 56.630 56.630 57.114 -0.484 19974 1143 1 2 . 1 1 55 55 LYS CB C 55 28.110 28.110 29.721 -1.611 19974 1144 1 2 . 1 1 55 55 LYS H H 55 7.953 7.953 7.531 0.422 19974 1145 1 2 . 1 1 56 56 MET N N 56 114.460 114.460 116.590 -2.130 19974 1146 1 2 . 1 1 56 56 MET HA H 56 3.624 3.624 4.038 -0.414 19974 1147 1 2 . 1 1 56 56 MET C C 56 174.010 174.010 176.883 -2.873 19974 1148 1 2 . 1 1 56 56 MET CA C 56 56.800 56.800 58.667 -1.867 19974 1149 1 2 . 1 1 56 56 MET CB C 56 28.620 28.620 32.008 -3.388 19974 1150 1 2 . 1 1 56 56 MET H H 56 7.496 7.496 7.890 -0.394 19974 1151 1 2 . 1 1 57 57 ASP N N 57 113.610 113.610 118.525 -4.915 19974 1152 1 2 . 1 1 57 57 ASP HA H 57 4.490 4.490 4.881 -0.391 19974 1153 1 2 . 1 1 57 57 ASP C C 57 176.060 176.060 176.984 -0.924 19974 1154 1 2 . 1 1 57 57 ASP CA C 57 53.030 53.030 56.166 -3.136 19974 1155 1 2 . 1 1 57 57 ASP CB C 57 38.940 38.940 40.182 -1.242 19974 1156 1 2 . 1 1 57 57 ASP H H 57 8.921 8.921 8.427 0.494 19974 1157 1 2 . 1 1 58 58 ASN N N 58 119.880 119.880 118.879 1.001 19974 1158 1 2 . 1 1 58 58 ASN HA H 58 4.885 4.885 4.636 0.249 19974 1159 1 2 . 1 1 58 58 ASN C C 58 174.060 174.060 174.149 -0.089 19974 1160 1 2 . 1 1 58 58 ASN CA C 58 52.190 52.190 53.394 -1.204 19974 1161 1 2 . 1 1 58 58 ASN CB C 58 37.230 37.230 37.965 -0.735 19974 1162 1 2 . 1 1 58 58 ASN H H 58 7.070 7.070 7.617 -0.547 19974 1163 1 2 . 1 1 59 59 THR N N 59 108.570 108.570 111.700 -3.130 19974 1164 1 2 . 1 1 59 59 THR HA H 59 4.449 4.449 4.983 -0.534 19974 1165 1 2 . 1 1 59 59 THR C C 59 175.810 175.810 175.039 0.771 19974 1166 1 2 . 1 1 59 59 THR CA C 59 59.600 59.600 59.529 0.071 19974 1167 1 2 . 1 1 59 59 THR CB C 59 70.900 70.900 72.232 -1.332 19974 1168 1 2 . 1 1 59 59 THR H H 59 7.636 7.636 7.800 -0.164 19974 1169 1 2 . 1 1 60 60 LYS N N 60 126.400 126.400 126.797 -0.397 19974 1170 1 2 . 1 1 60 60 LYS HA H 60 3.923 3.923 4.097 -0.174 19974 1171 1 2 . 1 1 60 60 LYS C C 60 179.030 179.030 176.801 2.229 19974 1172 1 2 . 1 1 60 60 LYS CA C 60 59.600 59.600 58.982 0.618 19974 1173 1 2 . 1 1 60 60 LYS CB C 60 32.480 32.480 32.508 -0.028 19974 1174 1 2 . 1 1 60 60 LYS H H 60 10.322 10.322 9.435 0.887 19974 1175 1 2 . 1 1 61 61 LEU N N 61 114.780 114.780 116.947 -2.167 19974 1176 1 2 . 1 1 61 61 LEU HA H 61 4.430 4.430 4.457 -0.027 19974 1177 1 2 . 1 1 61 61 LEU C C 61 175.660 175.660 175.650 0.010 19974 1178 1 2 . 1 1 61 61 LEU CA C 61 52.830 52.830 53.812 -0.982 19974 1179 1 2 . 1 1 61 61 LEU CB C 61 40.470 40.470 42.142 -1.672 19974 1180 1 2 . 1 1 61 61 LEU H H 61 8.555 8.555 7.761 0.794 19974 1181 1 2 . 1 1 62 62 GLN N N 62 116.490 116.490 115.818 0.672 19974 1182 1 2 . 1 1 62 62 GLN HA H 62 3.715 3.715 3.899 -0.184 19974 1183 1 2 . 1 1 62 62 GLN C C 62 175.060 175.060 174.641 0.419 19974 1184 1 2 . 1 1 62 62 GLN CA C 62 56.440 56.440 56.662 -0.222 19974 1185 1 2 . 1 1 62 62 GLN CB C 62 26.480 26.480 25.849 0.631 19974 1186 1 2 . 1 1 62 62 GLN H H 62 7.526 7.526 7.586 -0.060 19974 1187 1 2 . 1 1 63 63 ASN N N 63 114.760 114.760 115.624 -0.864 19974 1188 1 2 . 1 1 63 63 ASN HA H 63 4.352 4.352 4.925 -0.573 19974 1189 1 2 . 1 1 63 63 ASN C C 63 173.790 173.790 174.702 -0.912 19974 1190 1 2 . 1 1 63 63 ASN CA C 63 50.680 50.680 52.872 -2.192 19974 1191 1 2 . 1 1 63 63 ASN CB C 63 35.110 35.110 40.724 -5.614 19974 1192 1 2 . 1 1 63 63 ASN H H 63 8.243 8.243 7.977 0.266 19974 1193 1 2 . 1 1 64 64 GLY N N 64 105.820 105.820 108.453 -2.633 19974 1194 1 2 . 1 1 64 64 GLY C C 64 172.650 172.650 172.965 -0.315 19974 1195 1 2 . 1 1 64 64 GLY CA C 64 44.136 44.136 44.954 -0.818 19974 1196 1 2 . 1 1 64 64 GLY H H 64 8.618 8.618 8.646 -0.028 19974 1197 1 2 . 1 1 65 65 VAL N N 65 120.490 120.490 125.423 -4.933 19974 1198 1 2 . 1 1 65 65 VAL HA H 65 4.814 4.814 4.589 0.225 19974 1199 1 2 . 1 1 65 65 VAL C C 65 172.610 172.610 174.412 -1.802 19974 1200 1 2 . 1 1 65 65 VAL CA C 65 60.890 60.890 61.922 -1.032 19974 1201 1 2 . 1 1 65 65 VAL CB C 65 35.570 35.570 34.266 1.304 19974 1202 1 2 . 1 1 65 65 VAL H H 65 9.053 9.053 9.166 -0.113 19974 1203 1 2 . 1 1 66 66 LEU N N 66 127.740 127.740 128.907 -1.167 19974 1204 1 2 . 1 1 66 66 LEU HA H 66 5.097 5.097 5.232 -0.135 19974 1205 1 2 . 1 1 66 66 LEU C C 66 175.120 175.120 175.024 0.096 19974 1206 1 2 . 1 1 66 66 LEU CA C 66 51.870 51.870 53.523 -1.653 19974 1207 1 2 . 1 1 66 66 LEU CB C 66 47.520 47.520 45.975 1.545 19974 1208 1 2 . 1 1 66 66 LEU H H 66 9.245 9.245 9.409 -0.164 19974 1209 1 2 . 1 1 67 67 ILE N N 67 126.030 126.030 128.364 -2.334 19974 1210 1 2 . 1 1 67 67 ILE HA H 67 4.484 4.484 4.707 -0.223 19974 1211 1 2 . 1 1 67 67 ILE C C 67 173.290 173.290 174.970 -1.680 19974 1212 1 2 . 1 1 67 67 ILE CA C 67 61.090 61.090 60.644 0.446 19974 1213 1 2 . 1 1 67 67 ILE CB C 67 37.480 37.480 38.054 -0.574 19974 1214 1 2 . 1 1 67 67 ILE H H 67 8.974 8.974 8.902 0.072 19974 1215 1 2 . 1 1 68 68 TYR N N 68 129.400 129.400 130.331 -0.931 19974 1216 1 2 . 1 1 68 68 TYR HA H 68 4.887 4.887 5.271 -0.384 19974 1217 1 2 . 1 1 68 68 TYR C C 68 174.140 174.140 174.134 0.006 19974 1218 1 2 . 1 1 68 68 TYR CA C 68 56.990 56.990 57.576 -0.586 19974 1219 1 2 . 1 1 68 68 TYR CB C 68 40.790 40.790 39.763 1.027 19974 1220 1 2 . 1 1 68 68 TYR H H 68 8.999 8.999 8.885 0.114 19974 1221 1 2 . 1 1 69 69 VAL N N 69 126.790 126.790 128.100 -1.310 19974 1222 1 2 . 1 1 69 69 VAL HA H 69 4.401 4.401 4.773 -0.372 19974 1223 1 2 . 1 1 69 69 VAL C C 69 172.350 172.350 173.676 -1.326 19974 1224 1 2 . 1 1 69 69 VAL CA C 69 60.810 60.810 60.383 0.427 19974 1225 1 2 . 1 1 69 69 VAL CB C 69 34.360 34.360 35.458 -1.098 19974 1226 1 2 . 1 1 69 69 VAL H H 69 8.378 8.378 8.687 -0.309 19974 1227 1 2 . 1 1 70 70 ALA N N 70 129.770 129.770 129.722 0.048 19974 1228 1 2 . 1 1 70 70 ALA HA H 70 4.592 4.592 5.128 -0.536 19974 1229 1 2 . 1 1 70 70 ALA C C 70 177.620 177.620 177.987 -0.367 19974 1230 1 2 . 1 1 70 70 ALA CA C 70 49.210 49.210 50.110 -0.900 19974 1231 1 2 . 1 1 70 70 ALA CB C 70 17.470 17.470 19.294 -1.823 19974 1232 1 2 . 1 1 70 70 ALA H H 70 8.078 8.078 9.043 -0.965 19974 1233 1 2 . 1 1 71 71 VAL N N 71 120.880 120.880 119.266 1.614 19974 1234 1 2 . 1 1 71 71 VAL HA H 71 2.847 2.847 3.714 -0.867 19974 1235 1 2 . 1 1 71 71 VAL C C 71 178.310 178.310 176.435 1.875 19974 1236 1 2 . 1 1 71 71 VAL CA C 71 66.030 66.030 65.099 0.931 19974 1237 1 2 . 1 1 71 71 VAL CB C 71 32.110 32.110 31.701 0.409 19974 1238 1 2 . 1 1 71 71 VAL H H 71 8.597 8.597 8.878 -0.281 19974 1239 1 2 . 1 1 72 72 GLU N N 72 119.350 119.350 121.599 -2.249 19974 1240 1 2 . 1 1 72 72 GLU HA H 72 3.955 3.955 4.231 -0.276 19974 1241 1 2 . 1 1 72 72 GLU C C 72 177.650 177.650 178.028 -0.378 19974 1242 1 2 . 1 1 72 72 GLU CA C 72 59.260 59.260 58.632 0.628 19974 1243 1 2 . 1 1 72 72 GLU CB C 72 28.940 28.940 29.854 -0.914 19974 1244 1 2 . 1 1 72 72 GLU H H 72 9.107 9.107 8.251 0.856 19974 1245 1 2 . 1 1 73 73 ASP N N 73 115.250 115.250 117.623 -2.373 19974 1246 1 2 . 1 1 73 73 ASP HA H 73 4.544 4.544 4.730 -0.186 19974 1247 1 2 . 1 1 73 73 ASP C C 73 175.460 175.460 176.229 -0.769 19974 1248 1 2 . 1 1 73 73 ASP CA C 73 54.030 54.030 54.240 -0.210 19974 1249 1 2 . 1 1 73 73 ASP CB C 73 41.350 41.350 41.196 0.154 19974 1250 1 2 . 1 1 73 73 ASP H H 73 7.039 7.039 8.244 -1.205 19974 1251 1 2 . 1 1 74 74 LYS N N 74 115.850 115.850 117.860 -2.010 19974 1252 1 2 . 1 1 74 74 LYS HA H 74 3.502 3.502 4.061 -0.559 19974 1253 1 2 . 1 1 74 74 LYS C C 74 174.920 174.920 175.268 -0.348 19974 1254 1 2 . 1 1 74 74 LYS CA C 74 57.180 57.180 57.494 -0.314 19974 1255 1 2 . 1 1 74 74 LYS CB C 74 29.100 29.100 30.992 -1.892 19974 1256 1 2 . 1 1 74 74 LYS H H 74 8.012 8.012 8.093 -0.081 19974 1257 1 2 . 1 1 75 75 THR N N 75 111.710 111.710 116.405 -4.695 19974 1258 1 2 . 1 1 75 75 THR HA H 75 4.725 4.725 4.662 0.063 19974 1259 1 2 . 1 1 75 75 THR C C 75 172.150 172.150 173.139 -0.989 19974 1260 1 2 . 1 1 75 75 THR CA C 75 60.740 60.740 61.429 -0.689 19974 1261 1 2 . 1 1 75 75 THR CB C 75 70.900 70.900 70.277 0.623 19974 1262 1 2 . 1 1 75 75 THR H H 75 7.763 7.763 7.594 0.169 19974 1263 1 2 . 1 1 76 76 PHE N N 76 117.220 117.220 125.131 -7.911 19974 1264 1 2 . 1 1 76 76 PHE HA H 76 5.968 5.968 5.436 0.532 19974 1265 1 2 . 1 1 76 76 PHE C C 76 173.250 173.250 173.963 -0.713 19974 1266 1 2 . 1 1 76 76 PHE CA C 76 54.920 54.920 55.550 -0.630 19974 1267 1 2 . 1 1 76 76 PHE CB C 76 42.780 42.780 40.782 1.998 19974 1268 1 2 . 1 1 76 76 PHE H H 76 7.992 7.992 8.150 -0.158 19974 1269 1 2 . 1 1 77 77 VAL N N 77 120.030 120.030 121.645 -1.615 19974 1270 1 2 . 1 1 77 77 VAL HA H 77 4.015 4.015 4.536 -0.521 19974 1271 1 2 . 1 1 77 77 VAL C C 77 173.310 173.310 174.802 -1.492 19974 1272 1 2 . 1 1 77 77 VAL CA C 77 60.840 60.840 60.593 0.247 19974 1273 1 2 . 1 1 77 77 VAL CB C 77 37.410 37.410 36.272 1.138 19974 1274 1 2 . 1 1 77 77 VAL H H 77 9.447 9.447 9.175 0.272 19974 1275 1 2 . 1 1 78 78 ILE N N 78 125.240 125.240 125.370 -0.130 19974 1276 1 2 . 1 1 78 78 ILE HA H 78 4.433 4.433 4.956 -0.523 19974 1277 1 2 . 1 1 78 78 ILE C C 78 174.090 174.090 175.359 -1.269 19974 1278 1 2 . 1 1 78 78 ILE CA C 78 60.081 60.081 59.943 0.138 19974 1279 1 2 . 1 1 78 78 ILE CB C 78 38.340 38.340 40.312 -1.972 19974 1280 1 2 . 1 1 78 78 ILE H H 78 8.155 8.155 8.518 -0.363 19974 1281 1 2 . 1 1 79 79 TYR N N 79 130.130 130.130 129.414 0.716 19974 1282 1 2 . 1 1 79 79 TYR HA H 79 4.422 4.422 5.098 -0.676 19974 1283 1 2 . 1 1 79 79 TYR C C 79 172.740 172.740 173.927 -1.187 19974 1284 1 2 . 1 1 79 79 TYR CA C 79 57.390 57.390 57.132 0.258 19974 1285 1 2 . 1 1 79 79 TYR CB C 79 40.820 40.820 42.557 -1.738 19974 1286 1 2 . 1 1 79 79 TYR H H 79 9.328 9.328 9.233 0.095 19974 1287 1 2 . 1 1 80 80 GLY N N 80 114.140 114.140 113.106 1.034 19974 1288 1 2 . 1 1 80 80 GLY C C 80 171.090 171.090 172.718 -1.628 19974 1289 1 2 . 1 1 80 80 GLY CA C 80 42.860 42.860 43.641 -0.781 19974 1290 1 2 . 1 1 80 80 GLY H H 80 7.837 7.837 7.925 -0.088 19974 1291 1 2 . 1 1 81 81 ASP N N 81 115.660 115.660 120.827 -5.167 19974 1292 1 2 . 1 1 81 81 ASP HA H 81 4.248 4.248 4.412 -0.164 19974 1293 1 2 . 1 1 81 81 ASP C C 81 176.980 176.980 177.827 -0.847 19974 1294 1 2 . 1 1 81 81 ASP CA C 81 51.950 51.950 54.748 -2.798 19974 1295 1 2 . 1 1 81 81 ASP CB C 81 41.260 41.260 42.519 -1.259 19974 1296 1 2 . 1 1 81 81 ASP H H 81 7.633 7.633 8.617 -0.984 19974 1297 1 2 . 1 1 82 82 LYS N N 82 120.470 120.470 121.649 -1.179 19974 1298 1 2 . 1 1 82 82 LYS HA H 82 3.764 3.764 3.948 -0.184 19974 1299 1 2 . 1 1 82 82 LYS C C 82 176.350 176.350 178.815 -2.465 19974 1300 1 2 . 1 1 82 82 LYS CA C 82 59.290 59.290 59.844 -0.554 19974 1301 1 2 . 1 1 82 82 LYS CB C 82 33.720 33.720 32.470 1.250 19974 1302 1 2 . 1 1 82 82 LYS H H 82 9.212 9.212 8.770 0.442 19974 1303 1 2 . 1 1 83 83 GLY N N 83 105.260 105.260 106.465 -1.205 19974 1304 1 2 . 1 1 83 83 GLY C C 83 176.540 176.540 175.935 0.605 19974 1305 1 2 . 1 1 83 83 GLY CA C 83 46.260 46.260 46.739 -0.479 19974 1306 1 2 . 1 1 83 83 GLY H H 83 8.367 8.367 8.108 0.259 19974 1307 1 2 . 1 1 84 84 ILE N N 84 117.510 117.510 122.944 -5.434 19974 1308 1 2 . 1 1 84 84 ILE HA H 84 3.644 3.644 3.667 -0.023 19974 1309 1 2 . 1 1 84 84 ILE C C 84 177.010 177.010 177.443 -0.433 19974 1310 1 2 . 1 1 84 84 ILE CA C 84 63.636 63.636 65.094 -1.458 19974 1311 1 2 . 1 1 84 84 ILE CB C 84 38.820 38.820 38.062 0.758 19974 1312 1 2 . 1 1 84 84 ILE H H 84 7.040 7.040 7.503 -0.463 19974 1313 1 2 . 1 1 85 85 ASN N N 85 117.400 117.400 118.215 -0.815 19974 1314 1 2 . 1 1 85 85 ASN HA H 85 4.115 4.115 4.280 -0.165 19974 1315 1 2 . 1 1 85 85 ASN C C 85 176.600 176.600 177.065 -0.465 19974 1316 1 2 . 1 1 85 85 ASN CA C 85 55.840 55.840 55.923 -0.083 19974 1317 1 2 . 1 1 85 85 ASN CB C 85 37.720 37.720 38.140 -0.420 19974 1318 1 2 . 1 1 85 85 ASN H H 85 7.351 7.351 7.772 -0.421 19974 1319 1 2 . 1 1 86 86 ASP N N 86 115.890 115.890 118.682 -2.792 19974 1320 1 2 . 1 1 86 86 ASP HA H 86 4.391 4.391 4.563 -0.172 19974 1321 1 2 . 1 1 86 86 ASP C C 86 177.240 177.240 177.391 -0.151 19974 1322 1 2 . 1 1 86 86 ASP CA C 86 56.260 56.260 56.254 0.006 19974 1323 1 2 . 1 1 86 86 ASP CB C 86 41.200 41.200 41.200 0.000 19974 1324 1 2 . 1 1 86 86 ASP H H 86 8.377 8.377 8.274 0.103 19974 1325 1 2 . 1 1 87 87 VAL N N 87 109.640 109.640 117.907 -8.267 19974 1326 1 2 . 1 1 87 87 VAL HA H 87 4.473 4.473 4.114 0.359 19974 1327 1 2 . 1 1 87 87 VAL C C 87 175.780 175.780 175.394 0.386 19974 1328 1 2 . 1 1 87 87 VAL CA C 87 61.320 61.320 62.777 -1.457 19974 1329 1 2 . 1 1 87 87 VAL CB C 87 34.170 34.170 33.450 0.720 19974 1330 1 2 . 1 1 87 87 VAL H H 87 7.196 7.196 7.372 -0.176 19974 1331 1 2 . 1 1 88 88 VAL N N 88 113.200 113.200 112.907 0.293 19974 1332 1 2 . 1 1 88 88 VAL HA H 88 3.789 3.789 4.204 -0.415 19974 1333 1 2 . 1 1 88 88 VAL C C 88 175.760 175.760 174.004 1.756 19974 1334 1 2 . 1 1 88 88 VAL CA C 88 60.640 60.640 59.169 1.471 19974 1335 1 2 . 1 1 88 88 VAL CB C 88 32.970 32.970 33.427 -0.457 19974 1336 1 2 . 1 1 88 88 VAL H H 88 6.921 6.921 7.896 -0.975 19974 1337 1 2 . 1 1 89 89 SER N N 89 114.460 114.460 112.134 2.326 19974 1338 1 2 . 1 1 89 89 SER HA H 89 4.546 4.546 4.667 -0.121 19974 1339 1 2 . 1 1 89 89 SER C C 89 175.720 175.720 175.172 0.548 19974 1340 1 2 . 1 1 89 89 SER CA C 89 57.330 57.330 56.749 0.581 19974 1341 1 2 . 1 1 89 89 SER CB C 89 64.500 64.500 66.574 -2.074 19974 1342 1 2 . 1 1 89 89 SER H H 89 7.738 7.738 8.090 -0.352 19974 1343 1 2 . 1 1 90 90 ASP N N 90 120.250 120.250 121.645 -1.395 19974 1344 1 2 . 1 1 90 90 ASP HA H 90 4.361 4.361 4.405 -0.044 19974 1345 1 2 . 1 1 90 90 ASP C C 90 176.630 176.630 177.721 -1.091 19974 1346 1 2 . 1 1 90 90 ASP CA C 90 57.050 57.050 58.133 -1.083 19974 1347 1 2 . 1 1 90 90 ASP CB C 90 40.540 40.540 40.599 -0.059 19974 1348 1 2 . 1 1 90 90 ASP H H 90 8.687 8.687 8.873 -0.186 19974 1349 1 2 . 1 1 91 91 ASP N N 91 116.800 116.800 118.156 -1.356 19974 1350 1 2 . 1 1 91 91 ASP HA H 91 4.605 4.605 4.561 0.044 19974 1351 1 2 . 1 1 91 91 ASP C C 91 177.610 177.610 177.617 -0.007 19974 1352 1 2 . 1 1 91 91 ASP CA C 91 52.890 52.890 56.341 -3.451 19974 1353 1 2 . 1 1 91 91 ASP CB C 91 40.230 40.230 40.868 -0.638 19974 1354 1 2 . 1 1 91 91 ASP H H 91 8.250 8.250 8.096 0.154 19974 1355 1 2 . 1 1 92 92 PHE N N 92 122.130 122.130 121.496 0.634 19974 1356 1 2 . 1 1 92 92 PHE HA H 92 3.857 3.857 4.436 -0.579 19974 1357 1 2 . 1 1 92 92 PHE C C 92 177.040 177.040 176.333 0.707 19974 1358 1 2 . 1 1 92 92 PHE CA C 92 61.910 61.910 61.071 0.839 19974 1359 1 2 . 1 1 92 92 PHE CB C 92 40.696 40.696 39.977 0.719 19974 1360 1 2 . 1 1 92 92 PHE H H 92 7.564 7.564 7.857 -0.293 19974 1361 1 2 . 1 1 93 93 TRP N N 93 113.980 113.980 120.519 -6.539 19974 1362 1 2 . 1 1 93 93 TRP HA H 93 4.726 4.726 4.530 0.196 19974 1363 1 2 . 1 1 93 93 TRP C C 93 176.420 176.420 178.552 -2.132 19974 1364 1 2 . 1 1 93 93 TRP CA C 93 56.020 56.020 60.378 -4.358 19974 1365 1 2 . 1 1 93 93 TRP CB C 93 29.990 29.990 28.980 1.010 19974 1366 1 2 . 1 1 93 93 TRP H H 93 8.532 8.532 8.710 -0.178 19974 1367 1 2 . 1 1 94 94 ASP N N 94 122.120 122.120 119.467 2.653 19974 1368 1 2 . 1 1 94 94 ASP HA H 94 4.228 4.228 4.476 -0.248 19974 1369 1 2 . 1 1 94 94 ASP C C 94 178.550 178.550 178.697 -0.147 19974 1370 1 2 . 1 1 94 94 ASP CA C 94 59.120 59.120 57.933 1.187 19974 1371 1 2 . 1 1 94 94 ASP CB C 94 39.140 39.140 40.615 -1.475 19974 1372 1 2 . 1 1 94 94 ASP H H 94 7.904 7.904 8.848 -0.944 19974 1373 1 2 . 1 1 95 95 THR N N 95 111.200 111.200 112.430 -1.230 19974 1374 1 2 . 1 1 95 95 THR HA H 95 4.004 4.004 4.040 -0.036 19974 1375 1 2 . 1 1 95 95 THR C C 95 177.630 177.630 176.539 1.091 19974 1376 1 2 . 1 1 95 95 THR CA C 95 65.560 65.560 66.103 -0.543 19974 1377 1 2 . 1 1 95 95 THR CB C 95 68.230 68.230 68.815 -0.585 19974 1378 1 2 . 1 1 95 95 THR H H 95 8.559 8.559 7.646 0.913 19974 1379 1 2 . 1 1 96 96 THR N N 96 123.230 123.230 118.853 4.377 19974 1380 1 2 . 1 1 96 96 THR HA H 96 3.725 3.725 3.829 -0.104 19974 1381 1 2 . 1 1 96 96 THR C C 96 175.410 175.410 176.624 -1.214 19974 1382 1 2 . 1 1 96 96 THR CA C 96 68.286 68.286 66.992 1.294 19974 1383 1 2 . 1 1 96 96 THR CB C 96 68.200 68.200 68.474 -0.274 19974 1384 1 2 . 1 1 96 96 THR H H 96 7.991 7.991 7.462 0.529 19974 1385 1 2 . 1 1 97 97 ARG N N 97 119.960 119.960 120.737 -0.777 19974 1386 1 2 . 1 1 97 97 ARG HA H 97 3.829 3.829 4.007 -0.178 19974 1387 1 2 . 1 1 97 97 ARG C C 97 178.320 178.320 178.702 -0.382 19974 1388 1 2 . 1 1 97 97 ARG CA C 97 60.390 60.390 59.971 0.419 19974 1389 1 2 . 1 1 97 97 ARG CB C 97 29.870 29.870 30.134 -0.264 19974 1390 1 2 . 1 1 97 97 ARG H H 97 8.825 8.825 8.155 0.670 19974 1391 1 2 . 1 1 98 98 ASN N N 98 115.680 115.680 118.409 -2.729 19974 1392 1 2 . 1 1 98 98 ASN HA H 98 4.390 4.390 4.473 -0.083 19974 1393 1 2 . 1 1 98 98 ASN C C 98 176.620 176.620 177.345 -0.725 19974 1394 1 2 . 1 1 98 98 ASN CA C 98 56.050 56.050 56.760 -0.710 19974 1395 1 2 . 1 1 98 98 ASN CB C 98 38.220 38.220 38.576 -0.356 19974 1396 1 2 . 1 1 98 98 ASN H H 98 8.508 8.508 8.326 0.182 19974 1397 1 2 . 1 1 99 99 ALA N N 99 120.830 120.830 122.649 -1.819 19974 1398 1 2 . 1 1 99 99 ALA HA H 99 4.020 4.020 4.020 -0.000 19974 1399 1 2 . 1 1 99 99 ALA C C 99 179.800 179.800 179.727 0.073 19974 1400 1 2 . 1 1 99 99 ALA CA C 99 54.770 54.770 54.997 -0.227 19974 1401 1 2 . 1 1 99 99 ALA CB C 99 18.110 18.110 18.562 -0.452 19974 1402 1 2 . 1 1 99 99 ALA H H 99 7.447 7.447 7.980 -0.533 19974 1403 1 2 . 1 1 100 100 ILE N N 100 116.240 116.240 119.174 -2.934 19974 1404 1 2 . 1 1 100 100 ILE HA H 100 3.203 3.203 3.506 -0.303 19974 1405 1 2 . 1 1 100 100 ILE C C 100 178.050 178.050 177.444 0.606 19974 1406 1 2 . 1 1 100 100 ILE CA C 100 64.550 64.550 65.224 -0.673 19974 1407 1 2 . 1 1 100 100 ILE CB C 100 37.640 37.640 37.546 0.094 19974 1408 1 2 . 1 1 100 100 ILE H H 100 7.339 7.339 7.684 -0.345 19974 1409 1 2 . 1 1 101 101 GLN N N 101 118.750 118.750 120.075 -1.325 19974 1410 1 2 . 1 1 101 101 GLN HA H 101 3.917 3.917 3.756 0.161 19974 1411 1 2 . 1 1 101 101 GLN C C 101 177.870 177.870 178.655 -0.785 19974 1412 1 2 . 1 1 101 101 GLN CA C 101 59.200 59.200 59.502 -0.302 19974 1413 1 2 . 1 1 101 101 GLN CB C 101 28.860 28.860 28.931 -0.071 19974 1414 1 2 . 1 1 101 101 GLN H H 101 8.359 8.359 8.166 0.193 19974 1415 1 2 . 1 1 102 102 LEU N N 102 117.790 117.790 118.063 -0.273 19974 1416 1 2 . 1 1 102 102 LEU HA H 102 3.951 3.951 4.092 -0.141 19974 1417 1 2 . 1 1 102 102 LEU C C 102 179.550 179.550 179.010 0.540 19974 1418 1 2 . 1 1 102 102 LEU CA C 102 58.190 58.190 57.564 0.626 19974 1419 1 2 . 1 1 102 102 LEU CB C 102 42.320 42.320 41.790 0.530 19974 1420 1 2 . 1 1 102 102 LEU H H 102 8.119 8.119 8.337 -0.218 19974 1421 1 2 . 1 1 103 103 GLN N N 103 113.650 113.650 117.289 -3.639 19974 1422 1 2 . 1 1 103 103 GLN HA H 103 4.426 4.426 4.207 0.219 19974 1423 1 2 . 1 1 103 103 GLN C C 103 179.680 179.680 178.734 0.946 19974 1424 1 2 . 1 1 103 103 GLN CA C 103 56.550 56.550 57.953 -1.403 19974 1425 1 2 . 1 1 103 103 GLN CB C 103 27.480 27.480 29.080 -1.600 19974 1426 1 2 . 1 1 103 103 GLN H H 103 6.636 6.636 7.559 -0.923 19974 1427 1 2 . 1 1 104 104 PHE N N 104 123.740 123.740 121.454 2.286 19974 1428 1 2 . 1 1 104 104 PHE HA H 104 3.895 3.895 4.350 -0.455 19974 1429 1 2 . 1 1 104 104 PHE C C 104 180.130 180.130 177.797 2.333 19974 1430 1 2 . 1 1 104 104 PHE CA C 104 59.760 59.760 61.801 -2.041 19974 1431 1 2 . 1 1 104 104 PHE CB C 104 36.620 36.620 39.020 -2.400 19974 1432 1 2 . 1 1 104 104 PHE H H 104 9.161 9.161 8.912 0.249 19974 1433 1 2 . 1 1 105 105 LYS N N 105 119.280 119.280 117.518 1.762 19974 1434 1 2 . 1 1 105 105 LYS HA H 105 4.126 4.126 4.142 -0.016 19974 1435 1 2 . 1 1 105 105 LYS C C 105 177.290 177.290 178.020 -0.730 19974 1436 1 2 . 1 1 105 105 LYS CA C 105 58.913 58.913 58.658 0.255 19974 1437 1 2 . 1 1 105 105 LYS CB C 105 31.920 31.920 32.275 -0.355 19974 1438 1 2 . 1 1 105 105 LYS H H 105 8.519 8.519 8.397 0.122 19974 1439 1 2 . 1 1 106 106 GLN N N 106 114.530 114.530 115.795 -1.265 19974 1440 1 2 . 1 1 106 106 GLN HA H 106 4.415 4.415 4.300 0.115 19974 1441 1 2 . 1 1 106 106 GLN C C 106 175.450 175.450 176.760 -1.310 19974 1442 1 2 . 1 1 106 106 GLN CA C 106 54.850 54.850 56.338 -1.488 19974 1443 1 2 . 1 1 106 106 GLN CB C 106 30.010 30.010 30.044 -0.034 19974 1444 1 2 . 1 1 106 106 GLN H H 106 6.934 6.934 7.532 -0.598 19974 1445 1 2 . 1 1 107 107 GLY N N 107 106.800 106.800 106.602 0.198 19974 1446 1 2 . 1 1 107 107 GLY C C 107 173.140 173.140 173.947 -0.807 19974 1447 1 2 . 1 1 107 107 GLY CA C 107 44.930 44.930 44.416 0.514 19974 1448 1 2 . 1 1 107 107 GLY H H 107 7.722 7.722 8.089 -0.367 19974 1449 1 2 . 1 1 108 108 ASN N N 108 120.230 120.230 120.687 -0.457 19974 1450 1 2 . 1 1 108 108 ASN HA H 108 4.827 4.827 4.871 -0.044 19974 1451 1 2 . 1 1 108 108 ASN C C 108 174.820 174.820 175.050 -0.230 19974 1452 1 2 . 1 1 108 108 ASN CA C 108 50.520 50.520 49.866 0.654 19974 1453 1 2 . 1 1 108 108 ASN CB C 108 37.090 37.090 36.833 0.257 19974 1454 1 2 . 1 1 108 108 ASN H H 108 7.654 7.654 8.028 -0.374 19974 1455 1 2 . 1 1 109 109 PHE N N 109 122.130 122.130 121.236 0.894 19974 1456 1 2 . 1 1 109 109 PHE HA H 109 4.038 4.038 3.542 0.496 19974 1457 1 2 . 1 1 109 109 PHE C C 109 177.270 177.270 177.549 -0.279 19974 1458 1 2 . 1 1 109 109 PHE CA C 109 60.670 60.670 60.889 -0.219 19974 1459 1 2 . 1 1 109 109 PHE CB C 109 38.220 38.220 37.946 0.274 19974 1460 1 2 . 1 1 109 109 PHE H H 109 7.231 7.231 6.737 0.494 19974 1461 1 2 . 1 1 110 110 LYS N N 110 118.670 118.670 119.349 -0.679 19974 1462 1 2 . 1 1 110 110 LYS HA H 110 3.610 3.610 3.838 -0.228 19974 1463 1 2 . 1 1 110 110 LYS C C 110 177.680 177.680 178.592 -0.912 19974 1464 1 2 . 1 1 110 110 LYS CA C 110 60.050 60.050 60.145 -0.095 19974 1465 1 2 . 1 1 110 110 LYS CB C 110 29.680 29.680 31.804 -2.124 19974 1466 1 2 . 1 1 110 110 LYS H H 110 8.727 8.727 8.232 0.495 19974 1467 1 2 . 1 1 111 111 GLN N N 111 117.980 117.980 118.244 -0.264 19974 1468 1 2 . 1 1 111 111 GLN HA H 111 3.491 3.491 4.089 -0.598 19974 1469 1 2 . 1 1 111 111 GLN C C 111 177.640 177.640 178.299 -0.659 19974 1470 1 2 . 1 1 111 111 GLN CA C 111 57.530 57.530 58.780 -1.250 19974 1471 1 2 . 1 1 111 111 GLN CB C 111 28.460 28.460 28.325 0.136 19974 1472 1 2 . 1 1 111 111 GLN H H 111 8.442 8.442 7.823 0.619 19974 1473 1 2 . 1 1 112 112 GLY N N 112 103.740 103.740 107.788 -4.048 19974 1474 1 2 . 1 1 112 112 GLY C C 112 173.970 173.970 176.488 -2.518 19974 1475 1 2 . 1 1 112 112 GLY CA C 112 48.730 48.730 47.253 1.477 19974 1476 1 2 . 1 1 112 112 GLY H H 112 8.196 8.196 8.311 -0.115 19974 1477 1 2 . 1 1 113 113 LEU N N 113 119.640 119.640 122.732 -3.092 19974 1478 1 2 . 1 1 113 113 LEU HA H 113 3.868 3.868 4.079 -0.211 19974 1479 1 2 . 1 1 113 113 LEU C C 113 177.480 177.480 178.890 -1.410 19974 1480 1 2 . 1 1 113 113 LEU CA C 113 58.150 58.150 57.684 0.466 19974 1481 1 2 . 1 1 113 113 LEU CB C 113 41.920 41.920 42.108 -0.189 19974 1482 1 2 . 1 1 113 113 LEU H H 113 7.614 7.614 8.041 -0.427 19974 1483 1 2 . 1 1 114 114 VAL N N 114 118.510 118.510 121.172 -2.662 19974 1484 1 2 . 1 1 114 114 VAL HA H 114 3.269 3.269 3.463 -0.194 19974 1485 1 2 . 1 1 114 114 VAL C C 114 177.330 177.330 177.935 -0.605 19974 1486 1 2 . 1 1 114 114 VAL CA C 114 67.787 67.787 67.481 0.306 19974 1487 1 2 . 1 1 114 114 VAL CB C 114 31.600 31.600 31.477 0.123 19974 1488 1 2 . 1 1 114 114 VAL H H 114 8.284 8.284 8.535 -0.251 19974 1489 1 2 . 1 1 115 115 ASP N N 115 119.440 119.440 119.222 0.218 19974 1490 1 2 . 1 1 115 115 ASP HA H 115 4.261 4.261 4.353 -0.092 19974 1491 1 2 . 1 1 115 115 ASP C C 115 179.840 179.840 178.892 0.948 19974 1492 1 2 . 1 1 115 115 ASP CA C 115 56.950 56.950 57.402 -0.452 19974 1493 1 2 . 1 1 115 115 ASP CB C 115 39.840 39.840 40.090 -0.250 19974 1494 1 2 . 1 1 115 115 ASP H H 115 8.724 8.724 8.706 0.018 19974 1495 1 2 . 1 1 116 116 GLY N N 116 107.280 107.280 108.249 -0.969 19974 1496 1 2 . 1 1 116 116 GLY C C 116 174.130 174.130 176.312 -2.182 19974 1497 1 2 . 1 1 116 116 GLY CA C 116 47.190 47.190 46.917 0.273 19974 1498 1 2 . 1 1 116 116 GLY H H 116 8.370 8.370 8.025 0.345 19974 1499 1 2 . 1 1 117 117 ILE N N 117 123.350 123.350 122.936 0.414 19974 1500 1 2 . 1 1 117 117 ILE HA H 117 3.307 3.307 3.555 -0.248 19974 1501 1 2 . 1 1 117 117 ILE C C 117 176.750 176.750 177.649 -0.899 19974 1502 1 2 . 1 1 117 117 ILE CA C 117 66.168 66.168 65.670 0.498 19974 1503 1 2 . 1 1 117 117 ILE CB C 117 37.760 37.760 37.893 -0.133 19974 1504 1 2 . 1 1 117 117 ILE H H 117 8.573 8.573 8.180 0.393 19974 1505 1 2 . 1 1 118 118 GLU N N 118 119.220 119.220 120.002 -0.782 19974 1506 1 2 . 1 1 118 118 GLU HA H 118 4.003 4.003 3.853 0.150 19974 1507 1 2 . 1 1 118 118 GLU C C 118 180.600 180.600 179.184 1.416 19974 1508 1 2 . 1 1 118 118 GLU CA C 118 59.472 59.472 60.086 -0.614 19974 1509 1 2 . 1 1 118 118 GLU CB C 118 29.310 29.310 29.379 -0.069 19974 1510 1 2 . 1 1 118 118 GLU H H 118 7.998 7.998 8.384 -0.386 19974 1511 1 2 . 1 1 119 119 LYS N N 119 118.270 118.270 119.137 -0.867 19974 1512 1 2 . 1 1 119 119 LYS HA H 119 3.897 3.897 4.020 -0.123 19974 1513 1 2 . 1 1 119 119 LYS C C 119 179.040 179.040 178.918 0.122 19974 1514 1 2 . 1 1 119 119 LYS CA C 119 58.090 58.090 59.121 -1.031 19974 1515 1 2 . 1 1 119 119 LYS CB C 119 31.340 31.340 32.273 -0.933 19974 1516 1 2 . 1 1 119 119 LYS H H 119 7.846 7.846 8.155 -0.309 19974 1517 1 2 . 1 1 120 120 ALA N N 120 125.280 125.280 122.774 2.506 19974 1518 1 2 . 1 1 120 120 ALA HA H 120 4.195 4.195 3.934 0.261 19974 1519 1 2 . 1 1 120 120 ALA C C 120 180.230 180.230 179.415 0.815 19974 1520 1 2 . 1 1 120 120 ALA CA C 120 55.040 55.040 55.042 -0.002 19974 1521 1 2 . 1 1 120 120 ALA CB C 120 17.380 17.380 18.315 -0.935 19974 1522 1 2 . 1 1 120 120 ALA H H 120 9.092 9.092 7.873 1.219 19974 1523 1 2 . 1 1 121 121 GLY N N 121 104.130 104.130 106.987 -2.857 19974 1524 1 2 . 1 1 121 121 GLY C C 121 174.930 174.930 176.453 -1.523 19974 1525 1 2 . 1 1 121 121 GLY CA C 121 47.590 47.590 47.316 0.274 19974 1526 1 2 . 1 1 121 121 GLY H H 121 8.606 8.606 8.606 -0.000 19974 1527 1 2 . 1 1 122 122 MET N N 122 117.000 117.000 120.461 -3.461 19974 1528 1 2 . 1 1 122 122 MET HA H 122 4.183 4.183 4.222 -0.039 19974 1529 1 2 . 1 1 122 122 MET C C 122 178.500 178.500 178.510 -0.010 19974 1530 1 2 . 1 1 122 122 MET CA C 122 57.470 57.470 57.025 0.445 19974 1531 1 2 . 1 1 122 122 MET CB C 122 32.200 32.200 31.628 0.572 19974 1532 1 2 . 1 1 122 122 MET H H 122 7.284 7.284 8.130 -0.846 19974 1533 1 2 . 1 1 123 123 ALA N N 123 124.060 124.060 121.696 2.364 19974 1534 1 2 . 1 1 123 123 ALA HA H 123 4.076 4.076 4.288 -0.212 19974 1535 1 2 . 1 1 123 123 ALA C C 123 180.880 180.880 180.725 0.155 19974 1536 1 2 . 1 1 123 123 ALA CA C 123 54.760 54.760 54.625 0.135 19974 1537 1 2 . 1 1 123 123 ALA CB C 123 17.590 17.590 18.440 -0.850 19974 1538 1 2 . 1 1 123 123 ALA H H 123 8.308 8.308 7.688 0.620 19974 1539 1 2 . 1 1 124 124 LEU N N 124 117.060 117.060 120.672 -3.612 19974 1540 1 2 . 1 1 124 124 LEU HA H 124 4.270 4.270 4.268 0.002 19974 1541 1 2 . 1 1 124 124 LEU C C 124 179.170 179.170 179.039 0.131 19974 1542 1 2 . 1 1 124 124 LEU CA C 124 57.840 57.840 58.040 -0.200 19974 1543 1 2 . 1 1 124 124 LEU CB C 124 42.920 42.920 41.880 1.040 19974 1544 1 2 . 1 1 124 124 LEU H H 124 8.871 8.871 8.838 0.033 19974 1545 1 2 . 1 1 125 125 ALA N N 125 120.950 120.950 120.370 0.580 19974 1546 1 2 . 1 1 125 125 ALA HA H 125 3.956 3.956 4.437 -0.481 19974 1547 1 2 . 1 1 125 125 ALA C C 125 177.740 177.740 179.177 -1.437 19974 1548 1 2 . 1 1 125 125 ALA CA C 125 55.220 55.220 54.660 0.561 19974 1549 1 2 . 1 1 125 125 ALA CB C 125 19.180 19.180 18.363 0.817 19974 1550 1 2 . 1 1 125 125 ALA H H 125 7.829 7.829 8.551 -0.722 19974 1551 1 2 . 1 1 126 126 LYS N N 126 113.320 113.320 118.358 -5.038 19974 1552 1 2 . 1 1 126 126 LYS HA H 126 3.798 3.798 4.037 -0.239 19974 1553 1 2 . 1 1 126 126 LYS C C 126 176.550 176.550 178.073 -1.523 19974 1554 1 2 . 1 1 126 126 LYS CA C 126 58.490 58.490 58.780 -0.290 19974 1555 1 2 . 1 1 126 126 LYS CB C 126 32.620 32.620 32.530 0.090 19974 1556 1 2 . 1 1 126 126 LYS H H 126 6.971 6.971 7.636 -0.665 19974 1557 1 2 . 1 1 127 127 TYR N N 127 113.850 113.850 115.966 -2.116 19974 1558 1 2 . 1 1 127 127 TYR HA H 127 4.067 4.067 4.180 -0.113 19974 1559 1 2 . 1 1 127 127 TYR C C 127 174.390 174.390 176.348 -1.958 19974 1560 1 2 . 1 1 127 127 TYR CA C 127 58.770 58.770 59.977 -1.207 19974 1561 1 2 . 1 1 127 127 TYR CB C 127 41.930 41.930 39.278 2.652 19974 1562 1 2 . 1 1 127 127 TYR H H 127 6.817 6.817 7.622 -0.805 19974 1563 1 2 . 1 1 128 128 PHE N N 128 116.130 116.130 116.939 -0.809 19974 1564 1 2 . 1 1 128 128 PHE HA H 128 4.907 4.907 5.077 -0.170 19974 1565 1 2 . 1 1 128 128 PHE C C 128 172.450 172.450 173.966 -1.516 19974 1566 1 2 . 1 1 128 128 PHE CA C 128 55.003 55.003 54.430 0.573 19974 1567 1 2 . 1 1 128 128 PHE CB C 128 38.550 38.550 38.867 -0.318 19974 1568 1 2 . 1 1 128 128 PHE H H 128 8.688 8.688 8.477 0.211 19974 1569 1 2 . 1 1 129 129 PRO HA H 129 4.680 4.680 4.636 0.044 19974 1570 1 2 . 1 1 129 129 PRO C C 129 175.720 175.720 176.767 -1.047 19974 1571 1 2 . 1 1 129 129 PRO CA C 129 63.382 63.382 62.694 0.688 19974 1572 1 2 . 1 1 129 129 PRO CB C 129 31.810 31.810 32.401 -0.592 19974 1573 1 2 . 1 1 130 130 TRP N N 130 123.170 123.170 126.045 -2.875 19974 1574 1 2 . 1 1 130 130 TRP HA H 130 4.031 4.031 4.510 -0.479 19974 1575 1 2 . 1 1 130 130 TRP C C 130 175.310 175.310 175.152 0.158 19974 1576 1 2 . 1 1 130 130 TRP CA C 130 59.510 59.510 58.644 0.866 19974 1577 1 2 . 1 1 130 130 TRP CB C 130 29.300 29.300 30.425 -1.125 19974 1578 1 2 . 1 1 130 130 TRP H H 130 7.910 7.910 8.497 -0.587 19974 1579 1 2 . 1 1 131 131 LYS N N 131 127.060 127.060 125.314 1.746 19974 1580 1 2 . 1 1 131 131 LYS HA H 131 4.260 4.260 4.301 -0.041 19974 1581 1 2 . 1 1 131 131 LYS C C 131 174.450 174.450 176.111 -1.661 19974 1582 1 2 . 1 1 131 131 LYS CA C 131 53.240 53.240 54.264 -1.024 19974 1583 1 2 . 1 1 131 131 LYS CB C 131 35.250 35.250 34.440 0.810 19974 1584 1 2 . 1 1 131 131 LYS H H 131 8.097 8.097 7.461 0.636 19974 1585 1 2 . 1 1 132 132 LYS N N 132 116.250 116.250 121.846 -5.596 19974 1586 1 2 . 1 1 132 132 LYS HA H 132 3.398 3.398 3.319 0.079 19974 1587 1 2 . 1 1 132 132 LYS C C 132 176.550 176.550 176.454 0.096 19974 1588 1 2 . 1 1 132 132 LYS CA C 132 58.140 58.140 58.109 0.031 19974 1589 1 2 . 1 1 132 132 LYS CB C 132 31.880 31.880 32.102 -0.222 19974 1590 1 2 . 1 1 132 132 LYS H H 132 7.761 7.761 8.661 -0.900 19974 1591 1 2 . 1 1 133 133 ASP N N 133 116.600 116.600 116.082 0.518 19974 1592 1 2 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.545 -0.194 19974 1593 1 2 . 1 1 133 133 ASP C C 133 175.320 175.320 175.842 -0.522 19974 1594 1 2 . 1 1 133 133 ASP CA C 133 52.520 52.520 53.294 -0.774 19974 1595 1 2 . 1 1 133 133 ASP CB C 133 38.720 38.720 40.107 -1.387 19974 1596 1 2 . 1 1 133 133 ASP H H 133 7.633 7.633 7.717 -0.084 19974 1597 1 2 . 1 1 134 134 ASP N N 134 119.140 119.140 121.581 -2.441 19974 1598 1 2 . 1 1 134 134 ASP HA H 134 3.989 3.989 4.339 -0.350 19974 1599 1 2 . 1 1 134 134 ASP C C 134 175.500 175.500 175.123 0.377 19974 1600 1 2 . 1 1 134 134 ASP CA C 134 56.410 56.410 55.250 1.160 19974 1601 1 2 . 1 1 134 134 ASP CB C 134 42.740 42.740 41.326 1.414 19974 1602 1 2 . 1 1 134 134 ASP H H 134 7.251 7.251 7.412 -0.161 19974 1603 1 2 . 1 1 135 135 ILE N N 135 123.230 123.230 119.317 3.913 19974 1604 1 2 . 1 1 135 135 ILE HA H 135 4.301 4.301 4.446 -0.145 19974 1605 1 2 . 1 1 135 135 ILE C C 135 176.300 176.300 174.857 1.443 19974 1606 1 2 . 1 1 135 135 ILE CA C 135 58.640 58.640 58.932 -0.292 19974 1607 1 2 . 1 1 135 135 ILE CB C 135 40.800 40.800 41.050 -0.250 19974 1608 1 2 . 1 1 135 135 ILE H H 135 8.351 8.351 7.956 0.395 19974 1609 1 2 . 1 1 136 136 ASP N N 136 131.670 131.670 124.648 7.022 19974 1610 1 2 . 1 1 136 136 ASP HA H 136 5.640 5.640 4.933 0.707 19974 1611 1 2 . 1 1 136 136 ASP C C 136 176.150 176.150 175.851 0.299 19974 1612 1 2 . 1 1 136 136 ASP CA C 136 52.560 52.560 52.912 -0.352 19974 1613 1 2 . 1 1 136 136 ASP CB C 136 38.180 38.180 40.675 -2.495 19974 1614 1 2 . 1 1 136 136 ASP H H 136 9.036 9.036 8.442 0.594 19974 1615 1 2 . 1 1 137 137 GLU N N 137 125.270 125.270 123.099 2.171 19974 1616 1 2 . 1 1 137 137 GLU HA H 137 3.735 3.735 4.184 -0.449 19974 1617 1 2 . 1 1 137 137 GLU C C 137 176.110 176.110 175.558 0.552 19974 1618 1 2 . 1 1 137 137 GLU CA C 137 59.490 59.490 57.818 1.672 19974 1619 1 2 . 1 1 137 137 GLU CB C 137 32.880 32.880 30.499 2.381 19974 1620 1 2 . 1 1 137 137 GLU H H 137 8.435 8.435 9.442 -1.007 19974 1621 1 2 . 1 1 138 138 LEU N N 138 117.210 117.210 120.012 -2.802 19974 1622 1 2 . 1 1 138 138 LEU HA H 138 4.960 4.960 4.693 0.267 19974 1623 1 2 . 1 1 138 138 LEU C C 138 173.560 173.560 174.654 -1.094 19974 1624 1 2 . 1 1 138 138 LEU CA C 138 50.310 50.310 51.848 -1.538 19974 1625 1 2 . 1 1 138 138 LEU CB C 138 41.350 41.350 44.022 -2.672 19974 1626 1 2 . 1 1 138 138 LEU H H 138 8.308 8.308 7.938 0.370 19974 1627 1 2 . 1 1 139 139 PRO HA H 139 4.335 4.335 4.598 -0.263 19974 1628 1 2 . 1 1 139 139 PRO C C 139 177.700 177.700 176.537 1.163 19974 1629 1 2 . 1 1 139 139 PRO CA C 139 62.550 62.550 62.240 0.310 19974 1630 1 2 . 1 1 139 139 PRO CB C 139 32.520 32.520 33.269 -0.749 19974 1631 1 2 . 1 1 140 140 ASN N N 140 120.930 120.930 117.140 3.790 19974 1632 1 2 . 1 1 140 140 ASN HA H 140 4.730 4.730 4.620 0.110 19974 1633 1 2 . 1 1 140 140 ASN C C 140 174.460 174.460 175.339 -0.879 19974 1634 1 2 . 1 1 140 140 ASN CA C 140 52.790 52.790 53.651 -0.861 19974 1635 1 2 . 1 1 140 140 ASN CB C 140 38.520 38.520 38.716 -0.196 19974 1636 1 2 . 1 1 140 140 ASN H H 140 9.213 9.213 8.609 0.604 19974 1637 1 2 . 1 1 141 141 THR N N 141 107.730 107.730 112.163 -4.433 19974 1638 1 2 . 1 1 141 141 THR HA H 141 3.853 3.853 4.306 -0.453 19974 1639 1 2 . 1 1 141 141 THR C C 141 176.410 176.410 174.560 1.850 19974 1640 1 2 . 1 1 141 141 THR CA C 141 61.560 61.560 61.622 -0.062 19974 1641 1 2 . 1 1 141 141 THR CB C 141 69.450 69.450 69.932 -0.482 19974 1642 1 2 . 1 1 141 141 THR H H 141 7.003 7.003 7.444 -0.441 19974 1643 1 2 . 1 1 142 142 ILE N N 142 129.530 129.530 120.928 8.602 19974 1644 1 2 . 1 1 142 142 ILE HA H 142 3.976 3.976 4.027 -0.051 19974 1645 1 2 . 1 1 142 142 ILE C C 142 176.020 176.020 175.977 0.043 19974 1646 1 2 . 1 1 142 142 ILE CA C 142 62.150 62.150 61.250 0.900 19974 1647 1 2 . 1 1 142 142 ILE CB C 142 37.890 37.890 38.546 -0.656 19974 1648 1 2 . 1 1 142 142 ILE H H 142 9.030 9.030 8.171 0.859 19974 1649 1 2 . 1 1 143 143 SER N N 143 124.630 124.630 122.168 2.462 19974 1650 1 2 . 1 1 143 143 SER HA H 143 4.481 4.481 4.726 -0.245 19974 1651 1 2 . 1 1 143 143 SER C C 143 172.920 172.920 172.481 0.439 19974 1652 1 2 . 1 1 143 143 SER CA C 143 57.120 57.120 57.115 0.005 19974 1653 1 2 . 1 1 143 143 SER CB C 143 60.710 60.710 64.848 -4.138 19974 1654 1 2 . 1 1 143 143 SER H H 143 8.709 8.709 8.442 0.267 19974 1655 1 2 . 1 1 144 144 LYS N N 144 126.170 126.170 122.812 3.358 19974 1656 1 2 . 1 1 144 144 LYS HA H 144 4.954 4.954 4.837 0.117 19974 1657 1 2 . 1 1 144 144 LYS C C 144 175.910 175.910 175.573 0.337 19974 1658 1 2 . 1 1 144 144 LYS CA C 144 54.580 54.580 54.715 -0.135 19974 1659 1 2 . 1 1 144 144 LYS CB C 144 35.170 35.170 36.804 -1.634 19974 1660 1 2 . 1 1 144 144 LYS H H 144 8.043 8.043 8.248 -0.205 19974 1661 1 3 . 1 1 3 3 LYS HA H 3 4.317 4.317 4.284 0.033 19974 1662 1 3 . 1 1 3 3 LYS C C 3 176.840 176.840 175.316 1.524 19974 1663 1 3 . 1 1 3 3 LYS CA C 3 56.180 56.180 56.861 -0.681 19974 1664 1 3 . 1 1 3 3 LYS CB C 3 33.030 33.030 33.018 0.012 19974 1665 1 3 . 1 1 4 4 ILE N N 4 122.990 122.990 113.844 9.146 19974 1666 1 3 . 1 1 4 4 ILE HA H 4 3.919 3.919 4.522 -0.604 19974 1667 1 3 . 1 1 4 4 ILE C C 4 176.120 176.120 174.795 1.325 19974 1668 1 3 . 1 1 4 4 ILE CA C 4 61.530 61.530 61.010 0.520 19974 1669 1 3 . 1 1 4 4 ILE CB C 4 38.040 38.040 39.780 -1.740 19974 1670 1 3 . 1 1 4 4 ILE H H 4 8.391 8.391 7.952 0.439 19974 1671 1 3 . 1 1 5 5 GLU N N 5 123.430 123.430 128.331 -4.901 19974 1672 1 3 . 1 1 5 5 GLU HA H 5 4.116 4.116 4.275 -0.159 19974 1673 1 3 . 1 1 5 5 GLU C C 5 175.830 175.830 176.275 -0.445 19974 1674 1 3 . 1 1 5 5 GLU CA C 5 56.900 56.900 56.478 0.422 19974 1675 1 3 . 1 1 5 5 GLU CB C 5 29.350 29.350 27.742 1.608 19974 1676 1 3 . 1 1 5 5 GLU H H 5 8.508 8.508 8.774 -0.266 19974 1677 1 3 . 1 1 6 6 GLU N N 6 119.490 119.490 115.808 3.682 19974 1678 1 3 . 1 1 6 6 GLU HA H 6 4.128 4.128 3.959 0.169 19974 1679 1 3 . 1 1 6 6 GLU C C 6 176.270 176.270 176.140 0.130 19974 1680 1 3 . 1 1 6 6 GLU CA C 6 55.700 55.700 58.291 -2.591 19974 1681 1 3 . 1 1 6 6 GLU CB C 6 30.190 30.190 27.840 2.350 19974 1682 1 3 . 1 1 6 6 GLU H H 6 7.843 7.843 8.162 -0.319 19974 1683 1 3 . 1 1 7 7 PHE N N 7 121.090 121.090 119.089 2.001 19974 1684 1 3 . 1 1 7 7 PHE HA H 7 4.284 4.284 4.234 0.050 19974 1685 1 3 . 1 1 7 7 PHE C C 7 174.810 174.810 174.957 -0.147 19974 1686 1 3 . 1 1 7 7 PHE CA C 7 59.660 59.660 59.969 -0.309 19974 1687 1 3 . 1 1 7 7 PHE CB C 7 39.990 39.990 39.472 0.518 19974 1688 1 3 . 1 1 7 7 PHE H H 7 8.092 8.092 8.194 -0.102 19974 1689 1 3 . 1 1 8 8 LEU N N 8 116.700 116.700 117.342 -0.642 19974 1690 1 3 . 1 1 8 8 LEU HA H 8 4.792 4.792 4.725 0.067 19974 1691 1 3 . 1 1 8 8 LEU C C 8 176.940 176.940 176.331 0.609 19974 1692 1 3 . 1 1 8 8 LEU CA C 8 52.730 52.730 52.480 0.250 19974 1693 1 3 . 1 1 8 8 LEU CB C 8 45.650 45.650 45.156 0.494 19974 1694 1 3 . 1 1 8 8 LEU H H 8 7.721 7.721 7.672 0.049 19974 1695 1 3 . 1 1 9 9 THR N N 9 113.700 113.700 115.735 -2.035 19974 1696 1 3 . 1 1 9 9 THR HA H 9 4.397 4.397 4.411 -0.014 19974 1697 1 3 . 1 1 9 9 THR C C 9 175.410 175.410 176.025 -0.615 19974 1698 1 3 . 1 1 9 9 THR CA C 9 60.650 60.650 60.718 -0.068 19974 1699 1 3 . 1 1 9 9 THR CB C 9 70.800 70.800 71.503 -0.703 19974 1700 1 3 . 1 1 9 9 THR H H 9 9.224 9.224 8.857 0.367 19974 1701 1 3 . 1 1 10 10 ALA N N 10 123.350 123.350 127.072 -3.722 19974 1702 1 3 . 1 1 10 10 ALA HA H 10 4.036 4.036 4.029 0.007 19974 1703 1 3 . 1 1 10 10 ALA C C 10 181.050 181.050 179.519 1.531 19974 1704 1 3 . 1 1 10 10 ALA CA C 10 55.500 55.500 55.408 0.092 19974 1705 1 3 . 1 1 10 10 ALA CB C 10 17.914 17.914 18.507 -0.593 19974 1706 1 3 . 1 1 10 10 ALA H H 10 8.881 8.881 8.806 0.075 19974 1707 1 3 . 1 1 11 11 GLU N N 11 117.680 117.680 118.427 -0.747 19974 1708 1 3 . 1 1 11 11 GLU HA H 11 3.949 3.949 3.987 -0.038 19974 1709 1 3 . 1 1 11 11 GLU C C 11 179.500 179.500 178.694 0.806 19974 1710 1 3 . 1 1 11 11 GLU CA C 11 59.490 59.490 59.541 -0.051 19974 1711 1 3 . 1 1 11 11 GLU CB C 11 29.120 29.120 29.392 -0.272 19974 1712 1 3 . 1 1 11 11 GLU H H 11 8.460 8.460 8.538 -0.078 19974 1713 1 3 . 1 1 12 12 GLU N N 12 121.860 121.860 119.456 2.404 19974 1714 1 3 . 1 1 12 12 GLU HA H 12 3.818 3.818 4.000 -0.182 19974 1715 1 3 . 1 1 12 12 GLU C C 12 178.130 178.130 179.180 -1.050 19974 1716 1 3 . 1 1 12 12 GLU CA C 12 59.210 59.210 59.258 -0.048 19974 1717 1 3 . 1 1 12 12 GLU CB C 12 30.800 30.800 29.541 1.259 19974 1718 1 3 . 1 1 12 12 GLU H H 12 7.698 7.698 7.712 -0.014 19974 1719 1 3 . 1 1 13 13 GLU N N 13 118.170 118.170 119.103 -0.933 19974 1720 1 3 . 1 1 13 13 GLU HA H 13 3.640 3.640 4.050 -0.410 19974 1721 1 3 . 1 1 13 13 GLU C C 13 178.070 178.070 178.746 -0.676 19974 1722 1 3 . 1 1 13 13 GLU CA C 13 60.539 60.539 59.208 1.331 19974 1723 1 3 . 1 1 13 13 GLU CB C 13 29.130 29.130 29.559 -0.429 19974 1724 1 3 . 1 1 13 13 GLU H H 13 8.493 8.493 8.309 0.184 19974 1725 1 3 . 1 1 14 14 LYS N N 14 117.980 117.980 120.335 -2.355 19974 1726 1 3 . 1 1 14 14 LYS HA H 14 3.887 3.887 4.026 -0.139 19974 1727 1 3 . 1 1 14 14 LYS C C 14 177.420 177.420 178.759 -1.339 19974 1728 1 3 . 1 1 14 14 LYS CA C 14 59.350 59.350 59.331 0.019 19974 1729 1 3 . 1 1 14 14 LYS CB C 14 32.200 32.200 32.434 -0.234 19974 1730 1 3 . 1 1 14 14 LYS H H 14 7.650 7.650 8.070 -0.420 19974 1731 1 3 . 1 1 15 15 ALA N N 15 119.210 119.210 121.316 -2.106 19974 1732 1 3 . 1 1 15 15 ALA HA H 15 4.098 4.098 4.075 0.023 19974 1733 1 3 . 1 1 15 15 ALA C C 15 180.550 180.550 179.549 1.001 19974 1734 1 3 . 1 1 15 15 ALA CA C 15 54.600 54.600 55.068 -0.468 19974 1735 1 3 . 1 1 15 15 ALA CB C 15 17.790 17.790 18.450 -0.660 19974 1736 1 3 . 1 1 15 15 ALA H H 15 7.362 7.362 7.886 -0.524 19974 1737 1 3 . 1 1 16 16 ILE N N 16 119.990 119.990 119.124 0.866 19974 1738 1 3 . 1 1 16 16 ILE HA H 16 3.493 3.493 3.715 -0.222 19974 1739 1 3 . 1 1 16 16 ILE C C 16 176.510 176.510 177.503 -0.993 19974 1740 1 3 . 1 1 16 16 ILE CA C 16 65.072 65.072 64.099 0.973 19974 1741 1 3 . 1 1 16 16 ILE CB C 16 37.580 37.580 38.413 -0.833 19974 1742 1 3 . 1 1 16 16 ILE H H 16 7.592 7.592 7.449 0.143 19974 1743 1 3 . 1 1 17 17 VAL N N 17 121.520 121.520 121.183 0.337 19974 1744 1 3 . 1 1 17 17 VAL HA H 17 3.504 3.504 3.578 -0.074 19974 1745 1 3 . 1 1 17 17 VAL C C 17 178.620 178.620 178.011 0.609 19974 1746 1 3 . 1 1 17 17 VAL CA C 17 67.324 67.324 66.662 0.662 19974 1747 1 3 . 1 1 17 17 VAL CB C 17 31.350 31.350 31.499 -0.149 19974 1748 1 3 . 1 1 17 17 VAL H H 17 8.155 8.155 8.139 0.016 19974 1749 1 3 . 1 1 18 18 ASP N N 18 120.000 120.000 119.579 0.421 19974 1750 1 3 . 1 1 18 18 ASP HA H 18 4.223 4.223 4.301 -0.078 19974 1751 1 3 . 1 1 18 18 ASP C C 18 177.980 177.980 177.730 0.250 19974 1752 1 3 . 1 1 18 18 ASP CA C 18 57.050 57.050 57.273 -0.223 19974 1753 1 3 . 1 1 18 18 ASP CB C 18 39.410 39.410 40.836 -1.426 19974 1754 1 3 . 1 1 18 18 ASP H H 18 8.605 8.605 7.837 0.768 19974 1755 1 3 . 1 1 19 19 ALA N N 19 122.620 122.620 122.933 -0.313 19974 1756 1 3 . 1 1 19 19 ALA HA H 19 4.194 4.194 4.067 0.127 19974 1757 1 3 . 1 1 19 19 ALA C C 19 180.720 180.720 179.761 0.959 19974 1758 1 3 . 1 1 19 19 ALA CA C 19 54.970 54.970 55.005 -0.035 19974 1759 1 3 . 1 1 19 19 ALA CB C 19 17.850 17.850 18.578 -0.728 19974 1760 1 3 . 1 1 19 19 ALA H H 19 7.702 7.702 7.329 0.373 19974 1761 1 3 . 1 1 20 20 ILE N N 20 122.620 122.620 118.429 4.191 19974 1762 1 3 . 1 1 20 20 ILE HA H 20 3.309 3.309 3.575 -0.266 19974 1763 1 3 . 1 1 20 20 ILE C C 20 176.740 176.740 178.104 -1.364 19974 1764 1 3 . 1 1 20 20 ILE CA C 20 66.830 66.830 65.509 1.321 19974 1765 1 3 . 1 1 20 20 ILE CB C 20 38.140 38.140 37.679 0.461 19974 1766 1 3 . 1 1 20 20 ILE H H 20 8.234 8.234 7.847 0.387 19974 1767 1 3 . 1 1 21 21 ARG N N 21 119.660 119.660 119.438 0.222 19974 1768 1 3 . 1 1 21 21 ARG HA H 21 3.899 3.899 4.006 -0.107 19974 1769 1 3 . 1 1 21 21 ARG C C 21 179.540 179.540 178.582 0.958 19974 1770 1 3 . 1 1 21 21 ARG CA C 21 58.990 58.990 59.797 -0.807 19974 1771 1 3 . 1 1 21 21 ARG CB C 21 29.020 29.020 30.061 -1.040 19974 1772 1 3 . 1 1 21 21 ARG H H 21 8.212 8.212 7.534 0.678 19974 1773 1 3 . 1 1 22 22 ASP N N 22 118.640 118.640 118.906 -0.266 19974 1774 1 3 . 1 1 22 22 ASP HA H 22 4.239 4.239 4.508 -0.269 19974 1775 1 3 . 1 1 22 22 ASP C C 22 179.190 179.190 178.089 1.101 19974 1776 1 3 . 1 1 22 22 ASP CA C 22 57.270 57.270 56.667 0.603 19974 1777 1 3 . 1 1 22 22 ASP CB C 22 39.770 39.770 40.633 -0.863 19974 1778 1 3 . 1 1 22 22 ASP H H 22 8.137 8.137 7.887 0.250 19974 1779 1 3 . 1 1 23 23 ALA N N 23 126.120 126.120 122.729 3.391 19974 1780 1 3 . 1 1 23 23 ALA HA H 23 4.207 4.207 4.057 0.150 19974 1781 1 3 . 1 1 23 23 ALA C C 23 181.060 181.060 179.281 1.779 19974 1782 1 3 . 1 1 23 23 ALA CA C 23 55.430 55.430 54.978 0.452 19974 1783 1 3 . 1 1 23 23 ALA CB C 23 18.690 18.690 18.559 0.131 19974 1784 1 3 . 1 1 23 23 ALA H H 23 8.500 8.500 7.818 0.682 19974 1785 1 3 . 1 1 24 24 GLU N N 24 115.460 115.460 117.817 -2.357 19974 1786 1 3 . 1 1 24 24 GLU HA H 24 4.213 4.213 4.181 0.032 19974 1787 1 3 . 1 1 24 24 GLU C C 24 176.390 176.390 177.346 -0.956 19974 1788 1 3 . 1 1 24 24 GLU CA C 24 58.180 58.180 58.446 -0.266 19974 1789 1 3 . 1 1 24 24 GLU CB C 24 28.200 28.200 29.576 -1.376 19974 1790 1 3 . 1 1 24 24 GLU H H 24 8.451 8.451 7.976 0.475 19974 1791 1 3 . 1 1 25 25 LYS N N 25 115.790 115.790 116.413 -0.623 19974 1792 1 3 . 1 1 25 25 LYS HA H 25 3.739 3.739 4.192 -0.453 19974 1793 1 3 . 1 1 25 25 LYS C C 25 176.020 176.020 176.315 -0.295 19974 1794 1 3 . 1 1 25 25 LYS CA C 25 56.220 56.220 57.075 -0.855 19974 1795 1 3 . 1 1 25 25 LYS CB C 25 32.070 32.070 32.289 -0.220 19974 1796 1 3 . 1 1 25 25 LYS H H 25 7.083 7.083 7.296 -0.213 19974 1797 1 3 . 1 1 26 26 ASN N N 26 115.060 115.060 116.534 -1.474 19974 1798 1 3 . 1 1 26 26 ASN HA H 26 4.749 4.749 4.801 -0.052 19974 1799 1 3 . 1 1 26 26 ASN C C 26 174.280 174.280 174.273 0.007 19974 1800 1 3 . 1 1 26 26 ASN CA C 26 53.050 53.050 53.597 -0.547 19974 1801 1 3 . 1 1 26 26 ASN CB C 26 40.410 40.410 41.542 -1.132 19974 1802 1 3 . 1 1 26 26 ASN H H 26 7.931 7.931 8.066 -0.135 19974 1803 1 3 . 1 1 27 27 THR N N 27 113.430 113.430 113.026 0.404 19974 1804 1 3 . 1 1 27 27 THR HA H 27 5.507 5.507 5.111 0.396 19974 1805 1 3 . 1 1 27 27 THR C C 27 170.850 170.850 172.995 -2.145 19974 1806 1 3 . 1 1 27 27 THR CA C 27 57.130 57.130 60.197 -3.067 19974 1807 1 3 . 1 1 27 27 THR CB C 27 70.200 70.200 70.382 -0.182 19974 1808 1 3 . 1 1 27 27 THR H H 27 7.619 7.619 7.651 -0.032 19974 1809 1 3 . 1 1 28 28 SER N N 28 119.450 119.450 118.951 0.499 19974 1810 1 3 . 1 1 28 28 SER HA H 28 4.773 4.773 4.875 -0.102 19974 1811 1 3 . 1 1 28 28 SER C C 28 176.330 176.330 173.206 3.124 19974 1812 1 3 . 1 1 28 28 SER CA C 28 58.913 58.913 57.807 1.106 19974 1813 1 3 . 1 1 28 28 SER CB C 28 64.360 64.360 64.193 0.167 19974 1814 1 3 . 1 1 28 28 SER H H 28 7.706 7.706 8.423 -0.717 19974 1815 1 3 . 1 1 29 29 GLY N N 29 111.350 111.350 107.981 3.369 19974 1816 1 3 . 1 1 29 29 GLY C C 29 171.210 171.210 173.274 -2.064 19974 1817 1 3 . 1 1 29 29 GLY CA C 29 44.643 44.643 44.067 0.576 19974 1818 1 3 . 1 1 29 29 GLY H H 29 9.011 9.011 7.707 1.304 19974 1819 1 3 . 1 1 30 30 GLU N N 30 120.620 120.620 121.372 -0.752 19974 1820 1 3 . 1 1 30 30 GLU HA H 30 4.867 4.867 4.625 0.242 19974 1821 1 3 . 1 1 30 30 GLU C C 30 174.500 174.500 175.608 -1.108 19974 1822 1 3 . 1 1 30 30 GLU CA C 30 54.320 54.320 55.853 -1.533 19974 1823 1 3 . 1 1 30 30 GLU CB C 30 34.030 34.030 31.562 2.467 19974 1824 1 3 . 1 1 30 30 GLU H H 30 6.897 6.897 8.530 -1.633 19974 1825 1 3 . 1 1 31 31 ILE N N 31 121.650 121.650 124.155 -2.505 19974 1826 1 3 . 1 1 31 31 ILE HA H 31 5.171 5.171 4.672 0.499 19974 1827 1 3 . 1 1 31 31 ILE C C 31 175.550 175.550 174.562 0.988 19974 1828 1 3 . 1 1 31 31 ILE CA C 31 59.740 59.740 60.507 -0.766 19974 1829 1 3 . 1 1 31 31 ILE CB C 31 42.520 42.520 40.269 2.251 19974 1830 1 3 . 1 1 31 31 ILE H H 31 8.546 8.546 8.774 -0.228 19974 1831 1 3 . 1 1 32 32 ARG N N 32 121.690 121.690 125.243 -3.553 19974 1832 1 3 . 1 1 32 32 ARG HA H 32 4.951 4.951 4.830 0.121 19974 1833 1 3 . 1 1 32 32 ARG C C 32 173.740 173.740 173.527 0.213 19974 1834 1 3 . 1 1 32 32 ARG CA C 32 55.220 55.220 54.751 0.469 19974 1835 1 3 . 1 1 32 32 ARG CB C 32 34.720 34.720 35.267 -0.547 19974 1836 1 3 . 1 1 32 32 ARG H H 32 8.751 8.751 8.863 -0.112 19974 1837 1 3 . 1 1 33 33 VAL N N 33 120.770 120.770 122.404 -1.634 19974 1838 1 3 . 1 1 33 33 VAL HA H 33 4.972 4.972 4.545 0.427 19974 1839 1 3 . 1 1 33 33 VAL C C 33 173.790 173.790 173.228 0.562 19974 1840 1 3 . 1 1 33 33 VAL CA C 33 59.700 59.700 60.052 -0.352 19974 1841 1 3 . 1 1 33 33 VAL CB C 33 34.820 34.820 34.721 0.098 19974 1842 1 3 . 1 1 33 33 VAL H H 33 8.617 8.617 8.864 -0.247 19974 1843 1 3 . 1 1 34 34 HIS N N 34 125.000 125.000 127.556 -2.556 19974 1844 1 3 . 1 1 34 34 HIS HA H 34 5.743 5.743 5.338 0.405 19974 1845 1 3 . 1 1 34 34 HIS C C 34 172.790 172.790 172.755 0.035 19974 1846 1 3 . 1 1 34 34 HIS CA C 34 54.370 54.370 54.026 0.344 19974 1847 1 3 . 1 1 34 34 HIS CB C 34 36.840 36.840 33.420 3.420 19974 1848 1 3 . 1 1 34 34 HIS H H 34 8.552 8.552 9.182 -0.630 19974 1849 1 3 . 1 1 35 35 LEU N N 35 124.400 124.400 128.004 -3.604 19974 1850 1 3 . 1 1 35 35 LEU HA H 35 4.800 4.800 4.766 0.034 19974 1851 1 3 . 1 1 35 35 LEU C C 35 174.490 174.490 173.748 0.742 19974 1852 1 3 . 1 1 35 35 LEU CA C 35 52.190 52.190 53.764 -1.574 19974 1853 1 3 . 1 1 35 35 LEU CB C 35 44.880 44.880 45.172 -0.292 19974 1854 1 3 . 1 1 35 35 LEU H H 35 8.006 8.006 8.068 -0.062 19974 1855 1 3 . 1 1 36 36 GLU N N 36 116.112 116.112 125.019 -8.907 19974 1856 1 3 . 1 1 36 36 GLU HA H 36 4.573 4.573 4.683 -0.110 19974 1857 1 3 . 1 1 36 36 GLU C C 36 174.350 174.350 176.023 -1.673 19974 1858 1 3 . 1 1 36 36 GLU CA C 36 54.130 54.130 54.079 0.051 19974 1859 1 3 . 1 1 36 36 GLU CB C 36 31.960 31.960 33.599 -1.639 19974 1860 1 3 . 1 1 36 36 GLU H H 36 8.235 8.235 8.337 -0.102 19974 1861 1 3 . 1 1 37 37 LYS N N 37 121.210 121.210 123.139 -1.929 19974 1862 1 3 . 1 1 37 37 LYS HA H 37 3.731 3.731 4.036 -0.305 19974 1863 1 3 . 1 1 37 37 LYS C C 37 175.200 175.200 175.950 -0.750 19974 1864 1 3 . 1 1 37 37 LYS CA C 37 61.410 61.410 60.002 1.408 19974 1865 1 3 . 1 1 37 37 LYS CB C 37 33.090 33.090 33.153 -0.063 19974 1866 1 3 . 1 1 37 37 LYS H H 37 9.055 9.055 8.893 0.162 19974 1867 1 3 . 1 1 38 38 THR N N 38 107.310 107.310 110.457 -3.147 19974 1868 1 3 . 1 1 38 38 THR HA H 38 4.448 4.448 4.619 -0.171 19974 1869 1 3 . 1 1 38 38 THR C C 38 171.420 171.420 172.683 -1.263 19974 1870 1 3 . 1 1 38 38 THR CA C 38 59.530 59.530 60.726 -1.196 19974 1871 1 3 . 1 1 38 38 THR CB C 38 69.570 69.570 70.028 -0.457 19974 1872 1 3 . 1 1 38 38 THR H H 38 7.480 7.480 7.760 -0.280 19974 1873 1 3 . 1 1 39 39 SER N N 39 116.050 116.050 122.997 -6.947 19974 1874 1 3 . 1 1 39 39 SER HA H 39 4.641 4.641 4.792 -0.151 19974 1875 1 3 . 1 1 39 39 SER C C 39 175.590 175.590 174.733 0.857 19974 1876 1 3 . 1 1 39 39 SER CA C 39 57.340 57.340 57.539 -0.199 19974 1877 1 3 . 1 1 39 39 SER CB C 39 64.560 64.560 64.678 -0.118 19974 1878 1 3 . 1 1 39 39 SER H H 39 8.177 8.177 8.730 -0.553 19974 1879 1 3 . 1 1 40 40 GLU N N 40 124.630 124.630 124.813 -0.183 19974 1880 1 3 . 1 1 40 40 GLU HA H 40 4.118 4.118 4.234 -0.116 19974 1881 1 3 . 1 1 40 40 GLU C C 40 176.520 176.520 176.355 0.165 19974 1882 1 3 . 1 1 40 40 GLU CA C 40 58.100 58.100 57.648 0.452 19974 1883 1 3 . 1 1 40 40 GLU CB C 40 29.950 29.950 30.069 -0.119 19974 1884 1 3 . 1 1 40 40 GLU H H 40 8.905 8.905 8.842 0.063 19974 1885 1 3 . 1 1 41 41 ILE N N 41 113.290 113.290 115.014 -1.724 19974 1886 1 3 . 1 1 41 41 ILE HA H 41 4.460 4.460 4.531 -0.071 19974 1887 1 3 . 1 1 41 41 ILE C C 41 175.350 175.350 174.895 0.455 19974 1888 1 3 . 1 1 41 41 ILE CA C 41 59.490 59.490 58.849 0.641 19974 1889 1 3 . 1 1 41 41 ILE CB C 41 40.150 40.150 40.534 -0.384 19974 1890 1 3 . 1 1 41 41 ILE H H 41 7.446 7.446 7.493 -0.047 19974 1891 1 3 . 1 1 42 42 ASP N N 42 122.230 122.230 122.223 0.007 19974 1892 1 3 . 1 1 42 42 ASP HA H 42 4.280 4.280 4.686 -0.406 19974 1893 1 3 . 1 1 42 42 ASP C C 42 177.430 177.430 177.548 -0.118 19974 1894 1 3 . 1 1 42 42 ASP CA C 42 55.360 55.360 54.823 0.537 19974 1895 1 3 . 1 1 42 42 ASP CB C 42 42.690 42.690 41.473 1.217 19974 1896 1 3 . 1 1 42 42 ASP H H 42 8.271 8.271 8.478 -0.207 19974 1897 1 3 . 1 1 43 43 VAL N N 43 122.150 122.150 122.469 -0.319 19974 1898 1 3 . 1 1 43 43 VAL HA H 43 3.569 3.569 3.513 0.056 19974 1899 1 3 . 1 1 43 43 VAL C C 43 175.780 175.780 176.990 -1.210 19974 1900 1 3 . 1 1 43 43 VAL CA C 43 65.420 65.420 65.276 0.144 19974 1901 1 3 . 1 1 43 43 VAL CB C 43 31.300 31.300 31.951 -0.651 19974 1902 1 3 . 1 1 43 43 VAL H H 43 8.160 8.160 8.451 -0.291 19974 1903 1 3 . 1 1 44 44 PHE N N 44 121.770 121.770 120.518 1.252 19974 1904 1 3 . 1 1 44 44 PHE HA H 44 3.892 3.892 4.004 -0.112 19974 1905 1 3 . 1 1 44 44 PHE C C 44 177.140 177.140 176.165 0.975 19974 1906 1 3 . 1 1 44 44 PHE CA C 44 62.190 62.190 61.802 0.388 19974 1907 1 3 . 1 1 44 44 PHE CB C 44 38.350 38.350 38.447 -0.097 19974 1908 1 3 . 1 1 44 44 PHE H H 44 8.101 8.101 8.111 -0.010 19974 1909 1 3 . 1 1 45 45 ASP N N 45 119.540 119.540 118.570 0.970 19974 1910 1 3 . 1 1 45 45 ASP HA H 45 4.106 4.106 4.175 -0.069 19974 1911 1 3 . 1 1 45 45 ASP C C 45 178.380 178.380 178.430 -0.050 19974 1912 1 3 . 1 1 45 45 ASP CA C 45 57.010 57.010 57.566 -0.555 19974 1913 1 3 . 1 1 45 45 ASP CB C 45 37.900 37.900 40.099 -2.199 19974 1914 1 3 . 1 1 45 45 ASP H H 45 7.317 7.317 8.407 -1.090 19974 1915 1 3 . 1 1 46 46 ARG N N 46 119.920 119.920 120.412 -0.492 19974 1916 1 3 . 1 1 46 46 ARG HA H 46 3.733 3.733 3.834 -0.101 19974 1917 1 3 . 1 1 46 46 ARG C C 46 176.750 176.750 177.999 -1.249 19974 1918 1 3 . 1 1 46 46 ARG CA C 46 57.136 57.136 59.280 -2.144 19974 1919 1 3 . 1 1 46 46 ARG CB C 46 28.590 28.590 30.097 -1.507 19974 1920 1 3 . 1 1 46 46 ARG H H 46 8.246 8.246 8.169 0.077 19974 1921 1 3 . 1 1 47 47 ALA N N 47 120.910 120.910 121.220 -0.310 19974 1922 1 3 . 1 1 47 47 ALA HA H 47 3.048 3.048 3.820 -0.772 19974 1923 1 3 . 1 1 47 47 ALA C C 47 177.810 177.810 179.593 -1.783 19974 1924 1 3 . 1 1 47 47 ALA CA C 47 55.010 55.010 54.748 0.262 19974 1925 1 3 . 1 1 47 47 ALA CB C 47 17.400 17.400 17.717 -0.317 19974 1926 1 3 . 1 1 47 47 ALA H H 47 7.803 7.803 7.929 -0.126 19974 1927 1 3 . 1 1 48 48 MET N N 48 115.800 115.800 118.487 -2.687 19974 1928 1 3 . 1 1 48 48 MET HA H 48 2.568 2.568 3.819 -1.251 19974 1929 1 3 . 1 1 48 48 MET C C 48 177.790 177.790 177.882 -0.092 19974 1930 1 3 . 1 1 48 48 MET CA C 48 58.910 58.910 59.272 -0.362 19974 1931 1 3 . 1 1 48 48 MET CB C 48 32.750 32.750 32.296 0.454 19974 1932 1 3 . 1 1 48 48 MET H H 48 7.148 7.148 7.627 -0.479 19974 1933 1 3 . 1 1 49 49 ASP N N 49 121.130 121.130 120.210 0.920 19974 1934 1 3 . 1 1 49 49 ASP HA H 49 4.326 4.326 4.395 -0.069 19974 1935 1 3 . 1 1 49 49 ASP C C 49 178.960 178.960 179.204 -0.244 19974 1936 1 3 . 1 1 49 49 ASP CA C 49 57.330 57.330 57.587 -0.257 19974 1937 1 3 . 1 1 49 49 ASP CB C 49 40.180 40.180 40.610 -0.430 19974 1938 1 3 . 1 1 49 49 ASP H H 49 7.656 7.656 8.073 -0.417 19974 1939 1 3 . 1 1 50 50 VAL N N 50 122.030 122.030 120.244 1.786 19974 1940 1 3 . 1 1 50 50 VAL HA H 50 3.150 3.150 3.621 -0.471 19974 1941 1 3 . 1 1 50 50 VAL C C 50 176.610 176.610 177.775 -1.165 19974 1942 1 3 . 1 1 50 50 VAL CA C 50 66.980 66.980 66.405 0.575 19974 1943 1 3 . 1 1 50 50 VAL CB C 50 30.450 30.450 31.782 -1.332 19974 1944 1 3 . 1 1 50 50 VAL H H 50 8.506 8.506 8.349 0.157 19974 1945 1 3 . 1 1 51 51 PHE N N 51 120.010 120.010 120.927 -0.917 19974 1946 1 3 . 1 1 51 51 PHE HA H 51 3.701 3.701 4.141 -0.440 19974 1947 1 3 . 1 1 51 51 PHE C C 51 176.990 176.990 177.170 -0.180 19974 1948 1 3 . 1 1 51 51 PHE CA C 51 61.610 61.610 60.765 0.845 19974 1949 1 3 . 1 1 51 51 PHE CB C 51 39.350 39.350 38.995 0.354 19974 1950 1 3 . 1 1 51 51 PHE H H 51 8.236 8.236 8.131 0.105 19974 1951 1 3 . 1 1 52 52 HIS N N 52 114.400 114.400 116.148 -1.748 19974 1952 1 3 . 1 1 52 52 HIS HA H 52 4.322 4.322 4.070 0.252 19974 1953 1 3 . 1 1 52 52 HIS C C 52 179.389 179.389 177.605 1.784 19974 1954 1 3 . 1 1 52 52 HIS CA C 52 59.670 59.670 60.058 -0.388 19974 1955 1 3 . 1 1 52 52 HIS CB C 52 28.380 28.380 30.130 -1.750 19974 1956 1 3 . 1 1 52 52 HIS H H 52 7.595 7.595 8.223 -0.628 19974 1957 1 3 . 1 1 53 53 ASN N N 53 125.300 125.300 118.451 6.849 19974 1958 1 3 . 1 1 53 53 ASN HA H 53 4.346 4.346 4.538 -0.192 19974 1959 1 3 . 1 1 53 53 ASN C C 53 177.560 177.560 177.182 0.378 19974 1960 1 3 . 1 1 53 53 ASN CA C 53 56.260 56.260 55.147 1.113 19974 1961 1 3 . 1 1 53 53 ASN CB C 53 38.020 38.020 38.438 -0.418 19974 1962 1 3 . 1 1 53 53 ASN H H 53 9.216 9.216 8.064 1.152 19974 1963 1 3 . 1 1 54 54 LEU N N 54 117.070 117.070 118.010 -0.940 19974 1964 1 3 . 1 1 54 54 LEU HA H 54 4.114 4.114 4.309 -0.195 19974 1965 1 3 . 1 1 54 54 LEU C C 54 175.780 175.780 175.772 0.008 19974 1966 1 3 . 1 1 54 54 LEU CA C 54 54.400 54.400 54.868 -0.468 19974 1967 1 3 . 1 1 54 54 LEU CB C 54 42.810 42.810 42.089 0.721 19974 1968 1 3 . 1 1 54 54 LEU H H 54 8.270 8.270 7.720 0.550 19974 1969 1 3 . 1 1 55 55 LYS N N 55 116.580 116.580 116.545 0.035 19974 1970 1 3 . 1 1 55 55 LYS HA H 55 3.954 3.954 3.805 0.149 19974 1971 1 3 . 1 1 55 55 LYS C C 55 177.650 177.650 177.344 0.306 19974 1972 1 3 . 1 1 55 55 LYS CA C 55 56.630 56.630 57.241 -0.611 19974 1973 1 3 . 1 1 55 55 LYS CB C 55 28.110 28.110 30.894 -2.784 19974 1974 1 3 . 1 1 55 55 LYS H H 55 7.953 7.953 7.385 0.568 19974 1975 1 3 . 1 1 56 56 MET N N 56 114.460 114.460 116.891 -2.431 19974 1976 1 3 . 1 1 56 56 MET HA H 56 3.624 3.624 4.076 -0.452 19974 1977 1 3 . 1 1 56 56 MET C C 56 174.010 174.010 176.944 -2.934 19974 1978 1 3 . 1 1 56 56 MET CA C 56 56.800 56.800 58.831 -2.031 19974 1979 1 3 . 1 1 56 56 MET CB C 56 28.620 28.620 32.151 -3.531 19974 1980 1 3 . 1 1 56 56 MET H H 56 7.496 7.496 7.433 0.063 19974 1981 1 3 . 1 1 57 57 ASP N N 57 113.610 113.610 118.107 -4.497 19974 1982 1 3 . 1 1 57 57 ASP HA H 57 4.490 4.490 4.531 -0.041 19974 1983 1 3 . 1 1 57 57 ASP C C 57 176.060 176.060 176.217 -0.157 19974 1984 1 3 . 1 1 57 57 ASP CA C 57 53.030 53.030 55.528 -2.498 19974 1985 1 3 . 1 1 57 57 ASP CB C 57 38.940 38.940 40.517 -1.577 19974 1986 1 3 . 1 1 57 57 ASP H H 57 8.921 8.921 7.709 1.212 19974 1987 1 3 . 1 1 58 58 ASN N N 58 119.880 119.880 118.962 0.918 19974 1988 1 3 . 1 1 58 58 ASN HA H 58 4.885 4.885 4.656 0.229 19974 1989 1 3 . 1 1 58 58 ASN C C 58 174.060 174.060 174.098 -0.038 19974 1990 1 3 . 1 1 58 58 ASN CA C 58 52.190 52.190 53.016 -0.826 19974 1991 1 3 . 1 1 58 58 ASN CB C 58 37.230 37.230 37.807 -0.577 19974 1992 1 3 . 1 1 58 58 ASN H H 58 7.070 7.070 7.350 -0.280 19974 1993 1 3 . 1 1 59 59 THR N N 59 108.570 108.570 113.023 -4.453 19974 1994 1 3 . 1 1 59 59 THR HA H 59 4.449 4.449 4.865 -0.416 19974 1995 1 3 . 1 1 59 59 THR C C 59 175.810 175.810 174.329 1.481 19974 1996 1 3 . 1 1 59 59 THR CA C 59 59.600 59.600 59.228 0.372 19974 1997 1 3 . 1 1 59 59 THR CB C 59 70.900 70.900 71.958 -1.058 19974 1998 1 3 . 1 1 59 59 THR H H 59 7.636 7.636 7.716 -0.080 19974 1999 1 3 . 1 1 60 60 LYS N N 60 126.400 126.400 123.920 2.480 19974 2000 1 3 . 1 1 60 60 LYS HA H 60 3.923 3.923 4.092 -0.169 19974 2001 1 3 . 1 1 60 60 LYS C C 60 179.030 179.030 177.666 1.364 19974 2002 1 3 . 1 1 60 60 LYS CA C 60 59.600 59.600 59.345 0.255 19974 2003 1 3 . 1 1 60 60 LYS CB C 60 32.480 32.480 32.582 -0.102 19974 2004 1 3 . 1 1 60 60 LYS H H 60 10.322 10.322 9.285 1.037 19974 2005 1 3 . 1 1 61 61 LEU N N 61 114.780 114.780 116.697 -1.917 19974 2006 1 3 . 1 1 61 61 LEU HA H 61 4.430 4.430 4.446 -0.016 19974 2007 1 3 . 1 1 61 61 LEU C C 61 175.660 175.660 175.938 -0.278 19974 2008 1 3 . 1 1 61 61 LEU CA C 61 52.830 52.830 54.275 -1.445 19974 2009 1 3 . 1 1 61 61 LEU CB C 61 40.470 40.470 42.399 -1.929 19974 2010 1 3 . 1 1 61 61 LEU H H 61 8.555 8.555 7.617 0.938 19974 2011 1 3 . 1 1 62 62 GLN N N 62 116.490 116.490 114.395 2.095 19974 2012 1 3 . 1 1 62 62 GLN HA H 62 3.715 3.715 3.897 -0.182 19974 2013 1 3 . 1 1 62 62 GLN C C 62 175.060 175.060 174.785 0.275 19974 2014 1 3 . 1 1 62 62 GLN CA C 62 56.440 56.440 56.681 -0.241 19974 2015 1 3 . 1 1 62 62 GLN CB C 62 26.480 26.480 25.903 0.577 19974 2016 1 3 . 1 1 62 62 GLN H H 62 7.526 7.526 7.799 -0.273 19974 2017 1 3 . 1 1 63 63 ASN N N 63 114.760 114.760 115.607 -0.847 19974 2018 1 3 . 1 1 63 63 ASN HA H 63 4.352 4.352 4.972 -0.620 19974 2019 1 3 . 1 1 63 63 ASN C C 63 173.790 173.790 175.210 -1.420 19974 2020 1 3 . 1 1 63 63 ASN CA C 63 50.680 50.680 52.323 -1.643 19974 2021 1 3 . 1 1 63 63 ASN CB C 63 35.110 35.110 39.298 -4.188 19974 2022 1 3 . 1 1 63 63 ASN H H 63 8.243 8.243 8.084 0.159 19974 2023 1 3 . 1 1 64 64 GLY N N 64 105.820 105.820 108.406 -2.586 19974 2024 1 3 . 1 1 64 64 GLY C C 64 172.650 172.650 173.240 -0.590 19974 2025 1 3 . 1 1 64 64 GLY CA C 64 44.136 44.136 45.365 -1.229 19974 2026 1 3 . 1 1 64 64 GLY H H 64 8.618 8.618 8.044 0.574 19974 2027 1 3 . 1 1 65 65 VAL N N 65 120.490 120.490 126.492 -6.002 19974 2028 1 3 . 1 1 65 65 VAL HA H 65 4.814 4.814 4.655 0.159 19974 2029 1 3 . 1 1 65 65 VAL C C 65 172.610 172.610 174.404 -1.794 19974 2030 1 3 . 1 1 65 65 VAL CA C 65 60.890 60.890 61.779 -0.889 19974 2031 1 3 . 1 1 65 65 VAL CB C 65 35.570 35.570 33.748 1.822 19974 2032 1 3 . 1 1 65 65 VAL H H 65 9.053 9.053 9.203 -0.150 19974 2033 1 3 . 1 1 66 66 LEU N N 66 127.740 127.740 128.716 -0.976 19974 2034 1 3 . 1 1 66 66 LEU HA H 66 5.097 5.097 5.275 -0.178 19974 2035 1 3 . 1 1 66 66 LEU C C 66 175.120 175.120 174.785 0.335 19974 2036 1 3 . 1 1 66 66 LEU CA C 66 51.870 51.870 53.036 -1.166 19974 2037 1 3 . 1 1 66 66 LEU CB C 66 47.520 47.520 45.915 1.605 19974 2038 1 3 . 1 1 66 66 LEU H H 66 9.245 9.245 8.920 0.325 19974 2039 1 3 . 1 1 67 67 ILE N N 67 126.030 126.030 127.275 -1.245 19974 2040 1 3 . 1 1 67 67 ILE HA H 67 4.484 4.484 4.710 -0.226 19974 2041 1 3 . 1 1 67 67 ILE C C 67 173.290 173.290 174.947 -1.657 19974 2042 1 3 . 1 1 67 67 ILE CA C 67 61.090 61.090 60.272 0.818 19974 2043 1 3 . 1 1 67 67 ILE CB C 67 37.480 37.480 37.925 -0.445 19974 2044 1 3 . 1 1 67 67 ILE H H 67 8.974 8.974 8.767 0.207 19974 2045 1 3 . 1 1 68 68 TYR N N 68 129.400 129.400 130.121 -0.721 19974 2046 1 3 . 1 1 68 68 TYR HA H 68 4.887 4.887 5.073 -0.186 19974 2047 1 3 . 1 1 68 68 TYR C C 68 174.140 174.140 174.006 0.134 19974 2048 1 3 . 1 1 68 68 TYR CA C 68 56.990 56.990 57.858 -0.868 19974 2049 1 3 . 1 1 68 68 TYR CB C 68 40.790 40.790 39.101 1.689 19974 2050 1 3 . 1 1 68 68 TYR H H 68 8.999 8.999 8.835 0.164 19974 2051 1 3 . 1 1 69 69 VAL N N 69 126.790 126.790 128.847 -2.057 19974 2052 1 3 . 1 1 69 69 VAL HA H 69 4.401 4.401 4.682 -0.281 19974 2053 1 3 . 1 1 69 69 VAL C C 69 172.350 172.350 173.687 -1.337 19974 2054 1 3 . 1 1 69 69 VAL CA C 69 60.810 60.810 60.651 0.159 19974 2055 1 3 . 1 1 69 69 VAL CB C 69 34.360 34.360 35.095 -0.735 19974 2056 1 3 . 1 1 69 69 VAL H H 69 8.378 8.378 8.945 -0.567 19974 2057 1 3 . 1 1 70 70 ALA N N 70 129.770 129.770 129.736 0.034 19974 2058 1 3 . 1 1 70 70 ALA HA H 70 4.592 4.592 5.409 -0.817 19974 2059 1 3 . 1 1 70 70 ALA C C 70 177.620 177.620 178.112 -0.492 19974 2060 1 3 . 1 1 70 70 ALA CA C 70 49.210 49.210 49.719 -0.509 19974 2061 1 3 . 1 1 70 70 ALA CB C 70 17.470 17.470 19.887 -2.417 19974 2062 1 3 . 1 1 70 70 ALA H H 70 8.078 8.078 8.812 -0.734 19974 2063 1 3 . 1 1 71 71 VAL N N 71 120.880 120.880 121.092 -0.212 19974 2064 1 3 . 1 1 71 71 VAL HA H 71 2.847 2.847 3.755 -0.908 19974 2065 1 3 . 1 1 71 71 VAL C C 71 178.310 178.310 176.621 1.689 19974 2066 1 3 . 1 1 71 71 VAL CA C 71 66.030 66.030 64.436 1.594 19974 2067 1 3 . 1 1 71 71 VAL CB C 71 32.110 32.110 31.576 0.534 19974 2068 1 3 . 1 1 71 71 VAL H H 71 8.597 8.597 8.273 0.324 19974 2069 1 3 . 1 1 72 72 GLU N N 72 119.350 119.350 120.056 -0.706 19974 2070 1 3 . 1 1 72 72 GLU HA H 72 3.955 3.955 4.246 -0.291 19974 2071 1 3 . 1 1 72 72 GLU C C 72 177.650 177.650 177.975 -0.325 19974 2072 1 3 . 1 1 72 72 GLU CA C 72 59.260 59.260 58.491 0.769 19974 2073 1 3 . 1 1 72 72 GLU CB C 72 28.940 28.940 29.600 -0.660 19974 2074 1 3 . 1 1 72 72 GLU H H 72 9.107 9.107 8.095 1.012 19974 2075 1 3 . 1 1 73 73 ASP N N 73 115.250 115.250 117.504 -2.254 19974 2076 1 3 . 1 1 73 73 ASP HA H 73 4.544 4.544 4.689 -0.145 19974 2077 1 3 . 1 1 73 73 ASP C C 73 175.460 175.460 176.300 -0.840 19974 2078 1 3 . 1 1 73 73 ASP CA C 73 54.030 54.030 54.261 -0.231 19974 2079 1 3 . 1 1 73 73 ASP CB C 73 41.350 41.350 41.278 0.072 19974 2080 1 3 . 1 1 73 73 ASP H H 73 7.039 7.039 8.051 -1.012 19974 2081 1 3 . 1 1 74 74 LYS N N 74 115.850 115.850 117.462 -1.612 19974 2082 1 3 . 1 1 74 74 LYS HA H 74 3.502 3.502 3.889 -0.387 19974 2083 1 3 . 1 1 74 74 LYS C C 74 174.920 174.920 175.393 -0.473 19974 2084 1 3 . 1 1 74 74 LYS CA C 74 57.180 57.180 57.322 -0.142 19974 2085 1 3 . 1 1 74 74 LYS CB C 74 29.100 29.100 30.508 -1.407 19974 2086 1 3 . 1 1 74 74 LYS H H 74 8.012 8.012 8.027 -0.015 19974 2087 1 3 . 1 1 75 75 THR N N 75 111.710 111.710 108.751 2.959 19974 2088 1 3 . 1 1 75 75 THR HA H 75 4.725 4.725 5.033 -0.308 19974 2089 1 3 . 1 1 75 75 THR C C 75 172.150 172.150 172.908 -0.758 19974 2090 1 3 . 1 1 75 75 THR CA C 75 60.740 60.740 60.088 0.652 19974 2091 1 3 . 1 1 75 75 THR CB C 75 70.900 70.900 71.613 -0.713 19974 2092 1 3 . 1 1 75 75 THR H H 75 7.763 7.763 7.849 -0.086 19974 2093 1 3 . 1 1 76 76 PHE N N 76 117.220 117.220 117.537 -0.317 19974 2094 1 3 . 1 1 76 76 PHE HA H 76 5.968 5.968 5.717 0.251 19974 2095 1 3 . 1 1 76 76 PHE C C 76 173.250 173.250 173.752 -0.502 19974 2096 1 3 . 1 1 76 76 PHE CA C 76 54.920 54.920 56.474 -1.554 19974 2097 1 3 . 1 1 76 76 PHE CB C 76 42.780 42.780 42.023 0.757 19974 2098 1 3 . 1 1 76 76 PHE H H 76 7.992 7.992 7.917 0.075 19974 2099 1 3 . 1 1 77 77 VAL N N 77 120.030 120.030 122.445 -2.415 19974 2100 1 3 . 1 1 77 77 VAL HA H 77 4.015 4.015 4.504 -0.489 19974 2101 1 3 . 1 1 77 77 VAL C C 77 173.310 173.310 174.408 -1.098 19974 2102 1 3 . 1 1 77 77 VAL CA C 77 60.840 60.840 61.209 -0.369 19974 2103 1 3 . 1 1 77 77 VAL CB C 77 37.410 37.410 35.857 1.553 19974 2104 1 3 . 1 1 77 77 VAL H H 77 9.447 9.447 9.328 0.119 19974 2105 1 3 . 1 1 78 78 ILE N N 78 125.240 125.240 125.719 -0.479 19974 2106 1 3 . 1 1 78 78 ILE HA H 78 4.433 4.433 4.928 -0.495 19974 2107 1 3 . 1 1 78 78 ILE C C 78 174.090 174.090 175.030 -0.940 19974 2108 1 3 . 1 1 78 78 ILE CA C 78 60.081 60.081 60.270 -0.189 19974 2109 1 3 . 1 1 78 78 ILE CB C 78 38.340 38.340 39.988 -1.648 19974 2110 1 3 . 1 1 78 78 ILE H H 78 8.155 8.155 8.460 -0.305 19974 2111 1 3 . 1 1 79 79 TYR N N 79 130.130 130.130 127.859 2.271 19974 2112 1 3 . 1 1 79 79 TYR HA H 79 4.422 4.422 4.847 -0.425 19974 2113 1 3 . 1 1 79 79 TYR C C 79 172.740 172.740 173.517 -0.777 19974 2114 1 3 . 1 1 79 79 TYR CA C 79 57.390 57.390 56.687 0.703 19974 2115 1 3 . 1 1 79 79 TYR CB C 79 40.820 40.820 43.106 -2.286 19974 2116 1 3 . 1 1 79 79 TYR H H 79 9.328 9.328 9.036 0.292 19974 2117 1 3 . 1 1 80 80 GLY N N 80 114.140 114.140 111.340 2.800 19974 2118 1 3 . 1 1 80 80 GLY C C 80 171.090 171.090 172.616 -1.526 19974 2119 1 3 . 1 1 80 80 GLY CA C 80 42.860 42.860 44.307 -1.447 19974 2120 1 3 . 1 1 80 80 GLY H H 80 7.837 7.837 7.389 0.448 19974 2121 1 3 . 1 1 81 81 ASP N N 81 115.660 115.660 120.368 -4.708 19974 2122 1 3 . 1 1 81 81 ASP HA H 81 4.248 4.248 4.705 -0.457 19974 2123 1 3 . 1 1 81 81 ASP C C 81 176.980 176.980 177.611 -0.631 19974 2124 1 3 . 1 1 81 81 ASP CA C 81 51.950 51.950 54.434 -2.484 19974 2125 1 3 . 1 1 81 81 ASP CB C 81 41.260 41.260 42.058 -0.798 19974 2126 1 3 . 1 1 81 81 ASP H H 81 7.633 7.633 8.721 -1.088 19974 2127 1 3 . 1 1 82 82 LYS N N 82 120.470 120.470 120.911 -0.441 19974 2128 1 3 . 1 1 82 82 LYS HA H 82 3.764 3.764 4.033 -0.269 19974 2129 1 3 . 1 1 82 82 LYS C C 82 176.350 176.350 178.998 -2.648 19974 2130 1 3 . 1 1 82 82 LYS CA C 82 59.290 59.290 59.815 -0.525 19974 2131 1 3 . 1 1 82 82 LYS CB C 82 33.720 33.720 32.462 1.258 19974 2132 1 3 . 1 1 82 82 LYS H H 82 9.212 9.212 8.972 0.240 19974 2133 1 3 . 1 1 83 83 GLY N N 83 105.260 105.260 108.126 -2.866 19974 2134 1 3 . 1 1 83 83 GLY C C 83 176.540 176.540 175.948 0.592 19974 2135 1 3 . 1 1 83 83 GLY CA C 83 46.260 46.260 46.973 -0.713 19974 2136 1 3 . 1 1 83 83 GLY H H 83 8.367 8.367 8.346 0.021 19974 2137 1 3 . 1 1 84 84 ILE N N 84 117.510 117.510 122.369 -4.859 19974 2138 1 3 . 1 1 84 84 ILE HA H 84 3.644 3.644 3.629 0.015 19974 2139 1 3 . 1 1 84 84 ILE C C 84 177.010 177.010 177.620 -0.610 19974 2140 1 3 . 1 1 84 84 ILE CA C 84 63.636 63.636 65.546 -1.910 19974 2141 1 3 . 1 1 84 84 ILE CB C 84 38.820 38.820 37.992 0.828 19974 2142 1 3 . 1 1 84 84 ILE H H 84 7.040 7.040 7.372 -0.332 19974 2143 1 3 . 1 1 85 85 ASN N N 85 117.400 117.400 117.949 -0.549 19974 2144 1 3 . 1 1 85 85 ASN HA H 85 4.115 4.115 4.319 -0.204 19974 2145 1 3 . 1 1 85 85 ASN C C 85 176.600 176.600 176.829 -0.229 19974 2146 1 3 . 1 1 85 85 ASN CA C 85 55.840 55.840 56.076 -0.236 19974 2147 1 3 . 1 1 85 85 ASN CB C 85 37.720 37.720 38.245 -0.524 19974 2148 1 3 . 1 1 85 85 ASN H H 85 7.351 7.351 7.996 -0.645 19974 2149 1 3 . 1 1 86 86 ASP N N 86 115.890 115.890 117.154 -1.264 19974 2150 1 3 . 1 1 86 86 ASP HA H 86 4.391 4.391 4.618 -0.227 19974 2151 1 3 . 1 1 86 86 ASP C C 86 177.240 177.240 177.462 -0.222 19974 2152 1 3 . 1 1 86 86 ASP CA C 86 56.260 56.260 55.480 0.780 19974 2153 1 3 . 1 1 86 86 ASP CB C 86 41.200 41.200 41.124 0.076 19974 2154 1 3 . 1 1 86 86 ASP H H 86 8.377 8.377 8.114 0.263 19974 2155 1 3 . 1 1 87 87 VAL N N 87 109.640 109.640 117.355 -7.715 19974 2156 1 3 . 1 1 87 87 VAL HA H 87 4.473 4.473 4.238 0.235 19974 2157 1 3 . 1 1 87 87 VAL C C 87 175.780 175.780 174.980 0.800 19974 2158 1 3 . 1 1 87 87 VAL CA C 87 61.320 61.320 62.202 -0.882 19974 2159 1 3 . 1 1 87 87 VAL CB C 87 34.170 34.170 33.671 0.499 19974 2160 1 3 . 1 1 87 87 VAL H H 87 7.196 7.196 7.492 -0.296 19974 2161 1 3 . 1 1 88 88 VAL N N 88 113.200 113.200 112.506 0.694 19974 2162 1 3 . 1 1 88 88 VAL HA H 88 3.789 3.789 4.157 -0.368 19974 2163 1 3 . 1 1 88 88 VAL C C 88 175.760 175.760 174.019 1.741 19974 2164 1 3 . 1 1 88 88 VAL CA C 88 60.640 60.640 59.191 1.449 19974 2165 1 3 . 1 1 88 88 VAL CB C 88 32.970 32.970 33.652 -0.682 19974 2166 1 3 . 1 1 88 88 VAL H H 88 6.921 6.921 7.825 -0.904 19974 2167 1 3 . 1 1 89 89 SER N N 89 114.460 114.460 113.749 0.711 19974 2168 1 3 . 1 1 89 89 SER HA H 89 4.546 4.546 4.772 -0.226 19974 2169 1 3 . 1 1 89 89 SER C C 89 175.720 175.720 174.949 0.771 19974 2170 1 3 . 1 1 89 89 SER CA C 89 57.330 57.330 56.397 0.933 19974 2171 1 3 . 1 1 89 89 SER CB C 89 64.500 64.500 66.517 -2.017 19974 2172 1 3 . 1 1 89 89 SER H H 89 7.738 7.738 8.152 -0.414 19974 2173 1 3 . 1 1 90 90 ASP N N 90 120.250 120.250 121.571 -1.321 19974 2174 1 3 . 1 1 90 90 ASP HA H 90 4.361 4.361 4.439 -0.078 19974 2175 1 3 . 1 1 90 90 ASP C C 90 176.630 176.630 177.990 -1.360 19974 2176 1 3 . 1 1 90 90 ASP CA C 90 57.050 57.050 57.547 -0.497 19974 2177 1 3 . 1 1 90 90 ASP CB C 90 40.540 40.540 40.612 -0.072 19974 2178 1 3 . 1 1 90 90 ASP H H 90 8.687 8.687 8.938 -0.251 19974 2179 1 3 . 1 1 91 91 ASP N N 91 116.800 116.800 118.336 -1.536 19974 2180 1 3 . 1 1 91 91 ASP HA H 91 4.605 4.605 4.514 0.091 19974 2181 1 3 . 1 1 91 91 ASP C C 91 177.610 177.610 178.319 -0.709 19974 2182 1 3 . 1 1 91 91 ASP CA C 91 52.890 52.890 56.847 -3.957 19974 2183 1 3 . 1 1 91 91 ASP CB C 91 40.230 40.230 40.828 -0.598 19974 2184 1 3 . 1 1 91 91 ASP H H 91 8.250 8.250 8.347 -0.097 19974 2185 1 3 . 1 1 92 92 PHE N N 92 122.130 122.130 121.228 0.902 19974 2186 1 3 . 1 1 92 92 PHE HA H 92 3.857 3.857 4.373 -0.516 19974 2187 1 3 . 1 1 92 92 PHE C C 92 177.040 177.040 176.896 0.144 19974 2188 1 3 . 1 1 92 92 PHE CA C 92 61.910 61.910 60.602 1.308 19974 2189 1 3 . 1 1 92 92 PHE CB C 92 40.696 40.696 39.554 1.142 19974 2190 1 3 . 1 1 92 92 PHE H H 92 7.564 7.564 7.783 -0.219 19974 2191 1 3 . 1 1 93 93 TRP N N 93 113.980 113.980 119.190 -5.210 19974 2192 1 3 . 1 1 93 93 TRP HA H 93 4.726 4.726 4.547 0.179 19974 2193 1 3 . 1 1 93 93 TRP C C 93 176.420 176.420 177.850 -1.430 19974 2194 1 3 . 1 1 93 93 TRP CA C 93 56.020 56.020 59.471 -3.451 19974 2195 1 3 . 1 1 93 93 TRP CB C 93 29.990 29.990 29.274 0.716 19974 2196 1 3 . 1 1 93 93 TRP H H 93 8.532 8.532 8.099 0.433 19974 2197 1 3 . 1 1 94 94 ASP N N 94 122.120 122.120 119.900 2.220 19974 2198 1 3 . 1 1 94 94 ASP HA H 94 4.228 4.228 4.465 -0.237 19974 2199 1 3 . 1 1 94 94 ASP C C 94 178.550 178.550 178.395 0.155 19974 2200 1 3 . 1 1 94 94 ASP CA C 94 59.120 59.120 57.693 1.427 19974 2201 1 3 . 1 1 94 94 ASP CB C 94 39.140 39.140 40.542 -1.402 19974 2202 1 3 . 1 1 94 94 ASP H H 94 7.904 7.904 8.480 -0.576 19974 2203 1 3 . 1 1 95 95 THR N N 95 111.200 111.200 116.178 -4.978 19974 2204 1 3 . 1 1 95 95 THR HA H 95 4.004 4.004 3.956 0.048 19974 2205 1 3 . 1 1 95 95 THR C C 95 177.630 177.630 176.437 1.193 19974 2206 1 3 . 1 1 95 95 THR CA C 95 65.560 65.560 66.447 -0.887 19974 2207 1 3 . 1 1 95 95 THR CB C 95 68.230 68.230 68.591 -0.361 19974 2208 1 3 . 1 1 95 95 THR H H 95 8.559 8.559 7.745 0.814 19974 2209 1 3 . 1 1 96 96 THR N N 96 123.230 123.230 118.368 4.862 19974 2210 1 3 . 1 1 96 96 THR HA H 96 3.725 3.725 3.789 -0.064 19974 2211 1 3 . 1 1 96 96 THR C C 96 175.410 175.410 176.232 -0.822 19974 2212 1 3 . 1 1 96 96 THR CA C 96 68.286 68.286 66.867 1.419 19974 2213 1 3 . 1 1 96 96 THR CB C 96 68.200 68.200 68.410 -0.210 19974 2214 1 3 . 1 1 96 96 THR H H 96 7.991 7.991 7.736 0.255 19974 2215 1 3 . 1 1 97 97 ARG N N 97 119.960 119.960 120.852 -0.892 19974 2216 1 3 . 1 1 97 97 ARG HA H 97 3.829 3.829 4.013 -0.184 19974 2217 1 3 . 1 1 97 97 ARG C C 97 178.320 178.320 178.750 -0.430 19974 2218 1 3 . 1 1 97 97 ARG CA C 97 60.390 60.390 59.844 0.546 19974 2219 1 3 . 1 1 97 97 ARG CB C 97 29.870 29.870 30.165 -0.295 19974 2220 1 3 . 1 1 97 97 ARG H H 97 8.825 8.825 7.782 1.043 19974 2221 1 3 . 1 1 98 98 ASN N N 98 115.680 115.680 118.226 -2.546 19974 2222 1 3 . 1 1 98 98 ASN HA H 98 4.390 4.390 4.462 -0.072 19974 2223 1 3 . 1 1 98 98 ASN C C 98 176.620 176.620 177.305 -0.685 19974 2224 1 3 . 1 1 98 98 ASN CA C 98 56.050 56.050 56.278 -0.228 19974 2225 1 3 . 1 1 98 98 ASN CB C 98 38.220 38.220 38.116 0.104 19974 2226 1 3 . 1 1 98 98 ASN H H 98 8.508 8.508 8.065 0.443 19974 2227 1 3 . 1 1 99 99 ALA N N 99 120.830 120.830 122.681 -1.851 19974 2228 1 3 . 1 1 99 99 ALA HA H 99 4.020 4.020 3.973 0.047 19974 2229 1 3 . 1 1 99 99 ALA C C 99 179.800 179.800 179.488 0.312 19974 2230 1 3 . 1 1 99 99 ALA CA C 99 54.770 54.770 55.028 -0.258 19974 2231 1 3 . 1 1 99 99 ALA CB C 99 18.110 18.110 18.539 -0.429 19974 2232 1 3 . 1 1 99 99 ALA H H 99 7.447 7.447 7.547 -0.100 19974 2233 1 3 . 1 1 100 100 ILE N N 100 116.240 116.240 119.083 -2.843 19974 2234 1 3 . 1 1 100 100 ILE HA H 100 3.203 3.203 3.568 -0.365 19974 2235 1 3 . 1 1 100 100 ILE C C 100 178.050 178.050 177.607 0.443 19974 2236 1 3 . 1 1 100 100 ILE CA C 100 64.550 64.550 64.952 -0.402 19974 2237 1 3 . 1 1 100 100 ILE CB C 100 37.640 37.640 37.346 0.294 19974 2238 1 3 . 1 1 100 100 ILE H H 100 7.339 7.339 7.350 -0.011 19974 2239 1 3 . 1 1 101 101 GLN N N 101 118.750 118.750 119.815 -1.065 19974 2240 1 3 . 1 1 101 101 GLN HA H 101 3.917 3.917 3.721 0.196 19974 2241 1 3 . 1 1 101 101 GLN C C 101 177.870 177.870 178.581 -0.711 19974 2242 1 3 . 1 1 101 101 GLN CA C 101 59.200 59.200 59.394 -0.194 19974 2243 1 3 . 1 1 101 101 GLN CB C 101 28.860 28.860 28.902 -0.042 19974 2244 1 3 . 1 1 101 101 GLN H H 101 8.359 8.359 8.137 0.222 19974 2245 1 3 . 1 1 102 102 LEU N N 102 117.790 117.790 119.221 -1.431 19974 2246 1 3 . 1 1 102 102 LEU HA H 102 3.951 3.951 4.029 -0.078 19974 2247 1 3 . 1 1 102 102 LEU C C 102 179.550 179.550 179.362 0.188 19974 2248 1 3 . 1 1 102 102 LEU CA C 102 58.190 58.190 58.310 -0.120 19974 2249 1 3 . 1 1 102 102 LEU CB C 102 42.320 42.320 41.635 0.685 19974 2250 1 3 . 1 1 102 102 LEU H H 102 8.119 8.119 8.198 -0.079 19974 2251 1 3 . 1 1 103 103 GLN N N 103 113.650 113.650 118.598 -4.948 19974 2252 1 3 . 1 1 103 103 GLN HA H 103 4.426 4.426 4.167 0.259 19974 2253 1 3 . 1 1 103 103 GLN C C 103 179.680 179.680 179.232 0.448 19974 2254 1 3 . 1 1 103 103 GLN CA C 103 56.550 56.550 58.395 -1.845 19974 2255 1 3 . 1 1 103 103 GLN CB C 103 27.480 27.480 28.339 -0.859 19974 2256 1 3 . 1 1 103 103 GLN H H 103 6.636 6.636 7.792 -1.156 19974 2257 1 3 . 1 1 104 104 PHE N N 104 123.740 123.740 120.798 2.942 19974 2258 1 3 . 1 1 104 104 PHE HA H 104 3.895 3.895 4.378 -0.483 19974 2259 1 3 . 1 1 104 104 PHE C C 104 180.130 180.130 178.001 2.129 19974 2260 1 3 . 1 1 104 104 PHE CA C 104 59.760 59.760 61.227 -1.467 19974 2261 1 3 . 1 1 104 104 PHE CB C 104 36.620 36.620 38.731 -2.111 19974 2262 1 3 . 1 1 104 104 PHE H H 104 9.161 9.161 8.790 0.371 19974 2263 1 3 . 1 1 105 105 LYS N N 105 119.280 119.280 118.605 0.675 19974 2264 1 3 . 1 1 105 105 LYS HA H 105 4.126 4.126 4.079 0.047 19974 2265 1 3 . 1 1 105 105 LYS C C 105 177.290 177.290 178.848 -1.558 19974 2266 1 3 . 1 1 105 105 LYS CA C 105 58.913 58.913 59.067 -0.154 19974 2267 1 3 . 1 1 105 105 LYS CB C 105 31.920 31.920 32.283 -0.363 19974 2268 1 3 . 1 1 105 105 LYS H H 105 8.519 8.519 8.328 0.191 19974 2269 1 3 . 1 1 106 106 GLN N N 106 114.530 114.530 116.170 -1.640 19974 2270 1 3 . 1 1 106 106 GLN HA H 106 4.415 4.415 4.157 0.258 19974 2271 1 3 . 1 1 106 106 GLN C C 106 175.450 175.450 177.412 -1.962 19974 2272 1 3 . 1 1 106 106 GLN CA C 106 54.850 54.850 57.535 -2.686 19974 2273 1 3 . 1 1 106 106 GLN CB C 106 30.010 30.010 29.720 0.290 19974 2274 1 3 . 1 1 106 106 GLN H H 106 6.934 6.934 7.790 -0.856 19974 2275 1 3 . 1 1 107 107 GLY N N 107 106.800 106.800 105.485 1.315 19974 2276 1 3 . 1 1 107 107 GLY C C 107 173.140 173.140 173.725 -0.585 19974 2277 1 3 . 1 1 107 107 GLY CA C 107 44.930 44.930 44.382 0.548 19974 2278 1 3 . 1 1 107 107 GLY H H 107 7.722 7.722 8.268 -0.546 19974 2279 1 3 . 1 1 108 108 ASN N N 108 120.230 120.230 120.705 -0.475 19974 2280 1 3 . 1 1 108 108 ASN HA H 108 4.827 4.827 4.820 0.007 19974 2281 1 3 . 1 1 108 108 ASN C C 108 174.820 174.820 174.374 0.446 19974 2282 1 3 . 1 1 108 108 ASN CA C 108 50.520 50.520 50.546 -0.026 19974 2283 1 3 . 1 1 108 108 ASN CB C 108 37.090 37.090 37.673 -0.583 19974 2284 1 3 . 1 1 108 108 ASN H H 108 7.654 7.654 8.192 -0.538 19974 2285 1 3 . 1 1 109 109 PHE N N 109 122.130 122.130 122.729 -0.599 19974 2286 1 3 . 1 1 109 109 PHE HA H 109 4.038 4.038 3.830 0.208 19974 2287 1 3 . 1 1 109 109 PHE C C 109 177.270 177.270 177.455 -0.185 19974 2288 1 3 . 1 1 109 109 PHE CA C 109 60.670 60.670 60.737 -0.067 19974 2289 1 3 . 1 1 109 109 PHE CB C 109 38.220 38.220 38.292 -0.072 19974 2290 1 3 . 1 1 109 109 PHE H H 109 7.231 7.231 7.503 -0.272 19974 2291 1 3 . 1 1 110 110 LYS N N 110 118.670 118.670 120.168 -1.498 19974 2292 1 3 . 1 1 110 110 LYS HA H 110 3.610 3.610 3.849 -0.239 19974 2293 1 3 . 1 1 110 110 LYS C C 110 177.680 177.680 178.533 -0.853 19974 2294 1 3 . 1 1 110 110 LYS CA C 110 60.050 60.050 60.145 -0.095 19974 2295 1 3 . 1 1 110 110 LYS CB C 110 29.680 29.680 31.611 -1.931 19974 2296 1 3 . 1 1 110 110 LYS H H 110 8.727 8.727 8.424 0.303 19974 2297 1 3 . 1 1 111 111 GLN N N 111 117.980 117.980 119.225 -1.245 19974 2298 1 3 . 1 1 111 111 GLN HA H 111 3.491 3.491 4.039 -0.548 19974 2299 1 3 . 1 1 111 111 GLN C C 111 177.640 177.640 178.386 -0.746 19974 2300 1 3 . 1 1 111 111 GLN CA C 111 57.530 57.530 58.846 -1.316 19974 2301 1 3 . 1 1 111 111 GLN CB C 111 28.460 28.460 27.987 0.473 19974 2302 1 3 . 1 1 111 111 GLN H H 111 8.442 8.442 8.340 0.102 19974 2303 1 3 . 1 1 112 112 GLY N N 112 103.740 103.740 107.540 -3.800 19974 2304 1 3 . 1 1 112 112 GLY C C 112 173.970 173.970 176.584 -2.614 19974 2305 1 3 . 1 1 112 112 GLY CA C 112 48.730 48.730 47.086 1.644 19974 2306 1 3 . 1 1 112 112 GLY H H 112 8.196 8.196 8.165 0.031 19974 2307 1 3 . 1 1 113 113 LEU N N 113 119.640 119.640 122.686 -3.046 19974 2308 1 3 . 1 1 113 113 LEU HA H 113 3.868 3.868 4.073 -0.205 19974 2309 1 3 . 1 1 113 113 LEU C C 113 177.480 177.480 178.812 -1.332 19974 2310 1 3 . 1 1 113 113 LEU CA C 113 58.150 58.150 57.530 0.620 19974 2311 1 3 . 1 1 113 113 LEU CB C 113 41.920 41.920 42.105 -0.185 19974 2312 1 3 . 1 1 113 113 LEU H H 113 7.614 7.614 8.069 -0.455 19974 2313 1 3 . 1 1 114 114 VAL N N 114 118.510 118.510 121.145 -2.635 19974 2314 1 3 . 1 1 114 114 VAL HA H 114 3.269 3.269 3.474 -0.205 19974 2315 1 3 . 1 1 114 114 VAL C C 114 177.330 177.330 177.967 -0.637 19974 2316 1 3 . 1 1 114 114 VAL CA C 114 67.787 67.787 67.428 0.359 19974 2317 1 3 . 1 1 114 114 VAL CB C 114 31.600 31.600 31.546 0.054 19974 2318 1 3 . 1 1 114 114 VAL H H 114 8.284 8.284 8.651 -0.367 19974 2319 1 3 . 1 1 115 115 ASP N N 115 119.440 119.440 118.874 0.566 19974 2320 1 3 . 1 1 115 115 ASP HA H 115 4.261 4.261 4.403 -0.142 19974 2321 1 3 . 1 1 115 115 ASP C C 115 179.840 179.840 178.966 0.874 19974 2322 1 3 . 1 1 115 115 ASP CA C 115 56.950 56.950 57.336 -0.386 19974 2323 1 3 . 1 1 115 115 ASP CB C 115 39.840 39.840 39.890 -0.050 19974 2324 1 3 . 1 1 115 115 ASP H H 115 8.724 8.724 8.652 0.072 19974 2325 1 3 . 1 1 116 116 GLY N N 116 107.280 107.280 108.254 -0.974 19974 2326 1 3 . 1 1 116 116 GLY C C 116 174.130 174.130 176.079 -1.949 19974 2327 1 3 . 1 1 116 116 GLY CA C 116 47.190 47.190 46.732 0.458 19974 2328 1 3 . 1 1 116 116 GLY H H 116 8.370 8.370 7.593 0.777 19974 2329 1 3 . 1 1 117 117 ILE N N 117 123.350 123.350 122.719 0.631 19974 2330 1 3 . 1 1 117 117 ILE HA H 117 3.307 3.307 3.586 -0.279 19974 2331 1 3 . 1 1 117 117 ILE C C 117 176.750 176.750 177.625 -0.875 19974 2332 1 3 . 1 1 117 117 ILE CA C 117 66.168 66.168 65.340 0.828 19974 2333 1 3 . 1 1 117 117 ILE CB C 117 37.760 37.760 37.849 -0.089 19974 2334 1 3 . 1 1 117 117 ILE H H 117 8.573 8.573 8.006 0.567 19974 2335 1 3 . 1 1 118 118 GLU N N 118 119.220 119.220 119.774 -0.554 19974 2336 1 3 . 1 1 118 118 GLU HA H 118 4.003 4.003 3.922 0.081 19974 2337 1 3 . 1 1 118 118 GLU C C 118 180.600 180.600 179.274 1.326 19974 2338 1 3 . 1 1 118 118 GLU CA C 118 59.472 59.472 59.733 -0.261 19974 2339 1 3 . 1 1 118 118 GLU CB C 118 29.310 29.310 28.989 0.321 19974 2340 1 3 . 1 1 118 118 GLU H H 118 7.998 7.998 8.287 -0.289 19974 2341 1 3 . 1 1 119 119 LYS N N 119 118.270 118.270 118.959 -0.689 19974 2342 1 3 . 1 1 119 119 LYS HA H 119 3.897 3.897 4.060 -0.163 19974 2343 1 3 . 1 1 119 119 LYS C C 119 179.040 179.040 178.873 0.167 19974 2344 1 3 . 1 1 119 119 LYS CA C 119 58.090 58.090 58.810 -0.720 19974 2345 1 3 . 1 1 119 119 LYS CB C 119 31.340 31.340 32.201 -0.861 19974 2346 1 3 . 1 1 119 119 LYS H H 119 7.846 7.846 7.946 -0.100 19974 2347 1 3 . 1 1 120 120 ALA N N 120 125.280 125.280 122.920 2.360 19974 2348 1 3 . 1 1 120 120 ALA HA H 120 4.195 4.195 3.989 0.206 19974 2349 1 3 . 1 1 120 120 ALA C C 120 180.230 180.230 179.148 1.082 19974 2350 1 3 . 1 1 120 120 ALA CA C 120 55.040 55.040 54.952 0.088 19974 2351 1 3 . 1 1 120 120 ALA CB C 120 17.380 17.380 18.278 -0.898 19974 2352 1 3 . 1 1 120 120 ALA H H 120 9.092 9.092 7.538 1.554 19974 2353 1 3 . 1 1 121 121 GLY N N 121 104.130 104.130 107.030 -2.900 19974 2354 1 3 . 1 1 121 121 GLY C C 121 174.930 174.930 176.047 -1.117 19974 2355 1 3 . 1 1 121 121 GLY CA C 121 47.590 47.590 47.039 0.551 19974 2356 1 3 . 1 1 121 121 GLY H H 121 8.606 8.606 8.617 -0.011 19974 2357 1 3 . 1 1 122 122 MET N N 122 117.000 117.000 120.925 -3.925 19974 2358 1 3 . 1 1 122 122 MET HA H 122 4.183 4.183 4.157 0.026 19974 2359 1 3 . 1 1 122 122 MET C C 122 178.500 178.500 177.435 1.065 19974 2360 1 3 . 1 1 122 122 MET CA C 122 57.470 57.470 58.610 -1.140 19974 2361 1 3 . 1 1 122 122 MET CB C 122 32.200 32.200 32.756 -0.556 19974 2362 1 3 . 1 1 122 122 MET H H 122 7.284 7.284 7.826 -0.542 19974 2363 1 3 . 1 1 123 123 ALA N N 123 124.060 124.060 121.177 2.883 19974 2364 1 3 . 1 1 123 123 ALA HA H 123 4.076 4.076 4.334 -0.258 19974 2365 1 3 . 1 1 123 123 ALA C C 123 180.880 180.880 180.454 0.426 19974 2366 1 3 . 1 1 123 123 ALA CA C 123 54.760 54.760 54.582 0.178 19974 2367 1 3 . 1 1 123 123 ALA CB C 123 17.590 17.590 18.704 -1.114 19974 2368 1 3 . 1 1 123 123 ALA H H 123 8.308 8.308 7.499 0.809 19974 2369 1 3 . 1 1 124 124 LEU N N 124 117.060 117.060 120.387 -3.327 19974 2370 1 3 . 1 1 124 124 LEU HA H 124 4.270 4.270 4.332 -0.062 19974 2371 1 3 . 1 1 124 124 LEU C C 124 179.170 179.170 179.079 0.091 19974 2372 1 3 . 1 1 124 124 LEU CA C 124 57.840 57.840 58.012 -0.172 19974 2373 1 3 . 1 1 124 124 LEU CB C 124 42.920 42.920 41.876 1.044 19974 2374 1 3 . 1 1 124 124 LEU H H 124 8.871 8.871 8.917 -0.046 19974 2375 1 3 . 1 1 125 125 ALA N N 125 120.950 120.950 120.445 0.505 19974 2376 1 3 . 1 1 125 125 ALA HA H 125 3.956 3.956 4.512 -0.556 19974 2377 1 3 . 1 1 125 125 ALA C C 125 177.740 177.740 179.027 -1.287 19974 2378 1 3 . 1 1 125 125 ALA CA C 125 55.220 55.220 54.521 0.699 19974 2379 1 3 . 1 1 125 125 ALA CB C 125 19.180 19.180 18.415 0.765 19974 2380 1 3 . 1 1 125 125 ALA H H 125 7.829 7.829 8.466 -0.637 19974 2381 1 3 . 1 1 126 126 LYS N N 126 113.320 113.320 118.204 -4.884 19974 2382 1 3 . 1 1 126 126 LYS HA H 126 3.798 3.798 4.050 -0.252 19974 2383 1 3 . 1 1 126 126 LYS C C 126 176.550 176.550 177.941 -1.391 19974 2384 1 3 . 1 1 126 126 LYS CA C 126 58.490 58.490 58.608 -0.118 19974 2385 1 3 . 1 1 126 126 LYS CB C 126 32.620 32.620 32.454 0.166 19974 2386 1 3 . 1 1 126 126 LYS H H 126 6.971 6.971 7.769 -0.798 19974 2387 1 3 . 1 1 127 127 TYR N N 127 113.850 113.850 116.893 -3.043 19974 2388 1 3 . 1 1 127 127 TYR HA H 127 4.067 4.067 4.164 -0.097 19974 2389 1 3 . 1 1 127 127 TYR C C 127 174.390 174.390 175.611 -1.221 19974 2390 1 3 . 1 1 127 127 TYR CA C 127 58.770 58.770 60.211 -1.441 19974 2391 1 3 . 1 1 127 127 TYR CB C 127 41.930 41.930 39.454 2.476 19974 2392 1 3 . 1 1 127 127 TYR H H 127 6.817 6.817 7.643 -0.826 19974 2393 1 3 . 1 1 128 128 PHE N N 128 116.130 116.130 117.299 -1.169 19974 2394 1 3 . 1 1 128 128 PHE HA H 128 4.907 4.907 4.977 -0.070 19974 2395 1 3 . 1 1 128 128 PHE C C 128 172.450 172.450 173.528 -1.078 19974 2396 1 3 . 1 1 128 128 PHE CA C 128 55.003 55.003 55.408 -0.405 19974 2397 1 3 . 1 1 128 128 PHE CB C 128 38.550 38.550 40.431 -1.881 19974 2398 1 3 . 1 1 128 128 PHE H H 128 8.688 8.688 8.367 0.321 19974 2399 1 3 . 1 1 129 129 PRO HA H 129 4.680 4.680 4.669 0.011 19974 2400 1 3 . 1 1 129 129 PRO C C 129 175.720 175.720 176.605 -0.885 19974 2401 1 3 . 1 1 129 129 PRO CA C 129 63.382 63.382 62.613 0.769 19974 2402 1 3 . 1 1 129 129 PRO CB C 129 31.810 31.810 32.181 -0.371 19974 2403 1 3 . 1 1 130 130 TRP N N 130 123.170 123.170 128.137 -4.967 19974 2404 1 3 . 1 1 130 130 TRP HA H 130 4.031 4.031 4.734 -0.703 19974 2405 1 3 . 1 1 130 130 TRP C C 130 175.310 175.310 175.874 -0.564 19974 2406 1 3 . 1 1 130 130 TRP CA C 130 59.510 59.510 58.043 1.467 19974 2407 1 3 . 1 1 130 130 TRP CB C 130 29.300 29.300 30.552 -1.252 19974 2408 1 3 . 1 1 130 130 TRP H H 130 7.910 7.910 8.706 -0.796 19974 2409 1 3 . 1 1 131 131 LYS N N 131 127.060 127.060 126.588 0.472 19974 2410 1 3 . 1 1 131 131 LYS HA H 131 4.260 4.260 4.367 -0.107 19974 2411 1 3 . 1 1 131 131 LYS C C 131 174.450 174.450 176.141 -1.691 19974 2412 1 3 . 1 1 131 131 LYS CA C 131 53.240 53.240 54.297 -1.057 19974 2413 1 3 . 1 1 131 131 LYS CB C 131 35.250 35.250 34.918 0.332 19974 2414 1 3 . 1 1 131 131 LYS H H 131 8.097 8.097 7.680 0.417 19974 2415 1 3 . 1 1 132 132 LYS N N 132 116.250 116.250 121.282 -5.032 19974 2416 1 3 . 1 1 132 132 LYS HA H 132 3.398 3.398 3.651 -0.253 19974 2417 1 3 . 1 1 132 132 LYS C C 132 176.550 176.550 176.132 0.418 19974 2418 1 3 . 1 1 132 132 LYS CA C 132 58.140 58.140 57.997 0.143 19974 2419 1 3 . 1 1 132 132 LYS CB C 132 31.880 31.880 32.375 -0.495 19974 2420 1 3 . 1 1 132 132 LYS H H 132 7.761 7.761 8.415 -0.654 19974 2421 1 3 . 1 1 133 133 ASP N N 133 116.600 116.600 118.166 -1.566 19974 2422 1 3 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.644 -0.293 19974 2423 1 3 . 1 1 133 133 ASP C C 133 175.320 175.320 175.234 0.086 19974 2424 1 3 . 1 1 133 133 ASP CA C 133 52.520 52.520 53.529 -1.010 19974 2425 1 3 . 1 1 133 133 ASP CB C 133 38.720 38.720 40.177 -1.457 19974 2426 1 3 . 1 1 133 133 ASP H H 133 7.633 7.633 7.839 -0.206 19974 2427 1 3 . 1 1 134 134 ASP N N 134 119.140 119.140 121.259 -2.119 19974 2428 1 3 . 1 1 134 134 ASP HA H 134 3.989 3.989 4.433 -0.444 19974 2429 1 3 . 1 1 134 134 ASP C C 134 175.500 175.500 176.300 -0.800 19974 2430 1 3 . 1 1 134 134 ASP CA C 134 56.410 56.410 54.865 1.545 19974 2431 1 3 . 1 1 134 134 ASP CB C 134 42.740 42.740 41.677 1.063 19974 2432 1 3 . 1 1 134 134 ASP H H 134 7.251 7.251 7.252 -0.001 19974 2433 1 3 . 1 1 135 135 ILE N N 135 123.230 123.230 119.749 3.481 19974 2434 1 3 . 1 1 135 135 ILE HA H 135 4.301 4.301 4.346 -0.045 19974 2435 1 3 . 1 1 135 135 ILE C C 135 176.300 176.300 174.707 1.593 19974 2436 1 3 . 1 1 135 135 ILE CA C 135 58.640 58.640 59.483 -0.843 19974 2437 1 3 . 1 1 135 135 ILE CB C 135 40.800 40.800 39.611 1.189 19974 2438 1 3 . 1 1 135 135 ILE H H 135 8.351 8.351 8.231 0.120 19974 2439 1 3 . 1 1 136 136 ASP N N 136 131.670 131.670 128.163 3.507 19974 2440 1 3 . 1 1 136 136 ASP HA H 136 5.640 5.640 4.631 1.009 19974 2441 1 3 . 1 1 136 136 ASP C C 136 176.150 176.150 176.265 -0.115 19974 2442 1 3 . 1 1 136 136 ASP CA C 136 52.560 52.560 55.032 -2.472 19974 2443 1 3 . 1 1 136 136 ASP CB C 136 38.180 38.180 41.110 -2.930 19974 2444 1 3 . 1 1 136 136 ASP H H 136 9.036 9.036 8.673 0.363 19974 2445 1 3 . 1 1 137 137 GLU N N 137 125.270 125.270 124.182 1.088 19974 2446 1 3 . 1 1 137 137 GLU HA H 137 3.735 3.735 4.319 -0.584 19974 2447 1 3 . 1 1 137 137 GLU C C 137 176.110 176.110 176.185 -0.075 19974 2448 1 3 . 1 1 137 137 GLU CA C 137 59.490 59.490 56.913 2.577 19974 2449 1 3 . 1 1 137 137 GLU CB C 137 32.880 32.880 30.525 2.355 19974 2450 1 3 . 1 1 137 137 GLU H H 137 8.435 8.435 8.786 -0.351 19974 2451 1 3 . 1 1 138 138 LEU N N 138 117.210 117.210 119.993 -2.783 19974 2452 1 3 . 1 1 138 138 LEU HA H 138 4.960 4.960 4.686 0.274 19974 2453 1 3 . 1 1 138 138 LEU C C 138 173.560 173.560 173.988 -0.428 19974 2454 1 3 . 1 1 138 138 LEU CA C 138 50.310 50.310 51.912 -1.602 19974 2455 1 3 . 1 1 138 138 LEU CB C 138 41.350 41.350 45.038 -3.688 19974 2456 1 3 . 1 1 138 138 LEU H H 138 8.308 8.308 7.469 0.839 19974 2457 1 3 . 1 1 139 139 PRO HA H 139 4.335 4.335 4.628 -0.293 19974 2458 1 3 . 1 1 139 139 PRO C C 139 177.700 177.700 176.801 0.899 19974 2459 1 3 . 1 1 139 139 PRO CA C 139 62.550 62.550 62.361 0.189 19974 2460 1 3 . 1 1 139 139 PRO CB C 139 32.520 32.520 32.815 -0.295 19974 2461 1 3 . 1 1 140 140 ASN N N 140 120.930 120.930 116.065 4.865 19974 2462 1 3 . 1 1 140 140 ASN HA H 140 4.730 4.730 4.776 -0.046 19974 2463 1 3 . 1 1 140 140 ASN C C 140 174.460 174.460 175.005 -0.545 19974 2464 1 3 . 1 1 140 140 ASN CA C 140 52.790 52.790 53.373 -0.583 19974 2465 1 3 . 1 1 140 140 ASN CB C 140 38.520 38.520 38.897 -0.376 19974 2466 1 3 . 1 1 140 140 ASN H H 140 9.213 9.213 8.693 0.520 19974 2467 1 3 . 1 1 141 141 THR N N 141 107.730 107.730 111.207 -3.477 19974 2468 1 3 . 1 1 141 141 THR HA H 141 3.853 3.853 4.325 -0.472 19974 2469 1 3 . 1 1 141 141 THR C C 141 176.410 176.410 174.433 1.977 19974 2470 1 3 . 1 1 141 141 THR CA C 141 61.560 61.560 61.468 0.092 19974 2471 1 3 . 1 1 141 141 THR CB C 141 69.450 69.450 70.006 -0.556 19974 2472 1 3 . 1 1 141 141 THR H H 141 7.003 7.003 7.402 -0.399 19974 2473 1 3 . 1 1 142 142 ILE N N 142 129.530 129.530 121.753 7.777 19974 2474 1 3 . 1 1 142 142 ILE HA H 142 3.976 3.976 4.130 -0.154 19974 2475 1 3 . 1 1 142 142 ILE C C 142 176.020 176.020 175.672 0.348 19974 2476 1 3 . 1 1 142 142 ILE CA C 142 62.150 62.150 61.510 0.641 19974 2477 1 3 . 1 1 142 142 ILE CB C 142 37.890 37.890 38.681 -0.791 19974 2478 1 3 . 1 1 142 142 ILE H H 142 9.030 9.030 8.205 0.825 19974 2479 1 3 . 1 1 143 143 SER N N 143 124.630 124.630 122.519 2.111 19974 2480 1 3 . 1 1 143 143 SER HA H 143 4.481 4.481 4.765 -0.284 19974 2481 1 3 . 1 1 143 143 SER C C 143 172.920 172.920 172.754 0.166 19974 2482 1 3 . 1 1 143 143 SER CA C 143 57.120 57.120 57.238 -0.118 19974 2483 1 3 . 1 1 143 143 SER CB C 143 60.710 60.710 64.597 -3.887 19974 2484 1 3 . 1 1 143 143 SER H H 143 8.709 8.709 8.540 0.169 19974 2485 1 3 . 1 1 144 144 LYS N N 144 126.170 126.170 123.553 2.617 19974 2486 1 3 . 1 1 144 144 LYS HA H 144 4.954 4.954 4.657 0.297 19974 2487 1 3 . 1 1 144 144 LYS C C 144 175.910 175.910 176.302 -0.392 19974 2488 1 3 . 1 1 144 144 LYS CA C 144 54.580 54.580 54.326 0.254 19974 2489 1 3 . 1 1 144 144 LYS CB C 144 35.170 35.170 36.337 -1.167 19974 2490 1 3 . 1 1 144 144 LYS H H 144 8.043 8.043 8.266 -0.223 19974 2491 1 4 . 1 1 3 3 LYS HA H 3 4.317 4.317 4.506 -0.189 19974 2492 1 4 . 1 1 3 3 LYS C C 3 176.840 176.840 176.522 0.318 19974 2493 1 4 . 1 1 3 3 LYS CA C 3 56.180 56.180 55.471 0.709 19974 2494 1 4 . 1 1 3 3 LYS CB C 3 33.030 33.030 34.170 -1.141 19974 2495 1 4 . 1 1 4 4 ILE N N 4 122.990 122.990 125.956 -2.966 19974 2496 1 4 . 1 1 4 4 ILE HA H 4 3.919 3.919 3.816 0.103 19974 2497 1 4 . 1 1 4 4 ILE C C 4 176.120 176.120 175.949 0.171 19974 2498 1 4 . 1 1 4 4 ILE CA C 4 61.530 61.530 63.676 -2.146 19974 2499 1 4 . 1 1 4 4 ILE CB C 4 38.040 38.040 37.958 0.082 19974 2500 1 4 . 1 1 4 4 ILE H H 4 8.391 8.391 8.792 -0.401 19974 2501 1 4 . 1 1 5 5 GLU N N 5 123.430 123.430 116.123 7.307 19974 2502 1 4 . 1 1 5 5 GLU HA H 5 4.116 4.116 3.837 0.279 19974 2503 1 4 . 1 1 5 5 GLU C C 5 175.830 175.830 176.853 -1.023 19974 2504 1 4 . 1 1 5 5 GLU CA C 5 56.900 56.900 57.362 -0.462 19974 2505 1 4 . 1 1 5 5 GLU CB C 5 29.350 29.350 29.126 0.224 19974 2506 1 4 . 1 1 5 5 GLU H H 5 8.508 8.508 8.261 0.247 19974 2507 1 4 . 1 1 6 6 GLU N N 6 119.490 119.490 119.905 -0.415 19974 2508 1 4 . 1 1 6 6 GLU HA H 6 4.128 4.128 4.266 -0.138 19974 2509 1 4 . 1 1 6 6 GLU C C 6 176.270 176.270 175.854 0.416 19974 2510 1 4 . 1 1 6 6 GLU CA C 6 55.700 55.700 54.279 1.421 19974 2511 1 4 . 1 1 6 6 GLU CB C 6 30.190 30.190 28.363 1.827 19974 2512 1 4 . 1 1 6 6 GLU H H 6 7.843 7.843 7.155 0.688 19974 2513 1 4 . 1 1 7 7 PHE N N 7 121.090 121.090 122.074 -0.984 19974 2514 1 4 . 1 1 7 7 PHE HA H 7 4.284 4.284 4.297 -0.013 19974 2515 1 4 . 1 1 7 7 PHE C C 7 174.810 174.810 175.982 -1.172 19974 2516 1 4 . 1 1 7 7 PHE CA C 7 59.660 59.660 60.049 -0.389 19974 2517 1 4 . 1 1 7 7 PHE CB C 7 39.990 39.990 39.294 0.696 19974 2518 1 4 . 1 1 7 7 PHE H H 7 8.092 8.092 7.340 0.752 19974 2519 1 4 . 1 1 8 8 LEU N N 8 116.700 116.700 117.037 -0.337 19974 2520 1 4 . 1 1 8 8 LEU HA H 8 4.792 4.792 5.023 -0.231 19974 2521 1 4 . 1 1 8 8 LEU C C 8 176.940 176.940 176.453 0.487 19974 2522 1 4 . 1 1 8 8 LEU CA C 8 52.730 52.730 52.559 0.171 19974 2523 1 4 . 1 1 8 8 LEU CB C 8 45.650 45.650 46.163 -0.513 19974 2524 1 4 . 1 1 8 8 LEU H H 8 7.721 7.721 7.527 0.194 19974 2525 1 4 . 1 1 9 9 THR N N 9 113.700 113.700 112.146 1.554 19974 2526 1 4 . 1 1 9 9 THR HA H 9 4.397 4.397 4.430 -0.033 19974 2527 1 4 . 1 1 9 9 THR C C 9 175.410 175.410 176.079 -0.669 19974 2528 1 4 . 1 1 9 9 THR CA C 9 60.650 60.650 60.543 0.107 19974 2529 1 4 . 1 1 9 9 THR CB C 9 70.800 70.800 71.392 -0.592 19974 2530 1 4 . 1 1 9 9 THR H H 9 9.224 9.224 8.821 0.403 19974 2531 1 4 . 1 1 10 10 ALA N N 10 123.350 123.350 125.218 -1.868 19974 2532 1 4 . 1 1 10 10 ALA HA H 10 4.036 4.036 3.999 0.037 19974 2533 1 4 . 1 1 10 10 ALA C C 10 181.050 181.050 179.595 1.455 19974 2534 1 4 . 1 1 10 10 ALA CA C 10 55.500 55.500 55.161 0.339 19974 2535 1 4 . 1 1 10 10 ALA CB C 10 17.914 17.914 18.526 -0.612 19974 2536 1 4 . 1 1 10 10 ALA H H 10 8.881 8.881 8.997 -0.116 19974 2537 1 4 . 1 1 11 11 GLU N N 11 117.680 117.680 118.214 -0.534 19974 2538 1 4 . 1 1 11 11 GLU HA H 11 3.949 3.949 3.973 -0.024 19974 2539 1 4 . 1 1 11 11 GLU C C 11 179.500 179.500 179.286 0.214 19974 2540 1 4 . 1 1 11 11 GLU CA C 11 59.490 59.490 59.489 0.002 19974 2541 1 4 . 1 1 11 11 GLU CB C 11 29.120 29.120 29.279 -0.159 19974 2542 1 4 . 1 1 11 11 GLU H H 11 8.460 8.460 8.411 0.049 19974 2543 1 4 . 1 1 12 12 GLU N N 12 121.860 121.860 119.782 2.078 19974 2544 1 4 . 1 1 12 12 GLU HA H 12 3.818 3.818 4.080 -0.262 19974 2545 1 4 . 1 1 12 12 GLU C C 12 178.130 178.130 179.101 -0.971 19974 2546 1 4 . 1 1 12 12 GLU CA C 12 59.210 59.210 59.189 0.021 19974 2547 1 4 . 1 1 12 12 GLU CB C 12 30.800 30.800 29.639 1.161 19974 2548 1 4 . 1 1 12 12 GLU H H 12 7.698 7.698 7.536 0.162 19974 2549 1 4 . 1 1 13 13 GLU N N 13 118.170 118.170 119.758 -1.588 19974 2550 1 4 . 1 1 13 13 GLU HA H 13 3.640 3.640 4.002 -0.362 19974 2551 1 4 . 1 1 13 13 GLU C C 13 178.070 178.070 178.684 -0.614 19974 2552 1 4 . 1 1 13 13 GLU CA C 13 60.539 60.539 59.399 1.140 19974 2553 1 4 . 1 1 13 13 GLU CB C 13 29.130 29.130 29.505 -0.375 19974 2554 1 4 . 1 1 13 13 GLU H H 13 8.493 8.493 8.510 -0.017 19974 2555 1 4 . 1 1 14 14 LYS N N 14 117.980 117.980 119.894 -1.914 19974 2556 1 4 . 1 1 14 14 LYS HA H 14 3.887 3.887 3.978 -0.091 19974 2557 1 4 . 1 1 14 14 LYS C C 14 177.420 177.420 178.715 -1.295 19974 2558 1 4 . 1 1 14 14 LYS CA C 14 59.350 59.350 59.484 -0.134 19974 2559 1 4 . 1 1 14 14 LYS CB C 14 32.200 32.200 32.385 -0.185 19974 2560 1 4 . 1 1 14 14 LYS H H 14 7.650 7.650 8.097 -0.447 19974 2561 1 4 . 1 1 15 15 ALA N N 15 119.210 119.210 121.154 -1.944 19974 2562 1 4 . 1 1 15 15 ALA HA H 15 4.098 4.098 4.103 -0.005 19974 2563 1 4 . 1 1 15 15 ALA C C 15 180.550 180.550 179.582 0.968 19974 2564 1 4 . 1 1 15 15 ALA CA C 15 54.600 54.600 54.941 -0.341 19974 2565 1 4 . 1 1 15 15 ALA CB C 15 17.790 17.790 18.502 -0.712 19974 2566 1 4 . 1 1 15 15 ALA H H 15 7.362 7.362 7.462 -0.100 19974 2567 1 4 . 1 1 16 16 ILE N N 16 119.990 119.990 119.011 0.979 19974 2568 1 4 . 1 1 16 16 ILE HA H 16 3.493 3.493 3.735 -0.242 19974 2569 1 4 . 1 1 16 16 ILE C C 16 176.510 176.510 177.578 -1.068 19974 2570 1 4 . 1 1 16 16 ILE CA C 16 65.072 65.072 63.838 1.234 19974 2571 1 4 . 1 1 16 16 ILE CB C 16 37.580 37.580 38.407 -0.827 19974 2572 1 4 . 1 1 16 16 ILE H H 16 7.592 7.592 7.539 0.053 19974 2573 1 4 . 1 1 17 17 VAL N N 17 121.520 121.520 121.591 -0.071 19974 2574 1 4 . 1 1 17 17 VAL HA H 17 3.504 3.504 3.569 -0.065 19974 2575 1 4 . 1 1 17 17 VAL C C 17 178.620 178.620 177.826 0.794 19974 2576 1 4 . 1 1 17 17 VAL CA C 17 67.324 67.324 66.724 0.600 19974 2577 1 4 . 1 1 17 17 VAL CB C 17 31.350 31.350 31.647 -0.297 19974 2578 1 4 . 1 1 17 17 VAL H H 17 8.155 8.155 8.583 -0.428 19974 2579 1 4 . 1 1 18 18 ASP N N 18 120.000 120.000 119.727 0.273 19974 2580 1 4 . 1 1 18 18 ASP HA H 18 4.223 4.223 4.370 -0.147 19974 2581 1 4 . 1 1 18 18 ASP C C 18 177.980 177.980 177.794 0.186 19974 2582 1 4 . 1 1 18 18 ASP CA C 18 57.050 57.050 57.008 0.042 19974 2583 1 4 . 1 1 18 18 ASP CB C 18 39.410 39.410 40.600 -1.190 19974 2584 1 4 . 1 1 18 18 ASP H H 18 8.605 8.605 8.167 0.438 19974 2585 1 4 . 1 1 19 19 ALA N N 19 122.620 122.620 122.071 0.549 19974 2586 1 4 . 1 1 19 19 ALA HA H 19 4.194 4.194 4.022 0.172 19974 2587 1 4 . 1 1 19 19 ALA C C 19 180.720 180.720 179.431 1.289 19974 2588 1 4 . 1 1 19 19 ALA CA C 19 54.970 54.970 55.041 -0.070 19974 2589 1 4 . 1 1 19 19 ALA CB C 19 17.850 17.850 18.593 -0.743 19974 2590 1 4 . 1 1 19 19 ALA H H 19 7.702 7.702 7.267 0.435 19974 2591 1 4 . 1 1 20 20 ILE N N 20 122.620 122.620 118.354 4.266 19974 2592 1 4 . 1 1 20 20 ILE HA H 20 3.309 3.309 3.655 -0.346 19974 2593 1 4 . 1 1 20 20 ILE C C 20 176.740 176.740 178.191 -1.451 19974 2594 1 4 . 1 1 20 20 ILE CA C 20 66.830 66.830 63.782 3.048 19974 2595 1 4 . 1 1 20 20 ILE CB C 20 38.140 38.140 36.504 1.636 19974 2596 1 4 . 1 1 20 20 ILE H H 20 8.234 8.234 7.513 0.721 19974 2597 1 4 . 1 1 21 21 ARG N N 21 119.660 119.660 119.491 0.169 19974 2598 1 4 . 1 1 21 21 ARG HA H 21 3.899 3.899 4.163 -0.264 19974 2599 1 4 . 1 1 21 21 ARG C C 21 179.540 179.540 179.165 0.375 19974 2600 1 4 . 1 1 21 21 ARG CA C 21 58.990 58.990 59.699 -0.709 19974 2601 1 4 . 1 1 21 21 ARG CB C 21 29.020 29.020 30.011 -0.991 19974 2602 1 4 . 1 1 21 21 ARG H H 21 8.212 8.212 7.773 0.439 19974 2603 1 4 . 1 1 22 22 ASP N N 22 118.640 118.640 118.703 -0.063 19974 2604 1 4 . 1 1 22 22 ASP HA H 22 4.239 4.239 4.545 -0.306 19974 2605 1 4 . 1 1 22 22 ASP C C 22 179.190 179.190 176.897 2.293 19974 2606 1 4 . 1 1 22 22 ASP CA C 22 57.270 57.270 56.108 1.162 19974 2607 1 4 . 1 1 22 22 ASP CB C 22 39.770 39.770 40.509 -0.739 19974 2608 1 4 . 1 1 22 22 ASP H H 22 8.137 8.137 7.790 0.347 19974 2609 1 4 . 1 1 23 23 ALA N N 23 126.120 126.120 123.197 2.923 19974 2610 1 4 . 1 1 23 23 ALA HA H 23 4.207 4.207 4.033 0.174 19974 2611 1 4 . 1 1 23 23 ALA C C 23 181.060 181.060 179.495 1.565 19974 2612 1 4 . 1 1 23 23 ALA CA C 23 55.430 55.430 54.767 0.663 19974 2613 1 4 . 1 1 23 23 ALA CB C 23 18.690 18.690 19.129 -0.439 19974 2614 1 4 . 1 1 23 23 ALA H H 23 8.500 8.500 7.617 0.883 19974 2615 1 4 . 1 1 24 24 GLU N N 24 115.460 115.460 119.225 -3.765 19974 2616 1 4 . 1 1 24 24 GLU HA H 24 4.213 4.213 4.210 0.003 19974 2617 1 4 . 1 1 24 24 GLU C C 24 176.390 176.390 179.184 -2.794 19974 2618 1 4 . 1 1 24 24 GLU CA C 24 58.180 58.180 59.090 -0.910 19974 2619 1 4 . 1 1 24 24 GLU CB C 24 28.200 28.200 29.621 -1.421 19974 2620 1 4 . 1 1 24 24 GLU H H 24 8.451 8.451 8.075 0.376 19974 2621 1 4 . 1 1 25 25 LYS N N 25 115.790 115.790 115.939 -0.149 19974 2622 1 4 . 1 1 25 25 LYS HA H 25 3.739 3.739 4.126 -0.387 19974 2623 1 4 . 1 1 25 25 LYS C C 25 176.020 176.020 176.065 -0.045 19974 2624 1 4 . 1 1 25 25 LYS CA C 25 56.220 56.220 57.405 -1.185 19974 2625 1 4 . 1 1 25 25 LYS CB C 25 32.070 32.070 31.803 0.267 19974 2626 1 4 . 1 1 25 25 LYS H H 25 7.083 7.083 7.654 -0.571 19974 2627 1 4 . 1 1 26 26 ASN N N 26 115.060 115.060 115.414 -0.354 19974 2628 1 4 . 1 1 26 26 ASN HA H 26 4.749 4.749 4.757 -0.008 19974 2629 1 4 . 1 1 26 26 ASN C C 26 174.280 174.280 173.805 0.475 19974 2630 1 4 . 1 1 26 26 ASN CA C 26 53.050 53.050 53.157 -0.107 19974 2631 1 4 . 1 1 26 26 ASN CB C 26 40.410 40.410 40.968 -0.557 19974 2632 1 4 . 1 1 26 26 ASN H H 26 7.931 7.931 7.750 0.181 19974 2633 1 4 . 1 1 27 27 THR N N 27 113.430 113.430 112.484 0.946 19974 2634 1 4 . 1 1 27 27 THR HA H 27 5.507 5.507 4.744 0.763 19974 2635 1 4 . 1 1 27 27 THR C C 27 170.850 170.850 173.183 -2.333 19974 2636 1 4 . 1 1 27 27 THR CA C 27 57.130 57.130 60.850 -3.720 19974 2637 1 4 . 1 1 27 27 THR CB C 27 70.200 70.200 69.948 0.252 19974 2638 1 4 . 1 1 27 27 THR H H 27 7.619 7.619 7.631 -0.012 19974 2639 1 4 . 1 1 28 28 SER N N 28 119.450 119.450 121.336 -1.886 19974 2640 1 4 . 1 1 28 28 SER HA H 28 4.773 4.773 4.775 -0.002 19974 2641 1 4 . 1 1 28 28 SER C C 28 176.330 176.330 174.623 1.707 19974 2642 1 4 . 1 1 28 28 SER CA C 28 58.913 58.913 59.311 -0.398 19974 2643 1 4 . 1 1 28 28 SER CB C 28 64.360 64.360 63.109 1.251 19974 2644 1 4 . 1 1 28 28 SER H H 28 7.706 7.706 8.928 -1.222 19974 2645 1 4 . 1 1 29 29 GLY N N 29 111.350 111.350 109.621 1.729 19974 2646 1 4 . 1 1 29 29 GLY C C 29 171.210 171.210 172.731 -1.521 19974 2647 1 4 . 1 1 29 29 GLY CA C 29 44.643 44.643 44.362 0.281 19974 2648 1 4 . 1 1 29 29 GLY H H 29 9.011 9.011 7.288 1.723 19974 2649 1 4 . 1 1 30 30 GLU N N 30 120.620 120.620 121.111 -0.491 19974 2650 1 4 . 1 1 30 30 GLU HA H 30 4.867 4.867 4.574 0.293 19974 2651 1 4 . 1 1 30 30 GLU C C 30 174.500 174.500 175.438 -0.938 19974 2652 1 4 . 1 1 30 30 GLU CA C 30 54.320 54.320 55.731 -1.411 19974 2653 1 4 . 1 1 30 30 GLU CB C 30 34.030 34.030 31.557 2.473 19974 2654 1 4 . 1 1 30 30 GLU H H 30 6.897 6.897 8.474 -1.577 19974 2655 1 4 . 1 1 31 31 ILE N N 31 121.650 121.650 122.981 -1.331 19974 2656 1 4 . 1 1 31 31 ILE HA H 31 5.171 5.171 4.813 0.358 19974 2657 1 4 . 1 1 31 31 ILE C C 31 175.550 175.550 174.993 0.557 19974 2658 1 4 . 1 1 31 31 ILE CA C 31 59.740 59.740 60.238 -0.498 19974 2659 1 4 . 1 1 31 31 ILE CB C 31 42.520 42.520 40.950 1.570 19974 2660 1 4 . 1 1 31 31 ILE H H 31 8.546 8.546 8.509 0.037 19974 2661 1 4 . 1 1 32 32 ARG N N 32 121.690 121.690 124.012 -2.322 19974 2662 1 4 . 1 1 32 32 ARG HA H 32 4.951 4.951 4.736 0.215 19974 2663 1 4 . 1 1 32 32 ARG C C 32 173.740 173.740 173.498 0.242 19974 2664 1 4 . 1 1 32 32 ARG CA C 32 55.220 55.220 54.956 0.264 19974 2665 1 4 . 1 1 32 32 ARG CB C 32 34.720 34.720 35.017 -0.296 19974 2666 1 4 . 1 1 32 32 ARG H H 32 8.751 8.751 8.744 0.007 19974 2667 1 4 . 1 1 33 33 VAL N N 33 120.770 120.770 122.615 -1.845 19974 2668 1 4 . 1 1 33 33 VAL HA H 33 4.972 4.972 4.662 0.310 19974 2669 1 4 . 1 1 33 33 VAL C C 33 173.790 173.790 173.841 -0.051 19974 2670 1 4 . 1 1 33 33 VAL CA C 33 59.700 59.700 61.199 -1.499 19974 2671 1 4 . 1 1 33 33 VAL CB C 33 34.820 34.820 34.477 0.343 19974 2672 1 4 . 1 1 33 33 VAL H H 33 8.617 8.617 8.756 -0.139 19974 2673 1 4 . 1 1 34 34 HIS N N 34 125.000 125.000 126.214 -1.214 19974 2674 1 4 . 1 1 34 34 HIS HA H 34 5.743 5.743 5.399 0.344 19974 2675 1 4 . 1 1 34 34 HIS C C 34 172.790 172.790 173.020 -0.230 19974 2676 1 4 . 1 1 34 34 HIS CA C 34 54.370 54.370 54.101 0.269 19974 2677 1 4 . 1 1 34 34 HIS CB C 34 36.840 36.840 33.092 3.748 19974 2678 1 4 . 1 1 34 34 HIS H H 34 8.552 8.552 9.189 -0.637 19974 2679 1 4 . 1 1 35 35 LEU N N 35 124.400 124.400 128.501 -4.101 19974 2680 1 4 . 1 1 35 35 LEU HA H 35 4.800 4.800 4.794 0.006 19974 2681 1 4 . 1 1 35 35 LEU C C 35 174.490 174.490 174.016 0.474 19974 2682 1 4 . 1 1 35 35 LEU CA C 35 52.190 52.190 53.785 -1.595 19974 2683 1 4 . 1 1 35 35 LEU CB C 35 44.880 44.880 44.745 0.135 19974 2684 1 4 . 1 1 35 35 LEU H H 35 8.006 8.006 8.220 -0.214 19974 2685 1 4 . 1 1 36 36 GLU N N 36 116.112 116.112 125.915 -9.803 19974 2686 1 4 . 1 1 36 36 GLU HA H 36 4.573 4.573 4.713 -0.140 19974 2687 1 4 . 1 1 36 36 GLU C C 36 174.350 174.350 175.390 -1.040 19974 2688 1 4 . 1 1 36 36 GLU CA C 36 54.130 54.130 54.350 -0.220 19974 2689 1 4 . 1 1 36 36 GLU CB C 36 31.960 31.960 33.530 -1.570 19974 2690 1 4 . 1 1 36 36 GLU H H 36 8.235 8.235 8.668 -0.433 19974 2691 1 4 . 1 1 37 37 LYS N N 37 121.210 121.210 120.924 0.286 19974 2692 1 4 . 1 1 37 37 LYS HA H 37 3.731 3.731 4.207 -0.476 19974 2693 1 4 . 1 1 37 37 LYS C C 37 175.200 175.200 176.891 -1.691 19974 2694 1 4 . 1 1 37 37 LYS CA C 37 61.410 61.410 58.867 2.543 19974 2695 1 4 . 1 1 37 37 LYS CB C 37 33.090 33.090 33.351 -0.261 19974 2696 1 4 . 1 1 37 37 LYS H H 37 9.055 9.055 8.509 0.546 19974 2697 1 4 . 1 1 38 38 THR N N 38 107.310 107.310 109.990 -2.680 19974 2698 1 4 . 1 1 38 38 THR HA H 38 4.448 4.448 4.585 -0.137 19974 2699 1 4 . 1 1 38 38 THR C C 38 171.420 171.420 173.217 -1.797 19974 2700 1 4 . 1 1 38 38 THR CA C 38 59.530 59.530 60.663 -1.133 19974 2701 1 4 . 1 1 38 38 THR CB C 38 69.570 69.570 70.086 -0.516 19974 2702 1 4 . 1 1 38 38 THR H H 38 7.480 7.480 7.664 -0.184 19974 2703 1 4 . 1 1 39 39 SER N N 39 116.050 116.050 121.049 -4.999 19974 2704 1 4 . 1 1 39 39 SER HA H 39 4.641 4.641 4.870 -0.229 19974 2705 1 4 . 1 1 39 39 SER C C 39 175.590 175.590 174.860 0.730 19974 2706 1 4 . 1 1 39 39 SER CA C 39 57.340 57.340 57.529 -0.189 19974 2707 1 4 . 1 1 39 39 SER CB C 39 64.560 64.560 64.810 -0.250 19974 2708 1 4 . 1 1 39 39 SER H H 39 8.177 8.177 8.572 -0.395 19974 2709 1 4 . 1 1 40 40 GLU N N 40 124.630 124.630 121.330 3.300 19974 2710 1 4 . 1 1 40 40 GLU HA H 40 4.118 4.118 4.360 -0.242 19974 2711 1 4 . 1 1 40 40 GLU C C 40 176.520 176.520 176.595 -0.075 19974 2712 1 4 . 1 1 40 40 GLU CA C 40 58.100 58.100 57.545 0.555 19974 2713 1 4 . 1 1 40 40 GLU CB C 40 29.950 29.950 30.023 -0.073 19974 2714 1 4 . 1 1 40 40 GLU H H 40 8.905 8.905 8.597 0.308 19974 2715 1 4 . 1 1 41 41 ILE N N 41 113.290 113.290 119.736 -6.446 19974 2716 1 4 . 1 1 41 41 ILE HA H 41 4.460 4.460 4.221 0.239 19974 2717 1 4 . 1 1 41 41 ILE C C 41 175.350 175.350 175.818 -0.468 19974 2718 1 4 . 1 1 41 41 ILE CA C 41 59.490 59.490 60.685 -1.196 19974 2719 1 4 . 1 1 41 41 ILE CB C 41 40.150 40.150 38.794 1.356 19974 2720 1 4 . 1 1 41 41 ILE H H 41 7.446 7.446 7.519 -0.073 19974 2721 1 4 . 1 1 42 42 ASP N N 42 122.230 122.230 121.027 1.203 19974 2722 1 4 . 1 1 42 42 ASP HA H 42 4.280 4.280 4.906 -0.626 19974 2723 1 4 . 1 1 42 42 ASP C C 42 177.430 177.430 176.862 0.568 19974 2724 1 4 . 1 1 42 42 ASP CA C 42 55.360 55.360 53.145 2.215 19974 2725 1 4 . 1 1 42 42 ASP CB C 42 42.690 42.690 43.359 -0.669 19974 2726 1 4 . 1 1 42 42 ASP H H 42 8.271 8.271 8.213 0.058 19974 2727 1 4 . 1 1 43 43 VAL N N 43 122.150 122.150 123.999 -1.849 19974 2728 1 4 . 1 1 43 43 VAL HA H 43 3.569 3.569 3.459 0.110 19974 2729 1 4 . 1 1 43 43 VAL C C 43 175.780 175.780 177.895 -2.115 19974 2730 1 4 . 1 1 43 43 VAL CA C 43 65.420 65.420 66.156 -0.736 19974 2731 1 4 . 1 1 43 43 VAL CB C 43 31.300 31.300 32.073 -0.773 19974 2732 1 4 . 1 1 43 43 VAL H H 43 8.160 8.160 8.859 -0.699 19974 2733 1 4 . 1 1 44 44 PHE N N 44 121.770 121.770 119.587 2.183 19974 2734 1 4 . 1 1 44 44 PHE HA H 44 3.892 3.892 3.947 -0.055 19974 2735 1 4 . 1 1 44 44 PHE C C 44 177.140 177.140 176.690 0.450 19974 2736 1 4 . 1 1 44 44 PHE CA C 44 62.190 62.190 61.591 0.599 19974 2737 1 4 . 1 1 44 44 PHE CB C 44 38.350 38.350 38.575 -0.225 19974 2738 1 4 . 1 1 44 44 PHE H H 44 8.101 8.101 8.259 -0.158 19974 2739 1 4 . 1 1 45 45 ASP N N 45 119.540 119.540 118.881 0.659 19974 2740 1 4 . 1 1 45 45 ASP HA H 45 4.106 4.106 4.148 -0.042 19974 2741 1 4 . 1 1 45 45 ASP C C 45 178.380 178.380 178.383 -0.003 19974 2742 1 4 . 1 1 45 45 ASP CA C 45 57.010 57.010 57.431 -0.421 19974 2743 1 4 . 1 1 45 45 ASP CB C 45 37.900 37.900 40.269 -2.369 19974 2744 1 4 . 1 1 45 45 ASP H H 45 7.317 7.317 7.907 -0.590 19974 2745 1 4 . 1 1 46 46 ARG N N 46 119.920 119.920 121.369 -1.449 19974 2746 1 4 . 1 1 46 46 ARG HA H 46 3.733 3.733 3.929 -0.196 19974 2747 1 4 . 1 1 46 46 ARG C C 46 176.750 176.750 177.825 -1.075 19974 2748 1 4 . 1 1 46 46 ARG CA C 46 57.136 57.136 58.276 -1.139 19974 2749 1 4 . 1 1 46 46 ARG CB C 46 28.590 28.590 29.572 -0.982 19974 2750 1 4 . 1 1 46 46 ARG H H 46 8.246 8.246 8.280 -0.034 19974 2751 1 4 . 1 1 47 47 ALA N N 47 120.910 120.910 121.666 -0.756 19974 2752 1 4 . 1 1 47 47 ALA HA H 47 3.048 3.048 3.666 -0.618 19974 2753 1 4 . 1 1 47 47 ALA C C 47 177.810 177.810 179.089 -1.279 19974 2754 1 4 . 1 1 47 47 ALA CA C 47 55.010 55.010 54.819 0.191 19974 2755 1 4 . 1 1 47 47 ALA CB C 47 17.400 17.400 17.990 -0.590 19974 2756 1 4 . 1 1 47 47 ALA H H 47 7.803 7.803 7.902 -0.099 19974 2757 1 4 . 1 1 48 48 MET N N 48 115.800 115.800 118.382 -2.582 19974 2758 1 4 . 1 1 48 48 MET HA H 48 2.568 2.568 3.508 -0.940 19974 2759 1 4 . 1 1 48 48 MET C C 48 177.790 177.790 177.478 0.312 19974 2760 1 4 . 1 1 48 48 MET CA C 48 58.910 58.910 59.000 -0.090 19974 2761 1 4 . 1 1 48 48 MET CB C 48 32.750 32.750 32.022 0.728 19974 2762 1 4 . 1 1 48 48 MET H H 48 7.148 7.148 7.597 -0.449 19974 2763 1 4 . 1 1 49 49 ASP N N 49 121.130 121.130 120.080 1.050 19974 2764 1 4 . 1 1 49 49 ASP HA H 49 4.326 4.326 4.283 0.043 19974 2765 1 4 . 1 1 49 49 ASP C C 49 178.960 178.960 179.055 -0.095 19974 2766 1 4 . 1 1 49 49 ASP CA C 49 57.330 57.330 57.620 -0.290 19974 2767 1 4 . 1 1 49 49 ASP CB C 49 40.180 40.180 40.472 -0.292 19974 2768 1 4 . 1 1 49 49 ASP H H 49 7.656 7.656 7.999 -0.343 19974 2769 1 4 . 1 1 50 50 VAL N N 50 122.030 122.030 120.142 1.888 19974 2770 1 4 . 1 1 50 50 VAL HA H 50 3.150 3.150 3.522 -0.372 19974 2771 1 4 . 1 1 50 50 VAL C C 50 176.610 176.610 177.827 -1.217 19974 2772 1 4 . 1 1 50 50 VAL CA C 50 66.980 66.980 66.324 0.656 19974 2773 1 4 . 1 1 50 50 VAL CB C 50 30.450 30.450 31.656 -1.206 19974 2774 1 4 . 1 1 50 50 VAL H H 50 8.506 8.506 8.184 0.322 19974 2775 1 4 . 1 1 51 51 PHE N N 51 120.010 120.010 120.594 -0.584 19974 2776 1 4 . 1 1 51 51 PHE HA H 51 3.701 3.701 4.132 -0.431 19974 2777 1 4 . 1 1 51 51 PHE C C 51 176.990 176.990 177.287 -0.297 19974 2778 1 4 . 1 1 51 51 PHE CA C 51 61.610 61.610 61.649 -0.039 19974 2779 1 4 . 1 1 51 51 PHE CB C 51 39.350 39.350 39.130 0.220 19974 2780 1 4 . 1 1 51 51 PHE H H 51 8.236 8.236 8.215 0.021 19974 2781 1 4 . 1 1 52 52 HIS N N 52 114.400 114.400 117.652 -3.252 19974 2782 1 4 . 1 1 52 52 HIS HA H 52 4.322 4.322 4.752 -0.430 19974 2783 1 4 . 1 1 52 52 HIS C C 52 179.389 179.389 178.476 0.913 19974 2784 1 4 . 1 1 52 52 HIS CA C 52 59.670 59.670 59.049 0.621 19974 2785 1 4 . 1 1 52 52 HIS CB C 52 28.380 28.380 29.966 -1.586 19974 2786 1 4 . 1 1 52 52 HIS H H 52 7.595 7.595 8.362 -0.767 19974 2787 1 4 . 1 1 53 53 ASN N N 53 125.300 125.300 119.499 5.801 19974 2788 1 4 . 1 1 53 53 ASN HA H 53 4.346 4.346 4.574 -0.228 19974 2789 1 4 . 1 1 53 53 ASN C C 53 177.560 177.560 176.920 0.640 19974 2790 1 4 . 1 1 53 53 ASN CA C 53 56.260 56.260 55.603 0.657 19974 2791 1 4 . 1 1 53 53 ASN CB C 53 38.020 38.020 38.250 -0.230 19974 2792 1 4 . 1 1 53 53 ASN H H 53 9.216 9.216 8.658 0.558 19974 2793 1 4 . 1 1 54 54 LEU N N 54 117.070 117.070 118.226 -1.156 19974 2794 1 4 . 1 1 54 54 LEU HA H 54 4.114 4.114 4.337 -0.223 19974 2795 1 4 . 1 1 54 54 LEU C C 54 175.780 175.780 176.111 -0.331 19974 2796 1 4 . 1 1 54 54 LEU CA C 54 54.400 54.400 55.117 -0.716 19974 2797 1 4 . 1 1 54 54 LEU CB C 54 42.810 42.810 41.960 0.850 19974 2798 1 4 . 1 1 54 54 LEU H H 54 8.270 8.270 7.831 0.439 19974 2799 1 4 . 1 1 55 55 LYS N N 55 116.580 116.580 115.533 1.047 19974 2800 1 4 . 1 1 55 55 LYS HA H 55 3.954 3.954 3.956 -0.002 19974 2801 1 4 . 1 1 55 55 LYS C C 55 177.650 177.650 177.052 0.598 19974 2802 1 4 . 1 1 55 55 LYS CA C 55 56.630 56.630 57.102 -0.472 19974 2803 1 4 . 1 1 55 55 LYS CB C 55 28.110 28.110 29.350 -1.240 19974 2804 1 4 . 1 1 55 55 LYS H H 55 7.953 7.953 7.638 0.315 19974 2805 1 4 . 1 1 56 56 MET N N 56 114.460 114.460 116.955 -2.495 19974 2806 1 4 . 1 1 56 56 MET HA H 56 3.624 3.624 3.984 -0.360 19974 2807 1 4 . 1 1 56 56 MET C C 56 174.010 174.010 176.515 -2.505 19974 2808 1 4 . 1 1 56 56 MET CA C 56 56.800 56.800 58.908 -2.108 19974 2809 1 4 . 1 1 56 56 MET CB C 56 28.620 28.620 31.769 -3.149 19974 2810 1 4 . 1 1 56 56 MET H H 56 7.496 7.496 7.565 -0.069 19974 2811 1 4 . 1 1 57 57 ASP N N 57 113.610 113.610 117.249 -3.639 19974 2812 1 4 . 1 1 57 57 ASP HA H 57 4.490 4.490 4.870 -0.380 19974 2813 1 4 . 1 1 57 57 ASP C C 57 176.060 176.060 177.229 -1.169 19974 2814 1 4 . 1 1 57 57 ASP CA C 57 53.030 53.030 55.395 -2.365 19974 2815 1 4 . 1 1 57 57 ASP CB C 57 38.940 38.940 40.052 -1.112 19974 2816 1 4 . 1 1 57 57 ASP H H 57 8.921 8.921 8.369 0.552 19974 2817 1 4 . 1 1 58 58 ASN N N 58 119.880 119.880 119.541 0.339 19974 2818 1 4 . 1 1 58 58 ASN HA H 58 4.885 4.885 4.689 0.196 19974 2819 1 4 . 1 1 58 58 ASN C C 58 174.060 174.060 174.514 -0.454 19974 2820 1 4 . 1 1 58 58 ASN CA C 58 52.190 52.190 52.541 -0.351 19974 2821 1 4 . 1 1 58 58 ASN CB C 58 37.230 37.230 37.294 -0.064 19974 2822 1 4 . 1 1 58 58 ASN H H 58 7.070 7.070 7.722 -0.652 19974 2823 1 4 . 1 1 59 59 THR N N 59 108.570 108.570 110.882 -2.312 19974 2824 1 4 . 1 1 59 59 THR HA H 59 4.449 4.449 4.603 -0.154 19974 2825 1 4 . 1 1 59 59 THR C C 59 175.810 175.810 174.855 0.955 19974 2826 1 4 . 1 1 59 59 THR CA C 59 59.600 59.600 60.283 -0.683 19974 2827 1 4 . 1 1 59 59 THR CB C 59 70.900 70.900 71.936 -1.036 19974 2828 1 4 . 1 1 59 59 THR H H 59 7.636 7.636 7.731 -0.095 19974 2829 1 4 . 1 1 60 60 LYS N N 60 126.400 126.400 126.548 -0.148 19974 2830 1 4 . 1 1 60 60 LYS HA H 60 3.923 3.923 4.158 -0.235 19974 2831 1 4 . 1 1 60 60 LYS C C 60 179.030 179.030 176.844 2.186 19974 2832 1 4 . 1 1 60 60 LYS CA C 60 59.600 59.600 58.886 0.714 19974 2833 1 4 . 1 1 60 60 LYS CB C 60 32.480 32.480 32.476 0.004 19974 2834 1 4 . 1 1 60 60 LYS H H 60 10.322 10.322 8.912 1.410 19974 2835 1 4 . 1 1 61 61 LEU N N 61 114.780 114.780 117.951 -3.171 19974 2836 1 4 . 1 1 61 61 LEU HA H 61 4.430 4.430 4.387 0.043 19974 2837 1 4 . 1 1 61 61 LEU C C 61 175.660 175.660 176.028 -0.368 19974 2838 1 4 . 1 1 61 61 LEU CA C 61 52.830 52.830 54.097 -1.267 19974 2839 1 4 . 1 1 61 61 LEU CB C 61 40.470 40.470 41.917 -1.447 19974 2840 1 4 . 1 1 61 61 LEU H H 61 8.555 8.555 7.948 0.607 19974 2841 1 4 . 1 1 62 62 GLN N N 62 116.490 116.490 114.098 2.392 19974 2842 1 4 . 1 1 62 62 GLN HA H 62 3.715 3.715 3.905 -0.190 19974 2843 1 4 . 1 1 62 62 GLN C C 62 175.060 175.060 174.995 0.065 19974 2844 1 4 . 1 1 62 62 GLN CA C 62 56.440 56.440 56.611 -0.171 19974 2845 1 4 . 1 1 62 62 GLN CB C 62 26.480 26.480 26.204 0.276 19974 2846 1 4 . 1 1 62 62 GLN H H 62 7.526 7.526 7.478 0.048 19974 2847 1 4 . 1 1 63 63 ASN N N 63 114.760 114.760 115.354 -0.594 19974 2848 1 4 . 1 1 63 63 ASN HA H 63 4.352 4.352 4.808 -0.456 19974 2849 1 4 . 1 1 63 63 ASN C C 63 173.790 173.790 174.993 -1.203 19974 2850 1 4 . 1 1 63 63 ASN CA C 63 50.680 50.680 52.671 -1.991 19974 2851 1 4 . 1 1 63 63 ASN CB C 63 35.110 35.110 39.245 -4.135 19974 2852 1 4 . 1 1 63 63 ASN H H 63 8.243 8.243 7.924 0.319 19974 2853 1 4 . 1 1 64 64 GLY N N 64 105.820 105.820 108.243 -2.423 19974 2854 1 4 . 1 1 64 64 GLY C C 64 172.650 172.650 172.907 -0.257 19974 2855 1 4 . 1 1 64 64 GLY CA C 64 44.136 44.136 45.210 -1.074 19974 2856 1 4 . 1 1 64 64 GLY H H 64 8.618 8.618 7.765 0.853 19974 2857 1 4 . 1 1 65 65 VAL N N 65 120.490 120.490 126.214 -5.724 19974 2858 1 4 . 1 1 65 65 VAL HA H 65 4.814 4.814 4.407 0.407 19974 2859 1 4 . 1 1 65 65 VAL C C 65 172.610 172.610 173.933 -1.323 19974 2860 1 4 . 1 1 65 65 VAL CA C 65 60.890 60.890 61.526 -0.636 19974 2861 1 4 . 1 1 65 65 VAL CB C 65 35.570 35.570 34.576 0.994 19974 2862 1 4 . 1 1 65 65 VAL H H 65 9.053 9.053 9.229 -0.176 19974 2863 1 4 . 1 1 66 66 LEU N N 66 127.740 127.740 129.021 -1.281 19974 2864 1 4 . 1 1 66 66 LEU HA H 66 5.097 5.097 5.305 -0.208 19974 2865 1 4 . 1 1 66 66 LEU C C 66 175.120 175.120 175.138 -0.018 19974 2866 1 4 . 1 1 66 66 LEU CA C 66 51.870 51.870 53.340 -1.470 19974 2867 1 4 . 1 1 66 66 LEU CB C 66 47.520 47.520 45.959 1.561 19974 2868 1 4 . 1 1 66 66 LEU H H 66 9.245 9.245 8.731 0.514 19974 2869 1 4 . 1 1 67 67 ILE N N 67 126.030 126.030 128.039 -2.009 19974 2870 1 4 . 1 1 67 67 ILE HA H 67 4.484 4.484 4.427 0.057 19974 2871 1 4 . 1 1 67 67 ILE C C 67 173.290 173.290 174.820 -1.530 19974 2872 1 4 . 1 1 67 67 ILE CA C 67 61.090 61.090 60.976 0.114 19974 2873 1 4 . 1 1 67 67 ILE CB C 67 37.480 37.480 37.429 0.050 19974 2874 1 4 . 1 1 67 67 ILE H H 67 8.974 8.974 9.107 -0.133 19974 2875 1 4 . 1 1 68 68 TYR N N 68 129.400 129.400 130.215 -0.815 19974 2876 1 4 . 1 1 68 68 TYR HA H 68 4.887 4.887 5.234 -0.347 19974 2877 1 4 . 1 1 68 68 TYR C C 68 174.140 174.140 173.953 0.187 19974 2878 1 4 . 1 1 68 68 TYR CA C 68 56.990 56.990 57.417 -0.427 19974 2879 1 4 . 1 1 68 68 TYR CB C 68 40.790 40.790 40.020 0.770 19974 2880 1 4 . 1 1 68 68 TYR H H 68 8.999 8.999 8.806 0.193 19974 2881 1 4 . 1 1 69 69 VAL N N 69 126.790 126.790 128.286 -1.496 19974 2882 1 4 . 1 1 69 69 VAL HA H 69 4.401 4.401 4.497 -0.096 19974 2883 1 4 . 1 1 69 69 VAL C C 69 172.350 172.350 173.491 -1.141 19974 2884 1 4 . 1 1 69 69 VAL CA C 69 60.810 60.810 60.561 0.249 19974 2885 1 4 . 1 1 69 69 VAL CB C 69 34.360 34.360 35.120 -0.760 19974 2886 1 4 . 1 1 69 69 VAL H H 69 8.378 8.378 8.775 -0.397 19974 2887 1 4 . 1 1 70 70 ALA N N 70 129.770 129.770 130.006 -0.236 19974 2888 1 4 . 1 1 70 70 ALA HA H 70 4.592 4.592 5.024 -0.432 19974 2889 1 4 . 1 1 70 70 ALA C C 70 177.620 177.620 177.825 -0.205 19974 2890 1 4 . 1 1 70 70 ALA CA C 70 49.210 49.210 50.099 -0.889 19974 2891 1 4 . 1 1 70 70 ALA CB C 70 17.470 17.470 19.495 -2.025 19974 2892 1 4 . 1 1 70 70 ALA H H 70 8.078 8.078 8.896 -0.818 19974 2893 1 4 . 1 1 71 71 VAL N N 71 120.880 120.880 119.338 1.542 19974 2894 1 4 . 1 1 71 71 VAL HA H 71 2.847 2.847 3.665 -0.818 19974 2895 1 4 . 1 1 71 71 VAL C C 71 178.310 178.310 176.580 1.730 19974 2896 1 4 . 1 1 71 71 VAL CA C 71 66.030 66.030 65.048 0.982 19974 2897 1 4 . 1 1 71 71 VAL CB C 71 32.110 32.110 31.572 0.538 19974 2898 1 4 . 1 1 71 71 VAL H H 71 8.597 8.597 8.725 -0.128 19974 2899 1 4 . 1 1 72 72 GLU N N 72 119.350 119.350 121.645 -2.295 19974 2900 1 4 . 1 1 72 72 GLU HA H 72 3.955 3.955 4.216 -0.261 19974 2901 1 4 . 1 1 72 72 GLU C C 72 177.650 177.650 178.157 -0.507 19974 2902 1 4 . 1 1 72 72 GLU CA C 72 59.260 59.260 58.612 0.648 19974 2903 1 4 . 1 1 72 72 GLU CB C 72 28.940 28.940 29.618 -0.678 19974 2904 1 4 . 1 1 72 72 GLU H H 72 9.107 9.107 8.064 1.043 19974 2905 1 4 . 1 1 73 73 ASP N N 73 115.250 115.250 117.506 -2.256 19974 2906 1 4 . 1 1 73 73 ASP HA H 73 4.544 4.544 4.695 -0.151 19974 2907 1 4 . 1 1 73 73 ASP C C 73 175.460 175.460 176.115 -0.655 19974 2908 1 4 . 1 1 73 73 ASP CA C 73 54.030 54.030 54.393 -0.363 19974 2909 1 4 . 1 1 73 73 ASP CB C 73 41.350 41.350 41.202 0.148 19974 2910 1 4 . 1 1 73 73 ASP H H 73 7.039 7.039 8.421 -1.382 19974 2911 1 4 . 1 1 74 74 LYS N N 74 115.850 115.850 118.057 -2.207 19974 2912 1 4 . 1 1 74 74 LYS HA H 74 3.502 3.502 4.047 -0.545 19974 2913 1 4 . 1 1 74 74 LYS C C 74 174.920 174.920 175.194 -0.274 19974 2914 1 4 . 1 1 74 74 LYS CA C 74 57.180 57.180 57.404 -0.224 19974 2915 1 4 . 1 1 74 74 LYS CB C 74 29.100 29.100 30.789 -1.689 19974 2916 1 4 . 1 1 74 74 LYS H H 74 8.012 8.012 7.841 0.171 19974 2917 1 4 . 1 1 75 75 THR N N 75 111.710 111.710 116.501 -4.791 19974 2918 1 4 . 1 1 75 75 THR HA H 75 4.725 4.725 4.596 0.129 19974 2919 1 4 . 1 1 75 75 THR C C 75 172.150 172.150 173.201 -1.051 19974 2920 1 4 . 1 1 75 75 THR CA C 75 60.740 60.740 61.463 -0.723 19974 2921 1 4 . 1 1 75 75 THR CB C 75 70.900 70.900 69.978 0.922 19974 2922 1 4 . 1 1 75 75 THR H H 75 7.763 7.763 7.531 0.232 19974 2923 1 4 . 1 1 76 76 PHE N N 76 117.220 117.220 125.834 -8.614 19974 2924 1 4 . 1 1 76 76 PHE HA H 76 5.968 5.968 5.282 0.686 19974 2925 1 4 . 1 1 76 76 PHE C C 76 173.250 173.250 173.963 -0.713 19974 2926 1 4 . 1 1 76 76 PHE CA C 76 54.920 54.920 55.532 -0.612 19974 2927 1 4 . 1 1 76 76 PHE CB C 76 42.780 42.780 40.610 2.170 19974 2928 1 4 . 1 1 76 76 PHE H H 76 7.992 7.992 8.388 -0.396 19974 2929 1 4 . 1 1 77 77 VAL N N 77 120.030 120.030 122.217 -2.187 19974 2930 1 4 . 1 1 77 77 VAL HA H 77 4.015 4.015 4.398 -0.383 19974 2931 1 4 . 1 1 77 77 VAL C C 77 173.310 173.310 174.627 -1.317 19974 2932 1 4 . 1 1 77 77 VAL CA C 77 60.840 60.840 60.556 0.284 19974 2933 1 4 . 1 1 77 77 VAL CB C 77 37.410 37.410 36.167 1.243 19974 2934 1 4 . 1 1 77 77 VAL H H 77 9.447 9.447 9.204 0.243 19974 2935 1 4 . 1 1 78 78 ILE N N 78 125.240 125.240 123.180 2.060 19974 2936 1 4 . 1 1 78 78 ILE HA H 78 4.433 4.433 4.970 -0.537 19974 2937 1 4 . 1 1 78 78 ILE C C 78 174.090 174.090 174.801 -0.711 19974 2938 1 4 . 1 1 78 78 ILE CA C 78 60.081 60.081 60.023 0.058 19974 2939 1 4 . 1 1 78 78 ILE CB C 78 38.340 38.340 40.242 -1.903 19974 2940 1 4 . 1 1 78 78 ILE H H 78 8.155 8.155 8.254 -0.099 19974 2941 1 4 . 1 1 79 79 TYR N N 79 130.130 130.130 127.369 2.761 19974 2942 1 4 . 1 1 79 79 TYR HA H 79 4.422 4.422 4.899 -0.477 19974 2943 1 4 . 1 1 79 79 TYR C C 79 172.740 172.740 173.914 -1.174 19974 2944 1 4 . 1 1 79 79 TYR CA C 79 57.390 57.390 57.263 0.127 19974 2945 1 4 . 1 1 79 79 TYR CB C 79 40.820 40.820 42.889 -2.068 19974 2946 1 4 . 1 1 79 79 TYR H H 79 9.328 9.328 8.755 0.573 19974 2947 1 4 . 1 1 80 80 GLY N N 80 114.140 114.140 113.244 0.896 19974 2948 1 4 . 1 1 80 80 GLY C C 80 171.090 171.090 172.787 -1.697 19974 2949 1 4 . 1 1 80 80 GLY CA C 80 42.860 42.860 43.576 -0.716 19974 2950 1 4 . 1 1 80 80 GLY H H 80 7.837 7.837 7.954 -0.117 19974 2951 1 4 . 1 1 81 81 ASP N N 81 115.660 115.660 120.388 -4.728 19974 2952 1 4 . 1 1 81 81 ASP HA H 81 4.248 4.248 4.362 -0.114 19974 2953 1 4 . 1 1 81 81 ASP C C 81 176.980 176.980 177.824 -0.844 19974 2954 1 4 . 1 1 81 81 ASP CA C 81 51.950 51.950 54.359 -2.409 19974 2955 1 4 . 1 1 81 81 ASP CB C 81 41.260 41.260 42.390 -1.130 19974 2956 1 4 . 1 1 81 81 ASP H H 81 7.633 7.633 8.629 -0.996 19974 2957 1 4 . 1 1 82 82 LYS N N 82 120.470 120.470 121.395 -0.925 19974 2958 1 4 . 1 1 82 82 LYS HA H 82 3.764 3.764 3.907 -0.143 19974 2959 1 4 . 1 1 82 82 LYS C C 82 176.350 176.350 178.610 -2.260 19974 2960 1 4 . 1 1 82 82 LYS CA C 82 59.290 59.290 59.745 -0.455 19974 2961 1 4 . 1 1 82 82 LYS CB C 82 33.720 33.720 32.383 1.337 19974 2962 1 4 . 1 1 82 82 LYS H H 82 9.212 9.212 8.711 0.501 19974 2963 1 4 . 1 1 83 83 GLY N N 83 105.260 105.260 106.145 -0.885 19974 2964 1 4 . 1 1 83 83 GLY C C 83 176.540 176.540 175.986 0.554 19974 2965 1 4 . 1 1 83 83 GLY CA C 83 46.260 46.260 46.783 -0.523 19974 2966 1 4 . 1 1 83 83 GLY H H 83 8.367 8.367 8.212 0.155 19974 2967 1 4 . 1 1 84 84 ILE N N 84 117.510 117.510 122.104 -4.594 19974 2968 1 4 . 1 1 84 84 ILE HA H 84 3.644 3.644 3.741 -0.097 19974 2969 1 4 . 1 1 84 84 ILE C C 84 177.010 177.010 177.408 -0.398 19974 2970 1 4 . 1 1 84 84 ILE CA C 84 63.636 63.636 64.344 -0.708 19974 2971 1 4 . 1 1 84 84 ILE CB C 84 38.820 38.820 37.858 0.962 19974 2972 1 4 . 1 1 84 84 ILE H H 84 7.040 7.040 7.336 -0.296 19974 2973 1 4 . 1 1 85 85 ASN N N 85 117.400 117.400 118.390 -0.990 19974 2974 1 4 . 1 1 85 85 ASN HA H 85 4.115 4.115 4.215 -0.100 19974 2975 1 4 . 1 1 85 85 ASN C C 85 176.600 176.600 176.400 0.200 19974 2976 1 4 . 1 1 85 85 ASN CA C 85 55.840 55.840 56.288 -0.448 19974 2977 1 4 . 1 1 85 85 ASN CB C 85 37.720 37.720 38.337 -0.617 19974 2978 1 4 . 1 1 85 85 ASN H H 85 7.351 7.351 7.645 -0.294 19974 2979 1 4 . 1 1 86 86 ASP N N 86 115.890 115.890 118.753 -2.863 19974 2980 1 4 . 1 1 86 86 ASP HA H 86 4.391 4.391 4.581 -0.190 19974 2981 1 4 . 1 1 86 86 ASP C C 86 177.240 177.240 177.355 -0.115 19974 2982 1 4 . 1 1 86 86 ASP CA C 86 56.260 56.260 56.083 0.177 19974 2983 1 4 . 1 1 86 86 ASP CB C 86 41.200 41.200 41.264 -0.064 19974 2984 1 4 . 1 1 86 86 ASP H H 86 8.377 8.377 8.261 0.116 19974 2985 1 4 . 1 1 87 87 VAL N N 87 109.640 109.640 117.289 -7.649 19974 2986 1 4 . 1 1 87 87 VAL HA H 87 4.473 4.473 4.198 0.275 19974 2987 1 4 . 1 1 87 87 VAL C C 87 175.780 175.780 174.879 0.901 19974 2988 1 4 . 1 1 87 87 VAL CA C 87 61.320 61.320 62.465 -1.145 19974 2989 1 4 . 1 1 87 87 VAL CB C 87 34.170 34.170 33.627 0.543 19974 2990 1 4 . 1 1 87 87 VAL H H 87 7.196 7.196 7.523 -0.327 19974 2991 1 4 . 1 1 88 88 VAL N N 88 113.200 113.200 111.939 1.261 19974 2992 1 4 . 1 1 88 88 VAL HA H 88 3.789 3.789 4.285 -0.496 19974 2993 1 4 . 1 1 88 88 VAL C C 88 175.760 175.760 174.266 1.494 19974 2994 1 4 . 1 1 88 88 VAL CA C 88 60.640 60.640 59.147 1.493 19974 2995 1 4 . 1 1 88 88 VAL CB C 88 32.970 32.970 33.831 -0.861 19974 2996 1 4 . 1 1 88 88 VAL H H 88 6.921 6.921 7.626 -0.705 19974 2997 1 4 . 1 1 89 89 SER N N 89 114.460 114.460 116.623 -2.163 19974 2998 1 4 . 1 1 89 89 SER HA H 89 4.546 4.546 4.704 -0.158 19974 2999 1 4 . 1 1 89 89 SER C C 89 175.720 175.720 175.487 0.233 19974 3000 1 4 . 1 1 89 89 SER CA C 89 57.330 57.330 56.851 0.479 19974 3001 1 4 . 1 1 89 89 SER CB C 89 64.500 64.500 65.235 -0.735 19974 3002 1 4 . 1 1 89 89 SER H H 89 7.738 7.738 8.548 -0.810 19974 3003 1 4 . 1 1 90 90 ASP N N 90 120.250 120.250 120.365 -0.115 19974 3004 1 4 . 1 1 90 90 ASP HA H 90 4.361 4.361 4.533 -0.172 19974 3005 1 4 . 1 1 90 90 ASP C C 90 176.630 176.630 177.869 -1.239 19974 3006 1 4 . 1 1 90 90 ASP CA C 90 57.050 57.050 57.221 -0.171 19974 3007 1 4 . 1 1 90 90 ASP CB C 90 40.540 40.540 40.422 0.117 19974 3008 1 4 . 1 1 90 90 ASP H H 90 8.687 8.687 8.905 -0.218 19974 3009 1 4 . 1 1 91 91 ASP N N 91 116.800 116.800 119.414 -2.614 19974 3010 1 4 . 1 1 91 91 ASP HA H 91 4.605 4.605 4.631 -0.026 19974 3011 1 4 . 1 1 91 91 ASP C C 91 177.610 177.610 177.996 -0.386 19974 3012 1 4 . 1 1 91 91 ASP CA C 91 52.890 52.890 56.241 -3.351 19974 3013 1 4 . 1 1 91 91 ASP CB C 91 40.230 40.230 40.806 -0.576 19974 3014 1 4 . 1 1 91 91 ASP H H 91 8.250 8.250 7.862 0.388 19974 3015 1 4 . 1 1 92 92 PHE N N 92 122.130 122.130 121.947 0.183 19974 3016 1 4 . 1 1 92 92 PHE HA H 92 3.857 3.857 4.329 -0.472 19974 3017 1 4 . 1 1 92 92 PHE C C 92 177.040 177.040 176.446 0.594 19974 3018 1 4 . 1 1 92 92 PHE CA C 92 61.910 61.910 61.586 0.324 19974 3019 1 4 . 1 1 92 92 PHE CB C 92 40.696 40.696 39.664 1.032 19974 3020 1 4 . 1 1 92 92 PHE H H 92 7.564 7.564 7.809 -0.245 19974 3021 1 4 . 1 1 93 93 TRP N N 93 113.980 113.980 119.808 -5.828 19974 3022 1 4 . 1 1 93 93 TRP HA H 93 4.726 4.726 4.495 0.231 19974 3023 1 4 . 1 1 93 93 TRP C C 93 176.420 176.420 178.459 -2.039 19974 3024 1 4 . 1 1 93 93 TRP CA C 93 56.020 56.020 60.843 -4.823 19974 3025 1 4 . 1 1 93 93 TRP CB C 93 29.990 29.990 28.894 1.096 19974 3026 1 4 . 1 1 93 93 TRP H H 93 8.532 8.532 8.322 0.210 19974 3027 1 4 . 1 1 94 94 ASP N N 94 122.120 122.120 119.106 3.014 19974 3028 1 4 . 1 1 94 94 ASP HA H 94 4.228 4.228 4.384 -0.156 19974 3029 1 4 . 1 1 94 94 ASP C C 94 178.550 178.550 178.045 0.505 19974 3030 1 4 . 1 1 94 94 ASP CA C 94 59.120 59.120 58.095 1.025 19974 3031 1 4 . 1 1 94 94 ASP CB C 94 39.140 39.140 40.967 -1.827 19974 3032 1 4 . 1 1 94 94 ASP H H 94 7.904 7.904 8.728 -0.824 19974 3033 1 4 . 1 1 95 95 THR N N 95 111.200 111.200 111.687 -0.487 19974 3034 1 4 . 1 1 95 95 THR HA H 95 4.004 4.004 3.993 0.011 19974 3035 1 4 . 1 1 95 95 THR C C 95 177.630 177.630 176.696 0.934 19974 3036 1 4 . 1 1 95 95 THR CA C 95 65.560 65.560 66.502 -0.942 19974 3037 1 4 . 1 1 95 95 THR CB C 95 68.230 68.230 68.419 -0.189 19974 3038 1 4 . 1 1 95 95 THR H H 95 8.559 8.559 7.607 0.952 19974 3039 1 4 . 1 1 96 96 THR N N 96 123.230 123.230 118.715 4.515 19974 3040 1 4 . 1 1 96 96 THR HA H 96 3.725 3.725 3.923 -0.198 19974 3041 1 4 . 1 1 96 96 THR C C 96 175.410 175.410 176.717 -1.307 19974 3042 1 4 . 1 1 96 96 THR CA C 96 68.286 68.286 66.759 1.527 19974 3043 1 4 . 1 1 96 96 THR CB C 96 68.200 68.200 68.395 -0.195 19974 3044 1 4 . 1 1 96 96 THR H H 96 7.991 7.991 7.470 0.521 19974 3045 1 4 . 1 1 97 97 ARG N N 97 119.960 119.960 121.537 -1.577 19974 3046 1 4 . 1 1 97 97 ARG HA H 97 3.829 3.829 4.131 -0.302 19974 3047 1 4 . 1 1 97 97 ARG C C 97 178.320 178.320 178.711 -0.391 19974 3048 1 4 . 1 1 97 97 ARG CA C 97 60.390 60.390 60.242 0.148 19974 3049 1 4 . 1 1 97 97 ARG CB C 97 29.870 29.870 30.226 -0.356 19974 3050 1 4 . 1 1 97 97 ARG H H 97 8.825 8.825 8.142 0.683 19974 3051 1 4 . 1 1 98 98 ASN N N 98 115.680 115.680 118.174 -2.494 19974 3052 1 4 . 1 1 98 98 ASN HA H 98 4.390 4.390 4.450 -0.060 19974 3053 1 4 . 1 1 98 98 ASN C C 98 176.620 176.620 177.358 -0.738 19974 3054 1 4 . 1 1 98 98 ASN CA C 98 56.050 56.050 56.599 -0.549 19974 3055 1 4 . 1 1 98 98 ASN CB C 98 38.220 38.220 38.441 -0.221 19974 3056 1 4 . 1 1 98 98 ASN H H 98 8.508 8.508 8.374 0.134 19974 3057 1 4 . 1 1 99 99 ALA N N 99 120.830 120.830 122.669 -1.839 19974 3058 1 4 . 1 1 99 99 ALA HA H 99 4.020 4.020 3.974 0.046 19974 3059 1 4 . 1 1 99 99 ALA C C 99 179.800 179.800 179.632 0.168 19974 3060 1 4 . 1 1 99 99 ALA CA C 99 54.770 54.770 54.986 -0.216 19974 3061 1 4 . 1 1 99 99 ALA CB C 99 18.110 18.110 18.565 -0.455 19974 3062 1 4 . 1 1 99 99 ALA H H 99 7.447 7.447 7.867 -0.420 19974 3063 1 4 . 1 1 100 100 ILE N N 100 116.240 116.240 118.720 -2.480 19974 3064 1 4 . 1 1 100 100 ILE HA H 100 3.203 3.203 3.692 -0.489 19974 3065 1 4 . 1 1 100 100 ILE C C 100 178.050 178.050 177.670 0.380 19974 3066 1 4 . 1 1 100 100 ILE CA C 100 64.550 64.550 64.535 0.015 19974 3067 1 4 . 1 1 100 100 ILE CB C 100 37.640 37.640 37.261 0.379 19974 3068 1 4 . 1 1 100 100 ILE H H 100 7.339 7.339 7.944 -0.605 19974 3069 1 4 . 1 1 101 101 GLN N N 101 118.750 118.750 120.124 -1.374 19974 3070 1 4 . 1 1 101 101 GLN HA H 101 3.917 3.917 3.711 0.206 19974 3071 1 4 . 1 1 101 101 GLN C C 101 177.870 177.870 178.638 -0.768 19974 3072 1 4 . 1 1 101 101 GLN CA C 101 59.200 59.200 59.408 -0.208 19974 3073 1 4 . 1 1 101 101 GLN CB C 101 28.860 28.860 28.838 0.022 19974 3074 1 4 . 1 1 101 101 GLN H H 101 8.359 8.359 7.908 0.451 19974 3075 1 4 . 1 1 102 102 LEU N N 102 117.790 117.790 118.190 -0.400 19974 3076 1 4 . 1 1 102 102 LEU HA H 102 3.951 3.951 4.047 -0.096 19974 3077 1 4 . 1 1 102 102 LEU C C 102 179.550 179.550 179.286 0.264 19974 3078 1 4 . 1 1 102 102 LEU CA C 102 58.190 58.190 57.576 0.614 19974 3079 1 4 . 1 1 102 102 LEU CB C 102 42.320 42.320 41.791 0.529 19974 3080 1 4 . 1 1 102 102 LEU H H 102 8.119 8.119 8.282 -0.163 19974 3081 1 4 . 1 1 103 103 GLN N N 103 113.650 113.650 117.263 -3.613 19974 3082 1 4 . 1 1 103 103 GLN HA H 103 4.426 4.426 4.212 0.214 19974 3083 1 4 . 1 1 103 103 GLN C C 103 179.680 179.680 178.597 1.083 19974 3084 1 4 . 1 1 103 103 GLN CA C 103 56.550 56.550 57.610 -1.060 19974 3085 1 4 . 1 1 103 103 GLN CB C 103 27.480 27.480 29.175 -1.696 19974 3086 1 4 . 1 1 103 103 GLN H H 103 6.636 6.636 7.584 -0.948 19974 3087 1 4 . 1 1 104 104 PHE N N 104 123.740 123.740 121.211 2.529 19974 3088 1 4 . 1 1 104 104 PHE HA H 104 3.895 3.895 4.355 -0.460 19974 3089 1 4 . 1 1 104 104 PHE C C 104 180.130 180.130 177.725 2.405 19974 3090 1 4 . 1 1 104 104 PHE CA C 104 59.760 59.760 61.772 -2.012 19974 3091 1 4 . 1 1 104 104 PHE CB C 104 36.620 36.620 38.889 -2.268 19974 3092 1 4 . 1 1 104 104 PHE H H 104 9.161 9.161 8.688 0.473 19974 3093 1 4 . 1 1 105 105 LYS N N 105 119.280 119.280 118.364 0.916 19974 3094 1 4 . 1 1 105 105 LYS HA H 105 4.126 4.126 4.123 0.003 19974 3095 1 4 . 1 1 105 105 LYS C C 105 177.290 177.290 178.262 -0.972 19974 3096 1 4 . 1 1 105 105 LYS CA C 105 58.913 58.913 58.810 0.103 19974 3097 1 4 . 1 1 105 105 LYS CB C 105 31.920 31.920 32.334 -0.414 19974 3098 1 4 . 1 1 105 105 LYS H H 105 8.519 8.519 8.281 0.238 19974 3099 1 4 . 1 1 106 106 GLN N N 106 114.530 114.530 115.860 -1.330 19974 3100 1 4 . 1 1 106 106 GLN HA H 106 4.415 4.415 4.264 0.151 19974 3101 1 4 . 1 1 106 106 GLN C C 106 175.450 175.450 176.739 -1.289 19974 3102 1 4 . 1 1 106 106 GLN CA C 106 54.850 54.850 56.558 -1.708 19974 3103 1 4 . 1 1 106 106 GLN CB C 106 30.010 30.010 29.584 0.426 19974 3104 1 4 . 1 1 106 106 GLN H H 106 6.934 6.934 7.398 -0.464 19974 3105 1 4 . 1 1 107 107 GLY N N 107 106.800 106.800 107.126 -0.326 19974 3106 1 4 . 1 1 107 107 GLY C C 107 173.140 173.140 173.551 -0.411 19974 3107 1 4 . 1 1 107 107 GLY CA C 107 44.930 44.930 44.589 0.341 19974 3108 1 4 . 1 1 107 107 GLY H H 107 7.722 7.722 8.045 -0.323 19974 3109 1 4 . 1 1 108 108 ASN N N 108 120.230 120.230 120.102 0.128 19974 3110 1 4 . 1 1 108 108 ASN HA H 108 4.827 4.827 4.777 0.050 19974 3111 1 4 . 1 1 108 108 ASN C C 108 174.820 174.820 175.283 -0.463 19974 3112 1 4 . 1 1 108 108 ASN CA C 108 50.520 50.520 50.620 -0.100 19974 3113 1 4 . 1 1 108 108 ASN CB C 108 37.090 37.090 38.355 -1.265 19974 3114 1 4 . 1 1 108 108 ASN H H 108 7.654 7.654 7.851 -0.197 19974 3115 1 4 . 1 1 109 109 PHE N N 109 122.130 122.130 125.254 -3.124 19974 3116 1 4 . 1 1 109 109 PHE HA H 109 4.038 4.038 3.360 0.678 19974 3117 1 4 . 1 1 109 109 PHE C C 109 177.270 177.270 177.365 -0.095 19974 3118 1 4 . 1 1 109 109 PHE CA C 109 60.670 60.670 58.140 2.530 19974 3119 1 4 . 1 1 109 109 PHE CB C 109 38.220 38.220 37.987 0.233 19974 3120 1 4 . 1 1 109 109 PHE H H 109 7.231 7.231 8.284 -1.053 19974 3121 1 4 . 1 1 110 110 LYS N N 110 118.670 118.670 120.965 -2.295 19974 3122 1 4 . 1 1 110 110 LYS HA H 110 3.610 3.610 3.902 -0.292 19974 3123 1 4 . 1 1 110 110 LYS C C 110 177.680 177.680 178.672 -0.992 19974 3124 1 4 . 1 1 110 110 LYS CA C 110 60.050 60.050 60.147 -0.097 19974 3125 1 4 . 1 1 110 110 LYS CB C 110 29.680 29.680 31.965 -2.284 19974 3126 1 4 . 1 1 110 110 LYS H H 110 8.727 8.727 8.057 0.670 19974 3127 1 4 . 1 1 111 111 GLN N N 111 117.980 117.980 117.590 0.390 19974 3128 1 4 . 1 1 111 111 GLN HA H 111 3.491 3.491 4.049 -0.558 19974 3129 1 4 . 1 1 111 111 GLN C C 111 177.640 177.640 178.650 -1.010 19974 3130 1 4 . 1 1 111 111 GLN CA C 111 57.530 57.530 58.864 -1.335 19974 3131 1 4 . 1 1 111 111 GLN CB C 111 28.460 28.460 28.620 -0.160 19974 3132 1 4 . 1 1 111 111 GLN H H 111 8.442 8.442 8.721 -0.279 19974 3133 1 4 . 1 1 112 112 GLY N N 112 103.740 103.740 108.084 -4.344 19974 3134 1 4 . 1 1 112 112 GLY C C 112 173.970 173.970 176.244 -2.274 19974 3135 1 4 . 1 1 112 112 GLY CA C 112 48.730 48.730 47.056 1.674 19974 3136 1 4 . 1 1 112 112 GLY H H 112 8.196 8.196 7.954 0.242 19974 3137 1 4 . 1 1 113 113 LEU N N 113 119.640 119.640 122.866 -3.226 19974 3138 1 4 . 1 1 113 113 LEU HA H 113 3.868 3.868 4.018 -0.150 19974 3139 1 4 . 1 1 113 113 LEU C C 113 177.480 177.480 178.887 -1.407 19974 3140 1 4 . 1 1 113 113 LEU CA C 113 58.150 58.150 57.736 0.415 19974 3141 1 4 . 1 1 113 113 LEU CB C 113 41.920 41.920 42.030 -0.110 19974 3142 1 4 . 1 1 113 113 LEU H H 113 7.614 7.614 8.016 -0.402 19974 3143 1 4 . 1 1 114 114 VAL N N 114 118.510 118.510 120.516 -2.006 19974 3144 1 4 . 1 1 114 114 VAL HA H 114 3.269 3.269 3.503 -0.234 19974 3145 1 4 . 1 1 114 114 VAL C C 114 177.330 177.330 178.020 -0.690 19974 3146 1 4 . 1 1 114 114 VAL CA C 114 67.787 67.787 67.339 0.448 19974 3147 1 4 . 1 1 114 114 VAL CB C 114 31.600 31.600 31.543 0.058 19974 3148 1 4 . 1 1 114 114 VAL H H 114 8.284 8.284 8.511 -0.227 19974 3149 1 4 . 1 1 115 115 ASP N N 115 119.440 119.440 119.176 0.264 19974 3150 1 4 . 1 1 115 115 ASP HA H 115 4.261 4.261 4.492 -0.231 19974 3151 1 4 . 1 1 115 115 ASP C C 115 179.840 179.840 179.021 0.819 19974 3152 1 4 . 1 1 115 115 ASP CA C 115 56.950 56.950 57.185 -0.235 19974 3153 1 4 . 1 1 115 115 ASP CB C 115 39.840 39.840 40.066 -0.226 19974 3154 1 4 . 1 1 115 115 ASP H H 115 8.724 8.724 8.522 0.202 19974 3155 1 4 . 1 1 116 116 GLY N N 116 107.280 107.280 108.603 -1.323 19974 3156 1 4 . 1 1 116 116 GLY C C 116 174.130 174.130 176.047 -1.917 19974 3157 1 4 . 1 1 116 116 GLY CA C 116 47.190 47.190 46.816 0.374 19974 3158 1 4 . 1 1 116 116 GLY H H 116 8.370 8.370 7.765 0.605 19974 3159 1 4 . 1 1 117 117 ILE N N 117 123.350 123.350 122.962 0.388 19974 3160 1 4 . 1 1 117 117 ILE HA H 117 3.307 3.307 3.623 -0.316 19974 3161 1 4 . 1 1 117 117 ILE C C 117 176.750 176.750 177.243 -0.493 19974 3162 1 4 . 1 1 117 117 ILE CA C 117 66.168 66.168 65.487 0.681 19974 3163 1 4 . 1 1 117 117 ILE CB C 117 37.760 37.760 38.046 -0.286 19974 3164 1 4 . 1 1 117 117 ILE H H 117 8.573 8.573 8.370 0.203 19974 3165 1 4 . 1 1 118 118 GLU N N 118 119.220 119.220 120.249 -1.029 19974 3166 1 4 . 1 1 118 118 GLU HA H 118 4.003 4.003 3.893 0.110 19974 3167 1 4 . 1 1 118 118 GLU C C 118 180.600 180.600 178.621 1.979 19974 3168 1 4 . 1 1 118 118 GLU CA C 118 59.472 59.472 59.801 -0.329 19974 3169 1 4 . 1 1 118 118 GLU CB C 118 29.310 29.310 29.231 0.079 19974 3170 1 4 . 1 1 118 118 GLU H H 118 7.998 7.998 8.229 -0.231 19974 3171 1 4 . 1 1 119 119 LYS N N 119 118.270 118.270 119.404 -1.134 19974 3172 1 4 . 1 1 119 119 LYS HA H 119 3.897 3.897 3.939 -0.042 19974 3173 1 4 . 1 1 119 119 LYS C C 119 179.040 179.040 178.839 0.201 19974 3174 1 4 . 1 1 119 119 LYS CA C 119 58.090 58.090 59.339 -1.249 19974 3175 1 4 . 1 1 119 119 LYS CB C 119 31.340 31.340 32.270 -0.930 19974 3176 1 4 . 1 1 119 119 LYS H H 119 7.846 7.846 7.731 0.115 19974 3177 1 4 . 1 1 120 120 ALA N N 120 125.280 125.280 122.194 3.086 19974 3178 1 4 . 1 1 120 120 ALA HA H 120 4.195 4.195 3.966 0.229 19974 3179 1 4 . 1 1 120 120 ALA C C 120 180.230 180.230 179.601 0.629 19974 3180 1 4 . 1 1 120 120 ALA CA C 120 55.040 55.040 54.965 0.075 19974 3181 1 4 . 1 1 120 120 ALA CB C 120 17.380 17.380 18.354 -0.974 19974 3182 1 4 . 1 1 120 120 ALA H H 120 9.092 9.092 7.860 1.232 19974 3183 1 4 . 1 1 121 121 GLY N N 121 104.130 104.130 106.764 -2.634 19974 3184 1 4 . 1 1 121 121 GLY C C 121 174.930 174.930 176.311 -1.381 19974 3185 1 4 . 1 1 121 121 GLY CA C 121 47.590 47.590 47.036 0.554 19974 3186 1 4 . 1 1 121 121 GLY H H 121 8.606 8.606 8.591 0.015 19974 3187 1 4 . 1 1 122 122 MET N N 122 117.000 117.000 120.960 -3.960 19974 3188 1 4 . 1 1 122 122 MET HA H 122 4.183 4.183 4.086 0.097 19974 3189 1 4 . 1 1 122 122 MET C C 122 178.500 178.500 178.350 0.150 19974 3190 1 4 . 1 1 122 122 MET CA C 122 57.470 57.470 59.144 -1.674 19974 3191 1 4 . 1 1 122 122 MET CB C 122 32.200 32.200 32.683 -0.483 19974 3192 1 4 . 1 1 122 122 MET H H 122 7.284 7.284 8.214 -0.930 19974 3193 1 4 . 1 1 123 123 ALA N N 123 124.060 124.060 121.701 2.359 19974 3194 1 4 . 1 1 123 123 ALA HA H 123 4.076 4.076 4.269 -0.193 19974 3195 1 4 . 1 1 123 123 ALA C C 123 180.880 180.880 180.400 0.480 19974 3196 1 4 . 1 1 123 123 ALA CA C 123 54.760 54.760 54.700 0.060 19974 3197 1 4 . 1 1 123 123 ALA CB C 123 17.590 17.590 18.363 -0.772 19974 3198 1 4 . 1 1 123 123 ALA H H 123 8.308 8.308 8.032 0.276 19974 3199 1 4 . 1 1 124 124 LEU N N 124 117.060 117.060 120.548 -3.488 19974 3200 1 4 . 1 1 124 124 LEU HA H 124 4.270 4.270 4.287 -0.017 19974 3201 1 4 . 1 1 124 124 LEU C C 124 179.170 179.170 179.102 0.068 19974 3202 1 4 . 1 1 124 124 LEU CA C 124 57.840 57.840 58.113 -0.273 19974 3203 1 4 . 1 1 124 124 LEU CB C 124 42.920 42.920 41.960 0.960 19974 3204 1 4 . 1 1 124 124 LEU H H 124 8.871 8.871 8.681 0.190 19974 3205 1 4 . 1 1 125 125 ALA N N 125 120.950 120.950 120.720 0.230 19974 3206 1 4 . 1 1 125 125 ALA HA H 125 3.956 3.956 4.428 -0.472 19974 3207 1 4 . 1 1 125 125 ALA C C 125 177.740 177.740 178.985 -1.245 19974 3208 1 4 . 1 1 125 125 ALA CA C 125 55.220 55.220 54.767 0.453 19974 3209 1 4 . 1 1 125 125 ALA CB C 125 19.180 19.180 18.447 0.734 19974 3210 1 4 . 1 1 125 125 ALA H H 125 7.829 7.829 8.496 -0.667 19974 3211 1 4 . 1 1 126 126 LYS N N 126 113.320 113.320 118.016 -4.696 19974 3212 1 4 . 1 1 126 126 LYS HA H 126 3.798 3.798 4.066 -0.268 19974 3213 1 4 . 1 1 126 126 LYS C C 126 176.550 176.550 178.066 -1.516 19974 3214 1 4 . 1 1 126 126 LYS CA C 126 58.490 58.490 58.578 -0.088 19974 3215 1 4 . 1 1 126 126 LYS CB C 126 32.620 32.620 32.553 0.067 19974 3216 1 4 . 1 1 126 126 LYS H H 126 6.971 6.971 7.644 -0.673 19974 3217 1 4 . 1 1 127 127 TYR N N 127 113.850 113.850 117.025 -3.175 19974 3218 1 4 . 1 1 127 127 TYR HA H 127 4.067 4.067 4.165 -0.098 19974 3219 1 4 . 1 1 127 127 TYR C C 127 174.390 174.390 176.026 -1.636 19974 3220 1 4 . 1 1 127 127 TYR CA C 127 58.770 58.770 60.319 -1.549 19974 3221 1 4 . 1 1 127 127 TYR CB C 127 41.930 41.930 39.496 2.434 19974 3222 1 4 . 1 1 127 127 TYR H H 127 6.817 6.817 7.733 -0.916 19974 3223 1 4 . 1 1 128 128 PHE N N 128 116.130 116.130 116.944 -0.814 19974 3224 1 4 . 1 1 128 128 PHE HA H 128 4.907 4.907 5.044 -0.137 19974 3225 1 4 . 1 1 128 128 PHE C C 128 172.450 172.450 173.686 -1.236 19974 3226 1 4 . 1 1 128 128 PHE CA C 128 55.003 55.003 54.734 0.269 19974 3227 1 4 . 1 1 128 128 PHE CB C 128 38.550 38.550 39.671 -1.121 19974 3228 1 4 . 1 1 128 128 PHE H H 128 8.688 8.688 8.454 0.234 19974 3229 1 4 . 1 1 129 129 PRO HA H 129 4.680 4.680 4.664 0.016 19974 3230 1 4 . 1 1 129 129 PRO C C 129 175.720 175.720 176.668 -0.948 19974 3231 1 4 . 1 1 129 129 PRO CA C 129 63.382 63.382 62.670 0.712 19974 3232 1 4 . 1 1 129 129 PRO CB C 129 31.810 31.810 32.339 -0.529 19974 3233 1 4 . 1 1 130 130 TRP N N 130 123.170 123.170 127.676 -4.506 19974 3234 1 4 . 1 1 130 130 TRP HA H 130 4.031 4.031 4.554 -0.523 19974 3235 1 4 . 1 1 130 130 TRP C C 130 175.310 175.310 175.661 -0.351 19974 3236 1 4 . 1 1 130 130 TRP CA C 130 59.510 59.510 58.593 0.917 19974 3237 1 4 . 1 1 130 130 TRP CB C 130 29.300 29.300 30.302 -1.002 19974 3238 1 4 . 1 1 130 130 TRP H H 130 7.910 7.910 8.672 -0.762 19974 3239 1 4 . 1 1 131 131 LYS N N 131 127.060 127.060 123.748 3.312 19974 3240 1 4 . 1 1 131 131 LYS HA H 131 4.260 4.260 4.301 -0.041 19974 3241 1 4 . 1 1 131 131 LYS C C 131 174.450 174.450 176.334 -1.884 19974 3242 1 4 . 1 1 131 131 LYS CA C 131 53.240 53.240 53.510 -0.270 19974 3243 1 4 . 1 1 131 131 LYS CB C 131 35.250 35.250 34.468 0.782 19974 3244 1 4 . 1 1 131 131 LYS H H 131 8.097 8.097 7.587 0.510 19974 3245 1 4 . 1 1 132 132 LYS N N 132 116.250 116.250 122.178 -5.928 19974 3246 1 4 . 1 1 132 132 LYS HA H 132 3.398 3.398 3.595 -0.198 19974 3247 1 4 . 1 1 132 132 LYS C C 132 176.550 176.550 176.389 0.161 19974 3248 1 4 . 1 1 132 132 LYS CA C 132 58.140 58.140 58.297 -0.157 19974 3249 1 4 . 1 1 132 132 LYS CB C 132 31.880 31.880 32.300 -0.420 19974 3250 1 4 . 1 1 132 132 LYS H H 132 7.761 7.761 8.554 -0.793 19974 3251 1 4 . 1 1 133 133 ASP N N 133 116.600 116.600 116.874 -0.274 19974 3252 1 4 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.642 -0.291 19974 3253 1 4 . 1 1 133 133 ASP C C 133 175.320 175.320 175.654 -0.334 19974 3254 1 4 . 1 1 133 133 ASP CA C 133 52.520 52.520 53.547 -1.028 19974 3255 1 4 . 1 1 133 133 ASP CB C 133 38.720 38.720 40.193 -1.473 19974 3256 1 4 . 1 1 133 133 ASP H H 133 7.633 7.633 7.674 -0.041 19974 3257 1 4 . 1 1 134 134 ASP N N 134 119.140 119.140 120.378 -1.238 19974 3258 1 4 . 1 1 134 134 ASP HA H 134 3.989 3.989 4.340 -0.351 19974 3259 1 4 . 1 1 134 134 ASP C C 134 175.500 175.500 176.083 -0.583 19974 3260 1 4 . 1 1 134 134 ASP CA C 134 56.410 56.410 55.277 1.133 19974 3261 1 4 . 1 1 134 134 ASP CB C 134 42.740 42.740 41.477 1.263 19974 3262 1 4 . 1 1 134 134 ASP H H 134 7.251 7.251 7.354 -0.103 19974 3263 1 4 . 1 1 135 135 ILE N N 135 123.230 123.230 120.562 2.668 19974 3264 1 4 . 1 1 135 135 ILE HA H 135 4.301 4.301 4.469 -0.168 19974 3265 1 4 . 1 1 135 135 ILE C C 135 176.300 176.300 174.737 1.563 19974 3266 1 4 . 1 1 135 135 ILE CA C 135 58.640 58.640 59.223 -0.583 19974 3267 1 4 . 1 1 135 135 ILE CB C 135 40.800 40.800 37.895 2.905 19974 3268 1 4 . 1 1 135 135 ILE H H 135 8.351 8.351 8.185 0.166 19974 3269 1 4 . 1 1 136 136 ASP N N 136 131.670 131.670 128.395 3.275 19974 3270 1 4 . 1 1 136 136 ASP HA H 136 5.640 5.640 4.805 0.835 19974 3271 1 4 . 1 1 136 136 ASP C C 136 176.150 176.150 175.964 0.186 19974 3272 1 4 . 1 1 136 136 ASP CA C 136 52.560 52.560 54.039 -1.479 19974 3273 1 4 . 1 1 136 136 ASP CB C 136 38.180 38.180 41.132 -2.952 19974 3274 1 4 . 1 1 136 136 ASP H H 136 9.036 9.036 8.680 0.356 19974 3275 1 4 . 1 1 137 137 GLU N N 137 125.270 125.270 122.893 2.377 19974 3276 1 4 . 1 1 137 137 GLU HA H 137 3.735 3.735 4.441 -0.706 19974 3277 1 4 . 1 1 137 137 GLU C C 137 176.110 176.110 176.248 -0.138 19974 3278 1 4 . 1 1 137 137 GLU CA C 137 59.490 59.490 56.048 3.442 19974 3279 1 4 . 1 1 137 137 GLU CB C 137 32.880 32.880 30.615 2.265 19974 3280 1 4 . 1 1 137 137 GLU H H 137 8.435 8.435 8.765 -0.330 19974 3281 1 4 . 1 1 138 138 LEU N N 138 117.210 117.210 122.384 -5.174 19974 3282 1 4 . 1 1 138 138 LEU HA H 138 4.960 4.960 4.725 0.235 19974 3283 1 4 . 1 1 138 138 LEU C C 138 173.560 173.560 174.670 -1.110 19974 3284 1 4 . 1 1 138 138 LEU CA C 138 50.310 50.310 52.036 -1.726 19974 3285 1 4 . 1 1 138 138 LEU CB C 138 41.350 41.350 43.722 -2.372 19974 3286 1 4 . 1 1 138 138 LEU H H 138 8.308 8.308 7.635 0.673 19974 3287 1 4 . 1 1 139 139 PRO HA H 139 4.335 4.335 4.618 -0.283 19974 3288 1 4 . 1 1 139 139 PRO C C 139 177.700 177.700 176.083 1.617 19974 3289 1 4 . 1 1 139 139 PRO CA C 139 62.550 62.550 62.567 -0.017 19974 3290 1 4 . 1 1 139 139 PRO CB C 139 32.520 32.520 32.679 -0.160 19974 3291 1 4 . 1 1 140 140 ASN N N 140 120.930 120.930 119.464 1.466 19974 3292 1 4 . 1 1 140 140 ASN HA H 140 4.730 4.730 4.707 0.023 19974 3293 1 4 . 1 1 140 140 ASN C C 140 174.460 174.460 174.965 -0.505 19974 3294 1 4 . 1 1 140 140 ASN CA C 140 52.790 52.790 53.678 -0.888 19974 3295 1 4 . 1 1 140 140 ASN CB C 140 38.520 38.520 39.519 -0.999 19974 3296 1 4 . 1 1 140 140 ASN H H 140 9.213 9.213 8.741 0.472 19974 3297 1 4 . 1 1 141 141 THR N N 141 107.730 107.730 112.825 -5.095 19974 3298 1 4 . 1 1 141 141 THR HA H 141 3.853 3.853 4.366 -0.513 19974 3299 1 4 . 1 1 141 141 THR C C 141 176.410 176.410 174.641 1.769 19974 3300 1 4 . 1 1 141 141 THR CA C 141 61.560 61.560 61.736 -0.176 19974 3301 1 4 . 1 1 141 141 THR CB C 141 69.450 69.450 70.115 -0.666 19974 3302 1 4 . 1 1 141 141 THR H H 141 7.003 7.003 7.467 -0.464 19974 3303 1 4 . 1 1 142 142 ILE N N 142 129.530 129.530 121.999 7.531 19974 3304 1 4 . 1 1 142 142 ILE HA H 142 3.976 3.976 3.965 0.011 19974 3305 1 4 . 1 1 142 142 ILE C C 142 176.020 176.020 176.193 -0.173 19974 3306 1 4 . 1 1 142 142 ILE CA C 142 62.150 62.150 61.662 0.488 19974 3307 1 4 . 1 1 142 142 ILE CB C 142 37.890 37.890 38.288 -0.398 19974 3308 1 4 . 1 1 142 142 ILE H H 142 9.030 9.030 8.209 0.821 19974 3309 1 4 . 1 1 143 143 SER N N 143 124.630 124.630 122.223 2.407 19974 3310 1 4 . 1 1 143 143 SER HA H 143 4.481 4.481 4.775 -0.294 19974 3311 1 4 . 1 1 143 143 SER C C 143 172.920 172.920 172.673 0.247 19974 3312 1 4 . 1 1 143 143 SER CA C 143 57.120 57.120 57.329 -0.209 19974 3313 1 4 . 1 1 143 143 SER CB C 143 60.710 60.710 64.775 -4.065 19974 3314 1 4 . 1 1 143 143 SER H H 143 8.709 8.709 8.447 0.262 19974 3315 1 4 . 1 1 144 144 LYS N N 144 126.170 126.170 124.032 2.138 19974 3316 1 4 . 1 1 144 144 LYS HA H 144 4.954 4.954 4.762 0.192 19974 3317 1 4 . 1 1 144 144 LYS C C 144 175.910 175.910 176.176 -0.266 19974 3318 1 4 . 1 1 144 144 LYS CA C 144 54.580 54.580 54.567 0.013 19974 3319 1 4 . 1 1 144 144 LYS CB C 144 35.170 35.170 36.380 -1.210 19974 3320 1 4 . 1 1 144 144 LYS H H 144 8.043 8.043 8.411 -0.368 19974 3321 1 5 . 1 1 3 3 LYS HA H 3 4.317 4.317 4.524 -0.207 19974 3322 1 5 . 1 1 3 3 LYS C C 3 176.840 176.840 176.748 0.092 19974 3323 1 5 . 1 1 3 3 LYS CA C 3 56.180 56.180 55.302 0.878 19974 3324 1 5 . 1 1 3 3 LYS CB C 3 33.030 33.030 33.188 -0.159 19974 3325 1 5 . 1 1 4 4 ILE N N 4 122.990 122.990 127.570 -4.580 19974 3326 1 5 . 1 1 4 4 ILE HA H 4 3.919 3.919 3.629 0.290 19974 3327 1 5 . 1 1 4 4 ILE C C 4 176.120 176.120 177.881 -1.761 19974 3328 1 5 . 1 1 4 4 ILE CA C 4 61.530 61.530 63.992 -2.462 19974 3329 1 5 . 1 1 4 4 ILE CB C 4 38.040 38.040 38.236 -0.196 19974 3330 1 5 . 1 1 4 4 ILE H H 4 8.391 8.391 9.051 -0.660 19974 3331 1 5 . 1 1 5 5 GLU N N 5 123.430 123.430 119.506 3.924 19974 3332 1 5 . 1 1 5 5 GLU HA H 5 4.116 4.116 4.031 0.085 19974 3333 1 5 . 1 1 5 5 GLU C C 5 175.830 175.830 176.639 -0.809 19974 3334 1 5 . 1 1 5 5 GLU CA C 5 56.900 56.900 58.385 -1.485 19974 3335 1 5 . 1 1 5 5 GLU CB C 5 29.350 29.350 29.746 -0.396 19974 3336 1 5 . 1 1 5 5 GLU H H 5 8.508 8.508 8.247 0.261 19974 3337 1 5 . 1 1 6 6 GLU N N 6 119.490 119.490 116.033 3.457 19974 3338 1 5 . 1 1 6 6 GLU HA H 6 4.128 4.128 4.513 -0.385 19974 3339 1 5 . 1 1 6 6 GLU C C 6 176.270 176.270 174.937 1.333 19974 3340 1 5 . 1 1 6 6 GLU CA C 6 55.700 55.700 55.393 0.307 19974 3341 1 5 . 1 1 6 6 GLU CB C 6 30.190 30.190 31.300 -1.110 19974 3342 1 5 . 1 1 6 6 GLU H H 6 7.843 7.843 7.611 0.232 19974 3343 1 5 . 1 1 7 7 PHE N N 7 121.090 121.090 125.873 -4.783 19974 3344 1 5 . 1 1 7 7 PHE HA H 7 4.284 4.284 4.259 0.025 19974 3345 1 5 . 1 1 7 7 PHE C C 7 174.810 174.810 175.153 -0.343 19974 3346 1 5 . 1 1 7 7 PHE CA C 7 59.660 59.660 60.501 -0.841 19974 3347 1 5 . 1 1 7 7 PHE CB C 7 39.990 39.990 39.636 0.354 19974 3348 1 5 . 1 1 7 7 PHE H H 7 8.092 8.092 8.778 -0.686 19974 3349 1 5 . 1 1 8 8 LEU N N 8 116.700 116.700 114.860 1.840 19974 3350 1 5 . 1 1 8 8 LEU HA H 8 4.792 4.792 4.750 0.042 19974 3351 1 5 . 1 1 8 8 LEU C C 8 176.940 176.940 177.265 -0.325 19974 3352 1 5 . 1 1 8 8 LEU CA C 8 52.730 52.730 53.276 -0.546 19974 3353 1 5 . 1 1 8 8 LEU CB C 8 45.650 45.650 43.894 1.756 19974 3354 1 5 . 1 1 8 8 LEU H H 8 7.721 7.721 7.876 -0.155 19974 3355 1 5 . 1 1 9 9 THR N N 9 113.700 113.700 108.939 4.761 19974 3356 1 5 . 1 1 9 9 THR HA H 9 4.397 4.397 4.768 -0.371 19974 3357 1 5 . 1 1 9 9 THR C C 9 175.410 175.410 175.581 -0.171 19974 3358 1 5 . 1 1 9 9 THR CA C 9 60.650 60.650 59.753 0.897 19974 3359 1 5 . 1 1 9 9 THR CB C 9 70.800 70.800 71.685 -0.885 19974 3360 1 5 . 1 1 9 9 THR H H 9 9.224 9.224 8.432 0.792 19974 3361 1 5 . 1 1 10 10 ALA N N 10 123.350 123.350 123.587 -0.237 19974 3362 1 5 . 1 1 10 10 ALA HA H 10 4.036 4.036 4.112 -0.076 19974 3363 1 5 . 1 1 10 10 ALA C C 10 181.050 181.050 179.479 1.571 19974 3364 1 5 . 1 1 10 10 ALA CA C 10 55.500 55.500 54.767 0.732 19974 3365 1 5 . 1 1 10 10 ALA CB C 10 17.914 17.914 18.419 -0.505 19974 3366 1 5 . 1 1 10 10 ALA H H 10 8.881 8.881 9.053 -0.172 19974 3367 1 5 . 1 1 11 11 GLU N N 11 117.680 117.680 118.881 -1.201 19974 3368 1 5 . 1 1 11 11 GLU HA H 11 3.949 3.949 4.076 -0.127 19974 3369 1 5 . 1 1 11 11 GLU C C 11 179.500 179.500 179.003 0.497 19974 3370 1 5 . 1 1 11 11 GLU CA C 11 59.490 59.490 59.157 0.333 19974 3371 1 5 . 1 1 11 11 GLU CB C 11 29.120 29.120 29.264 -0.144 19974 3372 1 5 . 1 1 11 11 GLU H H 11 8.460 8.460 7.926 0.534 19974 3373 1 5 . 1 1 12 12 GLU N N 12 121.860 121.860 119.872 1.988 19974 3374 1 5 . 1 1 12 12 GLU HA H 12 3.818 3.818 4.043 -0.225 19974 3375 1 5 . 1 1 12 12 GLU C C 12 178.130 178.130 179.303 -1.173 19974 3376 1 5 . 1 1 12 12 GLU CA C 12 59.210 59.210 59.322 -0.112 19974 3377 1 5 . 1 1 12 12 GLU CB C 12 30.800 30.800 29.640 1.161 19974 3378 1 5 . 1 1 12 12 GLU H H 12 7.698 7.698 7.604 0.094 19974 3379 1 5 . 1 1 13 13 GLU N N 13 118.170 118.170 118.947 -0.777 19974 3380 1 5 . 1 1 13 13 GLU HA H 13 3.640 3.640 4.099 -0.459 19974 3381 1 5 . 1 1 13 13 GLU C C 13 178.070 178.070 178.544 -0.474 19974 3382 1 5 . 1 1 13 13 GLU CA C 13 60.539 60.539 59.067 1.472 19974 3383 1 5 . 1 1 13 13 GLU CB C 13 29.130 29.130 29.560 -0.430 19974 3384 1 5 . 1 1 13 13 GLU H H 13 8.493 8.493 8.559 -0.066 19974 3385 1 5 . 1 1 14 14 LYS N N 14 117.980 117.980 120.508 -2.528 19974 3386 1 5 . 1 1 14 14 LYS HA H 14 3.887 3.887 3.990 -0.103 19974 3387 1 5 . 1 1 14 14 LYS C C 14 177.420 177.420 178.655 -1.235 19974 3388 1 5 . 1 1 14 14 LYS CA C 14 59.350 59.350 59.398 -0.048 19974 3389 1 5 . 1 1 14 14 LYS CB C 14 32.200 32.200 32.376 -0.176 19974 3390 1 5 . 1 1 14 14 LYS H H 14 7.650 7.650 7.652 -0.002 19974 3391 1 5 . 1 1 15 15 ALA N N 15 119.210 119.210 121.235 -2.025 19974 3392 1 5 . 1 1 15 15 ALA HA H 15 4.098 4.098 4.059 0.039 19974 3393 1 5 . 1 1 15 15 ALA C C 15 180.550 180.550 179.803 0.747 19974 3394 1 5 . 1 1 15 15 ALA CA C 15 54.600 54.600 55.093 -0.493 19974 3395 1 5 . 1 1 15 15 ALA CB C 15 17.790 17.790 18.343 -0.553 19974 3396 1 5 . 1 1 15 15 ALA H H 15 7.362 7.362 7.647 -0.285 19974 3397 1 5 . 1 1 16 16 ILE N N 16 119.990 119.990 119.141 0.849 19974 3398 1 5 . 1 1 16 16 ILE HA H 16 3.493 3.493 3.583 -0.090 19974 3399 1 5 . 1 1 16 16 ILE C C 16 176.510 176.510 178.250 -1.740 19974 3400 1 5 . 1 1 16 16 ILE CA C 16 65.072 65.072 65.487 -0.415 19974 3401 1 5 . 1 1 16 16 ILE CB C 16 37.580 37.580 38.010 -0.430 19974 3402 1 5 . 1 1 16 16 ILE H H 16 7.592 7.592 7.373 0.219 19974 3403 1 5 . 1 1 17 17 VAL N N 17 121.520 121.520 121.230 0.290 19974 3404 1 5 . 1 1 17 17 VAL HA H 17 3.504 3.504 3.527 -0.023 19974 3405 1 5 . 1 1 17 17 VAL C C 17 178.620 178.620 178.165 0.455 19974 3406 1 5 . 1 1 17 17 VAL CA C 17 67.324 67.324 67.201 0.123 19974 3407 1 5 . 1 1 17 17 VAL CB C 17 31.350 31.350 31.683 -0.333 19974 3408 1 5 . 1 1 17 17 VAL H H 17 8.155 8.155 8.316 -0.161 19974 3409 1 5 . 1 1 18 18 ASP N N 18 120.000 120.000 119.242 0.758 19974 3410 1 5 . 1 1 18 18 ASP HA H 18 4.223 4.223 4.404 -0.181 19974 3411 1 5 . 1 1 18 18 ASP C C 18 177.980 177.980 178.319 -0.339 19974 3412 1 5 . 1 1 18 18 ASP CA C 18 57.050 57.050 57.354 -0.304 19974 3413 1 5 . 1 1 18 18 ASP CB C 18 39.410 39.410 40.530 -1.120 19974 3414 1 5 . 1 1 18 18 ASP H H 18 8.605 8.605 8.280 0.325 19974 3415 1 5 . 1 1 19 19 ALA N N 19 122.620 122.620 122.101 0.519 19974 3416 1 5 . 1 1 19 19 ALA HA H 19 4.194 4.194 4.106 0.088 19974 3417 1 5 . 1 1 19 19 ALA C C 19 180.720 180.720 179.383 1.337 19974 3418 1 5 . 1 1 19 19 ALA CA C 19 54.970 54.970 54.721 0.249 19974 3419 1 5 . 1 1 19 19 ALA CB C 19 17.850 17.850 18.556 -0.706 19974 3420 1 5 . 1 1 19 19 ALA H H 19 7.702 7.702 7.530 0.172 19974 3421 1 5 . 1 1 20 20 ILE N N 20 122.620 122.620 119.531 3.089 19974 3422 1 5 . 1 1 20 20 ILE HA H 20 3.309 3.309 3.608 -0.299 19974 3423 1 5 . 1 1 20 20 ILE C C 20 176.740 176.740 178.393 -1.653 19974 3424 1 5 . 1 1 20 20 ILE CA C 20 66.830 66.830 65.370 1.460 19974 3425 1 5 . 1 1 20 20 ILE CB C 20 38.140 38.140 37.827 0.313 19974 3426 1 5 . 1 1 20 20 ILE H H 20 8.234 8.234 7.655 0.579 19974 3427 1 5 . 1 1 21 21 ARG N N 21 119.660 119.660 118.275 1.385 19974 3428 1 5 . 1 1 21 21 ARG HA H 21 3.899 3.899 4.035 -0.136 19974 3429 1 5 . 1 1 21 21 ARG C C 21 179.540 179.540 177.126 2.414 19974 3430 1 5 . 1 1 21 21 ARG CA C 21 58.990 58.990 58.970 0.020 19974 3431 1 5 . 1 1 21 21 ARG CB C 21 29.020 29.020 30.027 -1.007 19974 3432 1 5 . 1 1 21 21 ARG H H 21 8.212 8.212 7.789 0.423 19974 3433 1 5 . 1 1 22 22 ASP N N 22 118.640 118.640 116.594 2.046 19974 3434 1 5 . 1 1 22 22 ASP HA H 22 4.239 4.239 4.592 -0.353 19974 3435 1 5 . 1 1 22 22 ASP C C 22 179.190 179.190 176.680 2.510 19974 3436 1 5 . 1 1 22 22 ASP CA C 22 57.270 57.270 55.355 1.915 19974 3437 1 5 . 1 1 22 22 ASP CB C 22 39.770 39.770 40.907 -1.137 19974 3438 1 5 . 1 1 22 22 ASP H H 22 8.137 8.137 7.441 0.696 19974 3439 1 5 . 1 1 23 23 ALA N N 23 126.120 126.120 123.129 2.991 19974 3440 1 5 . 1 1 23 23 ALA HA H 23 4.207 4.207 4.060 0.147 19974 3441 1 5 . 1 1 23 23 ALA C C 23 181.060 181.060 179.469 1.591 19974 3442 1 5 . 1 1 23 23 ALA CA C 23 55.430 55.430 54.950 0.480 19974 3443 1 5 . 1 1 23 23 ALA CB C 23 18.690 18.690 19.055 -0.365 19974 3444 1 5 . 1 1 23 23 ALA H H 23 8.500 8.500 7.832 0.668 19974 3445 1 5 . 1 1 24 24 GLU N N 24 115.460 115.460 117.583 -2.123 19974 3446 1 5 . 1 1 24 24 GLU HA H 24 4.213 4.213 4.295 -0.082 19974 3447 1 5 . 1 1 24 24 GLU C C 24 176.390 176.390 177.631 -1.241 19974 3448 1 5 . 1 1 24 24 GLU CA C 24 58.180 58.180 58.813 -0.633 19974 3449 1 5 . 1 1 24 24 GLU CB C 24 28.200 28.200 29.497 -1.298 19974 3450 1 5 . 1 1 24 24 GLU H H 24 8.451 8.451 7.836 0.615 19974 3451 1 5 . 1 1 25 25 LYS N N 25 115.790 115.790 116.057 -0.267 19974 3452 1 5 . 1 1 25 25 LYS HA H 25 3.739 3.739 3.999 -0.260 19974 3453 1 5 . 1 1 25 25 LYS C C 25 176.020 176.020 176.127 -0.107 19974 3454 1 5 . 1 1 25 25 LYS CA C 25 56.220 56.220 57.300 -1.080 19974 3455 1 5 . 1 1 25 25 LYS CB C 25 32.070 32.070 31.816 0.254 19974 3456 1 5 . 1 1 25 25 LYS H H 25 7.083 7.083 7.421 -0.338 19974 3457 1 5 . 1 1 26 26 ASN N N 26 115.060 115.060 115.737 -0.677 19974 3458 1 5 . 1 1 26 26 ASN HA H 26 4.749 4.749 4.774 -0.025 19974 3459 1 5 . 1 1 26 26 ASN C C 26 174.280 174.280 174.014 0.266 19974 3460 1 5 . 1 1 26 26 ASN CA C 26 53.050 53.050 53.514 -0.464 19974 3461 1 5 . 1 1 26 26 ASN CB C 26 40.410 40.410 41.689 -1.279 19974 3462 1 5 . 1 1 26 26 ASN H H 26 7.931 7.931 7.874 0.057 19974 3463 1 5 . 1 1 27 27 THR N N 27 113.430 113.430 113.031 0.399 19974 3464 1 5 . 1 1 27 27 THR HA H 27 5.507 5.507 4.861 0.646 19974 3465 1 5 . 1 1 27 27 THR C C 27 170.850 170.850 173.316 -2.466 19974 3466 1 5 . 1 1 27 27 THR CA C 27 57.130 57.130 60.732 -3.602 19974 3467 1 5 . 1 1 27 27 THR CB C 27 70.200 70.200 70.092 0.108 19974 3468 1 5 . 1 1 27 27 THR H H 27 7.619 7.619 7.637 -0.018 19974 3469 1 5 . 1 1 28 28 SER N N 28 119.450 119.450 120.556 -1.106 19974 3470 1 5 . 1 1 28 28 SER HA H 28 4.773 4.773 4.784 -0.011 19974 3471 1 5 . 1 1 28 28 SER C C 28 176.330 176.330 174.354 1.976 19974 3472 1 5 . 1 1 28 28 SER CA C 28 58.913 58.913 59.161 -0.248 19974 3473 1 5 . 1 1 28 28 SER CB C 28 64.360 64.360 63.688 0.672 19974 3474 1 5 . 1 1 28 28 SER H H 28 7.706 7.706 8.735 -1.029 19974 3475 1 5 . 1 1 29 29 GLY N N 29 111.350 111.350 108.184 3.166 19974 3476 1 5 . 1 1 29 29 GLY C C 29 171.210 171.210 172.933 -1.723 19974 3477 1 5 . 1 1 29 29 GLY CA C 29 44.643 44.643 43.708 0.935 19974 3478 1 5 . 1 1 29 29 GLY H H 29 9.011 9.011 7.555 1.456 19974 3479 1 5 . 1 1 30 30 GLU N N 30 120.620 120.620 120.635 -0.015 19974 3480 1 5 . 1 1 30 30 GLU HA H 30 4.867 4.867 4.744 0.123 19974 3481 1 5 . 1 1 30 30 GLU C C 30 174.500 174.500 175.257 -0.757 19974 3482 1 5 . 1 1 30 30 GLU CA C 30 54.320 54.320 54.419 -0.099 19974 3483 1 5 . 1 1 30 30 GLU CB C 30 34.030 34.030 32.118 1.912 19974 3484 1 5 . 1 1 30 30 GLU H H 30 6.897 6.897 8.539 -1.642 19974 3485 1 5 . 1 1 31 31 ILE N N 31 121.650 121.650 125.051 -3.401 19974 3486 1 5 . 1 1 31 31 ILE HA H 31 5.171 5.171 4.372 0.799 19974 3487 1 5 . 1 1 31 31 ILE C C 31 175.550 175.550 174.471 1.079 19974 3488 1 5 . 1 1 31 31 ILE CA C 31 59.740 59.740 60.723 -0.983 19974 3489 1 5 . 1 1 31 31 ILE CB C 31 42.520 42.520 39.593 2.927 19974 3490 1 5 . 1 1 31 31 ILE H H 31 8.546 8.546 8.321 0.225 19974 3491 1 5 . 1 1 32 32 ARG N N 32 121.690 121.690 124.144 -2.454 19974 3492 1 5 . 1 1 32 32 ARG HA H 32 4.951 4.951 4.810 0.141 19974 3493 1 5 . 1 1 32 32 ARG C C 32 173.740 173.740 174.388 -0.648 19974 3494 1 5 . 1 1 32 32 ARG CA C 32 55.220 55.220 54.750 0.470 19974 3495 1 5 . 1 1 32 32 ARG CB C 32 34.720 34.720 35.404 -0.684 19974 3496 1 5 . 1 1 32 32 ARG H H 32 8.751 8.751 8.626 0.125 19974 3497 1 5 . 1 1 33 33 VAL N N 33 120.770 120.770 119.457 1.313 19974 3498 1 5 . 1 1 33 33 VAL HA H 33 4.972 4.972 4.629 0.343 19974 3499 1 5 . 1 1 33 33 VAL C C 33 173.790 173.790 173.623 0.167 19974 3500 1 5 . 1 1 33 33 VAL CA C 33 59.700 59.700 61.377 -1.677 19974 3501 1 5 . 1 1 33 33 VAL CB C 33 34.820 34.820 35.316 -0.496 19974 3502 1 5 . 1 1 33 33 VAL H H 33 8.617 8.617 8.960 -0.343 19974 3503 1 5 . 1 1 34 34 HIS N N 34 125.000 125.000 126.652 -1.652 19974 3504 1 5 . 1 1 34 34 HIS HA H 34 5.743 5.743 5.277 0.466 19974 3505 1 5 . 1 1 34 34 HIS C C 34 172.790 172.790 173.185 -0.395 19974 3506 1 5 . 1 1 34 34 HIS CA C 34 54.370 54.370 53.990 0.380 19974 3507 1 5 . 1 1 34 34 HIS CB C 34 36.840 36.840 32.549 4.291 19974 3508 1 5 . 1 1 34 34 HIS H H 34 8.552 8.552 9.193 -0.641 19974 3509 1 5 . 1 1 35 35 LEU N N 35 124.400 124.400 128.470 -4.070 19974 3510 1 5 . 1 1 35 35 LEU HA H 35 4.800 4.800 4.639 0.161 19974 3511 1 5 . 1 1 35 35 LEU C C 35 174.490 174.490 174.251 0.239 19974 3512 1 5 . 1 1 35 35 LEU CA C 35 52.190 52.190 54.066 -1.876 19974 3513 1 5 . 1 1 35 35 LEU CB C 35 44.880 44.880 44.832 0.048 19974 3514 1 5 . 1 1 35 35 LEU H H 35 8.006 8.006 8.218 -0.212 19974 3515 1 5 . 1 1 36 36 GLU N N 36 116.112 116.112 124.782 -8.670 19974 3516 1 5 . 1 1 36 36 GLU HA H 36 4.573 4.573 4.572 0.001 19974 3517 1 5 . 1 1 36 36 GLU C C 36 174.350 174.350 175.202 -0.852 19974 3518 1 5 . 1 1 36 36 GLU CA C 36 54.130 54.130 55.224 -1.094 19974 3519 1 5 . 1 1 36 36 GLU CB C 36 31.960 31.960 33.382 -1.422 19974 3520 1 5 . 1 1 36 36 GLU H H 36 8.235 8.235 8.559 -0.324 19974 3521 1 5 . 1 1 37 37 LYS N N 37 121.210 121.210 119.772 1.438 19974 3522 1 5 . 1 1 37 37 LYS HA H 37 3.731 3.731 4.062 -0.331 19974 3523 1 5 . 1 1 37 37 LYS C C 37 175.200 175.200 176.115 -0.915 19974 3524 1 5 . 1 1 37 37 LYS CA C 37 61.410 61.410 59.078 2.332 19974 3525 1 5 . 1 1 37 37 LYS CB C 37 33.090 33.090 33.217 -0.127 19974 3526 1 5 . 1 1 37 37 LYS H H 37 9.055 9.055 8.507 0.548 19974 3527 1 5 . 1 1 38 38 THR N N 38 107.310 107.310 112.489 -5.179 19974 3528 1 5 . 1 1 38 38 THR HA H 38 4.448 4.448 4.613 -0.165 19974 3529 1 5 . 1 1 38 38 THR C C 38 171.420 171.420 173.281 -1.861 19974 3530 1 5 . 1 1 38 38 THR CA C 38 59.530 59.530 60.875 -1.345 19974 3531 1 5 . 1 1 38 38 THR CB C 38 69.570 69.570 71.946 -2.376 19974 3532 1 5 . 1 1 38 38 THR H H 38 7.480 7.480 7.743 -0.263 19974 3533 1 5 . 1 1 39 39 SER N N 39 116.050 116.050 120.725 -4.675 19974 3534 1 5 . 1 1 39 39 SER HA H 39 4.641 4.641 4.657 -0.016 19974 3535 1 5 . 1 1 39 39 SER C C 39 175.590 175.590 174.952 0.638 19974 3536 1 5 . 1 1 39 39 SER CA C 39 57.340 57.340 58.171 -0.831 19974 3537 1 5 . 1 1 39 39 SER CB C 39 64.560 64.560 63.968 0.592 19974 3538 1 5 . 1 1 39 39 SER H H 39 8.177 8.177 8.740 -0.563 19974 3539 1 5 . 1 1 40 40 GLU N N 40 124.630 124.630 124.472 0.158 19974 3540 1 5 . 1 1 40 40 GLU HA H 40 4.118 4.118 4.237 -0.119 19974 3541 1 5 . 1 1 40 40 GLU C C 40 176.520 176.520 176.068 0.452 19974 3542 1 5 . 1 1 40 40 GLU CA C 40 58.100 58.100 58.219 -0.119 19974 3543 1 5 . 1 1 40 40 GLU CB C 40 29.950 29.950 30.201 -0.251 19974 3544 1 5 . 1 1 40 40 GLU H H 40 8.905 8.905 8.943 -0.038 19974 3545 1 5 . 1 1 41 41 ILE N N 41 113.290 113.290 114.213 -0.923 19974 3546 1 5 . 1 1 41 41 ILE HA H 41 4.460 4.460 4.290 0.170 19974 3547 1 5 . 1 1 41 41 ILE C C 41 175.350 175.350 174.823 0.527 19974 3548 1 5 . 1 1 41 41 ILE CA C 41 59.490 59.490 58.865 0.625 19974 3549 1 5 . 1 1 41 41 ILE CB C 41 40.150 40.150 40.358 -0.208 19974 3550 1 5 . 1 1 41 41 ILE H H 41 7.446 7.446 7.472 -0.026 19974 3551 1 5 . 1 1 42 42 ASP N N 42 122.230 122.230 121.732 0.498 19974 3552 1 5 . 1 1 42 42 ASP HA H 42 4.280 4.280 4.710 -0.430 19974 3553 1 5 . 1 1 42 42 ASP C C 42 177.430 177.430 177.460 -0.030 19974 3554 1 5 . 1 1 42 42 ASP CA C 42 55.360 55.360 54.300 1.060 19974 3555 1 5 . 1 1 42 42 ASP CB C 42 42.690 42.690 41.463 1.227 19974 3556 1 5 . 1 1 42 42 ASP H H 42 8.271 8.271 8.415 -0.144 19974 3557 1 5 . 1 1 43 43 VAL N N 43 122.150 122.150 124.593 -2.443 19974 3558 1 5 . 1 1 43 43 VAL HA H 43 3.569 3.569 3.581 -0.012 19974 3559 1 5 . 1 1 43 43 VAL C C 43 175.780 175.780 177.995 -2.215 19974 3560 1 5 . 1 1 43 43 VAL CA C 43 65.420 65.420 65.810 -0.390 19974 3561 1 5 . 1 1 43 43 VAL CB C 43 31.300 31.300 32.205 -0.905 19974 3562 1 5 . 1 1 43 43 VAL H H 43 8.160 8.160 8.611 -0.451 19974 3563 1 5 . 1 1 44 44 PHE N N 44 121.770 121.770 120.910 0.860 19974 3564 1 5 . 1 1 44 44 PHE HA H 44 3.892 3.892 4.189 -0.297 19974 3565 1 5 . 1 1 44 44 PHE C C 44 177.140 177.140 176.414 0.726 19974 3566 1 5 . 1 1 44 44 PHE CA C 44 62.190 62.190 61.534 0.656 19974 3567 1 5 . 1 1 44 44 PHE CB C 44 38.350 38.350 38.152 0.198 19974 3568 1 5 . 1 1 44 44 PHE H H 44 8.101 8.101 8.331 -0.230 19974 3569 1 5 . 1 1 45 45 ASP N N 45 119.540 119.540 119.103 0.437 19974 3570 1 5 . 1 1 45 45 ASP HA H 45 4.106 4.106 4.199 -0.093 19974 3571 1 5 . 1 1 45 45 ASP C C 45 178.380 178.380 178.896 -0.516 19974 3572 1 5 . 1 1 45 45 ASP CA C 45 57.010 57.010 58.090 -1.080 19974 3573 1 5 . 1 1 45 45 ASP CB C 45 37.900 37.900 40.059 -2.159 19974 3574 1 5 . 1 1 45 45 ASP H H 45 7.317 7.317 8.444 -1.127 19974 3575 1 5 . 1 1 46 46 ARG N N 46 119.920 119.920 120.492 -0.572 19974 3576 1 5 . 1 1 46 46 ARG HA H 46 3.733 3.733 3.856 -0.123 19974 3577 1 5 . 1 1 46 46 ARG C C 46 176.750 176.750 178.017 -1.267 19974 3578 1 5 . 1 1 46 46 ARG CA C 46 57.136 57.136 59.177 -2.041 19974 3579 1 5 . 1 1 46 46 ARG CB C 46 28.590 28.590 30.180 -1.590 19974 3580 1 5 . 1 1 46 46 ARG H H 46 8.246 8.246 8.067 0.179 19974 3581 1 5 . 1 1 47 47 ALA N N 47 120.910 120.910 121.852 -0.942 19974 3582 1 5 . 1 1 47 47 ALA HA H 47 3.048 3.048 3.664 -0.616 19974 3583 1 5 . 1 1 47 47 ALA C C 47 177.810 177.810 178.867 -1.057 19974 3584 1 5 . 1 1 47 47 ALA CA C 47 55.010 55.010 54.924 0.086 19974 3585 1 5 . 1 1 47 47 ALA CB C 47 17.400 17.400 18.154 -0.754 19974 3586 1 5 . 1 1 47 47 ALA H H 47 7.803 7.803 8.010 -0.207 19974 3587 1 5 . 1 1 48 48 MET N N 48 115.800 115.800 118.344 -2.544 19974 3588 1 5 . 1 1 48 48 MET HA H 48 2.568 2.568 3.379 -0.811 19974 3589 1 5 . 1 1 48 48 MET C C 48 177.790 177.790 177.552 0.238 19974 3590 1 5 . 1 1 48 48 MET CA C 48 58.910 58.910 59.202 -0.292 19974 3591 1 5 . 1 1 48 48 MET CB C 48 32.750 32.750 32.178 0.572 19974 3592 1 5 . 1 1 48 48 MET H H 48 7.148 7.148 7.882 -0.734 19974 3593 1 5 . 1 1 49 49 ASP N N 49 121.130 121.130 119.204 1.926 19974 3594 1 5 . 1 1 49 49 ASP HA H 49 4.326 4.326 4.289 0.037 19974 3595 1 5 . 1 1 49 49 ASP C C 49 178.960 178.960 178.669 0.291 19974 3596 1 5 . 1 1 49 49 ASP CA C 49 57.330 57.330 57.309 0.021 19974 3597 1 5 . 1 1 49 49 ASP CB C 49 40.180 40.180 40.825 -0.645 19974 3598 1 5 . 1 1 49 49 ASP H H 49 7.656 7.656 7.859 -0.203 19974 3599 1 5 . 1 1 50 50 VAL N N 50 122.030 122.030 120.298 1.732 19974 3600 1 5 . 1 1 50 50 VAL HA H 50 3.150 3.150 3.517 -0.367 19974 3601 1 5 . 1 1 50 50 VAL C C 50 176.610 176.610 177.619 -1.009 19974 3602 1 5 . 1 1 50 50 VAL CA C 50 66.980 66.980 66.402 0.578 19974 3603 1 5 . 1 1 50 50 VAL CB C 50 30.450 30.450 31.555 -1.105 19974 3604 1 5 . 1 1 50 50 VAL H H 50 8.506 8.506 8.277 0.229 19974 3605 1 5 . 1 1 51 51 PHE N N 51 120.010 120.010 120.773 -0.763 19974 3606 1 5 . 1 1 51 51 PHE HA H 51 3.701 3.701 4.147 -0.446 19974 3607 1 5 . 1 1 51 51 PHE C C 51 176.990 176.990 177.063 -0.073 19974 3608 1 5 . 1 1 51 51 PHE CA C 51 61.610 61.610 61.706 -0.096 19974 3609 1 5 . 1 1 51 51 PHE CB C 51 39.350 39.350 39.362 -0.012 19974 3610 1 5 . 1 1 51 51 PHE H H 51 8.236 8.236 8.360 -0.124 19974 3611 1 5 . 1 1 52 52 HIS N N 52 114.400 114.400 116.516 -2.116 19974 3612 1 5 . 1 1 52 52 HIS HA H 52 4.322 4.322 4.420 -0.098 19974 3613 1 5 . 1 1 52 52 HIS C C 52 179.389 179.389 178.322 1.067 19974 3614 1 5 . 1 1 52 52 HIS CA C 52 59.670 59.670 59.275 0.395 19974 3615 1 5 . 1 1 52 52 HIS CB C 52 28.380 28.380 30.028 -1.648 19974 3616 1 5 . 1 1 52 52 HIS H H 52 7.595 7.595 8.247 -0.652 19974 3617 1 5 . 1 1 53 53 ASN N N 53 125.300 125.300 119.732 5.568 19974 3618 1 5 . 1 1 53 53 ASN HA H 53 4.346 4.346 4.568 -0.222 19974 3619 1 5 . 1 1 53 53 ASN C C 53 177.560 177.560 177.133 0.427 19974 3620 1 5 . 1 1 53 53 ASN CA C 53 56.260 56.260 55.626 0.634 19974 3621 1 5 . 1 1 53 53 ASN CB C 53 38.020 38.020 38.346 -0.326 19974 3622 1 5 . 1 1 53 53 ASN H H 53 9.216 9.216 8.566 0.650 19974 3623 1 5 . 1 1 54 54 LEU N N 54 117.070 117.070 117.686 -0.616 19974 3624 1 5 . 1 1 54 54 LEU HA H 54 4.114 4.114 4.249 -0.135 19974 3625 1 5 . 1 1 54 54 LEU C C 54 175.780 175.780 175.718 0.062 19974 3626 1 5 . 1 1 54 54 LEU CA C 54 54.400 54.400 55.100 -0.700 19974 3627 1 5 . 1 1 54 54 LEU CB C 54 42.810 42.810 41.991 0.819 19974 3628 1 5 . 1 1 54 54 LEU H H 54 8.270 8.270 7.834 0.436 19974 3629 1 5 . 1 1 55 55 LYS N N 55 116.580 116.580 115.016 1.564 19974 3630 1 5 . 1 1 55 55 LYS HA H 55 3.954 3.954 3.997 -0.043 19974 3631 1 5 . 1 1 55 55 LYS C C 55 177.650 177.650 177.579 0.071 19974 3632 1 5 . 1 1 55 55 LYS CA C 55 56.630 56.630 57.391 -0.761 19974 3633 1 5 . 1 1 55 55 LYS CB C 55 28.110 28.110 29.867 -1.757 19974 3634 1 5 . 1 1 55 55 LYS H H 55 7.953 7.953 7.601 0.351 19974 3635 1 5 . 1 1 56 56 MET N N 56 114.460 114.460 116.743 -2.283 19974 3636 1 5 . 1 1 56 56 MET HA H 56 3.624 3.624 3.945 -0.321 19974 3637 1 5 . 1 1 56 56 MET C C 56 174.010 174.010 176.751 -2.741 19974 3638 1 5 . 1 1 56 56 MET CA C 56 56.800 56.800 59.129 -2.329 19974 3639 1 5 . 1 1 56 56 MET CB C 56 28.620 28.620 31.580 -2.960 19974 3640 1 5 . 1 1 56 56 MET H H 56 7.496 7.496 7.555 -0.059 19974 3641 1 5 . 1 1 57 57 ASP N N 57 113.610 113.610 117.892 -4.282 19974 3642 1 5 . 1 1 57 57 ASP HA H 57 4.490 4.490 4.750 -0.260 19974 3643 1 5 . 1 1 57 57 ASP C C 57 176.060 176.060 176.808 -0.748 19974 3644 1 5 . 1 1 57 57 ASP CA C 57 53.030 53.030 54.985 -1.955 19974 3645 1 5 . 1 1 57 57 ASP CB C 57 38.940 38.940 39.987 -1.047 19974 3646 1 5 . 1 1 57 57 ASP H H 57 8.921 8.921 8.329 0.592 19974 3647 1 5 . 1 1 58 58 ASN N N 58 119.880 119.880 119.937 -0.057 19974 3648 1 5 . 1 1 58 58 ASN HA H 58 4.885 4.885 4.707 0.178 19974 3649 1 5 . 1 1 58 58 ASN C C 58 174.060 174.060 174.038 0.022 19974 3650 1 5 . 1 1 58 58 ASN CA C 58 52.190 52.190 53.152 -0.962 19974 3651 1 5 . 1 1 58 58 ASN CB C 58 37.230 37.230 37.760 -0.530 19974 3652 1 5 . 1 1 58 58 ASN H H 58 7.070 7.070 7.481 -0.411 19974 3653 1 5 . 1 1 59 59 THR N N 59 108.570 108.570 117.796 -9.226 19974 3654 1 5 . 1 1 59 59 THR HA H 59 4.449 4.449 4.527 -0.078 19974 3655 1 5 . 1 1 59 59 THR C C 59 175.810 175.810 174.783 1.027 19974 3656 1 5 . 1 1 59 59 THR CA C 59 59.600 59.600 60.596 -0.996 19974 3657 1 5 . 1 1 59 59 THR CB C 59 70.900 70.900 71.185 -0.285 19974 3658 1 5 . 1 1 59 59 THR H H 59 7.636 7.636 7.677 -0.041 19974 3659 1 5 . 1 1 60 60 LYS N N 60 126.400 126.400 127.899 -1.499 19974 3660 1 5 . 1 1 60 60 LYS HA H 60 3.923 3.923 4.045 -0.122 19974 3661 1 5 . 1 1 60 60 LYS C C 60 179.030 179.030 177.163 1.867 19974 3662 1 5 . 1 1 60 60 LYS CA C 60 59.600 59.600 59.237 0.363 19974 3663 1 5 . 1 1 60 60 LYS CB C 60 32.480 32.480 32.270 0.210 19974 3664 1 5 . 1 1 60 60 LYS H H 60 10.322 10.322 8.849 1.473 19974 3665 1 5 . 1 1 61 61 LEU N N 61 114.780 114.780 117.047 -2.267 19974 3666 1 5 . 1 1 61 61 LEU HA H 61 4.430 4.430 4.464 -0.034 19974 3667 1 5 . 1 1 61 61 LEU C C 61 175.660 175.660 175.751 -0.091 19974 3668 1 5 . 1 1 61 61 LEU CA C 61 52.830 52.830 54.113 -1.283 19974 3669 1 5 . 1 1 61 61 LEU CB C 61 40.470 40.470 41.958 -1.488 19974 3670 1 5 . 1 1 61 61 LEU H H 61 8.555 8.555 7.871 0.684 19974 3671 1 5 . 1 1 62 62 GLN N N 62 116.490 116.490 115.563 0.927 19974 3672 1 5 . 1 1 62 62 GLN HA H 62 3.715 3.715 4.028 -0.313 19974 3673 1 5 . 1 1 62 62 GLN C C 62 175.060 175.060 174.185 0.875 19974 3674 1 5 . 1 1 62 62 GLN CA C 62 56.440 56.440 56.494 -0.054 19974 3675 1 5 . 1 1 62 62 GLN CB C 62 26.480 26.480 26.604 -0.124 19974 3676 1 5 . 1 1 62 62 GLN H H 62 7.526 7.526 7.861 -0.335 19974 3677 1 5 . 1 1 63 63 ASN N N 63 114.760 114.760 114.250 0.510 19974 3678 1 5 . 1 1 63 63 ASN HA H 63 4.352 4.352 4.831 -0.479 19974 3679 1 5 . 1 1 63 63 ASN C C 63 173.790 173.790 174.865 -1.075 19974 3680 1 5 . 1 1 63 63 ASN CA C 63 50.680 50.680 51.935 -1.255 19974 3681 1 5 . 1 1 63 63 ASN CB C 63 35.110 35.110 38.959 -3.849 19974 3682 1 5 . 1 1 63 63 ASN H H 63 8.243 8.243 8.160 0.083 19974 3683 1 5 . 1 1 64 64 GLY N N 64 105.820 105.820 108.177 -2.357 19974 3684 1 5 . 1 1 64 64 GLY C C 64 172.650 172.650 172.807 -0.157 19974 3685 1 5 . 1 1 64 64 GLY CA C 64 44.136 44.136 44.293 -0.157 19974 3686 1 5 . 1 1 64 64 GLY H H 64 8.618 8.618 7.804 0.814 19974 3687 1 5 . 1 1 65 65 VAL N N 65 120.490 120.490 125.255 -4.765 19974 3688 1 5 . 1 1 65 65 VAL HA H 65 4.814 4.814 4.855 -0.041 19974 3689 1 5 . 1 1 65 65 VAL C C 65 172.610 172.610 174.496 -1.886 19974 3690 1 5 . 1 1 65 65 VAL CA C 65 60.890 60.890 61.391 -0.501 19974 3691 1 5 . 1 1 65 65 VAL CB C 65 35.570 35.570 34.507 1.063 19974 3692 1 5 . 1 1 65 65 VAL H H 65 9.053 9.053 9.193 -0.140 19974 3693 1 5 . 1 1 66 66 LEU N N 66 127.740 127.740 128.611 -0.871 19974 3694 1 5 . 1 1 66 66 LEU HA H 66 5.097 5.097 5.266 -0.169 19974 3695 1 5 . 1 1 66 66 LEU C C 66 175.120 175.120 174.961 0.159 19974 3696 1 5 . 1 1 66 66 LEU CA C 66 51.870 51.870 53.799 -1.929 19974 3697 1 5 . 1 1 66 66 LEU CB C 66 47.520 47.520 46.321 1.199 19974 3698 1 5 . 1 1 66 66 LEU H H 66 9.245 9.245 9.367 -0.122 19974 3699 1 5 . 1 1 67 67 ILE N N 67 126.030 126.030 128.187 -2.157 19974 3700 1 5 . 1 1 67 67 ILE HA H 67 4.484 4.484 4.740 -0.256 19974 3701 1 5 . 1 1 67 67 ILE C C 67 173.290 173.290 175.282 -1.992 19974 3702 1 5 . 1 1 67 67 ILE CA C 67 61.090 61.090 60.639 0.451 19974 3703 1 5 . 1 1 67 67 ILE CB C 67 37.480 37.480 37.551 -0.071 19974 3704 1 5 . 1 1 67 67 ILE H H 67 8.974 8.974 8.853 0.121 19974 3705 1 5 . 1 1 68 68 TYR N N 68 129.400 129.400 130.661 -1.261 19974 3706 1 5 . 1 1 68 68 TYR HA H 68 4.887 4.887 5.160 -0.273 19974 3707 1 5 . 1 1 68 68 TYR C C 68 174.140 174.140 174.045 0.095 19974 3708 1 5 . 1 1 68 68 TYR CA C 68 56.990 56.990 57.827 -0.837 19974 3709 1 5 . 1 1 68 68 TYR CB C 68 40.790 40.790 39.258 1.532 19974 3710 1 5 . 1 1 68 68 TYR H H 68 8.999 8.999 8.973 0.026 19974 3711 1 5 . 1 1 69 69 VAL N N 69 126.790 126.790 128.685 -1.895 19974 3712 1 5 . 1 1 69 69 VAL HA H 69 4.401 4.401 4.584 -0.183 19974 3713 1 5 . 1 1 69 69 VAL C C 69 172.350 172.350 173.506 -1.156 19974 3714 1 5 . 1 1 69 69 VAL CA C 69 60.810 60.810 60.460 0.350 19974 3715 1 5 . 1 1 69 69 VAL CB C 69 34.360 34.360 35.246 -0.886 19974 3716 1 5 . 1 1 69 69 VAL H H 69 8.378 8.378 8.752 -0.374 19974 3717 1 5 . 1 1 70 70 ALA N N 70 129.770 129.770 129.788 -0.018 19974 3718 1 5 . 1 1 70 70 ALA HA H 70 4.592 4.592 4.998 -0.406 19974 3719 1 5 . 1 1 70 70 ALA C C 70 177.620 177.620 177.905 -0.285 19974 3720 1 5 . 1 1 70 70 ALA CA C 70 49.210 49.210 49.892 -0.682 19974 3721 1 5 . 1 1 70 70 ALA CB C 70 17.470 17.470 19.086 -1.616 19974 3722 1 5 . 1 1 70 70 ALA H H 70 8.078 8.078 8.749 -0.671 19974 3723 1 5 . 1 1 71 71 VAL N N 71 120.880 120.880 120.192 0.688 19974 3724 1 5 . 1 1 71 71 VAL HA H 71 2.847 2.847 3.441 -0.594 19974 3725 1 5 . 1 1 71 71 VAL C C 71 178.310 178.310 176.632 1.678 19974 3726 1 5 . 1 1 71 71 VAL CA C 71 66.030 66.030 64.636 1.394 19974 3727 1 5 . 1 1 71 71 VAL CB C 71 32.110 32.110 31.058 1.052 19974 3728 1 5 . 1 1 71 71 VAL H H 71 8.597 8.597 8.528 0.069 19974 3729 1 5 . 1 1 72 72 GLU N N 72 119.350 119.350 120.549 -1.199 19974 3730 1 5 . 1 1 72 72 GLU HA H 72 3.955 3.955 4.249 -0.294 19974 3731 1 5 . 1 1 72 72 GLU C C 72 177.650 177.650 177.633 0.017 19974 3732 1 5 . 1 1 72 72 GLU CA C 72 59.260 59.260 58.197 1.062 19974 3733 1 5 . 1 1 72 72 GLU CB C 72 28.940 28.940 29.970 -1.030 19974 3734 1 5 . 1 1 72 72 GLU H H 72 9.107 9.107 7.937 1.170 19974 3735 1 5 . 1 1 73 73 ASP N N 73 115.250 115.250 117.777 -2.527 19974 3736 1 5 . 1 1 73 73 ASP HA H 73 4.544 4.544 4.678 -0.134 19974 3737 1 5 . 1 1 73 73 ASP C C 73 175.460 175.460 176.173 -0.713 19974 3738 1 5 . 1 1 73 73 ASP CA C 73 54.030 54.030 54.219 -0.189 19974 3739 1 5 . 1 1 73 73 ASP CB C 73 41.350 41.350 41.565 -0.214 19974 3740 1 5 . 1 1 73 73 ASP H H 73 7.039 7.039 7.542 -0.503 19974 3741 1 5 . 1 1 74 74 LYS N N 74 115.850 115.850 117.999 -2.149 19974 3742 1 5 . 1 1 74 74 LYS HA H 74 3.502 3.502 3.963 -0.461 19974 3743 1 5 . 1 1 74 74 LYS C C 74 174.920 174.920 175.751 -0.831 19974 3744 1 5 . 1 1 74 74 LYS CA C 74 57.180 57.180 57.573 -0.393 19974 3745 1 5 . 1 1 74 74 LYS CB C 74 29.100 29.100 31.233 -2.134 19974 3746 1 5 . 1 1 74 74 LYS H H 74 8.012 8.012 8.432 -0.420 19974 3747 1 5 . 1 1 75 75 THR N N 75 111.710 111.710 109.022 2.688 19974 3748 1 5 . 1 1 75 75 THR HA H 75 4.725 4.725 4.902 -0.177 19974 3749 1 5 . 1 1 75 75 THR C C 75 172.150 172.150 173.130 -0.980 19974 3750 1 5 . 1 1 75 75 THR CA C 75 60.740 60.740 60.437 0.303 19974 3751 1 5 . 1 1 75 75 THR CB C 75 70.900 70.900 71.114 -0.214 19974 3752 1 5 . 1 1 75 75 THR H H 75 7.763 7.763 7.606 0.157 19974 3753 1 5 . 1 1 76 76 PHE N N 76 117.220 117.220 117.673 -0.453 19974 3754 1 5 . 1 1 76 76 PHE HA H 76 5.968 5.968 5.711 0.257 19974 3755 1 5 . 1 1 76 76 PHE C C 76 173.250 173.250 173.532 -0.282 19974 3756 1 5 . 1 1 76 76 PHE CA C 76 54.920 54.920 55.697 -0.777 19974 3757 1 5 . 1 1 76 76 PHE CB C 76 42.780 42.780 41.853 0.927 19974 3758 1 5 . 1 1 76 76 PHE H H 76 7.992 7.992 8.244 -0.252 19974 3759 1 5 . 1 1 77 77 VAL N N 77 120.030 120.030 121.522 -1.492 19974 3760 1 5 . 1 1 77 77 VAL HA H 77 4.015 4.015 4.455 -0.440 19974 3761 1 5 . 1 1 77 77 VAL C C 77 173.310 173.310 174.394 -1.084 19974 3762 1 5 . 1 1 77 77 VAL CA C 77 60.840 60.840 61.075 -0.235 19974 3763 1 5 . 1 1 77 77 VAL CB C 77 37.410 37.410 35.966 1.444 19974 3764 1 5 . 1 1 77 77 VAL H H 77 9.447 9.447 9.251 0.196 19974 3765 1 5 . 1 1 78 78 ILE N N 78 125.240 125.240 125.948 -0.708 19974 3766 1 5 . 1 1 78 78 ILE HA H 78 4.433 4.433 4.917 -0.484 19974 3767 1 5 . 1 1 78 78 ILE C C 78 174.090 174.090 175.629 -1.539 19974 3768 1 5 . 1 1 78 78 ILE CA C 78 60.081 60.081 60.050 0.031 19974 3769 1 5 . 1 1 78 78 ILE CB C 78 38.340 38.340 39.602 -1.262 19974 3770 1 5 . 1 1 78 78 ILE H H 78 8.155 8.155 8.515 -0.360 19974 3771 1 5 . 1 1 79 79 TYR N N 79 130.130 130.130 129.761 0.369 19974 3772 1 5 . 1 1 79 79 TYR HA H 79 4.422 4.422 5.039 -0.617 19974 3773 1 5 . 1 1 79 79 TYR C C 79 172.740 172.740 174.146 -1.406 19974 3774 1 5 . 1 1 79 79 TYR CA C 79 57.390 57.390 56.605 0.785 19974 3775 1 5 . 1 1 79 79 TYR CB C 79 40.820 40.820 42.750 -1.930 19974 3776 1 5 . 1 1 79 79 TYR H H 79 9.328 9.328 9.359 -0.031 19974 3777 1 5 . 1 1 80 80 GLY N N 80 114.140 114.140 111.831 2.309 19974 3778 1 5 . 1 1 80 80 GLY C C 80 171.090 171.090 172.259 -1.169 19974 3779 1 5 . 1 1 80 80 GLY CA C 80 42.860 42.860 44.467 -1.607 19974 3780 1 5 . 1 1 80 80 GLY H H 80 7.837 7.837 7.419 0.418 19974 3781 1 5 . 1 1 81 81 ASP N N 81 115.660 115.660 120.963 -5.303 19974 3782 1 5 . 1 1 81 81 ASP HA H 81 4.248 4.248 4.479 -0.231 19974 3783 1 5 . 1 1 81 81 ASP C C 81 176.980 176.980 177.982 -1.002 19974 3784 1 5 . 1 1 81 81 ASP CA C 81 51.950 51.950 53.235 -1.285 19974 3785 1 5 . 1 1 81 81 ASP CB C 81 41.260 41.260 42.935 -1.675 19974 3786 1 5 . 1 1 81 81 ASP H H 81 7.633 7.633 8.461 -0.828 19974 3787 1 5 . 1 1 82 82 LYS N N 82 120.470 120.470 122.875 -2.405 19974 3788 1 5 . 1 1 82 82 LYS HA H 82 3.764 3.764 3.943 -0.179 19974 3789 1 5 . 1 1 82 82 LYS C C 82 176.350 176.350 178.731 -2.381 19974 3790 1 5 . 1 1 82 82 LYS CA C 82 59.290 59.290 59.610 -0.320 19974 3791 1 5 . 1 1 82 82 LYS CB C 82 33.720 33.720 32.484 1.236 19974 3792 1 5 . 1 1 82 82 LYS H H 82 9.212 9.212 8.549 0.663 19974 3793 1 5 . 1 1 83 83 GLY N N 83 105.260 105.260 105.999 -0.739 19974 3794 1 5 . 1 1 83 83 GLY C C 83 176.540 176.540 175.223 1.317 19974 3795 1 5 . 1 1 83 83 GLY CA C 83 46.260 46.260 46.582 -0.322 19974 3796 1 5 . 1 1 83 83 GLY H H 83 8.367 8.367 8.056 0.311 19974 3797 1 5 . 1 1 84 84 ILE N N 84 117.510 117.510 121.198 -3.688 19974 3798 1 5 . 1 1 84 84 ILE HA H 84 3.644 3.644 3.827 -0.183 19974 3799 1 5 . 1 1 84 84 ILE C C 84 177.010 177.010 177.218 -0.208 19974 3800 1 5 . 1 1 84 84 ILE CA C 84 63.636 63.636 64.344 -0.708 19974 3801 1 5 . 1 1 84 84 ILE CB C 84 38.820 38.820 38.211 0.610 19974 3802 1 5 . 1 1 84 84 ILE H H 84 7.040 7.040 7.477 -0.437 19974 3803 1 5 . 1 1 85 85 ASN N N 85 117.400 117.400 118.845 -1.445 19974 3804 1 5 . 1 1 85 85 ASN HA H 85 4.115 4.115 4.403 -0.288 19974 3805 1 5 . 1 1 85 85 ASN C C 85 176.600 176.600 176.677 -0.077 19974 3806 1 5 . 1 1 85 85 ASN CA C 85 55.840 55.840 56.562 -0.722 19974 3807 1 5 . 1 1 85 85 ASN CB C 85 37.720 37.720 38.524 -0.804 19974 3808 1 5 . 1 1 85 85 ASN H H 85 7.351 7.351 7.809 -0.458 19974 3809 1 5 . 1 1 86 86 ASP N N 86 115.890 115.890 118.754 -2.864 19974 3810 1 5 . 1 1 86 86 ASP HA H 86 4.391 4.391 4.608 -0.217 19974 3811 1 5 . 1 1 86 86 ASP C C 86 177.240 177.240 177.566 -0.326 19974 3812 1 5 . 1 1 86 86 ASP CA C 86 56.260 56.260 56.042 0.218 19974 3813 1 5 . 1 1 86 86 ASP CB C 86 41.200 41.200 41.232 -0.032 19974 3814 1 5 . 1 1 86 86 ASP H H 86 8.377 8.377 8.202 0.175 19974 3815 1 5 . 1 1 87 87 VAL N N 87 109.640 109.640 112.720 -3.080 19974 3816 1 5 . 1 1 87 87 VAL HA H 87 4.473 4.473 4.385 0.088 19974 3817 1 5 . 1 1 87 87 VAL C C 87 175.780 175.780 175.509 0.271 19974 3818 1 5 . 1 1 87 87 VAL CA C 87 61.320 61.320 62.677 -1.357 19974 3819 1 5 . 1 1 87 87 VAL CB C 87 34.170 34.170 33.828 0.342 19974 3820 1 5 . 1 1 87 87 VAL H H 87 7.196 7.196 7.585 -0.389 19974 3821 1 5 . 1 1 88 88 VAL N N 88 113.200 113.200 114.321 -1.121 19974 3822 1 5 . 1 1 88 88 VAL HA H 88 3.789 3.789 4.028 -0.239 19974 3823 1 5 . 1 1 88 88 VAL C C 88 175.760 175.760 174.653 1.107 19974 3824 1 5 . 1 1 88 88 VAL CA C 88 60.640 60.640 59.690 0.950 19974 3825 1 5 . 1 1 88 88 VAL CB C 88 32.970 32.970 33.439 -0.469 19974 3826 1 5 . 1 1 88 88 VAL H H 88 6.921 6.921 7.756 -0.835 19974 3827 1 5 . 1 1 89 89 SER N N 89 114.460 114.460 116.098 -1.638 19974 3828 1 5 . 1 1 89 89 SER HA H 89 4.546 4.546 4.832 -0.286 19974 3829 1 5 . 1 1 89 89 SER C C 89 175.720 175.720 175.032 0.688 19974 3830 1 5 . 1 1 89 89 SER CA C 89 57.330 57.330 56.774 0.556 19974 3831 1 5 . 1 1 89 89 SER CB C 89 64.500 64.500 66.403 -1.903 19974 3832 1 5 . 1 1 89 89 SER H H 89 7.738 7.738 8.247 -0.509 19974 3833 1 5 . 1 1 90 90 ASP N N 90 120.250 120.250 123.844 -3.594 19974 3834 1 5 . 1 1 90 90 ASP HA H 90 4.361 4.361 4.402 -0.041 19974 3835 1 5 . 1 1 90 90 ASP C C 90 176.630 176.630 178.298 -1.668 19974 3836 1 5 . 1 1 90 90 ASP CA C 90 57.050 57.050 57.287 -0.237 19974 3837 1 5 . 1 1 90 90 ASP CB C 90 40.540 40.540 40.580 -0.040 19974 3838 1 5 . 1 1 90 90 ASP H H 90 8.687 8.687 8.868 -0.181 19974 3839 1 5 . 1 1 91 91 ASP N N 91 116.800 116.800 118.686 -1.886 19974 3840 1 5 . 1 1 91 91 ASP HA H 91 4.605 4.605 4.510 0.095 19974 3841 1 5 . 1 1 91 91 ASP C C 91 177.610 177.610 177.904 -0.294 19974 3842 1 5 . 1 1 91 91 ASP CA C 91 52.890 52.890 57.264 -4.374 19974 3843 1 5 . 1 1 91 91 ASP CB C 91 40.230 40.230 40.693 -0.463 19974 3844 1 5 . 1 1 91 91 ASP H H 91 8.250 8.250 8.662 -0.412 19974 3845 1 5 . 1 1 92 92 PHE N N 92 122.130 122.130 121.128 1.002 19974 3846 1 5 . 1 1 92 92 PHE HA H 92 3.857 3.857 4.401 -0.544 19974 3847 1 5 . 1 1 92 92 PHE C C 92 177.040 177.040 176.429 0.611 19974 3848 1 5 . 1 1 92 92 PHE CA C 92 61.910 61.910 60.828 1.082 19974 3849 1 5 . 1 1 92 92 PHE CB C 92 40.696 40.696 39.822 0.874 19974 3850 1 5 . 1 1 92 92 PHE H H 92 7.564 7.564 8.079 -0.515 19974 3851 1 5 . 1 1 93 93 TRP N N 93 113.980 113.980 119.596 -5.616 19974 3852 1 5 . 1 1 93 93 TRP HA H 93 4.726 4.726 4.511 0.215 19974 3853 1 5 . 1 1 93 93 TRP C C 93 176.420 176.420 178.250 -1.830 19974 3854 1 5 . 1 1 93 93 TRP CA C 93 56.020 56.020 59.857 -3.837 19974 3855 1 5 . 1 1 93 93 TRP CB C 93 29.990 29.990 29.152 0.838 19974 3856 1 5 . 1 1 93 93 TRP H H 93 8.532 8.532 7.964 0.568 19974 3857 1 5 . 1 1 94 94 ASP N N 94 122.120 122.120 119.494 2.626 19974 3858 1 5 . 1 1 94 94 ASP HA H 94 4.228 4.228 4.438 -0.210 19974 3859 1 5 . 1 1 94 94 ASP C C 94 178.550 178.550 178.726 -0.176 19974 3860 1 5 . 1 1 94 94 ASP CA C 94 59.120 59.120 58.164 0.956 19974 3861 1 5 . 1 1 94 94 ASP CB C 94 39.140 39.140 40.431 -1.291 19974 3862 1 5 . 1 1 94 94 ASP H H 94 7.904 7.904 8.813 -0.909 19974 3863 1 5 . 1 1 95 95 THR N N 95 111.200 111.200 115.499 -4.299 19974 3864 1 5 . 1 1 95 95 THR HA H 95 4.004 4.004 4.040 -0.036 19974 3865 1 5 . 1 1 95 95 THR C C 95 177.630 177.630 176.498 1.132 19974 3866 1 5 . 1 1 95 95 THR CA C 95 65.560 65.560 66.890 -1.330 19974 3867 1 5 . 1 1 95 95 THR CB C 95 68.230 68.230 68.612 -0.382 19974 3868 1 5 . 1 1 95 95 THR H H 95 8.559 8.559 7.599 0.960 19974 3869 1 5 . 1 1 96 96 THR N N 96 123.230 123.230 118.784 4.446 19974 3870 1 5 . 1 1 96 96 THR HA H 96 3.725 3.725 3.893 -0.168 19974 3871 1 5 . 1 1 96 96 THR C C 96 175.410 175.410 176.689 -1.279 19974 3872 1 5 . 1 1 96 96 THR CA C 96 68.286 68.286 66.862 1.424 19974 3873 1 5 . 1 1 96 96 THR CB C 96 68.200 68.200 68.463 -0.263 19974 3874 1 5 . 1 1 96 96 THR H H 96 7.991 7.991 7.595 0.397 19974 3875 1 5 . 1 1 97 97 ARG N N 97 119.960 119.960 121.031 -1.071 19974 3876 1 5 . 1 1 97 97 ARG HA H 97 3.829 3.829 4.084 -0.255 19974 3877 1 5 . 1 1 97 97 ARG C C 97 178.320 178.320 178.756 -0.436 19974 3878 1 5 . 1 1 97 97 ARG CA C 97 60.390 60.390 60.063 0.327 19974 3879 1 5 . 1 1 97 97 ARG CB C 97 29.870 29.870 30.205 -0.335 19974 3880 1 5 . 1 1 97 97 ARG H H 97 8.825 8.825 8.225 0.600 19974 3881 1 5 . 1 1 98 98 ASN N N 98 115.680 115.680 118.560 -2.880 19974 3882 1 5 . 1 1 98 98 ASN HA H 98 4.390 4.390 4.511 -0.121 19974 3883 1 5 . 1 1 98 98 ASN C C 98 176.620 176.620 177.422 -0.802 19974 3884 1 5 . 1 1 98 98 ASN CA C 98 56.050 56.050 56.435 -0.385 19974 3885 1 5 . 1 1 98 98 ASN CB C 98 38.220 38.220 38.330 -0.110 19974 3886 1 5 . 1 1 98 98 ASN H H 98 8.508 8.508 8.395 0.113 19974 3887 1 5 . 1 1 99 99 ALA N N 99 120.830 120.830 123.251 -2.421 19974 3888 1 5 . 1 1 99 99 ALA HA H 99 4.020 4.020 4.011 0.009 19974 3889 1 5 . 1 1 99 99 ALA C C 99 179.800 179.800 179.892 -0.092 19974 3890 1 5 . 1 1 99 99 ALA CA C 99 54.770 54.770 55.048 -0.278 19974 3891 1 5 . 1 1 99 99 ALA CB C 99 18.110 18.110 18.550 -0.440 19974 3892 1 5 . 1 1 99 99 ALA H H 99 7.447 7.447 8.016 -0.569 19974 3893 1 5 . 1 1 100 100 ILE N N 100 116.240 116.240 119.146 -2.906 19974 3894 1 5 . 1 1 100 100 ILE HA H 100 3.203 3.203 3.441 -0.238 19974 3895 1 5 . 1 1 100 100 ILE C C 100 178.050 178.050 177.503 0.547 19974 3896 1 5 . 1 1 100 100 ILE CA C 100 64.550 64.550 65.194 -0.643 19974 3897 1 5 . 1 1 100 100 ILE CB C 100 37.640 37.640 37.376 0.264 19974 3898 1 5 . 1 1 100 100 ILE H H 100 7.339 7.339 7.666 -0.327 19974 3899 1 5 . 1 1 101 101 GLN N N 101 118.750 118.750 119.827 -1.077 19974 3900 1 5 . 1 1 101 101 GLN HA H 101 3.917 3.917 3.782 0.135 19974 3901 1 5 . 1 1 101 101 GLN C C 101 177.870 177.870 178.564 -0.694 19974 3902 1 5 . 1 1 101 101 GLN CA C 101 59.200 59.200 59.361 -0.161 19974 3903 1 5 . 1 1 101 101 GLN CB C 101 28.860 28.860 28.971 -0.111 19974 3904 1 5 . 1 1 101 101 GLN H H 101 8.359 8.359 8.111 0.248 19974 3905 1 5 . 1 1 102 102 LEU N N 102 117.790 117.790 118.860 -1.070 19974 3906 1 5 . 1 1 102 102 LEU HA H 102 3.951 3.951 4.117 -0.166 19974 3907 1 5 . 1 1 102 102 LEU C C 102 179.550 179.550 179.474 0.076 19974 3908 1 5 . 1 1 102 102 LEU CA C 102 58.190 58.190 58.395 -0.205 19974 3909 1 5 . 1 1 102 102 LEU CB C 102 42.320 42.320 41.432 0.888 19974 3910 1 5 . 1 1 102 102 LEU H H 102 8.119 8.119 8.546 -0.427 19974 3911 1 5 . 1 1 103 103 GLN N N 103 113.650 113.650 117.769 -4.119 19974 3912 1 5 . 1 1 103 103 GLN HA H 103 4.426 4.426 4.132 0.294 19974 3913 1 5 . 1 1 103 103 GLN C C 103 179.680 179.680 178.930 0.750 19974 3914 1 5 . 1 1 103 103 GLN CA C 103 56.550 56.550 58.294 -1.744 19974 3915 1 5 . 1 1 103 103 GLN CB C 103 27.480 27.480 28.600 -1.120 19974 3916 1 5 . 1 1 103 103 GLN H H 103 6.636 6.636 7.700 -1.064 19974 3917 1 5 . 1 1 104 104 PHE N N 104 123.740 123.740 121.177 2.563 19974 3918 1 5 . 1 1 104 104 PHE HA H 104 3.895 3.895 4.309 -0.414 19974 3919 1 5 . 1 1 104 104 PHE C C 104 180.130 180.130 177.831 2.299 19974 3920 1 5 . 1 1 104 104 PHE CA C 104 59.760 59.760 61.568 -1.808 19974 3921 1 5 . 1 1 104 104 PHE CB C 104 36.620 36.620 38.838 -2.218 19974 3922 1 5 . 1 1 104 104 PHE H H 104 9.161 9.161 8.791 0.370 19974 3923 1 5 . 1 1 105 105 LYS N N 105 119.280 119.280 116.703 2.577 19974 3924 1 5 . 1 1 105 105 LYS HA H 105 4.126 4.126 4.122 0.004 19974 3925 1 5 . 1 1 105 105 LYS C C 105 177.290 177.290 178.323 -1.033 19974 3926 1 5 . 1 1 105 105 LYS CA C 105 58.913 58.913 58.586 0.327 19974 3927 1 5 . 1 1 105 105 LYS CB C 105 31.920 31.920 32.111 -0.192 19974 3928 1 5 . 1 1 105 105 LYS H H 105 8.519 8.519 8.307 0.212 19974 3929 1 5 . 1 1 106 106 GLN N N 106 114.530 114.530 116.271 -1.741 19974 3930 1 5 . 1 1 106 106 GLN HA H 106 4.415 4.415 4.264 0.151 19974 3931 1 5 . 1 1 106 106 GLN C C 106 175.450 175.450 176.929 -1.479 19974 3932 1 5 . 1 1 106 106 GLN CA C 106 54.850 54.850 56.373 -1.524 19974 3933 1 5 . 1 1 106 106 GLN CB C 106 30.010 30.010 29.970 0.040 19974 3934 1 5 . 1 1 106 106 GLN H H 106 6.934 6.934 7.496 -0.562 19974 3935 1 5 . 1 1 107 107 GLY N N 107 106.800 106.800 106.444 0.356 19974 3936 1 5 . 1 1 107 107 GLY C C 107 173.140 173.140 173.960 -0.820 19974 3937 1 5 . 1 1 107 107 GLY CA C 107 44.930 44.930 44.390 0.540 19974 3938 1 5 . 1 1 107 107 GLY H H 107 7.722 7.722 8.065 -0.343 19974 3939 1 5 . 1 1 108 108 ASN N N 108 120.230 120.230 120.818 -0.588 19974 3940 1 5 . 1 1 108 108 ASN HA H 108 4.827 4.827 4.695 0.132 19974 3941 1 5 . 1 1 108 108 ASN C C 108 174.820 174.820 174.762 0.058 19974 3942 1 5 . 1 1 108 108 ASN CA C 108 50.520 50.520 50.520 0.000 19974 3943 1 5 . 1 1 108 108 ASN CB C 108 37.090 37.090 37.081 0.009 19974 3944 1 5 . 1 1 108 108 ASN H H 108 7.654 7.654 8.133 -0.479 19974 3945 1 5 . 1 1 109 109 PHE N N 109 122.130 122.130 120.686 1.444 19974 3946 1 5 . 1 1 109 109 PHE HA H 109 4.038 4.038 3.654 0.384 19974 3947 1 5 . 1 1 109 109 PHE C C 109 177.270 177.270 177.628 -0.358 19974 3948 1 5 . 1 1 109 109 PHE CA C 109 60.670 60.670 61.262 -0.592 19974 3949 1 5 . 1 1 109 109 PHE CB C 109 38.220 38.220 37.939 0.281 19974 3950 1 5 . 1 1 109 109 PHE H H 109 7.231 7.231 6.536 0.695 19974 3951 1 5 . 1 1 110 110 LYS N N 110 118.670 118.670 119.495 -0.825 19974 3952 1 5 . 1 1 110 110 LYS HA H 110 3.610 3.610 3.841 -0.231 19974 3953 1 5 . 1 1 110 110 LYS C C 110 177.680 177.680 178.572 -0.892 19974 3954 1 5 . 1 1 110 110 LYS CA C 110 60.050 60.050 60.108 -0.058 19974 3955 1 5 . 1 1 110 110 LYS CB C 110 29.680 29.680 31.923 -2.243 19974 3956 1 5 . 1 1 110 110 LYS H H 110 8.727 8.727 8.527 0.200 19974 3957 1 5 . 1 1 111 111 GLN N N 111 117.980 117.980 117.850 0.130 19974 3958 1 5 . 1 1 111 111 GLN HA H 111 3.491 3.491 4.120 -0.629 19974 3959 1 5 . 1 1 111 111 GLN C C 111 177.640 177.640 178.619 -0.979 19974 3960 1 5 . 1 1 111 111 GLN CA C 111 57.530 57.530 58.625 -1.095 19974 3961 1 5 . 1 1 111 111 GLN CB C 111 28.460 28.460 28.595 -0.135 19974 3962 1 5 . 1 1 111 111 GLN H H 111 8.442 8.442 7.844 0.598 19974 3963 1 5 . 1 1 112 112 GLY N N 112 103.740 103.740 108.776 -5.036 19974 3964 1 5 . 1 1 112 112 GLY C C 112 173.970 173.970 176.073 -2.103 19974 3965 1 5 . 1 1 112 112 GLY CA C 112 48.730 48.730 47.101 1.629 19974 3966 1 5 . 1 1 112 112 GLY H H 112 8.196 8.196 8.120 0.076 19974 3967 1 5 . 1 1 113 113 LEU N N 113 119.640 119.640 123.174 -3.534 19974 3968 1 5 . 1 1 113 113 LEU HA H 113 3.868 3.868 3.947 -0.079 19974 3969 1 5 . 1 1 113 113 LEU C C 113 177.480 177.480 179.067 -1.587 19974 3970 1 5 . 1 1 113 113 LEU CA C 113 58.150 58.150 58.148 0.003 19974 3971 1 5 . 1 1 113 113 LEU CB C 113 41.920 41.920 41.981 -0.061 19974 3972 1 5 . 1 1 113 113 LEU H H 113 7.614 7.614 7.979 -0.365 19974 3973 1 5 . 1 1 114 114 VAL N N 114 118.510 118.510 120.392 -1.882 19974 3974 1 5 . 1 1 114 114 VAL HA H 114 3.269 3.269 3.504 -0.235 19974 3975 1 5 . 1 1 114 114 VAL C C 114 177.330 177.330 178.206 -0.876 19974 3976 1 5 . 1 1 114 114 VAL CA C 114 67.787 67.787 67.182 0.605 19974 3977 1 5 . 1 1 114 114 VAL CB C 114 31.600 31.600 31.513 0.087 19974 3978 1 5 . 1 1 114 114 VAL H H 114 8.284 8.284 8.523 -0.239 19974 3979 1 5 . 1 1 115 115 ASP N N 115 119.440 119.440 119.558 -0.118 19974 3980 1 5 . 1 1 115 115 ASP HA H 115 4.261 4.261 4.441 -0.180 19974 3981 1 5 . 1 1 115 115 ASP C C 115 179.840 179.840 178.842 0.998 19974 3982 1 5 . 1 1 115 115 ASP CA C 115 56.950 56.950 57.119 -0.169 19974 3983 1 5 . 1 1 115 115 ASP CB C 115 39.840 39.840 40.175 -0.335 19974 3984 1 5 . 1 1 115 115 ASP H H 115 8.724 8.724 8.579 0.145 19974 3985 1 5 . 1 1 116 116 GLY N N 116 107.280 107.280 108.406 -1.126 19974 3986 1 5 . 1 1 116 116 GLY C C 116 174.130 174.130 176.279 -2.149 19974 3987 1 5 . 1 1 116 116 GLY CA C 116 47.190 47.190 46.964 0.226 19974 3988 1 5 . 1 1 116 116 GLY H H 116 8.370 8.370 8.073 0.297 19974 3989 1 5 . 1 1 117 117 ILE N N 117 123.350 123.350 122.308 1.042 19974 3990 1 5 . 1 1 117 117 ILE HA H 117 3.307 3.307 3.649 -0.342 19974 3991 1 5 . 1 1 117 117 ILE C C 117 176.750 176.750 177.355 -0.605 19974 3992 1 5 . 1 1 117 117 ILE CA C 117 66.168 66.168 65.267 0.901 19974 3993 1 5 . 1 1 117 117 ILE CB C 117 37.760 37.760 37.945 -0.185 19974 3994 1 5 . 1 1 117 117 ILE H H 117 8.573 8.573 8.624 -0.051 19974 3995 1 5 . 1 1 118 118 GLU N N 118 119.220 119.220 121.452 -2.232 19974 3996 1 5 . 1 1 118 118 GLU HA H 118 4.003 4.003 3.854 0.149 19974 3997 1 5 . 1 1 118 118 GLU C C 118 180.600 180.600 178.596 2.004 19974 3998 1 5 . 1 1 118 118 GLU CA C 118 59.472 59.472 60.143 -0.671 19974 3999 1 5 . 1 1 118 118 GLU CB C 118 29.310 29.310 29.502 -0.192 19974 4000 1 5 . 1 1 118 118 GLU H H 118 7.998 7.998 8.187 -0.189 19974 4001 1 5 . 1 1 119 119 LYS N N 119 118.270 118.270 118.873 -0.603 19974 4002 1 5 . 1 1 119 119 LYS HA H 119 3.897 3.897 4.010 -0.113 19974 4003 1 5 . 1 1 119 119 LYS C C 119 179.040 179.040 179.091 -0.051 19974 4004 1 5 . 1 1 119 119 LYS CA C 119 58.090 58.090 59.318 -1.228 19974 4005 1 5 . 1 1 119 119 LYS CB C 119 31.340 31.340 32.322 -0.981 19974 4006 1 5 . 1 1 119 119 LYS H H 119 7.846 7.846 8.046 -0.201 19974 4007 1 5 . 1 1 120 120 ALA N N 120 125.280 125.280 122.371 2.909 19974 4008 1 5 . 1 1 120 120 ALA HA H 120 4.195 4.195 3.918 0.277 19974 4009 1 5 . 1 1 120 120 ALA C C 120 180.230 180.230 179.490 0.740 19974 4010 1 5 . 1 1 120 120 ALA CA C 120 55.040 55.040 55.081 -0.041 19974 4011 1 5 . 1 1 120 120 ALA CB C 120 17.380 17.380 18.299 -0.919 19974 4012 1 5 . 1 1 120 120 ALA H H 120 9.092 9.092 8.137 0.955 19974 4013 1 5 . 1 1 121 121 GLY N N 121 104.130 104.130 106.869 -2.739 19974 4014 1 5 . 1 1 121 121 GLY C C 121 174.930 174.930 176.398 -1.468 19974 4015 1 5 . 1 1 121 121 GLY CA C 121 47.590 47.590 47.112 0.478 19974 4016 1 5 . 1 1 121 121 GLY H H 121 8.606 8.606 8.266 0.340 19974 4017 1 5 . 1 1 122 122 MET N N 122 117.000 117.000 120.244 -3.244 19974 4018 1 5 . 1 1 122 122 MET HA H 122 4.183 4.183 4.135 0.048 19974 4019 1 5 . 1 1 122 122 MET C C 122 178.500 178.500 177.981 0.519 19974 4020 1 5 . 1 1 122 122 MET CA C 122 57.470 57.470 58.887 -1.417 19974 4021 1 5 . 1 1 122 122 MET CB C 122 32.200 32.200 32.748 -0.548 19974 4022 1 5 . 1 1 122 122 MET H H 122 7.284 7.284 8.396 -1.112 19974 4023 1 5 . 1 1 123 123 ALA N N 123 124.060 124.060 120.473 3.587 19974 4024 1 5 . 1 1 123 123 ALA HA H 123 4.076 4.076 4.399 -0.323 19974 4025 1 5 . 1 1 123 123 ALA C C 123 180.880 180.880 180.381 0.499 19974 4026 1 5 . 1 1 123 123 ALA CA C 123 54.760 54.760 54.347 0.413 19974 4027 1 5 . 1 1 123 123 ALA CB C 123 17.590 17.590 19.003 -1.413 19974 4028 1 5 . 1 1 123 123 ALA H H 123 8.308 8.308 7.640 0.668 19974 4029 1 5 . 1 1 124 124 LEU N N 124 117.060 117.060 120.921 -3.861 19974 4030 1 5 . 1 1 124 124 LEU HA H 124 4.270 4.270 4.265 0.005 19974 4031 1 5 . 1 1 124 124 LEU C C 124 179.170 179.170 178.866 0.304 19974 4032 1 5 . 1 1 124 124 LEU CA C 124 57.840 57.840 57.978 -0.138 19974 4033 1 5 . 1 1 124 124 LEU CB C 124 42.920 42.920 41.868 1.052 19974 4034 1 5 . 1 1 124 124 LEU H H 124 8.871 8.871 8.887 -0.016 19974 4035 1 5 . 1 1 125 125 ALA N N 125 120.950 120.950 120.212 0.738 19974 4036 1 5 . 1 1 125 125 ALA HA H 125 3.956 3.956 4.456 -0.500 19974 4037 1 5 . 1 1 125 125 ALA C C 125 177.740 177.740 179.141 -1.401 19974 4038 1 5 . 1 1 125 125 ALA CA C 125 55.220 55.220 54.493 0.727 19974 4039 1 5 . 1 1 125 125 ALA CB C 125 19.180 19.180 18.377 0.803 19974 4040 1 5 . 1 1 125 125 ALA H H 125 7.829 7.829 8.452 -0.623 19974 4041 1 5 . 1 1 126 126 LYS N N 126 113.320 113.320 118.396 -5.076 19974 4042 1 5 . 1 1 126 126 LYS HA H 126 3.798 3.798 4.068 -0.270 19974 4043 1 5 . 1 1 126 126 LYS C C 126 176.550 176.550 177.880 -1.330 19974 4044 1 5 . 1 1 126 126 LYS CA C 126 58.490 58.490 58.641 -0.150 19974 4045 1 5 . 1 1 126 126 LYS CB C 126 32.620 32.620 32.609 0.011 19974 4046 1 5 . 1 1 126 126 LYS H H 126 6.971 6.971 7.742 -0.771 19974 4047 1 5 . 1 1 127 127 TYR N N 127 113.850 113.850 117.159 -3.309 19974 4048 1 5 . 1 1 127 127 TYR HA H 127 4.067 4.067 4.278 -0.211 19974 4049 1 5 . 1 1 127 127 TYR C C 127 174.390 174.390 176.650 -2.260 19974 4050 1 5 . 1 1 127 127 TYR CA C 127 58.770 58.770 60.676 -1.906 19974 4051 1 5 . 1 1 127 127 TYR CB C 127 41.930 41.930 39.555 2.375 19974 4052 1 5 . 1 1 127 127 TYR H H 127 6.817 6.817 7.664 -0.847 19974 4053 1 5 . 1 1 128 128 PHE N N 128 116.130 116.130 117.363 -1.233 19974 4054 1 5 . 1 1 128 128 PHE HA H 128 4.907 4.907 5.080 -0.173 19974 4055 1 5 . 1 1 128 128 PHE C C 128 172.450 172.450 173.534 -1.084 19974 4056 1 5 . 1 1 128 128 PHE CA C 128 55.003 55.003 55.011 -0.009 19974 4057 1 5 . 1 1 128 128 PHE CB C 128 38.550 38.550 39.956 -1.405 19974 4058 1 5 . 1 1 128 128 PHE H H 128 8.688 8.688 8.657 0.031 19974 4059 1 5 . 1 1 129 129 PRO HA H 129 4.680 4.680 4.633 0.047 19974 4060 1 5 . 1 1 129 129 PRO C C 129 175.720 175.720 176.163 -0.443 19974 4061 1 5 . 1 1 129 129 PRO CA C 129 63.382 63.382 62.675 0.707 19974 4062 1 5 . 1 1 129 129 PRO CB C 129 31.810 31.810 32.525 -0.715 19974 4063 1 5 . 1 1 130 130 TRP N N 130 123.170 123.170 125.505 -2.335 19974 4064 1 5 . 1 1 130 130 TRP HA H 130 4.031 4.031 4.737 -0.706 19974 4065 1 5 . 1 1 130 130 TRP C C 130 175.310 175.310 176.082 -0.772 19974 4066 1 5 . 1 1 130 130 TRP CA C 130 59.510 59.510 57.595 1.915 19974 4067 1 5 . 1 1 130 130 TRP CB C 130 29.300 29.300 30.095 -0.795 19974 4068 1 5 . 1 1 130 130 TRP H H 130 7.910 7.910 8.593 -0.683 19974 4069 1 5 . 1 1 131 131 LYS N N 131 127.060 127.060 127.992 -0.932 19974 4070 1 5 . 1 1 131 131 LYS HA H 131 4.260 4.260 4.290 -0.030 19974 4071 1 5 . 1 1 131 131 LYS C C 131 174.450 174.450 176.417 -1.967 19974 4072 1 5 . 1 1 131 131 LYS CA C 131 53.240 53.240 54.709 -1.469 19974 4073 1 5 . 1 1 131 131 LYS CB C 131 35.250 35.250 34.272 0.978 19974 4074 1 5 . 1 1 131 131 LYS H H 131 8.097 8.097 7.976 0.121 19974 4075 1 5 . 1 1 132 132 LYS N N 132 116.250 116.250 120.881 -4.631 19974 4076 1 5 . 1 1 132 132 LYS HA H 132 3.398 3.398 3.321 0.077 19974 4077 1 5 . 1 1 132 132 LYS C C 132 176.550 176.550 176.187 0.363 19974 4078 1 5 . 1 1 132 132 LYS CA C 132 58.140 58.140 57.749 0.391 19974 4079 1 5 . 1 1 132 132 LYS CB C 132 31.880 31.880 32.279 -0.400 19974 4080 1 5 . 1 1 132 132 LYS H H 132 7.761 7.761 8.499 -0.738 19974 4081 1 5 . 1 1 133 133 ASP N N 133 116.600 116.600 116.148 0.452 19974 4082 1 5 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.547 -0.196 19974 4083 1 5 . 1 1 133 133 ASP C C 133 175.320 175.320 175.775 -0.455 19974 4084 1 5 . 1 1 133 133 ASP CA C 133 52.520 52.520 52.982 -0.462 19974 4085 1 5 . 1 1 133 133 ASP CB C 133 38.720 38.720 39.986 -1.266 19974 4086 1 5 . 1 1 133 133 ASP H H 133 7.633 7.633 7.574 0.059 19974 4087 1 5 . 1 1 134 134 ASP N N 134 119.140 119.140 121.039 -1.899 19974 4088 1 5 . 1 1 134 134 ASP HA H 134 3.989 3.989 4.395 -0.406 19974 4089 1 5 . 1 1 134 134 ASP C C 134 175.500 175.500 176.377 -0.877 19974 4090 1 5 . 1 1 134 134 ASP CA C 134 56.410 56.410 54.685 1.725 19974 4091 1 5 . 1 1 134 134 ASP CB C 134 42.740 42.740 41.701 1.039 19974 4092 1 5 . 1 1 134 134 ASP H H 134 7.251 7.251 7.234 0.017 19974 4093 1 5 . 1 1 135 135 ILE N N 135 123.230 123.230 117.787 5.443 19974 4094 1 5 . 1 1 135 135 ILE HA H 135 4.301 4.301 4.564 -0.263 19974 4095 1 5 . 1 1 135 135 ILE C C 135 176.300 176.300 174.072 2.228 19974 4096 1 5 . 1 1 135 135 ILE CA C 135 58.640 58.640 59.401 -0.761 19974 4097 1 5 . 1 1 135 135 ILE CB C 135 40.800 40.800 40.901 -0.101 19974 4098 1 5 . 1 1 135 135 ILE H H 135 8.351 8.351 7.962 0.390 19974 4099 1 5 . 1 1 136 136 ASP N N 136 131.670 131.670 122.857 8.813 19974 4100 1 5 . 1 1 136 136 ASP HA H 136 5.640 5.640 4.980 0.660 19974 4101 1 5 . 1 1 136 136 ASP C C 136 176.150 176.150 175.310 0.840 19974 4102 1 5 . 1 1 136 136 ASP CA C 136 52.560 52.560 52.983 -0.423 19974 4103 1 5 . 1 1 136 136 ASP CB C 136 38.180 38.180 41.646 -3.466 19974 4104 1 5 . 1 1 136 136 ASP H H 136 9.036 9.036 8.272 0.764 19974 4105 1 5 . 1 1 137 137 GLU N N 137 125.270 125.270 123.563 1.707 19974 4106 1 5 . 1 1 137 137 GLU HA H 137 3.735 3.735 4.377 -0.642 19974 4107 1 5 . 1 1 137 137 GLU C C 137 176.110 176.110 176.212 -0.102 19974 4108 1 5 . 1 1 137 137 GLU CA C 137 59.490 59.490 56.919 2.571 19974 4109 1 5 . 1 1 137 137 GLU CB C 137 32.880 32.880 30.958 1.922 19974 4110 1 5 . 1 1 137 137 GLU H H 137 8.435 8.435 9.299 -0.864 19974 4111 1 5 . 1 1 138 138 LEU N N 138 117.210 117.210 121.008 -3.798 19974 4112 1 5 . 1 1 138 138 LEU HA H 138 4.960 4.960 4.689 0.271 19974 4113 1 5 . 1 1 138 138 LEU C C 138 173.560 173.560 174.638 -1.078 19974 4114 1 5 . 1 1 138 138 LEU CA C 138 50.310 50.310 51.634 -1.324 19974 4115 1 5 . 1 1 138 138 LEU CB C 138 41.350 41.350 43.020 -1.670 19974 4116 1 5 . 1 1 138 138 LEU H H 138 8.308 8.308 8.130 0.178 19974 4117 1 5 . 1 1 139 139 PRO HA H 139 4.335 4.335 4.630 -0.295 19974 4118 1 5 . 1 1 139 139 PRO C C 139 177.700 177.700 176.887 0.813 19974 4119 1 5 . 1 1 139 139 PRO CA C 139 62.550 62.550 62.021 0.529 19974 4120 1 5 . 1 1 139 139 PRO CB C 139 32.520 32.520 32.718 -0.198 19974 4121 1 5 . 1 1 140 140 ASN N N 140 120.930 120.930 120.943 -0.013 19974 4122 1 5 . 1 1 140 140 ASN HA H 140 4.730 4.730 4.763 -0.033 19974 4123 1 5 . 1 1 140 140 ASN C C 140 174.460 174.460 174.851 -0.391 19974 4124 1 5 . 1 1 140 140 ASN CA C 140 52.790 52.790 53.181 -0.390 19974 4125 1 5 . 1 1 140 140 ASN CB C 140 38.520 38.520 37.463 1.057 19974 4126 1 5 . 1 1 140 140 ASN H H 140 9.213 9.213 8.716 0.497 19974 4127 1 5 . 1 1 141 141 THR N N 141 107.730 107.730 114.116 -6.386 19974 4128 1 5 . 1 1 141 141 THR HA H 141 3.853 3.853 4.399 -0.546 19974 4129 1 5 . 1 1 141 141 THR C C 141 176.410 176.410 173.607 2.803 19974 4130 1 5 . 1 1 141 141 THR CA C 141 61.560 61.560 60.369 1.191 19974 4131 1 5 . 1 1 141 141 THR CB C 141 69.450 69.450 70.089 -0.639 19974 4132 1 5 . 1 1 141 141 THR H H 141 7.003 7.003 7.593 -0.590 19974 4133 1 5 . 1 1 142 142 ILE N N 142 129.530 129.530 123.129 6.401 19974 4134 1 5 . 1 1 142 142 ILE HA H 142 3.976 3.976 4.123 -0.147 19974 4135 1 5 . 1 1 142 142 ILE C C 142 176.020 176.020 176.007 0.013 19974 4136 1 5 . 1 1 142 142 ILE CA C 142 62.150 62.150 59.704 2.446 19974 4137 1 5 . 1 1 142 142 ILE CB C 142 37.890 37.890 37.677 0.213 19974 4138 1 5 . 1 1 142 142 ILE H H 142 9.030 9.030 8.397 0.633 19974 4139 1 5 . 1 1 143 143 SER N N 143 124.630 124.630 123.578 1.052 19974 4140 1 5 . 1 1 143 143 SER HA H 143 4.481 4.481 4.754 -0.273 19974 4141 1 5 . 1 1 143 143 SER C C 143 172.920 172.920 172.998 -0.078 19974 4142 1 5 . 1 1 143 143 SER CA C 143 57.120 57.120 57.649 -0.529 19974 4143 1 5 . 1 1 143 143 SER CB C 143 60.710 60.710 64.650 -3.940 19974 4144 1 5 . 1 1 143 143 SER H H 143 8.709 8.709 8.859 -0.150 19974 4145 1 5 . 1 1 144 144 LYS N N 144 126.170 126.170 123.746 2.424 19974 4146 1 5 . 1 1 144 144 LYS HA H 144 4.954 4.954 4.560 0.394 19974 4147 1 5 . 1 1 144 144 LYS C C 144 175.910 175.910 176.296 -0.386 19974 4148 1 5 . 1 1 144 144 LYS CA C 144 54.580 54.580 54.930 -0.350 19974 4149 1 5 . 1 1 144 144 LYS CB C 144 35.170 35.170 35.722 -0.552 19974 4150 1 5 . 1 1 144 144 LYS H H 144 8.043 8.043 8.421 -0.378 19974 4151 1 6 . 1 1 3 3 LYS HA H 3 4.317 4.317 4.506 -0.189 19974 4152 1 6 . 1 1 3 3 LYS C C 3 176.840 176.840 174.354 2.486 19974 4153 1 6 . 1 1 3 3 LYS CA C 3 56.180 56.180 55.893 0.287 19974 4154 1 6 . 1 1 3 3 LYS CB C 3 33.030 33.030 33.410 -0.380 19974 4155 1 6 . 1 1 4 4 ILE N N 4 122.990 122.990 124.058 -1.068 19974 4156 1 6 . 1 1 4 4 ILE HA H 4 3.919 3.919 4.400 -0.481 19974 4157 1 6 . 1 1 4 4 ILE C C 4 176.120 176.120 175.636 0.484 19974 4158 1 6 . 1 1 4 4 ILE CA C 4 61.530 61.530 61.308 0.222 19974 4159 1 6 . 1 1 4 4 ILE CB C 4 38.040 38.040 40.906 -2.866 19974 4160 1 6 . 1 1 4 4 ILE H H 4 8.391 8.391 8.546 -0.155 19974 4161 1 6 . 1 1 5 5 GLU N N 5 123.430 123.430 126.850 -3.420 19974 4162 1 6 . 1 1 5 5 GLU HA H 5 4.116 4.116 4.456 -0.340 19974 4163 1 6 . 1 1 5 5 GLU C C 5 175.830 175.830 175.552 0.278 19974 4164 1 6 . 1 1 5 5 GLU CA C 5 56.900 56.900 55.851 1.049 19974 4165 1 6 . 1 1 5 5 GLU CB C 5 29.350 29.350 29.311 0.039 19974 4166 1 6 . 1 1 5 5 GLU H H 5 8.508 8.508 8.692 -0.184 19974 4167 1 6 . 1 1 6 6 GLU N N 6 119.490 119.490 118.254 1.236 19974 4168 1 6 . 1 1 6 6 GLU HA H 6 4.128 4.128 3.969 0.159 19974 4169 1 6 . 1 1 6 6 GLU C C 6 176.270 176.270 175.512 0.758 19974 4170 1 6 . 1 1 6 6 GLU CA C 6 55.700 55.700 57.334 -1.634 19974 4171 1 6 . 1 1 6 6 GLU CB C 6 30.190 30.190 29.346 0.844 19974 4172 1 6 . 1 1 6 6 GLU H H 6 7.843 7.843 8.594 -0.751 19974 4173 1 6 . 1 1 7 7 PHE N N 7 121.090 121.090 118.682 2.408 19974 4174 1 6 . 1 1 7 7 PHE HA H 7 4.284 4.284 4.304 -0.020 19974 4175 1 6 . 1 1 7 7 PHE C C 7 174.810 174.810 174.453 0.357 19974 4176 1 6 . 1 1 7 7 PHE CA C 7 59.660 59.660 59.332 0.328 19974 4177 1 6 . 1 1 7 7 PHE CB C 7 39.990 39.990 39.746 0.244 19974 4178 1 6 . 1 1 7 7 PHE H H 7 8.092 8.092 8.141 -0.049 19974 4179 1 6 . 1 1 8 8 LEU N N 8 116.700 116.700 119.115 -2.415 19974 4180 1 6 . 1 1 8 8 LEU HA H 8 4.792 4.792 4.639 0.153 19974 4181 1 6 . 1 1 8 8 LEU C C 8 176.940 176.940 176.398 0.542 19974 4182 1 6 . 1 1 8 8 LEU CA C 8 52.730 52.730 52.808 -0.078 19974 4183 1 6 . 1 1 8 8 LEU CB C 8 45.650 45.650 45.171 0.479 19974 4184 1 6 . 1 1 8 8 LEU H H 8 7.721 7.721 8.143 -0.422 19974 4185 1 6 . 1 1 9 9 THR N N 9 113.700 113.700 113.465 0.235 19974 4186 1 6 . 1 1 9 9 THR HA H 9 4.397 4.397 4.361 0.036 19974 4187 1 6 . 1 1 9 9 THR C C 9 175.410 175.410 175.719 -0.309 19974 4188 1 6 . 1 1 9 9 THR CA C 9 60.650 60.650 60.766 -0.115 19974 4189 1 6 . 1 1 9 9 THR CB C 9 70.800 70.800 71.050 -0.250 19974 4190 1 6 . 1 1 9 9 THR H H 9 9.224 9.224 8.472 0.752 19974 4191 1 6 . 1 1 10 10 ALA N N 10 123.350 123.350 123.423 -0.073 19974 4192 1 6 . 1 1 10 10 ALA HA H 10 4.036 4.036 4.012 0.024 19974 4193 1 6 . 1 1 10 10 ALA C C 10 181.050 181.050 179.839 1.211 19974 4194 1 6 . 1 1 10 10 ALA CA C 10 55.500 55.500 55.363 0.137 19974 4195 1 6 . 1 1 10 10 ALA CB C 10 17.914 17.914 18.452 -0.538 19974 4196 1 6 . 1 1 10 10 ALA H H 10 8.881 8.881 8.722 0.159 19974 4197 1 6 . 1 1 11 11 GLU N N 11 117.680 117.680 117.435 0.245 19974 4198 1 6 . 1 1 11 11 GLU HA H 11 3.949 3.949 4.080 -0.131 19974 4199 1 6 . 1 1 11 11 GLU C C 11 179.500 179.500 179.214 0.286 19974 4200 1 6 . 1 1 11 11 GLU CA C 11 59.490 59.490 59.045 0.445 19974 4201 1 6 . 1 1 11 11 GLU CB C 11 29.120 29.120 28.968 0.152 19974 4202 1 6 . 1 1 11 11 GLU H H 11 8.460 8.460 8.728 -0.268 19974 4203 1 6 . 1 1 12 12 GLU N N 12 121.860 121.860 120.836 1.024 19974 4204 1 6 . 1 1 12 12 GLU HA H 12 3.818 3.818 4.036 -0.218 19974 4205 1 6 . 1 1 12 12 GLU C C 12 178.130 178.130 179.025 -0.895 19974 4206 1 6 . 1 1 12 12 GLU CA C 12 59.210 59.210 59.452 -0.242 19974 4207 1 6 . 1 1 12 12 GLU CB C 12 30.800 30.800 29.437 1.363 19974 4208 1 6 . 1 1 12 12 GLU H H 12 7.698 7.698 7.638 0.060 19974 4209 1 6 . 1 1 13 13 GLU N N 13 118.170 118.170 119.145 -0.975 19974 4210 1 6 . 1 1 13 13 GLU HA H 13 3.640 3.640 4.058 -0.418 19974 4211 1 6 . 1 1 13 13 GLU C C 13 178.070 178.070 178.907 -0.837 19974 4212 1 6 . 1 1 13 13 GLU CA C 13 60.539 60.539 59.192 1.347 19974 4213 1 6 . 1 1 13 13 GLU CB C 13 29.130 29.130 29.508 -0.378 19974 4214 1 6 . 1 1 13 13 GLU H H 13 8.493 8.493 8.639 -0.146 19974 4215 1 6 . 1 1 14 14 LYS N N 14 117.980 117.980 120.122 -2.142 19974 4216 1 6 . 1 1 14 14 LYS HA H 14 3.887 3.887 4.100 -0.213 19974 4217 1 6 . 1 1 14 14 LYS C C 14 177.420 177.420 178.614 -1.194 19974 4218 1 6 . 1 1 14 14 LYS CA C 14 59.350 59.350 59.129 0.221 19974 4219 1 6 . 1 1 14 14 LYS CB C 14 32.200 32.200 32.513 -0.313 19974 4220 1 6 . 1 1 14 14 LYS H H 14 7.650 7.650 7.887 -0.237 19974 4221 1 6 . 1 1 15 15 ALA N N 15 119.210 119.210 121.676 -2.466 19974 4222 1 6 . 1 1 15 15 ALA HA H 15 4.098 4.098 4.069 0.029 19974 4223 1 6 . 1 1 15 15 ALA C C 15 180.550 180.550 179.588 0.962 19974 4224 1 6 . 1 1 15 15 ALA CA C 15 54.600 54.600 55.029 -0.429 19974 4225 1 6 . 1 1 15 15 ALA CB C 15 17.790 17.790 18.480 -0.690 19974 4226 1 6 . 1 1 15 15 ALA H H 15 7.362 7.362 8.008 -0.646 19974 4227 1 6 . 1 1 16 16 ILE N N 16 119.990 119.990 118.762 1.228 19974 4228 1 6 . 1 1 16 16 ILE HA H 16 3.493 3.493 3.709 -0.216 19974 4229 1 6 . 1 1 16 16 ILE C C 16 176.510 176.510 177.541 -1.031 19974 4230 1 6 . 1 1 16 16 ILE CA C 16 65.072 65.072 64.085 0.987 19974 4231 1 6 . 1 1 16 16 ILE CB C 16 37.580 37.580 38.431 -0.851 19974 4232 1 6 . 1 1 16 16 ILE H H 16 7.592 7.592 7.600 -0.008 19974 4233 1 6 . 1 1 17 17 VAL N N 17 121.520 121.520 120.981 0.539 19974 4234 1 6 . 1 1 17 17 VAL HA H 17 3.504 3.504 3.595 -0.091 19974 4235 1 6 . 1 1 17 17 VAL C C 17 178.620 178.620 178.003 0.617 19974 4236 1 6 . 1 1 17 17 VAL CA C 17 67.324 67.324 66.571 0.753 19974 4237 1 6 . 1 1 17 17 VAL CB C 17 31.350 31.350 31.602 -0.252 19974 4238 1 6 . 1 1 17 17 VAL H H 17 8.155 8.155 7.624 0.531 19974 4239 1 6 . 1 1 18 18 ASP N N 18 120.000 120.000 119.378 0.622 19974 4240 1 6 . 1 1 18 18 ASP HA H 18 4.223 4.223 4.449 -0.226 19974 4241 1 6 . 1 1 18 18 ASP C C 18 177.980 177.980 177.577 0.403 19974 4242 1 6 . 1 1 18 18 ASP CA C 18 57.050 57.050 56.952 0.098 19974 4243 1 6 . 1 1 18 18 ASP CB C 18 39.410 39.410 40.559 -1.149 19974 4244 1 6 . 1 1 18 18 ASP H H 18 8.605 8.605 7.975 0.630 19974 4245 1 6 . 1 1 19 19 ALA N N 19 122.620 122.620 122.429 0.191 19974 4246 1 6 . 1 1 19 19 ALA HA H 19 4.194 4.194 4.113 0.081 19974 4247 1 6 . 1 1 19 19 ALA C C 19 180.720 180.720 179.440 1.280 19974 4248 1 6 . 1 1 19 19 ALA CA C 19 54.970 54.970 54.809 0.161 19974 4249 1 6 . 1 1 19 19 ALA CB C 19 17.850 17.850 18.631 -0.781 19974 4250 1 6 . 1 1 19 19 ALA H H 19 7.702 7.702 7.333 0.369 19974 4251 1 6 . 1 1 20 20 ILE N N 20 122.620 122.620 118.904 3.716 19974 4252 1 6 . 1 1 20 20 ILE HA H 20 3.309 3.309 3.536 -0.227 19974 4253 1 6 . 1 1 20 20 ILE C C 20 176.740 176.740 178.096 -1.356 19974 4254 1 6 . 1 1 20 20 ILE CA C 20 66.830 66.830 65.412 1.418 19974 4255 1 6 . 1 1 20 20 ILE CB C 20 38.140 38.140 37.567 0.573 19974 4256 1 6 . 1 1 20 20 ILE H H 20 8.234 8.234 7.575 0.659 19974 4257 1 6 . 1 1 21 21 ARG N N 21 119.660 119.660 119.442 0.218 19974 4258 1 6 . 1 1 21 21 ARG HA H 21 3.899 3.899 4.092 -0.193 19974 4259 1 6 . 1 1 21 21 ARG C C 21 179.540 179.540 178.867 0.673 19974 4260 1 6 . 1 1 21 21 ARG CA C 21 58.990 58.990 59.488 -0.498 19974 4261 1 6 . 1 1 21 21 ARG CB C 21 29.020 29.020 30.022 -1.002 19974 4262 1 6 . 1 1 21 21 ARG H H 21 8.212 8.212 7.636 0.576 19974 4263 1 6 . 1 1 22 22 ASP N N 22 118.640 118.640 118.932 -0.292 19974 4264 1 6 . 1 1 22 22 ASP HA H 22 4.239 4.239 4.463 -0.224 19974 4265 1 6 . 1 1 22 22 ASP C C 22 179.190 179.190 178.545 0.645 19974 4266 1 6 . 1 1 22 22 ASP CA C 22 57.270 57.270 56.729 0.541 19974 4267 1 6 . 1 1 22 22 ASP CB C 22 39.770 39.770 40.484 -0.714 19974 4268 1 6 . 1 1 22 22 ASP H H 22 8.137 8.137 7.934 0.203 19974 4269 1 6 . 1 1 23 23 ALA N N 23 126.120 126.120 123.452 2.668 19974 4270 1 6 . 1 1 23 23 ALA HA H 23 4.207 4.207 4.010 0.197 19974 4271 1 6 . 1 1 23 23 ALA C C 23 181.060 181.060 179.515 1.545 19974 4272 1 6 . 1 1 23 23 ALA CA C 23 55.430 55.430 55.025 0.405 19974 4273 1 6 . 1 1 23 23 ALA CB C 23 18.690 18.690 18.474 0.216 19974 4274 1 6 . 1 1 23 23 ALA H H 23 8.500 8.500 7.901 0.599 19974 4275 1 6 . 1 1 24 24 GLU N N 24 115.460 115.460 116.218 -0.758 19974 4276 1 6 . 1 1 24 24 GLU HA H 24 4.213 4.213 4.280 -0.067 19974 4277 1 6 . 1 1 24 24 GLU C C 24 176.390 176.390 177.504 -1.114 19974 4278 1 6 . 1 1 24 24 GLU CA C 24 58.180 58.180 58.453 -0.273 19974 4279 1 6 . 1 1 24 24 GLU CB C 24 28.200 28.200 29.658 -1.458 19974 4280 1 6 . 1 1 24 24 GLU H H 24 8.451 8.451 7.968 0.483 19974 4281 1 6 . 1 1 25 25 LYS N N 25 115.790 115.790 115.093 0.697 19974 4282 1 6 . 1 1 25 25 LYS HA H 25 3.739 3.739 4.225 -0.486 19974 4283 1 6 . 1 1 25 25 LYS C C 25 176.020 176.020 175.881 0.139 19974 4284 1 6 . 1 1 25 25 LYS CA C 25 56.220 56.220 54.622 1.598 19974 4285 1 6 . 1 1 25 25 LYS CB C 25 32.070 32.070 31.461 0.609 19974 4286 1 6 . 1 1 25 25 LYS H H 25 7.083 7.083 7.371 -0.288 19974 4287 1 6 . 1 1 26 26 ASN N N 26 115.060 115.060 116.929 -1.869 19974 4288 1 6 . 1 1 26 26 ASN HA H 26 4.749 4.749 4.809 -0.060 19974 4289 1 6 . 1 1 26 26 ASN C C 26 174.280 174.280 174.193 0.087 19974 4290 1 6 . 1 1 26 26 ASN CA C 26 53.050 53.050 53.713 -0.663 19974 4291 1 6 . 1 1 26 26 ASN CB C 26 40.410 40.410 41.419 -1.008 19974 4292 1 6 . 1 1 26 26 ASN H H 26 7.931 7.931 8.099 -0.168 19974 4293 1 6 . 1 1 27 27 THR N N 27 113.430 113.430 112.653 0.777 19974 4294 1 6 . 1 1 27 27 THR HA H 27 5.507 5.507 4.885 0.622 19974 4295 1 6 . 1 1 27 27 THR C C 27 170.850 170.850 173.171 -2.321 19974 4296 1 6 . 1 1 27 27 THR CA C 27 57.130 57.130 60.892 -3.762 19974 4297 1 6 . 1 1 27 27 THR CB C 27 70.200 70.200 70.079 0.121 19974 4298 1 6 . 1 1 27 27 THR H H 27 7.619 7.619 7.821 -0.202 19974 4299 1 6 . 1 1 28 28 SER N N 28 119.450 119.450 121.048 -1.598 19974 4300 1 6 . 1 1 28 28 SER HA H 28 4.773 4.773 4.774 -0.001 19974 4301 1 6 . 1 1 28 28 SER C C 28 176.330 176.330 174.903 1.427 19974 4302 1 6 . 1 1 28 28 SER CA C 28 58.913 58.913 59.444 -0.531 19974 4303 1 6 . 1 1 28 28 SER CB C 28 64.360 64.360 63.551 0.809 19974 4304 1 6 . 1 1 28 28 SER H H 28 7.706 7.706 8.749 -1.043 19974 4305 1 6 . 1 1 29 29 GLY N N 29 111.350 111.350 108.488 2.862 19974 4306 1 6 . 1 1 29 29 GLY C C 29 171.210 171.210 172.642 -1.432 19974 4307 1 6 . 1 1 29 29 GLY CA C 29 44.643 44.643 44.252 0.391 19974 4308 1 6 . 1 1 29 29 GLY H H 29 9.011 9.011 7.262 1.749 19974 4309 1 6 . 1 1 30 30 GLU N N 30 120.620 120.620 120.698 -0.078 19974 4310 1 6 . 1 1 30 30 GLU HA H 30 4.867 4.867 4.806 0.061 19974 4311 1 6 . 1 1 30 30 GLU C C 30 174.500 174.500 174.740 -0.240 19974 4312 1 6 . 1 1 30 30 GLU CA C 30 54.320 54.320 55.350 -1.030 19974 4313 1 6 . 1 1 30 30 GLU CB C 30 34.030 34.030 33.839 0.191 19974 4314 1 6 . 1 1 30 30 GLU H H 30 6.897 6.897 8.472 -1.575 19974 4315 1 6 . 1 1 31 31 ILE N N 31 121.650 121.650 125.375 -3.725 19974 4316 1 6 . 1 1 31 31 ILE HA H 31 5.171 5.171 4.476 0.695 19974 4317 1 6 . 1 1 31 31 ILE C C 31 175.550 175.550 175.362 0.188 19974 4318 1 6 . 1 1 31 31 ILE CA C 31 59.740 59.740 60.354 -0.614 19974 4319 1 6 . 1 1 31 31 ILE CB C 31 42.520 42.520 38.356 4.163 19974 4320 1 6 . 1 1 31 31 ILE H H 31 8.546 8.546 8.706 -0.160 19974 4321 1 6 . 1 1 32 32 ARG N N 32 121.690 121.690 127.958 -6.268 19974 4322 1 6 . 1 1 32 32 ARG HA H 32 4.951 4.951 4.643 0.308 19974 4323 1 6 . 1 1 32 32 ARG C C 32 173.740 173.740 174.115 -0.375 19974 4324 1 6 . 1 1 32 32 ARG CA C 32 55.220 55.220 54.444 0.776 19974 4325 1 6 . 1 1 32 32 ARG CB C 32 34.720 34.720 33.956 0.764 19974 4326 1 6 . 1 1 32 32 ARG H H 32 8.751 8.751 8.839 -0.088 19974 4327 1 6 . 1 1 33 33 VAL N N 33 120.770 120.770 121.463 -0.693 19974 4328 1 6 . 1 1 33 33 VAL HA H 33 4.972 4.972 4.668 0.304 19974 4329 1 6 . 1 1 33 33 VAL C C 33 173.790 173.790 173.346 0.444 19974 4330 1 6 . 1 1 33 33 VAL CA C 33 59.700 59.700 59.998 -0.298 19974 4331 1 6 . 1 1 33 33 VAL CB C 33 34.820 34.820 34.630 0.190 19974 4332 1 6 . 1 1 33 33 VAL H H 33 8.617 8.617 8.772 -0.155 19974 4333 1 6 . 1 1 34 34 HIS N N 34 125.000 125.000 127.570 -2.570 19974 4334 1 6 . 1 1 34 34 HIS HA H 34 5.743 5.743 5.455 0.288 19974 4335 1 6 . 1 1 34 34 HIS C C 34 172.790 172.790 172.856 -0.066 19974 4336 1 6 . 1 1 34 34 HIS CA C 34 54.370 54.370 54.070 0.300 19974 4337 1 6 . 1 1 34 34 HIS CB C 34 36.840 36.840 33.516 3.325 19974 4338 1 6 . 1 1 34 34 HIS H H 34 8.552 8.552 9.228 -0.676 19974 4339 1 6 . 1 1 35 35 LEU N N 35 124.400 124.400 127.341 -2.941 19974 4340 1 6 . 1 1 35 35 LEU HA H 35 4.800 4.800 4.950 -0.150 19974 4341 1 6 . 1 1 35 35 LEU C C 35 174.490 174.490 173.974 0.516 19974 4342 1 6 . 1 1 35 35 LEU CA C 35 52.190 52.190 53.516 -1.326 19974 4343 1 6 . 1 1 35 35 LEU CB C 35 44.880 44.880 45.493 -0.613 19974 4344 1 6 . 1 1 35 35 LEU H H 35 8.006 8.006 8.028 -0.022 19974 4345 1 6 . 1 1 36 36 GLU N N 36 116.112 116.112 125.025 -8.913 19974 4346 1 6 . 1 1 36 36 GLU HA H 36 4.573 4.573 4.642 -0.069 19974 4347 1 6 . 1 1 36 36 GLU C C 36 174.350 174.350 175.586 -1.236 19974 4348 1 6 . 1 1 36 36 GLU CA C 36 54.130 54.130 55.211 -1.081 19974 4349 1 6 . 1 1 36 36 GLU CB C 36 31.960 31.960 33.402 -1.442 19974 4350 1 6 . 1 1 36 36 GLU H H 36 8.235 8.235 8.464 -0.229 19974 4351 1 6 . 1 1 37 37 LYS N N 37 121.210 121.210 121.756 -0.546 19974 4352 1 6 . 1 1 37 37 LYS HA H 37 3.731 3.731 4.246 -0.515 19974 4353 1 6 . 1 1 37 37 LYS C C 37 175.200 175.200 176.279 -1.079 19974 4354 1 6 . 1 1 37 37 LYS CA C 37 61.410 61.410 59.981 1.429 19974 4355 1 6 . 1 1 37 37 LYS CB C 37 33.090 33.090 33.318 -0.228 19974 4356 1 6 . 1 1 37 37 LYS H H 37 9.055 9.055 8.762 0.293 19974 4357 1 6 . 1 1 38 38 THR N N 38 107.310 107.310 111.694 -4.384 19974 4358 1 6 . 1 1 38 38 THR HA H 38 4.448 4.448 4.614 -0.166 19974 4359 1 6 . 1 1 38 38 THR C C 38 171.420 171.420 172.680 -1.260 19974 4360 1 6 . 1 1 38 38 THR CA C 38 59.530 59.530 60.769 -1.239 19974 4361 1 6 . 1 1 38 38 THR CB C 38 69.570 69.570 69.779 -0.209 19974 4362 1 6 . 1 1 38 38 THR H H 38 7.480 7.480 7.894 -0.414 19974 4363 1 6 . 1 1 39 39 SER N N 39 116.050 116.050 121.385 -5.335 19974 4364 1 6 . 1 1 39 39 SER HA H 39 4.641 4.641 4.710 -0.069 19974 4365 1 6 . 1 1 39 39 SER C C 39 175.590 175.590 174.926 0.664 19974 4366 1 6 . 1 1 39 39 SER CA C 39 57.340 57.340 57.846 -0.506 19974 4367 1 6 . 1 1 39 39 SER CB C 39 64.560 64.560 64.437 0.123 19974 4368 1 6 . 1 1 39 39 SER H H 39 8.177 8.177 8.575 -0.398 19974 4369 1 6 . 1 1 40 40 GLU N N 40 124.630 124.630 123.398 1.232 19974 4370 1 6 . 1 1 40 40 GLU HA H 40 4.118 4.118 4.350 -0.232 19974 4371 1 6 . 1 1 40 40 GLU C C 40 176.520 176.520 175.870 0.650 19974 4372 1 6 . 1 1 40 40 GLU CA C 40 58.100 58.100 58.316 -0.216 19974 4373 1 6 . 1 1 40 40 GLU CB C 40 29.950 29.950 29.951 -0.001 19974 4374 1 6 . 1 1 40 40 GLU H H 40 8.905 8.905 9.026 -0.121 19974 4375 1 6 . 1 1 41 41 ILE N N 41 113.290 113.290 112.485 0.805 19974 4376 1 6 . 1 1 41 41 ILE HA H 41 4.460 4.460 4.421 0.039 19974 4377 1 6 . 1 1 41 41 ILE C C 41 175.350 175.350 174.551 0.799 19974 4378 1 6 . 1 1 41 41 ILE CA C 41 59.490 59.490 58.456 1.034 19974 4379 1 6 . 1 1 41 41 ILE CB C 41 40.150 40.150 41.101 -0.951 19974 4380 1 6 . 1 1 41 41 ILE H H 41 7.446 7.446 7.353 0.093 19974 4381 1 6 . 1 1 42 42 ASP N N 42 122.230 122.230 121.517 0.713 19974 4382 1 6 . 1 1 42 42 ASP HA H 42 4.280 4.280 4.668 -0.388 19974 4383 1 6 . 1 1 42 42 ASP C C 42 177.430 177.430 177.453 -0.023 19974 4384 1 6 . 1 1 42 42 ASP CA C 42 55.360 55.360 55.236 0.124 19974 4385 1 6 . 1 1 42 42 ASP CB C 42 42.690 42.690 41.464 1.226 19974 4386 1 6 . 1 1 42 42 ASP H H 42 8.271 8.271 8.581 -0.310 19974 4387 1 6 . 1 1 43 43 VAL N N 43 122.150 122.150 122.303 -0.153 19974 4388 1 6 . 1 1 43 43 VAL HA H 43 3.569 3.569 3.578 -0.009 19974 4389 1 6 . 1 1 43 43 VAL C C 43 175.780 175.780 176.938 -1.158 19974 4390 1 6 . 1 1 43 43 VAL CA C 43 65.420 65.420 65.256 0.164 19974 4391 1 6 . 1 1 43 43 VAL CB C 43 31.300 31.300 32.060 -0.760 19974 4392 1 6 . 1 1 43 43 VAL H H 43 8.160 8.160 8.607 -0.447 19974 4393 1 6 . 1 1 44 44 PHE N N 44 121.770 121.770 120.421 1.349 19974 4394 1 6 . 1 1 44 44 PHE HA H 44 3.892 3.892 4.039 -0.147 19974 4395 1 6 . 1 1 44 44 PHE C C 44 177.140 177.140 176.200 0.940 19974 4396 1 6 . 1 1 44 44 PHE CA C 44 62.190 62.190 61.438 0.752 19974 4397 1 6 . 1 1 44 44 PHE CB C 44 38.350 38.350 38.282 0.068 19974 4398 1 6 . 1 1 44 44 PHE H H 44 8.101 8.101 8.141 -0.040 19974 4399 1 6 . 1 1 45 45 ASP N N 45 119.540 119.540 118.307 1.233 19974 4400 1 6 . 1 1 45 45 ASP HA H 45 4.106 4.106 4.053 0.053 19974 4401 1 6 . 1 1 45 45 ASP C C 45 178.380 178.380 178.751 -0.371 19974 4402 1 6 . 1 1 45 45 ASP CA C 45 57.010 57.010 57.438 -0.429 19974 4403 1 6 . 1 1 45 45 ASP CB C 45 37.900 37.900 40.006 -2.106 19974 4404 1 6 . 1 1 45 45 ASP H H 45 7.317 7.317 8.411 -1.094 19974 4405 1 6 . 1 1 46 46 ARG N N 46 119.920 119.920 120.517 -0.597 19974 4406 1 6 . 1 1 46 46 ARG HA H 46 3.733 3.733 3.796 -0.063 19974 4407 1 6 . 1 1 46 46 ARG C C 46 176.750 176.750 178.035 -1.285 19974 4408 1 6 . 1 1 46 46 ARG CA C 46 57.136 57.136 59.296 -2.160 19974 4409 1 6 . 1 1 46 46 ARG CB C 46 28.590 28.590 30.137 -1.547 19974 4410 1 6 . 1 1 46 46 ARG H H 46 8.246 8.246 8.061 0.185 19974 4411 1 6 . 1 1 47 47 ALA N N 47 120.910 120.910 122.027 -1.117 19974 4412 1 6 . 1 1 47 47 ALA HA H 47 3.048 3.048 3.756 -0.708 19974 4413 1 6 . 1 1 47 47 ALA C C 47 177.810 177.810 178.995 -1.185 19974 4414 1 6 . 1 1 47 47 ALA CA C 47 55.010 55.010 55.119 -0.109 19974 4415 1 6 . 1 1 47 47 ALA CB C 47 17.400 17.400 18.180 -0.780 19974 4416 1 6 . 1 1 47 47 ALA H H 47 7.803 7.803 8.011 -0.208 19974 4417 1 6 . 1 1 48 48 MET N N 48 115.800 115.800 117.899 -2.099 19974 4418 1 6 . 1 1 48 48 MET HA H 48 2.568 2.568 3.632 -1.064 19974 4419 1 6 . 1 1 48 48 MET C C 48 177.790 177.790 177.839 -0.049 19974 4420 1 6 . 1 1 48 48 MET CA C 48 58.910 58.910 59.048 -0.138 19974 4421 1 6 . 1 1 48 48 MET CB C 48 32.750 32.750 32.148 0.602 19974 4422 1 6 . 1 1 48 48 MET H H 48 7.148 7.148 7.748 -0.600 19974 4423 1 6 . 1 1 49 49 ASP N N 49 121.130 121.130 119.854 1.276 19974 4424 1 6 . 1 1 49 49 ASP HA H 49 4.326 4.326 4.459 -0.133 19974 4425 1 6 . 1 1 49 49 ASP C C 49 178.960 178.960 179.166 -0.206 19974 4426 1 6 . 1 1 49 49 ASP CA C 49 57.330 57.330 57.193 0.137 19974 4427 1 6 . 1 1 49 49 ASP CB C 49 40.180 40.180 40.728 -0.548 19974 4428 1 6 . 1 1 49 49 ASP H H 49 7.656 7.656 7.926 -0.270 19974 4429 1 6 . 1 1 50 50 VAL N N 50 122.030 122.030 120.937 1.093 19974 4430 1 6 . 1 1 50 50 VAL HA H 50 3.150 3.150 3.612 -0.462 19974 4431 1 6 . 1 1 50 50 VAL C C 50 176.610 176.610 177.615 -1.005 19974 4432 1 6 . 1 1 50 50 VAL CA C 50 66.980 66.980 66.559 0.421 19974 4433 1 6 . 1 1 50 50 VAL CB C 50 30.450 30.450 31.753 -1.303 19974 4434 1 6 . 1 1 50 50 VAL H H 50 8.506 8.506 8.267 0.239 19974 4435 1 6 . 1 1 51 51 PHE N N 51 120.010 120.010 120.764 -0.754 19974 4436 1 6 . 1 1 51 51 PHE HA H 51 3.701 3.701 4.194 -0.493 19974 4437 1 6 . 1 1 51 51 PHE C C 51 176.990 176.990 177.070 -0.080 19974 4438 1 6 . 1 1 51 51 PHE CA C 51 61.610 61.610 61.524 0.086 19974 4439 1 6 . 1 1 51 51 PHE CB C 51 39.350 39.350 39.306 0.043 19974 4440 1 6 . 1 1 51 51 PHE H H 51 8.236 8.236 8.723 -0.487 19974 4441 1 6 . 1 1 52 52 HIS N N 52 114.400 114.400 117.290 -2.890 19974 4442 1 6 . 1 1 52 52 HIS HA H 52 4.322 4.322 4.889 -0.567 19974 4443 1 6 . 1 1 52 52 HIS C C 52 179.389 179.389 178.465 0.924 19974 4444 1 6 . 1 1 52 52 HIS CA C 52 59.670 59.670 58.817 0.853 19974 4445 1 6 . 1 1 52 52 HIS CB C 52 28.380 28.380 30.056 -1.677 19974 4446 1 6 . 1 1 52 52 HIS H H 52 7.595 7.595 8.088 -0.493 19974 4447 1 6 . 1 1 53 53 ASN N N 53 125.300 125.300 120.051 5.249 19974 4448 1 6 . 1 1 53 53 ASN HA H 53 4.346 4.346 4.562 -0.216 19974 4449 1 6 . 1 1 53 53 ASN C C 53 177.560 177.560 176.900 0.660 19974 4450 1 6 . 1 1 53 53 ASN CA C 53 56.260 56.260 55.485 0.775 19974 4451 1 6 . 1 1 53 53 ASN CB C 53 38.020 38.020 38.357 -0.337 19974 4452 1 6 . 1 1 53 53 ASN H H 53 9.216 9.216 8.386 0.830 19974 4453 1 6 . 1 1 54 54 LEU N N 54 117.070 117.070 118.383 -1.313 19974 4454 1 6 . 1 1 54 54 LEU HA H 54 4.114 4.114 4.268 -0.154 19974 4455 1 6 . 1 1 54 54 LEU C C 54 175.780 175.780 175.817 -0.037 19974 4456 1 6 . 1 1 54 54 LEU CA C 54 54.400 54.400 55.192 -0.792 19974 4457 1 6 . 1 1 54 54 LEU CB C 54 42.810 42.810 42.083 0.727 19974 4458 1 6 . 1 1 54 54 LEU H H 54 8.270 8.270 7.857 0.413 19974 4459 1 6 . 1 1 55 55 LYS N N 55 116.580 116.580 114.840 1.740 19974 4460 1 6 . 1 1 55 55 LYS HA H 55 3.954 3.954 3.951 0.003 19974 4461 1 6 . 1 1 55 55 LYS C C 55 177.650 177.650 177.238 0.412 19974 4462 1 6 . 1 1 55 55 LYS CA C 55 56.630 56.630 57.142 -0.511 19974 4463 1 6 . 1 1 55 55 LYS CB C 55 28.110 28.110 29.288 -1.178 19974 4464 1 6 . 1 1 55 55 LYS H H 55 7.953 7.953 7.638 0.315 19974 4465 1 6 . 1 1 56 56 MET N N 56 114.460 114.460 116.594 -2.134 19974 4466 1 6 . 1 1 56 56 MET HA H 56 3.624 3.624 4.018 -0.394 19974 4467 1 6 . 1 1 56 56 MET C C 56 174.010 174.010 177.072 -3.062 19974 4468 1 6 . 1 1 56 56 MET CA C 56 56.800 56.800 58.617 -1.817 19974 4469 1 6 . 1 1 56 56 MET CB C 56 28.620 28.620 31.827 -3.207 19974 4470 1 6 . 1 1 56 56 MET H H 56 7.496 7.496 7.632 -0.136 19974 4471 1 6 . 1 1 57 57 ASP N N 57 113.610 113.610 117.272 -3.662 19974 4472 1 6 . 1 1 57 57 ASP HA H 57 4.490 4.490 4.486 0.004 19974 4473 1 6 . 1 1 57 57 ASP C C 57 176.060 176.060 177.141 -1.081 19974 4474 1 6 . 1 1 57 57 ASP CA C 57 53.030 53.030 56.000 -2.970 19974 4475 1 6 . 1 1 57 57 ASP CB C 57 38.940 38.940 40.055 -1.115 19974 4476 1 6 . 1 1 57 57 ASP H H 57 8.921 8.921 8.525 0.396 19974 4477 1 6 . 1 1 58 58 ASN N N 58 119.880 119.880 116.644 3.236 19974 4478 1 6 . 1 1 58 58 ASN HA H 58 4.885 4.885 4.668 0.217 19974 4479 1 6 . 1 1 58 58 ASN C C 58 174.060 174.060 175.324 -1.264 19974 4480 1 6 . 1 1 58 58 ASN CA C 58 52.190 52.190 53.699 -1.509 19974 4481 1 6 . 1 1 58 58 ASN CB C 58 37.230 37.230 39.015 -1.785 19974 4482 1 6 . 1 1 58 58 ASN H H 58 7.070 7.070 7.706 -0.636 19974 4483 1 6 . 1 1 59 59 THR N N 59 108.570 108.570 111.845 -3.275 19974 4484 1 6 . 1 1 59 59 THR HA H 59 4.449 4.449 4.480 -0.031 19974 4485 1 6 . 1 1 59 59 THR C C 59 175.810 175.810 174.923 0.887 19974 4486 1 6 . 1 1 59 59 THR CA C 59 59.600 59.600 60.724 -1.124 19974 4487 1 6 . 1 1 59 59 THR CB C 59 70.900 70.900 70.328 0.572 19974 4488 1 6 . 1 1 59 59 THR H H 59 7.636 7.636 7.404 0.232 19974 4489 1 6 . 1 1 60 60 LYS N N 60 126.400 126.400 121.971 4.429 19974 4490 1 6 . 1 1 60 60 LYS HA H 60 3.923 3.923 4.198 -0.275 19974 4491 1 6 . 1 1 60 60 LYS C C 60 179.030 179.030 176.940 2.090 19974 4492 1 6 . 1 1 60 60 LYS CA C 60 59.600 59.600 58.501 1.099 19974 4493 1 6 . 1 1 60 60 LYS CB C 60 32.480 32.480 32.293 0.187 19974 4494 1 6 . 1 1 60 60 LYS H H 60 10.322 10.322 8.604 1.718 19974 4495 1 6 . 1 1 61 61 LEU N N 61 114.780 114.780 117.988 -3.208 19974 4496 1 6 . 1 1 61 61 LEU HA H 61 4.430 4.430 4.340 0.090 19974 4497 1 6 . 1 1 61 61 LEU C C 61 175.660 175.660 176.022 -0.362 19974 4498 1 6 . 1 1 61 61 LEU CA C 61 52.830 52.830 54.352 -1.522 19974 4499 1 6 . 1 1 61 61 LEU CB C 61 40.470 40.470 42.618 -2.148 19974 4500 1 6 . 1 1 61 61 LEU H H 61 8.555 8.555 7.883 0.672 19974 4501 1 6 . 1 1 62 62 GLN N N 62 116.490 116.490 114.936 1.554 19974 4502 1 6 . 1 1 62 62 GLN HA H 62 3.715 3.715 3.926 -0.211 19974 4503 1 6 . 1 1 62 62 GLN C C 62 175.060 175.060 174.274 0.786 19974 4504 1 6 . 1 1 62 62 GLN CA C 62 56.440 56.440 56.404 0.036 19974 4505 1 6 . 1 1 62 62 GLN CB C 62 26.480 26.480 25.944 0.536 19974 4506 1 6 . 1 1 62 62 GLN H H 62 7.526 7.526 8.137 -0.611 19974 4507 1 6 . 1 1 63 63 ASN N N 63 114.760 114.760 113.085 1.675 19974 4508 1 6 . 1 1 63 63 ASN HA H 63 4.352 4.352 4.907 -0.555 19974 4509 1 6 . 1 1 63 63 ASN C C 63 173.790 173.790 174.629 -0.839 19974 4510 1 6 . 1 1 63 63 ASN CA C 63 50.680 50.680 52.023 -1.343 19974 4511 1 6 . 1 1 63 63 ASN CB C 63 35.110 35.110 39.557 -4.447 19974 4512 1 6 . 1 1 63 63 ASN H H 63 8.243 8.243 8.092 0.151 19974 4513 1 6 . 1 1 64 64 GLY N N 64 105.820 105.820 108.598 -2.778 19974 4514 1 6 . 1 1 64 64 GLY C C 64 172.650 172.650 172.516 0.134 19974 4515 1 6 . 1 1 64 64 GLY CA C 64 44.136 44.136 44.633 -0.497 19974 4516 1 6 . 1 1 64 64 GLY H H 64 8.618 8.618 8.703 -0.085 19974 4517 1 6 . 1 1 65 65 VAL N N 65 120.490 120.490 121.903 -1.413 19974 4518 1 6 . 1 1 65 65 VAL HA H 65 4.814 4.814 5.065 -0.251 19974 4519 1 6 . 1 1 65 65 VAL C C 65 172.610 172.610 173.956 -1.346 19974 4520 1 6 . 1 1 65 65 VAL CA C 65 60.890 60.890 61.061 -0.171 19974 4521 1 6 . 1 1 65 65 VAL CB C 65 35.570 35.570 35.891 -0.321 19974 4522 1 6 . 1 1 65 65 VAL H H 65 9.053 9.053 9.163 -0.110 19974 4523 1 6 . 1 1 66 66 LEU N N 66 127.740 127.740 128.249 -0.509 19974 4524 1 6 . 1 1 66 66 LEU HA H 66 5.097 5.097 5.239 -0.142 19974 4525 1 6 . 1 1 66 66 LEU C C 66 175.120 175.120 175.136 -0.016 19974 4526 1 6 . 1 1 66 66 LEU CA C 66 51.870 51.870 53.591 -1.721 19974 4527 1 6 . 1 1 66 66 LEU CB C 66 47.520 47.520 46.121 1.399 19974 4528 1 6 . 1 1 66 66 LEU H H 66 9.245 9.245 9.470 -0.225 19974 4529 1 6 . 1 1 67 67 ILE N N 67 126.030 126.030 128.261 -2.231 19974 4530 1 6 . 1 1 67 67 ILE HA H 67 4.484 4.484 4.626 -0.142 19974 4531 1 6 . 1 1 67 67 ILE C C 67 173.290 173.290 175.162 -1.872 19974 4532 1 6 . 1 1 67 67 ILE CA C 67 61.090 61.090 60.761 0.329 19974 4533 1 6 . 1 1 67 67 ILE CB C 67 37.480 37.480 37.408 0.072 19974 4534 1 6 . 1 1 67 67 ILE H H 67 8.974 8.974 9.139 -0.165 19974 4535 1 6 . 1 1 68 68 TYR N N 68 129.400 129.400 130.527 -1.127 19974 4536 1 6 . 1 1 68 68 TYR HA H 68 4.887 4.887 5.108 -0.221 19974 4537 1 6 . 1 1 68 68 TYR C C 68 174.140 174.140 174.084 0.056 19974 4538 1 6 . 1 1 68 68 TYR CA C 68 56.990 56.990 57.820 -0.830 19974 4539 1 6 . 1 1 68 68 TYR CB C 68 40.790 40.790 39.513 1.277 19974 4540 1 6 . 1 1 68 68 TYR H H 68 8.999 8.999 8.652 0.347 19974 4541 1 6 . 1 1 69 69 VAL N N 69 126.790 126.790 128.623 -1.833 19974 4542 1 6 . 1 1 69 69 VAL HA H 69 4.401 4.401 4.722 -0.321 19974 4543 1 6 . 1 1 69 69 VAL C C 69 172.350 172.350 173.691 -1.341 19974 4544 1 6 . 1 1 69 69 VAL CA C 69 60.810 60.810 60.471 0.339 19974 4545 1 6 . 1 1 69 69 VAL CB C 69 34.360 34.360 35.257 -0.897 19974 4546 1 6 . 1 1 69 69 VAL H H 69 8.378 8.378 8.876 -0.498 19974 4547 1 6 . 1 1 70 70 ALA N N 70 129.770 129.770 130.546 -0.776 19974 4548 1 6 . 1 1 70 70 ALA HA H 70 4.592 4.592 5.144 -0.552 19974 4549 1 6 . 1 1 70 70 ALA C C 70 177.620 177.620 177.305 0.315 19974 4550 1 6 . 1 1 70 70 ALA CA C 70 49.210 49.210 50.440 -1.230 19974 4551 1 6 . 1 1 70 70 ALA CB C 70 17.470 17.470 19.195 -1.725 19974 4552 1 6 . 1 1 70 70 ALA H H 70 8.078 8.078 9.062 -0.984 19974 4553 1 6 . 1 1 71 71 VAL N N 71 120.880 120.880 125.170 -4.290 19974 4554 1 6 . 1 1 71 71 VAL HA H 71 2.847 2.847 4.053 -1.206 19974 4555 1 6 . 1 1 71 71 VAL C C 71 178.310 178.310 176.809 1.501 19974 4556 1 6 . 1 1 71 71 VAL CA C 71 66.030 66.030 65.457 0.573 19974 4557 1 6 . 1 1 71 71 VAL CB C 71 32.110 32.110 32.203 -0.092 19974 4558 1 6 . 1 1 71 71 VAL H H 71 8.597 8.597 8.962 -0.365 19974 4559 1 6 . 1 1 72 72 GLU N N 72 119.350 119.350 119.668 -0.318 19974 4560 1 6 . 1 1 72 72 GLU HA H 72 3.955 3.955 4.248 -0.293 19974 4561 1 6 . 1 1 72 72 GLU C C 72 177.650 177.650 177.715 -0.065 19974 4562 1 6 . 1 1 72 72 GLU CA C 72 59.260 59.260 58.694 0.566 19974 4563 1 6 . 1 1 72 72 GLU CB C 72 28.940 28.940 29.726 -0.786 19974 4564 1 6 . 1 1 72 72 GLU H H 72 9.107 9.107 7.939 1.168 19974 4565 1 6 . 1 1 73 73 ASP N N 73 115.250 115.250 117.743 -2.493 19974 4566 1 6 . 1 1 73 73 ASP HA H 73 4.544 4.544 4.626 -0.082 19974 4567 1 6 . 1 1 73 73 ASP C C 73 175.460 175.460 176.521 -1.061 19974 4568 1 6 . 1 1 73 73 ASP CA C 73 54.030 54.030 54.162 -0.132 19974 4569 1 6 . 1 1 73 73 ASP CB C 73 41.350 41.350 41.452 -0.102 19974 4570 1 6 . 1 1 73 73 ASP H H 73 7.039 7.039 7.795 -0.756 19974 4571 1 6 . 1 1 74 74 LYS N N 74 115.850 115.850 116.532 -0.682 19974 4572 1 6 . 1 1 74 74 LYS HA H 74 3.502 3.502 4.340 -0.838 19974 4573 1 6 . 1 1 74 74 LYS C C 74 174.920 174.920 175.415 -0.495 19974 4574 1 6 . 1 1 74 74 LYS CA C 74 57.180 57.180 57.623 -0.443 19974 4575 1 6 . 1 1 74 74 LYS CB C 74 29.100 29.100 31.382 -2.282 19974 4576 1 6 . 1 1 74 74 LYS H H 74 8.012 8.012 8.598 -0.586 19974 4577 1 6 . 1 1 75 75 THR N N 75 111.710 111.710 110.628 1.082 19974 4578 1 6 . 1 1 75 75 THR HA H 75 4.725 4.725 4.767 -0.042 19974 4579 1 6 . 1 1 75 75 THR C C 75 172.150 172.150 173.130 -0.980 19974 4580 1 6 . 1 1 75 75 THR CA C 75 60.740 60.740 60.194 0.546 19974 4581 1 6 . 1 1 75 75 THR CB C 75 70.900 70.900 70.988 -0.088 19974 4582 1 6 . 1 1 75 75 THR H H 75 7.763 7.763 7.690 0.073 19974 4583 1 6 . 1 1 76 76 PHE N N 76 117.220 117.220 118.395 -1.175 19974 4584 1 6 . 1 1 76 76 PHE HA H 76 5.968 5.968 5.760 0.208 19974 4585 1 6 . 1 1 76 76 PHE C C 76 173.250 173.250 173.644 -0.394 19974 4586 1 6 . 1 1 76 76 PHE CA C 76 54.920 54.920 54.888 0.032 19974 4587 1 6 . 1 1 76 76 PHE CB C 76 42.780 42.780 41.728 1.052 19974 4588 1 6 . 1 1 76 76 PHE H H 76 7.992 7.992 7.873 0.119 19974 4589 1 6 . 1 1 77 77 VAL N N 77 120.030 120.030 121.042 -1.012 19974 4590 1 6 . 1 1 77 77 VAL HA H 77 4.015 4.015 4.471 -0.456 19974 4591 1 6 . 1 1 77 77 VAL C C 77 173.310 173.310 174.585 -1.275 19974 4592 1 6 . 1 1 77 77 VAL CA C 77 60.840 60.840 60.939 -0.099 19974 4593 1 6 . 1 1 77 77 VAL CB C 77 37.410 37.410 35.876 1.534 19974 4594 1 6 . 1 1 77 77 VAL H H 77 9.447 9.447 9.248 0.199 19974 4595 1 6 . 1 1 78 78 ILE N N 78 125.240 125.240 124.985 0.255 19974 4596 1 6 . 1 1 78 78 ILE HA H 78 4.433 4.433 4.431 0.002 19974 4597 1 6 . 1 1 78 78 ILE C C 78 174.090 174.090 174.778 -0.688 19974 4598 1 6 . 1 1 78 78 ILE CA C 78 60.081 60.081 60.438 -0.357 19974 4599 1 6 . 1 1 78 78 ILE CB C 78 38.340 38.340 39.144 -0.804 19974 4600 1 6 . 1 1 78 78 ILE H H 78 8.155 8.155 8.391 -0.236 19974 4601 1 6 . 1 1 79 79 TYR N N 79 130.130 130.130 127.828 2.302 19974 4602 1 6 . 1 1 79 79 TYR HA H 79 4.422 4.422 5.108 -0.686 19974 4603 1 6 . 1 1 79 79 TYR C C 79 172.740 172.740 173.769 -1.029 19974 4604 1 6 . 1 1 79 79 TYR CA C 79 57.390 57.390 57.291 0.099 19974 4605 1 6 . 1 1 79 79 TYR CB C 79 40.820 40.820 42.888 -2.068 19974 4606 1 6 . 1 1 79 79 TYR H H 79 9.328 9.328 8.650 0.678 19974 4607 1 6 . 1 1 80 80 GLY N N 80 114.140 114.140 112.754 1.386 19974 4608 1 6 . 1 1 80 80 GLY C C 80 171.090 171.090 172.584 -1.494 19974 4609 1 6 . 1 1 80 80 GLY CA C 80 42.860 42.860 43.940 -1.080 19974 4610 1 6 . 1 1 80 80 GLY H H 80 7.837 7.837 7.913 -0.076 19974 4611 1 6 . 1 1 81 81 ASP N N 81 115.660 115.660 120.968 -5.308 19974 4612 1 6 . 1 1 81 81 ASP HA H 81 4.248 4.248 4.406 -0.158 19974 4613 1 6 . 1 1 81 81 ASP C C 81 176.980 176.980 177.684 -0.704 19974 4614 1 6 . 1 1 81 81 ASP CA C 81 51.950 51.950 54.502 -2.552 19974 4615 1 6 . 1 1 81 81 ASP CB C 81 41.260 41.260 42.613 -1.353 19974 4616 1 6 . 1 1 81 81 ASP H H 81 7.633 7.633 8.597 -0.964 19974 4617 1 6 . 1 1 82 82 LYS N N 82 120.470 120.470 121.592 -1.122 19974 4618 1 6 . 1 1 82 82 LYS HA H 82 3.764 3.764 3.927 -0.163 19974 4619 1 6 . 1 1 82 82 LYS C C 82 176.350 176.350 178.816 -2.466 19974 4620 1 6 . 1 1 82 82 LYS CA C 82 59.290 59.290 60.020 -0.730 19974 4621 1 6 . 1 1 82 82 LYS CB C 82 33.720 33.720 32.346 1.374 19974 4622 1 6 . 1 1 82 82 LYS H H 82 9.212 9.212 8.916 0.296 19974 4623 1 6 . 1 1 83 83 GLY N N 83 105.260 105.260 106.471 -1.211 19974 4624 1 6 . 1 1 83 83 GLY C C 83 176.540 176.540 175.272 1.268 19974 4625 1 6 . 1 1 83 83 GLY CA C 83 46.260 46.260 46.546 -0.286 19974 4626 1 6 . 1 1 83 83 GLY H H 83 8.367 8.367 8.008 0.359 19974 4627 1 6 . 1 1 84 84 ILE N N 84 117.510 117.510 122.122 -4.612 19974 4628 1 6 . 1 1 84 84 ILE HA H 84 3.644 3.644 3.698 -0.054 19974 4629 1 6 . 1 1 84 84 ILE C C 84 177.010 177.010 177.615 -0.605 19974 4630 1 6 . 1 1 84 84 ILE CA C 84 63.636 63.636 64.850 -1.214 19974 4631 1 6 . 1 1 84 84 ILE CB C 84 38.820 38.820 38.082 0.738 19974 4632 1 6 . 1 1 84 84 ILE H H 84 7.040 7.040 7.402 -0.362 19974 4633 1 6 . 1 1 85 85 ASN N N 85 117.400 117.400 117.633 -0.233 19974 4634 1 6 . 1 1 85 85 ASN HA H 85 4.115 4.115 4.346 -0.231 19974 4635 1 6 . 1 1 85 85 ASN C C 85 176.600 176.600 176.602 -0.002 19974 4636 1 6 . 1 1 85 85 ASN CA C 85 55.840 55.840 55.523 0.317 19974 4637 1 6 . 1 1 85 85 ASN CB C 85 37.720 37.720 38.005 -0.285 19974 4638 1 6 . 1 1 85 85 ASN H H 85 7.351 7.351 8.129 -0.778 19974 4639 1 6 . 1 1 86 86 ASP N N 86 115.890 115.890 118.072 -2.182 19974 4640 1 6 . 1 1 86 86 ASP HA H 86 4.391 4.391 4.559 -0.169 19974 4641 1 6 . 1 1 86 86 ASP C C 86 177.240 177.240 177.834 -0.594 19974 4642 1 6 . 1 1 86 86 ASP CA C 86 56.260 56.260 55.558 0.702 19974 4643 1 6 . 1 1 86 86 ASP CB C 86 41.200 41.200 41.414 -0.214 19974 4644 1 6 . 1 1 86 86 ASP H H 86 8.377 8.377 7.910 0.467 19974 4645 1 6 . 1 1 87 87 VAL N N 87 109.640 109.640 112.801 -3.161 19974 4646 1 6 . 1 1 87 87 VAL HA H 87 4.473 4.473 4.424 0.049 19974 4647 1 6 . 1 1 87 87 VAL C C 87 175.780 175.780 175.406 0.374 19974 4648 1 6 . 1 1 87 87 VAL CA C 87 61.320 61.320 62.791 -1.471 19974 4649 1 6 . 1 1 87 87 VAL CB C 87 34.170 34.170 33.999 0.171 19974 4650 1 6 . 1 1 87 87 VAL H H 87 7.196 7.196 7.589 -0.393 19974 4651 1 6 . 1 1 88 88 VAL N N 88 113.200 113.200 114.454 -1.254 19974 4652 1 6 . 1 1 88 88 VAL HA H 88 3.789 3.789 4.201 -0.412 19974 4653 1 6 . 1 1 88 88 VAL C C 88 175.760 175.760 175.029 0.731 19974 4654 1 6 . 1 1 88 88 VAL CA C 88 60.640 60.640 59.841 0.799 19974 4655 1 6 . 1 1 88 88 VAL CB C 88 32.970 32.970 33.558 -0.588 19974 4656 1 6 . 1 1 88 88 VAL H H 88 6.921 6.921 7.799 -0.878 19974 4657 1 6 . 1 1 89 89 SER N N 89 114.460 114.460 118.185 -3.725 19974 4658 1 6 . 1 1 89 89 SER HA H 89 4.546 4.546 4.618 -0.072 19974 4659 1 6 . 1 1 89 89 SER C C 89 175.720 175.720 175.399 0.321 19974 4660 1 6 . 1 1 89 89 SER CA C 89 57.330 57.330 57.117 0.213 19974 4661 1 6 . 1 1 89 89 SER CB C 89 64.500 64.500 65.070 -0.571 19974 4662 1 6 . 1 1 89 89 SER H H 89 7.738 7.738 8.737 -0.999 19974 4663 1 6 . 1 1 90 90 ASP N N 90 120.250 120.250 120.880 -0.630 19974 4664 1 6 . 1 1 90 90 ASP HA H 90 4.361 4.361 4.376 -0.015 19974 4665 1 6 . 1 1 90 90 ASP C C 90 176.630 176.630 177.853 -1.223 19974 4666 1 6 . 1 1 90 90 ASP CA C 90 57.050 57.050 57.189 -0.139 19974 4667 1 6 . 1 1 90 90 ASP CB C 90 40.540 40.540 40.283 0.257 19974 4668 1 6 . 1 1 90 90 ASP H H 90 8.687 8.687 8.859 -0.172 19974 4669 1 6 . 1 1 91 91 ASP N N 91 116.800 116.800 119.693 -2.893 19974 4670 1 6 . 1 1 91 91 ASP HA H 91 4.605 4.605 4.540 0.065 19974 4671 1 6 . 1 1 91 91 ASP C C 91 177.610 177.610 178.069 -0.459 19974 4672 1 6 . 1 1 91 91 ASP CA C 91 52.890 52.890 56.350 -3.460 19974 4673 1 6 . 1 1 91 91 ASP CB C 91 40.230 40.230 40.859 -0.629 19974 4674 1 6 . 1 1 91 91 ASP H H 91 8.250 8.250 8.238 0.012 19974 4675 1 6 . 1 1 92 92 PHE N N 92 122.130 122.130 120.788 1.342 19974 4676 1 6 . 1 1 92 92 PHE HA H 92 3.857 3.857 4.413 -0.556 19974 4677 1 6 . 1 1 92 92 PHE C C 92 177.040 177.040 176.774 0.266 19974 4678 1 6 . 1 1 92 92 PHE CA C 92 61.910 61.910 60.483 1.427 19974 4679 1 6 . 1 1 92 92 PHE CB C 92 40.696 40.696 39.594 1.102 19974 4680 1 6 . 1 1 92 92 PHE H H 92 7.564 7.564 7.589 -0.025 19974 4681 1 6 . 1 1 93 93 TRP N N 93 113.980 113.980 119.624 -5.644 19974 4682 1 6 . 1 1 93 93 TRP HA H 93 4.726 4.726 4.648 0.078 19974 4683 1 6 . 1 1 93 93 TRP C C 93 176.420 176.420 178.059 -1.639 19974 4684 1 6 . 1 1 93 93 TRP CA C 93 56.020 56.020 59.238 -3.218 19974 4685 1 6 . 1 1 93 93 TRP CB C 93 29.990 29.990 29.522 0.468 19974 4686 1 6 . 1 1 93 93 TRP H H 93 8.532 8.532 7.786 0.746 19974 4687 1 6 . 1 1 94 94 ASP N N 94 122.120 122.120 119.964 2.156 19974 4688 1 6 . 1 1 94 94 ASP HA H 94 4.228 4.228 4.352 -0.124 19974 4689 1 6 . 1 1 94 94 ASP C C 94 178.550 178.550 177.964 0.586 19974 4690 1 6 . 1 1 94 94 ASP CA C 94 59.120 59.120 57.950 1.170 19974 4691 1 6 . 1 1 94 94 ASP CB C 94 39.140 39.140 40.805 -1.665 19974 4692 1 6 . 1 1 94 94 ASP H H 94 7.904 7.904 8.480 -0.576 19974 4693 1 6 . 1 1 95 95 THR N N 95 111.200 111.200 111.107 0.093 19974 4694 1 6 . 1 1 95 95 THR HA H 95 4.004 4.004 3.934 0.070 19974 4695 1 6 . 1 1 95 95 THR C C 95 177.630 177.630 176.706 0.924 19974 4696 1 6 . 1 1 95 95 THR CA C 95 65.560 65.560 66.036 -0.476 19974 4697 1 6 . 1 1 95 95 THR CB C 95 68.230 68.230 68.379 -0.149 19974 4698 1 6 . 1 1 95 95 THR H H 95 8.559 8.559 8.012 0.547 19974 4699 1 6 . 1 1 96 96 THR N N 96 123.230 123.230 118.719 4.511 19974 4700 1 6 . 1 1 96 96 THR HA H 96 3.725 3.725 3.837 -0.112 19974 4701 1 6 . 1 1 96 96 THR C C 96 175.410 175.410 176.504 -1.094 19974 4702 1 6 . 1 1 96 96 THR CA C 96 68.286 68.286 66.342 1.944 19974 4703 1 6 . 1 1 96 96 THR CB C 96 68.200 68.200 68.368 -0.168 19974 4704 1 6 . 1 1 96 96 THR H H 96 7.991 7.991 7.384 0.607 19974 4705 1 6 . 1 1 97 97 ARG N N 97 119.960 119.960 121.381 -1.421 19974 4706 1 6 . 1 1 97 97 ARG HA H 97 3.829 3.829 3.958 -0.129 19974 4707 1 6 . 1 1 97 97 ARG C C 97 178.320 178.320 178.803 -0.483 19974 4708 1 6 . 1 1 97 97 ARG CA C 97 60.390 60.390 59.846 0.544 19974 4709 1 6 . 1 1 97 97 ARG CB C 97 29.870 29.870 30.160 -0.290 19974 4710 1 6 . 1 1 97 97 ARG H H 97 8.825 8.825 7.691 1.134 19974 4711 1 6 . 1 1 98 98 ASN N N 98 115.680 115.680 117.582 -1.902 19974 4712 1 6 . 1 1 98 98 ASN HA H 98 4.390 4.390 4.468 -0.078 19974 4713 1 6 . 1 1 98 98 ASN C C 98 176.620 176.620 177.406 -0.786 19974 4714 1 6 . 1 1 98 98 ASN CA C 98 56.050 56.050 55.793 0.257 19974 4715 1 6 . 1 1 98 98 ASN CB C 98 38.220 38.220 37.796 0.424 19974 4716 1 6 . 1 1 98 98 ASN H H 98 8.508 8.508 8.432 0.076 19974 4717 1 6 . 1 1 99 99 ALA N N 99 120.830 120.830 123.082 -2.252 19974 4718 1 6 . 1 1 99 99 ALA HA H 99 4.020 4.020 4.022 -0.002 19974 4719 1 6 . 1 1 99 99 ALA C C 99 179.800 179.800 179.266 0.534 19974 4720 1 6 . 1 1 99 99 ALA CA C 99 54.770 54.770 54.952 -0.182 19974 4721 1 6 . 1 1 99 99 ALA CB C 99 18.110 18.110 18.629 -0.519 19974 4722 1 6 . 1 1 99 99 ALA H H 99 7.447 7.447 7.706 -0.259 19974 4723 1 6 . 1 1 100 100 ILE N N 100 116.240 116.240 119.456 -3.216 19974 4724 1 6 . 1 1 100 100 ILE HA H 100 3.203 3.203 3.549 -0.346 19974 4725 1 6 . 1 1 100 100 ILE C C 100 178.050 178.050 177.568 0.482 19974 4726 1 6 . 1 1 100 100 ILE CA C 100 64.550 64.550 65.161 -0.611 19974 4727 1 6 . 1 1 100 100 ILE CB C 100 37.640 37.640 37.428 0.212 19974 4728 1 6 . 1 1 100 100 ILE H H 100 7.339 7.339 7.676 -0.337 19974 4729 1 6 . 1 1 101 101 GLN N N 101 118.750 118.750 119.169 -0.419 19974 4730 1 6 . 1 1 101 101 GLN HA H 101 3.917 3.917 3.765 0.152 19974 4731 1 6 . 1 1 101 101 GLN C C 101 177.870 177.870 178.412 -0.542 19974 4732 1 6 . 1 1 101 101 GLN CA C 101 59.200 59.200 59.029 0.171 19974 4733 1 6 . 1 1 101 101 GLN CB C 101 28.860 28.860 28.826 0.034 19974 4734 1 6 . 1 1 101 101 GLN H H 101 8.359 8.359 8.193 0.166 19974 4735 1 6 . 1 1 102 102 LEU N N 102 117.790 117.790 120.363 -2.573 19974 4736 1 6 . 1 1 102 102 LEU HA H 102 3.951 3.951 4.073 -0.122 19974 4737 1 6 . 1 1 102 102 LEU C C 102 179.550 179.550 178.708 0.842 19974 4738 1 6 . 1 1 102 102 LEU CA C 102 58.190 58.190 58.574 -0.384 19974 4739 1 6 . 1 1 102 102 LEU CB C 102 42.320 42.320 41.674 0.646 19974 4740 1 6 . 1 1 102 102 LEU H H 102 8.119 8.119 7.636 0.483 19974 4741 1 6 . 1 1 103 103 GLN N N 103 113.650 113.650 118.120 -4.470 19974 4742 1 6 . 1 1 103 103 GLN HA H 103 4.426 4.426 4.340 0.086 19974 4743 1 6 . 1 1 103 103 GLN C C 103 179.680 179.680 179.162 0.518 19974 4744 1 6 . 1 1 103 103 GLN CA C 103 56.550 56.550 58.216 -1.666 19974 4745 1 6 . 1 1 103 103 GLN CB C 103 27.480 27.480 28.223 -0.743 19974 4746 1 6 . 1 1 103 103 GLN H H 103 6.636 6.636 7.695 -1.059 19974 4747 1 6 . 1 1 104 104 PHE N N 104 123.740 123.740 120.166 3.574 19974 4748 1 6 . 1 1 104 104 PHE HA H 104 3.895 3.895 4.065 -0.170 19974 4749 1 6 . 1 1 104 104 PHE C C 104 180.130 180.130 178.636 1.494 19974 4750 1 6 . 1 1 104 104 PHE CA C 104 59.760 59.760 61.462 -1.702 19974 4751 1 6 . 1 1 104 104 PHE CB C 104 36.620 36.620 38.507 -1.887 19974 4752 1 6 . 1 1 104 104 PHE H H 104 9.161 9.161 8.905 0.256 19974 4753 1 6 . 1 1 105 105 LYS N N 105 119.280 119.280 119.857 -0.577 19974 4754 1 6 . 1 1 105 105 LYS HA H 105 4.126 4.126 4.044 0.082 19974 4755 1 6 . 1 1 105 105 LYS C C 105 177.290 177.290 179.255 -1.965 19974 4756 1 6 . 1 1 105 105 LYS CA C 105 58.913 58.913 59.474 -0.562 19974 4757 1 6 . 1 1 105 105 LYS CB C 105 31.920 31.920 32.283 -0.363 19974 4758 1 6 . 1 1 105 105 LYS H H 105 8.519 8.519 8.166 0.353 19974 4759 1 6 . 1 1 106 106 GLN N N 106 114.530 114.530 116.706 -2.176 19974 4760 1 6 . 1 1 106 106 GLN HA H 106 4.415 4.415 4.171 0.244 19974 4761 1 6 . 1 1 106 106 GLN C C 106 175.450 175.450 176.651 -1.201 19974 4762 1 6 . 1 1 106 106 GLN CA C 106 54.850 54.850 57.282 -2.432 19974 4763 1 6 . 1 1 106 106 GLN CB C 106 30.010 30.010 29.036 0.974 19974 4764 1 6 . 1 1 106 106 GLN H H 106 6.934 6.934 7.899 -0.965 19974 4765 1 6 . 1 1 107 107 GLY N N 107 106.800 106.800 106.310 0.490 19974 4766 1 6 . 1 1 107 107 GLY C C 107 173.140 173.140 174.739 -1.599 19974 4767 1 6 . 1 1 107 107 GLY CA C 107 44.930 44.930 44.976 -0.046 19974 4768 1 6 . 1 1 107 107 GLY H H 107 7.722 7.722 7.927 -0.205 19974 4769 1 6 . 1 1 108 108 ASN N N 108 120.230 120.230 121.024 -0.794 19974 4770 1 6 . 1 1 108 108 ASN HA H 108 4.827 4.827 5.037 -0.210 19974 4771 1 6 . 1 1 108 108 ASN C C 108 174.820 174.820 174.700 0.120 19974 4772 1 6 . 1 1 108 108 ASN CA C 108 50.520 50.520 51.033 -0.513 19974 4773 1 6 . 1 1 108 108 ASN CB C 108 37.090 37.090 36.956 0.134 19974 4774 1 6 . 1 1 108 108 ASN H H 108 7.654 7.654 8.226 -0.572 19974 4775 1 6 . 1 1 109 109 PHE N N 109 122.130 122.130 122.725 -0.595 19974 4776 1 6 . 1 1 109 109 PHE HA H 109 4.038 4.038 3.368 0.670 19974 4777 1 6 . 1 1 109 109 PHE C C 109 177.270 177.270 177.367 -0.097 19974 4778 1 6 . 1 1 109 109 PHE CA C 109 60.670 60.670 61.344 -0.674 19974 4779 1 6 . 1 1 109 109 PHE CB C 109 38.220 38.220 38.410 -0.190 19974 4780 1 6 . 1 1 109 109 PHE H H 109 7.231 7.231 7.745 -0.514 19974 4781 1 6 . 1 1 110 110 LYS N N 110 118.670 118.670 119.692 -1.022 19974 4782 1 6 . 1 1 110 110 LYS HA H 110 3.610 3.610 3.728 -0.118 19974 4783 1 6 . 1 1 110 110 LYS C C 110 177.680 177.680 178.513 -0.833 19974 4784 1 6 . 1 1 110 110 LYS CA C 110 60.050 60.050 60.491 -0.441 19974 4785 1 6 . 1 1 110 110 LYS CB C 110 29.680 29.680 31.947 -2.267 19974 4786 1 6 . 1 1 110 110 LYS H H 110 8.727 8.727 8.511 0.216 19974 4787 1 6 . 1 1 111 111 GLN N N 111 117.980 117.980 117.337 0.643 19974 4788 1 6 . 1 1 111 111 GLN HA H 111 3.491 3.491 4.060 -0.569 19974 4789 1 6 . 1 1 111 111 GLN C C 111 177.640 177.640 178.715 -1.075 19974 4790 1 6 . 1 1 111 111 GLN CA C 111 57.530 57.530 58.923 -1.393 19974 4791 1 6 . 1 1 111 111 GLN CB C 111 28.460 28.460 28.259 0.201 19974 4792 1 6 . 1 1 111 111 GLN H H 111 8.442 8.442 8.162 0.280 19974 4793 1 6 . 1 1 112 112 GLY N N 112 103.740 103.740 108.543 -4.803 19974 4794 1 6 . 1 1 112 112 GLY C C 112 173.970 173.970 176.025 -2.055 19974 4795 1 6 . 1 1 112 112 GLY CA C 112 48.730 48.730 46.946 1.784 19974 4796 1 6 . 1 1 112 112 GLY H H 112 8.196 8.196 8.152 0.044 19974 4797 1 6 . 1 1 113 113 LEU N N 113 119.640 119.640 122.873 -3.233 19974 4798 1 6 . 1 1 113 113 LEU HA H 113 3.868 3.868 3.997 -0.129 19974 4799 1 6 . 1 1 113 113 LEU C C 113 177.480 177.480 178.898 -1.418 19974 4800 1 6 . 1 1 113 113 LEU CA C 113 58.150 58.150 57.734 0.416 19974 4801 1 6 . 1 1 113 113 LEU CB C 113 41.920 41.920 42.025 -0.105 19974 4802 1 6 . 1 1 113 113 LEU H H 113 7.614 7.614 8.055 -0.441 19974 4803 1 6 . 1 1 114 114 VAL N N 114 118.510 118.510 120.696 -2.186 19974 4804 1 6 . 1 1 114 114 VAL HA H 114 3.269 3.269 3.503 -0.234 19974 4805 1 6 . 1 1 114 114 VAL C C 114 177.330 177.330 177.926 -0.596 19974 4806 1 6 . 1 1 114 114 VAL CA C 114 67.787 67.787 67.373 0.414 19974 4807 1 6 . 1 1 114 114 VAL CB C 114 31.600 31.600 31.552 0.049 19974 4808 1 6 . 1 1 114 114 VAL H H 114 8.284 8.284 8.679 -0.395 19974 4809 1 6 . 1 1 115 115 ASP N N 115 119.440 119.440 118.994 0.446 19974 4810 1 6 . 1 1 115 115 ASP HA H 115 4.261 4.261 4.478 -0.217 19974 4811 1 6 . 1 1 115 115 ASP C C 115 179.840 179.840 178.978 0.862 19974 4812 1 6 . 1 1 115 115 ASP CA C 115 56.950 56.950 57.041 -0.091 19974 4813 1 6 . 1 1 115 115 ASP CB C 115 39.840 39.840 39.949 -0.109 19974 4814 1 6 . 1 1 115 115 ASP H H 115 8.724 8.724 8.440 0.284 19974 4815 1 6 . 1 1 116 116 GLY N N 116 107.280 107.280 108.957 -1.677 19974 4816 1 6 . 1 1 116 116 GLY C C 116 174.130 174.130 176.043 -1.913 19974 4817 1 6 . 1 1 116 116 GLY CA C 116 47.190 47.190 46.867 0.323 19974 4818 1 6 . 1 1 116 116 GLY H H 116 8.370 8.370 7.767 0.603 19974 4819 1 6 . 1 1 117 117 ILE N N 117 123.350 123.350 122.731 0.619 19974 4820 1 6 . 1 1 117 117 ILE HA H 117 3.307 3.307 3.569 -0.262 19974 4821 1 6 . 1 1 117 117 ILE C C 117 176.750 176.750 177.821 -1.071 19974 4822 1 6 . 1 1 117 117 ILE CA C 117 66.168 66.168 65.568 0.600 19974 4823 1 6 . 1 1 117 117 ILE CB C 117 37.760 37.760 37.833 -0.073 19974 4824 1 6 . 1 1 117 117 ILE H H 117 8.573 8.573 8.352 0.221 19974 4825 1 6 . 1 1 118 118 GLU N N 118 119.220 119.220 119.531 -0.311 19974 4826 1 6 . 1 1 118 118 GLU HA H 118 4.003 4.003 3.915 0.088 19974 4827 1 6 . 1 1 118 118 GLU C C 118 180.600 180.600 179.353 1.247 19974 4828 1 6 . 1 1 118 118 GLU CA C 118 59.472 59.472 59.813 -0.341 19974 4829 1 6 . 1 1 118 118 GLU CB C 118 29.310 29.310 29.053 0.257 19974 4830 1 6 . 1 1 118 118 GLU H H 118 7.998 7.998 8.396 -0.398 19974 4831 1 6 . 1 1 119 119 LYS N N 119 118.270 118.270 119.030 -0.760 19974 4832 1 6 . 1 1 119 119 LYS HA H 119 3.897 3.897 4.093 -0.196 19974 4833 1 6 . 1 1 119 119 LYS C C 119 179.040 179.040 178.849 0.191 19974 4834 1 6 . 1 1 119 119 LYS CA C 119 58.090 58.090 58.990 -0.901 19974 4835 1 6 . 1 1 119 119 LYS CB C 119 31.340 31.340 32.238 -0.898 19974 4836 1 6 . 1 1 119 119 LYS H H 119 7.846 7.846 7.764 0.082 19974 4837 1 6 . 1 1 120 120 ALA N N 120 125.280 125.280 122.594 2.686 19974 4838 1 6 . 1 1 120 120 ALA HA H 120 4.195 4.195 3.956 0.239 19974 4839 1 6 . 1 1 120 120 ALA C C 120 180.230 180.230 179.270 0.960 19974 4840 1 6 . 1 1 120 120 ALA CA C 120 55.040 55.040 54.998 0.042 19974 4841 1 6 . 1 1 120 120 ALA CB C 120 17.380 17.380 18.199 -0.819 19974 4842 1 6 . 1 1 120 120 ALA H H 120 9.092 9.092 7.630 1.462 19974 4843 1 6 . 1 1 121 121 GLY N N 121 104.130 104.130 107.045 -2.915 19974 4844 1 6 . 1 1 121 121 GLY C C 121 174.930 174.930 176.015 -1.085 19974 4845 1 6 . 1 1 121 121 GLY CA C 121 47.590 47.590 46.891 0.699 19974 4846 1 6 . 1 1 121 121 GLY H H 121 8.606 8.606 8.594 0.012 19974 4847 1 6 . 1 1 122 122 MET N N 122 117.000 117.000 122.220 -5.220 19974 4848 1 6 . 1 1 122 122 MET HA H 122 4.183 4.183 4.031 0.152 19974 4849 1 6 . 1 1 122 122 MET C C 122 178.500 178.500 177.904 0.596 19974 4850 1 6 . 1 1 122 122 MET CA C 122 57.470 57.470 58.863 -1.393 19974 4851 1 6 . 1 1 122 122 MET CB C 122 32.200 32.200 32.742 -0.542 19974 4852 1 6 . 1 1 122 122 MET H H 122 7.284 7.284 7.973 -0.689 19974 4853 1 6 . 1 1 123 123 ALA N N 123 124.060 124.060 121.257 2.803 19974 4854 1 6 . 1 1 123 123 ALA HA H 123 4.076 4.076 4.289 -0.213 19974 4855 1 6 . 1 1 123 123 ALA C C 123 180.880 180.880 180.616 0.264 19974 4856 1 6 . 1 1 123 123 ALA CA C 123 54.760 54.760 54.764 -0.004 19974 4857 1 6 . 1 1 123 123 ALA CB C 123 17.590 17.590 18.503 -0.913 19974 4858 1 6 . 1 1 123 123 ALA H H 123 8.308 8.308 8.099 0.209 19974 4859 1 6 . 1 1 124 124 LEU N N 124 117.060 117.060 120.099 -3.039 19974 4860 1 6 . 1 1 124 124 LEU HA H 124 4.270 4.270 4.297 -0.027 19974 4861 1 6 . 1 1 124 124 LEU C C 124 179.170 179.170 178.885 0.285 19974 4862 1 6 . 1 1 124 124 LEU CA C 124 57.840 57.840 57.808 0.032 19974 4863 1 6 . 1 1 124 124 LEU CB C 124 42.920 42.920 41.871 1.049 19974 4864 1 6 . 1 1 124 124 LEU H H 124 8.871 8.871 8.891 -0.020 19974 4865 1 6 . 1 1 125 125 ALA N N 125 120.950 120.950 120.137 0.813 19974 4866 1 6 . 1 1 125 125 ALA HA H 125 3.956 3.956 4.503 -0.547 19974 4867 1 6 . 1 1 125 125 ALA C C 125 177.740 177.740 178.924 -1.184 19974 4868 1 6 . 1 1 125 125 ALA CA C 125 55.220 55.220 54.334 0.886 19974 4869 1 6 . 1 1 125 125 ALA CB C 125 19.180 19.180 18.382 0.798 19974 4870 1 6 . 1 1 125 125 ALA H H 125 7.829 7.829 8.192 -0.363 19974 4871 1 6 . 1 1 126 126 LYS N N 126 113.320 113.320 118.721 -5.401 19974 4872 1 6 . 1 1 126 126 LYS HA H 126 3.798 3.798 4.065 -0.267 19974 4873 1 6 . 1 1 126 126 LYS C C 126 176.550 176.550 177.969 -1.419 19974 4874 1 6 . 1 1 126 126 LYS CA C 126 58.490 58.490 58.840 -0.350 19974 4875 1 6 . 1 1 126 126 LYS CB C 126 32.620 32.620 32.622 -0.002 19974 4876 1 6 . 1 1 126 126 LYS H H 126 6.971 6.971 7.697 -0.726 19974 4877 1 6 . 1 1 127 127 TYR N N 127 113.850 113.850 116.086 -2.236 19974 4878 1 6 . 1 1 127 127 TYR HA H 127 4.067 4.067 4.131 -0.064 19974 4879 1 6 . 1 1 127 127 TYR C C 127 174.390 174.390 176.181 -1.791 19974 4880 1 6 . 1 1 127 127 TYR CA C 127 58.770 58.770 60.224 -1.454 19974 4881 1 6 . 1 1 127 127 TYR CB C 127 41.930 41.930 39.372 2.558 19974 4882 1 6 . 1 1 127 127 TYR H H 127 6.817 6.817 7.611 -0.794 19974 4883 1 6 . 1 1 128 128 PHE N N 128 116.130 116.130 116.561 -0.431 19974 4884 1 6 . 1 1 128 128 PHE HA H 128 4.907 4.907 5.078 -0.171 19974 4885 1 6 . 1 1 128 128 PHE C C 128 172.450 172.450 173.484 -1.034 19974 4886 1 6 . 1 1 128 128 PHE CA C 128 55.003 55.003 54.866 0.137 19974 4887 1 6 . 1 1 128 128 PHE CB C 128 38.550 38.550 39.430 -0.880 19974 4888 1 6 . 1 1 128 128 PHE H H 128 8.688 8.688 8.612 0.076 19974 4889 1 6 . 1 1 129 129 PRO HA H 129 4.680 4.680 4.589 0.091 19974 4890 1 6 . 1 1 129 129 PRO C C 129 175.720 175.720 176.335 -0.615 19974 4891 1 6 . 1 1 129 129 PRO CA C 129 63.382 63.382 62.592 0.790 19974 4892 1 6 . 1 1 129 129 PRO CB C 129 31.810 31.810 32.471 -0.661 19974 4893 1 6 . 1 1 130 130 TRP N N 130 123.170 123.170 124.425 -1.255 19974 4894 1 6 . 1 1 130 130 TRP HA H 130 4.031 4.031 4.541 -0.510 19974 4895 1 6 . 1 1 130 130 TRP C C 130 175.310 175.310 175.622 -0.312 19974 4896 1 6 . 1 1 130 130 TRP CA C 130 59.510 59.510 59.011 0.499 19974 4897 1 6 . 1 1 130 130 TRP CB C 130 29.300 29.300 29.985 -0.685 19974 4898 1 6 . 1 1 130 130 TRP H H 130 7.910 7.910 8.474 -0.564 19974 4899 1 6 . 1 1 131 131 LYS N N 131 127.060 127.060 125.356 1.704 19974 4900 1 6 . 1 1 131 131 LYS HA H 131 4.260 4.260 4.265 -0.005 19974 4901 1 6 . 1 1 131 131 LYS C C 131 174.450 174.450 175.451 -1.001 19974 4902 1 6 . 1 1 131 131 LYS CA C 131 53.240 53.240 54.463 -1.223 19974 4903 1 6 . 1 1 131 131 LYS CB C 131 35.250 35.250 35.006 0.244 19974 4904 1 6 . 1 1 131 131 LYS H H 131 8.097 8.097 7.108 0.989 19974 4905 1 6 . 1 1 132 132 LYS N N 132 116.250 116.250 121.927 -5.677 19974 4906 1 6 . 1 1 132 132 LYS HA H 132 3.398 3.398 3.575 -0.177 19974 4907 1 6 . 1 1 132 132 LYS C C 132 176.550 176.550 176.000 0.550 19974 4908 1 6 . 1 1 132 132 LYS CA C 132 58.140 58.140 58.191 -0.051 19974 4909 1 6 . 1 1 132 132 LYS CB C 132 31.880 31.880 32.489 -0.609 19974 4910 1 6 . 1 1 132 132 LYS H H 132 7.761 7.761 8.274 -0.513 19974 4911 1 6 . 1 1 133 133 ASP N N 133 116.600 116.600 118.581 -1.981 19974 4912 1 6 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.583 -0.232 19974 4913 1 6 . 1 1 133 133 ASP C C 133 175.320 175.320 175.230 0.090 19974 4914 1 6 . 1 1 133 133 ASP CA C 133 52.520 52.520 53.597 -1.077 19974 4915 1 6 . 1 1 133 133 ASP CB C 133 38.720 38.720 40.337 -1.617 19974 4916 1 6 . 1 1 133 133 ASP H H 133 7.633 7.633 7.957 -0.324 19974 4917 1 6 . 1 1 134 134 ASP N N 134 119.140 119.140 120.693 -1.553 19974 4918 1 6 . 1 1 134 134 ASP HA H 134 3.989 3.989 4.328 -0.339 19974 4919 1 6 . 1 1 134 134 ASP C C 134 175.500 175.500 175.588 -0.088 19974 4920 1 6 . 1 1 134 134 ASP CA C 134 56.410 56.410 55.389 1.021 19974 4921 1 6 . 1 1 134 134 ASP CB C 134 42.740 42.740 41.276 1.464 19974 4922 1 6 . 1 1 134 134 ASP H H 134 7.251 7.251 7.265 -0.014 19974 4923 1 6 . 1 1 135 135 ILE N N 135 123.230 123.230 119.403 3.827 19974 4924 1 6 . 1 1 135 135 ILE HA H 135 4.301 4.301 4.544 -0.243 19974 4925 1 6 . 1 1 135 135 ILE C C 135 176.300 176.300 174.691 1.609 19974 4926 1 6 . 1 1 135 135 ILE CA C 135 58.640 58.640 58.512 0.128 19974 4927 1 6 . 1 1 135 135 ILE CB C 135 40.800 40.800 40.412 0.388 19974 4928 1 6 . 1 1 135 135 ILE H H 135 8.351 8.351 7.948 0.403 19974 4929 1 6 . 1 1 136 136 ASP N N 136 131.670 131.670 120.947 10.723 19974 4930 1 6 . 1 1 136 136 ASP HA H 136 5.640 5.640 5.009 0.631 19974 4931 1 6 . 1 1 136 136 ASP C C 136 176.150 176.150 175.254 0.896 19974 4932 1 6 . 1 1 136 136 ASP CA C 136 52.560 52.560 53.236 -0.676 19974 4933 1 6 . 1 1 136 136 ASP CB C 136 38.180 38.180 41.951 -3.771 19974 4934 1 6 . 1 1 136 136 ASP H H 136 9.036 9.036 8.218 0.818 19974 4935 1 6 . 1 1 137 137 GLU N N 137 125.270 125.270 124.425 0.845 19974 4936 1 6 . 1 1 137 137 GLU HA H 137 3.735 3.735 4.551 -0.816 19974 4937 1 6 . 1 1 137 137 GLU C C 137 176.110 176.110 176.189 -0.079 19974 4938 1 6 . 1 1 137 137 GLU CA C 137 59.490 59.490 56.208 3.282 19974 4939 1 6 . 1 1 137 137 GLU CB C 137 32.880 32.880 31.560 1.320 19974 4940 1 6 . 1 1 137 137 GLU H H 137 8.435 8.435 9.565 -1.130 19974 4941 1 6 . 1 1 138 138 LEU N N 138 117.210 117.210 122.184 -4.974 19974 4942 1 6 . 1 1 138 138 LEU HA H 138 4.960 4.960 4.717 0.243 19974 4943 1 6 . 1 1 138 138 LEU C C 138 173.560 173.560 174.638 -1.078 19974 4944 1 6 . 1 1 138 138 LEU CA C 138 50.310 50.310 51.950 -1.640 19974 4945 1 6 . 1 1 138 138 LEU CB C 138 41.350 41.350 43.111 -1.762 19974 4946 1 6 . 1 1 138 138 LEU H H 138 8.308 8.308 8.261 0.047 19974 4947 1 6 . 1 1 139 139 PRO HA H 139 4.335 4.335 4.512 -0.177 19974 4948 1 6 . 1 1 139 139 PRO C C 139 177.700 177.700 176.802 0.898 19974 4949 1 6 . 1 1 139 139 PRO CA C 139 62.550 62.550 62.077 0.473 19974 4950 1 6 . 1 1 139 139 PRO CB C 139 32.520 32.520 32.762 -0.242 19974 4951 1 6 . 1 1 140 140 ASN N N 140 120.930 120.930 116.950 3.980 19974 4952 1 6 . 1 1 140 140 ASN HA H 140 4.730 4.730 4.589 0.141 19974 4953 1 6 . 1 1 140 140 ASN C C 140 174.460 174.460 174.995 -0.535 19974 4954 1 6 . 1 1 140 140 ASN CA C 140 52.790 52.790 54.232 -1.442 19974 4955 1 6 . 1 1 140 140 ASN CB C 140 38.520 38.520 39.101 -0.581 19974 4956 1 6 . 1 1 140 140 ASN H H 140 9.213 9.213 8.632 0.581 19974 4957 1 6 . 1 1 141 141 THR N N 141 107.730 107.730 110.978 -3.248 19974 4958 1 6 . 1 1 141 141 THR HA H 141 3.853 3.853 4.342 -0.489 19974 4959 1 6 . 1 1 141 141 THR C C 141 176.410 176.410 174.349 2.061 19974 4960 1 6 . 1 1 141 141 THR CA C 141 61.560 61.560 61.419 0.141 19974 4961 1 6 . 1 1 141 141 THR CB C 141 69.450 69.450 70.544 -1.094 19974 4962 1 6 . 1 1 141 141 THR H H 141 7.003 7.003 7.427 -0.424 19974 4963 1 6 . 1 1 142 142 ILE N N 142 129.530 129.530 122.549 6.981 19974 4964 1 6 . 1 1 142 142 ILE HA H 142 3.976 3.976 4.143 -0.167 19974 4965 1 6 . 1 1 142 142 ILE C C 142 176.020 176.020 175.874 0.146 19974 4966 1 6 . 1 1 142 142 ILE CA C 142 62.150 62.150 61.591 0.559 19974 4967 1 6 . 1 1 142 142 ILE CB C 142 37.890 37.890 38.348 -0.458 19974 4968 1 6 . 1 1 142 142 ILE H H 142 9.030 9.030 8.431 0.599 19974 4969 1 6 . 1 1 143 143 SER N N 143 124.630 124.630 123.245 1.385 19974 4970 1 6 . 1 1 143 143 SER HA H 143 4.481 4.481 4.663 -0.182 19974 4971 1 6 . 1 1 143 143 SER C C 143 172.920 172.920 172.679 0.241 19974 4972 1 6 . 1 1 143 143 SER CA C 143 57.120 57.120 57.527 -0.407 19974 4973 1 6 . 1 1 143 143 SER CB C 143 60.710 60.710 64.727 -4.017 19974 4974 1 6 . 1 1 143 143 SER H H 143 8.709 8.709 8.673 0.036 19974 4975 1 6 . 1 1 144 144 LYS N N 144 126.170 126.170 122.932 3.238 19974 4976 1 6 . 1 1 144 144 LYS HA H 144 4.954 4.954 4.617 0.337 19974 4977 1 6 . 1 1 144 144 LYS C C 144 175.910 175.910 176.529 -0.619 19974 4978 1 6 . 1 1 144 144 LYS CA C 144 54.580 54.580 54.559 0.022 19974 4979 1 6 . 1 1 144 144 LYS CB C 144 35.170 35.170 36.278 -1.108 19974 4980 1 6 . 1 1 144 144 LYS H H 144 8.043 8.043 8.182 -0.139 19974 4981 1 7 . 1 1 3 3 LYS HA H 3 4.317 4.317 4.445 -0.128 19974 4982 1 7 . 1 1 3 3 LYS C C 3 176.840 176.840 177.435 -0.595 19974 4983 1 7 . 1 1 3 3 LYS CA C 3 56.180 56.180 56.021 0.159 19974 4984 1 7 . 1 1 3 3 LYS CB C 3 33.030 33.030 32.656 0.374 19974 4985 1 7 . 1 1 4 4 ILE N N 4 122.990 122.990 121.193 1.797 19974 4986 1 7 . 1 1 4 4 ILE HA H 4 3.919 3.919 4.043 -0.124 19974 4987 1 7 . 1 1 4 4 ILE C C 4 176.120 176.120 176.780 -0.660 19974 4988 1 7 . 1 1 4 4 ILE CA C 4 61.530 61.530 63.135 -1.605 19974 4989 1 7 . 1 1 4 4 ILE CB C 4 38.040 38.040 38.317 -0.277 19974 4990 1 7 . 1 1 4 4 ILE H H 4 8.391 8.391 8.456 -0.065 19974 4991 1 7 . 1 1 5 5 GLU N N 5 123.430 123.430 120.604 2.826 19974 4992 1 7 . 1 1 5 5 GLU HA H 5 4.116 4.116 4.395 -0.279 19974 4993 1 7 . 1 1 5 5 GLU C C 5 175.830 175.830 175.555 0.275 19974 4994 1 7 . 1 1 5 5 GLU CA C 5 56.900 56.900 56.361 0.539 19974 4995 1 7 . 1 1 5 5 GLU CB C 5 29.350 29.350 27.293 2.057 19974 4996 1 7 . 1 1 5 5 GLU H H 5 8.508 8.508 8.381 0.127 19974 4997 1 7 . 1 1 6 6 GLU N N 6 119.490 119.490 121.048 -1.558 19974 4998 1 7 . 1 1 6 6 GLU HA H 6 4.128 4.128 4.150 -0.022 19974 4999 1 7 . 1 1 6 6 GLU C C 6 176.270 176.270 177.449 -1.179 19974 5000 1 7 . 1 1 6 6 GLU CA C 6 55.700 55.700 58.005 -2.305 19974 5001 1 7 . 1 1 6 6 GLU CB C 6 30.190 30.190 29.751 0.439 19974 5002 1 7 . 1 1 6 6 GLU H H 6 7.843 7.843 8.168 -0.325 19974 5003 1 7 . 1 1 7 7 PHE N N 7 121.090 121.090 117.861 3.229 19974 5004 1 7 . 1 1 7 7 PHE HA H 7 4.284 4.284 4.307 -0.023 19974 5005 1 7 . 1 1 7 7 PHE C C 7 174.810 174.810 175.550 -0.740 19974 5006 1 7 . 1 1 7 7 PHE CA C 7 59.660 59.660 60.666 -1.006 19974 5007 1 7 . 1 1 7 7 PHE CB C 7 39.990 39.990 39.610 0.380 19974 5008 1 7 . 1 1 7 7 PHE H H 7 8.092 8.092 8.127 -0.035 19974 5009 1 7 . 1 1 8 8 LEU N N 8 116.700 116.700 115.433 1.267 19974 5010 1 7 . 1 1 8 8 LEU HA H 8 4.792 4.792 5.155 -0.363 19974 5011 1 7 . 1 1 8 8 LEU C C 8 176.940 176.940 175.939 1.001 19974 5012 1 7 . 1 1 8 8 LEU CA C 8 52.730 52.730 52.474 0.256 19974 5013 1 7 . 1 1 8 8 LEU CB C 8 45.650 45.650 46.191 -0.541 19974 5014 1 7 . 1 1 8 8 LEU H H 8 7.721 7.721 7.575 0.146 19974 5015 1 7 . 1 1 9 9 THR N N 9 113.700 113.700 111.141 2.559 19974 5016 1 7 . 1 1 9 9 THR HA H 9 4.397 4.397 4.639 -0.242 19974 5017 1 7 . 1 1 9 9 THR C C 9 175.410 175.410 175.898 -0.488 19974 5018 1 7 . 1 1 9 9 THR CA C 9 60.650 60.650 59.902 0.748 19974 5019 1 7 . 1 1 9 9 THR CB C 9 70.800 70.800 71.750 -0.950 19974 5020 1 7 . 1 1 9 9 THR H H 9 9.224 9.224 8.945 0.279 19974 5021 1 7 . 1 1 10 10 ALA N N 10 123.350 123.350 126.874 -3.524 19974 5022 1 7 . 1 1 10 10 ALA HA H 10 4.036 4.036 4.090 -0.054 19974 5023 1 7 . 1 1 10 10 ALA C C 10 181.050 181.050 179.562 1.488 19974 5024 1 7 . 1 1 10 10 ALA CA C 10 55.500 55.500 54.858 0.642 19974 5025 1 7 . 1 1 10 10 ALA CB C 10 17.914 17.914 18.601 -0.687 19974 5026 1 7 . 1 1 10 10 ALA H H 10 8.881 8.881 8.941 -0.060 19974 5027 1 7 . 1 1 11 11 GLU N N 11 117.680 117.680 118.079 -0.399 19974 5028 1 7 . 1 1 11 11 GLU HA H 11 3.949 3.949 4.045 -0.096 19974 5029 1 7 . 1 1 11 11 GLU C C 11 179.500 179.500 179.279 0.221 19974 5030 1 7 . 1 1 11 11 GLU CA C 11 59.490 59.490 59.217 0.273 19974 5031 1 7 . 1 1 11 11 GLU CB C 11 29.120 29.120 29.490 -0.370 19974 5032 1 7 . 1 1 11 11 GLU H H 11 8.460 8.460 7.969 0.491 19974 5033 1 7 . 1 1 12 12 GLU N N 12 121.860 121.860 120.364 1.496 19974 5034 1 7 . 1 1 12 12 GLU HA H 12 3.818 3.818 4.080 -0.262 19974 5035 1 7 . 1 1 12 12 GLU C C 12 178.130 178.130 178.941 -0.811 19974 5036 1 7 . 1 1 12 12 GLU CA C 12 59.210 59.210 59.410 -0.201 19974 5037 1 7 . 1 1 12 12 GLU CB C 12 30.800 30.800 29.747 1.053 19974 5038 1 7 . 1 1 12 12 GLU H H 12 7.698 7.698 7.684 0.014 19974 5039 1 7 . 1 1 13 13 GLU N N 13 118.170 118.170 119.843 -1.673 19974 5040 1 7 . 1 1 13 13 GLU HA H 13 3.640 3.640 4.028 -0.388 19974 5041 1 7 . 1 1 13 13 GLU C C 13 178.070 178.070 179.077 -1.007 19974 5042 1 7 . 1 1 13 13 GLU CA C 13 60.539 60.539 59.497 1.042 19974 5043 1 7 . 1 1 13 13 GLU CB C 13 29.130 29.130 29.560 -0.430 19974 5044 1 7 . 1 1 13 13 GLU H H 13 8.493 8.493 8.580 -0.087 19974 5045 1 7 . 1 1 14 14 LYS N N 14 117.980 117.980 118.733 -0.753 19974 5046 1 7 . 1 1 14 14 LYS HA H 14 3.887 3.887 4.050 -0.163 19974 5047 1 7 . 1 1 14 14 LYS C C 14 177.420 177.420 178.713 -1.293 19974 5048 1 7 . 1 1 14 14 LYS CA C 14 59.350 59.350 59.551 -0.201 19974 5049 1 7 . 1 1 14 14 LYS CB C 14 32.200 32.200 32.254 -0.054 19974 5050 1 7 . 1 1 14 14 LYS H H 14 7.650 7.650 7.930 -0.280 19974 5051 1 7 . 1 1 15 15 ALA N N 15 119.210 119.210 122.360 -3.150 19974 5052 1 7 . 1 1 15 15 ALA HA H 15 4.098 4.098 4.115 -0.017 19974 5053 1 7 . 1 1 15 15 ALA C C 15 180.550 180.550 179.303 1.247 19974 5054 1 7 . 1 1 15 15 ALA CA C 15 54.600 54.600 54.897 -0.297 19974 5055 1 7 . 1 1 15 15 ALA CB C 15 17.790 17.790 18.443 -0.653 19974 5056 1 7 . 1 1 15 15 ALA H H 15 7.362 7.362 7.344 0.018 19974 5057 1 7 . 1 1 16 16 ILE N N 16 119.990 119.990 119.593 0.397 19974 5058 1 7 . 1 1 16 16 ILE HA H 16 3.493 3.493 3.677 -0.184 19974 5059 1 7 . 1 1 16 16 ILE C C 16 176.510 176.510 177.648 -1.138 19974 5060 1 7 . 1 1 16 16 ILE CA C 16 65.072 65.072 64.336 0.736 19974 5061 1 7 . 1 1 16 16 ILE CB C 16 37.580 37.580 38.356 -0.776 19974 5062 1 7 . 1 1 16 16 ILE H H 16 7.592 7.592 7.762 -0.170 19974 5063 1 7 . 1 1 17 17 VAL N N 17 121.520 121.520 121.180 0.340 19974 5064 1 7 . 1 1 17 17 VAL HA H 17 3.504 3.504 3.561 -0.057 19974 5065 1 7 . 1 1 17 17 VAL C C 17 178.620 178.620 177.959 0.661 19974 5066 1 7 . 1 1 17 17 VAL CA C 17 67.324 67.324 66.837 0.487 19974 5067 1 7 . 1 1 17 17 VAL CB C 17 31.350 31.350 31.670 -0.320 19974 5068 1 7 . 1 1 17 17 VAL H H 17 8.155 8.155 8.516 -0.361 19974 5069 1 7 . 1 1 18 18 ASP N N 18 120.000 120.000 119.589 0.411 19974 5070 1 7 . 1 1 18 18 ASP HA H 18 4.223 4.223 4.442 -0.219 19974 5071 1 7 . 1 1 18 18 ASP C C 18 177.980 177.980 178.149 -0.169 19974 5072 1 7 . 1 1 18 18 ASP CA C 18 57.050 57.050 57.025 0.025 19974 5073 1 7 . 1 1 18 18 ASP CB C 18 39.410 39.410 40.147 -0.737 19974 5074 1 7 . 1 1 18 18 ASP H H 18 8.605 8.605 8.016 0.589 19974 5075 1 7 . 1 1 19 19 ALA N N 19 122.620 122.620 123.071 -0.451 19974 5076 1 7 . 1 1 19 19 ALA HA H 19 4.194 4.194 4.107 0.087 19974 5077 1 7 . 1 1 19 19 ALA C C 19 180.720 180.720 179.674 1.046 19974 5078 1 7 . 1 1 19 19 ALA CA C 19 54.970 54.970 55.027 -0.057 19974 5079 1 7 . 1 1 19 19 ALA CB C 19 17.850 17.850 18.342 -0.492 19974 5080 1 7 . 1 1 19 19 ALA H H 19 7.702 7.702 7.434 0.268 19974 5081 1 7 . 1 1 20 20 ILE N N 20 122.620 122.620 118.770 3.850 19974 5082 1 7 . 1 1 20 20 ILE HA H 20 3.309 3.309 3.648 -0.339 19974 5083 1 7 . 1 1 20 20 ILE C C 20 176.740 176.740 178.219 -1.479 19974 5084 1 7 . 1 1 20 20 ILE CA C 20 66.830 66.830 64.198 2.632 19974 5085 1 7 . 1 1 20 20 ILE CB C 20 38.140 38.140 36.761 1.379 19974 5086 1 7 . 1 1 20 20 ILE H H 20 8.234 8.234 7.861 0.373 19974 5087 1 7 . 1 1 21 21 ARG N N 21 119.660 119.660 118.889 0.771 19974 5088 1 7 . 1 1 21 21 ARG HA H 21 3.899 3.899 4.237 -0.338 19974 5089 1 7 . 1 1 21 21 ARG C C 21 179.540 179.540 178.880 0.660 19974 5090 1 7 . 1 1 21 21 ARG CA C 21 58.990 58.990 59.330 -0.339 19974 5091 1 7 . 1 1 21 21 ARG CB C 21 29.020 29.020 29.867 -0.847 19974 5092 1 7 . 1 1 21 21 ARG H H 21 8.212 8.212 7.799 0.413 19974 5093 1 7 . 1 1 22 22 ASP N N 22 118.640 118.640 118.992 -0.352 19974 5094 1 7 . 1 1 22 22 ASP HA H 22 4.239 4.239 4.488 -0.249 19974 5095 1 7 . 1 1 22 22 ASP C C 22 179.190 179.190 178.004 1.186 19974 5096 1 7 . 1 1 22 22 ASP CA C 22 57.270 57.270 56.456 0.814 19974 5097 1 7 . 1 1 22 22 ASP CB C 22 39.770 39.770 40.960 -1.190 19974 5098 1 7 . 1 1 22 22 ASP H H 22 8.137 8.137 7.619 0.518 19974 5099 1 7 . 1 1 23 23 ALA N N 23 126.120 126.120 123.853 2.267 19974 5100 1 7 . 1 1 23 23 ALA HA H 23 4.207 4.207 3.987 0.220 19974 5101 1 7 . 1 1 23 23 ALA C C 23 181.060 181.060 179.709 1.351 19974 5102 1 7 . 1 1 23 23 ALA CA C 23 55.430 55.430 55.028 0.402 19974 5103 1 7 . 1 1 23 23 ALA CB C 23 18.690 18.690 18.544 0.146 19974 5104 1 7 . 1 1 23 23 ALA H H 23 8.500 8.500 7.837 0.663 19974 5105 1 7 . 1 1 24 24 GLU N N 24 115.460 115.460 117.353 -1.893 19974 5106 1 7 . 1 1 24 24 GLU HA H 24 4.213 4.213 4.077 0.136 19974 5107 1 7 . 1 1 24 24 GLU C C 24 176.390 176.390 178.061 -1.671 19974 5108 1 7 . 1 1 24 24 GLU CA C 24 58.180 58.180 58.953 -0.773 19974 5109 1 7 . 1 1 24 24 GLU CB C 24 28.200 28.200 29.699 -1.499 19974 5110 1 7 . 1 1 24 24 GLU H H 24 8.451 8.451 8.174 0.277 19974 5111 1 7 . 1 1 25 25 LYS N N 25 115.790 115.790 115.515 0.275 19974 5112 1 7 . 1 1 25 25 LYS HA H 25 3.739 3.739 4.057 -0.318 19974 5113 1 7 . 1 1 25 25 LYS C C 25 176.020 176.020 176.358 -0.338 19974 5114 1 7 . 1 1 25 25 LYS CA C 25 56.220 56.220 57.150 -0.930 19974 5115 1 7 . 1 1 25 25 LYS CB C 25 32.070 32.070 32.095 -0.025 19974 5116 1 7 . 1 1 25 25 LYS H H 25 7.083 7.083 7.343 -0.260 19974 5117 1 7 . 1 1 26 26 ASN N N 26 115.060 115.060 116.065 -1.005 19974 5118 1 7 . 1 1 26 26 ASN HA H 26 4.749 4.749 4.687 0.062 19974 5119 1 7 . 1 1 26 26 ASN C C 26 174.280 174.280 173.914 0.366 19974 5120 1 7 . 1 1 26 26 ASN CA C 26 53.050 53.050 53.432 -0.382 19974 5121 1 7 . 1 1 26 26 ASN CB C 26 40.410 40.410 41.630 -1.220 19974 5122 1 7 . 1 1 26 26 ASN H H 26 7.931 7.931 8.025 -0.094 19974 5123 1 7 . 1 1 27 27 THR N N 27 113.430 113.430 113.033 0.397 19974 5124 1 7 . 1 1 27 27 THR HA H 27 5.507 5.507 5.145 0.362 19974 5125 1 7 . 1 1 27 27 THR C C 27 170.850 170.850 172.940 -2.090 19974 5126 1 7 . 1 1 27 27 THR CA C 27 57.130 57.130 60.296 -3.166 19974 5127 1 7 . 1 1 27 27 THR CB C 27 70.200 70.200 70.996 -0.796 19974 5128 1 7 . 1 1 27 27 THR H H 27 7.619 7.619 7.792 -0.173 19974 5129 1 7 . 1 1 28 28 SER N N 28 119.450 119.450 119.579 -0.129 19974 5130 1 7 . 1 1 28 28 SER HA H 28 4.773 4.773 4.866 -0.093 19974 5131 1 7 . 1 1 28 28 SER C C 28 176.330 176.330 173.548 2.782 19974 5132 1 7 . 1 1 28 28 SER CA C 28 58.913 58.913 58.080 0.833 19974 5133 1 7 . 1 1 28 28 SER CB C 28 64.360 64.360 63.702 0.659 19974 5134 1 7 . 1 1 28 28 SER H H 28 7.706 7.706 8.321 -0.615 19974 5135 1 7 . 1 1 29 29 GLY N N 29 111.350 111.350 107.989 3.361 19974 5136 1 7 . 1 1 29 29 GLY C C 29 171.210 171.210 173.509 -2.299 19974 5137 1 7 . 1 1 29 29 GLY CA C 29 44.643 44.643 43.967 0.676 19974 5138 1 7 . 1 1 29 29 GLY H H 29 9.011 9.011 7.545 1.466 19974 5139 1 7 . 1 1 30 30 GLU N N 30 120.620 120.620 120.916 -0.296 19974 5140 1 7 . 1 1 30 30 GLU HA H 30 4.867 4.867 4.735 0.132 19974 5141 1 7 . 1 1 30 30 GLU C C 30 174.500 174.500 175.188 -0.688 19974 5142 1 7 . 1 1 30 30 GLU CA C 30 54.320 54.320 55.021 -0.701 19974 5143 1 7 . 1 1 30 30 GLU CB C 30 34.030 34.030 32.303 1.727 19974 5144 1 7 . 1 1 30 30 GLU H H 30 6.897 6.897 8.123 -1.226 19974 5145 1 7 . 1 1 31 31 ILE N N 31 121.650 121.650 124.047 -2.397 19974 5146 1 7 . 1 1 31 31 ILE HA H 31 5.171 5.171 4.435 0.736 19974 5147 1 7 . 1 1 31 31 ILE C C 31 175.550 175.550 174.311 1.239 19974 5148 1 7 . 1 1 31 31 ILE CA C 31 59.740 59.740 60.371 -0.631 19974 5149 1 7 . 1 1 31 31 ILE CB C 31 42.520 42.520 40.358 2.162 19974 5150 1 7 . 1 1 31 31 ILE H H 31 8.546 8.546 8.636 -0.090 19974 5151 1 7 . 1 1 32 32 ARG N N 32 121.690 121.690 125.723 -4.033 19974 5152 1 7 . 1 1 32 32 ARG HA H 32 4.951 4.951 4.763 0.188 19974 5153 1 7 . 1 1 32 32 ARG C C 32 173.740 173.740 173.845 -0.105 19974 5154 1 7 . 1 1 32 32 ARG CA C 32 55.220 55.220 54.389 0.831 19974 5155 1 7 . 1 1 32 32 ARG CB C 32 34.720 34.720 34.734 -0.014 19974 5156 1 7 . 1 1 32 32 ARG H H 32 8.751 8.751 8.838 -0.087 19974 5157 1 7 . 1 1 33 33 VAL N N 33 120.770 120.770 124.635 -3.865 19974 5158 1 7 . 1 1 33 33 VAL HA H 33 4.972 4.972 4.442 0.530 19974 5159 1 7 . 1 1 33 33 VAL C C 33 173.790 173.790 174.107 -0.317 19974 5160 1 7 . 1 1 33 33 VAL CA C 33 59.700 59.700 61.473 -1.773 19974 5161 1 7 . 1 1 33 33 VAL CB C 33 34.820 34.820 33.949 0.871 19974 5162 1 7 . 1 1 33 33 VAL H H 33 8.617 8.617 8.674 -0.057 19974 5163 1 7 . 1 1 34 34 HIS N N 34 125.000 125.000 126.874 -1.874 19974 5164 1 7 . 1 1 34 34 HIS HA H 34 5.743 5.743 5.655 0.088 19974 5165 1 7 . 1 1 34 34 HIS C C 34 172.790 172.790 173.270 -0.480 19974 5166 1 7 . 1 1 34 34 HIS CA C 34 54.370 54.370 54.006 0.364 19974 5167 1 7 . 1 1 34 34 HIS CB C 34 36.840 36.840 33.297 3.543 19974 5168 1 7 . 1 1 34 34 HIS H H 34 8.552 8.552 9.063 -0.511 19974 5169 1 7 . 1 1 35 35 LEU N N 35 124.400 124.400 126.646 -2.246 19974 5170 1 7 . 1 1 35 35 LEU HA H 35 4.800 4.800 4.652 0.148 19974 5171 1 7 . 1 1 35 35 LEU C C 35 174.490 174.490 173.926 0.564 19974 5172 1 7 . 1 1 35 35 LEU CA C 35 52.190 52.190 53.731 -1.541 19974 5173 1 7 . 1 1 35 35 LEU CB C 35 44.880 44.880 45.803 -0.923 19974 5174 1 7 . 1 1 35 35 LEU H H 35 8.006 8.006 8.362 -0.356 19974 5175 1 7 . 1 1 36 36 GLU N N 36 116.112 116.112 125.105 -8.993 19974 5176 1 7 . 1 1 36 36 GLU HA H 36 4.573 4.573 4.536 0.037 19974 5177 1 7 . 1 1 36 36 GLU C C 36 174.350 174.350 175.125 -0.775 19974 5178 1 7 . 1 1 36 36 GLU CA C 36 54.130 54.130 55.230 -1.100 19974 5179 1 7 . 1 1 36 36 GLU CB C 36 31.960 31.960 33.174 -1.214 19974 5180 1 7 . 1 1 36 36 GLU H H 36 8.235 8.235 8.158 0.077 19974 5181 1 7 . 1 1 37 37 LYS N N 37 121.210 121.210 122.079 -0.869 19974 5182 1 7 . 1 1 37 37 LYS HA H 37 3.731 3.731 4.157 -0.426 19974 5183 1 7 . 1 1 37 37 LYS C C 37 175.200 175.200 176.941 -1.741 19974 5184 1 7 . 1 1 37 37 LYS CA C 37 61.410 61.410 58.913 2.497 19974 5185 1 7 . 1 1 37 37 LYS CB C 37 33.090 33.090 33.249 -0.159 19974 5186 1 7 . 1 1 37 37 LYS H H 37 9.055 9.055 8.476 0.579 19974 5187 1 7 . 1 1 38 38 THR N N 38 107.310 107.310 111.424 -4.114 19974 5188 1 7 . 1 1 38 38 THR HA H 38 4.448 4.448 4.566 -0.118 19974 5189 1 7 . 1 1 38 38 THR C C 38 171.420 171.420 173.274 -1.854 19974 5190 1 7 . 1 1 38 38 THR CA C 38 59.530 59.530 60.674 -1.144 19974 5191 1 7 . 1 1 38 38 THR CB C 38 69.570 69.570 70.286 -0.716 19974 5192 1 7 . 1 1 38 38 THR H H 38 7.480 7.480 7.928 -0.448 19974 5193 1 7 . 1 1 39 39 SER N N 39 116.050 116.050 121.589 -5.539 19974 5194 1 7 . 1 1 39 39 SER HA H 39 4.641 4.641 4.761 -0.120 19974 5195 1 7 . 1 1 39 39 SER C C 39 175.590 175.590 174.745 0.845 19974 5196 1 7 . 1 1 39 39 SER CA C 39 57.340 57.340 57.912 -0.572 19974 5197 1 7 . 1 1 39 39 SER CB C 39 64.560 64.560 64.354 0.206 19974 5198 1 7 . 1 1 39 39 SER H H 39 8.177 8.177 8.789 -0.612 19974 5199 1 7 . 1 1 40 40 GLU N N 40 124.630 124.630 123.750 0.880 19974 5200 1 7 . 1 1 40 40 GLU HA H 40 4.118 4.118 4.247 -0.129 19974 5201 1 7 . 1 1 40 40 GLU C C 40 176.520 176.520 176.549 -0.029 19974 5202 1 7 . 1 1 40 40 GLU CA C 40 58.100 58.100 57.798 0.302 19974 5203 1 7 . 1 1 40 40 GLU CB C 40 29.950 29.950 29.996 -0.046 19974 5204 1 7 . 1 1 40 40 GLU H H 40 8.905 8.905 8.809 0.096 19974 5205 1 7 . 1 1 41 41 ILE N N 41 113.290 113.290 114.927 -1.637 19974 5206 1 7 . 1 1 41 41 ILE HA H 41 4.460 4.460 4.326 0.134 19974 5207 1 7 . 1 1 41 41 ILE C C 41 175.350 175.350 174.975 0.375 19974 5208 1 7 . 1 1 41 41 ILE CA C 41 59.490 59.490 58.766 0.724 19974 5209 1 7 . 1 1 41 41 ILE CB C 41 40.150 40.150 39.862 0.288 19974 5210 1 7 . 1 1 41 41 ILE H H 41 7.446 7.446 7.317 0.129 19974 5211 1 7 . 1 1 42 42 ASP N N 42 122.230 122.230 120.823 1.407 19974 5212 1 7 . 1 1 42 42 ASP HA H 42 4.280 4.280 4.650 -0.370 19974 5213 1 7 . 1 1 42 42 ASP C C 42 177.430 177.430 177.174 0.256 19974 5214 1 7 . 1 1 42 42 ASP CA C 42 55.360 55.360 53.764 1.596 19974 5215 1 7 . 1 1 42 42 ASP CB C 42 42.690 42.690 41.618 1.072 19974 5216 1 7 . 1 1 42 42 ASP H H 42 8.271 8.271 8.339 -0.068 19974 5217 1 7 . 1 1 43 43 VAL N N 43 122.150 122.150 126.335 -4.185 19974 5218 1 7 . 1 1 43 43 VAL HA H 43 3.569 3.569 3.494 0.075 19974 5219 1 7 . 1 1 43 43 VAL C C 43 175.780 175.780 177.244 -1.464 19974 5220 1 7 . 1 1 43 43 VAL CA C 43 65.420 65.420 65.150 0.270 19974 5221 1 7 . 1 1 43 43 VAL CB C 43 31.300 31.300 32.051 -0.751 19974 5222 1 7 . 1 1 43 43 VAL H H 43 8.160 8.160 8.668 -0.508 19974 5223 1 7 . 1 1 44 44 PHE N N 44 121.770 121.770 119.794 1.976 19974 5224 1 7 . 1 1 44 44 PHE HA H 44 3.892 3.892 3.989 -0.097 19974 5225 1 7 . 1 1 44 44 PHE C C 44 177.140 177.140 176.546 0.594 19974 5226 1 7 . 1 1 44 44 PHE CA C 44 62.190 62.190 61.222 0.968 19974 5227 1 7 . 1 1 44 44 PHE CB C 44 38.350 38.350 38.983 -0.632 19974 5228 1 7 . 1 1 44 44 PHE H H 44 8.101 8.101 7.690 0.411 19974 5229 1 7 . 1 1 45 45 ASP N N 45 119.540 119.540 119.668 -0.128 19974 5230 1 7 . 1 1 45 45 ASP HA H 45 4.106 4.106 4.005 0.101 19974 5231 1 7 . 1 1 45 45 ASP C C 45 178.380 178.380 178.272 0.108 19974 5232 1 7 . 1 1 45 45 ASP CA C 45 57.010 57.010 57.478 -0.468 19974 5233 1 7 . 1 1 45 45 ASP CB C 45 37.900 37.900 40.220 -2.320 19974 5234 1 7 . 1 1 45 45 ASP H H 45 7.317 7.317 8.212 -0.895 19974 5235 1 7 . 1 1 46 46 ARG N N 46 119.920 119.920 120.675 -0.755 19974 5236 1 7 . 1 1 46 46 ARG HA H 46 3.733 3.733 3.783 -0.050 19974 5237 1 7 . 1 1 46 46 ARG C C 46 176.750 176.750 178.100 -1.350 19974 5238 1 7 . 1 1 46 46 ARG CA C 46 57.136 57.136 59.206 -2.070 19974 5239 1 7 . 1 1 46 46 ARG CB C 46 28.590 28.590 30.076 -1.486 19974 5240 1 7 . 1 1 46 46 ARG H H 46 8.246 8.246 8.099 0.147 19974 5241 1 7 . 1 1 47 47 ALA N N 47 120.910 120.910 121.667 -0.757 19974 5242 1 7 . 1 1 47 47 ALA HA H 47 3.048 3.048 3.790 -0.742 19974 5243 1 7 . 1 1 47 47 ALA C C 47 177.810 177.810 178.825 -1.015 19974 5244 1 7 . 1 1 47 47 ALA CA C 47 55.010 55.010 54.974 0.035 19974 5245 1 7 . 1 1 47 47 ALA CB C 47 17.400 17.400 18.169 -0.769 19974 5246 1 7 . 1 1 47 47 ALA H H 47 7.803 7.803 7.994 -0.191 19974 5247 1 7 . 1 1 48 48 MET N N 48 115.800 115.800 118.831 -3.031 19974 5248 1 7 . 1 1 48 48 MET HA H 48 2.568 2.568 3.541 -0.973 19974 5249 1 7 . 1 1 48 48 MET C C 48 177.790 177.790 177.609 0.181 19974 5250 1 7 . 1 1 48 48 MET CA C 48 58.910 58.910 59.092 -0.182 19974 5251 1 7 . 1 1 48 48 MET CB C 48 32.750 32.750 32.106 0.644 19974 5252 1 7 . 1 1 48 48 MET H H 48 7.148 7.148 7.455 -0.307 19974 5253 1 7 . 1 1 49 49 ASP N N 49 121.130 121.130 120.060 1.070 19974 5254 1 7 . 1 1 49 49 ASP HA H 49 4.326 4.326 4.303 0.023 19974 5255 1 7 . 1 1 49 49 ASP C C 49 178.960 178.960 179.144 -0.184 19974 5256 1 7 . 1 1 49 49 ASP CA C 49 57.330 57.330 57.821 -0.491 19974 5257 1 7 . 1 1 49 49 ASP CB C 49 40.180 40.180 40.707 -0.527 19974 5258 1 7 . 1 1 49 49 ASP H H 49 7.656 7.656 7.935 -0.279 19974 5259 1 7 . 1 1 50 50 VAL N N 50 122.030 122.030 120.164 1.866 19974 5260 1 7 . 1 1 50 50 VAL HA H 50 3.150 3.150 3.573 -0.423 19974 5261 1 7 . 1 1 50 50 VAL C C 50 176.610 176.610 177.848 -1.238 19974 5262 1 7 . 1 1 50 50 VAL CA C 50 66.980 66.980 66.399 0.581 19974 5263 1 7 . 1 1 50 50 VAL CB C 50 30.450 30.450 31.701 -1.251 19974 5264 1 7 . 1 1 50 50 VAL H H 50 8.506 8.506 8.323 0.183 19974 5265 1 7 . 1 1 51 51 PHE N N 51 120.010 120.010 120.807 -0.797 19974 5266 1 7 . 1 1 51 51 PHE HA H 51 3.701 3.701 4.192 -0.491 19974 5267 1 7 . 1 1 51 51 PHE C C 51 176.990 176.990 177.328 -0.338 19974 5268 1 7 . 1 1 51 51 PHE CA C 51 61.610 61.610 61.084 0.526 19974 5269 1 7 . 1 1 51 51 PHE CB C 51 39.350 39.350 39.208 0.142 19974 5270 1 7 . 1 1 51 51 PHE H H 51 8.236 8.236 8.444 -0.208 19974 5271 1 7 . 1 1 52 52 HIS N N 52 114.400 114.400 117.836 -3.436 19974 5272 1 7 . 1 1 52 52 HIS HA H 52 4.322 4.322 4.782 -0.460 19974 5273 1 7 . 1 1 52 52 HIS C C 52 179.389 179.389 178.509 0.880 19974 5274 1 7 . 1 1 52 52 HIS CA C 52 59.670 59.670 59.323 0.347 19974 5275 1 7 . 1 1 52 52 HIS CB C 52 28.380 28.380 29.903 -1.523 19974 5276 1 7 . 1 1 52 52 HIS H H 52 7.595 7.595 8.541 -0.946 19974 5277 1 7 . 1 1 53 53 ASN N N 53 125.300 125.300 119.695 5.605 19974 5278 1 7 . 1 1 53 53 ASN HA H 53 4.346 4.346 4.549 -0.203 19974 5279 1 7 . 1 1 53 53 ASN C C 53 177.560 177.560 177.090 0.470 19974 5280 1 7 . 1 1 53 53 ASN CA C 53 56.260 56.260 55.439 0.821 19974 5281 1 7 . 1 1 53 53 ASN CB C 53 38.020 38.020 38.325 -0.305 19974 5282 1 7 . 1 1 53 53 ASN H H 53 9.216 9.216 8.387 0.829 19974 5283 1 7 . 1 1 54 54 LEU N N 54 117.070 117.070 117.980 -0.910 19974 5284 1 7 . 1 1 54 54 LEU HA H 54 4.114 4.114 4.197 -0.083 19974 5285 1 7 . 1 1 54 54 LEU C C 54 175.780 175.780 175.939 -0.159 19974 5286 1 7 . 1 1 54 54 LEU CA C 54 54.400 54.400 55.339 -0.939 19974 5287 1 7 . 1 1 54 54 LEU CB C 54 42.810 42.810 42.026 0.784 19974 5288 1 7 . 1 1 54 54 LEU H H 54 8.270 8.270 7.825 0.445 19974 5289 1 7 . 1 1 55 55 LYS N N 55 116.580 116.580 115.174 1.406 19974 5290 1 7 . 1 1 55 55 LYS HA H 55 3.954 3.954 3.951 0.003 19974 5291 1 7 . 1 1 55 55 LYS C C 55 177.650 177.650 177.240 0.410 19974 5292 1 7 . 1 1 55 55 LYS CA C 55 56.630 56.630 57.285 -0.655 19974 5293 1 7 . 1 1 55 55 LYS CB C 55 28.110 28.110 29.801 -1.691 19974 5294 1 7 . 1 1 55 55 LYS H H 55 7.953 7.953 7.664 0.289 19974 5295 1 7 . 1 1 56 56 MET N N 56 114.460 114.460 116.281 -1.821 19974 5296 1 7 . 1 1 56 56 MET HA H 56 3.624 3.624 4.090 -0.466 19974 5297 1 7 . 1 1 56 56 MET C C 56 174.010 174.010 176.788 -2.778 19974 5298 1 7 . 1 1 56 56 MET CA C 56 56.800 56.800 58.365 -1.565 19974 5299 1 7 . 1 1 56 56 MET CB C 56 28.620 28.620 32.171 -3.551 19974 5300 1 7 . 1 1 56 56 MET H H 56 7.496 7.496 7.658 -0.162 19974 5301 1 7 . 1 1 57 57 ASP N N 57 113.610 113.610 117.833 -4.223 19974 5302 1 7 . 1 1 57 57 ASP HA H 57 4.490 4.490 4.514 -0.024 19974 5303 1 7 . 1 1 57 57 ASP C C 57 176.060 176.060 177.028 -0.968 19974 5304 1 7 . 1 1 57 57 ASP CA C 57 53.030 53.030 56.037 -3.007 19974 5305 1 7 . 1 1 57 57 ASP CB C 57 38.940 38.940 40.194 -1.254 19974 5306 1 7 . 1 1 57 57 ASP H H 57 8.921 8.921 8.390 0.531 19974 5307 1 7 . 1 1 58 58 ASN N N 58 119.880 119.880 118.954 0.926 19974 5308 1 7 . 1 1 58 58 ASN HA H 58 4.885 4.885 4.656 0.229 19974 5309 1 7 . 1 1 58 58 ASN C C 58 174.060 174.060 174.261 -0.201 19974 5310 1 7 . 1 1 58 58 ASN CA C 58 52.190 52.190 52.799 -0.609 19974 5311 1 7 . 1 1 58 58 ASN CB C 58 37.230 37.230 37.468 -0.237 19974 5312 1 7 . 1 1 58 58 ASN H H 58 7.070 7.070 7.691 -0.621 19974 5313 1 7 . 1 1 59 59 THR N N 59 108.570 108.570 109.948 -1.378 19974 5314 1 7 . 1 1 59 59 THR HA H 59 4.449 4.449 4.695 -0.246 19974 5315 1 7 . 1 1 59 59 THR C C 59 175.810 175.810 175.518 0.292 19974 5316 1 7 . 1 1 59 59 THR CA C 59 59.600 59.600 60.160 -0.560 19974 5317 1 7 . 1 1 59 59 THR CB C 59 70.900 70.900 71.957 -1.057 19974 5318 1 7 . 1 1 59 59 THR H H 59 7.636 7.636 7.827 -0.191 19974 5319 1 7 . 1 1 60 60 LYS N N 60 126.400 126.400 123.230 3.170 19974 5320 1 7 . 1 1 60 60 LYS HA H 60 3.923 3.923 4.180 -0.257 19974 5321 1 7 . 1 1 60 60 LYS C C 60 179.030 179.030 176.740 2.290 19974 5322 1 7 . 1 1 60 60 LYS CA C 60 59.600 59.600 58.714 0.886 19974 5323 1 7 . 1 1 60 60 LYS CB C 60 32.480 32.480 32.304 0.176 19974 5324 1 7 . 1 1 60 60 LYS H H 60 10.322 10.322 8.753 1.569 19974 5325 1 7 . 1 1 61 61 LEU N N 61 114.780 114.780 117.351 -2.571 19974 5326 1 7 . 1 1 61 61 LEU HA H 61 4.430 4.430 4.562 -0.132 19974 5327 1 7 . 1 1 61 61 LEU C C 61 175.660 175.660 175.571 0.089 19974 5328 1 7 . 1 1 61 61 LEU CA C 61 52.830 52.830 53.647 -0.817 19974 5329 1 7 . 1 1 61 61 LEU CB C 61 40.470 40.470 42.620 -2.150 19974 5330 1 7 . 1 1 61 61 LEU H H 61 8.555 8.555 7.780 0.775 19974 5331 1 7 . 1 1 62 62 GLN N N 62 116.490 116.490 116.709 -0.219 19974 5332 1 7 . 1 1 62 62 GLN HA H 62 3.715 3.715 3.908 -0.193 19974 5333 1 7 . 1 1 62 62 GLN C C 62 175.060 175.060 174.401 0.659 19974 5334 1 7 . 1 1 62 62 GLN CA C 62 56.440 56.440 56.556 -0.116 19974 5335 1 7 . 1 1 62 62 GLN CB C 62 26.480 26.480 26.154 0.326 19974 5336 1 7 . 1 1 62 62 GLN H H 62 7.526 7.526 7.721 -0.195 19974 5337 1 7 . 1 1 63 63 ASN N N 63 114.760 114.760 113.421 1.339 19974 5338 1 7 . 1 1 63 63 ASN HA H 63 4.352 4.352 4.943 -0.591 19974 5339 1 7 . 1 1 63 63 ASN C C 63 173.790 173.790 174.631 -0.841 19974 5340 1 7 . 1 1 63 63 ASN CA C 63 50.680 50.680 51.349 -0.669 19974 5341 1 7 . 1 1 63 63 ASN CB C 63 35.110 35.110 39.101 -3.991 19974 5342 1 7 . 1 1 63 63 ASN H H 63 8.243 8.243 7.785 0.458 19974 5343 1 7 . 1 1 64 64 GLY N N 64 105.820 105.820 108.326 -2.506 19974 5344 1 7 . 1 1 64 64 GLY C C 64 172.650 172.650 172.535 0.115 19974 5345 1 7 . 1 1 64 64 GLY CA C 64 44.136 44.136 44.173 -0.037 19974 5346 1 7 . 1 1 64 64 GLY H H 64 8.618 8.618 8.413 0.205 19974 5347 1 7 . 1 1 65 65 VAL N N 65 120.490 120.490 122.303 -1.813 19974 5348 1 7 . 1 1 65 65 VAL HA H 65 4.814 4.814 5.178 -0.364 19974 5349 1 7 . 1 1 65 65 VAL C C 65 172.610 172.610 174.327 -1.717 19974 5350 1 7 . 1 1 65 65 VAL CA C 65 60.890 60.890 61.107 -0.217 19974 5351 1 7 . 1 1 65 65 VAL CB C 65 35.570 35.570 35.455 0.115 19974 5352 1 7 . 1 1 65 65 VAL H H 65 9.053 9.053 8.988 0.065 19974 5353 1 7 . 1 1 66 66 LEU N N 66 127.740 127.740 128.080 -0.340 19974 5354 1 7 . 1 1 66 66 LEU HA H 66 5.097 5.097 5.333 -0.236 19974 5355 1 7 . 1 1 66 66 LEU C C 66 175.120 175.120 175.135 -0.015 19974 5356 1 7 . 1 1 66 66 LEU CA C 66 51.870 51.870 53.276 -1.406 19974 5357 1 7 . 1 1 66 66 LEU CB C 66 47.520 47.520 46.149 1.371 19974 5358 1 7 . 1 1 66 66 LEU H H 66 9.245 9.245 9.559 -0.314 19974 5359 1 7 . 1 1 67 67 ILE N N 67 126.030 126.030 127.836 -1.806 19974 5360 1 7 . 1 1 67 67 ILE HA H 67 4.484 4.484 4.798 -0.314 19974 5361 1 7 . 1 1 67 67 ILE C C 67 173.290 173.290 175.142 -1.852 19974 5362 1 7 . 1 1 67 67 ILE CA C 67 61.090 61.090 60.314 0.776 19974 5363 1 7 . 1 1 67 67 ILE CB C 67 37.480 37.480 37.523 -0.042 19974 5364 1 7 . 1 1 67 67 ILE H H 67 8.974 8.974 9.078 -0.104 19974 5365 1 7 . 1 1 68 68 TYR N N 68 129.400 129.400 130.397 -0.997 19974 5366 1 7 . 1 1 68 68 TYR HA H 68 4.887 4.887 4.809 0.078 19974 5367 1 7 . 1 1 68 68 TYR C C 68 174.140 174.140 173.917 0.223 19974 5368 1 7 . 1 1 68 68 TYR CA C 68 56.990 56.990 58.399 -1.409 19974 5369 1 7 . 1 1 68 68 TYR CB C 68 40.790 40.790 39.083 1.707 19974 5370 1 7 . 1 1 68 68 TYR H H 68 8.999 8.999 8.419 0.580 19974 5371 1 7 . 1 1 69 69 VAL N N 69 126.790 126.790 128.381 -1.591 19974 5372 1 7 . 1 1 69 69 VAL HA H 69 4.401 4.401 4.542 -0.141 19974 5373 1 7 . 1 1 69 69 VAL C C 69 172.350 172.350 173.611 -1.261 19974 5374 1 7 . 1 1 69 69 VAL CA C 69 60.810 60.810 60.601 0.209 19974 5375 1 7 . 1 1 69 69 VAL CB C 69 34.360 34.360 34.727 -0.367 19974 5376 1 7 . 1 1 69 69 VAL H H 69 8.378 8.378 7.992 0.386 19974 5377 1 7 . 1 1 70 70 ALA N N 70 129.770 129.770 130.231 -0.461 19974 5378 1 7 . 1 1 70 70 ALA HA H 70 4.592 4.592 5.098 -0.506 19974 5379 1 7 . 1 1 70 70 ALA C C 70 177.620 177.620 178.299 -0.679 19974 5380 1 7 . 1 1 70 70 ALA CA C 70 49.210 49.210 50.004 -0.794 19974 5381 1 7 . 1 1 70 70 ALA CB C 70 17.470 17.470 18.805 -1.335 19974 5382 1 7 . 1 1 70 70 ALA H H 70 8.078 8.078 8.727 -0.649 19974 5383 1 7 . 1 1 71 71 VAL N N 71 120.880 120.880 120.783 0.097 19974 5384 1 7 . 1 1 71 71 VAL HA H 71 2.847 2.847 3.610 -0.763 19974 5385 1 7 . 1 1 71 71 VAL C C 71 178.310 178.310 176.790 1.520 19974 5386 1 7 . 1 1 71 71 VAL CA C 71 66.030 66.030 64.578 1.452 19974 5387 1 7 . 1 1 71 71 VAL CB C 71 32.110 32.110 31.051 1.059 19974 5388 1 7 . 1 1 71 71 VAL H H 71 8.597 8.597 8.142 0.455 19974 5389 1 7 . 1 1 72 72 GLU N N 72 119.350 119.350 120.088 -0.738 19974 5390 1 7 . 1 1 72 72 GLU HA H 72 3.955 3.955 4.275 -0.320 19974 5391 1 7 . 1 1 72 72 GLU C C 72 177.650 177.650 177.561 0.089 19974 5392 1 7 . 1 1 72 72 GLU CA C 72 59.260 59.260 58.612 0.648 19974 5393 1 7 . 1 1 72 72 GLU CB C 72 28.940 28.940 30.145 -1.205 19974 5394 1 7 . 1 1 72 72 GLU H H 72 9.107 9.107 7.908 1.199 19974 5395 1 7 . 1 1 73 73 ASP N N 73 115.250 115.250 117.503 -2.253 19974 5396 1 7 . 1 1 73 73 ASP HA H 73 4.544 4.544 4.707 -0.163 19974 5397 1 7 . 1 1 73 73 ASP C C 73 175.460 175.460 176.006 -0.546 19974 5398 1 7 . 1 1 73 73 ASP CA C 73 54.030 54.030 54.053 -0.023 19974 5399 1 7 . 1 1 73 73 ASP CB C 73 41.350 41.350 41.279 0.071 19974 5400 1 7 . 1 1 73 73 ASP H H 73 7.039 7.039 7.634 -0.595 19974 5401 1 7 . 1 1 74 74 LYS N N 74 115.850 115.850 117.121 -1.271 19974 5402 1 7 . 1 1 74 74 LYS HA H 74 3.502 3.502 3.899 -0.397 19974 5403 1 7 . 1 1 74 74 LYS C C 74 174.920 174.920 175.525 -0.605 19974 5404 1 7 . 1 1 74 74 LYS CA C 74 57.180 57.180 57.588 -0.408 19974 5405 1 7 . 1 1 74 74 LYS CB C 74 29.100 29.100 30.931 -1.831 19974 5406 1 7 . 1 1 74 74 LYS H H 74 8.012 8.012 8.110 -0.098 19974 5407 1 7 . 1 1 75 75 THR N N 75 111.710 111.710 108.619 3.091 19974 5408 1 7 . 1 1 75 75 THR HA H 75 4.725 4.725 4.865 -0.140 19974 5409 1 7 . 1 1 75 75 THR C C 75 172.150 172.150 172.913 -0.763 19974 5410 1 7 . 1 1 75 75 THR CA C 75 60.740 60.740 60.036 0.704 19974 5411 1 7 . 1 1 75 75 THR CB C 75 70.900 70.900 71.481 -0.581 19974 5412 1 7 . 1 1 75 75 THR H H 75 7.763 7.763 7.861 -0.098 19974 5413 1 7 . 1 1 76 76 PHE N N 76 117.220 117.220 117.054 0.166 19974 5414 1 7 . 1 1 76 76 PHE HA H 76 5.968 5.968 5.574 0.394 19974 5415 1 7 . 1 1 76 76 PHE C C 76 173.250 173.250 173.495 -0.245 19974 5416 1 7 . 1 1 76 76 PHE CA C 76 54.920 54.920 56.250 -1.330 19974 5417 1 7 . 1 1 76 76 PHE CB C 76 42.780 42.780 41.833 0.947 19974 5418 1 7 . 1 1 76 76 PHE H H 76 7.992 7.992 7.673 0.319 19974 5419 1 7 . 1 1 77 77 VAL N N 77 120.030 120.030 120.206 -0.176 19974 5420 1 7 . 1 1 77 77 VAL HA H 77 4.015 4.015 4.624 -0.609 19974 5421 1 7 . 1 1 77 77 VAL C C 77 173.310 173.310 174.612 -1.302 19974 5422 1 7 . 1 1 77 77 VAL CA C 77 60.840 60.840 60.785 0.055 19974 5423 1 7 . 1 1 77 77 VAL CB C 77 37.410 37.410 36.596 0.814 19974 5424 1 7 . 1 1 77 77 VAL H H 77 9.447 9.447 9.175 0.272 19974 5425 1 7 . 1 1 78 78 ILE N N 78 125.240 125.240 122.231 3.009 19974 5426 1 7 . 1 1 78 78 ILE HA H 78 4.433 4.433 4.989 -0.556 19974 5427 1 7 . 1 1 78 78 ILE C C 78 174.090 174.090 175.044 -0.954 19974 5428 1 7 . 1 1 78 78 ILE CA C 78 60.081 60.081 60.393 -0.312 19974 5429 1 7 . 1 1 78 78 ILE CB C 78 38.340 38.340 40.264 -1.925 19974 5430 1 7 . 1 1 78 78 ILE H H 78 8.155 8.155 8.343 -0.188 19974 5431 1 7 . 1 1 79 79 TYR N N 79 130.130 130.130 128.840 1.290 19974 5432 1 7 . 1 1 79 79 TYR HA H 79 4.422 4.422 4.963 -0.541 19974 5433 1 7 . 1 1 79 79 TYR C C 79 172.740 172.740 173.871 -1.131 19974 5434 1 7 . 1 1 79 79 TYR CA C 79 57.390 57.390 57.405 -0.015 19974 5435 1 7 . 1 1 79 79 TYR CB C 79 40.820 40.820 42.940 -2.120 19974 5436 1 7 . 1 1 79 79 TYR H H 79 9.328 9.328 9.424 -0.096 19974 5437 1 7 . 1 1 80 80 GLY N N 80 114.140 114.140 112.904 1.236 19974 5438 1 7 . 1 1 80 80 GLY C C 80 171.090 171.090 173.199 -2.109 19974 5439 1 7 . 1 1 80 80 GLY CA C 80 42.860 42.860 43.519 -0.659 19974 5440 1 7 . 1 1 80 80 GLY H H 80 7.837 7.837 7.896 -0.059 19974 5441 1 7 . 1 1 81 81 ASP N N 81 115.660 115.660 121.218 -5.558 19974 5442 1 7 . 1 1 81 81 ASP HA H 81 4.248 4.248 4.443 -0.195 19974 5443 1 7 . 1 1 81 81 ASP C C 81 176.980 176.980 177.778 -0.798 19974 5444 1 7 . 1 1 81 81 ASP CA C 81 51.950 51.950 53.834 -1.884 19974 5445 1 7 . 1 1 81 81 ASP CB C 81 41.260 41.260 42.427 -1.167 19974 5446 1 7 . 1 1 81 81 ASP H H 81 7.633 7.633 8.610 -0.977 19974 5447 1 7 . 1 1 82 82 LYS N N 82 120.470 120.470 121.928 -1.458 19974 5448 1 7 . 1 1 82 82 LYS HA H 82 3.764 3.764 3.932 -0.168 19974 5449 1 7 . 1 1 82 82 LYS C C 82 176.350 176.350 178.661 -2.311 19974 5450 1 7 . 1 1 82 82 LYS CA C 82 59.290 59.290 59.928 -0.638 19974 5451 1 7 . 1 1 82 82 LYS CB C 82 33.720 33.720 32.337 1.383 19974 5452 1 7 . 1 1 82 82 LYS H H 82 9.212 9.212 8.814 0.398 19974 5453 1 7 . 1 1 83 83 GLY N N 83 105.260 105.260 105.903 -0.643 19974 5454 1 7 . 1 1 83 83 GLY C C 83 176.540 176.540 175.208 1.332 19974 5455 1 7 . 1 1 83 83 GLY CA C 83 46.260 46.260 46.634 -0.374 19974 5456 1 7 . 1 1 83 83 GLY H H 83 8.367 8.367 8.162 0.205 19974 5457 1 7 . 1 1 84 84 ILE N N 84 117.510 117.510 122.012 -4.502 19974 5458 1 7 . 1 1 84 84 ILE HA H 84 3.644 3.644 4.049 -0.405 19974 5459 1 7 . 1 1 84 84 ILE C C 84 177.010 177.010 177.674 -0.664 19974 5460 1 7 . 1 1 84 84 ILE CA C 84 63.636 63.636 64.375 -0.739 19974 5461 1 7 . 1 1 84 84 ILE CB C 84 38.820 38.820 38.537 0.283 19974 5462 1 7 . 1 1 84 84 ILE H H 84 7.040 7.040 7.670 -0.630 19974 5463 1 7 . 1 1 85 85 ASN N N 85 117.400 117.400 118.737 -1.337 19974 5464 1 7 . 1 1 85 85 ASN HA H 85 4.115 4.115 4.404 -0.289 19974 5465 1 7 . 1 1 85 85 ASN C C 85 176.600 176.600 176.894 -0.294 19974 5466 1 7 . 1 1 85 85 ASN CA C 85 55.840 55.840 55.828 0.012 19974 5467 1 7 . 1 1 85 85 ASN CB C 85 37.720 37.720 37.786 -0.066 19974 5468 1 7 . 1 1 85 85 ASN H H 85 7.351 7.351 8.080 -0.729 19974 5469 1 7 . 1 1 86 86 ASP N N 86 115.890 115.890 118.025 -2.135 19974 5470 1 7 . 1 1 86 86 ASP HA H 86 4.391 4.391 4.601 -0.210 19974 5471 1 7 . 1 1 86 86 ASP C C 86 177.240 177.240 177.382 -0.142 19974 5472 1 7 . 1 1 86 86 ASP CA C 86 56.260 56.260 55.985 0.275 19974 5473 1 7 . 1 1 86 86 ASP CB C 86 41.200 41.200 41.169 0.031 19974 5474 1 7 . 1 1 86 86 ASP H H 86 8.377 8.377 8.266 0.111 19974 5475 1 7 . 1 1 87 87 VAL N N 87 109.640 109.640 114.158 -4.518 19974 5476 1 7 . 1 1 87 87 VAL HA H 87 4.473 4.473 4.301 0.172 19974 5477 1 7 . 1 1 87 87 VAL C C 87 175.780 175.780 175.801 -0.021 19974 5478 1 7 . 1 1 87 87 VAL CA C 87 61.320 61.320 62.607 -1.287 19974 5479 1 7 . 1 1 87 87 VAL CB C 87 34.170 34.170 33.708 0.462 19974 5480 1 7 . 1 1 87 87 VAL H H 87 7.196 7.196 7.576 -0.380 19974 5481 1 7 . 1 1 88 88 VAL N N 88 113.200 113.200 115.242 -2.042 19974 5482 1 7 . 1 1 88 88 VAL HA H 88 3.789 3.789 4.194 -0.405 19974 5483 1 7 . 1 1 88 88 VAL C C 88 175.760 175.760 174.650 1.110 19974 5484 1 7 . 1 1 88 88 VAL CA C 88 60.640 60.640 59.874 0.766 19974 5485 1 7 . 1 1 88 88 VAL CB C 88 32.970 32.970 33.124 -0.154 19974 5486 1 7 . 1 1 88 88 VAL H H 88 6.921 6.921 7.797 -0.876 19974 5487 1 7 . 1 1 89 89 SER N N 89 114.460 114.460 114.809 -0.349 19974 5488 1 7 . 1 1 89 89 SER HA H 89 4.546 4.546 4.738 -0.192 19974 5489 1 7 . 1 1 89 89 SER C C 89 175.720 175.720 175.046 0.674 19974 5490 1 7 . 1 1 89 89 SER CA C 89 57.330 57.330 56.541 0.789 19974 5491 1 7 . 1 1 89 89 SER CB C 89 64.500 64.500 66.242 -1.742 19974 5492 1 7 . 1 1 89 89 SER H H 89 7.738 7.738 8.158 -0.420 19974 5493 1 7 . 1 1 90 90 ASP N N 90 120.250 120.250 120.190 0.060 19974 5494 1 7 . 1 1 90 90 ASP HA H 90 4.361 4.361 4.497 -0.136 19974 5495 1 7 . 1 1 90 90 ASP C C 90 176.630 176.630 177.730 -1.100 19974 5496 1 7 . 1 1 90 90 ASP CA C 90 57.050 57.050 56.951 0.099 19974 5497 1 7 . 1 1 90 90 ASP CB C 90 40.540 40.540 40.414 0.126 19974 5498 1 7 . 1 1 90 90 ASP H H 90 8.687 8.687 8.819 -0.132 19974 5499 1 7 . 1 1 91 91 ASP N N 91 116.800 116.800 119.555 -2.755 19974 5500 1 7 . 1 1 91 91 ASP HA H 91 4.605 4.605 4.484 0.121 19974 5501 1 7 . 1 1 91 91 ASP C C 91 177.610 177.610 178.246 -0.636 19974 5502 1 7 . 1 1 91 91 ASP CA C 91 52.890 52.890 56.887 -3.997 19974 5503 1 7 . 1 1 91 91 ASP CB C 91 40.230 40.230 40.988 -0.758 19974 5504 1 7 . 1 1 91 91 ASP H H 91 8.250 8.250 8.091 0.159 19974 5505 1 7 . 1 1 92 92 PHE N N 92 122.130 122.130 120.415 1.715 19974 5506 1 7 . 1 1 92 92 PHE HA H 92 3.857 3.857 4.360 -0.503 19974 5507 1 7 . 1 1 92 92 PHE C C 92 177.040 177.040 176.687 0.353 19974 5508 1 7 . 1 1 92 92 PHE CA C 92 61.910 61.910 60.612 1.298 19974 5509 1 7 . 1 1 92 92 PHE CB C 92 40.696 40.696 39.339 1.357 19974 5510 1 7 . 1 1 92 92 PHE H H 92 7.564 7.564 7.660 -0.096 19974 5511 1 7 . 1 1 93 93 TRP N N 93 113.980 113.980 118.549 -4.569 19974 5512 1 7 . 1 1 93 93 TRP HA H 93 4.726 4.726 4.572 0.154 19974 5513 1 7 . 1 1 93 93 TRP C C 93 176.420 176.420 178.255 -1.835 19974 5514 1 7 . 1 1 93 93 TRP CA C 93 56.020 56.020 59.954 -3.934 19974 5515 1 7 . 1 1 93 93 TRP CB C 93 29.990 29.990 29.365 0.625 19974 5516 1 7 . 1 1 93 93 TRP H H 93 8.532 8.532 7.748 0.784 19974 5517 1 7 . 1 1 94 94 ASP N N 94 122.120 122.120 120.523 1.597 19974 5518 1 7 . 1 1 94 94 ASP HA H 94 4.228 4.228 4.423 -0.195 19974 5519 1 7 . 1 1 94 94 ASP C C 94 178.550 178.550 178.533 0.017 19974 5520 1 7 . 1 1 94 94 ASP CA C 94 59.120 59.120 58.124 0.996 19974 5521 1 7 . 1 1 94 94 ASP CB C 94 39.140 39.140 40.501 -1.361 19974 5522 1 7 . 1 1 94 94 ASP H H 94 7.904 7.904 8.732 -0.828 19974 5523 1 7 . 1 1 95 95 THR N N 95 111.200 111.200 111.339 -0.139 19974 5524 1 7 . 1 1 95 95 THR HA H 95 4.004 4.004 4.011 -0.007 19974 5525 1 7 . 1 1 95 95 THR C C 95 177.630 177.630 176.517 1.113 19974 5526 1 7 . 1 1 95 95 THR CA C 95 65.560 65.560 65.831 -0.271 19974 5527 1 7 . 1 1 95 95 THR CB C 95 68.230 68.230 68.471 -0.241 19974 5528 1 7 . 1 1 95 95 THR H H 95 8.559 8.559 7.595 0.964 19974 5529 1 7 . 1 1 96 96 THR N N 96 123.230 123.230 118.950 4.280 19974 5530 1 7 . 1 1 96 96 THR HA H 96 3.725 3.725 3.892 -0.167 19974 5531 1 7 . 1 1 96 96 THR C C 96 175.410 175.410 176.357 -0.947 19974 5532 1 7 . 1 1 96 96 THR CA C 96 68.286 68.286 66.660 1.626 19974 5533 1 7 . 1 1 96 96 THR CB C 96 68.200 68.200 68.525 -0.325 19974 5534 1 7 . 1 1 96 96 THR H H 96 7.991 7.991 7.257 0.734 19974 5535 1 7 . 1 1 97 97 ARG N N 97 119.960 119.960 121.057 -1.097 19974 5536 1 7 . 1 1 97 97 ARG HA H 97 3.829 3.829 4.001 -0.172 19974 5537 1 7 . 1 1 97 97 ARG C C 97 178.320 178.320 178.618 -0.298 19974 5538 1 7 . 1 1 97 97 ARG CA C 97 60.390 60.390 60.013 0.377 19974 5539 1 7 . 1 1 97 97 ARG CB C 97 29.870 29.870 30.209 -0.339 19974 5540 1 7 . 1 1 97 97 ARG H H 97 8.825 8.825 8.017 0.808 19974 5541 1 7 . 1 1 98 98 ASN N N 98 115.680 115.680 118.253 -2.573 19974 5542 1 7 . 1 1 98 98 ASN HA H 98 4.390 4.390 4.503 -0.113 19974 5543 1 7 . 1 1 98 98 ASN C C 98 176.620 176.620 177.415 -0.795 19974 5544 1 7 . 1 1 98 98 ASN CA C 98 56.050 56.050 56.541 -0.491 19974 5545 1 7 . 1 1 98 98 ASN CB C 98 38.220 38.220 38.391 -0.171 19974 5546 1 7 . 1 1 98 98 ASN H H 98 8.508 8.508 8.552 -0.044 19974 5547 1 7 . 1 1 99 99 ALA N N 99 120.830 120.830 123.591 -2.761 19974 5548 1 7 . 1 1 99 99 ALA HA H 99 4.020 4.020 4.001 0.019 19974 5549 1 7 . 1 1 99 99 ALA C C 99 179.800 179.800 179.181 0.619 19974 5550 1 7 . 1 1 99 99 ALA CA C 99 54.770 54.770 55.093 -0.323 19974 5551 1 7 . 1 1 99 99 ALA CB C 99 18.110 18.110 18.569 -0.459 19974 5552 1 7 . 1 1 99 99 ALA H H 99 7.447 7.447 7.330 0.117 19974 5553 1 7 . 1 1 100 100 ILE N N 100 116.240 116.240 119.424 -3.184 19974 5554 1 7 . 1 1 100 100 ILE HA H 100 3.203 3.203 3.599 -0.396 19974 5555 1 7 . 1 1 100 100 ILE C C 100 178.050 178.050 177.731 0.319 19974 5556 1 7 . 1 1 100 100 ILE CA C 100 64.550 64.550 65.164 -0.614 19974 5557 1 7 . 1 1 100 100 ILE CB C 100 37.640 37.640 37.383 0.257 19974 5558 1 7 . 1 1 100 100 ILE H H 100 7.339 7.339 7.569 -0.230 19974 5559 1 7 . 1 1 101 101 GLN N N 101 118.750 118.750 119.430 -0.680 19974 5560 1 7 . 1 1 101 101 GLN HA H 101 3.917 3.917 3.787 0.130 19974 5561 1 7 . 1 1 101 101 GLN C C 101 177.870 177.870 178.421 -0.551 19974 5562 1 7 . 1 1 101 101 GLN CA C 101 59.200 59.200 59.238 -0.038 19974 5563 1 7 . 1 1 101 101 GLN CB C 101 28.860 28.860 28.891 -0.031 19974 5564 1 7 . 1 1 101 101 GLN H H 101 8.359 8.359 8.179 0.180 19974 5565 1 7 . 1 1 102 102 LEU N N 102 117.790 117.790 120.777 -2.987 19974 5566 1 7 . 1 1 102 102 LEU HA H 102 3.951 3.951 4.023 -0.072 19974 5567 1 7 . 1 1 102 102 LEU C C 102 179.550 179.550 179.015 0.535 19974 5568 1 7 . 1 1 102 102 LEU CA C 102 58.190 58.190 58.329 -0.139 19974 5569 1 7 . 1 1 102 102 LEU CB C 102 42.320 42.320 41.814 0.506 19974 5570 1 7 . 1 1 102 102 LEU H H 102 8.119 8.119 8.093 0.026 19974 5571 1 7 . 1 1 103 103 GLN N N 103 113.650 113.650 118.095 -4.445 19974 5572 1 7 . 1 1 103 103 GLN HA H 103 4.426 4.426 4.398 0.028 19974 5573 1 7 . 1 1 103 103 GLN C C 103 179.680 179.680 178.712 0.968 19974 5574 1 7 . 1 1 103 103 GLN CA C 103 56.550 56.550 58.503 -1.953 19974 5575 1 7 . 1 1 103 103 GLN CB C 103 27.480 27.480 28.458 -0.978 19974 5576 1 7 . 1 1 103 103 GLN H H 103 6.636 6.636 7.760 -1.124 19974 5577 1 7 . 1 1 104 104 PHE N N 104 123.740 123.740 120.157 3.583 19974 5578 1 7 . 1 1 104 104 PHE HA H 104 3.895 3.895 4.390 -0.495 19974 5579 1 7 . 1 1 104 104 PHE C C 104 180.130 180.130 177.808 2.322 19974 5580 1 7 . 1 1 104 104 PHE CA C 104 59.760 59.760 61.498 -1.738 19974 5581 1 7 . 1 1 104 104 PHE CB C 104 36.620 36.620 39.050 -2.430 19974 5582 1 7 . 1 1 104 104 PHE H H 104 9.161 9.161 8.626 0.535 19974 5583 1 7 . 1 1 105 105 LYS N N 105 119.280 119.280 119.160 0.120 19974 5584 1 7 . 1 1 105 105 LYS HA H 105 4.126 4.126 4.084 0.042 19974 5585 1 7 . 1 1 105 105 LYS C C 105 177.290 177.290 178.676 -1.386 19974 5586 1 7 . 1 1 105 105 LYS CA C 105 58.913 58.913 59.060 -0.147 19974 5587 1 7 . 1 1 105 105 LYS CB C 105 31.920 31.920 32.303 -0.383 19974 5588 1 7 . 1 1 105 105 LYS H H 105 8.519 8.519 8.215 0.304 19974 5589 1 7 . 1 1 106 106 GLN N N 106 114.530 114.530 115.378 -0.848 19974 5590 1 7 . 1 1 106 106 GLN HA H 106 4.415 4.415 4.231 0.184 19974 5591 1 7 . 1 1 106 106 GLN C C 106 175.450 175.450 177.018 -1.568 19974 5592 1 7 . 1 1 106 106 GLN CA C 106 54.850 54.850 57.295 -2.445 19974 5593 1 7 . 1 1 106 106 GLN CB C 106 30.010 30.010 29.653 0.357 19974 5594 1 7 . 1 1 106 106 GLN H H 106 6.934 6.934 7.846 -0.912 19974 5595 1 7 . 1 1 107 107 GLY N N 107 106.800 106.800 105.888 0.912 19974 5596 1 7 . 1 1 107 107 GLY C C 107 173.140 173.140 174.307 -1.167 19974 5597 1 7 . 1 1 107 107 GLY CA C 107 44.930 44.930 44.635 0.295 19974 5598 1 7 . 1 1 107 107 GLY H H 107 7.722 7.722 8.029 -0.307 19974 5599 1 7 . 1 1 108 108 ASN N N 108 120.230 120.230 121.046 -0.816 19974 5600 1 7 . 1 1 108 108 ASN HA H 108 4.827 4.827 4.930 -0.103 19974 5601 1 7 . 1 1 108 108 ASN C C 108 174.820 174.820 175.175 -0.355 19974 5602 1 7 . 1 1 108 108 ASN CA C 108 50.520 50.520 50.104 0.416 19974 5603 1 7 . 1 1 108 108 ASN CB C 108 37.090 37.090 37.065 0.025 19974 5604 1 7 . 1 1 108 108 ASN H H 108 7.654 7.654 8.263 -0.609 19974 5605 1 7 . 1 1 109 109 PHE N N 109 122.130 122.130 121.037 1.093 19974 5606 1 7 . 1 1 109 109 PHE HA H 109 4.038 4.038 3.017 1.021 19974 5607 1 7 . 1 1 109 109 PHE C C 109 177.270 177.270 177.533 -0.263 19974 5608 1 7 . 1 1 109 109 PHE CA C 109 60.670 60.670 60.279 0.390 19974 5609 1 7 . 1 1 109 109 PHE CB C 109 38.220 38.220 37.850 0.370 19974 5610 1 7 . 1 1 109 109 PHE H H 109 7.231 7.231 6.938 0.293 19974 5611 1 7 . 1 1 110 110 LYS N N 110 118.670 118.670 118.988 -0.318 19974 5612 1 7 . 1 1 110 110 LYS HA H 110 3.610 3.610 3.922 -0.312 19974 5613 1 7 . 1 1 110 110 LYS C C 110 177.680 177.680 178.942 -1.262 19974 5614 1 7 . 1 1 110 110 LYS CA C 110 60.050 60.050 60.498 -0.448 19974 5615 1 7 . 1 1 110 110 LYS CB C 110 29.680 29.680 31.626 -1.946 19974 5616 1 7 . 1 1 110 110 LYS H H 110 8.727 8.727 8.389 0.338 19974 5617 1 7 . 1 1 111 111 GLN N N 111 117.980 117.980 117.904 0.076 19974 5618 1 7 . 1 1 111 111 GLN HA H 111 3.491 3.491 4.115 -0.624 19974 5619 1 7 . 1 1 111 111 GLN C C 111 177.640 177.640 178.572 -0.932 19974 5620 1 7 . 1 1 111 111 GLN CA C 111 57.530 57.530 58.642 -1.112 19974 5621 1 7 . 1 1 111 111 GLN CB C 111 28.460 28.460 28.284 0.176 19974 5622 1 7 . 1 1 111 111 GLN H H 111 8.442 8.442 7.869 0.573 19974 5623 1 7 . 1 1 112 112 GLY N N 112 103.740 103.740 108.434 -4.694 19974 5624 1 7 . 1 1 112 112 GLY C C 112 173.970 173.970 176.516 -2.546 19974 5625 1 7 . 1 1 112 112 GLY CA C 112 48.730 48.730 46.938 1.792 19974 5626 1 7 . 1 1 112 112 GLY H H 112 8.196 8.196 8.166 0.030 19974 5627 1 7 . 1 1 113 113 LEU N N 113 119.640 119.640 123.329 -3.689 19974 5628 1 7 . 1 1 113 113 LEU HA H 113 3.868 3.868 4.005 -0.137 19974 5629 1 7 . 1 1 113 113 LEU C C 113 177.480 177.480 178.814 -1.334 19974 5630 1 7 . 1 1 113 113 LEU CA C 113 58.150 58.150 57.885 0.266 19974 5631 1 7 . 1 1 113 113 LEU CB C 113 41.920 41.920 42.119 -0.199 19974 5632 1 7 . 1 1 113 113 LEU H H 113 7.614 7.614 8.289 -0.675 19974 5633 1 7 . 1 1 114 114 VAL N N 114 118.510 118.510 120.246 -1.736 19974 5634 1 7 . 1 1 114 114 VAL HA H 114 3.269 3.269 3.475 -0.206 19974 5635 1 7 . 1 1 114 114 VAL C C 114 177.330 177.330 177.840 -0.510 19974 5636 1 7 . 1 1 114 114 VAL CA C 114 67.787 67.787 67.466 0.321 19974 5637 1 7 . 1 1 114 114 VAL CB C 114 31.600 31.600 31.625 -0.025 19974 5638 1 7 . 1 1 114 114 VAL H H 114 8.284 8.284 8.604 -0.320 19974 5639 1 7 . 1 1 115 115 ASP N N 115 119.440 119.440 118.687 0.753 19974 5640 1 7 . 1 1 115 115 ASP HA H 115 4.261 4.261 4.405 -0.144 19974 5641 1 7 . 1 1 115 115 ASP C C 115 179.840 179.840 178.669 1.171 19974 5642 1 7 . 1 1 115 115 ASP CA C 115 56.950 56.950 57.506 -0.556 19974 5643 1 7 . 1 1 115 115 ASP CB C 115 39.840 39.840 40.547 -0.707 19974 5644 1 7 . 1 1 115 115 ASP H H 115 8.724 8.724 8.528 0.196 19974 5645 1 7 . 1 1 116 116 GLY N N 116 107.280 107.280 108.286 -1.006 19974 5646 1 7 . 1 1 116 116 GLY C C 116 174.130 174.130 176.288 -2.158 19974 5647 1 7 . 1 1 116 116 GLY CA C 116 47.190 47.190 47.038 0.152 19974 5648 1 7 . 1 1 116 116 GLY H H 116 8.370 8.370 7.871 0.499 19974 5649 1 7 . 1 1 117 117 ILE N N 117 123.350 123.350 122.730 0.620 19974 5650 1 7 . 1 1 117 117 ILE HA H 117 3.307 3.307 3.564 -0.257 19974 5651 1 7 . 1 1 117 117 ILE C C 117 176.750 176.750 177.761 -1.011 19974 5652 1 7 . 1 1 117 117 ILE CA C 117 66.168 66.168 65.592 0.576 19974 5653 1 7 . 1 1 117 117 ILE CB C 117 37.760 37.760 37.865 -0.105 19974 5654 1 7 . 1 1 117 117 ILE H H 117 8.573 8.573 8.464 0.109 19974 5655 1 7 . 1 1 118 118 GLU N N 118 119.220 119.220 120.016 -0.796 19974 5656 1 7 . 1 1 118 118 GLU HA H 118 4.003 4.003 3.864 0.139 19974 5657 1 7 . 1 1 118 118 GLU C C 118 180.600 180.600 179.075 1.525 19974 5658 1 7 . 1 1 118 118 GLU CA C 118 59.472 59.472 60.019 -0.547 19974 5659 1 7 . 1 1 118 118 GLU CB C 118 29.310 29.310 29.340 -0.030 19974 5660 1 7 . 1 1 118 118 GLU H H 118 7.998 7.998 8.514 -0.516 19974 5661 1 7 . 1 1 119 119 LYS N N 119 118.270 118.270 119.316 -1.046 19974 5662 1 7 . 1 1 119 119 LYS HA H 119 3.897 3.897 4.029 -0.132 19974 5663 1 7 . 1 1 119 119 LYS C C 119 179.040 179.040 178.838 0.202 19974 5664 1 7 . 1 1 119 119 LYS CA C 119 58.090 58.090 59.044 -0.954 19974 5665 1 7 . 1 1 119 119 LYS CB C 119 31.340 31.340 32.266 -0.926 19974 5666 1 7 . 1 1 119 119 LYS H H 119 7.846 7.846 7.934 -0.088 19974 5667 1 7 . 1 1 120 120 ALA N N 120 125.280 125.280 122.498 2.782 19974 5668 1 7 . 1 1 120 120 ALA HA H 120 4.195 4.195 3.918 0.277 19974 5669 1 7 . 1 1 120 120 ALA C C 120 180.230 180.230 179.442 0.788 19974 5670 1 7 . 1 1 120 120 ALA CA C 120 55.040 55.040 55.042 -0.002 19974 5671 1 7 . 1 1 120 120 ALA CB C 120 17.380 17.380 18.277 -0.897 19974 5672 1 7 . 1 1 120 120 ALA H H 120 9.092 9.092 8.052 1.040 19974 5673 1 7 . 1 1 121 121 GLY N N 121 104.130 104.130 107.007 -2.877 19974 5674 1 7 . 1 1 121 121 GLY C C 121 174.930 174.930 176.299 -1.369 19974 5675 1 7 . 1 1 121 121 GLY CA C 121 47.590 47.590 47.230 0.360 19974 5676 1 7 . 1 1 121 121 GLY H H 121 8.606 8.606 8.521 0.085 19974 5677 1 7 . 1 1 122 122 MET N N 122 117.000 117.000 120.091 -3.091 19974 5678 1 7 . 1 1 122 122 MET HA H 122 4.183 4.183 4.266 -0.083 19974 5679 1 7 . 1 1 122 122 MET C C 122 178.500 178.500 178.429 0.071 19974 5680 1 7 . 1 1 122 122 MET CA C 122 57.470 57.470 56.831 0.639 19974 5681 1 7 . 1 1 122 122 MET CB C 122 32.200 32.200 31.569 0.631 19974 5682 1 7 . 1 1 122 122 MET H H 122 7.284 7.284 7.851 -0.567 19974 5683 1 7 . 1 1 123 123 ALA N N 123 124.060 124.060 121.971 2.089 19974 5684 1 7 . 1 1 123 123 ALA HA H 123 4.076 4.076 4.264 -0.188 19974 5685 1 7 . 1 1 123 123 ALA C C 123 180.880 180.880 180.372 0.508 19974 5686 1 7 . 1 1 123 123 ALA CA C 123 54.760 54.760 54.562 0.198 19974 5687 1 7 . 1 1 123 123 ALA CB C 123 17.590 17.590 18.413 -0.823 19974 5688 1 7 . 1 1 123 123 ALA H H 123 8.308 8.308 8.142 0.166 19974 5689 1 7 . 1 1 124 124 LEU N N 124 117.060 117.060 120.549 -3.489 19974 5690 1 7 . 1 1 124 124 LEU HA H 124 4.270 4.270 4.252 0.018 19974 5691 1 7 . 1 1 124 124 LEU C C 124 179.170 179.170 179.241 -0.071 19974 5692 1 7 . 1 1 124 124 LEU CA C 124 57.840 57.840 57.963 -0.123 19974 5693 1 7 . 1 1 124 124 LEU CB C 124 42.920 42.920 41.899 1.021 19974 5694 1 7 . 1 1 124 124 LEU H H 124 8.871 8.871 8.608 0.263 19974 5695 1 7 . 1 1 125 125 ALA N N 125 120.950 120.950 121.071 -0.121 19974 5696 1 7 . 1 1 125 125 ALA HA H 125 3.956 3.956 4.403 -0.447 19974 5697 1 7 . 1 1 125 125 ALA C C 125 177.740 177.740 179.150 -1.410 19974 5698 1 7 . 1 1 125 125 ALA CA C 125 55.220 55.220 54.800 0.420 19974 5699 1 7 . 1 1 125 125 ALA CB C 125 19.180 19.180 18.403 0.777 19974 5700 1 7 . 1 1 125 125 ALA H H 125 7.829 7.829 8.780 -0.951 19974 5701 1 7 . 1 1 126 126 LYS N N 126 113.320 113.320 117.947 -4.627 19974 5702 1 7 . 1 1 126 126 LYS HA H 126 3.798 3.798 4.059 -0.261 19974 5703 1 7 . 1 1 126 126 LYS C C 126 176.550 176.550 177.881 -1.331 19974 5704 1 7 . 1 1 126 126 LYS CA C 126 58.490 58.490 58.677 -0.187 19974 5705 1 7 . 1 1 126 126 LYS CB C 126 32.620 32.620 32.630 -0.010 19974 5706 1 7 . 1 1 126 126 LYS H H 126 6.971 6.971 7.744 -0.773 19974 5707 1 7 . 1 1 127 127 TYR N N 127 113.850 113.850 115.566 -1.716 19974 5708 1 7 . 1 1 127 127 TYR HA H 127 4.067 4.067 4.274 -0.207 19974 5709 1 7 . 1 1 127 127 TYR C C 127 174.390 174.390 175.869 -1.479 19974 5710 1 7 . 1 1 127 127 TYR CA C 127 58.770 58.770 59.483 -0.713 19974 5711 1 7 . 1 1 127 127 TYR CB C 127 41.930 41.930 39.809 2.121 19974 5712 1 7 . 1 1 127 127 TYR H H 127 6.817 6.817 7.733 -0.916 19974 5713 1 7 . 1 1 128 128 PHE N N 128 116.130 116.130 117.595 -1.465 19974 5714 1 7 . 1 1 128 128 PHE HA H 128 4.907 4.907 5.062 -0.155 19974 5715 1 7 . 1 1 128 128 PHE C C 128 172.450 172.450 173.834 -1.384 19974 5716 1 7 . 1 1 128 128 PHE CA C 128 55.003 55.003 54.611 0.391 19974 5717 1 7 . 1 1 128 128 PHE CB C 128 38.550 38.550 39.366 -0.816 19974 5718 1 7 . 1 1 128 128 PHE H H 128 8.688 8.688 8.530 0.158 19974 5719 1 7 . 1 1 129 129 PRO HA H 129 4.680 4.680 4.611 0.069 19974 5720 1 7 . 1 1 129 129 PRO C C 129 175.720 175.720 176.670 -0.950 19974 5721 1 7 . 1 1 129 129 PRO CA C 129 63.382 63.382 62.728 0.654 19974 5722 1 7 . 1 1 129 129 PRO CB C 129 31.810 31.810 32.176 -0.366 19974 5723 1 7 . 1 1 130 130 TRP N N 130 123.170 123.170 128.255 -5.085 19974 5724 1 7 . 1 1 130 130 TRP HA H 130 4.031 4.031 4.772 -0.741 19974 5725 1 7 . 1 1 130 130 TRP C C 130 175.310 175.310 175.650 -0.340 19974 5726 1 7 . 1 1 130 130 TRP CA C 130 59.510 59.510 58.368 1.142 19974 5727 1 7 . 1 1 130 130 TRP CB C 130 29.300 29.300 30.516 -1.216 19974 5728 1 7 . 1 1 130 130 TRP H H 130 7.910 7.910 8.654 -0.744 19974 5729 1 7 . 1 1 131 131 LYS N N 131 127.060 127.060 125.175 1.885 19974 5730 1 7 . 1 1 131 131 LYS HA H 131 4.260 4.260 4.360 -0.100 19974 5731 1 7 . 1 1 131 131 LYS C C 131 174.450 174.450 176.529 -2.079 19974 5732 1 7 . 1 1 131 131 LYS CA C 131 53.240 53.240 54.020 -0.780 19974 5733 1 7 . 1 1 131 131 LYS CB C 131 35.250 35.250 34.468 0.782 19974 5734 1 7 . 1 1 131 131 LYS H H 131 8.097 8.097 8.120 -0.023 19974 5735 1 7 . 1 1 132 132 LYS N N 132 116.250 116.250 120.901 -4.651 19974 5736 1 7 . 1 1 132 132 LYS HA H 132 3.398 3.398 3.754 -0.356 19974 5737 1 7 . 1 1 132 132 LYS C C 132 176.550 176.550 176.292 0.258 19974 5738 1 7 . 1 1 132 132 LYS CA C 132 58.140 58.140 58.123 0.017 19974 5739 1 7 . 1 1 132 132 LYS CB C 132 31.880 31.880 32.429 -0.549 19974 5740 1 7 . 1 1 132 132 LYS H H 132 7.761 7.761 8.573 -0.812 19974 5741 1 7 . 1 1 133 133 ASP N N 133 116.600 116.600 118.441 -1.841 19974 5742 1 7 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.736 -0.385 19974 5743 1 7 . 1 1 133 133 ASP C C 133 175.320 175.320 175.015 0.305 19974 5744 1 7 . 1 1 133 133 ASP CA C 133 52.520 52.520 52.992 -0.472 19974 5745 1 7 . 1 1 133 133 ASP CB C 133 38.720 38.720 40.302 -1.582 19974 5746 1 7 . 1 1 133 133 ASP H H 133 7.633 7.633 7.578 0.055 19974 5747 1 7 . 1 1 134 134 ASP N N 134 119.140 119.140 120.518 -1.378 19974 5748 1 7 . 1 1 134 134 ASP HA H 134 3.989 3.989 4.435 -0.446 19974 5749 1 7 . 1 1 134 134 ASP C C 134 175.500 175.500 176.593 -1.093 19974 5750 1 7 . 1 1 134 134 ASP CA C 134 56.410 56.410 54.455 1.955 19974 5751 1 7 . 1 1 134 134 ASP CB C 134 42.740 42.740 42.148 0.592 19974 5752 1 7 . 1 1 134 134 ASP H H 134 7.251 7.251 7.432 -0.181 19974 5753 1 7 . 1 1 135 135 ILE N N 135 123.230 123.230 120.081 3.149 19974 5754 1 7 . 1 1 135 135 ILE HA H 135 4.301 4.301 4.392 -0.091 19974 5755 1 7 . 1 1 135 135 ILE C C 135 176.300 176.300 174.577 1.723 19974 5756 1 7 . 1 1 135 135 ILE CA C 135 58.640 58.640 59.682 -1.042 19974 5757 1 7 . 1 1 135 135 ILE CB C 135 40.800 40.800 39.693 1.107 19974 5758 1 7 . 1 1 135 135 ILE H H 135 8.351 8.351 8.281 0.070 19974 5759 1 7 . 1 1 136 136 ASP N N 136 131.670 131.670 128.028 3.642 19974 5760 1 7 . 1 1 136 136 ASP HA H 136 5.640 5.640 4.849 0.791 19974 5761 1 7 . 1 1 136 136 ASP C C 136 176.150 176.150 176.043 0.107 19974 5762 1 7 . 1 1 136 136 ASP CA C 136 52.560 52.560 54.064 -1.504 19974 5763 1 7 . 1 1 136 136 ASP CB C 136 38.180 38.180 40.853 -2.673 19974 5764 1 7 . 1 1 136 136 ASP H H 136 9.036 9.036 8.590 0.446 19974 5765 1 7 . 1 1 137 137 GLU N N 137 125.270 125.270 122.946 2.324 19974 5766 1 7 . 1 1 137 137 GLU HA H 137 3.735 3.735 4.404 -0.669 19974 5767 1 7 . 1 1 137 137 GLU C C 137 176.110 176.110 176.270 -0.160 19974 5768 1 7 . 1 1 137 137 GLU CA C 137 59.490 59.490 56.930 2.560 19974 5769 1 7 . 1 1 137 137 GLU CB C 137 32.880 32.880 30.537 2.344 19974 5770 1 7 . 1 1 137 137 GLU H H 137 8.435 8.435 9.387 -0.952 19974 5771 1 7 . 1 1 138 138 LEU N N 138 117.210 117.210 121.599 -4.389 19974 5772 1 7 . 1 1 138 138 LEU HA H 138 4.960 4.960 4.621 0.339 19974 5773 1 7 . 1 1 138 138 LEU C C 138 173.560 173.560 174.891 -1.331 19974 5774 1 7 . 1 1 138 138 LEU CA C 138 50.310 50.310 52.452 -2.142 19974 5775 1 7 . 1 1 138 138 LEU CB C 138 41.350 41.350 42.473 -1.123 19974 5776 1 7 . 1 1 138 138 LEU H H 138 8.308 8.308 8.021 0.287 19974 5777 1 7 . 1 1 139 139 PRO HA H 139 4.335 4.335 4.599 -0.264 19974 5778 1 7 . 1 1 139 139 PRO C C 139 177.700 177.700 176.194 1.506 19974 5779 1 7 . 1 1 139 139 PRO CA C 139 62.550 62.550 61.913 0.637 19974 5780 1 7 . 1 1 139 139 PRO CB C 139 32.520 32.520 33.100 -0.580 19974 5781 1 7 . 1 1 140 140 ASN N N 140 120.930 120.930 116.946 3.984 19974 5782 1 7 . 1 1 140 140 ASN HA H 140 4.730 4.730 4.522 0.208 19974 5783 1 7 . 1 1 140 140 ASN C C 140 174.460 174.460 174.852 -0.392 19974 5784 1 7 . 1 1 140 140 ASN CA C 140 52.790 52.790 54.035 -1.245 19974 5785 1 7 . 1 1 140 140 ASN CB C 140 38.520 38.520 38.427 0.093 19974 5786 1 7 . 1 1 140 140 ASN H H 140 9.213 9.213 8.659 0.554 19974 5787 1 7 . 1 1 141 141 THR N N 141 107.730 107.730 116.712 -8.982 19974 5788 1 7 . 1 1 141 141 THR HA H 141 3.853 3.853 4.280 -0.427 19974 5789 1 7 . 1 1 141 141 THR C C 141 176.410 176.410 174.057 2.353 19974 5790 1 7 . 1 1 141 141 THR CA C 141 61.560 61.560 62.383 -0.823 19974 5791 1 7 . 1 1 141 141 THR CB C 141 69.450 69.450 69.496 -0.046 19974 5792 1 7 . 1 1 141 141 THR H H 141 7.003 7.003 7.528 -0.525 19974 5793 1 7 . 1 1 142 142 ILE N N 142 129.530 129.530 127.996 1.534 19974 5794 1 7 . 1 1 142 142 ILE HA H 142 3.976 3.976 4.131 -0.155 19974 5795 1 7 . 1 1 142 142 ILE C C 142 176.020 176.020 176.252 -0.232 19974 5796 1 7 . 1 1 142 142 ILE CA C 142 62.150 62.150 62.369 -0.219 19974 5797 1 7 . 1 1 142 142 ILE CB C 142 37.890 37.890 38.019 -0.129 19974 5798 1 7 . 1 1 142 142 ILE H H 142 9.030 9.030 8.613 0.417 19974 5799 1 7 . 1 1 143 143 SER N N 143 124.630 124.630 123.308 1.322 19974 5800 1 7 . 1 1 143 143 SER HA H 143 4.481 4.481 4.668 -0.187 19974 5801 1 7 . 1 1 143 143 SER C C 143 172.920 172.920 172.984 -0.064 19974 5802 1 7 . 1 1 143 143 SER CA C 143 57.120 57.120 57.971 -0.851 19974 5803 1 7 . 1 1 143 143 SER CB C 143 60.710 60.710 64.141 -3.431 19974 5804 1 7 . 1 1 143 143 SER H H 143 8.709 8.709 8.853 -0.144 19974 5805 1 7 . 1 1 144 144 LYS N N 144 126.170 126.170 125.030 1.140 19974 5806 1 7 . 1 1 144 144 LYS HA H 144 4.954 4.954 4.841 0.113 19974 5807 1 7 . 1 1 144 144 LYS C C 144 175.910 175.910 176.722 -0.812 19974 5808 1 7 . 1 1 144 144 LYS CA C 144 54.580 54.580 54.515 0.065 19974 5809 1 7 . 1 1 144 144 LYS CB C 144 35.170 35.170 36.188 -1.018 19974 5810 1 7 . 1 1 144 144 LYS H H 144 8.043 8.043 8.394 -0.351 19974 5811 1 8 . 1 1 3 3 LYS HA H 3 4.317 4.317 4.149 0.168 19974 5812 1 8 . 1 1 3 3 LYS C C 3 176.840 176.840 177.953 -1.113 19974 5813 1 8 . 1 1 3 3 LYS CA C 3 56.180 56.180 58.442 -2.262 19974 5814 1 8 . 1 1 3 3 LYS CB C 3 33.030 33.030 32.288 0.742 19974 5815 1 8 . 1 1 4 4 ILE N N 4 122.990 122.990 111.755 11.235 19974 5816 1 8 . 1 1 4 4 ILE HA H 4 3.919 3.919 4.470 -0.551 19974 5817 1 8 . 1 1 4 4 ILE C C 4 176.120 176.120 176.478 -0.358 19974 5818 1 8 . 1 1 4 4 ILE CA C 4 61.530 61.530 60.823 0.707 19974 5819 1 8 . 1 1 4 4 ILE CB C 4 38.040 38.040 38.981 -0.941 19974 5820 1 8 . 1 1 4 4 ILE H H 4 8.391 8.391 7.755 0.636 19974 5821 1 8 . 1 1 5 5 GLU N N 5 123.430 123.430 122.382 1.048 19974 5822 1 8 . 1 1 5 5 GLU HA H 5 4.116 4.116 4.126 -0.010 19974 5823 1 8 . 1 1 5 5 GLU C C 5 175.830 175.830 177.357 -1.527 19974 5824 1 8 . 1 1 5 5 GLU CA C 5 56.900 56.900 58.351 -1.451 19974 5825 1 8 . 1 1 5 5 GLU CB C 5 29.350 29.350 30.011 -0.661 19974 5826 1 8 . 1 1 5 5 GLU H H 5 8.508 8.508 7.947 0.561 19974 5827 1 8 . 1 1 6 6 GLU N N 6 119.490 119.490 120.327 -0.837 19974 5828 1 8 . 1 1 6 6 GLU HA H 6 4.128 4.128 4.481 -0.353 19974 5829 1 8 . 1 1 6 6 GLU C C 6 176.270 176.270 176.177 0.093 19974 5830 1 8 . 1 1 6 6 GLU CA C 6 55.700 55.700 55.627 0.073 19974 5831 1 8 . 1 1 6 6 GLU CB C 6 30.190 30.190 29.834 0.356 19974 5832 1 8 . 1 1 6 6 GLU H H 6 7.843 7.843 7.563 0.280 19974 5833 1 8 . 1 1 7 7 PHE N N 7 121.090 121.090 126.792 -5.702 19974 5834 1 8 . 1 1 7 7 PHE HA H 7 4.284 4.284 4.274 0.010 19974 5835 1 8 . 1 1 7 7 PHE C C 7 174.810 174.810 174.920 -0.110 19974 5836 1 8 . 1 1 7 7 PHE CA C 7 59.660 59.660 59.448 0.212 19974 5837 1 8 . 1 1 7 7 PHE CB C 7 39.990 39.990 39.761 0.229 19974 5838 1 8 . 1 1 7 7 PHE H H 7 8.092 8.092 8.766 -0.674 19974 5839 1 8 . 1 1 8 8 LEU N N 8 116.700 116.700 118.904 -2.204 19974 5840 1 8 . 1 1 8 8 LEU HA H 8 4.792 4.792 4.428 0.364 19974 5841 1 8 . 1 1 8 8 LEU C C 8 176.940 176.940 175.746 1.194 19974 5842 1 8 . 1 1 8 8 LEU CA C 8 52.730 52.730 53.196 -0.466 19974 5843 1 8 . 1 1 8 8 LEU CB C 8 45.650 45.650 45.600 0.050 19974 5844 1 8 . 1 1 8 8 LEU H H 8 7.721 7.721 7.430 0.291 19974 5845 1 8 . 1 1 9 9 THR N N 9 113.700 113.700 117.715 -4.015 19974 5846 1 8 . 1 1 9 9 THR HA H 9 4.397 4.397 4.347 0.050 19974 5847 1 8 . 1 1 9 9 THR C C 9 175.410 175.410 176.205 -0.795 19974 5848 1 8 . 1 1 9 9 THR CA C 9 60.650 60.650 61.921 -1.271 19974 5849 1 8 . 1 1 9 9 THR CB C 9 70.800 70.800 69.966 0.834 19974 5850 1 8 . 1 1 9 9 THR H H 9 9.224 9.224 8.467 0.757 19974 5851 1 8 . 1 1 10 10 ALA N N 10 123.350 123.350 129.955 -6.605 19974 5852 1 8 . 1 1 10 10 ALA HA H 10 4.036 4.036 4.113 -0.077 19974 5853 1 8 . 1 1 10 10 ALA C C 10 181.050 181.050 179.716 1.334 19974 5854 1 8 . 1 1 10 10 ALA CA C 10 55.500 55.500 54.925 0.575 19974 5855 1 8 . 1 1 10 10 ALA CB C 10 17.914 17.914 18.373 -0.459 19974 5856 1 8 . 1 1 10 10 ALA H H 10 8.881 8.881 8.923 -0.042 19974 5857 1 8 . 1 1 11 11 GLU N N 11 117.680 117.680 118.315 -0.635 19974 5858 1 8 . 1 1 11 11 GLU HA H 11 3.949 3.949 3.969 -0.020 19974 5859 1 8 . 1 1 11 11 GLU C C 11 179.500 179.500 179.412 0.088 19974 5860 1 8 . 1 1 11 11 GLU CA C 11 59.490 59.490 59.822 -0.332 19974 5861 1 8 . 1 1 11 11 GLU CB C 11 29.120 29.120 29.265 -0.145 19974 5862 1 8 . 1 1 11 11 GLU H H 11 8.460 8.460 8.845 -0.385 19974 5863 1 8 . 1 1 12 12 GLU N N 12 121.860 121.860 118.620 3.240 19974 5864 1 8 . 1 1 12 12 GLU HA H 12 3.818 3.818 4.126 -0.308 19974 5865 1 8 . 1 1 12 12 GLU C C 12 178.130 178.130 179.129 -0.999 19974 5866 1 8 . 1 1 12 12 GLU CA C 12 59.210 59.210 58.878 0.332 19974 5867 1 8 . 1 1 12 12 GLU CB C 12 30.800 30.800 29.653 1.147 19974 5868 1 8 . 1 1 12 12 GLU H H 12 7.698 7.698 8.188 -0.490 19974 5869 1 8 . 1 1 13 13 GLU N N 13 118.170 118.170 120.029 -1.859 19974 5870 1 8 . 1 1 13 13 GLU HA H 13 3.640 3.640 4.087 -0.447 19974 5871 1 8 . 1 1 13 13 GLU C C 13 178.070 178.070 178.682 -0.612 19974 5872 1 8 . 1 1 13 13 GLU CA C 13 60.539 60.539 59.078 1.461 19974 5873 1 8 . 1 1 13 13 GLU CB C 13 29.130 29.130 29.570 -0.440 19974 5874 1 8 . 1 1 13 13 GLU H H 13 8.493 8.493 7.735 0.758 19974 5875 1 8 . 1 1 14 14 LYS N N 14 117.980 117.980 120.227 -2.247 19974 5876 1 8 . 1 1 14 14 LYS HA H 14 3.887 3.887 4.019 -0.132 19974 5877 1 8 . 1 1 14 14 LYS C C 14 177.420 177.420 178.567 -1.147 19974 5878 1 8 . 1 1 14 14 LYS CA C 14 59.350 59.350 59.366 -0.016 19974 5879 1 8 . 1 1 14 14 LYS CB C 14 32.200 32.200 32.482 -0.282 19974 5880 1 8 . 1 1 14 14 LYS H H 14 7.650 7.650 8.385 -0.735 19974 5881 1 8 . 1 1 15 15 ALA N N 15 119.210 119.210 121.707 -2.497 19974 5882 1 8 . 1 1 15 15 ALA HA H 15 4.098 4.098 4.081 0.017 19974 5883 1 8 . 1 1 15 15 ALA C C 15 180.550 180.550 179.543 1.007 19974 5884 1 8 . 1 1 15 15 ALA CA C 15 54.600 54.600 54.971 -0.371 19974 5885 1 8 . 1 1 15 15 ALA CB C 15 17.790 17.790 18.372 -0.582 19974 5886 1 8 . 1 1 15 15 ALA H H 15 7.362 7.362 7.462 -0.100 19974 5887 1 8 . 1 1 16 16 ILE N N 16 119.990 119.990 119.212 0.778 19974 5888 1 8 . 1 1 16 16 ILE HA H 16 3.493 3.493 3.712 -0.219 19974 5889 1 8 . 1 1 16 16 ILE C C 16 176.510 176.510 177.487 -0.977 19974 5890 1 8 . 1 1 16 16 ILE CA C 16 65.072 65.072 64.310 0.762 19974 5891 1 8 . 1 1 16 16 ILE CB C 16 37.580 37.580 38.345 -0.765 19974 5892 1 8 . 1 1 16 16 ILE H H 16 7.592 7.592 7.571 0.021 19974 5893 1 8 . 1 1 17 17 VAL N N 17 121.520 121.520 121.465 0.055 19974 5894 1 8 . 1 1 17 17 VAL HA H 17 3.504 3.504 3.538 -0.034 19974 5895 1 8 . 1 1 17 17 VAL C C 17 178.620 178.620 178.058 0.562 19974 5896 1 8 . 1 1 17 17 VAL CA C 17 67.324 67.324 66.877 0.447 19974 5897 1 8 . 1 1 17 17 VAL CB C 17 31.350 31.350 31.572 -0.222 19974 5898 1 8 . 1 1 17 17 VAL H H 17 8.155 8.155 7.886 0.269 19974 5899 1 8 . 1 1 18 18 ASP N N 18 120.000 120.000 119.290 0.710 19974 5900 1 8 . 1 1 18 18 ASP HA H 18 4.223 4.223 4.367 -0.144 19974 5901 1 8 . 1 1 18 18 ASP C C 18 177.980 177.980 177.937 0.043 19974 5902 1 8 . 1 1 18 18 ASP CA C 18 57.050 57.050 57.030 0.020 19974 5903 1 8 . 1 1 18 18 ASP CB C 18 39.410 39.410 40.288 -0.878 19974 5904 1 8 . 1 1 18 18 ASP H H 18 8.605 8.605 7.985 0.620 19974 5905 1 8 . 1 1 19 19 ALA N N 19 122.620 122.620 121.885 0.735 19974 5906 1 8 . 1 1 19 19 ALA HA H 19 4.194 4.194 4.129 0.065 19974 5907 1 8 . 1 1 19 19 ALA C C 19 180.720 180.720 179.362 1.358 19974 5908 1 8 . 1 1 19 19 ALA CA C 19 54.970 54.970 54.550 0.420 19974 5909 1 8 . 1 1 19 19 ALA CB C 19 17.850 17.850 18.603 -0.753 19974 5910 1 8 . 1 1 19 19 ALA H H 19 7.702 7.702 7.449 0.253 19974 5911 1 8 . 1 1 20 20 ILE N N 20 122.620 122.620 119.023 3.597 19974 5912 1 8 . 1 1 20 20 ILE HA H 20 3.309 3.309 3.624 -0.315 19974 5913 1 8 . 1 1 20 20 ILE C C 20 176.740 176.740 177.656 -0.916 19974 5914 1 8 . 1 1 20 20 ILE CA C 20 66.830 66.830 65.344 1.486 19974 5915 1 8 . 1 1 20 20 ILE CB C 20 38.140 38.140 37.937 0.203 19974 5916 1 8 . 1 1 20 20 ILE H H 20 8.234 8.234 7.971 0.263 19974 5917 1 8 . 1 1 21 21 ARG N N 21 119.660 119.660 118.744 0.916 19974 5918 1 8 . 1 1 21 21 ARG HA H 21 3.899 3.899 4.015 -0.116 19974 5919 1 8 . 1 1 21 21 ARG C C 21 179.540 179.540 177.693 1.847 19974 5920 1 8 . 1 1 21 21 ARG CA C 21 58.990 58.990 59.367 -0.377 19974 5921 1 8 . 1 1 21 21 ARG CB C 21 29.020 29.020 29.987 -0.967 19974 5922 1 8 . 1 1 21 21 ARG H H 21 8.212 8.212 7.780 0.432 19974 5923 1 8 . 1 1 22 22 ASP N N 22 118.640 118.640 117.242 1.398 19974 5924 1 8 . 1 1 22 22 ASP HA H 22 4.239 4.239 4.589 -0.350 19974 5925 1 8 . 1 1 22 22 ASP C C 22 179.190 179.190 177.354 1.836 19974 5926 1 8 . 1 1 22 22 ASP CA C 22 57.270 57.270 56.209 1.061 19974 5927 1 8 . 1 1 22 22 ASP CB C 22 39.770 39.770 40.796 -1.026 19974 5928 1 8 . 1 1 22 22 ASP H H 22 8.137 8.137 7.654 0.483 19974 5929 1 8 . 1 1 23 23 ALA N N 23 126.120 126.120 123.195 2.925 19974 5930 1 8 . 1 1 23 23 ALA HA H 23 4.207 4.207 4.090 0.117 19974 5931 1 8 . 1 1 23 23 ALA C C 23 181.060 181.060 179.291 1.769 19974 5932 1 8 . 1 1 23 23 ALA CA C 23 55.430 55.430 54.845 0.585 19974 5933 1 8 . 1 1 23 23 ALA CB C 23 18.690 18.690 18.797 -0.107 19974 5934 1 8 . 1 1 23 23 ALA H H 23 8.500 8.500 7.685 0.815 19974 5935 1 8 . 1 1 24 24 GLU N N 24 115.460 115.460 116.837 -1.377 19974 5936 1 8 . 1 1 24 24 GLU HA H 24 4.213 4.213 4.445 -0.232 19974 5937 1 8 . 1 1 24 24 GLU C C 24 176.390 176.390 177.474 -1.084 19974 5938 1 8 . 1 1 24 24 GLU CA C 24 58.180 58.180 57.600 0.580 19974 5939 1 8 . 1 1 24 24 GLU CB C 24 28.200 28.200 28.985 -0.785 19974 5940 1 8 . 1 1 24 24 GLU H H 24 8.451 8.451 7.953 0.498 19974 5941 1 8 . 1 1 25 25 LYS N N 25 115.790 115.790 116.762 -0.972 19974 5942 1 8 . 1 1 25 25 LYS HA H 25 3.739 3.739 4.083 -0.344 19974 5943 1 8 . 1 1 25 25 LYS C C 25 176.020 176.020 176.023 -0.003 19974 5944 1 8 . 1 1 25 25 LYS CA C 25 56.220 56.220 56.914 -0.694 19974 5945 1 8 . 1 1 25 25 LYS CB C 25 32.070 32.070 32.124 -0.055 19974 5946 1 8 . 1 1 25 25 LYS H H 25 7.083 7.083 7.219 -0.136 19974 5947 1 8 . 1 1 26 26 ASN N N 26 115.060 115.060 116.016 -0.956 19974 5948 1 8 . 1 1 26 26 ASN HA H 26 4.749 4.749 4.791 -0.042 19974 5949 1 8 . 1 1 26 26 ASN C C 26 174.280 174.280 173.845 0.435 19974 5950 1 8 . 1 1 26 26 ASN CA C 26 53.050 53.050 53.465 -0.415 19974 5951 1 8 . 1 1 26 26 ASN CB C 26 40.410 40.410 42.139 -1.730 19974 5952 1 8 . 1 1 26 26 ASN H H 26 7.931 7.931 8.230 -0.299 19974 5953 1 8 . 1 1 27 27 THR N N 27 113.430 113.430 113.597 -0.167 19974 5954 1 8 . 1 1 27 27 THR HA H 27 5.507 5.507 5.152 0.355 19974 5955 1 8 . 1 1 27 27 THR C C 27 170.850 170.850 174.031 -3.181 19974 5956 1 8 . 1 1 27 27 THR CA C 27 57.130 57.130 60.120 -2.990 19974 5957 1 8 . 1 1 27 27 THR CB C 27 70.200 70.200 70.415 -0.215 19974 5958 1 8 . 1 1 27 27 THR H H 27 7.619 7.619 7.947 -0.328 19974 5959 1 8 . 1 1 28 28 SER N N 28 119.450 119.450 122.821 -3.371 19974 5960 1 8 . 1 1 28 28 SER HA H 28 4.773 4.773 4.834 -0.061 19974 5961 1 8 . 1 1 28 28 SER C C 28 176.330 176.330 173.854 2.476 19974 5962 1 8 . 1 1 28 28 SER CA C 28 58.913 58.913 57.568 1.345 19974 5963 1 8 . 1 1 28 28 SER CB C 28 64.360 64.360 62.370 1.990 19974 5964 1 8 . 1 1 28 28 SER H H 28 7.706 7.706 8.724 -1.018 19974 5965 1 8 . 1 1 29 29 GLY N N 29 111.350 111.350 108.736 2.614 19974 5966 1 8 . 1 1 29 29 GLY C C 29 171.210 171.210 173.118 -1.908 19974 5967 1 8 . 1 1 29 29 GLY CA C 29 44.643 44.643 45.187 -0.544 19974 5968 1 8 . 1 1 29 29 GLY H H 29 9.011 9.011 7.459 1.552 19974 5969 1 8 . 1 1 30 30 GLU N N 30 120.620 120.620 124.192 -3.572 19974 5970 1 8 . 1 1 30 30 GLU HA H 30 4.867 4.867 4.886 -0.019 19974 5971 1 8 . 1 1 30 30 GLU C C 30 174.500 174.500 175.544 -1.044 19974 5972 1 8 . 1 1 30 30 GLU CA C 30 54.320 54.320 54.923 -0.603 19974 5973 1 8 . 1 1 30 30 GLU CB C 30 34.030 34.030 31.311 2.719 19974 5974 1 8 . 1 1 30 30 GLU H H 30 6.897 6.897 8.036 -1.139 19974 5975 1 8 . 1 1 31 31 ILE N N 31 121.650 121.650 126.251 -4.601 19974 5976 1 8 . 1 1 31 31 ILE HA H 31 5.171 5.171 4.361 0.810 19974 5977 1 8 . 1 1 31 31 ILE C C 31 175.550 175.550 174.841 0.709 19974 5978 1 8 . 1 1 31 31 ILE CA C 31 59.740 59.740 60.671 -0.931 19974 5979 1 8 . 1 1 31 31 ILE CB C 31 42.520 42.520 38.520 4.000 19974 5980 1 8 . 1 1 31 31 ILE H H 31 8.546 8.546 8.358 0.188 19974 5981 1 8 . 1 1 32 32 ARG N N 32 121.690 121.690 125.947 -4.257 19974 5982 1 8 . 1 1 32 32 ARG HA H 32 4.951 4.951 4.771 0.180 19974 5983 1 8 . 1 1 32 32 ARG C C 32 173.740 173.740 174.689 -0.949 19974 5984 1 8 . 1 1 32 32 ARG CA C 32 55.220 55.220 53.898 1.322 19974 5985 1 8 . 1 1 32 32 ARG CB C 32 34.720 34.720 34.001 0.719 19974 5986 1 8 . 1 1 32 32 ARG H H 32 8.751 8.751 8.974 -0.223 19974 5987 1 8 . 1 1 33 33 VAL N N 33 120.770 120.770 115.714 5.056 19974 5988 1 8 . 1 1 33 33 VAL HA H 33 4.972 4.972 4.760 0.212 19974 5989 1 8 . 1 1 33 33 VAL C C 33 173.790 173.790 173.644 0.146 19974 5990 1 8 . 1 1 33 33 VAL CA C 33 59.700 59.700 60.010 -0.310 19974 5991 1 8 . 1 1 33 33 VAL CB C 33 34.820 34.820 34.511 0.309 19974 5992 1 8 . 1 1 33 33 VAL H H 33 8.617 8.617 8.712 -0.095 19974 5993 1 8 . 1 1 34 34 HIS N N 34 125.000 125.000 124.984 0.016 19974 5994 1 8 . 1 1 34 34 HIS HA H 34 5.743 5.743 5.431 0.312 19974 5995 1 8 . 1 1 34 34 HIS C C 34 172.790 172.790 172.951 -0.161 19974 5996 1 8 . 1 1 34 34 HIS CA C 34 54.370 54.370 54.374 -0.004 19974 5997 1 8 . 1 1 34 34 HIS CB C 34 36.840 36.840 33.372 3.468 19974 5998 1 8 . 1 1 34 34 HIS H H 34 8.552 8.552 9.285 -0.733 19974 5999 1 8 . 1 1 35 35 LEU N N 35 124.400 124.400 128.150 -3.750 19974 6000 1 8 . 1 1 35 35 LEU HA H 35 4.800 4.800 4.681 0.119 19974 6001 1 8 . 1 1 35 35 LEU C C 35 174.490 174.490 174.302 0.188 19974 6002 1 8 . 1 1 35 35 LEU CA C 35 52.190 52.190 53.950 -1.760 19974 6003 1 8 . 1 1 35 35 LEU CB C 35 44.880 44.880 45.149 -0.269 19974 6004 1 8 . 1 1 35 35 LEU H H 35 8.006 8.006 8.287 -0.281 19974 6005 1 8 . 1 1 36 36 GLU N N 36 116.112 116.112 124.870 -8.758 19974 6006 1 8 . 1 1 36 36 GLU HA H 36 4.573 4.573 4.557 0.016 19974 6007 1 8 . 1 1 36 36 GLU C C 36 174.350 174.350 175.190 -0.840 19974 6008 1 8 . 1 1 36 36 GLU CA C 36 54.130 54.130 55.093 -0.963 19974 6009 1 8 . 1 1 36 36 GLU CB C 36 31.960 31.960 33.383 -1.423 19974 6010 1 8 . 1 1 36 36 GLU H H 36 8.235 8.235 8.663 -0.428 19974 6011 1 8 . 1 1 37 37 LYS N N 37 121.210 121.210 120.712 0.498 19974 6012 1 8 . 1 1 37 37 LYS HA H 37 3.731 3.731 4.094 -0.363 19974 6013 1 8 . 1 1 37 37 LYS C C 37 175.200 175.200 176.338 -1.138 19974 6014 1 8 . 1 1 37 37 LYS CA C 37 61.410 61.410 58.972 2.438 19974 6015 1 8 . 1 1 37 37 LYS CB C 37 33.090 33.090 33.257 -0.167 19974 6016 1 8 . 1 1 37 37 LYS H H 37 9.055 9.055 8.484 0.571 19974 6017 1 8 . 1 1 38 38 THR N N 38 107.310 107.310 111.142 -3.832 19974 6018 1 8 . 1 1 38 38 THR HA H 38 4.448 4.448 4.582 -0.134 19974 6019 1 8 . 1 1 38 38 THR C C 38 171.420 171.420 172.755 -1.335 19974 6020 1 8 . 1 1 38 38 THR CA C 38 59.530 59.530 60.725 -1.195 19974 6021 1 8 . 1 1 38 38 THR CB C 38 69.570 69.570 70.087 -0.517 19974 6022 1 8 . 1 1 38 38 THR H H 38 7.480 7.480 7.755 -0.275 19974 6023 1 8 . 1 1 39 39 SER N N 39 116.050 116.050 121.226 -5.176 19974 6024 1 8 . 1 1 39 39 SER HA H 39 4.641 4.641 4.767 -0.126 19974 6025 1 8 . 1 1 39 39 SER C C 39 175.590 175.590 175.375 0.215 19974 6026 1 8 . 1 1 39 39 SER CA C 39 57.340 57.340 57.275 0.065 19974 6027 1 8 . 1 1 39 39 SER CB C 39 64.560 64.560 64.541 0.019 19974 6028 1 8 . 1 1 39 39 SER H H 39 8.177 8.177 8.735 -0.558 19974 6029 1 8 . 1 1 40 40 GLU N N 40 124.630 124.630 122.833 1.797 19974 6030 1 8 . 1 1 40 40 GLU HA H 40 4.118 4.118 4.240 -0.122 19974 6031 1 8 . 1 1 40 40 GLU C C 40 176.520 176.520 176.332 0.188 19974 6032 1 8 . 1 1 40 40 GLU CA C 40 58.100 58.100 57.791 0.309 19974 6033 1 8 . 1 1 40 40 GLU CB C 40 29.950 29.950 29.847 0.103 19974 6034 1 8 . 1 1 40 40 GLU H H 40 8.905 8.905 8.853 0.052 19974 6035 1 8 . 1 1 41 41 ILE N N 41 113.290 113.290 113.451 -0.161 19974 6036 1 8 . 1 1 41 41 ILE HA H 41 4.460 4.460 4.434 0.026 19974 6037 1 8 . 1 1 41 41 ILE C C 41 175.350 175.350 174.613 0.737 19974 6038 1 8 . 1 1 41 41 ILE CA C 41 59.490 59.490 58.640 0.850 19974 6039 1 8 . 1 1 41 41 ILE CB C 41 40.150 40.150 40.950 -0.799 19974 6040 1 8 . 1 1 41 41 ILE H H 41 7.446 7.446 7.315 0.131 19974 6041 1 8 . 1 1 42 42 ASP N N 42 122.230 122.230 121.374 0.856 19974 6042 1 8 . 1 1 42 42 ASP HA H 42 4.280 4.280 4.851 -0.571 19974 6043 1 8 . 1 1 42 42 ASP C C 42 177.430 177.430 177.480 -0.050 19974 6044 1 8 . 1 1 42 42 ASP CA C 42 55.360 55.360 54.030 1.330 19974 6045 1 8 . 1 1 42 42 ASP CB C 42 42.690 42.690 41.179 1.511 19974 6046 1 8 . 1 1 42 42 ASP H H 42 8.271 8.271 8.561 -0.290 19974 6047 1 8 . 1 1 43 43 VAL N N 43 122.150 122.150 123.683 -1.533 19974 6048 1 8 . 1 1 43 43 VAL HA H 43 3.569 3.569 3.426 0.143 19974 6049 1 8 . 1 1 43 43 VAL C C 43 175.780 175.780 177.653 -1.873 19974 6050 1 8 . 1 1 43 43 VAL CA C 43 65.420 65.420 66.013 -0.593 19974 6051 1 8 . 1 1 43 43 VAL CB C 43 31.300 31.300 31.983 -0.683 19974 6052 1 8 . 1 1 43 43 VAL H H 43 8.160 8.160 8.624 -0.464 19974 6053 1 8 . 1 1 44 44 PHE N N 44 121.770 121.770 120.148 1.622 19974 6054 1 8 . 1 1 44 44 PHE HA H 44 3.892 3.892 3.980 -0.088 19974 6055 1 8 . 1 1 44 44 PHE C C 44 177.140 177.140 176.555 0.585 19974 6056 1 8 . 1 1 44 44 PHE CA C 44 62.190 62.190 61.622 0.568 19974 6057 1 8 . 1 1 44 44 PHE CB C 44 38.350 38.350 38.653 -0.303 19974 6058 1 8 . 1 1 44 44 PHE H H 44 8.101 8.101 8.313 -0.212 19974 6059 1 8 . 1 1 45 45 ASP N N 45 119.540 119.540 118.912 0.628 19974 6060 1 8 . 1 1 45 45 ASP HA H 45 4.106 4.106 4.217 -0.111 19974 6061 1 8 . 1 1 45 45 ASP C C 45 178.380 178.380 178.398 -0.018 19974 6062 1 8 . 1 1 45 45 ASP CA C 45 57.010 57.010 57.531 -0.521 19974 6063 1 8 . 1 1 45 45 ASP CB C 45 37.900 37.900 40.245 -2.345 19974 6064 1 8 . 1 1 45 45 ASP H H 45 7.317 7.317 7.879 -0.562 19974 6065 1 8 . 1 1 46 46 ARG N N 46 119.920 119.920 120.886 -0.966 19974 6066 1 8 . 1 1 46 46 ARG HA H 46 3.733 3.733 3.832 -0.099 19974 6067 1 8 . 1 1 46 46 ARG C C 46 176.750 176.750 178.004 -1.254 19974 6068 1 8 . 1 1 46 46 ARG CA C 46 57.136 57.136 59.280 -2.144 19974 6069 1 8 . 1 1 46 46 ARG CB C 46 28.590 28.590 30.116 -1.526 19974 6070 1 8 . 1 1 46 46 ARG H H 46 8.246 8.246 8.200 0.046 19974 6071 1 8 . 1 1 47 47 ALA N N 47 120.910 120.910 121.180 -0.270 19974 6072 1 8 . 1 1 47 47 ALA HA H 47 3.048 3.048 3.772 -0.724 19974 6073 1 8 . 1 1 47 47 ALA C C 47 177.810 177.810 179.483 -1.673 19974 6074 1 8 . 1 1 47 47 ALA CA C 47 55.010 55.010 54.733 0.278 19974 6075 1 8 . 1 1 47 47 ALA CB C 47 17.400 17.400 17.754 -0.354 19974 6076 1 8 . 1 1 47 47 ALA H H 47 7.803 7.803 7.955 -0.152 19974 6077 1 8 . 1 1 48 48 MET N N 48 115.800 115.800 118.534 -2.734 19974 6078 1 8 . 1 1 48 48 MET HA H 48 2.568 2.568 3.396 -0.828 19974 6079 1 8 . 1 1 48 48 MET C C 48 177.790 177.790 177.662 0.128 19974 6080 1 8 . 1 1 48 48 MET CA C 48 58.910 58.910 59.060 -0.150 19974 6081 1 8 . 1 1 48 48 MET CB C 48 32.750 32.750 32.127 0.623 19974 6082 1 8 . 1 1 48 48 MET H H 48 7.148 7.148 7.532 -0.384 19974 6083 1 8 . 1 1 49 49 ASP N N 49 121.130 121.130 119.467 1.663 19974 6084 1 8 . 1 1 49 49 ASP HA H 49 4.326 4.326 4.315 0.011 19974 6085 1 8 . 1 1 49 49 ASP C C 49 178.960 178.960 178.584 0.376 19974 6086 1 8 . 1 1 49 49 ASP CA C 49 57.330 57.330 57.540 -0.210 19974 6087 1 8 . 1 1 49 49 ASP CB C 49 40.180 40.180 40.866 -0.686 19974 6088 1 8 . 1 1 49 49 ASP H H 49 7.656 7.656 8.114 -0.458 19974 6089 1 8 . 1 1 50 50 VAL N N 50 122.030 122.030 119.840 2.190 19974 6090 1 8 . 1 1 50 50 VAL HA H 50 3.150 3.150 3.564 -0.414 19974 6091 1 8 . 1 1 50 50 VAL C C 50 176.610 176.610 177.836 -1.226 19974 6092 1 8 . 1 1 50 50 VAL CA C 50 66.980 66.980 66.298 0.682 19974 6093 1 8 . 1 1 50 50 VAL CB C 50 30.450 30.450 31.610 -1.160 19974 6094 1 8 . 1 1 50 50 VAL H H 50 8.506 8.506 8.325 0.181 19974 6095 1 8 . 1 1 51 51 PHE N N 51 120.010 120.010 120.695 -0.685 19974 6096 1 8 . 1 1 51 51 PHE HA H 51 3.701 3.701 4.162 -0.461 19974 6097 1 8 . 1 1 51 51 PHE C C 51 176.990 176.990 177.067 -0.077 19974 6098 1 8 . 1 1 51 51 PHE CA C 51 61.610 61.610 61.145 0.466 19974 6099 1 8 . 1 1 51 51 PHE CB C 51 39.350 39.350 39.198 0.152 19974 6100 1 8 . 1 1 51 51 PHE H H 51 8.236 8.236 8.058 0.178 19974 6101 1 8 . 1 1 52 52 HIS N N 52 114.400 114.400 116.587 -2.187 19974 6102 1 8 . 1 1 52 52 HIS HA H 52 4.322 4.322 4.426 -0.104 19974 6103 1 8 . 1 1 52 52 HIS C C 52 179.389 179.389 177.650 1.739 19974 6104 1 8 . 1 1 52 52 HIS CA C 52 59.670 59.670 60.019 -0.349 19974 6105 1 8 . 1 1 52 52 HIS CB C 52 28.380 28.380 30.322 -1.942 19974 6106 1 8 . 1 1 52 52 HIS H H 52 7.595 7.595 8.367 -0.772 19974 6107 1 8 . 1 1 53 53 ASN N N 53 125.300 125.300 117.791 7.509 19974 6108 1 8 . 1 1 53 53 ASN HA H 53 4.346 4.346 4.616 -0.270 19974 6109 1 8 . 1 1 53 53 ASN C C 53 177.560 177.560 176.717 0.843 19974 6110 1 8 . 1 1 53 53 ASN CA C 53 56.260 56.260 55.137 1.123 19974 6111 1 8 . 1 1 53 53 ASN CB C 53 38.020 38.020 38.498 -0.478 19974 6112 1 8 . 1 1 53 53 ASN H H 53 9.216 9.216 8.498 0.718 19974 6113 1 8 . 1 1 54 54 LEU N N 54 117.070 117.070 117.690 -0.620 19974 6114 1 8 . 1 1 54 54 LEU HA H 54 4.114 4.114 4.265 -0.151 19974 6115 1 8 . 1 1 54 54 LEU C C 54 175.780 175.780 176.387 -0.607 19974 6116 1 8 . 1 1 54 54 LEU CA C 54 54.400 54.400 55.258 -0.858 19974 6117 1 8 . 1 1 54 54 LEU CB C 54 42.810 42.810 42.196 0.614 19974 6118 1 8 . 1 1 54 54 LEU H H 54 8.270 8.270 7.942 0.328 19974 6119 1 8 . 1 1 55 55 LYS N N 55 116.580 116.580 114.504 2.076 19974 6120 1 8 . 1 1 55 55 LYS HA H 55 3.954 3.954 3.874 0.080 19974 6121 1 8 . 1 1 55 55 LYS C C 55 177.650 177.650 177.287 0.363 19974 6122 1 8 . 1 1 55 55 LYS CA C 55 56.630 56.630 56.998 -0.368 19974 6123 1 8 . 1 1 55 55 LYS CB C 55 28.110 28.110 29.805 -1.695 19974 6124 1 8 . 1 1 55 55 LYS H H 55 7.953 7.953 7.267 0.686 19974 6125 1 8 . 1 1 56 56 MET N N 56 114.460 114.460 116.888 -2.428 19974 6126 1 8 . 1 1 56 56 MET HA H 56 3.624 3.624 4.002 -0.378 19974 6127 1 8 . 1 1 56 56 MET C C 56 174.010 174.010 177.048 -3.038 19974 6128 1 8 . 1 1 56 56 MET CA C 56 56.800 56.800 58.952 -2.152 19974 6129 1 8 . 1 1 56 56 MET CB C 56 28.620 28.620 31.778 -3.158 19974 6130 1 8 . 1 1 56 56 MET H H 56 7.496 7.496 7.325 0.171 19974 6131 1 8 . 1 1 57 57 ASP N N 57 113.610 113.610 119.213 -5.603 19974 6132 1 8 . 1 1 57 57 ASP HA H 57 4.490 4.490 4.776 -0.286 19974 6133 1 8 . 1 1 57 57 ASP C C 57 176.060 176.060 177.088 -1.028 19974 6134 1 8 . 1 1 57 57 ASP CA C 57 53.030 53.030 55.522 -2.492 19974 6135 1 8 . 1 1 57 57 ASP CB C 57 38.940 38.940 40.785 -1.845 19974 6136 1 8 . 1 1 57 57 ASP H H 57 8.921 8.921 8.453 0.468 19974 6137 1 8 . 1 1 58 58 ASN N N 58 119.880 119.880 118.764 1.116 19974 6138 1 8 . 1 1 58 58 ASN HA H 58 4.885 4.885 4.658 0.227 19974 6139 1 8 . 1 1 58 58 ASN C C 58 174.060 174.060 174.224 -0.164 19974 6140 1 8 . 1 1 58 58 ASN CA C 58 52.190 52.190 53.165 -0.975 19974 6141 1 8 . 1 1 58 58 ASN CB C 58 37.230 37.230 37.905 -0.675 19974 6142 1 8 . 1 1 58 58 ASN H H 58 7.070 7.070 7.573 -0.503 19974 6143 1 8 . 1 1 59 59 THR N N 59 108.570 108.570 110.061 -1.491 19974 6144 1 8 . 1 1 59 59 THR HA H 59 4.449 4.449 4.902 -0.453 19974 6145 1 8 . 1 1 59 59 THR C C 59 175.810 175.810 174.519 1.291 19974 6146 1 8 . 1 1 59 59 THR CA C 59 59.600 59.600 59.589 0.011 19974 6147 1 8 . 1 1 59 59 THR CB C 59 70.900 70.900 72.077 -1.177 19974 6148 1 8 . 1 1 59 59 THR H H 59 7.636 7.636 7.630 0.006 19974 6149 1 8 . 1 1 60 60 LYS N N 60 126.400 126.400 122.469 3.931 19974 6150 1 8 . 1 1 60 60 LYS HA H 60 3.923 3.923 4.142 -0.219 19974 6151 1 8 . 1 1 60 60 LYS C C 60 179.030 179.030 177.386 1.644 19974 6152 1 8 . 1 1 60 60 LYS CA C 60 59.600 59.600 58.766 0.834 19974 6153 1 8 . 1 1 60 60 LYS CB C 60 32.480 32.480 32.479 0.001 19974 6154 1 8 . 1 1 60 60 LYS H H 60 10.322 10.322 9.152 1.170 19974 6155 1 8 . 1 1 61 61 LEU N N 61 114.780 114.780 117.231 -2.451 19974 6156 1 8 . 1 1 61 61 LEU HA H 61 4.430 4.430 4.358 0.072 19974 6157 1 8 . 1 1 61 61 LEU C C 61 175.660 175.660 176.111 -0.451 19974 6158 1 8 . 1 1 61 61 LEU CA C 61 52.830 52.830 54.265 -1.435 19974 6159 1 8 . 1 1 61 61 LEU CB C 61 40.470 40.470 42.269 -1.799 19974 6160 1 8 . 1 1 61 61 LEU H H 61 8.555 8.555 7.912 0.643 19974 6161 1 8 . 1 1 62 62 GLN N N 62 116.490 116.490 114.054 2.436 19974 6162 1 8 . 1 1 62 62 GLN HA H 62 3.715 3.715 3.932 -0.217 19974 6163 1 8 . 1 1 62 62 GLN C C 62 175.060 175.060 174.854 0.206 19974 6164 1 8 . 1 1 62 62 GLN CA C 62 56.440 56.440 56.405 0.035 19974 6165 1 8 . 1 1 62 62 GLN CB C 62 26.480 26.480 26.248 0.232 19974 6166 1 8 . 1 1 62 62 GLN H H 62 7.526 7.526 8.137 -0.611 19974 6167 1 8 . 1 1 63 63 ASN N N 63 114.760 114.760 115.552 -0.792 19974 6168 1 8 . 1 1 63 63 ASN HA H 63 4.352 4.352 4.917 -0.565 19974 6169 1 8 . 1 1 63 63 ASN C C 63 173.790 173.790 174.885 -1.095 19974 6170 1 8 . 1 1 63 63 ASN CA C 63 50.680 50.680 52.294 -1.614 19974 6171 1 8 . 1 1 63 63 ASN CB C 63 35.110 35.110 39.539 -4.429 19974 6172 1 8 . 1 1 63 63 ASN H H 63 8.243 8.243 7.885 0.358 19974 6173 1 8 . 1 1 64 64 GLY N N 64 105.820 105.820 108.258 -2.438 19974 6174 1 8 . 1 1 64 64 GLY C C 64 172.650 172.650 173.139 -0.489 19974 6175 1 8 . 1 1 64 64 GLY CA C 64 44.136 44.136 45.248 -1.112 19974 6176 1 8 . 1 1 64 64 GLY H H 64 8.618 8.618 8.309 0.309 19974 6177 1 8 . 1 1 65 65 VAL N N 65 120.490 120.490 125.153 -4.663 19974 6178 1 8 . 1 1 65 65 VAL HA H 65 4.814 4.814 4.888 -0.074 19974 6179 1 8 . 1 1 65 65 VAL C C 65 172.610 172.610 174.323 -1.713 19974 6180 1 8 . 1 1 65 65 VAL CA C 65 60.890 60.890 61.475 -0.585 19974 6181 1 8 . 1 1 65 65 VAL CB C 65 35.570 35.570 34.508 1.062 19974 6182 1 8 . 1 1 65 65 VAL H H 65 9.053 9.053 9.262 -0.209 19974 6183 1 8 . 1 1 66 66 LEU N N 66 127.740 127.740 128.717 -0.977 19974 6184 1 8 . 1 1 66 66 LEU HA H 66 5.097 5.097 5.345 -0.248 19974 6185 1 8 . 1 1 66 66 LEU C C 66 175.120 175.120 174.982 0.138 19974 6186 1 8 . 1 1 66 66 LEU CA C 66 51.870 51.870 53.256 -1.386 19974 6187 1 8 . 1 1 66 66 LEU CB C 66 47.520 47.520 46.429 1.091 19974 6188 1 8 . 1 1 66 66 LEU H H 66 9.245 9.245 9.517 -0.272 19974 6189 1 8 . 1 1 67 67 ILE N N 67 126.030 126.030 127.706 -1.676 19974 6190 1 8 . 1 1 67 67 ILE HA H 67 4.484 4.484 4.878 -0.394 19974 6191 1 8 . 1 1 67 67 ILE C C 67 173.290 173.290 175.082 -1.792 19974 6192 1 8 . 1 1 67 67 ILE CA C 67 61.090 61.090 60.271 0.819 19974 6193 1 8 . 1 1 67 67 ILE CB C 67 37.480 37.480 38.191 -0.711 19974 6194 1 8 . 1 1 67 67 ILE H H 67 8.974 8.974 8.738 0.236 19974 6195 1 8 . 1 1 68 68 TYR N N 68 129.400 129.400 130.190 -0.790 19974 6196 1 8 . 1 1 68 68 TYR HA H 68 4.887 4.887 5.097 -0.210 19974 6197 1 8 . 1 1 68 68 TYR C C 68 174.140 174.140 174.097 0.043 19974 6198 1 8 . 1 1 68 68 TYR CA C 68 56.990 56.990 57.990 -1.000 19974 6199 1 8 . 1 1 68 68 TYR CB C 68 40.790 40.790 39.302 1.488 19974 6200 1 8 . 1 1 68 68 TYR H H 68 8.999 8.999 8.490 0.509 19974 6201 1 8 . 1 1 69 69 VAL N N 69 126.790 126.790 128.628 -1.838 19974 6202 1 8 . 1 1 69 69 VAL HA H 69 4.401 4.401 4.696 -0.295 19974 6203 1 8 . 1 1 69 69 VAL C C 69 172.350 172.350 173.666 -1.316 19974 6204 1 8 . 1 1 69 69 VAL CA C 69 60.810 60.810 60.523 0.287 19974 6205 1 8 . 1 1 69 69 VAL CB C 69 34.360 34.360 35.219 -0.859 19974 6206 1 8 . 1 1 69 69 VAL H H 69 8.378 8.378 8.975 -0.597 19974 6207 1 8 . 1 1 70 70 ALA N N 70 129.770 129.770 129.873 -0.103 19974 6208 1 8 . 1 1 70 70 ALA HA H 70 4.592 4.592 5.029 -0.437 19974 6209 1 8 . 1 1 70 70 ALA C C 70 177.620 177.620 177.860 -0.240 19974 6210 1 8 . 1 1 70 70 ALA CA C 70 49.210 49.210 50.095 -0.885 19974 6211 1 8 . 1 1 70 70 ALA CB C 70 17.470 17.470 19.074 -1.604 19974 6212 1 8 . 1 1 70 70 ALA H H 70 8.078 8.078 8.904 -0.826 19974 6213 1 8 . 1 1 71 71 VAL N N 71 120.880 120.880 120.077 0.803 19974 6214 1 8 . 1 1 71 71 VAL HA H 71 2.847 2.847 3.539 -0.692 19974 6215 1 8 . 1 1 71 71 VAL C C 71 178.310 178.310 176.592 1.718 19974 6216 1 8 . 1 1 71 71 VAL CA C 71 66.030 66.030 64.594 1.436 19974 6217 1 8 . 1 1 71 71 VAL CB C 71 32.110 32.110 31.107 1.003 19974 6218 1 8 . 1 1 71 71 VAL H H 71 8.597 8.597 8.559 0.038 19974 6219 1 8 . 1 1 72 72 GLU N N 72 119.350 119.350 121.419 -2.069 19974 6220 1 8 . 1 1 72 72 GLU HA H 72 3.955 3.955 4.156 -0.201 19974 6221 1 8 . 1 1 72 72 GLU C C 72 177.650 177.650 178.038 -0.388 19974 6222 1 8 . 1 1 72 72 GLU CA C 72 59.260 59.260 58.494 0.766 19974 6223 1 8 . 1 1 72 72 GLU CB C 72 28.940 28.940 30.041 -1.101 19974 6224 1 8 . 1 1 72 72 GLU H H 72 9.107 9.107 7.961 1.146 19974 6225 1 8 . 1 1 73 73 ASP N N 73 115.250 115.250 117.376 -2.126 19974 6226 1 8 . 1 1 73 73 ASP HA H 73 4.544 4.544 4.697 -0.153 19974 6227 1 8 . 1 1 73 73 ASP C C 73 175.460 175.460 176.144 -0.684 19974 6228 1 8 . 1 1 73 73 ASP CA C 73 54.030 54.030 54.208 -0.178 19974 6229 1 8 . 1 1 73 73 ASP CB C 73 41.350 41.350 41.339 0.011 19974 6230 1 8 . 1 1 73 73 ASP H H 73 7.039 7.039 7.837 -0.798 19974 6231 1 8 . 1 1 74 74 LYS N N 74 115.850 115.850 117.746 -1.896 19974 6232 1 8 . 1 1 74 74 LYS HA H 74 3.502 3.502 4.022 -0.520 19974 6233 1 8 . 1 1 74 74 LYS C C 74 174.920 174.920 175.410 -0.490 19974 6234 1 8 . 1 1 74 74 LYS CA C 74 57.180 57.180 57.575 -0.395 19974 6235 1 8 . 1 1 74 74 LYS CB C 74 29.100 29.100 30.494 -1.394 19974 6236 1 8 . 1 1 74 74 LYS H H 74 8.012 8.012 8.272 -0.260 19974 6237 1 8 . 1 1 75 75 THR N N 75 111.710 111.710 108.628 3.082 19974 6238 1 8 . 1 1 75 75 THR HA H 75 4.725 4.725 4.990 -0.265 19974 6239 1 8 . 1 1 75 75 THR C C 75 172.150 172.150 172.992 -0.842 19974 6240 1 8 . 1 1 75 75 THR CA C 75 60.740 60.740 60.188 0.552 19974 6241 1 8 . 1 1 75 75 THR CB C 75 70.900 70.900 71.459 -0.559 19974 6242 1 8 . 1 1 75 75 THR H H 75 7.763 7.763 7.750 0.013 19974 6243 1 8 . 1 1 76 76 PHE N N 76 117.220 117.220 118.080 -0.860 19974 6244 1 8 . 1 1 76 76 PHE HA H 76 5.968 5.968 5.810 0.158 19974 6245 1 8 . 1 1 76 76 PHE C C 76 173.250 173.250 173.489 -0.239 19974 6246 1 8 . 1 1 76 76 PHE CA C 76 54.920 54.920 55.726 -0.806 19974 6247 1 8 . 1 1 76 76 PHE CB C 76 42.780 42.780 41.934 0.845 19974 6248 1 8 . 1 1 76 76 PHE H H 76 7.992 7.992 8.354 -0.362 19974 6249 1 8 . 1 1 77 77 VAL N N 77 120.030 120.030 121.438 -1.408 19974 6250 1 8 . 1 1 77 77 VAL HA H 77 4.015 4.015 4.463 -0.448 19974 6251 1 8 . 1 1 77 77 VAL C C 77 173.310 173.310 174.460 -1.150 19974 6252 1 8 . 1 1 77 77 VAL CA C 77 60.840 60.840 60.952 -0.112 19974 6253 1 8 . 1 1 77 77 VAL CB C 77 37.410 37.410 35.910 1.500 19974 6254 1 8 . 1 1 77 77 VAL H H 77 9.447 9.447 9.227 0.220 19974 6255 1 8 . 1 1 78 78 ILE N N 78 125.240 125.240 124.052 1.188 19974 6256 1 8 . 1 1 78 78 ILE HA H 78 4.433 4.433 4.931 -0.498 19974 6257 1 8 . 1 1 78 78 ILE C C 78 174.090 174.090 174.739 -0.649 19974 6258 1 8 . 1 1 78 78 ILE CA C 78 60.081 60.081 60.018 0.063 19974 6259 1 8 . 1 1 78 78 ILE CB C 78 38.340 38.340 39.916 -1.576 19974 6260 1 8 . 1 1 78 78 ILE H H 78 8.155 8.155 8.278 -0.123 19974 6261 1 8 . 1 1 79 79 TYR N N 79 130.130 130.130 126.415 3.715 19974 6262 1 8 . 1 1 79 79 TYR HA H 79 4.422 4.422 4.977 -0.555 19974 6263 1 8 . 1 1 79 79 TYR C C 79 172.740 172.740 173.273 -0.533 19974 6264 1 8 . 1 1 79 79 TYR CA C 79 57.390 57.390 57.250 0.140 19974 6265 1 8 . 1 1 79 79 TYR CB C 79 40.820 40.820 42.574 -1.754 19974 6266 1 8 . 1 1 79 79 TYR H H 79 9.328 9.328 8.978 0.350 19974 6267 1 8 . 1 1 80 80 GLY N N 80 114.140 114.140 111.784 2.356 19974 6268 1 8 . 1 1 80 80 GLY C C 80 171.090 171.090 172.833 -1.743 19974 6269 1 8 . 1 1 80 80 GLY CA C 80 42.860 42.860 43.770 -0.910 19974 6270 1 8 . 1 1 80 80 GLY H H 80 7.837 7.837 7.858 -0.021 19974 6271 1 8 . 1 1 81 81 ASP N N 81 115.660 115.660 120.290 -4.630 19974 6272 1 8 . 1 1 81 81 ASP HA H 81 4.248 4.248 4.461 -0.213 19974 6273 1 8 . 1 1 81 81 ASP C C 81 176.980 176.980 177.123 -0.143 19974 6274 1 8 . 1 1 81 81 ASP CA C 81 51.950 51.950 53.864 -1.914 19974 6275 1 8 . 1 1 81 81 ASP CB C 81 41.260 41.260 42.673 -1.413 19974 6276 1 8 . 1 1 81 81 ASP H H 81 7.633 7.633 8.389 -0.756 19974 6277 1 8 . 1 1 82 82 LYS N N 82 120.470 120.470 122.283 -1.813 19974 6278 1 8 . 1 1 82 82 LYS HA H 82 3.764 3.764 3.900 -0.136 19974 6279 1 8 . 1 1 82 82 LYS C C 82 176.350 176.350 178.404 -2.054 19974 6280 1 8 . 1 1 82 82 LYS CA C 82 59.290 59.290 59.678 -0.388 19974 6281 1 8 . 1 1 82 82 LYS CB C 82 33.720 33.720 32.554 1.166 19974 6282 1 8 . 1 1 82 82 LYS H H 82 9.212 9.212 8.902 0.310 19974 6283 1 8 . 1 1 83 83 GLY N N 83 105.260 105.260 106.904 -1.644 19974 6284 1 8 . 1 1 83 83 GLY C C 83 176.540 176.540 176.234 0.306 19974 6285 1 8 . 1 1 83 83 GLY CA C 83 46.260 46.260 47.006 -0.746 19974 6286 1 8 . 1 1 83 83 GLY H H 83 8.367 8.367 8.070 0.297 19974 6287 1 8 . 1 1 84 84 ILE N N 84 117.510 117.510 122.964 -5.454 19974 6288 1 8 . 1 1 84 84 ILE HA H 84 3.644 3.644 3.565 0.079 19974 6289 1 8 . 1 1 84 84 ILE C C 84 177.010 177.010 177.607 -0.597 19974 6290 1 8 . 1 1 84 84 ILE CA C 84 63.636 63.636 65.637 -2.001 19974 6291 1 8 . 1 1 84 84 ILE CB C 84 38.820 38.820 37.967 0.853 19974 6292 1 8 . 1 1 84 84 ILE H H 84 7.040 7.040 7.486 -0.446 19974 6293 1 8 . 1 1 85 85 ASN N N 85 117.400 117.400 116.454 0.946 19974 6294 1 8 . 1 1 85 85 ASN HA H 85 4.115 4.115 4.436 -0.321 19974 6295 1 8 . 1 1 85 85 ASN C C 85 176.600 176.600 176.570 0.030 19974 6296 1 8 . 1 1 85 85 ASN CA C 85 55.840 55.840 56.188 -0.348 19974 6297 1 8 . 1 1 85 85 ASN CB C 85 37.720 37.720 38.299 -0.579 19974 6298 1 8 . 1 1 85 85 ASN H H 85 7.351 7.351 7.874 -0.523 19974 6299 1 8 . 1 1 86 86 ASP N N 86 115.890 115.890 118.261 -2.371 19974 6300 1 8 . 1 1 86 86 ASP HA H 86 4.391 4.391 4.618 -0.227 19974 6301 1 8 . 1 1 86 86 ASP C C 86 177.240 177.240 177.093 0.147 19974 6302 1 8 . 1 1 86 86 ASP CA C 86 56.260 56.260 56.200 0.060 19974 6303 1 8 . 1 1 86 86 ASP CB C 86 41.200 41.200 41.149 0.051 19974 6304 1 8 . 1 1 86 86 ASP H H 86 8.377 8.377 8.058 0.319 19974 6305 1 8 . 1 1 87 87 VAL N N 87 109.640 109.640 118.179 -8.539 19974 6306 1 8 . 1 1 87 87 VAL HA H 87 4.473 4.473 4.080 0.393 19974 6307 1 8 . 1 1 87 87 VAL C C 87 175.780 175.780 175.387 0.393 19974 6308 1 8 . 1 1 87 87 VAL CA C 87 61.320 61.320 63.258 -1.938 19974 6309 1 8 . 1 1 87 87 VAL CB C 87 34.170 34.170 33.217 0.953 19974 6310 1 8 . 1 1 87 87 VAL H H 87 7.196 7.196 7.675 -0.479 19974 6311 1 8 . 1 1 88 88 VAL N N 88 113.200 113.200 112.073 1.127 19974 6312 1 8 . 1 1 88 88 VAL HA H 88 3.789 3.789 4.243 -0.454 19974 6313 1 8 . 1 1 88 88 VAL C C 88 175.760 175.760 174.178 1.582 19974 6314 1 8 . 1 1 88 88 VAL CA C 88 60.640 60.640 59.137 1.503 19974 6315 1 8 . 1 1 88 88 VAL CB C 88 32.970 32.970 33.654 -0.683 19974 6316 1 8 . 1 1 88 88 VAL H H 88 6.921 6.921 7.708 -0.787 19974 6317 1 8 . 1 1 89 89 SER N N 89 114.460 114.460 115.096 -0.636 19974 6318 1 8 . 1 1 89 89 SER HA H 89 4.546 4.546 4.735 -0.189 19974 6319 1 8 . 1 1 89 89 SER C C 89 175.720 175.720 175.244 0.476 19974 6320 1 8 . 1 1 89 89 SER CA C 89 57.330 57.330 56.703 0.627 19974 6321 1 8 . 1 1 89 89 SER CB C 89 64.500 64.500 65.995 -1.495 19974 6322 1 8 . 1 1 89 89 SER H H 89 7.738 7.738 8.203 -0.465 19974 6323 1 8 . 1 1 90 90 ASP N N 90 120.250 120.250 120.933 -0.683 19974 6324 1 8 . 1 1 90 90 ASP HA H 90 4.361 4.361 4.403 -0.042 19974 6325 1 8 . 1 1 90 90 ASP C C 90 176.630 176.630 178.110 -1.480 19974 6326 1 8 . 1 1 90 90 ASP CA C 90 57.050 57.050 57.234 -0.184 19974 6327 1 8 . 1 1 90 90 ASP CB C 90 40.540 40.540 40.413 0.127 19974 6328 1 8 . 1 1 90 90 ASP H H 90 8.687 8.687 8.910 -0.223 19974 6329 1 8 . 1 1 91 91 ASP N N 91 116.800 116.800 118.908 -2.108 19974 6330 1 8 . 1 1 91 91 ASP HA H 91 4.605 4.605 4.560 0.045 19974 6331 1 8 . 1 1 91 91 ASP C C 91 177.610 177.610 178.243 -0.633 19974 6332 1 8 . 1 1 91 91 ASP CA C 91 52.890 52.890 56.513 -3.623 19974 6333 1 8 . 1 1 91 91 ASP CB C 91 40.230 40.230 40.679 -0.449 19974 6334 1 8 . 1 1 91 91 ASP H H 91 8.250 8.250 8.279 -0.029 19974 6335 1 8 . 1 1 92 92 PHE N N 92 122.130 122.130 121.669 0.461 19974 6336 1 8 . 1 1 92 92 PHE HA H 92 3.857 3.857 4.331 -0.474 19974 6337 1 8 . 1 1 92 92 PHE C C 92 177.040 177.040 176.672 0.368 19974 6338 1 8 . 1 1 92 92 PHE CA C 92 61.910 61.910 60.932 0.978 19974 6339 1 8 . 1 1 92 92 PHE CB C 92 40.696 40.696 39.343 1.353 19974 6340 1 8 . 1 1 92 92 PHE H H 92 7.564 7.564 7.715 -0.151 19974 6341 1 8 . 1 1 93 93 TRP N N 93 113.980 113.980 118.907 -4.927 19974 6342 1 8 . 1 1 93 93 TRP HA H 93 4.726 4.726 4.627 0.099 19974 6343 1 8 . 1 1 93 93 TRP C C 93 176.420 176.420 178.064 -1.644 19974 6344 1 8 . 1 1 93 93 TRP CA C 93 56.020 56.020 59.371 -3.351 19974 6345 1 8 . 1 1 93 93 TRP CB C 93 29.990 29.990 29.177 0.813 19974 6346 1 8 . 1 1 93 93 TRP H H 93 8.532 8.532 7.863 0.669 19974 6347 1 8 . 1 1 94 94 ASP N N 94 122.120 122.120 119.771 2.349 19974 6348 1 8 . 1 1 94 94 ASP HA H 94 4.228 4.228 4.471 -0.243 19974 6349 1 8 . 1 1 94 94 ASP C C 94 178.550 178.550 178.300 0.250 19974 6350 1 8 . 1 1 94 94 ASP CA C 94 59.120 59.120 58.278 0.842 19974 6351 1 8 . 1 1 94 94 ASP CB C 94 39.140 39.140 40.638 -1.498 19974 6352 1 8 . 1 1 94 94 ASP H H 94 7.904 7.904 8.433 -0.529 19974 6353 1 8 . 1 1 95 95 THR N N 95 111.200 111.200 114.983 -3.783 19974 6354 1 8 . 1 1 95 95 THR HA H 95 4.004 4.004 3.957 0.047 19974 6355 1 8 . 1 1 95 95 THR C C 95 177.630 177.630 176.554 1.076 19974 6356 1 8 . 1 1 95 95 THR CA C 95 65.560 65.560 67.281 -1.721 19974 6357 1 8 . 1 1 95 95 THR CB C 95 68.230 68.230 68.483 -0.253 19974 6358 1 8 . 1 1 95 95 THR H H 95 8.559 8.559 8.193 0.366 19974 6359 1 8 . 1 1 96 96 THR N N 96 123.230 123.230 118.392 4.838 19974 6360 1 8 . 1 1 96 96 THR HA H 96 3.725 3.725 3.864 -0.139 19974 6361 1 8 . 1 1 96 96 THR C C 96 175.410 175.410 176.634 -1.224 19974 6362 1 8 . 1 1 96 96 THR CA C 96 68.286 68.286 66.745 1.541 19974 6363 1 8 . 1 1 96 96 THR CB C 96 68.200 68.200 68.422 -0.223 19974 6364 1 8 . 1 1 96 96 THR H H 96 7.991 7.991 7.469 0.522 19974 6365 1 8 . 1 1 97 97 ARG N N 97 119.960 119.960 121.397 -1.437 19974 6366 1 8 . 1 1 97 97 ARG HA H 97 3.829 3.829 4.124 -0.295 19974 6367 1 8 . 1 1 97 97 ARG C C 97 178.320 178.320 178.816 -0.496 19974 6368 1 8 . 1 1 97 97 ARG CA C 97 60.390 60.390 60.093 0.297 19974 6369 1 8 . 1 1 97 97 ARG CB C 97 29.870 29.870 30.273 -0.403 19974 6370 1 8 . 1 1 97 97 ARG H H 97 8.825 8.825 8.146 0.679 19974 6371 1 8 . 1 1 98 98 ASN N N 98 115.680 115.680 117.855 -2.175 19974 6372 1 8 . 1 1 98 98 ASN HA H 98 4.390 4.390 4.565 -0.175 19974 6373 1 8 . 1 1 98 98 ASN C C 98 176.620 176.620 177.554 -0.934 19974 6374 1 8 . 1 1 98 98 ASN CA C 98 56.050 56.050 55.803 0.247 19974 6375 1 8 . 1 1 98 98 ASN CB C 98 38.220 38.220 38.094 0.126 19974 6376 1 8 . 1 1 98 98 ASN H H 98 8.508 8.508 8.589 -0.081 19974 6377 1 8 . 1 1 99 99 ALA N N 99 120.830 120.830 123.696 -2.866 19974 6378 1 8 . 1 1 99 99 ALA HA H 99 4.020 4.020 4.075 -0.055 19974 6379 1 8 . 1 1 99 99 ALA C C 99 179.800 179.800 179.493 0.307 19974 6380 1 8 . 1 1 99 99 ALA CA C 99 54.770 54.770 55.068 -0.298 19974 6381 1 8 . 1 1 99 99 ALA CB C 99 18.110 18.110 18.434 -0.324 19974 6382 1 8 . 1 1 99 99 ALA H H 99 7.447 7.447 8.086 -0.639 19974 6383 1 8 . 1 1 100 100 ILE N N 100 116.240 116.240 119.235 -2.995 19974 6384 1 8 . 1 1 100 100 ILE HA H 100 3.203 3.203 3.557 -0.354 19974 6385 1 8 . 1 1 100 100 ILE C C 100 178.050 178.050 177.689 0.361 19974 6386 1 8 . 1 1 100 100 ILE CA C 100 64.550 64.550 65.095 -0.545 19974 6387 1 8 . 1 1 100 100 ILE CB C 100 37.640 37.640 37.270 0.369 19974 6388 1 8 . 1 1 100 100 ILE H H 100 7.339 7.339 7.598 -0.259 19974 6389 1 8 . 1 1 101 101 GLN N N 101 118.750 118.750 119.380 -0.630 19974 6390 1 8 . 1 1 101 101 GLN HA H 101 3.917 3.917 3.902 0.015 19974 6391 1 8 . 1 1 101 101 GLN C C 101 177.870 177.870 178.266 -0.396 19974 6392 1 8 . 1 1 101 101 GLN CA C 101 59.200 59.200 59.352 -0.152 19974 6393 1 8 . 1 1 101 101 GLN CB C 101 28.860 28.860 28.950 -0.089 19974 6394 1 8 . 1 1 101 101 GLN H H 101 8.359 8.359 8.252 0.107 19974 6395 1 8 . 1 1 102 102 LEU N N 102 117.790 117.790 120.111 -2.321 19974 6396 1 8 . 1 1 102 102 LEU HA H 102 3.951 3.951 4.130 -0.179 19974 6397 1 8 . 1 1 102 102 LEU C C 102 179.550 179.550 179.271 0.279 19974 6398 1 8 . 1 1 102 102 LEU CA C 102 58.190 58.190 58.099 0.090 19974 6399 1 8 . 1 1 102 102 LEU CB C 102 42.320 42.320 41.518 0.802 19974 6400 1 8 . 1 1 102 102 LEU H H 102 8.119 8.119 7.831 0.288 19974 6401 1 8 . 1 1 103 103 GLN N N 103 113.650 113.650 118.017 -4.367 19974 6402 1 8 . 1 1 103 103 GLN HA H 103 4.426 4.426 4.100 0.326 19974 6403 1 8 . 1 1 103 103 GLN C C 103 179.680 179.680 179.027 0.653 19974 6404 1 8 . 1 1 103 103 GLN CA C 103 56.550 56.550 58.243 -1.693 19974 6405 1 8 . 1 1 103 103 GLN CB C 103 27.480 27.480 28.331 -0.851 19974 6406 1 8 . 1 1 103 103 GLN H H 103 6.636 6.636 7.647 -1.011 19974 6407 1 8 . 1 1 104 104 PHE N N 104 123.740 123.740 120.828 2.912 19974 6408 1 8 . 1 1 104 104 PHE HA H 104 3.895 3.895 4.162 -0.267 19974 6409 1 8 . 1 1 104 104 PHE C C 104 180.130 180.130 177.785 2.345 19974 6410 1 8 . 1 1 104 104 PHE CA C 104 59.760 59.760 61.280 -1.520 19974 6411 1 8 . 1 1 104 104 PHE CB C 104 36.620 36.620 38.843 -2.224 19974 6412 1 8 . 1 1 104 104 PHE H H 104 9.161 9.161 8.743 0.418 19974 6413 1 8 . 1 1 105 105 LYS N N 105 119.280 119.280 118.858 0.422 19974 6414 1 8 . 1 1 105 105 LYS HA H 105 4.126 4.126 3.990 0.136 19974 6415 1 8 . 1 1 105 105 LYS C C 105 177.290 177.290 178.388 -1.098 19974 6416 1 8 . 1 1 105 105 LYS CA C 105 58.913 58.913 59.188 -0.275 19974 6417 1 8 . 1 1 105 105 LYS CB C 105 31.920 31.920 32.429 -0.510 19974 6418 1 8 . 1 1 105 105 LYS H H 105 8.519 8.519 8.214 0.305 19974 6419 1 8 . 1 1 106 106 GLN N N 106 114.530 114.530 116.354 -1.824 19974 6420 1 8 . 1 1 106 106 GLN HA H 106 4.415 4.415 4.162 0.253 19974 6421 1 8 . 1 1 106 106 GLN C C 106 175.450 175.450 176.755 -1.305 19974 6422 1 8 . 1 1 106 106 GLN CA C 106 54.850 54.850 56.934 -2.083 19974 6423 1 8 . 1 1 106 106 GLN CB C 106 30.010 30.010 29.378 0.632 19974 6424 1 8 . 1 1 106 106 GLN H H 106 6.934 6.934 7.434 -0.500 19974 6425 1 8 . 1 1 107 107 GLY N N 107 106.800 106.800 105.092 1.708 19974 6426 1 8 . 1 1 107 107 GLY C C 107 173.140 173.140 173.722 -0.582 19974 6427 1 8 . 1 1 107 107 GLY CA C 107 44.930 44.930 44.217 0.713 19974 6428 1 8 . 1 1 107 107 GLY H H 107 7.722 7.722 8.216 -0.494 19974 6429 1 8 . 1 1 108 108 ASN N N 108 120.230 120.230 121.933 -1.703 19974 6430 1 8 . 1 1 108 108 ASN HA H 108 4.827 4.827 4.591 0.236 19974 6431 1 8 . 1 1 108 108 ASN C C 108 174.820 174.820 174.854 -0.034 19974 6432 1 8 . 1 1 108 108 ASN CA C 108 50.520 50.520 51.679 -1.159 19974 6433 1 8 . 1 1 108 108 ASN CB C 108 37.090 37.090 37.034 0.056 19974 6434 1 8 . 1 1 108 108 ASN H H 108 7.654 7.654 7.766 -0.112 19974 6435 1 8 . 1 1 109 109 PHE N N 109 122.130 122.130 121.742 0.388 19974 6436 1 8 . 1 1 109 109 PHE HA H 109 4.038 4.038 3.422 0.616 19974 6437 1 8 . 1 1 109 109 PHE C C 109 177.270 177.270 177.716 -0.446 19974 6438 1 8 . 1 1 109 109 PHE CA C 109 60.670 60.670 61.886 -1.216 19974 6439 1 8 . 1 1 109 109 PHE CB C 109 38.220 38.220 38.197 0.023 19974 6440 1 8 . 1 1 109 109 PHE H H 109 7.231 7.231 6.713 0.518 19974 6441 1 8 . 1 1 110 110 LYS N N 110 118.670 118.670 119.491 -0.821 19974 6442 1 8 . 1 1 110 110 LYS HA H 110 3.610 3.610 4.076 -0.466 19974 6443 1 8 . 1 1 110 110 LYS C C 110 177.680 177.680 178.868 -1.188 19974 6444 1 8 . 1 1 110 110 LYS CA C 110 60.050 60.050 59.962 0.088 19974 6445 1 8 . 1 1 110 110 LYS CB C 110 29.680 29.680 31.629 -1.949 19974 6446 1 8 . 1 1 110 110 LYS H H 110 8.727 8.727 8.422 0.305 19974 6447 1 8 . 1 1 111 111 GLN N N 111 117.980 117.980 117.733 0.247 19974 6448 1 8 . 1 1 111 111 GLN HA H 111 3.491 3.491 4.002 -0.511 19974 6449 1 8 . 1 1 111 111 GLN C C 111 177.640 177.640 178.653 -1.013 19974 6450 1 8 . 1 1 111 111 GLN CA C 111 57.530 57.530 58.860 -1.330 19974 6451 1 8 . 1 1 111 111 GLN CB C 111 28.460 28.460 27.813 0.647 19974 6452 1 8 . 1 1 111 111 GLN H H 111 8.442 8.442 8.336 0.106 19974 6453 1 8 . 1 1 112 112 GLY N N 112 103.740 103.740 107.725 -3.985 19974 6454 1 8 . 1 1 112 112 GLY C C 112 173.970 173.970 176.654 -2.684 19974 6455 1 8 . 1 1 112 112 GLY CA C 112 48.730 48.730 47.198 1.532 19974 6456 1 8 . 1 1 112 112 GLY H H 112 8.196 8.196 8.349 -0.153 19974 6457 1 8 . 1 1 113 113 LEU N N 113 119.640 119.640 122.529 -2.889 19974 6458 1 8 . 1 1 113 113 LEU HA H 113 3.868 3.868 4.033 -0.165 19974 6459 1 8 . 1 1 113 113 LEU C C 113 177.480 177.480 178.909 -1.429 19974 6460 1 8 . 1 1 113 113 LEU CA C 113 58.150 58.150 57.560 0.590 19974 6461 1 8 . 1 1 113 113 LEU CB C 113 41.920 41.920 42.024 -0.104 19974 6462 1 8 . 1 1 113 113 LEU H H 113 7.614 7.614 7.907 -0.293 19974 6463 1 8 . 1 1 114 114 VAL N N 114 118.510 118.510 121.010 -2.500 19974 6464 1 8 . 1 1 114 114 VAL HA H 114 3.269 3.269 3.508 -0.239 19974 6465 1 8 . 1 1 114 114 VAL C C 114 177.330 177.330 177.919 -0.589 19974 6466 1 8 . 1 1 114 114 VAL CA C 114 67.787 67.787 67.341 0.446 19974 6467 1 8 . 1 1 114 114 VAL CB C 114 31.600 31.600 31.594 0.006 19974 6468 1 8 . 1 1 114 114 VAL H H 114 8.284 8.284 8.550 -0.266 19974 6469 1 8 . 1 1 115 115 ASP N N 115 119.440 119.440 118.710 0.730 19974 6470 1 8 . 1 1 115 115 ASP HA H 115 4.261 4.261 4.492 -0.231 19974 6471 1 8 . 1 1 115 115 ASP C C 115 179.840 179.840 178.866 0.974 19974 6472 1 8 . 1 1 115 115 ASP CA C 115 56.950 56.950 56.840 0.110 19974 6473 1 8 . 1 1 115 115 ASP CB C 115 39.840 39.840 40.364 -0.524 19974 6474 1 8 . 1 1 115 115 ASP H H 115 8.724 8.724 8.708 0.016 19974 6475 1 8 . 1 1 116 116 GLY N N 116 107.280 107.280 108.994 -1.714 19974 6476 1 8 . 1 1 116 116 GLY C C 116 174.130 174.130 175.791 -1.661 19974 6477 1 8 . 1 1 116 116 GLY CA C 116 47.190 47.190 46.694 0.496 19974 6478 1 8 . 1 1 116 116 GLY H H 116 8.370 8.370 7.852 0.518 19974 6479 1 8 . 1 1 117 117 ILE N N 117 123.350 123.350 122.581 0.769 19974 6480 1 8 . 1 1 117 117 ILE HA H 117 3.307 3.307 3.563 -0.256 19974 6481 1 8 . 1 1 117 117 ILE C C 117 176.750 176.750 177.311 -0.561 19974 6482 1 8 . 1 1 117 117 ILE CA C 117 66.168 66.168 65.521 0.647 19974 6483 1 8 . 1 1 117 117 ILE CB C 117 37.760 37.760 37.893 -0.133 19974 6484 1 8 . 1 1 117 117 ILE H H 117 8.573 8.573 8.064 0.509 19974 6485 1 8 . 1 1 118 118 GLU N N 118 119.220 119.220 120.361 -1.141 19974 6486 1 8 . 1 1 118 118 GLU HA H 118 4.003 4.003 3.824 0.179 19974 6487 1 8 . 1 1 118 118 GLU C C 118 180.600 180.600 178.730 1.870 19974 6488 1 8 . 1 1 118 118 GLU CA C 118 59.472 59.472 60.158 -0.686 19974 6489 1 8 . 1 1 118 118 GLU CB C 118 29.310 29.310 29.495 -0.185 19974 6490 1 8 . 1 1 118 118 GLU H H 118 7.998 7.998 8.011 -0.013 19974 6491 1 8 . 1 1 119 119 LYS N N 119 118.270 118.270 118.975 -0.705 19974 6492 1 8 . 1 1 119 119 LYS HA H 119 3.897 3.897 4.029 -0.132 19974 6493 1 8 . 1 1 119 119 LYS C C 119 179.040 179.040 178.957 0.083 19974 6494 1 8 . 1 1 119 119 LYS CA C 119 58.090 58.090 58.993 -0.903 19974 6495 1 8 . 1 1 119 119 LYS CB C 119 31.340 31.340 32.296 -0.956 19974 6496 1 8 . 1 1 119 119 LYS H H 119 7.846 7.846 7.436 0.410 19974 6497 1 8 . 1 1 120 120 ALA N N 120 125.280 125.280 122.851 2.429 19974 6498 1 8 . 1 1 120 120 ALA HA H 120 4.195 4.195 3.964 0.231 19974 6499 1 8 . 1 1 120 120 ALA C C 120 180.230 180.230 179.467 0.763 19974 6500 1 8 . 1 1 120 120 ALA CA C 120 55.040 55.040 55.069 -0.028 19974 6501 1 8 . 1 1 120 120 ALA CB C 120 17.380 17.380 18.318 -0.938 19974 6502 1 8 . 1 1 120 120 ALA H H 120 9.092 9.092 8.051 1.041 19974 6503 1 8 . 1 1 121 121 GLY N N 121 104.130 104.130 107.009 -2.879 19974 6504 1 8 . 1 1 121 121 GLY C C 121 174.930 174.930 176.448 -1.518 19974 6505 1 8 . 1 1 121 121 GLY CA C 121 47.590 47.590 47.203 0.387 19974 6506 1 8 . 1 1 121 121 GLY H H 121 8.606 8.606 8.568 0.038 19974 6507 1 8 . 1 1 122 122 MET N N 122 117.000 117.000 120.363 -3.363 19974 6508 1 8 . 1 1 122 122 MET HA H 122 4.183 4.183 4.249 -0.066 19974 6509 1 8 . 1 1 122 122 MET C C 122 178.500 178.500 178.435 0.065 19974 6510 1 8 . 1 1 122 122 MET CA C 122 57.470 57.470 57.122 0.348 19974 6511 1 8 . 1 1 122 122 MET CB C 122 32.200 32.200 31.760 0.440 19974 6512 1 8 . 1 1 122 122 MET H H 122 7.284 7.284 8.387 -1.103 19974 6513 1 8 . 1 1 123 123 ALA N N 123 124.060 124.060 121.652 2.408 19974 6514 1 8 . 1 1 123 123 ALA HA H 123 4.076 4.076 4.279 -0.203 19974 6515 1 8 . 1 1 123 123 ALA C C 123 180.880 180.880 180.574 0.306 19974 6516 1 8 . 1 1 123 123 ALA CA C 123 54.760 54.760 54.618 0.142 19974 6517 1 8 . 1 1 123 123 ALA CB C 123 17.590 17.590 18.465 -0.875 19974 6518 1 8 . 1 1 123 123 ALA H H 123 8.308 8.308 7.999 0.309 19974 6519 1 8 . 1 1 124 124 LEU N N 124 117.060 117.060 120.646 -3.586 19974 6520 1 8 . 1 1 124 124 LEU HA H 124 4.270 4.270 4.254 0.016 19974 6521 1 8 . 1 1 124 124 LEU C C 124 179.170 179.170 179.141 0.029 19974 6522 1 8 . 1 1 124 124 LEU CA C 124 57.840 57.840 58.013 -0.173 19974 6523 1 8 . 1 1 124 124 LEU CB C 124 42.920 42.920 41.894 1.026 19974 6524 1 8 . 1 1 124 124 LEU H H 124 8.871 8.871 8.733 0.138 19974 6525 1 8 . 1 1 125 125 ALA N N 125 120.950 120.950 120.553 0.397 19974 6526 1 8 . 1 1 125 125 ALA HA H 125 3.956 3.956 4.449 -0.493 19974 6527 1 8 . 1 1 125 125 ALA C C 125 177.740 177.740 179.306 -1.566 19974 6528 1 8 . 1 1 125 125 ALA CA C 125 55.220 55.220 54.738 0.482 19974 6529 1 8 . 1 1 125 125 ALA CB C 125 19.180 19.180 18.446 0.734 19974 6530 1 8 . 1 1 125 125 ALA H H 125 7.829 7.829 8.636 -0.807 19974 6531 1 8 . 1 1 126 126 LYS N N 126 113.320 113.320 118.518 -5.198 19974 6532 1 8 . 1 1 126 126 LYS HA H 126 3.798 3.798 4.005 -0.207 19974 6533 1 8 . 1 1 126 126 LYS C C 126 176.550 176.550 178.268 -1.718 19974 6534 1 8 . 1 1 126 126 LYS CA C 126 58.490 58.490 58.882 -0.392 19974 6535 1 8 . 1 1 126 126 LYS CB C 126 32.620 32.620 32.403 0.217 19974 6536 1 8 . 1 1 126 126 LYS H H 126 6.971 6.971 7.769 -0.798 19974 6537 1 8 . 1 1 127 127 TYR N N 127 113.850 113.850 116.421 -2.571 19974 6538 1 8 . 1 1 127 127 TYR HA H 127 4.067 4.067 4.236 -0.169 19974 6539 1 8 . 1 1 127 127 TYR C C 127 174.390 174.390 176.005 -1.615 19974 6540 1 8 . 1 1 127 127 TYR CA C 127 58.770 58.770 60.132 -1.362 19974 6541 1 8 . 1 1 127 127 TYR CB C 127 41.930 41.930 39.558 2.372 19974 6542 1 8 . 1 1 127 127 TYR H H 127 6.817 6.817 7.687 -0.870 19974 6543 1 8 . 1 1 128 128 PHE N N 128 116.130 116.130 117.234 -1.104 19974 6544 1 8 . 1 1 128 128 PHE HA H 128 4.907 4.907 4.973 -0.066 19974 6545 1 8 . 1 1 128 128 PHE C C 128 172.450 172.450 173.803 -1.353 19974 6546 1 8 . 1 1 128 128 PHE CA C 128 55.003 55.003 55.768 -0.765 19974 6547 1 8 . 1 1 128 128 PHE CB C 128 38.550 38.550 39.396 -0.846 19974 6548 1 8 . 1 1 128 128 PHE H H 128 8.688 8.688 8.382 0.306 19974 6549 1 8 . 1 1 129 129 PRO HA H 129 4.680 4.680 4.655 0.025 19974 6550 1 8 . 1 1 129 129 PRO C C 129 175.720 175.720 176.657 -0.937 19974 6551 1 8 . 1 1 129 129 PRO CA C 129 63.382 63.382 62.543 0.839 19974 6552 1 8 . 1 1 129 129 PRO CB C 129 31.810 31.810 32.361 -0.551 19974 6553 1 8 . 1 1 130 130 TRP N N 130 123.170 123.170 127.559 -4.389 19974 6554 1 8 . 1 1 130 130 TRP HA H 130 4.031 4.031 4.672 -0.641 19974 6555 1 8 . 1 1 130 130 TRP C C 130 175.310 175.310 175.912 -0.602 19974 6556 1 8 . 1 1 130 130 TRP CA C 130 59.510 59.510 58.591 0.919 19974 6557 1 8 . 1 1 130 130 TRP CB C 130 29.300 29.300 30.354 -1.054 19974 6558 1 8 . 1 1 130 130 TRP H H 130 7.910 7.910 8.559 -0.649 19974 6559 1 8 . 1 1 131 131 LYS N N 131 127.060 127.060 125.871 1.189 19974 6560 1 8 . 1 1 131 131 LYS HA H 131 4.260 4.260 4.460 -0.200 19974 6561 1 8 . 1 1 131 131 LYS C C 131 174.450 174.450 176.202 -1.752 19974 6562 1 8 . 1 1 131 131 LYS CA C 131 53.240 53.240 53.285 -0.045 19974 6563 1 8 . 1 1 131 131 LYS CB C 131 35.250 35.250 34.362 0.888 19974 6564 1 8 . 1 1 131 131 LYS H H 131 8.097 8.097 8.097 -0.000 19974 6565 1 8 . 1 1 132 132 LYS N N 132 116.250 116.250 122.490 -6.240 19974 6566 1 8 . 1 1 132 132 LYS HA H 132 3.398 3.398 3.564 -0.166 19974 6567 1 8 . 1 1 132 132 LYS C C 132 176.550 176.550 176.158 0.392 19974 6568 1 8 . 1 1 132 132 LYS CA C 132 58.140 58.140 58.394 -0.254 19974 6569 1 8 . 1 1 132 132 LYS CB C 132 31.880 31.880 32.575 -0.695 19974 6570 1 8 . 1 1 132 132 LYS H H 132 7.761 7.761 8.621 -0.860 19974 6571 1 8 . 1 1 133 133 ASP N N 133 116.600 116.600 118.194 -1.594 19974 6572 1 8 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.641 -0.290 19974 6573 1 8 . 1 1 133 133 ASP C C 133 175.320 175.320 175.727 -0.407 19974 6574 1 8 . 1 1 133 133 ASP CA C 133 52.520 52.520 53.389 -0.869 19974 6575 1 8 . 1 1 133 133 ASP CB C 133 38.720 38.720 39.885 -1.165 19974 6576 1 8 . 1 1 133 133 ASP H H 133 7.633 7.633 7.755 -0.122 19974 6577 1 8 . 1 1 134 134 ASP N N 134 119.140 119.140 120.449 -1.309 19974 6578 1 8 . 1 1 134 134 ASP HA H 134 3.989 3.989 4.441 -0.452 19974 6579 1 8 . 1 1 134 134 ASP C C 134 175.500 175.500 175.855 -0.355 19974 6580 1 8 . 1 1 134 134 ASP CA C 134 56.410 56.410 55.241 1.169 19974 6581 1 8 . 1 1 134 134 ASP CB C 134 42.740 42.740 41.661 1.079 19974 6582 1 8 . 1 1 134 134 ASP H H 134 7.251 7.251 7.434 -0.183 19974 6583 1 8 . 1 1 135 135 ILE N N 135 123.230 123.230 117.856 5.374 19974 6584 1 8 . 1 1 135 135 ILE HA H 135 4.301 4.301 4.352 -0.051 19974 6585 1 8 . 1 1 135 135 ILE C C 135 176.300 176.300 174.534 1.766 19974 6586 1 8 . 1 1 135 135 ILE CA C 135 58.640 58.640 59.152 -0.512 19974 6587 1 8 . 1 1 135 135 ILE CB C 135 40.800 40.800 40.361 0.439 19974 6588 1 8 . 1 1 135 135 ILE H H 135 8.351 8.351 8.054 0.297 19974 6589 1 8 . 1 1 136 136 ASP N N 136 131.670 131.670 128.397 3.273 19974 6590 1 8 . 1 1 136 136 ASP HA H 136 5.640 5.640 4.656 0.984 19974 6591 1 8 . 1 1 136 136 ASP C C 136 176.150 176.150 175.934 0.216 19974 6592 1 8 . 1 1 136 136 ASP CA C 136 52.560 52.560 54.269 -1.709 19974 6593 1 8 . 1 1 136 136 ASP CB C 136 38.180 38.180 40.761 -2.581 19974 6594 1 8 . 1 1 136 136 ASP H H 136 9.036 9.036 8.690 0.346 19974 6595 1 8 . 1 1 137 137 GLU N N 137 125.270 125.270 124.463 0.807 19974 6596 1 8 . 1 1 137 137 GLU HA H 137 3.735 3.735 4.298 -0.563 19974 6597 1 8 . 1 1 137 137 GLU C C 137 176.110 176.110 176.340 -0.230 19974 6598 1 8 . 1 1 137 137 GLU CA C 137 59.490 59.490 57.108 2.382 19974 6599 1 8 . 1 1 137 137 GLU CB C 137 32.880 32.880 30.790 2.090 19974 6600 1 8 . 1 1 137 137 GLU H H 137 8.435 8.435 9.156 -0.721 19974 6601 1 8 . 1 1 138 138 LEU N N 138 117.210 117.210 120.150 -2.940 19974 6602 1 8 . 1 1 138 138 LEU HA H 138 4.960 4.960 4.750 0.210 19974 6603 1 8 . 1 1 138 138 LEU C C 138 173.560 173.560 174.587 -1.027 19974 6604 1 8 . 1 1 138 138 LEU CA C 138 50.310 50.310 51.559 -1.250 19974 6605 1 8 . 1 1 138 138 LEU CB C 138 41.350 41.350 42.675 -1.325 19974 6606 1 8 . 1 1 138 138 LEU H H 138 8.308 8.308 8.114 0.194 19974 6607 1 8 . 1 1 139 139 PRO HA H 139 4.335 4.335 4.767 -0.432 19974 6608 1 8 . 1 1 139 139 PRO C C 139 177.700 177.700 176.804 0.896 19974 6609 1 8 . 1 1 139 139 PRO CA C 139 62.550 62.550 61.761 0.789 19974 6610 1 8 . 1 1 139 139 PRO CB C 139 32.520 32.520 33.177 -0.657 19974 6611 1 8 . 1 1 140 140 ASN N N 140 120.930 120.930 117.843 3.087 19974 6612 1 8 . 1 1 140 140 ASN HA H 140 4.730 4.730 4.527 0.203 19974 6613 1 8 . 1 1 140 140 ASN C C 140 174.460 174.460 175.397 -0.937 19974 6614 1 8 . 1 1 140 140 ASN CA C 140 52.790 52.790 53.618 -0.828 19974 6615 1 8 . 1 1 140 140 ASN CB C 140 38.520 38.520 38.017 0.504 19974 6616 1 8 . 1 1 140 140 ASN H H 140 9.213 9.213 8.688 0.525 19974 6617 1 8 . 1 1 141 141 THR N N 141 107.730 107.730 111.300 -3.570 19974 6618 1 8 . 1 1 141 141 THR HA H 141 3.853 3.853 4.321 -0.468 19974 6619 1 8 . 1 1 141 141 THR C C 141 176.410 176.410 174.652 1.758 19974 6620 1 8 . 1 1 141 141 THR CA C 141 61.560 61.560 61.376 0.184 19974 6621 1 8 . 1 1 141 141 THR CB C 141 69.450 69.450 70.041 -0.591 19974 6622 1 8 . 1 1 141 141 THR H H 141 7.003 7.003 7.415 -0.412 19974 6623 1 8 . 1 1 142 142 ILE N N 142 129.530 129.530 120.200 9.330 19974 6624 1 8 . 1 1 142 142 ILE HA H 142 3.976 3.976 4.216 -0.240 19974 6625 1 8 . 1 1 142 142 ILE C C 142 176.020 176.020 176.029 -0.009 19974 6626 1 8 . 1 1 142 142 ILE CA C 142 62.150 62.150 60.574 1.576 19974 6627 1 8 . 1 1 142 142 ILE CB C 142 37.890 37.890 39.279 -1.389 19974 6628 1 8 . 1 1 142 142 ILE H H 142 9.030 9.030 8.090 0.940 19974 6629 1 8 . 1 1 143 143 SER N N 143 124.630 124.630 121.053 3.577 19974 6630 1 8 . 1 1 143 143 SER HA H 143 4.481 4.481 4.613 -0.132 19974 6631 1 8 . 1 1 143 143 SER C C 143 172.920 172.920 173.023 -0.103 19974 6632 1 8 . 1 1 143 143 SER CA C 143 57.120 57.120 57.328 -0.207 19974 6633 1 8 . 1 1 143 143 SER CB C 143 60.710 60.710 65.162 -4.452 19974 6634 1 8 . 1 1 143 143 SER H H 143 8.709 8.709 8.587 0.122 19974 6635 1 8 . 1 1 144 144 LYS N N 144 126.170 126.170 126.626 -0.456 19974 6636 1 8 . 1 1 144 144 LYS HA H 144 4.954 4.954 4.318 0.636 19974 6637 1 8 . 1 1 144 144 LYS C C 144 175.910 175.910 175.553 0.357 19974 6638 1 8 . 1 1 144 144 LYS CA C 144 54.580 54.580 55.529 -0.949 19974 6639 1 8 . 1 1 144 144 LYS CB C 144 35.170 35.170 32.810 2.360 19974 6640 1 8 . 1 1 144 144 LYS H H 144 8.043 8.043 8.458 -0.415 19974 6641 1 9 . 1 1 3 3 LYS HA H 3 4.317 4.317 4.173 0.144 19974 6642 1 9 . 1 1 3 3 LYS C C 3 176.840 176.840 178.167 -1.327 19974 6643 1 9 . 1 1 3 3 LYS CA C 3 56.180 56.180 58.630 -2.450 19974 6644 1 9 . 1 1 3 3 LYS CB C 3 33.030 33.030 32.332 0.698 19974 6645 1 9 . 1 1 4 4 ILE N N 4 122.990 122.990 112.673 10.317 19974 6646 1 9 . 1 1 4 4 ILE HA H 4 3.919 3.919 4.262 -0.343 19974 6647 1 9 . 1 1 4 4 ILE C C 4 176.120 176.120 176.895 -0.775 19974 6648 1 9 . 1 1 4 4 ILE CA C 4 61.530 61.530 62.301 -0.771 19974 6649 1 9 . 1 1 4 4 ILE CB C 4 38.040 38.040 38.568 -0.528 19974 6650 1 9 . 1 1 4 4 ILE H H 4 8.391 8.391 7.641 0.750 19974 6651 1 9 . 1 1 5 5 GLU N N 5 123.430 123.430 120.642 2.788 19974 6652 1 9 . 1 1 5 5 GLU HA H 5 4.116 4.116 4.104 0.012 19974 6653 1 9 . 1 1 5 5 GLU C C 5 175.830 175.830 176.893 -1.063 19974 6654 1 9 . 1 1 5 5 GLU CA C 5 56.900 56.900 58.576 -1.676 19974 6655 1 9 . 1 1 5 5 GLU CB C 5 29.350 29.350 30.457 -1.107 19974 6656 1 9 . 1 1 5 5 GLU H H 5 8.508 8.508 7.880 0.628 19974 6657 1 9 . 1 1 6 6 GLU N N 6 119.490 119.490 117.956 1.534 19974 6658 1 9 . 1 1 6 6 GLU HA H 6 4.128 4.128 4.523 -0.395 19974 6659 1 9 . 1 1 6 6 GLU C C 6 176.270 176.270 175.462 0.808 19974 6660 1 9 . 1 1 6 6 GLU CA C 6 55.700 55.700 55.329 0.371 19974 6661 1 9 . 1 1 6 6 GLU CB C 6 30.190 30.190 31.798 -1.608 19974 6662 1 9 . 1 1 6 6 GLU H H 6 7.843 7.843 7.605 0.238 19974 6663 1 9 . 1 1 7 7 PHE N N 7 121.090 121.090 126.662 -5.572 19974 6664 1 9 . 1 1 7 7 PHE HA H 7 4.284 4.284 4.450 -0.166 19974 6665 1 9 . 1 1 7 7 PHE C C 7 174.810 174.810 174.673 0.137 19974 6666 1 9 . 1 1 7 7 PHE CA C 7 59.660 59.660 59.339 0.321 19974 6667 1 9 . 1 1 7 7 PHE CB C 7 39.990 39.990 39.933 0.057 19974 6668 1 9 . 1 1 7 7 PHE H H 7 8.092 8.092 8.734 -0.642 19974 6669 1 9 . 1 1 8 8 LEU N N 8 116.700 116.700 118.014 -1.314 19974 6670 1 9 . 1 1 8 8 LEU HA H 8 4.792 4.792 4.858 -0.066 19974 6671 1 9 . 1 1 8 8 LEU C C 8 176.940 176.940 176.321 0.619 19974 6672 1 9 . 1 1 8 8 LEU CA C 8 52.730 52.730 52.528 0.202 19974 6673 1 9 . 1 1 8 8 LEU CB C 8 45.650 45.650 45.911 -0.261 19974 6674 1 9 . 1 1 8 8 LEU H H 8 7.721 7.721 7.581 0.140 19974 6675 1 9 . 1 1 9 9 THR N N 9 113.700 113.700 112.379 1.321 19974 6676 1 9 . 1 1 9 9 THR HA H 9 4.397 4.397 4.606 -0.209 19974 6677 1 9 . 1 1 9 9 THR C C 9 175.410 175.410 176.078 -0.668 19974 6678 1 9 . 1 1 9 9 THR CA C 9 60.650 60.650 60.598 0.052 19974 6679 1 9 . 1 1 9 9 THR CB C 9 70.800 70.800 71.459 -0.659 19974 6680 1 9 . 1 1 9 9 THR H H 9 9.224 9.224 8.519 0.705 19974 6681 1 9 . 1 1 10 10 ALA N N 10 123.350 123.350 124.243 -0.893 19974 6682 1 9 . 1 1 10 10 ALA HA H 10 4.036 4.036 3.983 0.053 19974 6683 1 9 . 1 1 10 10 ALA C C 10 181.050 181.050 179.806 1.244 19974 6684 1 9 . 1 1 10 10 ALA CA C 10 55.500 55.500 55.389 0.111 19974 6685 1 9 . 1 1 10 10 ALA CB C 10 17.914 17.914 18.450 -0.536 19974 6686 1 9 . 1 1 10 10 ALA H H 10 8.881 8.881 8.991 -0.110 19974 6687 1 9 . 1 1 11 11 GLU N N 11 117.680 117.680 117.875 -0.195 19974 6688 1 9 . 1 1 11 11 GLU HA H 11 3.949 3.949 3.977 -0.028 19974 6689 1 9 . 1 1 11 11 GLU C C 11 179.500 179.500 179.251 0.249 19974 6690 1 9 . 1 1 11 11 GLU CA C 11 59.490 59.490 59.715 -0.225 19974 6691 1 9 . 1 1 11 11 GLU CB C 11 29.120 29.120 29.309 -0.189 19974 6692 1 9 . 1 1 11 11 GLU H H 11 8.460 8.460 8.797 -0.337 19974 6693 1 9 . 1 1 12 12 GLU N N 12 121.860 121.860 119.283 2.577 19974 6694 1 9 . 1 1 12 12 GLU HA H 12 3.818 3.818 4.157 -0.339 19974 6695 1 9 . 1 1 12 12 GLU C C 12 178.130 178.130 178.871 -0.741 19974 6696 1 9 . 1 1 12 12 GLU CA C 12 59.210 59.210 58.680 0.530 19974 6697 1 9 . 1 1 12 12 GLU CB C 12 30.800 30.800 29.834 0.966 19974 6698 1 9 . 1 1 12 12 GLU H H 12 7.698 7.698 7.824 -0.126 19974 6699 1 9 . 1 1 13 13 GLU N N 13 118.170 118.170 120.516 -2.346 19974 6700 1 9 . 1 1 13 13 GLU HA H 13 3.640 3.640 3.983 -0.343 19974 6701 1 9 . 1 1 13 13 GLU C C 13 178.070 178.070 178.653 -0.583 19974 6702 1 9 . 1 1 13 13 GLU CA C 13 60.539 60.539 59.541 0.998 19974 6703 1 9 . 1 1 13 13 GLU CB C 13 29.130 29.130 29.578 -0.448 19974 6704 1 9 . 1 1 13 13 GLU H H 13 8.493 8.493 8.563 -0.070 19974 6705 1 9 . 1 1 14 14 LYS N N 14 117.980 117.980 119.399 -1.419 19974 6706 1 9 . 1 1 14 14 LYS HA H 14 3.887 3.887 3.976 -0.089 19974 6707 1 9 . 1 1 14 14 LYS C C 14 177.420 177.420 178.688 -1.268 19974 6708 1 9 . 1 1 14 14 LYS CA C 14 59.350 59.350 59.393 -0.043 19974 6709 1 9 . 1 1 14 14 LYS CB C 14 32.200 32.200 32.430 -0.230 19974 6710 1 9 . 1 1 14 14 LYS H H 14 7.650 7.650 8.237 -0.587 19974 6711 1 9 . 1 1 15 15 ALA N N 15 119.210 119.210 120.915 -1.705 19974 6712 1 9 . 1 1 15 15 ALA HA H 15 4.098 4.098 4.138 -0.040 19974 6713 1 9 . 1 1 15 15 ALA C C 15 180.550 180.550 179.645 0.905 19974 6714 1 9 . 1 1 15 15 ALA CA C 15 54.600 54.600 54.724 -0.124 19974 6715 1 9 . 1 1 15 15 ALA CB C 15 17.790 17.790 18.321 -0.531 19974 6716 1 9 . 1 1 15 15 ALA H H 15 7.362 7.362 7.482 -0.120 19974 6717 1 9 . 1 1 16 16 ILE N N 16 119.990 119.990 119.730 0.260 19974 6718 1 9 . 1 1 16 16 ILE HA H 16 3.493 3.493 3.715 -0.222 19974 6719 1 9 . 1 1 16 16 ILE C C 16 176.510 176.510 177.463 -0.953 19974 6720 1 9 . 1 1 16 16 ILE CA C 16 65.072 65.072 64.194 0.878 19974 6721 1 9 . 1 1 16 16 ILE CB C 16 37.580 37.580 38.407 -0.827 19974 6722 1 9 . 1 1 16 16 ILE H H 16 7.592 7.592 7.337 0.255 19974 6723 1 9 . 1 1 17 17 VAL N N 17 121.520 121.520 120.365 1.155 19974 6724 1 9 . 1 1 17 17 VAL HA H 17 3.504 3.504 3.626 -0.122 19974 6725 1 9 . 1 1 17 17 VAL C C 17 178.620 178.620 178.329 0.291 19974 6726 1 9 . 1 1 17 17 VAL CA C 17 67.324 67.324 66.536 0.788 19974 6727 1 9 . 1 1 17 17 VAL CB C 17 31.350 31.350 31.393 -0.043 19974 6728 1 9 . 1 1 17 17 VAL H H 17 8.155 8.155 8.614 -0.459 19974 6729 1 9 . 1 1 18 18 ASP N N 18 120.000 120.000 120.446 -0.446 19974 6730 1 9 . 1 1 18 18 ASP HA H 18 4.223 4.223 4.440 -0.217 19974 6731 1 9 . 1 1 18 18 ASP C C 18 177.980 177.980 177.704 0.276 19974 6732 1 9 . 1 1 18 18 ASP CA C 18 57.050 57.050 57.318 -0.268 19974 6733 1 9 . 1 1 18 18 ASP CB C 18 39.410 39.410 40.947 -1.537 19974 6734 1 9 . 1 1 18 18 ASP H H 18 8.605 8.605 7.728 0.877 19974 6735 1 9 . 1 1 19 19 ALA N N 19 122.620 122.620 122.354 0.266 19974 6736 1 9 . 1 1 19 19 ALA HA H 19 4.194 4.194 4.091 0.103 19974 6737 1 9 . 1 1 19 19 ALA C C 19 180.720 180.720 179.920 0.800 19974 6738 1 9 . 1 1 19 19 ALA CA C 19 54.970 54.970 54.801 0.169 19974 6739 1 9 . 1 1 19 19 ALA CB C 19 17.850 17.850 18.433 -0.583 19974 6740 1 9 . 1 1 19 19 ALA H H 19 7.702 7.702 7.386 0.316 19974 6741 1 9 . 1 1 20 20 ILE N N 20 122.620 122.620 118.358 4.262 19974 6742 1 9 . 1 1 20 20 ILE HA H 20 3.309 3.309 3.582 -0.273 19974 6743 1 9 . 1 1 20 20 ILE C C 20 176.740 176.740 177.937 -1.197 19974 6744 1 9 . 1 1 20 20 ILE CA C 20 66.830 66.830 65.389 1.441 19974 6745 1 9 . 1 1 20 20 ILE CB C 20 38.140 38.140 37.666 0.474 19974 6746 1 9 . 1 1 20 20 ILE H H 20 8.234 8.234 7.716 0.518 19974 6747 1 9 . 1 1 21 21 ARG N N 21 119.660 119.660 117.772 1.888 19974 6748 1 9 . 1 1 21 21 ARG HA H 21 3.899 3.899 4.298 -0.399 19974 6749 1 9 . 1 1 21 21 ARG C C 21 179.540 179.540 178.146 1.394 19974 6750 1 9 . 1 1 21 21 ARG CA C 21 58.990 58.990 59.586 -0.596 19974 6751 1 9 . 1 1 21 21 ARG CB C 21 29.020 29.020 29.896 -0.876 19974 6752 1 9 . 1 1 21 21 ARG H H 21 8.212 8.212 7.610 0.602 19974 6753 1 9 . 1 1 22 22 ASP N N 22 118.640 118.640 116.964 1.676 19974 6754 1 9 . 1 1 22 22 ASP HA H 22 4.239 4.239 4.522 -0.283 19974 6755 1 9 . 1 1 22 22 ASP C C 22 179.190 179.190 176.945 2.245 19974 6756 1 9 . 1 1 22 22 ASP CA C 22 57.270 57.270 55.217 2.053 19974 6757 1 9 . 1 1 22 22 ASP CB C 22 39.770 39.770 41.036 -1.266 19974 6758 1 9 . 1 1 22 22 ASP H H 22 8.137 8.137 7.510 0.627 19974 6759 1 9 . 1 1 23 23 ALA N N 23 126.120 126.120 123.094 3.026 19974 6760 1 9 . 1 1 23 23 ALA HA H 23 4.207 4.207 4.091 0.116 19974 6761 1 9 . 1 1 23 23 ALA C C 23 181.060 181.060 179.514 1.546 19974 6762 1 9 . 1 1 23 23 ALA CA C 23 55.430 55.430 54.642 0.789 19974 6763 1 9 . 1 1 23 23 ALA CB C 23 18.690 18.690 19.522 -0.832 19974 6764 1 9 . 1 1 23 23 ALA H H 23 8.500 8.500 7.671 0.829 19974 6765 1 9 . 1 1 24 24 GLU N N 24 115.460 115.460 118.463 -3.003 19974 6766 1 9 . 1 1 24 24 GLU HA H 24 4.213 4.213 4.059 0.154 19974 6767 1 9 . 1 1 24 24 GLU C C 24 176.390 176.390 178.015 -1.625 19974 6768 1 9 . 1 1 24 24 GLU CA C 24 58.180 58.180 59.054 -0.874 19974 6769 1 9 . 1 1 24 24 GLU CB C 24 28.200 28.200 29.619 -1.419 19974 6770 1 9 . 1 1 24 24 GLU H H 24 8.451 8.451 8.087 0.364 19974 6771 1 9 . 1 1 25 25 LYS N N 25 115.790 115.790 114.860 0.930 19974 6772 1 9 . 1 1 25 25 LYS HA H 25 3.739 3.739 4.013 -0.274 19974 6773 1 9 . 1 1 25 25 LYS C C 25 176.020 176.020 176.349 -0.329 19974 6774 1 9 . 1 1 25 25 LYS CA C 25 56.220 56.220 57.033 -0.813 19974 6775 1 9 . 1 1 25 25 LYS CB C 25 32.070 32.070 32.055 0.015 19974 6776 1 9 . 1 1 25 25 LYS H H 25 7.083 7.083 7.663 -0.580 19974 6777 1 9 . 1 1 26 26 ASN N N 26 115.060 115.060 117.411 -2.351 19974 6778 1 9 . 1 1 26 26 ASN HA H 26 4.749 4.749 4.719 0.030 19974 6779 1 9 . 1 1 26 26 ASN C C 26 174.280 174.280 173.930 0.350 19974 6780 1 9 . 1 1 26 26 ASN CA C 26 53.050 53.050 53.309 -0.259 19974 6781 1 9 . 1 1 26 26 ASN CB C 26 40.410 40.410 41.746 -1.336 19974 6782 1 9 . 1 1 26 26 ASN H H 26 7.931 7.931 8.125 -0.194 19974 6783 1 9 . 1 1 27 27 THR N N 27 113.430 113.430 112.163 1.267 19974 6784 1 9 . 1 1 27 27 THR HA H 27 5.507 5.507 5.016 0.491 19974 6785 1 9 . 1 1 27 27 THR C C 27 170.850 170.850 174.267 -3.417 19974 6786 1 9 . 1 1 27 27 THR CA C 27 57.130 57.130 60.628 -3.498 19974 6787 1 9 . 1 1 27 27 THR CB C 27 70.200 70.200 70.020 0.180 19974 6788 1 9 . 1 1 27 27 THR H H 27 7.619 7.619 7.707 -0.088 19974 6789 1 9 . 1 1 28 28 SER N N 28 119.450 119.450 122.851 -3.401 19974 6790 1 9 . 1 1 28 28 SER HA H 28 4.773 4.773 4.672 0.101 19974 6791 1 9 . 1 1 28 28 SER C C 28 176.330 176.330 174.226 2.104 19974 6792 1 9 . 1 1 28 28 SER CA C 28 58.913 58.913 57.627 1.286 19974 6793 1 9 . 1 1 28 28 SER CB C 28 64.360 64.360 62.214 2.146 19974 6794 1 9 . 1 1 28 28 SER H H 28 7.706 7.706 8.862 -1.156 19974 6795 1 9 . 1 1 29 29 GLY N N 29 111.350 111.350 108.216 3.134 19974 6796 1 9 . 1 1 29 29 GLY C C 29 171.210 171.210 173.196 -1.986 19974 6797 1 9 . 1 1 29 29 GLY CA C 29 44.643 44.643 44.307 0.336 19974 6798 1 9 . 1 1 29 29 GLY H H 29 9.011 9.011 7.577 1.434 19974 6799 1 9 . 1 1 30 30 GLU N N 30 120.620 120.620 123.029 -2.409 19974 6800 1 9 . 1 1 30 30 GLU HA H 30 4.867 4.867 4.857 0.010 19974 6801 1 9 . 1 1 30 30 GLU C C 30 174.500 174.500 174.960 -0.460 19974 6802 1 9 . 1 1 30 30 GLU CA C 30 54.320 54.320 54.860 -0.540 19974 6803 1 9 . 1 1 30 30 GLU CB C 30 34.030 34.030 32.103 1.927 19974 6804 1 9 . 1 1 30 30 GLU H H 30 6.897 6.897 8.713 -1.816 19974 6805 1 9 . 1 1 31 31 ILE N N 31 121.650 121.650 125.042 -3.392 19974 6806 1 9 . 1 1 31 31 ILE HA H 31 5.171 5.171 4.782 0.389 19974 6807 1 9 . 1 1 31 31 ILE C C 31 175.550 175.550 174.468 1.082 19974 6808 1 9 . 1 1 31 31 ILE CA C 31 59.740 59.740 60.335 -0.595 19974 6809 1 9 . 1 1 31 31 ILE CB C 31 42.520 42.520 40.566 1.954 19974 6810 1 9 . 1 1 31 31 ILE H H 31 8.546 8.546 8.784 -0.238 19974 6811 1 9 . 1 1 32 32 ARG N N 32 121.690 121.690 124.654 -2.964 19974 6812 1 9 . 1 1 32 32 ARG HA H 32 4.951 4.951 4.805 0.146 19974 6813 1 9 . 1 1 32 32 ARG C C 32 173.740 173.740 173.761 -0.021 19974 6814 1 9 . 1 1 32 32 ARG CA C 32 55.220 55.220 54.946 0.274 19974 6815 1 9 . 1 1 32 32 ARG CB C 32 34.720 34.720 35.149 -0.429 19974 6816 1 9 . 1 1 32 32 ARG H H 32 8.751 8.751 8.988 -0.237 19974 6817 1 9 . 1 1 33 33 VAL N N 33 120.770 120.770 123.361 -2.591 19974 6818 1 9 . 1 1 33 33 VAL HA H 33 4.972 4.972 4.497 0.475 19974 6819 1 9 . 1 1 33 33 VAL C C 33 173.790 173.790 173.751 0.039 19974 6820 1 9 . 1 1 33 33 VAL CA C 33 59.700 59.700 61.274 -1.574 19974 6821 1 9 . 1 1 33 33 VAL CB C 33 34.820 34.820 34.394 0.426 19974 6822 1 9 . 1 1 33 33 VAL H H 33 8.617 8.617 8.951 -0.334 19974 6823 1 9 . 1 1 34 34 HIS N N 34 125.000 125.000 126.806 -1.806 19974 6824 1 9 . 1 1 34 34 HIS HA H 34 5.743 5.743 5.258 0.485 19974 6825 1 9 . 1 1 34 34 HIS C C 34 172.790 172.790 173.066 -0.276 19974 6826 1 9 . 1 1 34 34 HIS CA C 34 54.370 54.370 54.239 0.131 19974 6827 1 9 . 1 1 34 34 HIS CB C 34 36.840 36.840 32.518 4.322 19974 6828 1 9 . 1 1 34 34 HIS H H 34 8.552 8.552 9.103 -0.551 19974 6829 1 9 . 1 1 35 35 LEU N N 35 124.400 124.400 128.150 -3.750 19974 6830 1 9 . 1 1 35 35 LEU HA H 35 4.800 4.800 4.825 -0.025 19974 6831 1 9 . 1 1 35 35 LEU C C 35 174.490 174.490 174.219 0.271 19974 6832 1 9 . 1 1 35 35 LEU CA C 35 52.190 52.190 53.852 -1.662 19974 6833 1 9 . 1 1 35 35 LEU CB C 35 44.880 44.880 45.447 -0.567 19974 6834 1 9 . 1 1 35 35 LEU H H 35 8.006 8.006 8.590 -0.584 19974 6835 1 9 . 1 1 36 36 GLU N N 36 116.112 116.112 124.719 -8.607 19974 6836 1 9 . 1 1 36 36 GLU HA H 36 4.573 4.573 4.552 0.021 19974 6837 1 9 . 1 1 36 36 GLU C C 36 174.350 174.350 175.193 -0.843 19974 6838 1 9 . 1 1 36 36 GLU CA C 36 54.130 54.130 55.229 -1.099 19974 6839 1 9 . 1 1 36 36 GLU CB C 36 31.960 31.960 33.413 -1.453 19974 6840 1 9 . 1 1 36 36 GLU H H 36 8.235 8.235 8.425 -0.190 19974 6841 1 9 . 1 1 37 37 LYS N N 37 121.210 121.210 120.131 1.079 19974 6842 1 9 . 1 1 37 37 LYS HA H 37 3.731 3.731 4.098 -0.367 19974 6843 1 9 . 1 1 37 37 LYS C C 37 175.200 175.200 176.481 -1.281 19974 6844 1 9 . 1 1 37 37 LYS CA C 37 61.410 61.410 59.511 1.899 19974 6845 1 9 . 1 1 37 37 LYS CB C 37 33.090 33.090 33.017 0.073 19974 6846 1 9 . 1 1 37 37 LYS H H 37 9.055 9.055 8.430 0.625 19974 6847 1 9 . 1 1 38 38 THR N N 38 107.310 107.310 110.466 -3.156 19974 6848 1 9 . 1 1 38 38 THR HA H 38 4.448 4.448 4.459 -0.011 19974 6849 1 9 . 1 1 38 38 THR C C 38 171.420 171.420 172.382 -0.962 19974 6850 1 9 . 1 1 38 38 THR CA C 38 59.530 59.530 60.669 -1.139 19974 6851 1 9 . 1 1 38 38 THR CB C 38 69.570 69.570 69.525 0.045 19974 6852 1 9 . 1 1 38 38 THR H H 38 7.480 7.480 7.996 -0.516 19974 6853 1 9 . 1 1 39 39 SER N N 39 116.050 116.050 117.760 -1.710 19974 6854 1 9 . 1 1 39 39 SER HA H 39 4.641 4.641 4.815 -0.174 19974 6855 1 9 . 1 1 39 39 SER C C 39 175.590 175.590 174.389 1.201 19974 6856 1 9 . 1 1 39 39 SER CA C 39 57.340 57.340 57.549 -0.209 19974 6857 1 9 . 1 1 39 39 SER CB C 39 64.560 64.560 65.739 -1.179 19974 6858 1 9 . 1 1 39 39 SER H H 39 8.177 8.177 8.392 -0.215 19974 6859 1 9 . 1 1 40 40 GLU N N 40 124.630 124.630 120.948 3.682 19974 6860 1 9 . 1 1 40 40 GLU HA H 40 4.118 4.118 4.435 -0.317 19974 6861 1 9 . 1 1 40 40 GLU C C 40 176.520 176.520 176.565 -0.045 19974 6862 1 9 . 1 1 40 40 GLU CA C 40 58.100 58.100 57.215 0.885 19974 6863 1 9 . 1 1 40 40 GLU CB C 40 29.950 29.950 29.857 0.093 19974 6864 1 9 . 1 1 40 40 GLU H H 40 8.905 8.905 8.745 0.160 19974 6865 1 9 . 1 1 41 41 ILE N N 41 113.290 113.290 114.540 -1.250 19974 6866 1 9 . 1 1 41 41 ILE HA H 41 4.460 4.460 4.349 0.111 19974 6867 1 9 . 1 1 41 41 ILE C C 41 175.350 175.350 174.906 0.444 19974 6868 1 9 . 1 1 41 41 ILE CA C 41 59.490 59.490 59.121 0.369 19974 6869 1 9 . 1 1 41 41 ILE CB C 41 40.150 40.150 39.411 0.739 19974 6870 1 9 . 1 1 41 41 ILE H H 41 7.446 7.446 7.353 0.093 19974 6871 1 9 . 1 1 42 42 ASP N N 42 122.230 122.230 122.656 -0.426 19974 6872 1 9 . 1 1 42 42 ASP HA H 42 4.280 4.280 4.811 -0.531 19974 6873 1 9 . 1 1 42 42 ASP C C 42 177.430 177.430 176.900 0.530 19974 6874 1 9 . 1 1 42 42 ASP CA C 42 55.360 55.360 54.082 1.278 19974 6875 1 9 . 1 1 42 42 ASP CB C 42 42.690 42.690 41.119 1.571 19974 6876 1 9 . 1 1 42 42 ASP H H 42 8.271 8.271 8.377 -0.106 19974 6877 1 9 . 1 1 43 43 VAL N N 43 122.150 122.150 124.917 -2.767 19974 6878 1 9 . 1 1 43 43 VAL HA H 43 3.569 3.569 3.489 0.080 19974 6879 1 9 . 1 1 43 43 VAL C C 43 175.780 175.780 177.760 -1.980 19974 6880 1 9 . 1 1 43 43 VAL CA C 43 65.420 65.420 66.095 -0.675 19974 6881 1 9 . 1 1 43 43 VAL CB C 43 31.300 31.300 31.943 -0.643 19974 6882 1 9 . 1 1 43 43 VAL H H 43 8.160 8.160 8.829 -0.669 19974 6883 1 9 . 1 1 44 44 PHE N N 44 121.770 121.770 120.000 1.770 19974 6884 1 9 . 1 1 44 44 PHE HA H 44 3.892 3.892 3.981 -0.089 19974 6885 1 9 . 1 1 44 44 PHE C C 44 177.140 177.140 176.668 0.472 19974 6886 1 9 . 1 1 44 44 PHE CA C 44 62.190 62.190 61.525 0.665 19974 6887 1 9 . 1 1 44 44 PHE CB C 44 38.350 38.350 38.667 -0.317 19974 6888 1 9 . 1 1 44 44 PHE H H 44 8.101 8.101 8.277 -0.175 19974 6889 1 9 . 1 1 45 45 ASP N N 45 119.540 119.540 119.114 0.426 19974 6890 1 9 . 1 1 45 45 ASP HA H 45 4.106 4.106 4.224 -0.118 19974 6891 1 9 . 1 1 45 45 ASP C C 45 178.380 178.380 178.487 -0.107 19974 6892 1 9 . 1 1 45 45 ASP CA C 45 57.010 57.010 57.316 -0.306 19974 6893 1 9 . 1 1 45 45 ASP CB C 45 37.900 37.900 40.220 -2.320 19974 6894 1 9 . 1 1 45 45 ASP H H 45 7.317 7.317 7.947 -0.630 19974 6895 1 9 . 1 1 46 46 ARG N N 46 119.920 119.920 120.675 -0.755 19974 6896 1 9 . 1 1 46 46 ARG HA H 46 3.733 3.733 3.936 -0.203 19974 6897 1 9 . 1 1 46 46 ARG C C 46 176.750 176.750 177.985 -1.235 19974 6898 1 9 . 1 1 46 46 ARG CA C 46 57.136 57.136 59.110 -1.974 19974 6899 1 9 . 1 1 46 46 ARG CB C 46 28.590 28.590 30.236 -1.646 19974 6900 1 9 . 1 1 46 46 ARG H H 46 8.246 8.246 8.238 0.008 19974 6901 1 9 . 1 1 47 47 ALA N N 47 120.910 120.910 121.928 -1.018 19974 6902 1 9 . 1 1 47 47 ALA HA H 47 3.048 3.048 3.614 -0.566 19974 6903 1 9 . 1 1 47 47 ALA C C 47 177.810 177.810 178.749 -0.939 19974 6904 1 9 . 1 1 47 47 ALA CA C 47 55.010 55.010 54.859 0.151 19974 6905 1 9 . 1 1 47 47 ALA CB C 47 17.400 17.400 18.019 -0.619 19974 6906 1 9 . 1 1 47 47 ALA H H 47 7.803 7.803 8.110 -0.307 19974 6907 1 9 . 1 1 48 48 MET N N 48 115.800 115.800 118.647 -2.847 19974 6908 1 9 . 1 1 48 48 MET HA H 48 2.568 2.568 3.686 -1.118 19974 6909 1 9 . 1 1 48 48 MET C C 48 177.790 177.790 177.655 0.135 19974 6910 1 9 . 1 1 48 48 MET CA C 48 58.910 58.910 59.233 -0.323 19974 6911 1 9 . 1 1 48 48 MET CB C 48 32.750 32.750 32.191 0.559 19974 6912 1 9 . 1 1 48 48 MET H H 48 7.148 7.148 7.551 -0.403 19974 6913 1 9 . 1 1 49 49 ASP N N 49 121.130 121.130 120.093 1.037 19974 6914 1 9 . 1 1 49 49 ASP HA H 49 4.326 4.326 4.243 0.083 19974 6915 1 9 . 1 1 49 49 ASP C C 49 178.960 178.960 178.521 0.439 19974 6916 1 9 . 1 1 49 49 ASP CA C 49 57.330 57.330 57.896 -0.566 19974 6917 1 9 . 1 1 49 49 ASP CB C 49 40.180 40.180 40.904 -0.723 19974 6918 1 9 . 1 1 49 49 ASP H H 49 7.656 7.656 7.949 -0.293 19974 6919 1 9 . 1 1 50 50 VAL N N 50 122.030 122.030 119.812 2.218 19974 6920 1 9 . 1 1 50 50 VAL HA H 50 3.150 3.150 3.532 -0.382 19974 6921 1 9 . 1 1 50 50 VAL C C 50 176.610 176.610 177.770 -1.160 19974 6922 1 9 . 1 1 50 50 VAL CA C 50 66.980 66.980 66.333 0.647 19974 6923 1 9 . 1 1 50 50 VAL CB C 50 30.450 30.450 31.597 -1.147 19974 6924 1 9 . 1 1 50 50 VAL H H 50 8.506 8.506 8.228 0.278 19974 6925 1 9 . 1 1 51 51 PHE N N 51 120.010 120.010 120.496 -0.486 19974 6926 1 9 . 1 1 51 51 PHE HA H 51 3.701 3.701 4.105 -0.404 19974 6927 1 9 . 1 1 51 51 PHE C C 51 176.990 176.990 177.083 -0.093 19974 6928 1 9 . 1 1 51 51 PHE CA C 51 61.610 61.610 61.674 -0.064 19974 6929 1 9 . 1 1 51 51 PHE CB C 51 39.350 39.350 39.276 0.074 19974 6930 1 9 . 1 1 51 51 PHE H H 51 8.236 8.236 8.166 0.070 19974 6931 1 9 . 1 1 52 52 HIS N N 52 114.400 114.400 116.088 -1.688 19974 6932 1 9 . 1 1 52 52 HIS HA H 52 4.322 4.322 4.292 0.030 19974 6933 1 9 . 1 1 52 52 HIS C C 52 179.389 179.389 178.323 1.066 19974 6934 1 9 . 1 1 52 52 HIS CA C 52 59.670 59.670 59.926 -0.256 19974 6935 1 9 . 1 1 52 52 HIS CB C 52 28.380 28.380 30.043 -1.663 19974 6936 1 9 . 1 1 52 52 HIS H H 52 7.595 7.595 8.399 -0.804 19974 6937 1 9 . 1 1 53 53 ASN N N 53 125.300 125.300 119.642 5.658 19974 6938 1 9 . 1 1 53 53 ASN HA H 53 4.346 4.346 4.544 -0.198 19974 6939 1 9 . 1 1 53 53 ASN C C 53 177.560 177.560 177.014 0.546 19974 6940 1 9 . 1 1 53 53 ASN CA C 53 56.260 56.260 55.366 0.894 19974 6941 1 9 . 1 1 53 53 ASN CB C 53 38.020 38.020 38.360 -0.340 19974 6942 1 9 . 1 1 53 53 ASN H H 53 9.216 9.216 8.495 0.721 19974 6943 1 9 . 1 1 54 54 LEU N N 54 117.070 117.070 117.759 -0.689 19974 6944 1 9 . 1 1 54 54 LEU HA H 54 4.114 4.114 4.229 -0.115 19974 6945 1 9 . 1 1 54 54 LEU C C 54 175.780 175.780 175.796 -0.016 19974 6946 1 9 . 1 1 54 54 LEU CA C 54 54.400 54.400 55.249 -0.849 19974 6947 1 9 . 1 1 54 54 LEU CB C 54 42.810 42.810 42.144 0.666 19974 6948 1 9 . 1 1 54 54 LEU H H 54 8.270 8.270 7.835 0.435 19974 6949 1 9 . 1 1 55 55 LYS N N 55 116.580 116.580 114.878 1.702 19974 6950 1 9 . 1 1 55 55 LYS HA H 55 3.954 3.954 3.761 0.193 19974 6951 1 9 . 1 1 55 55 LYS C C 55 177.650 177.650 177.405 0.245 19974 6952 1 9 . 1 1 55 55 LYS CA C 55 56.630 56.630 57.094 -0.464 19974 6953 1 9 . 1 1 55 55 LYS CB C 55 28.110 28.110 29.605 -1.495 19974 6954 1 9 . 1 1 55 55 LYS H H 55 7.953 7.953 7.429 0.524 19974 6955 1 9 . 1 1 56 56 MET N N 56 114.460 114.460 116.645 -2.185 19974 6956 1 9 . 1 1 56 56 MET HA H 56 3.624 3.624 3.978 -0.354 19974 6957 1 9 . 1 1 56 56 MET C C 56 174.010 174.010 176.929 -2.919 19974 6958 1 9 . 1 1 56 56 MET CA C 56 56.800 56.800 58.816 -2.017 19974 6959 1 9 . 1 1 56 56 MET CB C 56 28.620 28.620 31.789 -3.169 19974 6960 1 9 . 1 1 56 56 MET H H 56 7.496 7.496 7.152 0.344 19974 6961 1 9 . 1 1 57 57 ASP N N 57 113.610 113.610 119.063 -5.453 19974 6962 1 9 . 1 1 57 57 ASP HA H 57 4.490 4.490 4.567 -0.077 19974 6963 1 9 . 1 1 57 57 ASP C C 57 176.060 176.060 177.696 -1.636 19974 6964 1 9 . 1 1 57 57 ASP CA C 57 53.030 53.030 56.299 -3.269 19974 6965 1 9 . 1 1 57 57 ASP CB C 57 38.940 38.940 40.154 -1.214 19974 6966 1 9 . 1 1 57 57 ASP H H 57 8.921 8.921 8.181 0.740 19974 6967 1 9 . 1 1 58 58 ASN N N 58 119.880 119.880 118.538 1.342 19974 6968 1 9 . 1 1 58 58 ASN HA H 58 4.885 4.885 4.630 0.255 19974 6969 1 9 . 1 1 58 58 ASN C C 58 174.060 174.060 174.315 -0.255 19974 6970 1 9 . 1 1 58 58 ASN CA C 58 52.190 52.190 53.325 -1.135 19974 6971 1 9 . 1 1 58 58 ASN CB C 58 37.230 37.230 37.910 -0.680 19974 6972 1 9 . 1 1 58 58 ASN H H 58 7.070 7.070 7.535 -0.465 19974 6973 1 9 . 1 1 59 59 THR N N 59 108.570 108.570 117.117 -8.547 19974 6974 1 9 . 1 1 59 59 THR HA H 59 4.449 4.449 4.557 -0.108 19974 6975 1 9 . 1 1 59 59 THR C C 59 175.810 175.810 174.821 0.989 19974 6976 1 9 . 1 1 59 59 THR CA C 59 59.600 59.600 60.817 -1.217 19974 6977 1 9 . 1 1 59 59 THR CB C 59 70.900 70.900 71.080 -0.180 19974 6978 1 9 . 1 1 59 59 THR H H 59 7.636 7.636 7.927 -0.291 19974 6979 1 9 . 1 1 60 60 LYS N N 60 126.400 126.400 128.891 -2.491 19974 6980 1 9 . 1 1 60 60 LYS HA H 60 3.923 3.923 3.995 -0.072 19974 6981 1 9 . 1 1 60 60 LYS C C 60 179.030 179.030 177.149 1.881 19974 6982 1 9 . 1 1 60 60 LYS CA C 60 59.600 59.600 59.313 0.287 19974 6983 1 9 . 1 1 60 60 LYS CB C 60 32.480 32.480 32.061 0.419 19974 6984 1 9 . 1 1 60 60 LYS H H 60 10.322 10.322 8.804 1.518 19974 6985 1 9 . 1 1 61 61 LEU N N 61 114.780 114.780 116.577 -1.797 19974 6986 1 9 . 1 1 61 61 LEU HA H 61 4.430 4.430 4.374 0.056 19974 6987 1 9 . 1 1 61 61 LEU C C 61 175.660 175.660 176.069 -0.409 19974 6988 1 9 . 1 1 61 61 LEU CA C 61 52.830 52.830 54.375 -1.545 19974 6989 1 9 . 1 1 61 61 LEU CB C 61 40.470 40.470 41.502 -1.032 19974 6990 1 9 . 1 1 61 61 LEU H H 61 8.555 8.555 7.782 0.773 19974 6991 1 9 . 1 1 62 62 GLN N N 62 116.490 116.490 114.384 2.106 19974 6992 1 9 . 1 1 62 62 GLN HA H 62 3.715 3.715 4.015 -0.300 19974 6993 1 9 . 1 1 62 62 GLN C C 62 175.060 175.060 174.336 0.724 19974 6994 1 9 . 1 1 62 62 GLN CA C 62 56.440 56.440 56.466 -0.026 19974 6995 1 9 . 1 1 62 62 GLN CB C 62 26.480 26.480 26.511 -0.031 19974 6996 1 9 . 1 1 62 62 GLN H H 62 7.526 7.526 7.813 -0.287 19974 6997 1 9 . 1 1 63 63 ASN N N 63 114.760 114.760 114.610 0.150 19974 6998 1 9 . 1 1 63 63 ASN HA H 63 4.352 4.352 4.863 -0.511 19974 6999 1 9 . 1 1 63 63 ASN C C 63 173.790 173.790 175.125 -1.335 19974 7000 1 9 . 1 1 63 63 ASN CA C 63 50.680 50.680 51.946 -1.266 19974 7001 1 9 . 1 1 63 63 ASN CB C 63 35.110 35.110 38.717 -3.607 19974 7002 1 9 . 1 1 63 63 ASN H H 63 8.243 8.243 8.190 0.053 19974 7003 1 9 . 1 1 64 64 GLY N N 64 105.820 105.820 108.149 -2.329 19974 7004 1 9 . 1 1 64 64 GLY C C 64 172.650 172.650 172.729 -0.079 19974 7005 1 9 . 1 1 64 64 GLY CA C 64 44.136 44.136 44.586 -0.450 19974 7006 1 9 . 1 1 64 64 GLY H H 64 8.618 8.618 7.656 0.962 19974 7007 1 9 . 1 1 65 65 VAL N N 65 120.490 120.490 125.586 -5.096 19974 7008 1 9 . 1 1 65 65 VAL HA H 65 4.814 4.814 5.216 -0.402 19974 7009 1 9 . 1 1 65 65 VAL C C 65 172.610 172.610 174.326 -1.716 19974 7010 1 9 . 1 1 65 65 VAL CA C 65 60.890 60.890 61.078 -0.188 19974 7011 1 9 . 1 1 65 65 VAL CB C 65 35.570 35.570 34.980 0.591 19974 7012 1 9 . 1 1 65 65 VAL H H 65 9.053 9.053 9.301 -0.248 19974 7013 1 9 . 1 1 66 66 LEU N N 66 127.740 127.740 128.497 -0.757 19974 7014 1 9 . 1 1 66 66 LEU HA H 66 5.097 5.097 5.525 -0.428 19974 7015 1 9 . 1 1 66 66 LEU C C 66 175.120 175.120 175.047 0.073 19974 7016 1 9 . 1 1 66 66 LEU CA C 66 51.870 51.870 53.128 -1.258 19974 7017 1 9 . 1 1 66 66 LEU CB C 66 47.520 47.520 46.663 0.857 19974 7018 1 9 . 1 1 66 66 LEU H H 66 9.245 9.245 9.413 -0.168 19974 7019 1 9 . 1 1 67 67 ILE N N 67 126.030 126.030 127.096 -1.066 19974 7020 1 9 . 1 1 67 67 ILE HA H 67 4.484 4.484 4.834 -0.350 19974 7021 1 9 . 1 1 67 67 ILE C C 67 173.290 173.290 175.235 -1.945 19974 7022 1 9 . 1 1 67 67 ILE CA C 67 61.090 61.090 60.337 0.753 19974 7023 1 9 . 1 1 67 67 ILE CB C 67 37.480 37.480 37.822 -0.342 19974 7024 1 9 . 1 1 67 67 ILE H H 67 8.974 8.974 9.015 -0.041 19974 7025 1 9 . 1 1 68 68 TYR N N 68 129.400 129.400 130.329 -0.929 19974 7026 1 9 . 1 1 68 68 TYR HA H 68 4.887 4.887 5.078 -0.191 19974 7027 1 9 . 1 1 68 68 TYR C C 68 174.140 174.140 174.185 -0.045 19974 7028 1 9 . 1 1 68 68 TYR CA C 68 56.990 56.990 57.878 -0.888 19974 7029 1 9 . 1 1 68 68 TYR CB C 68 40.790 40.790 38.862 1.927 19974 7030 1 9 . 1 1 68 68 TYR H H 68 8.999 8.999 8.842 0.157 19974 7031 1 9 . 1 1 69 69 VAL N N 69 126.790 126.790 128.987 -2.197 19974 7032 1 9 . 1 1 69 69 VAL HA H 69 4.401 4.401 4.622 -0.221 19974 7033 1 9 . 1 1 69 69 VAL C C 69 172.350 172.350 173.668 -1.318 19974 7034 1 9 . 1 1 69 69 VAL CA C 69 60.810 60.810 60.467 0.343 19974 7035 1 9 . 1 1 69 69 VAL CB C 69 34.360 34.360 34.794 -0.434 19974 7036 1 9 . 1 1 69 69 VAL H H 69 8.378 8.378 8.897 -0.519 19974 7037 1 9 . 1 1 70 70 ALA N N 70 129.770 129.770 129.103 0.667 19974 7038 1 9 . 1 1 70 70 ALA HA H 70 4.592 4.592 5.165 -0.573 19974 7039 1 9 . 1 1 70 70 ALA C C 70 177.620 177.620 177.839 -0.219 19974 7040 1 9 . 1 1 70 70 ALA CA C 70 49.210 49.210 49.733 -0.524 19974 7041 1 9 . 1 1 70 70 ALA CB C 70 17.470 17.470 20.013 -2.543 19974 7042 1 9 . 1 1 70 70 ALA H H 70 8.078 8.078 8.911 -0.833 19974 7043 1 9 . 1 1 71 71 VAL N N 71 120.880 120.880 120.084 0.796 19974 7044 1 9 . 1 1 71 71 VAL HA H 71 2.847 2.847 3.675 -0.828 19974 7045 1 9 . 1 1 71 71 VAL C C 71 178.310 178.310 176.738 1.572 19974 7046 1 9 . 1 1 71 71 VAL CA C 71 66.030 66.030 64.594 1.436 19974 7047 1 9 . 1 1 71 71 VAL CB C 71 32.110 32.110 31.559 0.551 19974 7048 1 9 . 1 1 71 71 VAL H H 71 8.597 8.597 8.678 -0.081 19974 7049 1 9 . 1 1 72 72 GLU N N 72 119.350 119.350 120.928 -1.578 19974 7050 1 9 . 1 1 72 72 GLU HA H 72 3.955 3.955 4.242 -0.287 19974 7051 1 9 . 1 1 72 72 GLU C C 72 177.650 177.650 177.793 -0.143 19974 7052 1 9 . 1 1 72 72 GLU CA C 72 59.260 59.260 58.461 0.799 19974 7053 1 9 . 1 1 72 72 GLU CB C 72 28.940 28.940 29.732 -0.792 19974 7054 1 9 . 1 1 72 72 GLU H H 72 9.107 9.107 8.020 1.087 19974 7055 1 9 . 1 1 73 73 ASP N N 73 115.250 115.250 117.772 -2.522 19974 7056 1 9 . 1 1 73 73 ASP HA H 73 4.544 4.544 4.775 -0.231 19974 7057 1 9 . 1 1 73 73 ASP C C 73 175.460 175.460 175.907 -0.447 19974 7058 1 9 . 1 1 73 73 ASP CA C 73 54.030 54.030 53.868 0.162 19974 7059 1 9 . 1 1 73 73 ASP CB C 73 41.350 41.350 41.444 -0.094 19974 7060 1 9 . 1 1 73 73 ASP H H 73 7.039 7.039 8.123 -1.084 19974 7061 1 9 . 1 1 74 74 LYS N N 74 115.850 115.850 118.809 -2.959 19974 7062 1 9 . 1 1 74 74 LYS HA H 74 3.502 3.502 4.021 -0.519 19974 7063 1 9 . 1 1 74 74 LYS C C 74 174.920 174.920 175.434 -0.514 19974 7064 1 9 . 1 1 74 74 LYS CA C 74 57.180 57.180 57.457 -0.277 19974 7065 1 9 . 1 1 74 74 LYS CB C 74 29.100 29.100 30.497 -1.397 19974 7066 1 9 . 1 1 74 74 LYS H H 74 8.012 8.012 8.150 -0.138 19974 7067 1 9 . 1 1 75 75 THR N N 75 111.710 111.710 110.091 1.619 19974 7068 1 9 . 1 1 75 75 THR HA H 75 4.725 4.725 4.834 -0.109 19974 7069 1 9 . 1 1 75 75 THR C C 75 172.150 172.150 172.824 -0.674 19974 7070 1 9 . 1 1 75 75 THR CA C 75 60.740 60.740 59.576 1.164 19974 7071 1 9 . 1 1 75 75 THR CB C 75 70.900 70.900 71.250 -0.350 19974 7072 1 9 . 1 1 75 75 THR H H 75 7.763 7.763 7.696 0.067 19974 7073 1 9 . 1 1 76 76 PHE N N 76 117.220 117.220 118.744 -1.524 19974 7074 1 9 . 1 1 76 76 PHE HA H 76 5.968 5.968 5.518 0.450 19974 7075 1 9 . 1 1 76 76 PHE C C 76 173.250 173.250 173.571 -0.321 19974 7076 1 9 . 1 1 76 76 PHE CA C 76 54.920 54.920 55.352 -0.432 19974 7077 1 9 . 1 1 76 76 PHE CB C 76 42.780 42.780 41.281 1.499 19974 7078 1 9 . 1 1 76 76 PHE H H 76 7.992 7.992 7.659 0.333 19974 7079 1 9 . 1 1 77 77 VAL N N 77 120.030 120.030 122.938 -2.908 19974 7080 1 9 . 1 1 77 77 VAL HA H 77 4.015 4.015 4.482 -0.467 19974 7081 1 9 . 1 1 77 77 VAL C C 77 173.310 173.310 174.493 -1.183 19974 7082 1 9 . 1 1 77 77 VAL CA C 77 60.840 60.840 60.996 -0.156 19974 7083 1 9 . 1 1 77 77 VAL CB C 77 37.410 37.410 35.592 1.818 19974 7084 1 9 . 1 1 77 77 VAL H H 77 9.447 9.447 9.237 0.210 19974 7085 1 9 . 1 1 78 78 ILE N N 78 125.240 125.240 124.366 0.874 19974 7086 1 9 . 1 1 78 78 ILE HA H 78 4.433 4.433 5.109 -0.676 19974 7087 1 9 . 1 1 78 78 ILE C C 78 174.090 174.090 175.225 -1.135 19974 7088 1 9 . 1 1 78 78 ILE CA C 78 60.081 60.081 60.190 -0.109 19974 7089 1 9 . 1 1 78 78 ILE CB C 78 38.340 38.340 40.445 -2.105 19974 7090 1 9 . 1 1 78 78 ILE H H 78 8.155 8.155 8.399 -0.244 19974 7091 1 9 . 1 1 79 79 TYR N N 79 130.130 130.130 128.372 1.758 19974 7092 1 9 . 1 1 79 79 TYR HA H 79 4.422 4.422 4.849 -0.427 19974 7093 1 9 . 1 1 79 79 TYR C C 79 172.740 172.740 173.414 -0.674 19974 7094 1 9 . 1 1 79 79 TYR CA C 79 57.390 57.390 57.029 0.361 19974 7095 1 9 . 1 1 79 79 TYR CB C 79 40.820 40.820 42.837 -2.017 19974 7096 1 9 . 1 1 79 79 TYR H H 79 9.328 9.328 9.366 -0.038 19974 7097 1 9 . 1 1 80 80 GLY N N 80 114.140 114.140 112.403 1.737 19974 7098 1 9 . 1 1 80 80 GLY C C 80 171.090 171.090 172.624 -1.534 19974 7099 1 9 . 1 1 80 80 GLY CA C 80 42.860 42.860 43.293 -0.433 19974 7100 1 9 . 1 1 80 80 GLY H H 80 7.837 7.837 7.545 0.292 19974 7101 1 9 . 1 1 81 81 ASP N N 81 115.660 115.660 122.940 -7.280 19974 7102 1 9 . 1 1 81 81 ASP HA H 81 4.248 4.248 4.483 -0.235 19974 7103 1 9 . 1 1 81 81 ASP C C 81 176.980 176.980 177.929 -0.949 19974 7104 1 9 . 1 1 81 81 ASP CA C 81 51.950 51.950 53.500 -1.550 19974 7105 1 9 . 1 1 81 81 ASP CB C 81 41.260 41.260 42.932 -1.672 19974 7106 1 9 . 1 1 81 81 ASP H H 81 7.633 7.633 8.580 -0.947 19974 7107 1 9 . 1 1 82 82 LYS N N 82 120.470 120.470 123.141 -2.671 19974 7108 1 9 . 1 1 82 82 LYS HA H 82 3.764 3.764 3.942 -0.178 19974 7109 1 9 . 1 1 82 82 LYS C C 82 176.350 176.350 178.790 -2.440 19974 7110 1 9 . 1 1 82 82 LYS CA C 82 59.290 59.290 59.602 -0.312 19974 7111 1 9 . 1 1 82 82 LYS CB C 82 33.720 33.720 32.496 1.224 19974 7112 1 9 . 1 1 82 82 LYS H H 82 9.212 9.212 8.553 0.659 19974 7113 1 9 . 1 1 83 83 GLY N N 83 105.260 105.260 106.716 -1.456 19974 7114 1 9 . 1 1 83 83 GLY C C 83 176.540 176.540 176.009 0.531 19974 7115 1 9 . 1 1 83 83 GLY CA C 83 46.260 46.260 46.810 -0.550 19974 7116 1 9 . 1 1 83 83 GLY H H 83 8.367 8.367 8.241 0.126 19974 7117 1 9 . 1 1 84 84 ILE N N 84 117.510 117.510 122.367 -4.857 19974 7118 1 9 . 1 1 84 84 ILE HA H 84 3.644 3.644 3.797 -0.153 19974 7119 1 9 . 1 1 84 84 ILE C C 84 177.010 177.010 177.110 -0.100 19974 7120 1 9 . 1 1 84 84 ILE CA C 84 63.636 63.636 64.707 -1.071 19974 7121 1 9 . 1 1 84 84 ILE CB C 84 38.820 38.820 38.210 0.610 19974 7122 1 9 . 1 1 84 84 ILE H H 84 7.040 7.040 7.665 -0.625 19974 7123 1 9 . 1 1 85 85 ASN N N 85 117.400 117.400 118.226 -0.826 19974 7124 1 9 . 1 1 85 85 ASN HA H 85 4.115 4.115 4.290 -0.175 19974 7125 1 9 . 1 1 85 85 ASN C C 85 176.600 176.600 176.763 -0.163 19974 7126 1 9 . 1 1 85 85 ASN CA C 85 55.840 55.840 56.207 -0.367 19974 7127 1 9 . 1 1 85 85 ASN CB C 85 37.720 37.720 38.418 -0.698 19974 7128 1 9 . 1 1 85 85 ASN H H 85 7.351 7.351 7.956 -0.605 19974 7129 1 9 . 1 1 86 86 ASP N N 86 115.890 115.890 118.716 -2.826 19974 7130 1 9 . 1 1 86 86 ASP HA H 86 4.391 4.391 4.595 -0.204 19974 7131 1 9 . 1 1 86 86 ASP C C 86 177.240 177.240 177.781 -0.541 19974 7132 1 9 . 1 1 86 86 ASP CA C 86 56.260 56.260 56.238 0.022 19974 7133 1 9 . 1 1 86 86 ASP CB C 86 41.200 41.200 41.165 0.035 19974 7134 1 9 . 1 1 86 86 ASP H H 86 8.377 8.377 8.201 0.176 19974 7135 1 9 . 1 1 87 87 VAL N N 87 109.640 109.640 113.312 -3.672 19974 7136 1 9 . 1 1 87 87 VAL HA H 87 4.473 4.473 4.302 0.171 19974 7137 1 9 . 1 1 87 87 VAL C C 87 175.780 175.780 176.058 -0.278 19974 7138 1 9 . 1 1 87 87 VAL CA C 87 61.320 61.320 62.721 -1.401 19974 7139 1 9 . 1 1 87 87 VAL CB C 87 34.170 34.170 33.411 0.759 19974 7140 1 9 . 1 1 87 87 VAL H H 87 7.196 7.196 7.584 -0.388 19974 7141 1 9 . 1 1 88 88 VAL N N 88 113.200 113.200 114.585 -1.385 19974 7142 1 9 . 1 1 88 88 VAL HA H 88 3.789 3.789 4.155 -0.366 19974 7143 1 9 . 1 1 88 88 VAL C C 88 175.760 175.760 174.655 1.105 19974 7144 1 9 . 1 1 88 88 VAL CA C 88 60.640 60.640 59.906 0.734 19974 7145 1 9 . 1 1 88 88 VAL CB C 88 32.970 32.970 33.849 -0.879 19974 7146 1 9 . 1 1 88 88 VAL H H 88 6.921 6.921 7.726 -0.805 19974 7147 1 9 . 1 1 89 89 SER N N 89 114.460 114.460 116.283 -1.823 19974 7148 1 9 . 1 1 89 89 SER HA H 89 4.546 4.546 4.823 -0.277 19974 7149 1 9 . 1 1 89 89 SER C C 89 175.720 175.720 175.437 0.283 19974 7150 1 9 . 1 1 89 89 SER CA C 89 57.330 57.330 56.217 1.113 19974 7151 1 9 . 1 1 89 89 SER CB C 89 64.500 64.500 65.843 -1.343 19974 7152 1 9 . 1 1 89 89 SER H H 89 7.738 7.738 8.281 -0.543 19974 7153 1 9 . 1 1 90 90 ASP N N 90 120.250 120.250 122.344 -2.094 19974 7154 1 9 . 1 1 90 90 ASP HA H 90 4.361 4.361 4.385 -0.024 19974 7155 1 9 . 1 1 90 90 ASP C C 90 176.630 176.630 177.778 -1.148 19974 7156 1 9 . 1 1 90 90 ASP CA C 90 57.050 57.050 57.058 -0.008 19974 7157 1 9 . 1 1 90 90 ASP CB C 90 40.540 40.540 40.483 0.057 19974 7158 1 9 . 1 1 90 90 ASP H H 90 8.687 8.687 8.874 -0.187 19974 7159 1 9 . 1 1 91 91 ASP N N 91 116.800 116.800 117.709 -0.909 19974 7160 1 9 . 1 1 91 91 ASP HA H 91 4.605 4.605 4.542 0.063 19974 7161 1 9 . 1 1 91 91 ASP C C 91 177.610 177.610 177.508 0.102 19974 7162 1 9 . 1 1 91 91 ASP CA C 91 52.890 52.890 55.342 -2.452 19974 7163 1 9 . 1 1 91 91 ASP CB C 91 40.230 40.230 40.518 -0.288 19974 7164 1 9 . 1 1 91 91 ASP H H 91 8.250 8.250 8.638 -0.388 19974 7165 1 9 . 1 1 92 92 PHE N N 92 122.130 122.130 120.088 2.042 19974 7166 1 9 . 1 1 92 92 PHE HA H 92 3.857 3.857 4.510 -0.653 19974 7167 1 9 . 1 1 92 92 PHE C C 92 177.040 177.040 176.459 0.581 19974 7168 1 9 . 1 1 92 92 PHE CA C 92 61.910 61.910 60.120 1.790 19974 7169 1 9 . 1 1 92 92 PHE CB C 92 40.696 40.696 39.752 0.944 19974 7170 1 9 . 1 1 92 92 PHE H H 92 7.564 7.564 7.914 -0.350 19974 7171 1 9 . 1 1 93 93 TRP N N 93 113.980 113.980 118.819 -4.839 19974 7172 1 9 . 1 1 93 93 TRP HA H 93 4.726 4.726 4.654 0.072 19974 7173 1 9 . 1 1 93 93 TRP C C 93 176.420 176.420 177.770 -1.350 19974 7174 1 9 . 1 1 93 93 TRP CA C 93 56.020 56.020 59.120 -3.100 19974 7175 1 9 . 1 1 93 93 TRP CB C 93 29.990 29.990 29.579 0.411 19974 7176 1 9 . 1 1 93 93 TRP H H 93 8.532 8.532 7.523 1.009 19974 7177 1 9 . 1 1 94 94 ASP N N 94 122.120 122.120 120.347 1.773 19974 7178 1 9 . 1 1 94 94 ASP HA H 94 4.228 4.228 4.404 -0.176 19974 7179 1 9 . 1 1 94 94 ASP C C 94 178.550 178.550 177.909 0.641 19974 7180 1 9 . 1 1 94 94 ASP CA C 94 59.120 59.120 58.185 0.935 19974 7181 1 9 . 1 1 94 94 ASP CB C 94 39.140 39.140 40.693 -1.553 19974 7182 1 9 . 1 1 94 94 ASP H H 94 7.904 7.904 8.434 -0.530 19974 7183 1 9 . 1 1 95 95 THR N N 95 111.200 111.200 111.373 -0.173 19974 7184 1 9 . 1 1 95 95 THR HA H 95 4.004 4.004 3.927 0.077 19974 7185 1 9 . 1 1 95 95 THR C C 95 177.630 177.630 176.657 0.973 19974 7186 1 9 . 1 1 95 95 THR CA C 95 65.560 65.560 66.065 -0.505 19974 7187 1 9 . 1 1 95 95 THR CB C 95 68.230 68.230 68.418 -0.188 19974 7188 1 9 . 1 1 95 95 THR H H 95 8.559 8.559 8.203 0.356 19974 7189 1 9 . 1 1 96 96 THR N N 96 123.230 123.230 118.717 4.513 19974 7190 1 9 . 1 1 96 96 THR HA H 96 3.725 3.725 3.834 -0.109 19974 7191 1 9 . 1 1 96 96 THR C C 96 175.410 175.410 176.572 -1.162 19974 7192 1 9 . 1 1 96 96 THR CA C 96 68.286 68.286 66.710 1.576 19974 7193 1 9 . 1 1 96 96 THR CB C 96 68.200 68.200 68.445 -0.245 19974 7194 1 9 . 1 1 96 96 THR H H 96 7.991 7.991 7.739 0.252 19974 7195 1 9 . 1 1 97 97 ARG N N 97 119.960 119.960 121.126 -1.166 19974 7196 1 9 . 1 1 97 97 ARG HA H 97 3.829 3.829 4.069 -0.240 19974 7197 1 9 . 1 1 97 97 ARG C C 97 178.320 178.320 178.857 -0.537 19974 7198 1 9 . 1 1 97 97 ARG CA C 97 60.390 60.390 60.004 0.386 19974 7199 1 9 . 1 1 97 97 ARG CB C 97 29.870 29.870 30.262 -0.391 19974 7200 1 9 . 1 1 97 97 ARG H H 97 8.825 8.825 8.071 0.754 19974 7201 1 9 . 1 1 98 98 ASN N N 98 115.680 115.680 118.312 -2.632 19974 7202 1 9 . 1 1 98 98 ASN HA H 98 4.390 4.390 4.476 -0.086 19974 7203 1 9 . 1 1 98 98 ASN C C 98 176.620 176.620 177.538 -0.918 19974 7204 1 9 . 1 1 98 98 ASN CA C 98 56.050 56.050 56.123 -0.073 19974 7205 1 9 . 1 1 98 98 ASN CB C 98 38.220 38.220 37.995 0.225 19974 7206 1 9 . 1 1 98 98 ASN H H 98 8.508 8.508 8.454 0.054 19974 7207 1 9 . 1 1 99 99 ALA N N 99 120.830 120.830 123.643 -2.813 19974 7208 1 9 . 1 1 99 99 ALA HA H 99 4.020 4.020 3.963 0.057 19974 7209 1 9 . 1 1 99 99 ALA C C 99 179.800 179.800 179.574 0.226 19974 7210 1 9 . 1 1 99 99 ALA CA C 99 54.770 54.770 55.280 -0.510 19974 7211 1 9 . 1 1 99 99 ALA CB C 99 18.110 18.110 18.544 -0.433 19974 7212 1 9 . 1 1 99 99 ALA H H 99 7.447 7.447 7.972 -0.525 19974 7213 1 9 . 1 1 100 100 ILE N N 100 116.240 116.240 118.971 -2.731 19974 7214 1 9 . 1 1 100 100 ILE HA H 100 3.203 3.203 3.672 -0.469 19974 7215 1 9 . 1 1 100 100 ILE C C 100 178.050 178.050 177.838 0.212 19974 7216 1 9 . 1 1 100 100 ILE CA C 100 64.550 64.550 65.162 -0.612 19974 7217 1 9 . 1 1 100 100 ILE CB C 100 37.640 37.640 37.528 0.112 19974 7218 1 9 . 1 1 100 100 ILE H H 100 7.339 7.339 7.507 -0.168 19974 7219 1 9 . 1 1 101 101 GLN N N 101 118.750 118.750 119.629 -0.879 19974 7220 1 9 . 1 1 101 101 GLN HA H 101 3.917 3.917 3.717 0.200 19974 7221 1 9 . 1 1 101 101 GLN C C 101 177.870 177.870 178.674 -0.804 19974 7222 1 9 . 1 1 101 101 GLN CA C 101 59.200 59.200 59.272 -0.072 19974 7223 1 9 . 1 1 101 101 GLN CB C 101 28.860 28.860 28.968 -0.108 19974 7224 1 9 . 1 1 101 101 GLN H H 101 8.359 8.359 8.187 0.172 19974 7225 1 9 . 1 1 102 102 LEU N N 102 117.790 117.790 120.023 -2.233 19974 7226 1 9 . 1 1 102 102 LEU HA H 102 3.951 3.951 3.982 -0.031 19974 7227 1 9 . 1 1 102 102 LEU C C 102 179.550 179.550 179.349 0.201 19974 7228 1 9 . 1 1 102 102 LEU CA C 102 58.190 58.190 57.831 0.359 19974 7229 1 9 . 1 1 102 102 LEU CB C 102 42.320 42.320 41.920 0.400 19974 7230 1 9 . 1 1 102 102 LEU H H 102 8.119 8.119 8.349 -0.230 19974 7231 1 9 . 1 1 103 103 GLN N N 103 113.650 113.650 118.080 -4.430 19974 7232 1 9 . 1 1 103 103 GLN HA H 103 4.426 4.426 4.134 0.292 19974 7233 1 9 . 1 1 103 103 GLN C C 103 179.680 179.680 178.518 1.162 19974 7234 1 9 . 1 1 103 103 GLN CA C 103 56.550 56.550 58.095 -1.545 19974 7235 1 9 . 1 1 103 103 GLN CB C 103 27.480 27.480 28.565 -1.085 19974 7236 1 9 . 1 1 103 103 GLN H H 103 6.636 6.636 7.661 -1.025 19974 7237 1 9 . 1 1 104 104 PHE N N 104 123.740 123.740 120.727 3.013 19974 7238 1 9 . 1 1 104 104 PHE HA H 104 3.895 3.895 4.355 -0.460 19974 7239 1 9 . 1 1 104 104 PHE C C 104 180.130 180.130 177.768 2.362 19974 7240 1 9 . 1 1 104 104 PHE CA C 104 59.760 59.760 61.726 -1.966 19974 7241 1 9 . 1 1 104 104 PHE CB C 104 36.620 36.620 39.117 -2.497 19974 7242 1 9 . 1 1 104 104 PHE H H 104 9.161 9.161 8.668 0.493 19974 7243 1 9 . 1 1 105 105 LYS N N 105 119.280 119.280 118.336 0.944 19974 7244 1 9 . 1 1 105 105 LYS HA H 105 4.126 4.126 4.053 0.073 19974 7245 1 9 . 1 1 105 105 LYS C C 105 177.290 177.290 178.264 -0.974 19974 7246 1 9 . 1 1 105 105 LYS CA C 105 58.913 58.913 58.993 -0.080 19974 7247 1 9 . 1 1 105 105 LYS CB C 105 31.920 31.920 32.411 -0.491 19974 7248 1 9 . 1 1 105 105 LYS H H 105 8.519 8.519 8.158 0.361 19974 7249 1 9 . 1 1 106 106 GLN N N 106 114.530 114.530 115.652 -1.122 19974 7250 1 9 . 1 1 106 106 GLN HA H 106 4.415 4.415 4.205 0.210 19974 7251 1 9 . 1 1 106 106 GLN C C 106 175.450 175.450 177.010 -1.560 19974 7252 1 9 . 1 1 106 106 GLN CA C 106 54.850 54.850 57.209 -2.359 19974 7253 1 9 . 1 1 106 106 GLN CB C 106 30.010 30.010 29.680 0.330 19974 7254 1 9 . 1 1 106 106 GLN H H 106 6.934 6.934 7.636 -0.702 19974 7255 1 9 . 1 1 107 107 GLY N N 107 106.800 106.800 105.567 1.233 19974 7256 1 9 . 1 1 107 107 GLY C C 107 173.140 173.140 173.707 -0.567 19974 7257 1 9 . 1 1 107 107 GLY CA C 107 44.930 44.930 44.195 0.735 19974 7258 1 9 . 1 1 107 107 GLY H H 107 7.722 7.722 8.091 -0.369 19974 7259 1 9 . 1 1 108 108 ASN N N 108 120.230 120.230 121.360 -1.130 19974 7260 1 9 . 1 1 108 108 ASN HA H 108 4.827 4.827 4.611 0.216 19974 7261 1 9 . 1 1 108 108 ASN C C 108 174.820 174.820 175.246 -0.426 19974 7262 1 9 . 1 1 108 108 ASN CA C 108 50.520 50.520 51.074 -0.554 19974 7263 1 9 . 1 1 108 108 ASN CB C 108 37.090 37.090 37.321 -0.231 19974 7264 1 9 . 1 1 108 108 ASN H H 108 7.654 7.654 7.741 -0.087 19974 7265 1 9 . 1 1 109 109 PHE N N 109 122.130 122.130 121.154 0.976 19974 7266 1 9 . 1 1 109 109 PHE HA H 109 4.038 4.038 3.534 0.504 19974 7267 1 9 . 1 1 109 109 PHE C C 109 177.270 177.270 177.565 -0.295 19974 7268 1 9 . 1 1 109 109 PHE CA C 109 60.670 60.670 60.770 -0.100 19974 7269 1 9 . 1 1 109 109 PHE CB C 109 38.220 38.220 38.020 0.200 19974 7270 1 9 . 1 1 109 109 PHE H H 109 7.231 7.231 6.761 0.470 19974 7271 1 9 . 1 1 110 110 LYS N N 110 118.670 118.670 119.668 -0.998 19974 7272 1 9 . 1 1 110 110 LYS HA H 110 3.610 3.610 3.816 -0.206 19974 7273 1 9 . 1 1 110 110 LYS C C 110 177.680 177.680 178.467 -0.787 19974 7274 1 9 . 1 1 110 110 LYS CA C 110 60.050 60.050 60.236 -0.186 19974 7275 1 9 . 1 1 110 110 LYS CB C 110 29.680 29.680 31.855 -2.175 19974 7276 1 9 . 1 1 110 110 LYS H H 110 8.727 8.727 8.447 0.280 19974 7277 1 9 . 1 1 111 111 GLN N N 111 117.980 117.980 117.736 0.244 19974 7278 1 9 . 1 1 111 111 GLN HA H 111 3.491 3.491 4.064 -0.573 19974 7279 1 9 . 1 1 111 111 GLN C C 111 177.640 177.640 178.747 -1.107 19974 7280 1 9 . 1 1 111 111 GLN CA C 111 57.530 57.530 58.458 -0.928 19974 7281 1 9 . 1 1 111 111 GLN CB C 111 28.460 28.460 28.552 -0.092 19974 7282 1 9 . 1 1 111 111 GLN H H 111 8.442 8.442 7.747 0.695 19974 7283 1 9 . 1 1 112 112 GLY N N 112 103.740 103.740 108.433 -4.693 19974 7284 1 9 . 1 1 112 112 GLY C C 112 173.970 173.970 176.030 -2.060 19974 7285 1 9 . 1 1 112 112 GLY CA C 112 48.730 48.730 46.855 1.875 19974 7286 1 9 . 1 1 112 112 GLY H H 112 8.196 8.196 8.091 0.105 19974 7287 1 9 . 1 1 113 113 LEU N N 113 119.640 119.640 122.976 -3.336 19974 7288 1 9 . 1 1 113 113 LEU HA H 113 3.868 3.868 4.098 -0.230 19974 7289 1 9 . 1 1 113 113 LEU C C 113 177.480 177.480 178.716 -1.236 19974 7290 1 9 . 1 1 113 113 LEU CA C 113 58.150 58.150 57.806 0.344 19974 7291 1 9 . 1 1 113 113 LEU CB C 113 41.920 41.920 42.120 -0.200 19974 7292 1 9 . 1 1 113 113 LEU H H 113 7.614 7.614 8.144 -0.530 19974 7293 1 9 . 1 1 114 114 VAL N N 114 118.510 118.510 119.725 -1.215 19974 7294 1 9 . 1 1 114 114 VAL HA H 114 3.269 3.269 3.574 -0.305 19974 7295 1 9 . 1 1 114 114 VAL C C 114 177.330 177.330 177.183 0.147 19974 7296 1 9 . 1 1 114 114 VAL CA C 114 67.787 67.787 66.662 1.125 19974 7297 1 9 . 1 1 114 114 VAL CB C 114 31.600 31.600 31.919 -0.319 19974 7298 1 9 . 1 1 114 114 VAL H H 114 8.284 8.284 8.372 -0.088 19974 7299 1 9 . 1 1 115 115 ASP N N 115 119.440 119.440 119.643 -0.203 19974 7300 1 9 . 1 1 115 115 ASP HA H 115 4.261 4.261 4.440 -0.179 19974 7301 1 9 . 1 1 115 115 ASP C C 115 179.840 179.840 178.442 1.398 19974 7302 1 9 . 1 1 115 115 ASP CA C 115 56.950 56.950 57.531 -0.581 19974 7303 1 9 . 1 1 115 115 ASP CB C 115 39.840 39.840 40.766 -0.926 19974 7304 1 9 . 1 1 115 115 ASP H H 115 8.724 8.724 8.186 0.538 19974 7305 1 9 . 1 1 116 116 GLY N N 116 107.280 107.280 108.304 -1.024 19974 7306 1 9 . 1 1 116 116 GLY C C 116 174.130 174.130 176.371 -2.241 19974 7307 1 9 . 1 1 116 116 GLY CA C 116 47.190 47.190 47.145 0.045 19974 7308 1 9 . 1 1 116 116 GLY H H 116 8.370 8.370 7.960 0.410 19974 7309 1 9 . 1 1 117 117 ILE N N 117 123.350 123.350 122.362 0.988 19974 7310 1 9 . 1 1 117 117 ILE HA H 117 3.307 3.307 3.607 -0.300 19974 7311 1 9 . 1 1 117 117 ILE C C 117 176.750 176.750 177.299 -0.549 19974 7312 1 9 . 1 1 117 117 ILE CA C 117 66.168 66.168 65.468 0.700 19974 7313 1 9 . 1 1 117 117 ILE CB C 117 37.760 37.760 37.886 -0.126 19974 7314 1 9 . 1 1 117 117 ILE H H 117 8.573 8.573 8.272 0.301 19974 7315 1 9 . 1 1 118 118 GLU N N 118 119.220 119.220 121.016 -1.796 19974 7316 1 9 . 1 1 118 118 GLU HA H 118 4.003 4.003 3.815 0.188 19974 7317 1 9 . 1 1 118 118 GLU C C 118 180.600 180.600 178.876 1.724 19974 7318 1 9 . 1 1 118 118 GLU CA C 118 59.472 59.472 60.095 -0.623 19974 7319 1 9 . 1 1 118 118 GLU CB C 118 29.310 29.310 29.532 -0.222 19974 7320 1 9 . 1 1 118 118 GLU H H 118 7.998 7.998 8.185 -0.187 19974 7321 1 9 . 1 1 119 119 LYS N N 119 118.270 118.270 118.715 -0.445 19974 7322 1 9 . 1 1 119 119 LYS HA H 119 3.897 3.897 4.014 -0.117 19974 7323 1 9 . 1 1 119 119 LYS C C 119 179.040 179.040 178.892 0.148 19974 7324 1 9 . 1 1 119 119 LYS CA C 119 58.090 58.090 59.065 -0.974 19974 7325 1 9 . 1 1 119 119 LYS CB C 119 31.340 31.340 32.286 -0.946 19974 7326 1 9 . 1 1 119 119 LYS H H 119 7.846 7.846 8.143 -0.297 19974 7327 1 9 . 1 1 120 120 ALA N N 120 125.280 125.280 122.573 2.707 19974 7328 1 9 . 1 1 120 120 ALA HA H 120 4.195 4.195 3.943 0.252 19974 7329 1 9 . 1 1 120 120 ALA C C 120 180.230 180.230 179.454 0.776 19974 7330 1 9 . 1 1 120 120 ALA CA C 120 55.040 55.040 55.027 0.013 19974 7331 1 9 . 1 1 120 120 ALA CB C 120 17.380 17.380 18.260 -0.880 19974 7332 1 9 . 1 1 120 120 ALA H H 120 9.092 9.092 7.966 1.126 19974 7333 1 9 . 1 1 121 121 GLY N N 121 104.130 104.130 106.808 -2.678 19974 7334 1 9 . 1 1 121 121 GLY C C 121 174.930 174.930 176.449 -1.519 19974 7335 1 9 . 1 1 121 121 GLY CA C 121 47.590 47.590 47.156 0.435 19974 7336 1 9 . 1 1 121 121 GLY H H 121 8.606 8.606 8.551 0.055 19974 7337 1 9 . 1 1 122 122 MET N N 122 117.000 117.000 120.519 -3.519 19974 7338 1 9 . 1 1 122 122 MET HA H 122 4.183 4.183 4.236 -0.053 19974 7339 1 9 . 1 1 122 122 MET C C 122 178.500 178.500 178.214 0.286 19974 7340 1 9 . 1 1 122 122 MET CA C 122 57.470 57.470 57.143 0.327 19974 7341 1 9 . 1 1 122 122 MET CB C 122 32.200 32.200 31.699 0.501 19974 7342 1 9 . 1 1 122 122 MET H H 122 7.284 7.284 8.090 -0.806 19974 7343 1 9 . 1 1 123 123 ALA N N 123 124.060 124.060 120.829 3.231 19974 7344 1 9 . 1 1 123 123 ALA HA H 123 4.076 4.076 4.320 -0.244 19974 7345 1 9 . 1 1 123 123 ALA C C 123 180.880 180.880 180.633 0.247 19974 7346 1 9 . 1 1 123 123 ALA CA C 123 54.760 54.760 54.519 0.241 19974 7347 1 9 . 1 1 123 123 ALA CB C 123 17.590 17.590 18.762 -1.172 19974 7348 1 9 . 1 1 123 123 ALA H H 123 8.308 8.308 8.068 0.240 19974 7349 1 9 . 1 1 124 124 LEU N N 124 117.060 117.060 120.489 -3.429 19974 7350 1 9 . 1 1 124 124 LEU HA H 124 4.270 4.270 4.227 0.043 19974 7351 1 9 . 1 1 124 124 LEU C C 124 179.170 179.170 178.989 0.181 19974 7352 1 9 . 1 1 124 124 LEU CA C 124 57.840 57.840 57.865 -0.025 19974 7353 1 9 . 1 1 124 124 LEU CB C 124 42.920 42.920 41.877 1.043 19974 7354 1 9 . 1 1 124 124 LEU H H 124 8.871 8.871 8.769 0.102 19974 7355 1 9 . 1 1 125 125 ALA N N 125 120.950 120.950 120.350 0.600 19974 7356 1 9 . 1 1 125 125 ALA HA H 125 3.956 3.956 4.477 -0.521 19974 7357 1 9 . 1 1 125 125 ALA C C 125 177.740 177.740 179.058 -1.318 19974 7358 1 9 . 1 1 125 125 ALA CA C 125 55.220 55.220 54.441 0.779 19974 7359 1 9 . 1 1 125 125 ALA CB C 125 19.180 19.180 18.379 0.801 19974 7360 1 9 . 1 1 125 125 ALA H H 125 7.829 7.829 8.515 -0.686 19974 7361 1 9 . 1 1 126 126 LYS N N 126 113.320 113.320 118.147 -4.827 19974 7362 1 9 . 1 1 126 126 LYS HA H 126 3.798 3.798 4.090 -0.292 19974 7363 1 9 . 1 1 126 126 LYS C C 126 176.550 176.550 177.711 -1.161 19974 7364 1 9 . 1 1 126 126 LYS CA C 126 58.490 58.490 58.531 -0.041 19974 7365 1 9 . 1 1 126 126 LYS CB C 126 32.620 32.620 32.749 -0.129 19974 7366 1 9 . 1 1 126 126 LYS H H 126 6.971 6.971 7.787 -0.816 19974 7367 1 9 . 1 1 127 127 TYR N N 127 113.850 113.850 115.961 -2.111 19974 7368 1 9 . 1 1 127 127 TYR HA H 127 4.067 4.067 4.167 -0.100 19974 7369 1 9 . 1 1 127 127 TYR C C 127 174.390 174.390 175.592 -1.202 19974 7370 1 9 . 1 1 127 127 TYR CA C 127 58.770 58.770 59.601 -0.831 19974 7371 1 9 . 1 1 127 127 TYR CB C 127 41.930 41.930 39.672 2.258 19974 7372 1 9 . 1 1 127 127 TYR H H 127 6.817 6.817 7.676 -0.859 19974 7373 1 9 . 1 1 128 128 PHE N N 128 116.130 116.130 117.173 -1.043 19974 7374 1 9 . 1 1 128 128 PHE HA H 128 4.907 4.907 5.058 -0.151 19974 7375 1 9 . 1 1 128 128 PHE C C 128 172.450 172.450 173.381 -0.931 19974 7376 1 9 . 1 1 128 128 PHE CA C 128 55.003 55.003 54.617 0.386 19974 7377 1 9 . 1 1 128 128 PHE CB C 128 38.550 38.550 39.911 -1.361 19974 7378 1 9 . 1 1 128 128 PHE H H 128 8.688 8.688 8.577 0.111 19974 7379 1 9 . 1 1 129 129 PRO HA H 129 4.680 4.680 4.657 0.023 19974 7380 1 9 . 1 1 129 129 PRO C C 129 175.720 175.720 176.670 -0.950 19974 7381 1 9 . 1 1 129 129 PRO CA C 129 63.382 63.382 62.607 0.775 19974 7382 1 9 . 1 1 129 129 PRO CB C 129 31.810 31.810 32.439 -0.629 19974 7383 1 9 . 1 1 130 130 TRP N N 130 123.170 123.170 125.814 -2.644 19974 7384 1 9 . 1 1 130 130 TRP HA H 130 4.031 4.031 4.558 -0.527 19974 7385 1 9 . 1 1 130 130 TRP C C 130 175.310 175.310 175.941 -0.631 19974 7386 1 9 . 1 1 130 130 TRP CA C 130 59.510 59.510 58.317 1.193 19974 7387 1 9 . 1 1 130 130 TRP CB C 130 29.300 29.300 30.377 -1.077 19974 7388 1 9 . 1 1 130 130 TRP H H 130 7.910 7.910 8.548 -0.638 19974 7389 1 9 . 1 1 131 131 LYS N N 131 127.060 127.060 124.671 2.389 19974 7390 1 9 . 1 1 131 131 LYS HA H 131 4.260 4.260 4.329 -0.069 19974 7391 1 9 . 1 1 131 131 LYS C C 131 174.450 174.450 175.544 -1.094 19974 7392 1 9 . 1 1 131 131 LYS CA C 131 53.240 53.240 54.335 -1.095 19974 7393 1 9 . 1 1 131 131 LYS CB C 131 35.250 35.250 35.620 -0.370 19974 7394 1 9 . 1 1 131 131 LYS H H 131 8.097 8.097 7.036 1.061 19974 7395 1 9 . 1 1 132 132 LYS N N 132 116.250 116.250 121.224 -4.974 19974 7396 1 9 . 1 1 132 132 LYS HA H 132 3.398 3.398 3.573 -0.175 19974 7397 1 9 . 1 1 132 132 LYS C C 132 176.550 176.550 176.164 0.386 19974 7398 1 9 . 1 1 132 132 LYS CA C 132 58.140 58.140 57.952 0.188 19974 7399 1 9 . 1 1 132 132 LYS CB C 132 31.880 31.880 32.363 -0.483 19974 7400 1 9 . 1 1 132 132 LYS H H 132 7.761 7.761 8.331 -0.570 19974 7401 1 9 . 1 1 133 133 ASP N N 133 116.600 116.600 117.743 -1.143 19974 7402 1 9 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.689 -0.338 19974 7403 1 9 . 1 1 133 133 ASP C C 133 175.320 175.320 175.637 -0.317 19974 7404 1 9 . 1 1 133 133 ASP CA C 133 52.520 52.520 53.304 -0.784 19974 7405 1 9 . 1 1 133 133 ASP CB C 133 38.720 38.720 40.177 -1.457 19974 7406 1 9 . 1 1 133 133 ASP H H 133 7.633 7.633 7.718 -0.085 19974 7407 1 9 . 1 1 134 134 ASP N N 134 119.140 119.140 120.835 -1.695 19974 7408 1 9 . 1 1 134 134 ASP HA H 134 3.989 3.989 4.433 -0.444 19974 7409 1 9 . 1 1 134 134 ASP C C 134 175.500 175.500 176.296 -0.796 19974 7410 1 9 . 1 1 134 134 ASP CA C 134 56.410 56.410 54.294 2.116 19974 7411 1 9 . 1 1 134 134 ASP CB C 134 42.740 42.740 42.169 0.571 19974 7412 1 9 . 1 1 134 134 ASP H H 134 7.251 7.251 7.285 -0.034 19974 7413 1 9 . 1 1 135 135 ILE N N 135 123.230 123.230 118.509 4.721 19974 7414 1 9 . 1 1 135 135 ILE HA H 135 4.301 4.301 4.413 -0.112 19974 7415 1 9 . 1 1 135 135 ILE C C 135 176.300 176.300 174.816 1.484 19974 7416 1 9 . 1 1 135 135 ILE CA C 135 58.640 58.640 59.875 -1.235 19974 7417 1 9 . 1 1 135 135 ILE CB C 135 40.800 40.800 40.506 0.294 19974 7418 1 9 . 1 1 135 135 ILE H H 135 8.351 8.351 8.202 0.149 19974 7419 1 9 . 1 1 136 136 ASP N N 136 131.670 131.670 127.742 3.928 19974 7420 1 9 . 1 1 136 136 ASP HA H 136 5.640 5.640 4.898 0.742 19974 7421 1 9 . 1 1 136 136 ASP C C 136 176.150 176.150 175.853 0.297 19974 7422 1 9 . 1 1 136 136 ASP CA C 136 52.560 52.560 53.518 -0.958 19974 7423 1 9 . 1 1 136 136 ASP CB C 136 38.180 38.180 40.720 -2.540 19974 7424 1 9 . 1 1 136 136 ASP H H 136 9.036 9.036 8.575 0.461 19974 7425 1 9 . 1 1 137 137 GLU N N 137 125.270 125.270 122.353 2.917 19974 7426 1 9 . 1 1 137 137 GLU HA H 137 3.735 3.735 4.386 -0.651 19974 7427 1 9 . 1 1 137 137 GLU C C 137 176.110 176.110 176.240 -0.130 19974 7428 1 9 . 1 1 137 137 GLU CA C 137 59.490 59.490 56.819 2.671 19974 7429 1 9 . 1 1 137 137 GLU CB C 137 32.880 32.880 30.469 2.411 19974 7430 1 9 . 1 1 137 137 GLU H H 137 8.435 8.435 9.351 -0.916 19974 7431 1 9 . 1 1 138 138 LEU N N 138 117.210 117.210 121.431 -4.221 19974 7432 1 9 . 1 1 138 138 LEU HA H 138 4.960 4.960 4.637 0.323 19974 7433 1 9 . 1 1 138 138 LEU C C 138 173.560 173.560 174.880 -1.320 19974 7434 1 9 . 1 1 138 138 LEU CA C 138 50.310 50.310 52.209 -1.899 19974 7435 1 9 . 1 1 138 138 LEU CB C 138 41.350 41.350 42.639 -1.289 19974 7436 1 9 . 1 1 138 138 LEU H H 138 8.308 8.308 8.140 0.168 19974 7437 1 9 . 1 1 139 139 PRO HA H 139 4.335 4.335 4.621 -0.286 19974 7438 1 9 . 1 1 139 139 PRO C C 139 177.700 177.700 176.114 1.586 19974 7439 1 9 . 1 1 139 139 PRO CA C 139 62.550 62.550 62.032 0.518 19974 7440 1 9 . 1 1 139 139 PRO CB C 139 32.520 32.520 33.151 -0.631 19974 7441 1 9 . 1 1 140 140 ASN N N 140 120.930 120.930 116.813 4.117 19974 7442 1 9 . 1 1 140 140 ASN HA H 140 4.730 4.730 4.583 0.147 19974 7443 1 9 . 1 1 140 140 ASN C C 140 174.460 174.460 174.970 -0.510 19974 7444 1 9 . 1 1 140 140 ASN CA C 140 52.790 52.790 53.608 -0.818 19974 7445 1 9 . 1 1 140 140 ASN CB C 140 38.520 38.520 38.395 0.126 19974 7446 1 9 . 1 1 140 140 ASN H H 140 9.213 9.213 8.635 0.578 19974 7447 1 9 . 1 1 141 141 THR N N 141 107.730 107.730 110.422 -2.692 19974 7448 1 9 . 1 1 141 141 THR HA H 141 3.853 3.853 4.238 -0.385 19974 7449 1 9 . 1 1 141 141 THR C C 141 176.410 176.410 174.104 2.306 19974 7450 1 9 . 1 1 141 141 THR CA C 141 61.560 61.560 60.953 0.607 19974 7451 1 9 . 1 1 141 141 THR CB C 141 69.450 69.450 70.299 -0.849 19974 7452 1 9 . 1 1 141 141 THR H H 141 7.003 7.003 7.423 -0.420 19974 7453 1 9 . 1 1 142 142 ILE N N 142 129.530 129.530 121.506 8.024 19974 7454 1 9 . 1 1 142 142 ILE HA H 142 3.976 3.976 4.203 -0.227 19974 7455 1 9 . 1 1 142 142 ILE C C 142 176.020 176.020 175.864 0.156 19974 7456 1 9 . 1 1 142 142 ILE CA C 142 62.150 62.150 59.797 2.353 19974 7457 1 9 . 1 1 142 142 ILE CB C 142 37.890 37.890 36.843 1.047 19974 7458 1 9 . 1 1 142 142 ILE H H 142 9.030 9.030 8.409 0.621 19974 7459 1 9 . 1 1 143 143 SER N N 143 124.630 124.630 124.140 0.490 19974 7460 1 9 . 1 1 143 143 SER HA H 143 4.481 4.481 4.481 0.000 19974 7461 1 9 . 1 1 143 143 SER C C 143 172.920 172.920 173.394 -0.474 19974 7462 1 9 . 1 1 143 143 SER CA C 143 57.120 57.120 58.491 -1.371 19974 7463 1 9 . 1 1 143 143 SER CB C 143 60.710 60.710 64.087 -3.377 19974 7464 1 9 . 1 1 143 143 SER H H 143 8.709 8.709 8.724 -0.015 19974 7465 1 9 . 1 1 144 144 LYS N N 144 126.170 126.170 122.935 3.235 19974 7466 1 9 . 1 1 144 144 LYS HA H 144 4.954 4.954 4.824 0.130 19974 7467 1 9 . 1 1 144 144 LYS C C 144 175.910 175.910 176.565 -0.655 19974 7468 1 9 . 1 1 144 144 LYS CA C 144 54.580 54.580 54.952 -0.372 19974 7469 1 9 . 1 1 144 144 LYS CB C 144 35.170 35.170 35.821 -0.651 19974 7470 1 9 . 1 1 144 144 LYS H H 144 8.043 8.043 8.290 -0.247 19974 7471 1 10 . 1 1 3 3 LYS HA H 3 4.317 4.317 4.045 0.272 19974 7472 1 10 . 1 1 3 3 LYS C C 3 176.840 176.840 177.963 -1.123 19974 7473 1 10 . 1 1 3 3 LYS CA C 3 56.180 56.180 58.910 -2.730 19974 7474 1 10 . 1 1 3 3 LYS CB C 3 33.030 33.030 32.286 0.744 19974 7475 1 10 . 1 1 4 4 ILE N N 4 122.990 122.990 112.436 10.554 19974 7476 1 10 . 1 1 4 4 ILE HA H 4 3.919 3.919 3.974 -0.055 19974 7477 1 10 . 1 1 4 4 ILE C C 4 176.120 176.120 177.055 -0.935 19974 7478 1 10 . 1 1 4 4 ILE CA C 4 61.530 61.530 62.065 -0.535 19974 7479 1 10 . 1 1 4 4 ILE CB C 4 38.040 38.040 38.026 0.014 19974 7480 1 10 . 1 1 4 4 ILE H H 4 8.391 8.391 7.291 1.100 19974 7481 1 10 . 1 1 5 5 GLU N N 5 123.430 123.430 120.032 3.398 19974 7482 1 10 . 1 1 5 5 GLU HA H 5 4.116 4.116 4.094 0.022 19974 7483 1 10 . 1 1 5 5 GLU C C 5 175.830 175.830 176.887 -1.057 19974 7484 1 10 . 1 1 5 5 GLU CA C 5 56.900 56.900 58.187 -1.287 19974 7485 1 10 . 1 1 5 5 GLU CB C 5 29.350 29.350 30.500 -1.150 19974 7486 1 10 . 1 1 5 5 GLU H H 5 8.508 8.508 7.953 0.555 19974 7487 1 10 . 1 1 6 6 GLU N N 6 119.490 119.490 115.452 4.038 19974 7488 1 10 . 1 1 6 6 GLU HA H 6 4.128 4.128 4.369 -0.241 19974 7489 1 10 . 1 1 6 6 GLU C C 6 176.270 176.270 175.217 1.053 19974 7490 1 10 . 1 1 6 6 GLU CA C 6 55.700 55.700 55.613 0.087 19974 7491 1 10 . 1 1 6 6 GLU CB C 6 30.190 30.190 31.755 -1.565 19974 7492 1 10 . 1 1 6 6 GLU H H 6 7.843 7.843 7.401 0.442 19974 7493 1 10 . 1 1 7 7 PHE N N 7 121.090 121.090 121.257 -0.167 19974 7494 1 10 . 1 1 7 7 PHE HA H 7 4.284 4.284 4.614 -0.330 19974 7495 1 10 . 1 1 7 7 PHE C C 7 174.810 174.810 175.960 -1.150 19974 7496 1 10 . 1 1 7 7 PHE CA C 7 59.660 59.660 59.770 -0.110 19974 7497 1 10 . 1 1 7 7 PHE CB C 7 39.990 39.990 39.839 0.151 19974 7498 1 10 . 1 1 7 7 PHE H H 7 8.092 8.092 8.742 -0.650 19974 7499 1 10 . 1 1 8 8 LEU N N 8 116.700 116.700 117.499 -0.799 19974 7500 1 10 . 1 1 8 8 LEU HA H 8 4.792 4.792 4.901 -0.109 19974 7501 1 10 . 1 1 8 8 LEU C C 8 176.940 176.940 176.277 0.663 19974 7502 1 10 . 1 1 8 8 LEU CA C 8 52.730 52.730 52.826 -0.096 19974 7503 1 10 . 1 1 8 8 LEU CB C 8 45.650 45.650 45.778 -0.127 19974 7504 1 10 . 1 1 8 8 LEU H H 8 7.721 7.721 7.815 -0.094 19974 7505 1 10 . 1 1 9 9 THR N N 9 113.700 113.700 116.465 -2.765 19974 7506 1 10 . 1 1 9 9 THR HA H 9 4.397 4.397 4.351 0.046 19974 7507 1 10 . 1 1 9 9 THR C C 9 175.410 175.410 175.987 -0.577 19974 7508 1 10 . 1 1 9 9 THR CA C 9 60.650 60.650 62.653 -2.003 19974 7509 1 10 . 1 1 9 9 THR CB C 9 70.800 70.800 70.061 0.739 19974 7510 1 10 . 1 1 9 9 THR H H 9 9.224 9.224 8.246 0.978 19974 7511 1 10 . 1 1 10 10 ALA N N 10 123.350 123.350 128.156 -4.806 19974 7512 1 10 . 1 1 10 10 ALA HA H 10 4.036 4.036 3.974 0.062 19974 7513 1 10 . 1 1 10 10 ALA C C 10 181.050 181.050 179.782 1.268 19974 7514 1 10 . 1 1 10 10 ALA CA C 10 55.500 55.500 55.489 0.011 19974 7515 1 10 . 1 1 10 10 ALA CB C 10 17.914 17.914 18.292 -0.378 19974 7516 1 10 . 1 1 10 10 ALA H H 10 8.881 8.881 9.133 -0.252 19974 7517 1 10 . 1 1 11 11 GLU N N 11 117.680 117.680 116.966 0.714 19974 7518 1 10 . 1 1 11 11 GLU HA H 11 3.949 3.949 4.076 -0.127 19974 7519 1 10 . 1 1 11 11 GLU C C 11 179.500 179.500 179.234 0.266 19974 7520 1 10 . 1 1 11 11 GLU CA C 11 59.490 59.490 59.218 0.273 19974 7521 1 10 . 1 1 11 11 GLU CB C 11 29.120 29.120 29.260 -0.140 19974 7522 1 10 . 1 1 11 11 GLU H H 11 8.460 8.460 8.961 -0.501 19974 7523 1 10 . 1 1 12 12 GLU N N 12 121.860 121.860 120.098 1.762 19974 7524 1 10 . 1 1 12 12 GLU HA H 12 3.818 3.818 4.210 -0.392 19974 7525 1 10 . 1 1 12 12 GLU C C 12 178.130 178.130 178.784 -0.654 19974 7526 1 10 . 1 1 12 12 GLU CA C 12 59.210 59.210 58.870 0.341 19974 7527 1 10 . 1 1 12 12 GLU CB C 12 30.800 30.800 30.012 0.788 19974 7528 1 10 . 1 1 12 12 GLU H H 12 7.698 7.698 8.163 -0.465 19974 7529 1 10 . 1 1 13 13 GLU N N 13 118.170 118.170 120.334 -2.164 19974 7530 1 10 . 1 1 13 13 GLU HA H 13 3.640 3.640 3.972 -0.332 19974 7531 1 10 . 1 1 13 13 GLU C C 13 178.070 178.070 178.658 -0.588 19974 7532 1 10 . 1 1 13 13 GLU CA C 13 60.539 60.539 59.521 1.018 19974 7533 1 10 . 1 1 13 13 GLU CB C 13 29.130 29.130 29.570 -0.440 19974 7534 1 10 . 1 1 13 13 GLU H H 13 8.493 8.493 8.508 -0.015 19974 7535 1 10 . 1 1 14 14 LYS N N 14 117.980 117.980 119.549 -1.569 19974 7536 1 10 . 1 1 14 14 LYS HA H 14 3.887 3.887 3.986 -0.099 19974 7537 1 10 . 1 1 14 14 LYS C C 14 177.420 177.420 178.318 -0.898 19974 7538 1 10 . 1 1 14 14 LYS CA C 14 59.350 59.350 59.674 -0.324 19974 7539 1 10 . 1 1 14 14 LYS CB C 14 32.200 32.200 32.412 -0.212 19974 7540 1 10 . 1 1 14 14 LYS H H 14 7.650 7.650 8.213 -0.563 19974 7541 1 10 . 1 1 15 15 ALA N N 15 119.210 119.210 121.226 -2.016 19974 7542 1 10 . 1 1 15 15 ALA HA H 15 4.098 4.098 4.109 -0.011 19974 7543 1 10 . 1 1 15 15 ALA C C 15 180.550 180.550 179.796 0.754 19974 7544 1 10 . 1 1 15 15 ALA CA C 15 54.600 54.600 54.729 -0.129 19974 7545 1 10 . 1 1 15 15 ALA CB C 15 17.790 17.790 18.438 -0.648 19974 7546 1 10 . 1 1 15 15 ALA H H 15 7.362 7.362 7.533 -0.171 19974 7547 1 10 . 1 1 16 16 ILE N N 16 119.990 119.990 119.455 0.535 19974 7548 1 10 . 1 1 16 16 ILE HA H 16 3.493 3.493 3.700 -0.207 19974 7549 1 10 . 1 1 16 16 ILE C C 16 176.510 176.510 177.551 -1.041 19974 7550 1 10 . 1 1 16 16 ILE CA C 16 65.072 65.072 64.124 0.949 19974 7551 1 10 . 1 1 16 16 ILE CB C 16 37.580 37.580 38.397 -0.817 19974 7552 1 10 . 1 1 16 16 ILE H H 16 7.592 7.592 7.462 0.130 19974 7553 1 10 . 1 1 17 17 VAL N N 17 121.520 121.520 121.516 0.004 19974 7554 1 10 . 1 1 17 17 VAL HA H 17 3.504 3.504 3.536 -0.032 19974 7555 1 10 . 1 1 17 17 VAL C C 17 178.620 178.620 178.076 0.544 19974 7556 1 10 . 1 1 17 17 VAL CA C 17 67.324 67.324 66.927 0.397 19974 7557 1 10 . 1 1 17 17 VAL CB C 17 31.350 31.350 31.622 -0.272 19974 7558 1 10 . 1 1 17 17 VAL H H 17 8.155 8.155 8.505 -0.350 19974 7559 1 10 . 1 1 18 18 ASP N N 18 120.000 120.000 119.055 0.945 19974 7560 1 10 . 1 1 18 18 ASP HA H 18 4.223 4.223 4.352 -0.129 19974 7561 1 10 . 1 1 18 18 ASP C C 18 177.980 177.980 177.813 0.167 19974 7562 1 10 . 1 1 18 18 ASP CA C 18 57.050 57.050 57.043 0.007 19974 7563 1 10 . 1 1 18 18 ASP CB C 18 39.410 39.410 40.239 -0.828 19974 7564 1 10 . 1 1 18 18 ASP H H 18 8.605 8.605 8.225 0.380 19974 7565 1 10 . 1 1 19 19 ALA N N 19 122.620 122.620 122.148 0.472 19974 7566 1 10 . 1 1 19 19 ALA HA H 19 4.194 4.194 4.124 0.070 19974 7567 1 10 . 1 1 19 19 ALA C C 19 180.720 180.720 179.483 1.237 19974 7568 1 10 . 1 1 19 19 ALA CA C 19 54.970 54.970 54.627 0.343 19974 7569 1 10 . 1 1 19 19 ALA CB C 19 17.850 17.850 18.541 -0.691 19974 7570 1 10 . 1 1 19 19 ALA H H 19 7.702 7.702 7.341 0.361 19974 7571 1 10 . 1 1 20 20 ILE N N 20 122.620 122.620 119.495 3.125 19974 7572 1 10 . 1 1 20 20 ILE HA H 20 3.309 3.309 3.554 -0.245 19974 7573 1 10 . 1 1 20 20 ILE C C 20 176.740 176.740 177.864 -1.124 19974 7574 1 10 . 1 1 20 20 ILE CA C 20 66.830 66.830 65.703 1.127 19974 7575 1 10 . 1 1 20 20 ILE CB C 20 38.140 38.140 37.835 0.305 19974 7576 1 10 . 1 1 20 20 ILE H H 20 8.234 8.234 7.778 0.456 19974 7577 1 10 . 1 1 21 21 ARG N N 21 119.660 119.660 118.748 0.912 19974 7578 1 10 . 1 1 21 21 ARG HA H 21 3.899 3.899 3.990 -0.091 19974 7579 1 10 . 1 1 21 21 ARG C C 21 179.540 179.540 178.549 0.991 19974 7580 1 10 . 1 1 21 21 ARG CA C 21 58.990 58.990 59.514 -0.524 19974 7581 1 10 . 1 1 21 21 ARG CB C 21 29.020 29.020 29.959 -0.939 19974 7582 1 10 . 1 1 21 21 ARG H H 21 8.212 8.212 7.635 0.577 19974 7583 1 10 . 1 1 22 22 ASP N N 22 118.640 118.640 118.427 0.213 19974 7584 1 10 . 1 1 22 22 ASP HA H 22 4.239 4.239 4.508 -0.269 19974 7585 1 10 . 1 1 22 22 ASP C C 22 179.190 179.190 177.009 2.181 19974 7586 1 10 . 1 1 22 22 ASP CA C 22 57.270 57.270 56.261 1.009 19974 7587 1 10 . 1 1 22 22 ASP CB C 22 39.770 39.770 40.543 -0.773 19974 7588 1 10 . 1 1 22 22 ASP H H 22 8.137 8.137 7.798 0.339 19974 7589 1 10 . 1 1 23 23 ALA N N 23 126.120 126.120 122.361 3.759 19974 7590 1 10 . 1 1 23 23 ALA HA H 23 4.207 4.207 4.198 0.009 19974 7591 1 10 . 1 1 23 23 ALA C C 23 181.060 181.060 179.738 1.322 19974 7592 1 10 . 1 1 23 23 ALA CA C 23 55.430 55.430 54.194 1.236 19974 7593 1 10 . 1 1 23 23 ALA CB C 23 18.690 18.690 19.331 -0.641 19974 7594 1 10 . 1 1 23 23 ALA H H 23 8.500 8.500 7.584 0.916 19974 7595 1 10 . 1 1 24 24 GLU N N 24 115.460 115.460 118.303 -2.843 19974 7596 1 10 . 1 1 24 24 GLU HA H 24 4.213 4.213 4.267 -0.054 19974 7597 1 10 . 1 1 24 24 GLU C C 24 176.390 176.390 177.868 -1.478 19974 7598 1 10 . 1 1 24 24 GLU CA C 24 58.180 58.180 58.537 -0.357 19974 7599 1 10 . 1 1 24 24 GLU CB C 24 28.200 28.200 29.206 -1.006 19974 7600 1 10 . 1 1 24 24 GLU H H 24 8.451 8.451 7.908 0.543 19974 7601 1 10 . 1 1 25 25 LYS N N 25 115.790 115.790 115.627 0.163 19974 7602 1 10 . 1 1 25 25 LYS HA H 25 3.739 3.739 4.056 -0.317 19974 7603 1 10 . 1 1 25 25 LYS C C 25 176.020 176.020 176.135 -0.115 19974 7604 1 10 . 1 1 25 25 LYS CA C 25 56.220 56.220 57.075 -0.855 19974 7605 1 10 . 1 1 25 25 LYS CB C 25 32.070 32.070 31.776 0.294 19974 7606 1 10 . 1 1 25 25 LYS H H 25 7.083 7.083 7.770 -0.687 19974 7607 1 10 . 1 1 26 26 ASN N N 26 115.060 115.060 115.852 -0.792 19974 7608 1 10 . 1 1 26 26 ASN HA H 26 4.749 4.749 4.794 -0.045 19974 7609 1 10 . 1 1 26 26 ASN C C 26 174.280 174.280 174.031 0.249 19974 7610 1 10 . 1 1 26 26 ASN CA C 26 53.050 53.050 53.314 -0.264 19974 7611 1 10 . 1 1 26 26 ASN CB C 26 40.410 40.410 41.362 -0.952 19974 7612 1 10 . 1 1 26 26 ASN H H 26 7.931 7.931 7.829 0.102 19974 7613 1 10 . 1 1 27 27 THR N N 27 113.430 113.430 112.540 0.890 19974 7614 1 10 . 1 1 27 27 THR HA H 27 5.507 5.507 4.897 0.610 19974 7615 1 10 . 1 1 27 27 THR C C 27 170.850 170.850 173.266 -2.416 19974 7616 1 10 . 1 1 27 27 THR CA C 27 57.130 57.130 60.869 -3.739 19974 7617 1 10 . 1 1 27 27 THR CB C 27 70.200 70.200 69.697 0.503 19974 7618 1 10 . 1 1 27 27 THR H H 27 7.619 7.619 7.644 -0.025 19974 7619 1 10 . 1 1 28 28 SER N N 28 119.450 119.450 118.469 0.981 19974 7620 1 10 . 1 1 28 28 SER HA H 28 4.773 4.773 4.695 0.078 19974 7621 1 10 . 1 1 28 28 SER C C 28 176.330 176.330 174.257 2.073 19974 7622 1 10 . 1 1 28 28 SER CA C 28 58.913 58.913 59.140 -0.227 19974 7623 1 10 . 1 1 28 28 SER CB C 28 64.360 64.360 62.759 1.601 19974 7624 1 10 . 1 1 28 28 SER H H 28 7.706 7.706 8.470 -0.764 19974 7625 1 10 . 1 1 29 29 GLY N N 29 111.350 111.350 108.984 2.366 19974 7626 1 10 . 1 1 29 29 GLY C C 29 171.210 171.210 172.999 -1.789 19974 7627 1 10 . 1 1 29 29 GLY CA C 29 44.643 44.643 43.953 0.691 19974 7628 1 10 . 1 1 29 29 GLY H H 29 9.011 9.011 7.432 1.579 19974 7629 1 10 . 1 1 30 30 GLU N N 30 120.620 120.620 124.680 -4.060 19974 7630 1 10 . 1 1 30 30 GLU HA H 30 4.867 4.867 4.950 -0.083 19974 7631 1 10 . 1 1 30 30 GLU C C 30 174.500 174.500 175.574 -1.074 19974 7632 1 10 . 1 1 30 30 GLU CA C 30 54.320 54.320 55.313 -0.993 19974 7633 1 10 . 1 1 30 30 GLU CB C 30 34.030 34.030 32.350 1.680 19974 7634 1 10 . 1 1 30 30 GLU H H 30 6.897 6.897 8.193 -1.296 19974 7635 1 10 . 1 1 31 31 ILE N N 31 121.650 121.650 125.489 -3.839 19974 7636 1 10 . 1 1 31 31 ILE HA H 31 5.171 5.171 4.701 0.470 19974 7637 1 10 . 1 1 31 31 ILE C C 31 175.550 175.550 175.443 0.107 19974 7638 1 10 . 1 1 31 31 ILE CA C 31 59.740 59.740 60.419 -0.679 19974 7639 1 10 . 1 1 31 31 ILE CB C 31 42.520 42.520 39.378 3.142 19974 7640 1 10 . 1 1 31 31 ILE H H 31 8.546 8.546 8.073 0.473 19974 7641 1 10 . 1 1 32 32 ARG N N 32 121.690 121.690 127.030 -5.340 19974 7642 1 10 . 1 1 32 32 ARG HA H 32 4.951 4.951 4.827 0.124 19974 7643 1 10 . 1 1 32 32 ARG C C 32 173.740 173.740 174.884 -1.144 19974 7644 1 10 . 1 1 32 32 ARG CA C 32 55.220 55.220 52.913 2.307 19974 7645 1 10 . 1 1 32 32 ARG CB C 32 34.720 34.720 33.298 1.422 19974 7646 1 10 . 1 1 32 32 ARG H H 32 8.751 8.751 9.035 -0.284 19974 7647 1 10 . 1 1 33 33 VAL N N 33 120.770 120.770 119.192 1.578 19974 7648 1 10 . 1 1 33 33 VAL HA H 33 4.972 4.972 4.596 0.376 19974 7649 1 10 . 1 1 33 33 VAL C C 33 173.790 173.790 174.671 -0.881 19974 7650 1 10 . 1 1 33 33 VAL CA C 33 59.700 59.700 60.997 -1.297 19974 7651 1 10 . 1 1 33 33 VAL CB C 33 34.820 34.820 32.941 1.879 19974 7652 1 10 . 1 1 33 33 VAL H H 33 8.617 8.617 8.743 -0.126 19974 7653 1 10 . 1 1 34 34 HIS N N 34 125.000 125.000 125.651 -0.651 19974 7654 1 10 . 1 1 34 34 HIS HA H 34 5.743 5.743 5.240 0.503 19974 7655 1 10 . 1 1 34 34 HIS C C 34 172.790 172.790 172.978 -0.188 19974 7656 1 10 . 1 1 34 34 HIS CA C 34 54.370 54.370 54.184 0.186 19974 7657 1 10 . 1 1 34 34 HIS CB C 34 36.840 36.840 33.057 3.783 19974 7658 1 10 . 1 1 34 34 HIS H H 34 8.552 8.552 8.873 -0.321 19974 7659 1 10 . 1 1 35 35 LEU N N 35 124.400 124.400 127.682 -3.282 19974 7660 1 10 . 1 1 35 35 LEU HA H 35 4.800 4.800 4.792 0.008 19974 7661 1 10 . 1 1 35 35 LEU C C 35 174.490 174.490 174.019 0.471 19974 7662 1 10 . 1 1 35 35 LEU CA C 35 52.190 52.190 53.572 -1.382 19974 7663 1 10 . 1 1 35 35 LEU CB C 35 44.880 44.880 45.669 -0.789 19974 7664 1 10 . 1 1 35 35 LEU H H 35 8.006 8.006 8.161 -0.155 19974 7665 1 10 . 1 1 36 36 GLU N N 36 116.112 116.112 124.063 -7.951 19974 7666 1 10 . 1 1 36 36 GLU HA H 36 4.573 4.573 4.535 0.038 19974 7667 1 10 . 1 1 36 36 GLU C C 36 174.350 174.350 175.260 -0.910 19974 7668 1 10 . 1 1 36 36 GLU CA C 36 54.130 54.130 55.407 -1.276 19974 7669 1 10 . 1 1 36 36 GLU CB C 36 31.960 31.960 33.352 -1.393 19974 7670 1 10 . 1 1 36 36 GLU H H 36 8.235 8.235 8.197 0.038 19974 7671 1 10 . 1 1 37 37 LYS N N 37 121.210 121.210 121.643 -0.433 19974 7672 1 10 . 1 1 37 37 LYS HA H 37 3.731 3.731 4.207 -0.476 19974 7673 1 10 . 1 1 37 37 LYS C C 37 175.200 175.200 176.445 -1.245 19974 7674 1 10 . 1 1 37 37 LYS CA C 37 61.410 61.410 59.233 2.177 19974 7675 1 10 . 1 1 37 37 LYS CB C 37 33.090 33.090 33.225 -0.135 19974 7676 1 10 . 1 1 37 37 LYS H H 37 9.055 9.055 8.590 0.465 19974 7677 1 10 . 1 1 38 38 THR N N 38 107.310 107.310 109.124 -1.814 19974 7678 1 10 . 1 1 38 38 THR HA H 38 4.448 4.448 4.563 -0.115 19974 7679 1 10 . 1 1 38 38 THR C C 38 171.420 171.420 172.744 -1.324 19974 7680 1 10 . 1 1 38 38 THR CA C 38 59.530 59.530 60.805 -1.275 19974 7681 1 10 . 1 1 38 38 THR CB C 38 69.570 69.570 69.701 -0.131 19974 7682 1 10 . 1 1 38 38 THR H H 38 7.480 7.480 7.711 -0.231 19974 7683 1 10 . 1 1 39 39 SER N N 39 116.050 116.050 120.205 -4.155 19974 7684 1 10 . 1 1 39 39 SER HA H 39 4.641 4.641 4.842 -0.201 19974 7685 1 10 . 1 1 39 39 SER C C 39 175.590 175.590 174.561 1.029 19974 7686 1 10 . 1 1 39 39 SER CA C 39 57.340 57.340 57.496 -0.156 19974 7687 1 10 . 1 1 39 39 SER CB C 39 64.560 64.560 64.885 -0.325 19974 7688 1 10 . 1 1 39 39 SER H H 39 8.177 8.177 8.765 -0.588 19974 7689 1 10 . 1 1 40 40 GLU N N 40 124.630 124.630 123.255 1.375 19974 7690 1 10 . 1 1 40 40 GLU HA H 40 4.118 4.118 4.323 -0.205 19974 7691 1 10 . 1 1 40 40 GLU C C 40 176.520 176.520 176.875 -0.355 19974 7692 1 10 . 1 1 40 40 GLU CA C 40 58.100 58.100 57.317 0.783 19974 7693 1 10 . 1 1 40 40 GLU CB C 40 29.950 29.950 30.118 -0.168 19974 7694 1 10 . 1 1 40 40 GLU H H 40 8.905 8.905 8.699 0.206 19974 7695 1 10 . 1 1 41 41 ILE N N 41 113.290 113.290 112.752 0.538 19974 7696 1 10 . 1 1 41 41 ILE HA H 41 4.460 4.460 4.424 0.036 19974 7697 1 10 . 1 1 41 41 ILE C C 41 175.350 175.350 174.883 0.467 19974 7698 1 10 . 1 1 41 41 ILE CA C 41 59.490 59.490 58.957 0.533 19974 7699 1 10 . 1 1 41 41 ILE CB C 41 40.150 40.150 40.208 -0.058 19974 7700 1 10 . 1 1 41 41 ILE H H 41 7.446 7.446 7.320 0.126 19974 7701 1 10 . 1 1 42 42 ASP N N 42 122.230 122.230 121.096 1.134 19974 7702 1 10 . 1 1 42 42 ASP HA H 42 4.280 4.280 4.816 -0.536 19974 7703 1 10 . 1 1 42 42 ASP C C 42 177.430 177.430 177.428 0.002 19974 7704 1 10 . 1 1 42 42 ASP CA C 42 55.360 55.360 54.181 1.179 19974 7705 1 10 . 1 1 42 42 ASP CB C 42 42.690 42.690 41.292 1.398 19974 7706 1 10 . 1 1 42 42 ASP H H 42 8.271 8.271 8.597 -0.326 19974 7707 1 10 . 1 1 43 43 VAL N N 43 122.150 122.150 123.462 -1.312 19974 7708 1 10 . 1 1 43 43 VAL HA H 43 3.569 3.569 3.554 0.015 19974 7709 1 10 . 1 1 43 43 VAL C C 43 175.780 175.780 177.673 -1.893 19974 7710 1 10 . 1 1 43 43 VAL CA C 43 65.420 65.420 65.774 -0.354 19974 7711 1 10 . 1 1 43 43 VAL CB C 43 31.300 31.300 32.080 -0.780 19974 7712 1 10 . 1 1 43 43 VAL H H 43 8.160 8.160 8.562 -0.402 19974 7713 1 10 . 1 1 44 44 PHE N N 44 121.770 121.770 121.019 0.751 19974 7714 1 10 . 1 1 44 44 PHE HA H 44 3.892 3.892 4.087 -0.195 19974 7715 1 10 . 1 1 44 44 PHE C C 44 177.140 177.140 176.587 0.553 19974 7716 1 10 . 1 1 44 44 PHE CA C 44 62.190 62.190 61.393 0.797 19974 7717 1 10 . 1 1 44 44 PHE CB C 44 38.350 38.350 38.310 0.040 19974 7718 1 10 . 1 1 44 44 PHE H H 44 8.101 8.101 8.117 -0.016 19974 7719 1 10 . 1 1 45 45 ASP N N 45 119.540 119.540 118.929 0.611 19974 7720 1 10 . 1 1 45 45 ASP HA H 45 4.106 4.106 4.077 0.029 19974 7721 1 10 . 1 1 45 45 ASP C C 45 178.380 178.380 178.261 0.119 19974 7722 1 10 . 1 1 45 45 ASP CA C 45 57.010 57.010 57.148 -0.138 19974 7723 1 10 . 1 1 45 45 ASP CB C 45 37.900 37.900 40.461 -2.561 19974 7724 1 10 . 1 1 45 45 ASP H H 45 7.317 7.317 8.461 -1.144 19974 7725 1 10 . 1 1 46 46 ARG N N 46 119.920 119.920 119.653 0.267 19974 7726 1 10 . 1 1 46 46 ARG HA H 46 3.733 3.733 3.800 -0.067 19974 7727 1 10 . 1 1 46 46 ARG C C 46 176.750 176.750 178.019 -1.269 19974 7728 1 10 . 1 1 46 46 ARG CA C 46 57.136 57.136 59.209 -2.073 19974 7729 1 10 . 1 1 46 46 ARG CB C 46 28.590 28.590 30.084 -1.494 19974 7730 1 10 . 1 1 46 46 ARG H H 46 8.246 8.246 8.010 0.236 19974 7731 1 10 . 1 1 47 47 ALA N N 47 120.910 120.910 121.676 -0.766 19974 7732 1 10 . 1 1 47 47 ALA HA H 47 3.048 3.048 3.612 -0.564 19974 7733 1 10 . 1 1 47 47 ALA C C 47 177.810 177.810 178.824 -1.014 19974 7734 1 10 . 1 1 47 47 ALA CA C 47 55.010 55.010 54.870 0.140 19974 7735 1 10 . 1 1 47 47 ALA CB C 47 17.400 17.400 18.029 -0.629 19974 7736 1 10 . 1 1 47 47 ALA H H 47 7.803 7.803 7.945 -0.142 19974 7737 1 10 . 1 1 48 48 MET N N 48 115.800 115.800 118.819 -3.019 19974 7738 1 10 . 1 1 48 48 MET HA H 48 2.568 2.568 3.510 -0.942 19974 7739 1 10 . 1 1 48 48 MET C C 48 177.790 177.790 177.490 0.300 19974 7740 1 10 . 1 1 48 48 MET CA C 48 58.910 58.910 59.006 -0.096 19974 7741 1 10 . 1 1 48 48 MET CB C 48 32.750 32.750 32.064 0.686 19974 7742 1 10 . 1 1 48 48 MET H H 48 7.148 7.148 7.545 -0.397 19974 7743 1 10 . 1 1 49 49 ASP N N 49 121.130 121.130 119.605 1.525 19974 7744 1 10 . 1 1 49 49 ASP HA H 49 4.326 4.326 4.261 0.065 19974 7745 1 10 . 1 1 49 49 ASP C C 49 178.960 178.960 178.840 0.120 19974 7746 1 10 . 1 1 49 49 ASP CA C 49 57.330 57.330 57.414 -0.084 19974 7747 1 10 . 1 1 49 49 ASP CB C 49 40.180 40.180 40.801 -0.621 19974 7748 1 10 . 1 1 49 49 ASP H H 49 7.656 7.656 7.901 -0.245 19974 7749 1 10 . 1 1 50 50 VAL N N 50 122.030 122.030 119.924 2.106 19974 7750 1 10 . 1 1 50 50 VAL HA H 50 3.150 3.150 3.564 -0.414 19974 7751 1 10 . 1 1 50 50 VAL C C 50 176.610 176.610 177.814 -1.204 19974 7752 1 10 . 1 1 50 50 VAL CA C 50 66.980 66.980 66.410 0.570 19974 7753 1 10 . 1 1 50 50 VAL CB C 50 30.450 30.450 31.718 -1.268 19974 7754 1 10 . 1 1 50 50 VAL H H 50 8.506 8.506 8.197 0.309 19974 7755 1 10 . 1 1 51 51 PHE N N 51 120.010 120.010 120.745 -0.735 19974 7756 1 10 . 1 1 51 51 PHE HA H 51 3.701 3.701 4.188 -0.487 19974 7757 1 10 . 1 1 51 51 PHE C C 51 176.990 176.990 177.391 -0.401 19974 7758 1 10 . 1 1 51 51 PHE CA C 51 61.610 61.610 61.561 0.049 19974 7759 1 10 . 1 1 51 51 PHE CB C 51 39.350 39.350 39.254 0.096 19974 7760 1 10 . 1 1 51 51 PHE H H 51 8.236 8.236 8.458 -0.222 19974 7761 1 10 . 1 1 52 52 HIS N N 52 114.400 114.400 117.696 -3.296 19974 7762 1 10 . 1 1 52 52 HIS HA H 52 4.322 4.322 4.866 -0.544 19974 7763 1 10 . 1 1 52 52 HIS C C 52 179.389 179.389 178.567 0.822 19974 7764 1 10 . 1 1 52 52 HIS CA C 52 59.670 59.670 58.594 1.076 19974 7765 1 10 . 1 1 52 52 HIS CB C 52 28.380 28.380 29.964 -1.584 19974 7766 1 10 . 1 1 52 52 HIS H H 52 7.595 7.595 8.476 -0.881 19974 7767 1 10 . 1 1 53 53 ASN N N 53 125.300 125.300 119.304 5.996 19974 7768 1 10 . 1 1 53 53 ASN HA H 53 4.346 4.346 4.579 -0.233 19974 7769 1 10 . 1 1 53 53 ASN C C 53 177.560 177.560 176.931 0.629 19974 7770 1 10 . 1 1 53 53 ASN CA C 53 56.260 56.260 55.659 0.601 19974 7771 1 10 . 1 1 53 53 ASN CB C 53 38.020 38.020 38.362 -0.342 19974 7772 1 10 . 1 1 53 53 ASN H H 53 9.216 9.216 8.446 0.770 19974 7773 1 10 . 1 1 54 54 LEU N N 54 117.070 117.070 117.941 -0.871 19974 7774 1 10 . 1 1 54 54 LEU HA H 54 4.114 4.114 4.302 -0.188 19974 7775 1 10 . 1 1 54 54 LEU C C 54 175.780 175.780 175.902 -0.122 19974 7776 1 10 . 1 1 54 54 LEU CA C 54 54.400 54.400 55.076 -0.676 19974 7777 1 10 . 1 1 54 54 LEU CB C 54 42.810 42.810 41.836 0.974 19974 7778 1 10 . 1 1 54 54 LEU H H 54 8.270 8.270 7.812 0.458 19974 7779 1 10 . 1 1 55 55 LYS N N 55 116.580 116.580 115.184 1.396 19974 7780 1 10 . 1 1 55 55 LYS HA H 55 3.954 3.954 3.945 0.009 19974 7781 1 10 . 1 1 55 55 LYS C C 55 177.650 177.650 177.408 0.242 19974 7782 1 10 . 1 1 55 55 LYS CA C 55 56.630 56.630 57.405 -0.775 19974 7783 1 10 . 1 1 55 55 LYS CB C 55 28.110 28.110 29.760 -1.650 19974 7784 1 10 . 1 1 55 55 LYS H H 55 7.953 7.953 7.663 0.290 19974 7785 1 10 . 1 1 56 56 MET N N 56 114.460 114.460 116.433 -1.973 19974 7786 1 10 . 1 1 56 56 MET HA H 56 3.624 3.624 4.010 -0.386 19974 7787 1 10 . 1 1 56 56 MET C C 56 174.010 174.010 176.874 -2.864 19974 7788 1 10 . 1 1 56 56 MET CA C 56 56.800 56.800 58.532 -1.732 19974 7789 1 10 . 1 1 56 56 MET CB C 56 28.620 28.620 31.765 -3.145 19974 7790 1 10 . 1 1 56 56 MET H H 56 7.496 7.496 7.705 -0.209 19974 7791 1 10 . 1 1 57 57 ASP N N 57 113.610 113.610 119.185 -5.575 19974 7792 1 10 . 1 1 57 57 ASP HA H 57 4.490 4.490 4.802 -0.312 19974 7793 1 10 . 1 1 57 57 ASP C C 57 176.060 176.060 177.151 -1.091 19974 7794 1 10 . 1 1 57 57 ASP CA C 57 53.030 53.030 56.361 -3.331 19974 7795 1 10 . 1 1 57 57 ASP CB C 57 38.940 38.940 40.242 -1.302 19974 7796 1 10 . 1 1 57 57 ASP H H 57 8.921 8.921 8.609 0.312 19974 7797 1 10 . 1 1 58 58 ASN N N 58 119.880 119.880 118.256 1.624 19974 7798 1 10 . 1 1 58 58 ASN HA H 58 4.885 4.885 4.779 0.106 19974 7799 1 10 . 1 1 58 58 ASN C C 58 174.060 174.060 174.801 -0.741 19974 7800 1 10 . 1 1 58 58 ASN CA C 58 52.190 52.190 52.547 -0.357 19974 7801 1 10 . 1 1 58 58 ASN CB C 58 37.230 37.230 37.244 -0.014 19974 7802 1 10 . 1 1 58 58 ASN H H 58 7.070 7.070 7.768 -0.698 19974 7803 1 10 . 1 1 59 59 THR N N 59 108.570 108.570 109.911 -1.341 19974 7804 1 10 . 1 1 59 59 THR HA H 59 4.449 4.449 4.522 -0.073 19974 7805 1 10 . 1 1 59 59 THR C C 59 175.810 175.810 174.890 0.920 19974 7806 1 10 . 1 1 59 59 THR CA C 59 59.600 59.600 59.725 -0.125 19974 7807 1 10 . 1 1 59 59 THR CB C 59 70.900 70.900 71.477 -0.577 19974 7808 1 10 . 1 1 59 59 THR H H 59 7.636 7.636 7.848 -0.212 19974 7809 1 10 . 1 1 60 60 LYS N N 60 126.400 126.400 121.059 5.341 19974 7810 1 10 . 1 1 60 60 LYS HA H 60 3.923 3.923 4.244 -0.321 19974 7811 1 10 . 1 1 60 60 LYS C C 60 179.030 179.030 177.261 1.769 19974 7812 1 10 . 1 1 60 60 LYS CA C 60 59.600 59.600 58.556 1.044 19974 7813 1 10 . 1 1 60 60 LYS CB C 60 32.480 32.480 32.114 0.367 19974 7814 1 10 . 1 1 60 60 LYS H H 60 10.322 10.322 8.734 1.588 19974 7815 1 10 . 1 1 61 61 LEU N N 61 114.780 114.780 117.706 -2.926 19974 7816 1 10 . 1 1 61 61 LEU HA H 61 4.430 4.430 4.481 -0.051 19974 7817 1 10 . 1 1 61 61 LEU C C 61 175.660 175.660 176.294 -0.634 19974 7818 1 10 . 1 1 61 61 LEU CA C 61 52.830 52.830 54.676 -1.846 19974 7819 1 10 . 1 1 61 61 LEU CB C 61 40.470 40.470 42.272 -1.802 19974 7820 1 10 . 1 1 61 61 LEU H H 61 8.555 8.555 7.856 0.699 19974 7821 1 10 . 1 1 62 62 GLN N N 62 116.490 116.490 113.112 3.378 19974 7822 1 10 . 1 1 62 62 GLN HA H 62 3.715 3.715 4.078 -0.363 19974 7823 1 10 . 1 1 62 62 GLN C C 62 175.060 175.060 174.783 0.277 19974 7824 1 10 . 1 1 62 62 GLN CA C 62 56.440 56.440 56.749 -0.309 19974 7825 1 10 . 1 1 62 62 GLN CB C 62 26.480 26.480 25.793 0.687 19974 7826 1 10 . 1 1 62 62 GLN H H 62 7.526 7.526 7.888 -0.362 19974 7827 1 10 . 1 1 63 63 ASN N N 63 114.760 114.760 116.279 -1.519 19974 7828 1 10 . 1 1 63 63 ASN HA H 63 4.352 4.352 4.816 -0.464 19974 7829 1 10 . 1 1 63 63 ASN C C 63 173.790 173.790 174.454 -0.664 19974 7830 1 10 . 1 1 63 63 ASN CA C 63 50.680 50.680 51.997 -1.317 19974 7831 1 10 . 1 1 63 63 ASN CB C 63 35.110 35.110 38.870 -3.760 19974 7832 1 10 . 1 1 63 63 ASN H H 63 8.243 8.243 7.817 0.426 19974 7833 1 10 . 1 1 64 64 GLY N N 64 105.820 105.820 108.063 -2.243 19974 7834 1 10 . 1 1 64 64 GLY C C 64 172.650 172.650 172.670 -0.020 19974 7835 1 10 . 1 1 64 64 GLY CA C 64 44.136 44.136 44.457 -0.321 19974 7836 1 10 . 1 1 64 64 GLY H H 64 8.618 8.618 7.726 0.892 19974 7837 1 10 . 1 1 65 65 VAL N N 65 120.490 120.490 125.353 -4.863 19974 7838 1 10 . 1 1 65 65 VAL HA H 65 4.814 4.814 4.603 0.211 19974 7839 1 10 . 1 1 65 65 VAL C C 65 172.610 172.610 174.139 -1.529 19974 7840 1 10 . 1 1 65 65 VAL CA C 65 60.890 60.890 61.512 -0.622 19974 7841 1 10 . 1 1 65 65 VAL CB C 65 35.570 35.570 34.721 0.849 19974 7842 1 10 . 1 1 65 65 VAL H H 65 9.053 9.053 9.252 -0.199 19974 7843 1 10 . 1 1 66 66 LEU N N 66 127.740 127.740 128.616 -0.876 19974 7844 1 10 . 1 1 66 66 LEU HA H 66 5.097 5.097 5.565 -0.468 19974 7845 1 10 . 1 1 66 66 LEU C C 66 175.120 175.120 174.938 0.182 19974 7846 1 10 . 1 1 66 66 LEU CA C 66 51.870 51.870 53.108 -1.238 19974 7847 1 10 . 1 1 66 66 LEU CB C 66 47.520 47.520 46.512 1.008 19974 7848 1 10 . 1 1 66 66 LEU H H 66 9.245 9.245 9.496 -0.251 19974 7849 1 10 . 1 1 67 67 ILE N N 67 126.030 126.030 127.379 -1.349 19974 7850 1 10 . 1 1 67 67 ILE HA H 67 4.484 4.484 4.787 -0.303 19974 7851 1 10 . 1 1 67 67 ILE C C 67 173.290 173.290 174.872 -1.582 19974 7852 1 10 . 1 1 67 67 ILE CA C 67 61.090 61.090 60.331 0.759 19974 7853 1 10 . 1 1 67 67 ILE CB C 67 37.480 37.480 37.965 -0.485 19974 7854 1 10 . 1 1 67 67 ILE H H 67 8.974 8.974 9.184 -0.210 19974 7855 1 10 . 1 1 68 68 TYR N N 68 129.400 129.400 129.769 -0.369 19974 7856 1 10 . 1 1 68 68 TYR HA H 68 4.887 4.887 5.069 -0.182 19974 7857 1 10 . 1 1 68 68 TYR C C 68 174.140 174.140 174.028 0.112 19974 7858 1 10 . 1 1 68 68 TYR CA C 68 56.990 56.990 58.035 -1.045 19974 7859 1 10 . 1 1 68 68 TYR CB C 68 40.790 40.790 39.336 1.454 19974 7860 1 10 . 1 1 68 68 TYR H H 68 8.999 8.999 8.349 0.650 19974 7861 1 10 . 1 1 69 69 VAL N N 69 126.790 126.790 128.328 -1.538 19974 7862 1 10 . 1 1 69 69 VAL HA H 69 4.401 4.401 4.651 -0.250 19974 7863 1 10 . 1 1 69 69 VAL C C 69 172.350 172.350 173.658 -1.308 19974 7864 1 10 . 1 1 69 69 VAL CA C 69 60.810 60.810 60.327 0.483 19974 7865 1 10 . 1 1 69 69 VAL CB C 69 34.360 34.360 35.603 -1.243 19974 7866 1 10 . 1 1 69 69 VAL H H 69 8.378 8.378 8.636 -0.258 19974 7867 1 10 . 1 1 70 70 ALA N N 70 129.770 129.770 129.062 0.708 19974 7868 1 10 . 1 1 70 70 ALA HA H 70 4.592 4.592 5.246 -0.654 19974 7869 1 10 . 1 1 70 70 ALA C C 70 177.620 177.620 178.178 -0.558 19974 7870 1 10 . 1 1 70 70 ALA CA C 70 49.210 49.210 49.918 -0.708 19974 7871 1 10 . 1 1 70 70 ALA CB C 70 17.470 17.470 19.969 -2.499 19974 7872 1 10 . 1 1 70 70 ALA H H 70 8.078 8.078 8.719 -0.641 19974 7873 1 10 . 1 1 71 71 VAL N N 71 120.880 120.880 119.375 1.505 19974 7874 1 10 . 1 1 71 71 VAL HA H 71 2.847 2.847 3.634 -0.787 19974 7875 1 10 . 1 1 71 71 VAL C C 71 178.310 178.310 176.749 1.561 19974 7876 1 10 . 1 1 71 71 VAL CA C 71 66.030 66.030 65.155 0.875 19974 7877 1 10 . 1 1 71 71 VAL CB C 71 32.110 32.110 31.672 0.438 19974 7878 1 10 . 1 1 71 71 VAL H H 71 8.597 8.597 8.166 0.431 19974 7879 1 10 . 1 1 72 72 GLU N N 72 119.350 119.350 121.483 -2.133 19974 7880 1 10 . 1 1 72 72 GLU HA H 72 3.955 3.955 4.248 -0.293 19974 7881 1 10 . 1 1 72 72 GLU C C 72 177.650 177.650 178.161 -0.511 19974 7882 1 10 . 1 1 72 72 GLU CA C 72 59.260 59.260 58.599 0.661 19974 7883 1 10 . 1 1 72 72 GLU CB C 72 28.940 28.940 29.652 -0.712 19974 7884 1 10 . 1 1 72 72 GLU H H 72 9.107 9.107 8.022 1.085 19974 7885 1 10 . 1 1 73 73 ASP N N 73 115.250 115.250 117.363 -2.113 19974 7886 1 10 . 1 1 73 73 ASP HA H 73 4.544 4.544 4.737 -0.193 19974 7887 1 10 . 1 1 73 73 ASP C C 73 175.460 175.460 175.567 -0.107 19974 7888 1 10 . 1 1 73 73 ASP CA C 73 54.030 54.030 54.062 -0.032 19974 7889 1 10 . 1 1 73 73 ASP CB C 73 41.350 41.350 41.056 0.294 19974 7890 1 10 . 1 1 73 73 ASP H H 73 7.039 7.039 8.319 -1.280 19974 7891 1 10 . 1 1 74 74 LYS N N 74 115.850 115.850 116.977 -1.127 19974 7892 1 10 . 1 1 74 74 LYS HA H 74 3.502 3.502 4.084 -0.582 19974 7893 1 10 . 1 1 74 74 LYS C C 74 174.920 174.920 175.161 -0.241 19974 7894 1 10 . 1 1 74 74 LYS CA C 74 57.180 57.180 57.487 -0.307 19974 7895 1 10 . 1 1 74 74 LYS CB C 74 29.100 29.100 30.861 -1.761 19974 7896 1 10 . 1 1 74 74 LYS H H 74 8.012 8.012 7.683 0.329 19974 7897 1 10 . 1 1 75 75 THR N N 75 111.710 111.710 115.980 -4.270 19974 7898 1 10 . 1 1 75 75 THR HA H 75 4.725 4.725 4.488 0.237 19974 7899 1 10 . 1 1 75 75 THR C C 75 172.150 172.150 173.619 -1.469 19974 7900 1 10 . 1 1 75 75 THR CA C 75 60.740 60.740 61.599 -0.859 19974 7901 1 10 . 1 1 75 75 THR CB C 75 70.900 70.900 69.173 1.727 19974 7902 1 10 . 1 1 75 75 THR H H 75 7.763 7.763 7.549 0.214 19974 7903 1 10 . 1 1 76 76 PHE N N 76 117.220 117.220 127.067 -9.847 19974 7904 1 10 . 1 1 76 76 PHE HA H 76 5.968 5.968 5.137 0.831 19974 7905 1 10 . 1 1 76 76 PHE C C 76 173.250 173.250 173.823 -0.573 19974 7906 1 10 . 1 1 76 76 PHE CA C 76 54.920 54.920 55.906 -0.986 19974 7907 1 10 . 1 1 76 76 PHE CB C 76 42.780 42.780 39.654 3.126 19974 7908 1 10 . 1 1 76 76 PHE H H 76 7.992 7.992 8.215 -0.223 19974 7909 1 10 . 1 1 77 77 VAL N N 77 120.030 120.030 121.262 -1.232 19974 7910 1 10 . 1 1 77 77 VAL HA H 77 4.015 4.015 4.443 -0.428 19974 7911 1 10 . 1 1 77 77 VAL C C 77 173.310 173.310 174.694 -1.384 19974 7912 1 10 . 1 1 77 77 VAL CA C 77 60.840 60.840 60.699 0.141 19974 7913 1 10 . 1 1 77 77 VAL CB C 77 37.410 37.410 36.112 1.298 19974 7914 1 10 . 1 1 77 77 VAL H H 77 9.447 9.447 9.093 0.354 19974 7915 1 10 . 1 1 78 78 ILE N N 78 125.240 125.240 122.030 3.210 19974 7916 1 10 . 1 1 78 78 ILE HA H 78 4.433 4.433 5.017 -0.584 19974 7917 1 10 . 1 1 78 78 ILE C C 78 174.090 174.090 174.568 -0.478 19974 7918 1 10 . 1 1 78 78 ILE CA C 78 60.081 60.081 60.399 -0.318 19974 7919 1 10 . 1 1 78 78 ILE CB C 78 38.340 38.340 40.648 -2.308 19974 7920 1 10 . 1 1 78 78 ILE H H 78 8.155 8.155 8.273 -0.118 19974 7921 1 10 . 1 1 79 79 TYR N N 79 130.130 130.130 127.154 2.976 19974 7922 1 10 . 1 1 79 79 TYR HA H 79 4.422 4.422 5.028 -0.606 19974 7923 1 10 . 1 1 79 79 TYR C C 79 172.740 172.740 173.403 -0.663 19974 7924 1 10 . 1 1 79 79 TYR CA C 79 57.390 57.390 57.571 -0.181 19974 7925 1 10 . 1 1 79 79 TYR CB C 79 40.820 40.820 42.593 -1.773 19974 7926 1 10 . 1 1 79 79 TYR H H 79 9.328 9.328 9.379 -0.051 19974 7927 1 10 . 1 1 80 80 GLY N N 80 114.140 114.140 113.380 0.760 19974 7928 1 10 . 1 1 80 80 GLY C C 80 171.090 171.090 172.845 -1.755 19974 7929 1 10 . 1 1 80 80 GLY CA C 80 42.860 42.860 43.335 -0.475 19974 7930 1 10 . 1 1 80 80 GLY H H 80 7.837 7.837 7.885 -0.048 19974 7931 1 10 . 1 1 81 81 ASP N N 81 115.660 115.660 122.528 -6.868 19974 7932 1 10 . 1 1 81 81 ASP HA H 81 4.248 4.248 4.209 0.039 19974 7933 1 10 . 1 1 81 81 ASP C C 81 176.980 176.980 177.832 -0.852 19974 7934 1 10 . 1 1 81 81 ASP CA C 81 51.950 51.950 53.855 -1.905 19974 7935 1 10 . 1 1 81 81 ASP CB C 81 41.260 41.260 42.993 -1.733 19974 7936 1 10 . 1 1 81 81 ASP H H 81 7.633 7.633 8.707 -1.074 19974 7937 1 10 . 1 1 82 82 LYS N N 82 120.470 120.470 122.855 -2.385 19974 7938 1 10 . 1 1 82 82 LYS HA H 82 3.764 3.764 3.895 -0.131 19974 7939 1 10 . 1 1 82 82 LYS C C 82 176.350 176.350 178.622 -2.272 19974 7940 1 10 . 1 1 82 82 LYS CA C 82 59.290 59.290 59.814 -0.524 19974 7941 1 10 . 1 1 82 82 LYS CB C 82 33.720 33.720 32.366 1.354 19974 7942 1 10 . 1 1 82 82 LYS H H 82 9.212 9.212 8.754 0.458 19974 7943 1 10 . 1 1 83 83 GLY N N 83 105.260 105.260 107.160 -1.900 19974 7944 1 10 . 1 1 83 83 GLY C C 83 176.540 176.540 175.893 0.647 19974 7945 1 10 . 1 1 83 83 GLY CA C 83 46.260 46.260 47.039 -0.779 19974 7946 1 10 . 1 1 83 83 GLY H H 83 8.367 8.367 8.133 0.234 19974 7947 1 10 . 1 1 84 84 ILE N N 84 117.510 117.510 123.189 -5.679 19974 7948 1 10 . 1 1 84 84 ILE HA H 84 3.644 3.644 3.575 0.069 19974 7949 1 10 . 1 1 84 84 ILE C C 84 177.010 177.010 177.625 -0.615 19974 7950 1 10 . 1 1 84 84 ILE CA C 84 63.636 63.636 65.586 -1.950 19974 7951 1 10 . 1 1 84 84 ILE CB C 84 38.820 38.820 37.930 0.890 19974 7952 1 10 . 1 1 84 84 ILE H H 84 7.040 7.040 7.512 -0.472 19974 7953 1 10 . 1 1 85 85 ASN N N 85 117.400 117.400 116.224 1.176 19974 7954 1 10 . 1 1 85 85 ASN HA H 85 4.115 4.115 4.457 -0.342 19974 7955 1 10 . 1 1 85 85 ASN C C 85 176.600 176.600 176.652 -0.052 19974 7956 1 10 . 1 1 85 85 ASN CA C 85 55.840 55.840 55.226 0.614 19974 7957 1 10 . 1 1 85 85 ASN CB C 85 37.720 37.720 37.714 0.006 19974 7958 1 10 . 1 1 85 85 ASN H H 85 7.351 7.351 7.769 -0.418 19974 7959 1 10 . 1 1 86 86 ASP N N 86 115.890 115.890 118.973 -3.083 19974 7960 1 10 . 1 1 86 86 ASP HA H 86 4.391 4.391 4.637 -0.246 19974 7961 1 10 . 1 1 86 86 ASP C C 86 177.240 177.240 177.453 -0.213 19974 7962 1 10 . 1 1 86 86 ASP CA C 86 56.260 56.260 56.091 0.169 19974 7963 1 10 . 1 1 86 86 ASP CB C 86 41.200 41.200 41.396 -0.196 19974 7964 1 10 . 1 1 86 86 ASP H H 86 8.377 8.377 8.065 0.312 19974 7965 1 10 . 1 1 87 87 VAL N N 87 109.640 109.640 117.991 -8.351 19974 7966 1 10 . 1 1 87 87 VAL HA H 87 4.473 4.473 4.138 0.335 19974 7967 1 10 . 1 1 87 87 VAL C C 87 175.780 175.780 175.701 0.079 19974 7968 1 10 . 1 1 87 87 VAL CA C 87 61.320 61.320 63.216 -1.896 19974 7969 1 10 . 1 1 87 87 VAL CB C 87 34.170 34.170 33.357 0.813 19974 7970 1 10 . 1 1 87 87 VAL H H 87 7.196 7.196 7.884 -0.688 19974 7971 1 10 . 1 1 88 88 VAL N N 88 113.200 113.200 112.527 0.673 19974 7972 1 10 . 1 1 88 88 VAL HA H 88 3.789 3.789 4.187 -0.398 19974 7973 1 10 . 1 1 88 88 VAL C C 88 175.760 175.760 174.242 1.518 19974 7974 1 10 . 1 1 88 88 VAL CA C 88 60.640 60.640 59.131 1.509 19974 7975 1 10 . 1 1 88 88 VAL CB C 88 32.970 32.970 33.897 -0.927 19974 7976 1 10 . 1 1 88 88 VAL H H 88 6.921 6.921 7.761 -0.840 19974 7977 1 10 . 1 1 89 89 SER N N 89 114.460 114.460 114.507 -0.047 19974 7978 1 10 . 1 1 89 89 SER HA H 89 4.546 4.546 4.786 -0.240 19974 7979 1 10 . 1 1 89 89 SER C C 89 175.720 175.720 175.088 0.632 19974 7980 1 10 . 1 1 89 89 SER CA C 89 57.330 57.330 56.459 0.871 19974 7981 1 10 . 1 1 89 89 SER CB C 89 64.500 64.500 66.121 -1.621 19974 7982 1 10 . 1 1 89 89 SER H H 89 7.738 7.738 8.304 -0.566 19974 7983 1 10 . 1 1 90 90 ASP N N 90 120.250 120.250 121.383 -1.133 19974 7984 1 10 . 1 1 90 90 ASP HA H 90 4.361 4.361 4.400 -0.039 19974 7985 1 10 . 1 1 90 90 ASP C C 90 176.630 176.630 177.934 -1.304 19974 7986 1 10 . 1 1 90 90 ASP CA C 90 57.050 57.050 58.090 -1.040 19974 7987 1 10 . 1 1 90 90 ASP CB C 90 40.540 40.540 40.418 0.122 19974 7988 1 10 . 1 1 90 90 ASP H H 90 8.687 8.687 8.920 -0.233 19974 7989 1 10 . 1 1 91 91 ASP N N 91 116.800 116.800 117.851 -1.051 19974 7990 1 10 . 1 1 91 91 ASP HA H 91 4.605 4.605 4.720 -0.115 19974 7991 1 10 . 1 1 91 91 ASP C C 91 177.610 177.610 177.439 0.171 19974 7992 1 10 . 1 1 91 91 ASP CA C 91 52.890 52.890 56.047 -3.157 19974 7993 1 10 . 1 1 91 91 ASP CB C 91 40.230 40.230 40.571 -0.341 19974 7994 1 10 . 1 1 91 91 ASP H H 91 8.250 8.250 8.717 -0.467 19974 7995 1 10 . 1 1 92 92 PHE N N 92 122.130 122.130 119.475 2.655 19974 7996 1 10 . 1 1 92 92 PHE HA H 92 3.857 3.857 4.498 -0.641 19974 7997 1 10 . 1 1 92 92 PHE C C 92 177.040 177.040 176.848 0.192 19974 7998 1 10 . 1 1 92 92 PHE CA C 92 61.910 61.910 60.699 1.212 19974 7999 1 10 . 1 1 92 92 PHE CB C 92 40.696 40.696 40.007 0.689 19974 8000 1 10 . 1 1 92 92 PHE H H 92 7.564 7.564 7.730 -0.166 19974 8001 1 10 . 1 1 93 93 TRP N N 93 113.980 113.980 119.885 -5.905 19974 8002 1 10 . 1 1 93 93 TRP HA H 93 4.726 4.726 4.576 0.150 19974 8003 1 10 . 1 1 93 93 TRP C C 93 176.420 176.420 178.017 -1.597 19974 8004 1 10 . 1 1 93 93 TRP CA C 93 56.020 56.020 59.674 -3.654 19974 8005 1 10 . 1 1 93 93 TRP CB C 93 29.990 29.990 29.319 0.671 19974 8006 1 10 . 1 1 93 93 TRP H H 93 8.532 8.532 7.945 0.587 19974 8007 1 10 . 1 1 94 94 ASP N N 94 122.120 122.120 119.569 2.551 19974 8008 1 10 . 1 1 94 94 ASP HA H 94 4.228 4.228 4.461 -0.233 19974 8009 1 10 . 1 1 94 94 ASP C C 94 178.550 178.550 178.530 0.020 19974 8010 1 10 . 1 1 94 94 ASP CA C 94 59.120 59.120 58.173 0.947 19974 8011 1 10 . 1 1 94 94 ASP CB C 94 39.140 39.140 40.636 -1.496 19974 8012 1 10 . 1 1 94 94 ASP H H 94 7.904 7.904 8.706 -0.802 19974 8013 1 10 . 1 1 95 95 THR N N 95 111.200 111.200 111.454 -0.254 19974 8014 1 10 . 1 1 95 95 THR HA H 95 4.004 4.004 4.063 -0.059 19974 8015 1 10 . 1 1 95 95 THR C C 95 177.630 177.630 176.510 1.120 19974 8016 1 10 . 1 1 95 95 THR CA C 95 65.560 65.560 65.722 -0.162 19974 8017 1 10 . 1 1 95 95 THR CB C 95 68.230 68.230 68.745 -0.514 19974 8018 1 10 . 1 1 95 95 THR H H 95 8.559 8.559 7.564 0.995 19974 8019 1 10 . 1 1 96 96 THR N N 96 123.230 123.230 118.846 4.384 19974 8020 1 10 . 1 1 96 96 THR HA H 96 3.725 3.725 3.839 -0.114 19974 8021 1 10 . 1 1 96 96 THR C C 96 175.410 175.410 176.521 -1.111 19974 8022 1 10 . 1 1 96 96 THR CA C 96 68.286 68.286 66.875 1.411 19974 8023 1 10 . 1 1 96 96 THR CB C 96 68.200 68.200 68.475 -0.275 19974 8024 1 10 . 1 1 96 96 THR H H 96 7.991 7.991 7.780 0.211 19974 8025 1 10 . 1 1 97 97 ARG N N 97 119.960 119.960 120.933 -0.973 19974 8026 1 10 . 1 1 97 97 ARG HA H 97 3.829 3.829 4.023 -0.194 19974 8027 1 10 . 1 1 97 97 ARG C C 97 178.320 178.320 178.773 -0.453 19974 8028 1 10 . 1 1 97 97 ARG CA C 97 60.390 60.390 59.987 0.403 19974 8029 1 10 . 1 1 97 97 ARG CB C 97 29.870 29.870 30.252 -0.382 19974 8030 1 10 . 1 1 97 97 ARG H H 97 8.825 8.825 8.016 0.809 19974 8031 1 10 . 1 1 98 98 ASN N N 98 115.680 115.680 117.534 -1.854 19974 8032 1 10 . 1 1 98 98 ASN HA H 98 4.390 4.390 4.540 -0.150 19974 8033 1 10 . 1 1 98 98 ASN C C 98 176.620 176.620 177.493 -0.873 19974 8034 1 10 . 1 1 98 98 ASN CA C 98 56.050 56.050 55.744 0.306 19974 8035 1 10 . 1 1 98 98 ASN CB C 98 38.220 38.220 38.092 0.128 19974 8036 1 10 . 1 1 98 98 ASN H H 98 8.508 8.508 8.129 0.379 19974 8037 1 10 . 1 1 99 99 ALA N N 99 120.830 120.830 123.848 -3.018 19974 8038 1 10 . 1 1 99 99 ALA HA H 99 4.020 4.020 4.069 -0.049 19974 8039 1 10 . 1 1 99 99 ALA C C 99 179.800 179.800 179.175 0.625 19974 8040 1 10 . 1 1 99 99 ALA CA C 99 54.770 54.770 54.967 -0.197 19974 8041 1 10 . 1 1 99 99 ALA CB C 99 18.110 18.110 18.692 -0.582 19974 8042 1 10 . 1 1 99 99 ALA H H 99 7.447 7.447 7.838 -0.391 19974 8043 1 10 . 1 1 100 100 ILE N N 100 116.240 116.240 119.083 -2.843 19974 8044 1 10 . 1 1 100 100 ILE HA H 100 3.203 3.203 3.447 -0.244 19974 8045 1 10 . 1 1 100 100 ILE C C 100 178.050 178.050 177.581 0.469 19974 8046 1 10 . 1 1 100 100 ILE CA C 100 64.550 64.550 65.298 -0.748 19974 8047 1 10 . 1 1 100 100 ILE CB C 100 37.640 37.640 37.414 0.226 19974 8048 1 10 . 1 1 100 100 ILE H H 100 7.339 7.339 7.642 -0.303 19974 8049 1 10 . 1 1 101 101 GLN N N 101 118.750 118.750 119.374 -0.624 19974 8050 1 10 . 1 1 101 101 GLN HA H 101 3.917 3.917 3.681 0.236 19974 8051 1 10 . 1 1 101 101 GLN C C 101 177.870 177.870 178.247 -0.377 19974 8052 1 10 . 1 1 101 101 GLN CA C 101 59.200 59.200 59.198 0.002 19974 8053 1 10 . 1 1 101 101 GLN CB C 101 28.860 28.860 28.845 0.015 19974 8054 1 10 . 1 1 101 101 GLN H H 101 8.359 8.359 8.112 0.247 19974 8055 1 10 . 1 1 102 102 LEU N N 102 117.790 117.790 120.091 -2.301 19974 8056 1 10 . 1 1 102 102 LEU HA H 102 3.951 3.951 4.027 -0.076 19974 8057 1 10 . 1 1 102 102 LEU C C 102 179.550 179.550 179.176 0.374 19974 8058 1 10 . 1 1 102 102 LEU CA C 102 58.190 58.190 58.035 0.155 19974 8059 1 10 . 1 1 102 102 LEU CB C 102 42.320 42.320 41.843 0.477 19974 8060 1 10 . 1 1 102 102 LEU H H 102 8.119 8.119 7.614 0.505 19974 8061 1 10 . 1 1 103 103 GLN N N 103 113.650 113.650 118.120 -4.470 19974 8062 1 10 . 1 1 103 103 GLN HA H 103 4.426 4.426 4.164 0.262 19974 8063 1 10 . 1 1 103 103 GLN C C 103 179.680 179.680 178.616 1.064 19974 8064 1 10 . 1 1 103 103 GLN CA C 103 56.550 56.550 58.425 -1.875 19974 8065 1 10 . 1 1 103 103 GLN CB C 103 27.480 27.480 28.594 -1.114 19974 8066 1 10 . 1 1 103 103 GLN H H 103 6.636 6.636 7.659 -1.023 19974 8067 1 10 . 1 1 104 104 PHE N N 104 123.740 123.740 121.268 2.472 19974 8068 1 10 . 1 1 104 104 PHE HA H 104 3.895 3.895 4.309 -0.414 19974 8069 1 10 . 1 1 104 104 PHE C C 104 180.130 180.130 177.768 2.362 19974 8070 1 10 . 1 1 104 104 PHE CA C 104 59.760 59.760 61.616 -1.856 19974 8071 1 10 . 1 1 104 104 PHE CB C 104 36.620 36.620 39.076 -2.456 19974 8072 1 10 . 1 1 104 104 PHE H H 104 9.161 9.161 8.650 0.511 19974 8073 1 10 . 1 1 105 105 LYS N N 105 119.280 119.280 118.864 0.416 19974 8074 1 10 . 1 1 105 105 LYS HA H 105 4.126 4.126 4.062 0.064 19974 8075 1 10 . 1 1 105 105 LYS C C 105 177.290 177.290 178.647 -1.357 19974 8076 1 10 . 1 1 105 105 LYS CA C 105 58.913 58.913 59.205 -0.292 19974 8077 1 10 . 1 1 105 105 LYS CB C 105 31.920 31.920 32.242 -0.322 19974 8078 1 10 . 1 1 105 105 LYS H H 105 8.519 8.519 8.437 0.082 19974 8079 1 10 . 1 1 106 106 GLN N N 106 114.530 114.530 115.540 -1.010 19974 8080 1 10 . 1 1 106 106 GLN HA H 106 4.415 4.415 4.223 0.192 19974 8081 1 10 . 1 1 106 106 GLN C C 106 175.450 175.450 177.097 -1.647 19974 8082 1 10 . 1 1 106 106 GLN CA C 106 54.850 54.850 57.106 -2.256 19974 8083 1 10 . 1 1 106 106 GLN CB C 106 30.010 30.010 29.848 0.162 19974 8084 1 10 . 1 1 106 106 GLN H H 106 6.934 6.934 7.567 -0.633 19974 8085 1 10 . 1 1 107 107 GLY N N 107 106.800 106.800 105.282 1.518 19974 8086 1 10 . 1 1 107 107 GLY C C 107 173.140 173.140 173.936 -0.796 19974 8087 1 10 . 1 1 107 107 GLY CA C 107 44.930 44.930 44.383 0.547 19974 8088 1 10 . 1 1 107 107 GLY H H 107 7.722 7.722 8.219 -0.497 19974 8089 1 10 . 1 1 108 108 ASN N N 108 120.230 120.230 121.128 -0.898 19974 8090 1 10 . 1 1 108 108 ASN HA H 108 4.827 4.827 4.926 -0.099 19974 8091 1 10 . 1 1 108 108 ASN C C 108 174.820 174.820 175.200 -0.380 19974 8092 1 10 . 1 1 108 108 ASN CA C 108 50.520 50.520 50.184 0.336 19974 8093 1 10 . 1 1 108 108 ASN CB C 108 37.090 37.090 37.147 -0.057 19974 8094 1 10 . 1 1 108 108 ASN H H 108 7.654 7.654 7.979 -0.325 19974 8095 1 10 . 1 1 109 109 PHE N N 109 122.130 122.130 122.455 -0.325 19974 8096 1 10 . 1 1 109 109 PHE HA H 109 4.038 4.038 3.527 0.511 19974 8097 1 10 . 1 1 109 109 PHE C C 109 177.270 177.270 177.536 -0.266 19974 8098 1 10 . 1 1 109 109 PHE CA C 109 60.670 60.670 60.642 0.028 19974 8099 1 10 . 1 1 109 109 PHE CB C 109 38.220 38.220 38.010 0.210 19974 8100 1 10 . 1 1 109 109 PHE H H 109 7.231 7.231 7.039 0.192 19974 8101 1 10 . 1 1 110 110 LYS N N 110 118.670 118.670 119.679 -1.009 19974 8102 1 10 . 1 1 110 110 LYS HA H 110 3.610 3.610 3.882 -0.272 19974 8103 1 10 . 1 1 110 110 LYS C C 110 177.680 177.680 178.765 -1.085 19974 8104 1 10 . 1 1 110 110 LYS CA C 110 60.050 60.050 60.300 -0.250 19974 8105 1 10 . 1 1 110 110 LYS CB C 110 29.680 29.680 31.830 -2.150 19974 8106 1 10 . 1 1 110 110 LYS H H 110 8.727 8.727 8.491 0.236 19974 8107 1 10 . 1 1 111 111 GLN N N 111 117.980 117.980 117.421 0.559 19974 8108 1 10 . 1 1 111 111 GLN HA H 111 3.491 3.491 4.061 -0.570 19974 8109 1 10 . 1 1 111 111 GLN C C 111 177.640 177.640 178.554 -0.914 19974 8110 1 10 . 1 1 111 111 GLN CA C 111 57.530 57.530 58.717 -1.187 19974 8111 1 10 . 1 1 111 111 GLN CB C 111 28.460 28.460 28.442 0.018 19974 8112 1 10 . 1 1 111 111 GLN H H 111 8.442 8.442 8.012 0.430 19974 8113 1 10 . 1 1 112 112 GLY N N 112 103.740 103.740 107.945 -4.205 19974 8114 1 10 . 1 1 112 112 GLY C C 112 173.970 173.970 176.252 -2.282 19974 8115 1 10 . 1 1 112 112 GLY CA C 112 48.730 48.730 46.876 1.854 19974 8116 1 10 . 1 1 112 112 GLY H H 112 8.196 8.196 8.021 0.175 19974 8117 1 10 . 1 1 113 113 LEU N N 113 119.640 119.640 123.005 -3.365 19974 8118 1 10 . 1 1 113 113 LEU HA H 113 3.868 3.868 4.003 -0.135 19974 8119 1 10 . 1 1 113 113 LEU C C 113 177.480 177.480 178.877 -1.397 19974 8120 1 10 . 1 1 113 113 LEU CA C 113 58.150 58.150 57.755 0.395 19974 8121 1 10 . 1 1 113 113 LEU CB C 113 41.920 41.920 42.005 -0.085 19974 8122 1 10 . 1 1 113 113 LEU H H 113 7.614 7.614 8.124 -0.510 19974 8123 1 10 . 1 1 114 114 VAL N N 114 118.510 118.510 120.253 -1.743 19974 8124 1 10 . 1 1 114 114 VAL HA H 114 3.269 3.269 3.481 -0.212 19974 8125 1 10 . 1 1 114 114 VAL C C 114 177.330 177.330 177.879 -0.549 19974 8126 1 10 . 1 1 114 114 VAL CA C 114 67.787 67.787 67.208 0.579 19974 8127 1 10 . 1 1 114 114 VAL CB C 114 31.600 31.600 31.618 -0.018 19974 8128 1 10 . 1 1 114 114 VAL H H 114 8.284 8.284 8.460 -0.176 19974 8129 1 10 . 1 1 115 115 ASP N N 115 119.440 119.440 119.006 0.434 19974 8130 1 10 . 1 1 115 115 ASP HA H 115 4.261 4.261 4.363 -0.102 19974 8131 1 10 . 1 1 115 115 ASP C C 115 179.840 179.840 178.528 1.312 19974 8132 1 10 . 1 1 115 115 ASP CA C 115 56.950 56.950 57.264 -0.314 19974 8133 1 10 . 1 1 115 115 ASP CB C 115 39.840 39.840 40.422 -0.582 19974 8134 1 10 . 1 1 115 115 ASP H H 115 8.724 8.724 8.508 0.216 19974 8135 1 10 . 1 1 116 116 GLY N N 116 107.280 107.280 108.121 -0.841 19974 8136 1 10 . 1 1 116 116 GLY C C 116 174.130 174.130 176.565 -2.435 19974 8137 1 10 . 1 1 116 116 GLY CA C 116 47.190 47.190 47.195 -0.005 19974 8138 1 10 . 1 1 116 116 GLY H H 116 8.370 8.370 8.052 0.318 19974 8139 1 10 . 1 1 117 117 ILE N N 117 123.350 123.350 122.223 1.127 19974 8140 1 10 . 1 1 117 117 ILE HA H 117 3.307 3.307 3.691 -0.384 19974 8141 1 10 . 1 1 117 117 ILE C C 117 176.750 176.750 178.049 -1.299 19974 8142 1 10 . 1 1 117 117 ILE CA C 117 66.168 66.168 63.029 3.139 19974 8143 1 10 . 1 1 117 117 ILE CB C 117 37.760 37.760 36.777 0.983 19974 8144 1 10 . 1 1 117 117 ILE H H 117 8.573 8.573 7.891 0.682 19974 8145 1 10 . 1 1 118 118 GLU N N 118 119.220 119.220 120.823 -1.603 19974 8146 1 10 . 1 1 118 118 GLU HA H 118 4.003 4.003 3.863 0.140 19974 8147 1 10 . 1 1 118 118 GLU C C 118 180.600 180.600 179.266 1.334 19974 8148 1 10 . 1 1 118 118 GLU CA C 118 59.472 59.472 60.021 -0.549 19974 8149 1 10 . 1 1 118 118 GLU CB C 118 29.310 29.310 29.330 -0.020 19974 8150 1 10 . 1 1 118 118 GLU H H 118 7.998 7.998 7.815 0.183 19974 8151 1 10 . 1 1 119 119 LYS N N 119 118.270 118.270 118.784 -0.514 19974 8152 1 10 . 1 1 119 119 LYS HA H 119 3.897 3.897 4.037 -0.140 19974 8153 1 10 . 1 1 119 119 LYS C C 119 179.040 179.040 178.957 0.083 19974 8154 1 10 . 1 1 119 119 LYS CA C 119 58.090 58.090 58.355 -0.265 19974 8155 1 10 . 1 1 119 119 LYS CB C 119 31.340 31.340 31.673 -0.333 19974 8156 1 10 . 1 1 119 119 LYS H H 119 7.846 7.846 8.200 -0.354 19974 8157 1 10 . 1 1 120 120 ALA N N 120 125.280 125.280 122.518 2.762 19974 8158 1 10 . 1 1 120 120 ALA HA H 120 4.195 4.195 3.931 0.264 19974 8159 1 10 . 1 1 120 120 ALA C C 120 180.230 180.230 179.714 0.516 19974 8160 1 10 . 1 1 120 120 ALA CA C 120 55.040 55.040 55.126 -0.086 19974 8161 1 10 . 1 1 120 120 ALA CB C 120 17.380 17.380 18.362 -0.982 19974 8162 1 10 . 1 1 120 120 ALA H H 120 9.092 9.092 8.311 0.781 19974 8163 1 10 . 1 1 121 121 GLY N N 121 104.130 104.130 106.377 -2.247 19974 8164 1 10 . 1 1 121 121 GLY C C 121 174.930 174.930 176.401 -1.471 19974 8165 1 10 . 1 1 121 121 GLY CA C 121 47.590 47.590 46.937 0.653 19974 8166 1 10 . 1 1 121 121 GLY H H 121 8.606 8.606 8.493 0.113 19974 8167 1 10 . 1 1 122 122 MET N N 122 117.000 117.000 120.696 -3.696 19974 8168 1 10 . 1 1 122 122 MET HA H 122 4.183 4.183 4.117 0.066 19974 8169 1 10 . 1 1 122 122 MET C C 122 178.500 178.500 178.135 0.365 19974 8170 1 10 . 1 1 122 122 MET CA C 122 57.470 57.470 59.035 -1.565 19974 8171 1 10 . 1 1 122 122 MET CB C 122 32.200 32.200 32.733 -0.533 19974 8172 1 10 . 1 1 122 122 MET H H 122 7.284 7.284 8.371 -1.087 19974 8173 1 10 . 1 1 123 123 ALA N N 123 124.060 124.060 121.103 2.957 19974 8174 1 10 . 1 1 123 123 ALA HA H 123 4.076 4.076 4.356 -0.280 19974 8175 1 10 . 1 1 123 123 ALA C C 123 180.880 180.880 180.374 0.506 19974 8176 1 10 . 1 1 123 123 ALA CA C 123 54.760 54.760 54.567 0.193 19974 8177 1 10 . 1 1 123 123 ALA CB C 123 17.590 17.590 18.656 -1.066 19974 8178 1 10 . 1 1 123 123 ALA H H 123 8.308 8.308 7.829 0.479 19974 8179 1 10 . 1 1 124 124 LEU N N 124 117.060 117.060 120.580 -3.520 19974 8180 1 10 . 1 1 124 124 LEU HA H 124 4.270 4.270 4.270 0.000 19974 8181 1 10 . 1 1 124 124 LEU C C 124 179.170 179.170 178.941 0.229 19974 8182 1 10 . 1 1 124 124 LEU CA C 124 57.840 57.840 57.905 -0.065 19974 8183 1 10 . 1 1 124 124 LEU CB C 124 42.920 42.920 41.876 1.044 19974 8184 1 10 . 1 1 124 124 LEU H H 124 8.871 8.871 8.830 0.041 19974 8185 1 10 . 1 1 125 125 ALA N N 125 120.950 120.950 120.669 0.281 19974 8186 1 10 . 1 1 125 125 ALA HA H 125 3.956 3.956 4.482 -0.526 19974 8187 1 10 . 1 1 125 125 ALA C C 125 177.740 177.740 179.072 -1.332 19974 8188 1 10 . 1 1 125 125 ALA CA C 125 55.220 55.220 54.599 0.621 19974 8189 1 10 . 1 1 125 125 ALA CB C 125 19.180 19.180 18.431 0.749 19974 8190 1 10 . 1 1 125 125 ALA H H 125 7.829 7.829 8.640 -0.811 19974 8191 1 10 . 1 1 126 126 LYS N N 126 113.320 113.320 118.436 -5.116 19974 8192 1 10 . 1 1 126 126 LYS HA H 126 3.798 3.798 4.092 -0.294 19974 8193 1 10 . 1 1 126 126 LYS C C 126 176.550 176.550 178.001 -1.451 19974 8194 1 10 . 1 1 126 126 LYS CA C 126 58.490 58.490 58.861 -0.371 19974 8195 1 10 . 1 1 126 126 LYS CB C 126 32.620 32.620 32.608 0.012 19974 8196 1 10 . 1 1 126 126 LYS H H 126 6.971 6.971 7.793 -0.822 19974 8197 1 10 . 1 1 127 127 TYR N N 127 113.850 113.850 117.108 -3.258 19974 8198 1 10 . 1 1 127 127 TYR HA H 127 4.067 4.067 4.255 -0.188 19974 8199 1 10 . 1 1 127 127 TYR C C 127 174.390 174.390 176.553 -2.163 19974 8200 1 10 . 1 1 127 127 TYR CA C 127 58.770 58.770 60.680 -1.910 19974 8201 1 10 . 1 1 127 127 TYR CB C 127 41.930 41.930 39.397 2.533 19974 8202 1 10 . 1 1 127 127 TYR H H 127 6.817 6.817 7.687 -0.870 19974 8203 1 10 . 1 1 128 128 PHE N N 128 116.130 116.130 117.210 -1.080 19974 8204 1 10 . 1 1 128 128 PHE HA H 128 4.907 4.907 5.033 -0.126 19974 8205 1 10 . 1 1 128 128 PHE C C 128 172.450 172.450 173.824 -1.374 19974 8206 1 10 . 1 1 128 128 PHE CA C 128 55.003 55.003 55.055 -0.052 19974 8207 1 10 . 1 1 128 128 PHE CB C 128 38.550 38.550 39.895 -1.345 19974 8208 1 10 . 1 1 128 128 PHE H H 128 8.688 8.688 8.672 0.016 19974 8209 1 10 . 1 1 129 129 PRO HA H 129 4.680 4.680 4.677 0.003 19974 8210 1 10 . 1 1 129 129 PRO C C 129 175.720 175.720 176.587 -0.867 19974 8211 1 10 . 1 1 129 129 PRO CA C 129 63.382 63.382 62.551 0.831 19974 8212 1 10 . 1 1 129 129 PRO CB C 129 31.810 31.810 32.286 -0.476 19974 8213 1 10 . 1 1 130 130 TRP N N 130 123.170 123.170 127.710 -4.540 19974 8214 1 10 . 1 1 130 130 TRP HA H 130 4.031 4.031 4.546 -0.515 19974 8215 1 10 . 1 1 130 130 TRP C C 130 175.310 175.310 175.898 -0.588 19974 8216 1 10 . 1 1 130 130 TRP CA C 130 59.510 59.510 58.082 1.428 19974 8217 1 10 . 1 1 130 130 TRP CB C 130 29.300 29.300 30.351 -1.051 19974 8218 1 10 . 1 1 130 130 TRP H H 130 7.910 7.910 8.769 -0.859 19974 8219 1 10 . 1 1 131 131 LYS N N 131 127.060 127.060 129.085 -2.025 19974 8220 1 10 . 1 1 131 131 LYS HA H 131 4.260 4.260 4.385 -0.125 19974 8221 1 10 . 1 1 131 131 LYS C C 131 174.450 174.450 175.858 -1.408 19974 8222 1 10 . 1 1 131 131 LYS CA C 131 53.240 53.240 54.430 -1.190 19974 8223 1 10 . 1 1 131 131 LYS CB C 131 35.250 35.250 34.495 0.755 19974 8224 1 10 . 1 1 131 131 LYS H H 131 8.097 8.097 7.833 0.264 19974 8225 1 10 . 1 1 132 132 LYS N N 132 116.250 116.250 121.905 -5.655 19974 8226 1 10 . 1 1 132 132 LYS HA H 132 3.398 3.398 3.547 -0.149 19974 8227 1 10 . 1 1 132 132 LYS C C 132 176.550 176.550 175.972 0.578 19974 8228 1 10 . 1 1 132 132 LYS CA C 132 58.140 58.140 58.109 0.031 19974 8229 1 10 . 1 1 132 132 LYS CB C 132 31.880 31.880 32.496 -0.616 19974 8230 1 10 . 1 1 132 132 LYS H H 132 7.761 7.761 8.318 -0.557 19974 8231 1 10 . 1 1 133 133 ASP N N 133 116.600 116.600 118.554 -1.954 19974 8232 1 10 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.596 -0.245 19974 8233 1 10 . 1 1 133 133 ASP C C 133 175.320 175.320 175.331 -0.011 19974 8234 1 10 . 1 1 133 133 ASP CA C 133 52.520 52.520 53.558 -1.038 19974 8235 1 10 . 1 1 133 133 ASP CB C 133 38.720 38.720 40.486 -1.766 19974 8236 1 10 . 1 1 133 133 ASP H H 133 7.633 7.633 7.949 -0.316 19974 8237 1 10 . 1 1 134 134 ASP N N 134 119.140 119.140 121.514 -2.374 19974 8238 1 10 . 1 1 134 134 ASP HA H 134 3.989 3.989 4.435 -0.446 19974 8239 1 10 . 1 1 134 134 ASP C C 134 175.500 175.500 175.934 -0.434 19974 8240 1 10 . 1 1 134 134 ASP CA C 134 56.410 56.410 54.662 1.748 19974 8241 1 10 . 1 1 134 134 ASP CB C 134 42.740 42.740 41.791 0.949 19974 8242 1 10 . 1 1 134 134 ASP H H 134 7.251 7.251 7.327 -0.076 19974 8243 1 10 . 1 1 135 135 ILE N N 135 123.230 123.230 119.718 3.512 19974 8244 1 10 . 1 1 135 135 ILE HA H 135 4.301 4.301 4.406 -0.105 19974 8245 1 10 . 1 1 135 135 ILE C C 135 176.300 176.300 174.653 1.647 19974 8246 1 10 . 1 1 135 135 ILE CA C 135 58.640 58.640 59.881 -1.241 19974 8247 1 10 . 1 1 135 135 ILE CB C 135 40.800 40.800 39.533 1.267 19974 8248 1 10 . 1 1 135 135 ILE H H 135 8.351 8.351 8.218 0.133 19974 8249 1 10 . 1 1 136 136 ASP N N 136 131.670 131.670 128.074 3.596 19974 8250 1 10 . 1 1 136 136 ASP HA H 136 5.640 5.640 4.751 0.889 19974 8251 1 10 . 1 1 136 136 ASP C C 136 176.150 176.150 176.285 -0.135 19974 8252 1 10 . 1 1 136 136 ASP CA C 136 52.560 52.560 53.947 -1.387 19974 8253 1 10 . 1 1 136 136 ASP CB C 136 38.180 38.180 41.052 -2.872 19974 8254 1 10 . 1 1 136 136 ASP H H 136 9.036 9.036 8.695 0.341 19974 8255 1 10 . 1 1 137 137 GLU N N 137 125.270 125.270 123.640 1.630 19974 8256 1 10 . 1 1 137 137 GLU HA H 137 3.735 3.735 4.354 -0.619 19974 8257 1 10 . 1 1 137 137 GLU C C 137 176.110 176.110 176.376 -0.266 19974 8258 1 10 . 1 1 137 137 GLU CA C 137 59.490 59.490 56.488 3.002 19974 8259 1 10 . 1 1 137 137 GLU CB C 137 32.880 32.880 30.693 2.187 19974 8260 1 10 . 1 1 137 137 GLU H H 137 8.435 8.435 8.583 -0.148 19974 8261 1 10 . 1 1 138 138 LEU N N 138 117.210 117.210 121.971 -4.761 19974 8262 1 10 . 1 1 138 138 LEU HA H 138 4.960 4.960 4.609 0.351 19974 8263 1 10 . 1 1 138 138 LEU C C 138 173.560 173.560 174.606 -1.046 19974 8264 1 10 . 1 1 138 138 LEU CA C 138 50.310 50.310 52.080 -1.770 19974 8265 1 10 . 1 1 138 138 LEU CB C 138 41.350 41.350 43.114 -1.764 19974 8266 1 10 . 1 1 138 138 LEU H H 138 8.308 8.308 7.590 0.718 19974 8267 1 10 . 1 1 139 139 PRO HA H 139 4.335 4.335 4.613 -0.278 19974 8268 1 10 . 1 1 139 139 PRO C C 139 177.700 177.700 176.296 1.404 19974 8269 1 10 . 1 1 139 139 PRO CA C 139 62.550 62.550 62.360 0.190 19974 8270 1 10 . 1 1 139 139 PRO CB C 139 32.520 32.520 32.723 -0.203 19974 8271 1 10 . 1 1 140 140 ASN N N 140 120.930 120.930 119.799 1.131 19974 8272 1 10 . 1 1 140 140 ASN HA H 140 4.730 4.730 4.768 -0.038 19974 8273 1 10 . 1 1 140 140 ASN C C 140 174.460 174.460 174.819 -0.359 19974 8274 1 10 . 1 1 140 140 ASN CA C 140 52.790 52.790 53.222 -0.432 19974 8275 1 10 . 1 1 140 140 ASN CB C 140 38.520 38.520 37.988 0.532 19974 8276 1 10 . 1 1 140 140 ASN H H 140 9.213 9.213 8.683 0.530 19974 8277 1 10 . 1 1 141 141 THR N N 141 107.730 107.730 115.106 -7.376 19974 8278 1 10 . 1 1 141 141 THR HA H 141 3.853 3.853 4.326 -0.473 19974 8279 1 10 . 1 1 141 141 THR C C 141 176.410 176.410 173.682 2.728 19974 8280 1 10 . 1 1 141 141 THR CA C 141 61.560 61.560 61.362 0.198 19974 8281 1 10 . 1 1 141 141 THR CB C 141 69.450 69.450 70.101 -0.651 19974 8282 1 10 . 1 1 141 141 THR H H 141 7.003 7.003 7.112 -0.109 19974 8283 1 10 . 1 1 142 142 ILE N N 142 129.530 129.530 126.130 3.400 19974 8284 1 10 . 1 1 142 142 ILE HA H 142 3.976 3.976 4.006 -0.030 19974 8285 1 10 . 1 1 142 142 ILE C C 142 176.020 176.020 176.123 -0.103 19974 8286 1 10 . 1 1 142 142 ILE CA C 142 62.150 62.150 61.748 0.402 19974 8287 1 10 . 1 1 142 142 ILE CB C 142 37.890 37.890 38.533 -0.643 19974 8288 1 10 . 1 1 142 142 ILE H H 142 9.030 9.030 8.420 0.610 19974 8289 1 10 . 1 1 143 143 SER N N 143 124.630 124.630 124.054 0.576 19974 8290 1 10 . 1 1 143 143 SER HA H 143 4.481 4.481 4.686 -0.205 19974 8291 1 10 . 1 1 143 143 SER C C 143 172.920 172.920 173.386 -0.466 19974 8292 1 10 . 1 1 143 143 SER CA C 143 57.120 57.120 58.300 -1.180 19974 8293 1 10 . 1 1 143 143 SER CB C 143 60.710 60.710 64.508 -3.798 19974 8294 1 10 . 1 1 143 143 SER H H 143 8.709 8.709 8.576 0.133 19974 8295 1 10 . 1 1 144 144 LYS N N 144 126.170 126.170 124.053 2.117 19974 8296 1 10 . 1 1 144 144 LYS HA H 144 4.954 4.954 4.958 -0.004 19974 8297 1 10 . 1 1 144 144 LYS C C 144 175.910 175.910 175.589 0.321 19974 8298 1 10 . 1 1 144 144 LYS CA C 144 54.580 54.580 55.009 -0.429 19974 8299 1 10 . 1 1 144 144 LYS CB C 144 35.170 35.170 36.132 -0.962 19974 8300 1 10 . 1 1 144 144 LYS H H 144 8.043 8.043 8.478 -0.435 19974 8301 1 11 . 1 1 3 3 LYS HA H 3 4.317 4.317 4.498 -0.181 19974 8302 1 11 . 1 1 3 3 LYS C C 3 176.840 176.840 176.406 0.434 19974 8303 1 11 . 1 1 3 3 LYS CA C 3 56.180 56.180 54.683 1.497 19974 8304 1 11 . 1 1 3 3 LYS CB C 3 33.030 33.030 32.600 0.430 19974 8305 1 11 . 1 1 4 4 ILE N N 4 122.990 122.990 126.520 -3.530 19974 8306 1 11 . 1 1 4 4 ILE HA H 4 3.919 3.919 3.734 0.185 19974 8307 1 11 . 1 1 4 4 ILE C C 4 176.120 176.120 176.421 -0.301 19974 8308 1 11 . 1 1 4 4 ILE CA C 4 61.530 61.530 63.851 -2.321 19974 8309 1 11 . 1 1 4 4 ILE CB C 4 38.040 38.040 38.450 -0.410 19974 8310 1 11 . 1 1 4 4 ILE H H 4 8.391 8.391 8.992 -0.601 19974 8311 1 11 . 1 1 5 5 GLU N N 5 123.430 123.430 117.859 5.571 19974 8312 1 11 . 1 1 5 5 GLU HA H 5 4.116 4.116 3.935 0.181 19974 8313 1 11 . 1 1 5 5 GLU C C 5 175.830 175.830 176.521 -0.691 19974 8314 1 11 . 1 1 5 5 GLU CA C 5 56.900 56.900 57.400 -0.500 19974 8315 1 11 . 1 1 5 5 GLU CB C 5 29.350 29.350 29.662 -0.312 19974 8316 1 11 . 1 1 5 5 GLU H H 5 8.508 8.508 8.129 0.379 19974 8317 1 11 . 1 1 6 6 GLU N N 6 119.490 119.490 119.343 0.147 19974 8318 1 11 . 1 1 6 6 GLU HA H 6 4.128 4.128 4.276 -0.148 19974 8319 1 11 . 1 1 6 6 GLU C C 6 176.270 176.270 175.648 0.622 19974 8320 1 11 . 1 1 6 6 GLU CA C 6 55.700 55.700 54.369 1.331 19974 8321 1 11 . 1 1 6 6 GLU CB C 6 30.190 30.190 29.463 0.727 19974 8322 1 11 . 1 1 6 6 GLU H H 6 7.843 7.843 7.651 0.192 19974 8323 1 11 . 1 1 7 7 PHE N N 7 121.090 121.090 120.434 0.656 19974 8324 1 11 . 1 1 7 7 PHE HA H 7 4.284 4.284 4.271 0.013 19974 8325 1 11 . 1 1 7 7 PHE C C 7 174.810 174.810 176.420 -1.610 19974 8326 1 11 . 1 1 7 7 PHE CA C 7 59.660 59.660 60.827 -1.167 19974 8327 1 11 . 1 1 7 7 PHE CB C 7 39.990 39.990 39.128 0.862 19974 8328 1 11 . 1 1 7 7 PHE H H 7 8.092 8.092 8.063 0.029 19974 8329 1 11 . 1 1 8 8 LEU N N 8 116.700 116.700 116.641 0.059 19974 8330 1 11 . 1 1 8 8 LEU HA H 8 4.792 4.792 4.667 0.125 19974 8331 1 11 . 1 1 8 8 LEU C C 8 176.940 176.940 175.915 1.025 19974 8332 1 11 . 1 1 8 8 LEU CA C 8 52.730 52.730 53.494 -0.764 19974 8333 1 11 . 1 1 8 8 LEU CB C 8 45.650 45.650 44.718 0.932 19974 8334 1 11 . 1 1 8 8 LEU H H 8 7.721 7.721 7.935 -0.214 19974 8335 1 11 . 1 1 9 9 THR N N 9 113.700 113.700 116.045 -2.345 19974 8336 1 11 . 1 1 9 9 THR HA H 9 4.397 4.397 4.456 -0.059 19974 8337 1 11 . 1 1 9 9 THR C C 9 175.410 175.410 175.964 -0.554 19974 8338 1 11 . 1 1 9 9 THR CA C 9 60.650 60.650 62.066 -1.416 19974 8339 1 11 . 1 1 9 9 THR CB C 9 70.800 70.800 70.115 0.685 19974 8340 1 11 . 1 1 9 9 THR H H 9 9.224 9.224 8.189 1.035 19974 8341 1 11 . 1 1 10 10 ALA N N 10 123.350 123.350 126.551 -3.201 19974 8342 1 11 . 1 1 10 10 ALA HA H 10 4.036 4.036 3.959 0.077 19974 8343 1 11 . 1 1 10 10 ALA C C 10 181.050 181.050 179.753 1.297 19974 8344 1 11 . 1 1 10 10 ALA CA C 10 55.500 55.500 55.574 -0.074 19974 8345 1 11 . 1 1 10 10 ALA CB C 10 17.914 17.914 18.378 -0.464 19974 8346 1 11 . 1 1 10 10 ALA H H 10 8.881 8.881 9.169 -0.288 19974 8347 1 11 . 1 1 11 11 GLU N N 11 117.680 117.680 117.676 0.004 19974 8348 1 11 . 1 1 11 11 GLU HA H 11 3.949 3.949 4.073 -0.124 19974 8349 1 11 . 1 1 11 11 GLU C C 11 179.500 179.500 179.202 0.298 19974 8350 1 11 . 1 1 11 11 GLU CA C 11 59.490 59.490 59.584 -0.094 19974 8351 1 11 . 1 1 11 11 GLU CB C 11 29.120 29.120 29.387 -0.267 19974 8352 1 11 . 1 1 11 11 GLU H H 11 8.460 8.460 8.915 -0.455 19974 8353 1 11 . 1 1 12 12 GLU N N 12 121.860 121.860 118.856 3.004 19974 8354 1 11 . 1 1 12 12 GLU HA H 12 3.818 3.818 4.202 -0.384 19974 8355 1 11 . 1 1 12 12 GLU C C 12 178.130 178.130 179.067 -0.937 19974 8356 1 11 . 1 1 12 12 GLU CA C 12 59.210 59.210 58.836 0.374 19974 8357 1 11 . 1 1 12 12 GLU CB C 12 30.800 30.800 29.466 1.334 19974 8358 1 11 . 1 1 12 12 GLU H H 12 7.698 7.698 8.025 -0.327 19974 8359 1 11 . 1 1 13 13 GLU N N 13 118.170 118.170 120.476 -2.306 19974 8360 1 11 . 1 1 13 13 GLU HA H 13 3.640 3.640 4.032 -0.392 19974 8361 1 11 . 1 1 13 13 GLU C C 13 178.070 178.070 178.808 -0.738 19974 8362 1 11 . 1 1 13 13 GLU CA C 13 60.539 60.539 59.279 1.260 19974 8363 1 11 . 1 1 13 13 GLU CB C 13 29.130 29.130 29.585 -0.456 19974 8364 1 11 . 1 1 13 13 GLU H H 13 8.493 8.493 8.416 0.077 19974 8365 1 11 . 1 1 14 14 LYS N N 14 117.980 117.980 119.842 -1.862 19974 8366 1 11 . 1 1 14 14 LYS HA H 14 3.887 3.887 3.962 -0.075 19974 8367 1 11 . 1 1 14 14 LYS C C 14 177.420 177.420 178.522 -1.102 19974 8368 1 11 . 1 1 14 14 LYS CA C 14 59.350 59.350 59.651 -0.301 19974 8369 1 11 . 1 1 14 14 LYS CB C 14 32.200 32.200 32.437 -0.237 19974 8370 1 11 . 1 1 14 14 LYS H H 14 7.650 7.650 8.435 -0.785 19974 8371 1 11 . 1 1 15 15 ALA N N 15 119.210 119.210 121.541 -2.331 19974 8372 1 11 . 1 1 15 15 ALA HA H 15 4.098 4.098 4.081 0.017 19974 8373 1 11 . 1 1 15 15 ALA C C 15 180.550 180.550 179.893 0.657 19974 8374 1 11 . 1 1 15 15 ALA CA C 15 54.600 54.600 54.896 -0.296 19974 8375 1 11 . 1 1 15 15 ALA CB C 15 17.790 17.790 18.411 -0.621 19974 8376 1 11 . 1 1 15 15 ALA H H 15 7.362 7.362 7.476 -0.114 19974 8377 1 11 . 1 1 16 16 ILE N N 16 119.990 119.990 118.727 1.263 19974 8378 1 11 . 1 1 16 16 ILE HA H 16 3.493 3.493 3.744 -0.251 19974 8379 1 11 . 1 1 16 16 ILE C C 16 176.510 176.510 177.546 -1.036 19974 8380 1 11 . 1 1 16 16 ILE CA C 16 65.072 65.072 63.858 1.214 19974 8381 1 11 . 1 1 16 16 ILE CB C 16 37.580 37.580 38.322 -0.742 19974 8382 1 11 . 1 1 16 16 ILE H H 16 7.592 7.592 7.508 0.084 19974 8383 1 11 . 1 1 17 17 VAL N N 17 121.520 121.520 122.226 -0.706 19974 8384 1 11 . 1 1 17 17 VAL HA H 17 3.504 3.504 3.557 -0.053 19974 8385 1 11 . 1 1 17 17 VAL C C 17 178.620 178.620 177.931 0.689 19974 8386 1 11 . 1 1 17 17 VAL CA C 17 67.324 67.324 66.867 0.457 19974 8387 1 11 . 1 1 17 17 VAL CB C 17 31.350 31.350 31.727 -0.377 19974 8388 1 11 . 1 1 17 17 VAL H H 17 8.155 8.155 8.293 -0.138 19974 8389 1 11 . 1 1 18 18 ASP N N 18 120.000 120.000 119.707 0.293 19974 8390 1 11 . 1 1 18 18 ASP HA H 18 4.223 4.223 4.342 -0.119 19974 8391 1 11 . 1 1 18 18 ASP C C 18 177.980 177.980 178.368 -0.388 19974 8392 1 11 . 1 1 18 18 ASP CA C 18 57.050 57.050 57.715 -0.665 19974 8393 1 11 . 1 1 18 18 ASP CB C 18 39.410 39.410 40.539 -1.129 19974 8394 1 11 . 1 1 18 18 ASP H H 18 8.605 8.605 8.468 0.137 19974 8395 1 11 . 1 1 19 19 ALA N N 19 122.620 122.620 122.819 -0.199 19974 8396 1 11 . 1 1 19 19 ALA HA H 19 4.194 4.194 4.051 0.143 19974 8397 1 11 . 1 1 19 19 ALA C C 19 180.720 180.720 179.427 1.293 19974 8398 1 11 . 1 1 19 19 ALA CA C 19 54.970 54.970 54.992 -0.022 19974 8399 1 11 . 1 1 19 19 ALA CB C 19 17.850 17.850 18.599 -0.749 19974 8400 1 11 . 1 1 19 19 ALA H H 19 7.702 7.702 7.626 0.076 19974 8401 1 11 . 1 1 20 20 ILE N N 20 122.620 122.620 118.588 4.032 19974 8402 1 11 . 1 1 20 20 ILE HA H 20 3.309 3.309 3.656 -0.347 19974 8403 1 11 . 1 1 20 20 ILE C C 20 176.740 176.740 178.194 -1.454 19974 8404 1 11 . 1 1 20 20 ILE CA C 20 66.830 66.830 64.129 2.701 19974 8405 1 11 . 1 1 20 20 ILE CB C 20 38.140 38.140 36.861 1.279 19974 8406 1 11 . 1 1 20 20 ILE H H 20 8.234 8.234 7.636 0.598 19974 8407 1 11 . 1 1 21 21 ARG N N 21 119.660 119.660 119.117 0.543 19974 8408 1 11 . 1 1 21 21 ARG HA H 21 3.899 3.899 4.230 -0.331 19974 8409 1 11 . 1 1 21 21 ARG C C 21 179.540 179.540 178.761 0.779 19974 8410 1 11 . 1 1 21 21 ARG CA C 21 58.990 58.990 59.377 -0.387 19974 8411 1 11 . 1 1 21 21 ARG CB C 21 29.020 29.020 29.923 -0.903 19974 8412 1 11 . 1 1 21 21 ARG H H 21 8.212 8.212 7.758 0.454 19974 8413 1 11 . 1 1 22 22 ASP N N 22 118.640 118.640 117.969 0.671 19974 8414 1 11 . 1 1 22 22 ASP HA H 22 4.239 4.239 4.561 -0.322 19974 8415 1 11 . 1 1 22 22 ASP C C 22 179.190 179.190 177.001 2.189 19974 8416 1 11 . 1 1 22 22 ASP CA C 22 57.270 57.270 56.099 1.171 19974 8417 1 11 . 1 1 22 22 ASP CB C 22 39.770 39.770 40.741 -0.971 19974 8418 1 11 . 1 1 22 22 ASP H H 22 8.137 8.137 7.652 0.485 19974 8419 1 11 . 1 1 23 23 ALA N N 23 126.120 126.120 123.052 3.068 19974 8420 1 11 . 1 1 23 23 ALA HA H 23 4.207 4.207 4.030 0.177 19974 8421 1 11 . 1 1 23 23 ALA C C 23 181.060 181.060 179.218 1.842 19974 8422 1 11 . 1 1 23 23 ALA CA C 23 55.430 55.430 54.866 0.564 19974 8423 1 11 . 1 1 23 23 ALA CB C 23 18.690 18.690 18.870 -0.180 19974 8424 1 11 . 1 1 23 23 ALA H H 23 8.500 8.500 7.417 1.083 19974 8425 1 11 . 1 1 24 24 GLU N N 24 115.460 115.460 118.458 -2.998 19974 8426 1 11 . 1 1 24 24 GLU HA H 24 4.213 4.213 4.101 0.112 19974 8427 1 11 . 1 1 24 24 GLU C C 24 176.390 176.390 177.589 -1.199 19974 8428 1 11 . 1 1 24 24 GLU CA C 24 58.180 58.180 58.606 -0.426 19974 8429 1 11 . 1 1 24 24 GLU CB C 24 28.200 28.200 29.542 -1.342 19974 8430 1 11 . 1 1 24 24 GLU H H 24 8.451 8.451 8.099 0.352 19974 8431 1 11 . 1 1 25 25 LYS N N 25 115.790 115.790 115.554 0.236 19974 8432 1 11 . 1 1 25 25 LYS HA H 25 3.739 3.739 3.987 -0.248 19974 8433 1 11 . 1 1 25 25 LYS C C 25 176.020 176.020 176.139 -0.119 19974 8434 1 11 . 1 1 25 25 LYS CA C 25 56.220 56.220 57.096 -0.876 19974 8435 1 11 . 1 1 25 25 LYS CB C 25 32.070 32.070 31.997 0.073 19974 8436 1 11 . 1 1 25 25 LYS H H 25 7.083 7.083 7.390 -0.307 19974 8437 1 11 . 1 1 26 26 ASN N N 26 115.060 115.060 115.919 -0.859 19974 8438 1 11 . 1 1 26 26 ASN HA H 26 4.749 4.749 4.781 -0.032 19974 8439 1 11 . 1 1 26 26 ASN C C 26 174.280 174.280 174.182 0.098 19974 8440 1 11 . 1 1 26 26 ASN CA C 26 53.050 53.050 53.382 -0.332 19974 8441 1 11 . 1 1 26 26 ASN CB C 26 40.410 40.410 41.476 -1.066 19974 8442 1 11 . 1 1 26 26 ASN H H 26 7.931 7.931 7.984 -0.053 19974 8443 1 11 . 1 1 27 27 THR N N 27 113.430 113.430 113.364 0.066 19974 8444 1 11 . 1 1 27 27 THR HA H 27 5.507 5.507 5.100 0.407 19974 8445 1 11 . 1 1 27 27 THR C C 27 170.850 170.850 173.124 -2.274 19974 8446 1 11 . 1 1 27 27 THR CA C 27 57.130 57.130 59.692 -2.562 19974 8447 1 11 . 1 1 27 27 THR CB C 27 70.200 70.200 70.618 -0.418 19974 8448 1 11 . 1 1 27 27 THR H H 27 7.619 7.619 7.564 0.055 19974 8449 1 11 . 1 1 28 28 SER N N 28 119.450 119.450 119.452 -0.002 19974 8450 1 11 . 1 1 28 28 SER HA H 28 4.773 4.773 4.713 0.060 19974 8451 1 11 . 1 1 28 28 SER C C 28 176.330 176.330 173.846 2.484 19974 8452 1 11 . 1 1 28 28 SER CA C 28 58.913 58.913 57.802 1.111 19974 8453 1 11 . 1 1 28 28 SER CB C 28 64.360 64.360 63.327 1.034 19974 8454 1 11 . 1 1 28 28 SER H H 28 7.706 7.706 8.601 -0.895 19974 8455 1 11 . 1 1 29 29 GLY N N 29 111.350 111.350 108.961 2.389 19974 8456 1 11 . 1 1 29 29 GLY C C 29 171.210 171.210 172.704 -1.494 19974 8457 1 11 . 1 1 29 29 GLY CA C 29 44.643 44.643 45.008 -0.365 19974 8458 1 11 . 1 1 29 29 GLY H H 29 9.011 9.011 7.226 1.785 19974 8459 1 11 . 1 1 30 30 GLU N N 30 120.620 120.620 120.549 0.071 19974 8460 1 11 . 1 1 30 30 GLU HA H 30 4.867 4.867 4.788 0.079 19974 8461 1 11 . 1 1 30 30 GLU C C 30 174.500 174.500 175.619 -1.119 19974 8462 1 11 . 1 1 30 30 GLU CA C 30 54.320 54.320 54.992 -0.673 19974 8463 1 11 . 1 1 30 30 GLU CB C 30 34.030 34.030 31.643 2.387 19974 8464 1 11 . 1 1 30 30 GLU H H 30 6.897 6.897 8.390 -1.493 19974 8465 1 11 . 1 1 31 31 ILE N N 31 121.650 121.650 124.154 -2.504 19974 8466 1 11 . 1 1 31 31 ILE HA H 31 5.171 5.171 4.634 0.537 19974 8467 1 11 . 1 1 31 31 ILE C C 31 175.550 175.550 175.300 0.250 19974 8468 1 11 . 1 1 31 31 ILE CA C 31 59.740 59.740 60.568 -0.828 19974 8469 1 11 . 1 1 31 31 ILE CB C 31 42.520 42.520 40.300 2.220 19974 8470 1 11 . 1 1 31 31 ILE H H 31 8.546 8.546 8.644 -0.098 19974 8471 1 11 . 1 1 32 32 ARG N N 32 121.690 121.690 123.451 -1.761 19974 8472 1 11 . 1 1 32 32 ARG HA H 32 4.951 4.951 4.817 0.134 19974 8473 1 11 . 1 1 32 32 ARG C C 32 173.740 173.740 174.197 -0.457 19974 8474 1 11 . 1 1 32 32 ARG CA C 32 55.220 55.220 54.745 0.475 19974 8475 1 11 . 1 1 32 32 ARG CB C 32 34.720 34.720 35.081 -0.361 19974 8476 1 11 . 1 1 32 32 ARG H H 32 8.751 8.751 8.724 0.027 19974 8477 1 11 . 1 1 33 33 VAL N N 33 120.770 120.770 120.635 0.135 19974 8478 1 11 . 1 1 33 33 VAL HA H 33 4.972 4.972 4.712 0.260 19974 8479 1 11 . 1 1 33 33 VAL C C 33 173.790 173.790 173.918 -0.128 19974 8480 1 11 . 1 1 33 33 VAL CA C 33 59.700 59.700 61.135 -1.435 19974 8481 1 11 . 1 1 33 33 VAL CB C 33 34.820 34.820 34.802 0.018 19974 8482 1 11 . 1 1 33 33 VAL H H 33 8.617 8.617 8.937 -0.320 19974 8483 1 11 . 1 1 34 34 HIS N N 34 125.000 125.000 126.731 -1.731 19974 8484 1 11 . 1 1 34 34 HIS HA H 34 5.743 5.743 5.312 0.431 19974 8485 1 11 . 1 1 34 34 HIS C C 34 172.790 172.790 173.037 -0.247 19974 8486 1 11 . 1 1 34 34 HIS CA C 34 54.370 54.370 53.844 0.526 19974 8487 1 11 . 1 1 34 34 HIS CB C 34 36.840 36.840 32.371 4.469 19974 8488 1 11 . 1 1 34 34 HIS H H 34 8.552 8.552 9.219 -0.667 19974 8489 1 11 . 1 1 35 35 LEU N N 35 124.400 124.400 128.580 -4.180 19974 8490 1 11 . 1 1 35 35 LEU HA H 35 4.800 4.800 4.640 0.160 19974 8491 1 11 . 1 1 35 35 LEU C C 35 174.490 174.490 174.217 0.273 19974 8492 1 11 . 1 1 35 35 LEU CA C 35 52.190 52.190 53.894 -1.704 19974 8493 1 11 . 1 1 35 35 LEU CB C 35 44.880 44.880 44.984 -0.104 19974 8494 1 11 . 1 1 35 35 LEU H H 35 8.006 8.006 8.038 -0.032 19974 8495 1 11 . 1 1 36 36 GLU N N 36 116.112 116.112 124.292 -8.180 19974 8496 1 11 . 1 1 36 36 GLU HA H 36 4.573 4.573 4.575 -0.002 19974 8497 1 11 . 1 1 36 36 GLU C C 36 174.350 174.350 175.007 -0.657 19974 8498 1 11 . 1 1 36 36 GLU CA C 36 54.130 54.130 55.252 -1.122 19974 8499 1 11 . 1 1 36 36 GLU CB C 36 31.960 31.960 33.383 -1.423 19974 8500 1 11 . 1 1 36 36 GLU H H 36 8.235 8.235 8.333 -0.098 19974 8501 1 11 . 1 1 37 37 LYS N N 37 121.210 121.210 120.143 1.067 19974 8502 1 11 . 1 1 37 37 LYS HA H 37 3.731 3.731 4.292 -0.561 19974 8503 1 11 . 1 1 37 37 LYS C C 37 175.200 175.200 176.712 -1.512 19974 8504 1 11 . 1 1 37 37 LYS CA C 37 61.410 61.410 58.448 2.962 19974 8505 1 11 . 1 1 37 37 LYS CB C 37 33.090 33.090 32.915 0.175 19974 8506 1 11 . 1 1 37 37 LYS H H 37 9.055 9.055 8.466 0.589 19974 8507 1 11 . 1 1 38 38 THR N N 38 107.310 107.310 110.248 -2.938 19974 8508 1 11 . 1 1 38 38 THR HA H 38 4.448 4.448 4.723 -0.275 19974 8509 1 11 . 1 1 38 38 THR C C 38 171.420 171.420 174.438 -3.018 19974 8510 1 11 . 1 1 38 38 THR CA C 38 59.530 59.530 59.937 -0.407 19974 8511 1 11 . 1 1 38 38 THR CB C 38 69.570 69.570 70.631 -1.061 19974 8512 1 11 . 1 1 38 38 THR H H 38 7.480 7.480 7.827 -0.347 19974 8513 1 11 . 1 1 39 39 SER N N 39 116.050 116.050 116.463 -0.413 19974 8514 1 11 . 1 1 39 39 SER HA H 39 4.641 4.641 4.737 -0.096 19974 8515 1 11 . 1 1 39 39 SER C C 39 175.590 175.590 174.561 1.029 19974 8516 1 11 . 1 1 39 39 SER CA C 39 57.340 57.340 57.372 -0.032 19974 8517 1 11 . 1 1 39 39 SER CB C 39 64.560 64.560 64.717 -0.157 19974 8518 1 11 . 1 1 39 39 SER H H 39 8.177 8.177 8.477 -0.300 19974 8519 1 11 . 1 1 40 40 GLU N N 40 124.630 124.630 121.291 3.339 19974 8520 1 11 . 1 1 40 40 GLU HA H 40 4.118 4.118 4.299 -0.181 19974 8521 1 11 . 1 1 40 40 GLU C C 40 176.520 176.520 175.804 0.716 19974 8522 1 11 . 1 1 40 40 GLU CA C 40 58.100 58.100 57.702 0.398 19974 8523 1 11 . 1 1 40 40 GLU CB C 40 29.950 29.950 29.959 -0.008 19974 8524 1 11 . 1 1 40 40 GLU H H 40 8.905 8.905 8.959 -0.054 19974 8525 1 11 . 1 1 41 41 ILE N N 41 113.290 113.290 114.906 -1.616 19974 8526 1 11 . 1 1 41 41 ILE HA H 41 4.460 4.460 4.358 0.102 19974 8527 1 11 . 1 1 41 41 ILE C C 41 175.350 175.350 174.609 0.741 19974 8528 1 11 . 1 1 41 41 ILE CA C 41 59.490 59.490 59.018 0.472 19974 8529 1 11 . 1 1 41 41 ILE CB C 41 40.150 40.150 40.143 0.007 19974 8530 1 11 . 1 1 41 41 ILE H H 41 7.446 7.446 7.402 0.044 19974 8531 1 11 . 1 1 42 42 ASP N N 42 122.230 122.230 121.625 0.605 19974 8532 1 11 . 1 1 42 42 ASP HA H 42 4.280 4.280 4.865 -0.585 19974 8533 1 11 . 1 1 42 42 ASP C C 42 177.430 177.430 177.327 0.103 19974 8534 1 11 . 1 1 42 42 ASP CA C 42 55.360 55.360 53.951 1.409 19974 8535 1 11 . 1 1 42 42 ASP CB C 42 42.690 42.690 41.595 1.095 19974 8536 1 11 . 1 1 42 42 ASP H H 42 8.271 8.271 8.476 -0.205 19974 8537 1 11 . 1 1 43 43 VAL N N 43 122.150 122.150 123.571 -1.421 19974 8538 1 11 . 1 1 43 43 VAL HA H 43 3.569 3.569 3.493 0.076 19974 8539 1 11 . 1 1 43 43 VAL C C 43 175.780 175.780 177.675 -1.895 19974 8540 1 11 . 1 1 43 43 VAL CA C 43 65.420 65.420 65.725 -0.305 19974 8541 1 11 . 1 1 43 43 VAL CB C 43 31.300 31.300 32.092 -0.791 19974 8542 1 11 . 1 1 43 43 VAL H H 43 8.160 8.160 8.597 -0.437 19974 8543 1 11 . 1 1 44 44 PHE N N 44 121.770 121.770 120.886 0.884 19974 8544 1 11 . 1 1 44 44 PHE HA H 44 3.892 3.892 4.163 -0.271 19974 8545 1 11 . 1 1 44 44 PHE C C 44 177.140 177.140 176.742 0.398 19974 8546 1 11 . 1 1 44 44 PHE CA C 44 62.190 62.190 61.427 0.763 19974 8547 1 11 . 1 1 44 44 PHE CB C 44 38.350 38.350 38.249 0.100 19974 8548 1 11 . 1 1 44 44 PHE H H 44 8.101 8.101 8.202 -0.101 19974 8549 1 11 . 1 1 45 45 ASP N N 45 119.540 119.540 118.706 0.834 19974 8550 1 11 . 1 1 45 45 ASP HA H 45 4.106 4.106 4.129 -0.023 19974 8551 1 11 . 1 1 45 45 ASP C C 45 178.380 178.380 178.401 -0.021 19974 8552 1 11 . 1 1 45 45 ASP CA C 45 57.010 57.010 57.094 -0.084 19974 8553 1 11 . 1 1 45 45 ASP CB C 45 37.900 37.900 40.390 -2.490 19974 8554 1 11 . 1 1 45 45 ASP H H 45 7.317 7.317 8.454 -1.137 19974 8555 1 11 . 1 1 46 46 ARG N N 46 119.920 119.920 119.927 -0.007 19974 8556 1 11 . 1 1 46 46 ARG HA H 46 3.733 3.733 3.864 -0.131 19974 8557 1 11 . 1 1 46 46 ARG C C 46 176.750 176.750 178.105 -1.355 19974 8558 1 11 . 1 1 46 46 ARG CA C 46 57.136 57.136 59.306 -2.170 19974 8559 1 11 . 1 1 46 46 ARG CB C 46 28.590 28.590 30.145 -1.555 19974 8560 1 11 . 1 1 46 46 ARG H H 46 8.246 8.246 8.040 0.206 19974 8561 1 11 . 1 1 47 47 ALA N N 47 120.910 120.910 121.803 -0.893 19974 8562 1 11 . 1 1 47 47 ALA HA H 47 3.048 3.048 3.779 -0.731 19974 8563 1 11 . 1 1 47 47 ALA C C 47 177.810 177.810 178.938 -1.128 19974 8564 1 11 . 1 1 47 47 ALA CA C 47 55.010 55.010 55.009 0.001 19974 8565 1 11 . 1 1 47 47 ALA CB C 47 17.400 17.400 18.166 -0.766 19974 8566 1 11 . 1 1 47 47 ALA H H 47 7.803 7.803 8.002 -0.199 19974 8567 1 11 . 1 1 48 48 MET N N 48 115.800 115.800 118.475 -2.675 19974 8568 1 11 . 1 1 48 48 MET HA H 48 2.568 2.568 3.467 -0.899 19974 8569 1 11 . 1 1 48 48 MET C C 48 177.790 177.790 177.673 0.117 19974 8570 1 11 . 1 1 48 48 MET CA C 48 58.910 58.910 59.187 -0.277 19974 8571 1 11 . 1 1 48 48 MET CB C 48 32.750 32.750 32.132 0.619 19974 8572 1 11 . 1 1 48 48 MET H H 48 7.148 7.148 7.709 -0.561 19974 8573 1 11 . 1 1 49 49 ASP N N 49 121.130 121.130 119.508 1.622 19974 8574 1 11 . 1 1 49 49 ASP HA H 49 4.326 4.326 4.282 0.044 19974 8575 1 11 . 1 1 49 49 ASP C C 49 178.960 178.960 178.666 0.294 19974 8576 1 11 . 1 1 49 49 ASP CA C 49 57.330 57.330 57.627 -0.296 19974 8577 1 11 . 1 1 49 49 ASP CB C 49 40.180 40.180 40.895 -0.715 19974 8578 1 11 . 1 1 49 49 ASP H H 49 7.656 7.656 8.022 -0.366 19974 8579 1 11 . 1 1 50 50 VAL N N 50 122.030 122.030 120.142 1.888 19974 8580 1 11 . 1 1 50 50 VAL HA H 50 3.150 3.150 3.562 -0.412 19974 8581 1 11 . 1 1 50 50 VAL C C 50 176.610 176.610 177.725 -1.115 19974 8582 1 11 . 1 1 50 50 VAL CA C 50 66.980 66.980 66.415 0.566 19974 8583 1 11 . 1 1 50 50 VAL CB C 50 30.450 30.450 31.669 -1.219 19974 8584 1 11 . 1 1 50 50 VAL H H 50 8.506 8.506 8.194 0.312 19974 8585 1 11 . 1 1 51 51 PHE N N 51 120.010 120.010 120.978 -0.968 19974 8586 1 11 . 1 1 51 51 PHE HA H 51 3.701 3.701 4.095 -0.394 19974 8587 1 11 . 1 1 51 51 PHE C C 51 176.990 176.990 176.791 0.199 19974 8588 1 11 . 1 1 51 51 PHE CA C 51 61.610 61.610 62.209 -0.599 19974 8589 1 11 . 1 1 51 51 PHE CB C 51 39.350 39.350 39.361 -0.011 19974 8590 1 11 . 1 1 51 51 PHE H H 51 8.236 8.236 8.332 -0.096 19974 8591 1 11 . 1 1 52 52 HIS N N 52 114.400 114.400 117.336 -2.936 19974 8592 1 11 . 1 1 52 52 HIS HA H 52 4.322 4.322 4.632 -0.310 19974 8593 1 11 . 1 1 52 52 HIS C C 52 179.389 179.389 177.820 1.569 19974 8594 1 11 . 1 1 52 52 HIS CA C 52 59.670 59.670 58.977 0.693 19974 8595 1 11 . 1 1 52 52 HIS CB C 52 28.380 28.380 29.978 -1.598 19974 8596 1 11 . 1 1 52 52 HIS H H 52 7.595 7.595 8.291 -0.696 19974 8597 1 11 . 1 1 53 53 ASN N N 53 125.300 125.300 118.656 6.644 19974 8598 1 11 . 1 1 53 53 ASN HA H 53 4.346 4.346 4.565 -0.219 19974 8599 1 11 . 1 1 53 53 ASN C C 53 177.560 177.560 177.203 0.357 19974 8600 1 11 . 1 1 53 53 ASN CA C 53 56.260 56.260 55.528 0.732 19974 8601 1 11 . 1 1 53 53 ASN CB C 53 38.020 38.020 38.285 -0.265 19974 8602 1 11 . 1 1 53 53 ASN H H 53 9.216 9.216 8.416 0.800 19974 8603 1 11 . 1 1 54 54 LEU N N 54 117.070 117.070 117.785 -0.715 19974 8604 1 11 . 1 1 54 54 LEU HA H 54 4.114 4.114 4.227 -0.113 19974 8605 1 11 . 1 1 54 54 LEU C C 54 175.780 175.780 175.821 -0.041 19974 8606 1 11 . 1 1 54 54 LEU CA C 54 54.400 54.400 55.172 -0.772 19974 8607 1 11 . 1 1 54 54 LEU CB C 54 42.810 42.810 42.178 0.632 19974 8608 1 11 . 1 1 54 54 LEU H H 54 8.270 8.270 7.720 0.550 19974 8609 1 11 . 1 1 55 55 LYS N N 55 116.580 116.580 114.035 2.545 19974 8610 1 11 . 1 1 55 55 LYS HA H 55 3.954 3.954 3.813 0.141 19974 8611 1 11 . 1 1 55 55 LYS C C 55 177.650 177.650 177.251 0.399 19974 8612 1 11 . 1 1 55 55 LYS CA C 55 56.630 56.630 56.791 -0.161 19974 8613 1 11 . 1 1 55 55 LYS CB C 55 28.110 28.110 29.832 -1.722 19974 8614 1 11 . 1 1 55 55 LYS H H 55 7.953 7.953 7.149 0.804 19974 8615 1 11 . 1 1 56 56 MET N N 56 114.460 114.460 116.116 -1.656 19974 8616 1 11 . 1 1 56 56 MET HA H 56 3.624 3.624 3.983 -0.359 19974 8617 1 11 . 1 1 56 56 MET C C 56 174.010 174.010 176.829 -2.819 19974 8618 1 11 . 1 1 56 56 MET CA C 56 56.800 56.800 58.563 -1.763 19974 8619 1 11 . 1 1 56 56 MET CB C 56 28.620 28.620 31.767 -3.147 19974 8620 1 11 . 1 1 56 56 MET H H 56 7.496 7.496 7.289 0.207 19974 8621 1 11 . 1 1 57 57 ASP N N 57 113.610 113.610 118.218 -4.608 19974 8622 1 11 . 1 1 57 57 ASP HA H 57 4.490 4.490 4.611 -0.121 19974 8623 1 11 . 1 1 57 57 ASP C C 57 176.060 176.060 177.147 -1.087 19974 8624 1 11 . 1 1 57 57 ASP CA C 57 53.030 53.030 56.084 -3.054 19974 8625 1 11 . 1 1 57 57 ASP CB C 57 38.940 38.940 40.076 -1.136 19974 8626 1 11 . 1 1 57 57 ASP H H 57 8.921 8.921 8.126 0.795 19974 8627 1 11 . 1 1 58 58 ASN N N 58 119.880 119.880 118.709 1.171 19974 8628 1 11 . 1 1 58 58 ASN HA H 58 4.885 4.885 4.624 0.261 19974 8629 1 11 . 1 1 58 58 ASN C C 58 174.060 174.060 174.519 -0.459 19974 8630 1 11 . 1 1 58 58 ASN CA C 58 52.190 52.190 52.922 -0.732 19974 8631 1 11 . 1 1 58 58 ASN CB C 58 37.230 37.230 37.809 -0.579 19974 8632 1 11 . 1 1 58 58 ASN H H 58 7.070 7.070 7.542 -0.472 19974 8633 1 11 . 1 1 59 59 THR N N 59 108.570 108.570 111.108 -2.538 19974 8634 1 11 . 1 1 59 59 THR HA H 59 4.449 4.449 4.617 -0.168 19974 8635 1 11 . 1 1 59 59 THR C C 59 175.810 175.810 174.450 1.360 19974 8636 1 11 . 1 1 59 59 THR CA C 59 59.600 59.600 60.172 -0.572 19974 8637 1 11 . 1 1 59 59 THR CB C 59 70.900 70.900 71.949 -1.049 19974 8638 1 11 . 1 1 59 59 THR H H 59 7.636 7.636 7.849 -0.213 19974 8639 1 11 . 1 1 60 60 LYS N N 60 126.400 126.400 125.763 0.637 19974 8640 1 11 . 1 1 60 60 LYS HA H 60 3.923 3.923 4.143 -0.220 19974 8641 1 11 . 1 1 60 60 LYS C C 60 179.030 179.030 176.759 2.271 19974 8642 1 11 . 1 1 60 60 LYS CA C 60 59.600 59.600 59.051 0.548 19974 8643 1 11 . 1 1 60 60 LYS CB C 60 32.480 32.480 32.494 -0.014 19974 8644 1 11 . 1 1 60 60 LYS H H 60 10.322 10.322 8.886 1.436 19974 8645 1 11 . 1 1 61 61 LEU N N 61 114.780 114.780 116.597 -1.817 19974 8646 1 11 . 1 1 61 61 LEU HA H 61 4.430 4.430 4.442 -0.012 19974 8647 1 11 . 1 1 61 61 LEU C C 61 175.660 175.660 176.012 -0.352 19974 8648 1 11 . 1 1 61 61 LEU CA C 61 52.830 52.830 54.167 -1.337 19974 8649 1 11 . 1 1 61 61 LEU CB C 61 40.470 40.470 42.544 -2.074 19974 8650 1 11 . 1 1 61 61 LEU H H 61 8.555 8.555 7.944 0.611 19974 8651 1 11 . 1 1 62 62 GLN N N 62 116.490 116.490 113.961 2.529 19974 8652 1 11 . 1 1 62 62 GLN HA H 62 3.715 3.715 4.003 -0.287 19974 8653 1 11 . 1 1 62 62 GLN C C 62 175.060 175.060 174.897 0.163 19974 8654 1 11 . 1 1 62 62 GLN CA C 62 56.440 56.440 56.435 0.005 19974 8655 1 11 . 1 1 62 62 GLN CB C 62 26.480 26.480 26.322 0.158 19974 8656 1 11 . 1 1 62 62 GLN H H 62 7.526 7.526 7.816 -0.290 19974 8657 1 11 . 1 1 63 63 ASN N N 63 114.760 114.760 115.208 -0.448 19974 8658 1 11 . 1 1 63 63 ASN HA H 63 4.352 4.352 4.820 -0.468 19974 8659 1 11 . 1 1 63 63 ASN C C 63 173.790 173.790 175.283 -1.493 19974 8660 1 11 . 1 1 63 63 ASN CA C 63 50.680 50.680 52.408 -1.728 19974 8661 1 11 . 1 1 63 63 ASN CB C 63 35.110 35.110 38.991 -3.881 19974 8662 1 11 . 1 1 63 63 ASN H H 63 8.243 8.243 7.807 0.436 19974 8663 1 11 . 1 1 64 64 GLY N N 64 105.820 105.820 108.077 -2.257 19974 8664 1 11 . 1 1 64 64 GLY C C 64 172.650 172.650 173.150 -0.500 19974 8665 1 11 . 1 1 64 64 GLY CA C 64 44.136 44.136 45.250 -1.114 19974 8666 1 11 . 1 1 64 64 GLY H H 64 8.618 8.618 7.702 0.916 19974 8667 1 11 . 1 1 65 65 VAL N N 65 120.490 120.490 126.538 -6.048 19974 8668 1 11 . 1 1 65 65 VAL HA H 65 4.814 4.814 4.298 0.516 19974 8669 1 11 . 1 1 65 65 VAL C C 65 172.610 172.610 174.245 -1.635 19974 8670 1 11 . 1 1 65 65 VAL CA C 65 60.890 60.890 61.797 -0.907 19974 8671 1 11 . 1 1 65 65 VAL CB C 65 35.570 35.570 33.859 1.711 19974 8672 1 11 . 1 1 65 65 VAL H H 65 9.053 9.053 9.244 -0.191 19974 8673 1 11 . 1 1 66 66 LEU N N 66 127.740 127.740 129.056 -1.316 19974 8674 1 11 . 1 1 66 66 LEU HA H 66 5.097 5.097 5.378 -0.281 19974 8675 1 11 . 1 1 66 66 LEU C C 66 175.120 175.120 174.856 0.264 19974 8676 1 11 . 1 1 66 66 LEU CA C 66 51.870 51.870 53.427 -1.557 19974 8677 1 11 . 1 1 66 66 LEU CB C 66 47.520 47.520 46.574 0.946 19974 8678 1 11 . 1 1 66 66 LEU H H 66 9.245 9.245 9.091 0.154 19974 8679 1 11 . 1 1 67 67 ILE N N 67 126.030 126.030 127.716 -1.686 19974 8680 1 11 . 1 1 67 67 ILE HA H 67 4.484 4.484 4.744 -0.260 19974 8681 1 11 . 1 1 67 67 ILE C C 67 173.290 173.290 174.817 -1.527 19974 8682 1 11 . 1 1 67 67 ILE CA C 67 61.090 61.090 60.501 0.589 19974 8683 1 11 . 1 1 67 67 ILE CB C 67 37.480 37.480 38.234 -0.755 19974 8684 1 11 . 1 1 67 67 ILE H H 67 8.974 8.974 9.019 -0.045 19974 8685 1 11 . 1 1 68 68 TYR N N 68 129.400 129.400 130.278 -0.878 19974 8686 1 11 . 1 1 68 68 TYR HA H 68 4.887 4.887 5.180 -0.293 19974 8687 1 11 . 1 1 68 68 TYR C C 68 174.140 174.140 173.931 0.209 19974 8688 1 11 . 1 1 68 68 TYR CA C 68 56.990 56.990 57.629 -0.639 19974 8689 1 11 . 1 1 68 68 TYR CB C 68 40.790 40.790 39.779 1.011 19974 8690 1 11 . 1 1 68 68 TYR H H 68 8.999 8.999 9.189 -0.190 19974 8691 1 11 . 1 1 69 69 VAL N N 69 126.790 126.790 128.495 -1.705 19974 8692 1 11 . 1 1 69 69 VAL HA H 69 4.401 4.401 4.737 -0.336 19974 8693 1 11 . 1 1 69 69 VAL C C 69 172.350 172.350 173.594 -1.244 19974 8694 1 11 . 1 1 69 69 VAL CA C 69 60.810 60.810 60.469 0.341 19974 8695 1 11 . 1 1 69 69 VAL CB C 69 34.360 34.360 35.607 -1.247 19974 8696 1 11 . 1 1 69 69 VAL H H 69 8.378 8.378 8.717 -0.339 19974 8697 1 11 . 1 1 70 70 ALA N N 70 129.770 129.770 129.565 0.205 19974 8698 1 11 . 1 1 70 70 ALA HA H 70 4.592 4.592 5.142 -0.550 19974 8699 1 11 . 1 1 70 70 ALA C C 70 177.620 177.620 178.105 -0.485 19974 8700 1 11 . 1 1 70 70 ALA CA C 70 49.210 49.210 49.883 -0.673 19974 8701 1 11 . 1 1 70 70 ALA CB C 70 17.470 17.470 19.533 -2.063 19974 8702 1 11 . 1 1 70 70 ALA H H 70 8.078 8.078 8.773 -0.695 19974 8703 1 11 . 1 1 71 71 VAL N N 71 120.880 120.880 120.809 0.071 19974 8704 1 11 . 1 1 71 71 VAL HA H 71 2.847 2.847 3.469 -0.622 19974 8705 1 11 . 1 1 71 71 VAL C C 71 178.310 178.310 176.534 1.776 19974 8706 1 11 . 1 1 71 71 VAL CA C 71 66.030 66.030 64.642 1.388 19974 8707 1 11 . 1 1 71 71 VAL CB C 71 32.110 32.110 31.161 0.949 19974 8708 1 11 . 1 1 71 71 VAL H H 71 8.597 8.597 8.616 -0.019 19974 8709 1 11 . 1 1 72 72 GLU N N 72 119.350 119.350 120.108 -0.758 19974 8710 1 11 . 1 1 72 72 GLU HA H 72 3.955 3.955 4.241 -0.286 19974 8711 1 11 . 1 1 72 72 GLU C C 72 177.650 177.650 177.756 -0.106 19974 8712 1 11 . 1 1 72 72 GLU CA C 72 59.260 59.260 58.645 0.615 19974 8713 1 11 . 1 1 72 72 GLU CB C 72 28.940 28.940 29.459 -0.519 19974 8714 1 11 . 1 1 72 72 GLU H H 72 9.107 9.107 7.725 1.382 19974 8715 1 11 . 1 1 73 73 ASP N N 73 115.250 115.250 117.436 -2.186 19974 8716 1 11 . 1 1 73 73 ASP HA H 73 4.544 4.544 4.680 -0.136 19974 8717 1 11 . 1 1 73 73 ASP C C 73 175.460 175.460 175.960 -0.500 19974 8718 1 11 . 1 1 73 73 ASP CA C 73 54.030 54.030 54.064 -0.034 19974 8719 1 11 . 1 1 73 73 ASP CB C 73 41.350 41.350 40.947 0.403 19974 8720 1 11 . 1 1 73 73 ASP H H 73 7.039 7.039 8.008 -0.969 19974 8721 1 11 . 1 1 74 74 LYS N N 74 115.850 115.850 117.204 -1.354 19974 8722 1 11 . 1 1 74 74 LYS HA H 74 3.502 3.502 3.859 -0.357 19974 8723 1 11 . 1 1 74 74 LYS C C 74 174.920 174.920 175.519 -0.599 19974 8724 1 11 . 1 1 74 74 LYS CA C 74 57.180 57.180 57.432 -0.252 19974 8725 1 11 . 1 1 74 74 LYS CB C 74 29.100 29.100 30.964 -1.864 19974 8726 1 11 . 1 1 74 74 LYS H H 74 8.012 8.012 8.017 -0.005 19974 8727 1 11 . 1 1 75 75 THR N N 75 111.710 111.710 108.956 2.754 19974 8728 1 11 . 1 1 75 75 THR HA H 75 4.725 4.725 4.981 -0.256 19974 8729 1 11 . 1 1 75 75 THR C C 75 172.150 172.150 173.002 -0.852 19974 8730 1 11 . 1 1 75 75 THR CA C 75 60.740 60.740 60.130 0.610 19974 8731 1 11 . 1 1 75 75 THR CB C 75 70.900 70.900 71.414 -0.514 19974 8732 1 11 . 1 1 75 75 THR H H 75 7.763 7.763 7.808 -0.045 19974 8733 1 11 . 1 1 76 76 PHE N N 76 117.220 117.220 118.166 -0.946 19974 8734 1 11 . 1 1 76 76 PHE HA H 76 5.968 5.968 5.698 0.270 19974 8735 1 11 . 1 1 76 76 PHE C C 76 173.250 173.250 173.612 -0.362 19974 8736 1 11 . 1 1 76 76 PHE CA C 76 54.920 54.920 56.049 -1.129 19974 8737 1 11 . 1 1 76 76 PHE CB C 76 42.780 42.780 41.978 0.802 19974 8738 1 11 . 1 1 76 76 PHE H H 76 7.992 7.992 7.795 0.197 19974 8739 1 11 . 1 1 77 77 VAL N N 77 120.030 120.030 121.157 -1.127 19974 8740 1 11 . 1 1 77 77 VAL HA H 77 4.015 4.015 4.566 -0.551 19974 8741 1 11 . 1 1 77 77 VAL C C 77 173.310 173.310 174.632 -1.322 19974 8742 1 11 . 1 1 77 77 VAL CA C 77 60.840 60.840 60.814 0.026 19974 8743 1 11 . 1 1 77 77 VAL CB C 77 37.410 37.410 36.305 1.105 19974 8744 1 11 . 1 1 77 77 VAL H H 77 9.447 9.447 9.262 0.185 19974 8745 1 11 . 1 1 78 78 ILE N N 78 125.240 125.240 124.872 0.368 19974 8746 1 11 . 1 1 78 78 ILE HA H 78 4.433 4.433 5.137 -0.704 19974 8747 1 11 . 1 1 78 78 ILE C C 78 174.090 174.090 175.281 -1.191 19974 8748 1 11 . 1 1 78 78 ILE CA C 78 60.081 60.081 60.217 -0.136 19974 8749 1 11 . 1 1 78 78 ILE CB C 78 38.340 38.340 39.806 -1.466 19974 8750 1 11 . 1 1 78 78 ILE H H 78 8.155 8.155 8.386 -0.231 19974 8751 1 11 . 1 1 79 79 TYR N N 79 130.130 130.130 128.232 1.898 19974 8752 1 11 . 1 1 79 79 TYR HA H 79 4.422 4.422 4.926 -0.504 19974 8753 1 11 . 1 1 79 79 TYR C C 79 172.740 172.740 173.652 -0.912 19974 8754 1 11 . 1 1 79 79 TYR CA C 79 57.390 57.390 57.292 0.098 19974 8755 1 11 . 1 1 79 79 TYR CB C 79 40.820 40.820 42.541 -1.721 19974 8756 1 11 . 1 1 79 79 TYR H H 79 9.328 9.328 9.518 -0.190 19974 8757 1 11 . 1 1 80 80 GLY N N 80 114.140 114.140 113.458 0.682 19974 8758 1 11 . 1 1 80 80 GLY C C 80 171.090 171.090 172.830 -1.740 19974 8759 1 11 . 1 1 80 80 GLY CA C 80 42.860 42.860 43.283 -0.423 19974 8760 1 11 . 1 1 80 80 GLY H H 80 7.837 7.837 7.904 -0.067 19974 8761 1 11 . 1 1 81 81 ASP N N 81 115.660 115.660 120.993 -5.333 19974 8762 1 11 . 1 1 81 81 ASP HA H 81 4.248 4.248 4.532 -0.284 19974 8763 1 11 . 1 1 81 81 ASP C C 81 176.980 176.980 177.919 -0.939 19974 8764 1 11 . 1 1 81 81 ASP CA C 81 51.950 51.950 53.737 -1.787 19974 8765 1 11 . 1 1 81 81 ASP CB C 81 41.260 41.260 43.280 -2.020 19974 8766 1 11 . 1 1 81 81 ASP H H 81 7.633 7.633 8.527 -0.894 19974 8767 1 11 . 1 1 82 82 LYS N N 82 120.470 120.470 122.411 -1.941 19974 8768 1 11 . 1 1 82 82 LYS HA H 82 3.764 3.764 3.943 -0.179 19974 8769 1 11 . 1 1 82 82 LYS C C 82 176.350 176.350 178.653 -2.303 19974 8770 1 11 . 1 1 82 82 LYS CA C 82 59.290 59.290 60.119 -0.829 19974 8771 1 11 . 1 1 82 82 LYS CB C 82 33.720 33.720 32.405 1.315 19974 8772 1 11 . 1 1 82 82 LYS H H 82 9.212 9.212 8.909 0.303 19974 8773 1 11 . 1 1 83 83 GLY N N 83 105.260 105.260 107.051 -1.791 19974 8774 1 11 . 1 1 83 83 GLY C C 83 176.540 176.540 175.875 0.665 19974 8775 1 11 . 1 1 83 83 GLY CA C 83 46.260 46.260 47.016 -0.756 19974 8776 1 11 . 1 1 83 83 GLY H H 83 8.367 8.367 7.913 0.454 19974 8777 1 11 . 1 1 84 84 ILE N N 84 117.510 117.510 122.855 -5.345 19974 8778 1 11 . 1 1 84 84 ILE HA H 84 3.644 3.644 3.645 -0.001 19974 8779 1 11 . 1 1 84 84 ILE C C 84 177.010 177.010 177.893 -0.883 19974 8780 1 11 . 1 1 84 84 ILE CA C 84 63.636 63.636 65.289 -1.653 19974 8781 1 11 . 1 1 84 84 ILE CB C 84 38.820 38.820 37.957 0.863 19974 8782 1 11 . 1 1 84 84 ILE H H 84 7.040 7.040 7.428 -0.388 19974 8783 1 11 . 1 1 85 85 ASN N N 85 117.400 117.400 116.645 0.755 19974 8784 1 11 . 1 1 85 85 ASN HA H 85 4.115 4.115 4.400 -0.285 19974 8785 1 11 . 1 1 85 85 ASN C C 85 176.600 176.600 176.642 -0.042 19974 8786 1 11 . 1 1 85 85 ASN CA C 85 55.840 55.840 55.418 0.422 19974 8787 1 11 . 1 1 85 85 ASN CB C 85 37.720 37.720 37.841 -0.121 19974 8788 1 11 . 1 1 85 85 ASN H H 85 7.351 7.351 7.835 -0.484 19974 8789 1 11 . 1 1 86 86 ASP N N 86 115.890 115.890 117.435 -1.545 19974 8790 1 11 . 1 1 86 86 ASP HA H 86 4.391 4.391 4.756 -0.365 19974 8791 1 11 . 1 1 86 86 ASP C C 86 177.240 177.240 176.518 0.722 19974 8792 1 11 . 1 1 86 86 ASP CA C 86 56.260 56.260 55.307 0.953 19974 8793 1 11 . 1 1 86 86 ASP CB C 86 41.200 41.200 41.339 -0.139 19974 8794 1 11 . 1 1 86 86 ASP H H 86 8.377 8.377 8.222 0.155 19974 8795 1 11 . 1 1 87 87 VAL N N 87 109.640 109.640 117.901 -8.261 19974 8796 1 11 . 1 1 87 87 VAL HA H 87 4.473 4.473 4.276 0.197 19974 8797 1 11 . 1 1 87 87 VAL C C 87 175.780 175.780 175.387 0.393 19974 8798 1 11 . 1 1 87 87 VAL CA C 87 61.320 61.320 62.504 -1.184 19974 8799 1 11 . 1 1 87 87 VAL CB C 87 34.170 34.170 33.799 0.371 19974 8800 1 11 . 1 1 87 87 VAL H H 87 7.196 7.196 7.699 -0.503 19974 8801 1 11 . 1 1 88 88 VAL N N 88 113.200 113.200 114.189 -0.989 19974 8802 1 11 . 1 1 88 88 VAL HA H 88 3.789 3.789 4.121 -0.332 19974 8803 1 11 . 1 1 88 88 VAL C C 88 175.760 175.760 174.317 1.443 19974 8804 1 11 . 1 1 88 88 VAL CA C 88 60.640 60.640 59.418 1.222 19974 8805 1 11 . 1 1 88 88 VAL CB C 88 32.970 32.970 33.773 -0.803 19974 8806 1 11 . 1 1 88 88 VAL H H 88 6.921 6.921 7.910 -0.989 19974 8807 1 11 . 1 1 89 89 SER N N 89 114.460 114.460 114.179 0.281 19974 8808 1 11 . 1 1 89 89 SER HA H 89 4.546 4.546 4.758 -0.212 19974 8809 1 11 . 1 1 89 89 SER C C 89 175.720 175.720 174.905 0.815 19974 8810 1 11 . 1 1 89 89 SER CA C 89 57.330 57.330 56.691 0.639 19974 8811 1 11 . 1 1 89 89 SER CB C 89 64.500 64.500 66.081 -1.581 19974 8812 1 11 . 1 1 89 89 SER H H 89 7.738 7.738 8.333 -0.595 19974 8813 1 11 . 1 1 90 90 ASP N N 90 120.250 120.250 122.631 -2.381 19974 8814 1 11 . 1 1 90 90 ASP HA H 90 4.361 4.361 4.433 -0.072 19974 8815 1 11 . 1 1 90 90 ASP C C 90 176.630 176.630 178.342 -1.712 19974 8816 1 11 . 1 1 90 90 ASP CA C 90 57.050 57.050 57.282 -0.232 19974 8817 1 11 . 1 1 90 90 ASP CB C 90 40.540 40.540 40.706 -0.167 19974 8818 1 11 . 1 1 90 90 ASP H H 90 8.687 8.687 8.749 -0.062 19974 8819 1 11 . 1 1 91 91 ASP N N 91 116.800 116.800 118.752 -1.952 19974 8820 1 11 . 1 1 91 91 ASP HA H 91 4.605 4.605 4.671 -0.066 19974 8821 1 11 . 1 1 91 91 ASP C C 91 177.610 177.610 178.320 -0.710 19974 8822 1 11 . 1 1 91 91 ASP CA C 91 52.890 52.890 57.088 -4.198 19974 8823 1 11 . 1 1 91 91 ASP CB C 91 40.230 40.230 40.699 -0.469 19974 8824 1 11 . 1 1 91 91 ASP H H 91 8.250 8.250 8.662 -0.412 19974 8825 1 11 . 1 1 92 92 PHE N N 92 122.130 122.130 121.504 0.626 19974 8826 1 11 . 1 1 92 92 PHE HA H 92 3.857 3.857 4.307 -0.450 19974 8827 1 11 . 1 1 92 92 PHE C C 92 177.040 177.040 177.188 -0.148 19974 8828 1 11 . 1 1 92 92 PHE CA C 92 61.910 61.910 61.235 0.675 19974 8829 1 11 . 1 1 92 92 PHE CB C 92 40.696 40.696 39.206 1.490 19974 8830 1 11 . 1 1 92 92 PHE H H 92 7.564 7.564 7.625 -0.061 19974 8831 1 11 . 1 1 93 93 TRP N N 93 113.980 113.980 119.193 -5.213 19974 8832 1 11 . 1 1 93 93 TRP HA H 93 4.726 4.726 4.478 0.248 19974 8833 1 11 . 1 1 93 93 TRP C C 93 176.420 176.420 178.254 -1.834 19974 8834 1 11 . 1 1 93 93 TRP CA C 93 56.020 56.020 60.042 -4.022 19974 8835 1 11 . 1 1 93 93 TRP CB C 93 29.990 29.990 28.881 1.109 19974 8836 1 11 . 1 1 93 93 TRP H H 93 8.532 8.532 8.114 0.418 19974 8837 1 11 . 1 1 94 94 ASP N N 94 122.120 122.120 119.612 2.508 19974 8838 1 11 . 1 1 94 94 ASP HA H 94 4.228 4.228 4.431 -0.203 19974 8839 1 11 . 1 1 94 94 ASP C C 94 178.550 178.550 178.585 -0.035 19974 8840 1 11 . 1 1 94 94 ASP CA C 94 59.120 59.120 58.128 0.992 19974 8841 1 11 . 1 1 94 94 ASP CB C 94 39.140 39.140 40.308 -1.168 19974 8842 1 11 . 1 1 94 94 ASP H H 94 7.904 7.904 8.634 -0.730 19974 8843 1 11 . 1 1 95 95 THR N N 95 111.200 111.200 112.016 -0.816 19974 8844 1 11 . 1 1 95 95 THR HA H 95 4.004 4.004 3.955 0.049 19974 8845 1 11 . 1 1 95 95 THR C C 95 177.630 177.630 176.488 1.142 19974 8846 1 11 . 1 1 95 95 THR CA C 95 65.560 65.560 65.989 -0.429 19974 8847 1 11 . 1 1 95 95 THR CB C 95 68.230 68.230 68.561 -0.331 19974 8848 1 11 . 1 1 95 95 THR H H 95 8.559 8.559 7.595 0.964 19974 8849 1 11 . 1 1 96 96 THR N N 96 123.230 123.230 118.633 4.597 19974 8850 1 11 . 1 1 96 96 THR HA H 96 3.725 3.725 3.862 -0.137 19974 8851 1 11 . 1 1 96 96 THR C C 96 175.410 175.410 176.594 -1.184 19974 8852 1 11 . 1 1 96 96 THR CA C 96 68.286 68.286 66.768 1.518 19974 8853 1 11 . 1 1 96 96 THR CB C 96 68.200 68.200 68.482 -0.282 19974 8854 1 11 . 1 1 96 96 THR H H 96 7.991 7.991 7.585 0.406 19974 8855 1 11 . 1 1 97 97 ARG N N 97 119.960 119.960 120.885 -0.925 19974 8856 1 11 . 1 1 97 97 ARG HA H 97 3.829 3.829 4.018 -0.189 19974 8857 1 11 . 1 1 97 97 ARG C C 97 178.320 178.320 178.676 -0.356 19974 8858 1 11 . 1 1 97 97 ARG CA C 97 60.390 60.390 59.985 0.405 19974 8859 1 11 . 1 1 97 97 ARG CB C 97 29.870 29.870 30.144 -0.274 19974 8860 1 11 . 1 1 97 97 ARG H H 97 8.825 8.825 8.150 0.675 19974 8861 1 11 . 1 1 98 98 ASN N N 98 115.680 115.680 118.059 -2.379 19974 8862 1 11 . 1 1 98 98 ASN HA H 98 4.390 4.390 4.489 -0.099 19974 8863 1 11 . 1 1 98 98 ASN C C 98 176.620 176.620 177.387 -0.767 19974 8864 1 11 . 1 1 98 98 ASN CA C 98 56.050 56.050 56.483 -0.433 19974 8865 1 11 . 1 1 98 98 ASN CB C 98 38.220 38.220 38.384 -0.164 19974 8866 1 11 . 1 1 98 98 ASN H H 98 8.508 8.508 8.193 0.315 19974 8867 1 11 . 1 1 99 99 ALA N N 99 120.830 120.830 123.611 -2.781 19974 8868 1 11 . 1 1 99 99 ALA HA H 99 4.020 4.020 3.995 0.025 19974 8869 1 11 . 1 1 99 99 ALA C C 99 179.800 179.800 179.717 0.083 19974 8870 1 11 . 1 1 99 99 ALA CA C 99 54.770 54.770 55.039 -0.269 19974 8871 1 11 . 1 1 99 99 ALA CB C 99 18.110 18.110 18.522 -0.412 19974 8872 1 11 . 1 1 99 99 ALA H H 99 7.447 7.447 8.045 -0.598 19974 8873 1 11 . 1 1 100 100 ILE N N 100 116.240 116.240 118.912 -2.672 19974 8874 1 11 . 1 1 100 100 ILE HA H 100 3.203 3.203 3.596 -0.393 19974 8875 1 11 . 1 1 100 100 ILE C C 100 178.050 178.050 177.624 0.426 19974 8876 1 11 . 1 1 100 100 ILE CA C 100 64.550 64.550 64.850 -0.300 19974 8877 1 11 . 1 1 100 100 ILE CB C 100 37.640 37.640 37.316 0.324 19974 8878 1 11 . 1 1 100 100 ILE H H 100 7.339 7.339 7.514 -0.175 19974 8879 1 11 . 1 1 101 101 GLN N N 101 118.750 118.750 119.943 -1.193 19974 8880 1 11 . 1 1 101 101 GLN HA H 101 3.917 3.917 3.760 0.157 19974 8881 1 11 . 1 1 101 101 GLN C C 101 177.870 177.870 178.620 -0.750 19974 8882 1 11 . 1 1 101 101 GLN CA C 101 59.200 59.200 59.423 -0.223 19974 8883 1 11 . 1 1 101 101 GLN CB C 101 28.860 28.860 28.939 -0.078 19974 8884 1 11 . 1 1 101 101 GLN H H 101 8.359 8.359 8.085 0.274 19974 8885 1 11 . 1 1 102 102 LEU N N 102 117.790 117.790 118.876 -1.086 19974 8886 1 11 . 1 1 102 102 LEU HA H 102 3.951 3.951 4.025 -0.074 19974 8887 1 11 . 1 1 102 102 LEU C C 102 179.550 179.550 179.541 0.009 19974 8888 1 11 . 1 1 102 102 LEU CA C 102 58.190 58.190 57.925 0.265 19974 8889 1 11 . 1 1 102 102 LEU CB C 102 42.320 42.320 41.778 0.542 19974 8890 1 11 . 1 1 102 102 LEU H H 102 8.119 8.119 8.362 -0.243 19974 8891 1 11 . 1 1 103 103 GLN N N 103 113.650 113.650 117.733 -4.083 19974 8892 1 11 . 1 1 103 103 GLN HA H 103 4.426 4.426 4.151 0.275 19974 8893 1 11 . 1 1 103 103 GLN C C 103 179.680 179.680 178.859 0.821 19974 8894 1 11 . 1 1 103 103 GLN CA C 103 56.550 56.550 58.279 -1.729 19974 8895 1 11 . 1 1 103 103 GLN CB C 103 27.480 27.480 28.528 -1.048 19974 8896 1 11 . 1 1 103 103 GLN H H 103 6.636 6.636 7.658 -1.022 19974 8897 1 11 . 1 1 104 104 PHE N N 104 123.740 123.740 121.087 2.653 19974 8898 1 11 . 1 1 104 104 PHE HA H 104 3.895 3.895 4.309 -0.414 19974 8899 1 11 . 1 1 104 104 PHE C C 104 180.130 180.130 177.881 2.249 19974 8900 1 11 . 1 1 104 104 PHE CA C 104 59.760 59.760 61.423 -1.663 19974 8901 1 11 . 1 1 104 104 PHE CB C 104 36.620 36.620 38.734 -2.114 19974 8902 1 11 . 1 1 104 104 PHE H H 104 9.161 9.161 8.760 0.401 19974 8903 1 11 . 1 1 105 105 LYS N N 105 119.280 119.280 117.614 1.666 19974 8904 1 11 . 1 1 105 105 LYS HA H 105 4.126 4.126 4.110 0.016 19974 8905 1 11 . 1 1 105 105 LYS C C 105 177.290 177.290 178.619 -1.329 19974 8906 1 11 . 1 1 105 105 LYS CA C 105 58.913 58.913 58.871 0.042 19974 8907 1 11 . 1 1 105 105 LYS CB C 105 31.920 31.920 32.168 -0.248 19974 8908 1 11 . 1 1 105 105 LYS H H 105 8.519 8.519 8.311 0.208 19974 8909 1 11 . 1 1 106 106 GLN N N 106 114.530 114.530 116.215 -1.685 19974 8910 1 11 . 1 1 106 106 GLN HA H 106 4.415 4.415 4.242 0.173 19974 8911 1 11 . 1 1 106 106 GLN C C 106 175.450 175.450 177.136 -1.686 19974 8912 1 11 . 1 1 106 106 GLN CA C 106 54.850 54.850 56.716 -1.866 19974 8913 1 11 . 1 1 106 106 GLN CB C 106 30.010 30.010 29.721 0.289 19974 8914 1 11 . 1 1 106 106 GLN H H 106 6.934 6.934 7.379 -0.445 19974 8915 1 11 . 1 1 107 107 GLY N N 107 106.800 106.800 107.102 -0.302 19974 8916 1 11 . 1 1 107 107 GLY C C 107 173.140 173.140 173.686 -0.546 19974 8917 1 11 . 1 1 107 107 GLY CA C 107 44.930 44.930 44.539 0.391 19974 8918 1 11 . 1 1 107 107 GLY H H 107 7.722 7.722 8.243 -0.521 19974 8919 1 11 . 1 1 108 108 ASN N N 108 120.230 120.230 120.539 -0.309 19974 8920 1 11 . 1 1 108 108 ASN HA H 108 4.827 4.827 4.831 -0.004 19974 8921 1 11 . 1 1 108 108 ASN C C 108 174.820 174.820 175.103 -0.283 19974 8922 1 11 . 1 1 108 108 ASN CA C 108 50.520 50.520 50.685 -0.165 19974 8923 1 11 . 1 1 108 108 ASN CB C 108 37.090 37.090 37.707 -0.617 19974 8924 1 11 . 1 1 108 108 ASN H H 108 7.654 7.654 7.978 -0.324 19974 8925 1 11 . 1 1 109 109 PHE N N 109 122.130 122.130 121.681 0.449 19974 8926 1 11 . 1 1 109 109 PHE HA H 109 4.038 4.038 3.591 0.447 19974 8927 1 11 . 1 1 109 109 PHE C C 109 177.270 177.270 177.564 -0.294 19974 8928 1 11 . 1 1 109 109 PHE CA C 109 60.670 60.670 61.015 -0.345 19974 8929 1 11 . 1 1 109 109 PHE CB C 109 38.220 38.220 38.216 0.004 19974 8930 1 11 . 1 1 109 109 PHE H H 109 7.231 7.231 7.052 0.179 19974 8931 1 11 . 1 1 110 110 LYS N N 110 118.670 118.670 119.959 -1.289 19974 8932 1 11 . 1 1 110 110 LYS HA H 110 3.610 3.610 3.940 -0.330 19974 8933 1 11 . 1 1 110 110 LYS C C 110 177.680 177.680 178.702 -1.022 19974 8934 1 11 . 1 1 110 110 LYS CA C 110 60.050 60.050 60.255 -0.205 19974 8935 1 11 . 1 1 110 110 LYS CB C 110 29.680 29.680 31.829 -2.149 19974 8936 1 11 . 1 1 110 110 LYS H H 110 8.727 8.727 8.381 0.346 19974 8937 1 11 . 1 1 111 111 GLN N N 111 117.980 117.980 117.834 0.146 19974 8938 1 11 . 1 1 111 111 GLN HA H 111 3.491 3.491 4.053 -0.561 19974 8939 1 11 . 1 1 111 111 GLN C C 111 177.640 177.640 178.594 -0.954 19974 8940 1 11 . 1 1 111 111 GLN CA C 111 57.530 57.530 58.792 -1.262 19974 8941 1 11 . 1 1 111 111 GLN CB C 111 28.460 28.460 28.378 0.082 19974 8942 1 11 . 1 1 111 111 GLN H H 111 8.442 8.442 8.077 0.365 19974 8943 1 11 . 1 1 112 112 GLY N N 112 103.740 103.740 108.078 -4.338 19974 8944 1 11 . 1 1 112 112 GLY C C 112 173.970 173.970 176.178 -2.208 19974 8945 1 11 . 1 1 112 112 GLY CA C 112 48.730 48.730 47.057 1.673 19974 8946 1 11 . 1 1 112 112 GLY H H 112 8.196 8.196 8.433 -0.237 19974 8947 1 11 . 1 1 113 113 LEU N N 113 119.640 119.640 123.179 -3.539 19974 8948 1 11 . 1 1 113 113 LEU HA H 113 3.868 3.868 3.942 -0.074 19974 8949 1 11 . 1 1 113 113 LEU C C 113 177.480 177.480 178.990 -1.510 19974 8950 1 11 . 1 1 113 113 LEU CA C 113 58.150 58.150 58.028 0.122 19974 8951 1 11 . 1 1 113 113 LEU CB C 113 41.920 41.920 42.007 -0.087 19974 8952 1 11 . 1 1 113 113 LEU H H 113 7.614 7.614 8.125 -0.511 19974 8953 1 11 . 1 1 114 114 VAL N N 114 118.510 118.510 120.226 -1.716 19974 8954 1 11 . 1 1 114 114 VAL HA H 114 3.269 3.269 3.500 -0.231 19974 8955 1 11 . 1 1 114 114 VAL C C 114 177.330 177.330 177.970 -0.640 19974 8956 1 11 . 1 1 114 114 VAL CA C 114 67.787 67.787 67.340 0.447 19974 8957 1 11 . 1 1 114 114 VAL CB C 114 31.600 31.600 31.597 0.003 19974 8958 1 11 . 1 1 114 114 VAL H H 114 8.284 8.284 8.622 -0.338 19974 8959 1 11 . 1 1 115 115 ASP N N 115 119.440 119.440 119.230 0.210 19974 8960 1 11 . 1 1 115 115 ASP HA H 115 4.261 4.261 4.434 -0.173 19974 8961 1 11 . 1 1 115 115 ASP C C 115 179.840 179.840 178.473 1.367 19974 8962 1 11 . 1 1 115 115 ASP CA C 115 56.950 56.950 56.837 0.113 19974 8963 1 11 . 1 1 115 115 ASP CB C 115 39.840 39.840 40.599 -0.759 19974 8964 1 11 . 1 1 115 115 ASP H H 115 8.724 8.724 8.613 0.111 19974 8965 1 11 . 1 1 116 116 GLY N N 116 107.280 107.280 108.434 -1.154 19974 8966 1 11 . 1 1 116 116 GLY C C 116 174.130 174.130 176.336 -2.206 19974 8967 1 11 . 1 1 116 116 GLY CA C 116 47.190 47.190 47.073 0.117 19974 8968 1 11 . 1 1 116 116 GLY H H 116 8.370 8.370 7.873 0.497 19974 8969 1 11 . 1 1 117 117 ILE N N 117 123.350 123.350 122.480 0.870 19974 8970 1 11 . 1 1 117 117 ILE HA H 117 3.307 3.307 3.565 -0.258 19974 8971 1 11 . 1 1 117 117 ILE C C 117 176.750 176.750 177.371 -0.621 19974 8972 1 11 . 1 1 117 117 ILE CA C 117 66.168 66.168 65.572 0.596 19974 8973 1 11 . 1 1 117 117 ILE CB C 117 37.760 37.760 37.907 -0.147 19974 8974 1 11 . 1 1 117 117 ILE H H 117 8.573 8.573 8.573 -0.000 19974 8975 1 11 . 1 1 118 118 GLU N N 118 119.220 119.220 120.817 -1.597 19974 8976 1 11 . 1 1 118 118 GLU HA H 118 4.003 4.003 3.828 0.175 19974 8977 1 11 . 1 1 118 118 GLU C C 118 180.600 180.600 178.757 1.843 19974 8978 1 11 . 1 1 118 118 GLU CA C 118 59.472 59.472 60.064 -0.592 19974 8979 1 11 . 1 1 118 118 GLU CB C 118 29.310 29.310 29.504 -0.194 19974 8980 1 11 . 1 1 118 118 GLU H H 118 7.998 7.998 8.387 -0.389 19974 8981 1 11 . 1 1 119 119 LYS N N 119 118.270 118.270 118.960 -0.690 19974 8982 1 11 . 1 1 119 119 LYS HA H 119 3.897 3.897 4.025 -0.128 19974 8983 1 11 . 1 1 119 119 LYS C C 119 179.040 179.040 178.965 0.075 19974 8984 1 11 . 1 1 119 119 LYS CA C 119 58.090 58.090 59.352 -1.262 19974 8985 1 11 . 1 1 119 119 LYS CB C 119 31.340 31.340 32.342 -1.002 19974 8986 1 11 . 1 1 119 119 LYS H H 119 7.846 7.846 7.991 -0.145 19974 8987 1 11 . 1 1 120 120 ALA N N 120 125.280 125.280 122.544 2.736 19974 8988 1 11 . 1 1 120 120 ALA HA H 120 4.195 4.195 3.893 0.302 19974 8989 1 11 . 1 1 120 120 ALA C C 120 180.230 180.230 179.483 0.747 19974 8990 1 11 . 1 1 120 120 ALA CA C 120 55.040 55.040 55.055 -0.015 19974 8991 1 11 . 1 1 120 120 ALA CB C 120 17.380 17.380 18.271 -0.891 19974 8992 1 11 . 1 1 120 120 ALA H H 120 9.092 9.092 8.179 0.913 19974 8993 1 11 . 1 1 121 121 GLY N N 121 104.130 104.130 106.328 -2.198 19974 8994 1 11 . 1 1 121 121 GLY C C 121 174.930 174.930 176.458 -1.528 19974 8995 1 11 . 1 1 121 121 GLY CA C 121 47.590 47.590 47.000 0.590 19974 8996 1 11 . 1 1 121 121 GLY H H 121 8.606 8.606 8.480 0.126 19974 8997 1 11 . 1 1 122 122 MET N N 122 117.000 117.000 120.825 -3.825 19974 8998 1 11 . 1 1 122 122 MET HA H 122 4.183 4.183 4.116 0.067 19974 8999 1 11 . 1 1 122 122 MET C C 122 178.500 178.500 177.964 0.536 19974 9000 1 11 . 1 1 122 122 MET CA C 122 57.470 57.470 58.949 -1.479 19974 9001 1 11 . 1 1 122 122 MET CB C 122 32.200 32.200 32.734 -0.534 19974 9002 1 11 . 1 1 122 122 MET H H 122 7.284 7.284 8.126 -0.842 19974 9003 1 11 . 1 1 123 123 ALA N N 123 124.060 124.060 120.876 3.184 19974 9004 1 11 . 1 1 123 123 ALA HA H 123 4.076 4.076 4.327 -0.251 19974 9005 1 11 . 1 1 123 123 ALA C C 123 180.880 180.880 180.355 0.525 19974 9006 1 11 . 1 1 123 123 ALA CA C 123 54.760 54.760 54.581 0.179 19974 9007 1 11 . 1 1 123 123 ALA CB C 123 17.590 17.590 18.674 -1.084 19974 9008 1 11 . 1 1 123 123 ALA H H 123 8.308 8.308 7.924 0.384 19974 9009 1 11 . 1 1 124 124 LEU N N 124 117.060 117.060 120.370 -3.310 19974 9010 1 11 . 1 1 124 124 LEU HA H 124 4.270 4.270 4.291 -0.021 19974 9011 1 11 . 1 1 124 124 LEU C C 124 179.170 179.170 179.090 0.080 19974 9012 1 11 . 1 1 124 124 LEU CA C 124 57.840 57.840 58.115 -0.275 19974 9013 1 11 . 1 1 124 124 LEU CB C 124 42.920 42.920 41.807 1.113 19974 9014 1 11 . 1 1 124 124 LEU H H 124 8.871 8.871 8.905 -0.034 19974 9015 1 11 . 1 1 125 125 ALA N N 125 120.950 120.950 120.223 0.727 19974 9016 1 11 . 1 1 125 125 ALA HA H 125 3.956 3.956 4.495 -0.539 19974 9017 1 11 . 1 1 125 125 ALA C C 125 177.740 177.740 179.213 -1.473 19974 9018 1 11 . 1 1 125 125 ALA CA C 125 55.220 55.220 54.565 0.655 19974 9019 1 11 . 1 1 125 125 ALA CB C 125 19.180 19.180 18.470 0.710 19974 9020 1 11 . 1 1 125 125 ALA H H 125 7.829 7.829 8.176 -0.347 19974 9021 1 11 . 1 1 126 126 LYS N N 126 113.320 113.320 118.203 -4.883 19974 9022 1 11 . 1 1 126 126 LYS HA H 126 3.798 3.798 4.074 -0.277 19974 9023 1 11 . 1 1 126 126 LYS C C 126 176.550 176.550 178.043 -1.493 19974 9024 1 11 . 1 1 126 126 LYS CA C 126 58.490 58.490 58.685 -0.195 19974 9025 1 11 . 1 1 126 126 LYS CB C 126 32.620 32.620 32.533 0.087 19974 9026 1 11 . 1 1 126 126 LYS H H 126 6.971 6.971 7.906 -0.935 19974 9027 1 11 . 1 1 127 127 TYR N N 127 113.850 113.850 116.917 -3.067 19974 9028 1 11 . 1 1 127 127 TYR HA H 127 4.067 4.067 4.244 -0.177 19974 9029 1 11 . 1 1 127 127 TYR C C 127 174.390 174.390 176.021 -1.631 19974 9030 1 11 . 1 1 127 127 TYR CA C 127 58.770 58.770 60.194 -1.424 19974 9031 1 11 . 1 1 127 127 TYR CB C 127 41.930 41.930 39.472 2.458 19974 9032 1 11 . 1 1 127 127 TYR H H 127 6.817 6.817 7.852 -1.035 19974 9033 1 11 . 1 1 128 128 PHE N N 128 116.130 116.130 117.278 -1.148 19974 9034 1 11 . 1 1 128 128 PHE HA H 128 4.907 4.907 5.036 -0.129 19974 9035 1 11 . 1 1 128 128 PHE C C 128 172.450 172.450 173.755 -1.305 19974 9036 1 11 . 1 1 128 128 PHE CA C 128 55.003 55.003 54.903 0.100 19974 9037 1 11 . 1 1 128 128 PHE CB C 128 38.550 38.550 39.990 -1.440 19974 9038 1 11 . 1 1 128 128 PHE H H 128 8.688 8.688 8.481 0.207 19974 9039 1 11 . 1 1 129 129 PRO HA H 129 4.680 4.680 4.658 0.022 19974 9040 1 11 . 1 1 129 129 PRO C C 129 175.720 175.720 176.663 -0.943 19974 9041 1 11 . 1 1 129 129 PRO CA C 129 63.382 63.382 62.590 0.791 19974 9042 1 11 . 1 1 129 129 PRO CB C 129 31.810 31.810 32.195 -0.385 19974 9043 1 11 . 1 1 130 130 TRP N N 130 123.170 123.170 128.340 -5.170 19974 9044 1 11 . 1 1 130 130 TRP HA H 130 4.031 4.031 4.644 -0.613 19974 9045 1 11 . 1 1 130 130 TRP C C 130 175.310 175.310 175.697 -0.387 19974 9046 1 11 . 1 1 130 130 TRP CA C 130 59.510 59.510 58.789 0.721 19974 9047 1 11 . 1 1 130 130 TRP CB C 130 29.300 29.300 30.289 -0.989 19974 9048 1 11 . 1 1 130 130 TRP H H 130 7.910 7.910 8.543 -0.633 19974 9049 1 11 . 1 1 131 131 LYS N N 131 127.060 127.060 126.384 0.676 19974 9050 1 11 . 1 1 131 131 LYS HA H 131 4.260 4.260 4.388 -0.128 19974 9051 1 11 . 1 1 131 131 LYS C C 131 174.450 174.450 176.807 -2.357 19974 9052 1 11 . 1 1 131 131 LYS CA C 131 53.240 53.240 54.461 -1.221 19974 9053 1 11 . 1 1 131 131 LYS CB C 131 35.250 35.250 34.055 1.195 19974 9054 1 11 . 1 1 131 131 LYS H H 131 8.097 8.097 8.577 -0.480 19974 9055 1 11 . 1 1 132 132 LYS N N 132 116.250 116.250 122.308 -6.058 19974 9056 1 11 . 1 1 132 132 LYS HA H 132 3.398 3.398 3.543 -0.145 19974 9057 1 11 . 1 1 132 132 LYS C C 132 176.550 176.550 176.530 0.020 19974 9058 1 11 . 1 1 132 132 LYS CA C 132 58.140 58.140 58.297 -0.158 19974 9059 1 11 . 1 1 132 132 LYS CB C 132 31.880 31.880 32.195 -0.315 19974 9060 1 11 . 1 1 132 132 LYS H H 132 7.761 7.761 8.638 -0.877 19974 9061 1 11 . 1 1 133 133 ASP N N 133 116.600 116.600 117.802 -1.202 19974 9062 1 11 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.651 -0.300 19974 9063 1 11 . 1 1 133 133 ASP C C 133 175.320 175.320 175.729 -0.409 19974 9064 1 11 . 1 1 133 133 ASP CA C 133 52.520 52.520 53.502 -0.982 19974 9065 1 11 . 1 1 133 133 ASP CB C 133 38.720 38.720 40.193 -1.473 19974 9066 1 11 . 1 1 133 133 ASP H H 133 7.633 7.633 7.796 -0.163 19974 9067 1 11 . 1 1 134 134 ASP N N 134 119.140 119.140 120.678 -1.538 19974 9068 1 11 . 1 1 134 134 ASP HA H 134 3.989 3.989 4.456 -0.467 19974 9069 1 11 . 1 1 134 134 ASP C C 134 175.500 175.500 176.718 -1.218 19974 9070 1 11 . 1 1 134 134 ASP CA C 134 56.410 56.410 54.733 1.677 19974 9071 1 11 . 1 1 134 134 ASP CB C 134 42.740 42.740 42.020 0.720 19974 9072 1 11 . 1 1 134 134 ASP H H 134 7.251 7.251 7.302 -0.051 19974 9073 1 11 . 1 1 135 135 ILE N N 135 123.230 123.230 119.717 3.513 19974 9074 1 11 . 1 1 135 135 ILE HA H 135 4.301 4.301 4.457 -0.156 19974 9075 1 11 . 1 1 135 135 ILE C C 135 176.300 176.300 174.701 1.599 19974 9076 1 11 . 1 1 135 135 ILE CA C 135 58.640 58.640 59.558 -0.918 19974 9077 1 11 . 1 1 135 135 ILE CB C 135 40.800 40.800 39.318 1.482 19974 9078 1 11 . 1 1 135 135 ILE H H 135 8.351 8.351 8.161 0.190 19974 9079 1 11 . 1 1 136 136 ASP N N 136 131.670 131.670 128.575 3.095 19974 9080 1 11 . 1 1 136 136 ASP HA H 136 5.640 5.640 4.854 0.786 19974 9081 1 11 . 1 1 136 136 ASP C C 136 176.150 176.150 176.246 -0.096 19974 9082 1 11 . 1 1 136 136 ASP CA C 136 52.560 52.560 53.795 -1.235 19974 9083 1 11 . 1 1 136 136 ASP CB C 136 38.180 38.180 41.147 -2.967 19974 9084 1 11 . 1 1 136 136 ASP H H 136 9.036 9.036 8.666 0.370 19974 9085 1 11 . 1 1 137 137 GLU N N 137 125.270 125.270 123.713 1.557 19974 9086 1 11 . 1 1 137 137 GLU HA H 137 3.735 3.735 4.326 -0.591 19974 9087 1 11 . 1 1 137 137 GLU C C 137 176.110 176.110 176.364 -0.254 19974 9088 1 11 . 1 1 137 137 GLU CA C 137 59.490 59.490 57.326 2.164 19974 9089 1 11 . 1 1 137 137 GLU CB C 137 32.880 32.880 30.257 2.623 19974 9090 1 11 . 1 1 137 137 GLU H H 137 8.435 8.435 8.747 -0.312 19974 9091 1 11 . 1 1 138 138 LEU N N 138 117.210 117.210 120.453 -3.243 19974 9092 1 11 . 1 1 138 138 LEU HA H 138 4.960 4.960 4.746 0.214 19974 9093 1 11 . 1 1 138 138 LEU C C 138 173.560 173.560 174.586 -1.026 19974 9094 1 11 . 1 1 138 138 LEU CA C 138 50.310 50.310 51.719 -1.409 19974 9095 1 11 . 1 1 138 138 LEU CB C 138 41.350 41.350 42.887 -1.537 19974 9096 1 11 . 1 1 138 138 LEU H H 138 8.308 8.308 7.553 0.755 19974 9097 1 11 . 1 1 139 139 PRO HA H 139 4.335 4.335 4.544 -0.209 19974 9098 1 11 . 1 1 139 139 PRO C C 139 177.700 177.700 176.626 1.074 19974 9099 1 11 . 1 1 139 139 PRO CA C 139 62.550 62.550 62.134 0.416 19974 9100 1 11 . 1 1 139 139 PRO CB C 139 32.520 32.520 32.375 0.145 19974 9101 1 11 . 1 1 140 140 ASN N N 140 120.930 120.930 118.700 2.230 19974 9102 1 11 . 1 1 140 140 ASN HA H 140 4.730 4.730 4.716 0.014 19974 9103 1 11 . 1 1 140 140 ASN C C 140 174.460 174.460 175.074 -0.614 19974 9104 1 11 . 1 1 140 140 ASN CA C 140 52.790 52.790 53.912 -1.122 19974 9105 1 11 . 1 1 140 140 ASN CB C 140 38.520 38.520 38.587 -0.067 19974 9106 1 11 . 1 1 140 140 ASN H H 140 9.213 9.213 8.689 0.524 19974 9107 1 11 . 1 1 141 141 THR N N 141 107.730 107.730 111.564 -3.834 19974 9108 1 11 . 1 1 141 141 THR HA H 141 3.853 3.853 4.452 -0.599 19974 9109 1 11 . 1 1 141 141 THR C C 141 176.410 176.410 174.393 2.017 19974 9110 1 11 . 1 1 141 141 THR CA C 141 61.560 61.560 60.942 0.618 19974 9111 1 11 . 1 1 141 141 THR CB C 141 69.450 69.450 70.505 -1.055 19974 9112 1 11 . 1 1 141 141 THR H H 141 7.003 7.003 7.125 -0.122 19974 9113 1 11 . 1 1 142 142 ILE N N 142 129.530 129.530 121.658 7.872 19974 9114 1 11 . 1 1 142 142 ILE HA H 142 3.976 3.976 4.040 -0.064 19974 9115 1 11 . 1 1 142 142 ILE C C 142 176.020 176.020 176.028 -0.008 19974 9116 1 11 . 1 1 142 142 ILE CA C 142 62.150 62.150 61.057 1.093 19974 9117 1 11 . 1 1 142 142 ILE CB C 142 37.890 37.890 38.744 -0.854 19974 9118 1 11 . 1 1 142 142 ILE H H 142 9.030 9.030 8.265 0.765 19974 9119 1 11 . 1 1 143 143 SER N N 143 124.630 124.630 123.233 1.397 19974 9120 1 11 . 1 1 143 143 SER HA H 143 4.481 4.481 4.776 -0.295 19974 9121 1 11 . 1 1 143 143 SER C C 143 172.920 172.920 173.156 -0.236 19974 9122 1 11 . 1 1 143 143 SER CA C 143 57.120 57.120 58.173 -1.054 19974 9123 1 11 . 1 1 143 143 SER CB C 143 60.710 60.710 64.406 -3.696 19974 9124 1 11 . 1 1 143 143 SER H H 143 8.709 8.709 8.645 0.064 19974 9125 1 11 . 1 1 144 144 LYS N N 144 126.170 126.170 122.277 3.893 19974 9126 1 11 . 1 1 144 144 LYS HA H 144 4.954 4.954 4.967 -0.013 19974 9127 1 11 . 1 1 144 144 LYS C C 144 175.910 175.910 175.667 0.243 19974 9128 1 11 . 1 1 144 144 LYS CA C 144 54.580 54.580 55.000 -0.420 19974 9129 1 11 . 1 1 144 144 LYS CB C 144 35.170 35.170 37.213 -2.043 19974 9130 1 11 . 1 1 144 144 LYS H H 144 8.043 8.043 8.486 -0.443 19974 9131 1 12 . 1 1 3 3 LYS HA H 3 4.317 4.317 4.125 0.192 19974 9132 1 12 . 1 1 3 3 LYS C C 3 176.840 176.840 176.068 0.772 19974 9133 1 12 . 1 1 3 3 LYS CA C 3 56.180 56.180 57.902 -1.722 19974 9134 1 12 . 1 1 3 3 LYS CB C 3 33.030 33.030 32.677 0.353 19974 9135 1 12 . 1 1 4 4 ILE N N 4 122.990 122.990 118.426 4.564 19974 9136 1 12 . 1 1 4 4 ILE HA H 4 3.919 3.919 4.306 -0.387 19974 9137 1 12 . 1 1 4 4 ILE C C 4 176.120 176.120 175.654 0.466 19974 9138 1 12 . 1 1 4 4 ILE CA C 4 61.530 61.530 60.566 0.964 19974 9139 1 12 . 1 1 4 4 ILE CB C 4 38.040 38.040 40.253 -2.213 19974 9140 1 12 . 1 1 4 4 ILE H H 4 8.391 8.391 7.879 0.512 19974 9141 1 12 . 1 1 5 5 GLU N N 5 123.430 123.430 124.942 -1.512 19974 9142 1 12 . 1 1 5 5 GLU HA H 5 4.116 4.116 4.473 -0.357 19974 9143 1 12 . 1 1 5 5 GLU C C 5 175.830 175.830 176.465 -0.635 19974 9144 1 12 . 1 1 5 5 GLU CA C 5 56.900 56.900 57.370 -0.470 19974 9145 1 12 . 1 1 5 5 GLU CB C 5 29.350 29.350 31.148 -1.798 19974 9146 1 12 . 1 1 5 5 GLU H H 5 8.508 8.508 8.720 -0.212 19974 9147 1 12 . 1 1 6 6 GLU N N 6 119.490 119.490 119.679 -0.189 19974 9148 1 12 . 1 1 6 6 GLU HA H 6 4.128 4.128 4.535 -0.407 19974 9149 1 12 . 1 1 6 6 GLU C C 6 176.270 176.270 175.568 0.702 19974 9150 1 12 . 1 1 6 6 GLU CA C 6 55.700 55.700 55.799 -0.099 19974 9151 1 12 . 1 1 6 6 GLU CB C 6 30.190 30.190 30.209 -0.019 19974 9152 1 12 . 1 1 6 6 GLU H H 6 7.843 7.843 8.235 -0.392 19974 9153 1 12 . 1 1 7 7 PHE N N 7 121.090 121.090 122.876 -1.786 19974 9154 1 12 . 1 1 7 7 PHE HA H 7 4.284 4.284 4.470 -0.186 19974 9155 1 12 . 1 1 7 7 PHE C C 7 174.810 174.810 175.636 -0.826 19974 9156 1 12 . 1 1 7 7 PHE CA C 7 59.660 59.660 59.028 0.632 19974 9157 1 12 . 1 1 7 7 PHE CB C 7 39.990 39.990 40.053 -0.063 19974 9158 1 12 . 1 1 7 7 PHE H H 7 8.092 8.092 8.684 -0.592 19974 9159 1 12 . 1 1 8 8 LEU N N 8 116.700 116.700 118.555 -1.855 19974 9160 1 12 . 1 1 8 8 LEU HA H 8 4.792 4.792 4.655 0.137 19974 9161 1 12 . 1 1 8 8 LEU C C 8 176.940 176.940 176.261 0.679 19974 9162 1 12 . 1 1 8 8 LEU CA C 8 52.730 52.730 53.427 -0.697 19974 9163 1 12 . 1 1 8 8 LEU CB C 8 45.650 45.650 44.914 0.736 19974 9164 1 12 . 1 1 8 8 LEU H H 8 7.721 7.721 7.472 0.249 19974 9165 1 12 . 1 1 9 9 THR N N 9 113.700 113.700 116.819 -3.119 19974 9166 1 12 . 1 1 9 9 THR HA H 9 4.397 4.397 4.277 0.120 19974 9167 1 12 . 1 1 9 9 THR C C 9 175.410 175.410 175.798 -0.388 19974 9168 1 12 . 1 1 9 9 THR CA C 9 60.650 60.650 61.430 -0.780 19974 9169 1 12 . 1 1 9 9 THR CB C 9 70.800 70.800 70.398 0.402 19974 9170 1 12 . 1 1 9 9 THR H H 9 9.224 9.224 8.457 0.767 19974 9171 1 12 . 1 1 10 10 ALA N N 10 123.350 123.350 129.654 -6.304 19974 9172 1 12 . 1 1 10 10 ALA HA H 10 4.036 4.036 4.253 -0.217 19974 9173 1 12 . 1 1 10 10 ALA C C 10 181.050 181.050 179.158 1.892 19974 9174 1 12 . 1 1 10 10 ALA CA C 10 55.500 55.500 54.648 0.852 19974 9175 1 12 . 1 1 10 10 ALA CB C 10 17.914 17.914 18.862 -0.948 19974 9176 1 12 . 1 1 10 10 ALA H H 10 8.881 8.881 8.934 -0.053 19974 9177 1 12 . 1 1 11 11 GLU N N 11 117.680 117.680 118.453 -0.773 19974 9178 1 12 . 1 1 11 11 GLU HA H 11 3.949 3.949 3.987 -0.038 19974 9179 1 12 . 1 1 11 11 GLU C C 11 179.500 179.500 179.063 0.437 19974 9180 1 12 . 1 1 11 11 GLU CA C 11 59.490 59.490 59.441 0.049 19974 9181 1 12 . 1 1 11 11 GLU CB C 11 29.120 29.120 29.499 -0.379 19974 9182 1 12 . 1 1 11 11 GLU H H 11 8.460 8.460 7.821 0.639 19974 9183 1 12 . 1 1 12 12 GLU N N 12 121.860 121.860 119.771 2.089 19974 9184 1 12 . 1 1 12 12 GLU HA H 12 3.818 3.818 4.087 -0.269 19974 9185 1 12 . 1 1 12 12 GLU C C 12 178.130 178.130 179.119 -0.989 19974 9186 1 12 . 1 1 12 12 GLU CA C 12 59.210 59.210 59.216 -0.006 19974 9187 1 12 . 1 1 12 12 GLU CB C 12 30.800 30.800 29.710 1.090 19974 9188 1 12 . 1 1 12 12 GLU H H 12 7.698 7.698 7.998 -0.300 19974 9189 1 12 . 1 1 13 13 GLU N N 13 118.170 118.170 119.236 -1.066 19974 9190 1 12 . 1 1 13 13 GLU HA H 13 3.640 3.640 4.033 -0.393 19974 9191 1 12 . 1 1 13 13 GLU C C 13 178.070 178.070 178.666 -0.596 19974 9192 1 12 . 1 1 13 13 GLU CA C 13 60.539 60.539 59.214 1.325 19974 9193 1 12 . 1 1 13 13 GLU CB C 13 29.130 29.130 29.525 -0.395 19974 9194 1 12 . 1 1 13 13 GLU H H 13 8.493 8.493 8.233 0.260 19974 9195 1 12 . 1 1 14 14 LYS N N 14 117.980 117.980 120.164 -2.184 19974 9196 1 12 . 1 1 14 14 LYS HA H 14 3.887 3.887 4.015 -0.128 19974 9197 1 12 . 1 1 14 14 LYS C C 14 177.420 177.420 178.573 -1.153 19974 9198 1 12 . 1 1 14 14 LYS CA C 14 59.350 59.350 59.463 -0.113 19974 9199 1 12 . 1 1 14 14 LYS CB C 14 32.200 32.200 32.397 -0.197 19974 9200 1 12 . 1 1 14 14 LYS H H 14 7.650 7.650 7.931 -0.281 19974 9201 1 12 . 1 1 15 15 ALA N N 15 119.210 119.210 121.187 -1.977 19974 9202 1 12 . 1 1 15 15 ALA HA H 15 4.098 4.098 4.128 -0.030 19974 9203 1 12 . 1 1 15 15 ALA C C 15 180.550 180.550 179.719 0.831 19974 9204 1 12 . 1 1 15 15 ALA CA C 15 54.600 54.600 54.749 -0.149 19974 9205 1 12 . 1 1 15 15 ALA CB C 15 17.790 17.790 18.456 -0.666 19974 9206 1 12 . 1 1 15 15 ALA H H 15 7.362 7.362 7.478 -0.116 19974 9207 1 12 . 1 1 16 16 ILE N N 16 119.990 119.990 119.482 0.508 19974 9208 1 12 . 1 1 16 16 ILE HA H 16 3.493 3.493 3.683 -0.190 19974 9209 1 12 . 1 1 16 16 ILE C C 16 176.510 176.510 177.484 -0.974 19974 9210 1 12 . 1 1 16 16 ILE CA C 16 65.072 65.072 64.285 0.787 19974 9211 1 12 . 1 1 16 16 ILE CB C 16 37.580 37.580 38.360 -0.780 19974 9212 1 12 . 1 1 16 16 ILE H H 16 7.592 7.592 7.436 0.156 19974 9213 1 12 . 1 1 17 17 VAL N N 17 121.520 121.520 121.319 0.201 19974 9214 1 12 . 1 1 17 17 VAL HA H 17 3.504 3.504 3.548 -0.044 19974 9215 1 12 . 1 1 17 17 VAL C C 17 178.620 178.620 178.110 0.510 19974 9216 1 12 . 1 1 17 17 VAL CA C 17 67.324 67.324 66.819 0.505 19974 9217 1 12 . 1 1 17 17 VAL CB C 17 31.350 31.350 31.633 -0.283 19974 9218 1 12 . 1 1 17 17 VAL H H 17 8.155 8.155 8.101 0.054 19974 9219 1 12 . 1 1 18 18 ASP N N 18 120.000 120.000 119.354 0.646 19974 9220 1 12 . 1 1 18 18 ASP HA H 18 4.223 4.223 4.433 -0.210 19974 9221 1 12 . 1 1 18 18 ASP C C 18 177.980 177.980 177.999 -0.019 19974 9222 1 12 . 1 1 18 18 ASP CA C 18 57.050 57.050 57.270 -0.220 19974 9223 1 12 . 1 1 18 18 ASP CB C 18 39.410 39.410 40.238 -0.828 19974 9224 1 12 . 1 1 18 18 ASP H H 18 8.605 8.605 8.151 0.454 19974 9225 1 12 . 1 1 19 19 ALA N N 19 122.620 122.620 122.275 0.345 19974 9226 1 12 . 1 1 19 19 ALA HA H 19 4.194 4.194 4.144 0.050 19974 9227 1 12 . 1 1 19 19 ALA C C 19 180.720 180.720 179.648 1.072 19974 9228 1 12 . 1 1 19 19 ALA CA C 19 54.970 54.970 54.663 0.307 19974 9229 1 12 . 1 1 19 19 ALA CB C 19 17.850 17.850 18.441 -0.591 19974 9230 1 12 . 1 1 19 19 ALA H H 19 7.702 7.702 7.197 0.505 19974 9231 1 12 . 1 1 20 20 ILE N N 20 122.620 122.620 118.646 3.974 19974 9232 1 12 . 1 1 20 20 ILE HA H 20 3.309 3.309 3.580 -0.271 19974 9233 1 12 . 1 1 20 20 ILE C C 20 176.740 176.740 177.977 -1.237 19974 9234 1 12 . 1 1 20 20 ILE CA C 20 66.830 66.830 65.211 1.619 19974 9235 1 12 . 1 1 20 20 ILE CB C 20 38.140 38.140 37.678 0.462 19974 9236 1 12 . 1 1 20 20 ILE H H 20 8.234 8.234 7.751 0.483 19974 9237 1 12 . 1 1 21 21 ARG N N 21 119.660 119.660 117.994 1.666 19974 9238 1 12 . 1 1 21 21 ARG HA H 21 3.899 3.899 4.151 -0.252 19974 9239 1 12 . 1 1 21 21 ARG C C 21 179.540 179.540 177.570 1.970 19974 9240 1 12 . 1 1 21 21 ARG CA C 21 58.990 58.990 58.931 0.059 19974 9241 1 12 . 1 1 21 21 ARG CB C 21 29.020 29.020 30.013 -0.993 19974 9242 1 12 . 1 1 21 21 ARG H H 21 8.212 8.212 7.553 0.659 19974 9243 1 12 . 1 1 22 22 ASP N N 22 118.640 118.640 117.119 1.521 19974 9244 1 12 . 1 1 22 22 ASP HA H 22 4.239 4.239 4.569 -0.330 19974 9245 1 12 . 1 1 22 22 ASP C C 22 179.190 179.190 177.494 1.696 19974 9246 1 12 . 1 1 22 22 ASP CA C 22 57.270 57.270 56.086 1.184 19974 9247 1 12 . 1 1 22 22 ASP CB C 22 39.770 39.770 41.256 -1.486 19974 9248 1 12 . 1 1 22 22 ASP H H 22 8.137 8.137 7.675 0.462 19974 9249 1 12 . 1 1 23 23 ALA N N 23 126.120 126.120 123.402 2.718 19974 9250 1 12 . 1 1 23 23 ALA HA H 23 4.207 4.207 4.055 0.152 19974 9251 1 12 . 1 1 23 23 ALA C C 23 181.060 181.060 179.485 1.575 19974 9252 1 12 . 1 1 23 23 ALA CA C 23 55.430 55.430 54.867 0.563 19974 9253 1 12 . 1 1 23 23 ALA CB C 23 18.690 18.690 18.591 0.099 19974 9254 1 12 . 1 1 23 23 ALA H H 23 8.500 8.500 7.618 0.882 19974 9255 1 12 . 1 1 24 24 GLU N N 24 115.460 115.460 117.134 -1.674 19974 9256 1 12 . 1 1 24 24 GLU HA H 24 4.213 4.213 4.158 0.055 19974 9257 1 12 . 1 1 24 24 GLU C C 24 176.390 176.390 177.511 -1.121 19974 9258 1 12 . 1 1 24 24 GLU CA C 24 58.180 58.180 58.331 -0.151 19974 9259 1 12 . 1 1 24 24 GLU CB C 24 28.200 28.200 29.623 -1.423 19974 9260 1 12 . 1 1 24 24 GLU H H 24 8.451 8.451 7.906 0.545 19974 9261 1 12 . 1 1 25 25 LYS N N 25 115.790 115.790 115.928 -0.138 19974 9262 1 12 . 1 1 25 25 LYS HA H 25 3.739 3.739 3.971 -0.232 19974 9263 1 12 . 1 1 25 25 LYS C C 25 176.020 176.020 175.987 0.033 19974 9264 1 12 . 1 1 25 25 LYS CA C 25 56.220 56.220 57.098 -0.878 19974 9265 1 12 . 1 1 25 25 LYS CB C 25 32.070 32.070 32.199 -0.129 19974 9266 1 12 . 1 1 25 25 LYS H H 25 7.083 7.083 7.349 -0.266 19974 9267 1 12 . 1 1 26 26 ASN N N 26 115.060 115.060 116.104 -1.044 19974 9268 1 12 . 1 1 26 26 ASN HA H 26 4.749 4.749 4.799 -0.050 19974 9269 1 12 . 1 1 26 26 ASN C C 26 174.280 174.280 174.170 0.110 19974 9270 1 12 . 1 1 26 26 ASN CA C 26 53.050 53.050 53.821 -0.771 19974 9271 1 12 . 1 1 26 26 ASN CB C 26 40.410 40.410 42.032 -1.622 19974 9272 1 12 . 1 1 26 26 ASN H H 26 7.931 7.931 7.961 -0.030 19974 9273 1 12 . 1 1 27 27 THR N N 27 113.430 113.430 114.485 -1.055 19974 9274 1 12 . 1 1 27 27 THR HA H 27 5.507 5.507 5.082 0.425 19974 9275 1 12 . 1 1 27 27 THR C C 27 170.850 170.850 173.253 -2.403 19974 9276 1 12 . 1 1 27 27 THR CA C 27 57.130 57.130 60.570 -3.440 19974 9277 1 12 . 1 1 27 27 THR CB C 27 70.200 70.200 70.420 -0.220 19974 9278 1 12 . 1 1 27 27 THR H H 27 7.619 7.619 8.045 -0.426 19974 9279 1 12 . 1 1 28 28 SER N N 28 119.450 119.450 122.273 -2.823 19974 9280 1 12 . 1 1 28 28 SER HA H 28 4.773 4.773 4.766 0.007 19974 9281 1 12 . 1 1 28 28 SER C C 28 176.330 176.330 173.938 2.392 19974 9282 1 12 . 1 1 28 28 SER CA C 28 58.913 58.913 59.110 -0.197 19974 9283 1 12 . 1 1 28 28 SER CB C 28 64.360 64.360 63.166 1.194 19974 9284 1 12 . 1 1 28 28 SER H H 28 7.706 7.706 8.381 -0.675 19974 9285 1 12 . 1 1 29 29 GLY N N 29 111.350 111.350 107.775 3.575 19974 9286 1 12 . 1 1 29 29 GLY C C 29 171.210 171.210 172.368 -1.158 19974 9287 1 12 . 1 1 29 29 GLY CA C 29 44.643 44.643 43.839 0.804 19974 9288 1 12 . 1 1 29 29 GLY H H 29 9.011 9.011 7.670 1.341 19974 9289 1 12 . 1 1 30 30 GLU N N 30 120.620 120.620 118.424 2.196 19974 9290 1 12 . 1 1 30 30 GLU HA H 30 4.867 4.867 4.817 0.050 19974 9291 1 12 . 1 1 30 30 GLU C C 30 174.500 174.500 175.188 -0.688 19974 9292 1 12 . 1 1 30 30 GLU CA C 30 54.320 54.320 55.514 -1.194 19974 9293 1 12 . 1 1 30 30 GLU CB C 30 34.030 34.030 33.555 0.475 19974 9294 1 12 . 1 1 30 30 GLU H H 30 6.897 6.897 8.164 -1.267 19974 9295 1 12 . 1 1 31 31 ILE N N 31 121.650 121.650 123.589 -1.939 19974 9296 1 12 . 1 1 31 31 ILE HA H 31 5.171 5.171 4.952 0.219 19974 9297 1 12 . 1 1 31 31 ILE C C 31 175.550 175.550 174.880 0.670 19974 9298 1 12 . 1 1 31 31 ILE CA C 31 59.740 59.740 60.075 -0.335 19974 9299 1 12 . 1 1 31 31 ILE CB C 31 42.520 42.520 41.318 1.202 19974 9300 1 12 . 1 1 31 31 ILE H H 31 8.546 8.546 8.694 -0.148 19974 9301 1 12 . 1 1 32 32 ARG N N 32 121.690 121.690 123.577 -1.887 19974 9302 1 12 . 1 1 32 32 ARG HA H 32 4.951 4.951 4.780 0.171 19974 9303 1 12 . 1 1 32 32 ARG C C 32 173.740 173.740 173.500 0.240 19974 9304 1 12 . 1 1 32 32 ARG CA C 32 55.220 55.220 54.733 0.487 19974 9305 1 12 . 1 1 32 32 ARG CB C 32 34.720 34.720 35.195 -0.475 19974 9306 1 12 . 1 1 32 32 ARG H H 32 8.751 8.751 8.870 -0.119 19974 9307 1 12 . 1 1 33 33 VAL N N 33 120.770 120.770 123.467 -2.697 19974 9308 1 12 . 1 1 33 33 VAL HA H 33 4.972 4.972 4.627 0.345 19974 9309 1 12 . 1 1 33 33 VAL C C 33 173.790 173.790 173.358 0.432 19974 9310 1 12 . 1 1 33 33 VAL CA C 33 59.700 59.700 60.106 -0.406 19974 9311 1 12 . 1 1 33 33 VAL CB C 33 34.820 34.820 34.535 0.285 19974 9312 1 12 . 1 1 33 33 VAL H H 33 8.617 8.617 8.894 -0.277 19974 9313 1 12 . 1 1 34 34 HIS N N 34 125.000 125.000 128.274 -3.274 19974 9314 1 12 . 1 1 34 34 HIS HA H 34 5.743 5.743 5.097 0.646 19974 9315 1 12 . 1 1 34 34 HIS C C 34 172.790 172.790 172.863 -0.073 19974 9316 1 12 . 1 1 34 34 HIS CA C 34 54.370 54.370 53.972 0.397 19974 9317 1 12 . 1 1 34 34 HIS CB C 34 36.840 36.840 32.356 4.484 19974 9318 1 12 . 1 1 34 34 HIS H H 34 8.552 8.552 9.165 -0.613 19974 9319 1 12 . 1 1 35 35 LEU N N 35 124.400 124.400 128.366 -3.966 19974 9320 1 12 . 1 1 35 35 LEU HA H 35 4.800 4.800 4.782 0.018 19974 9321 1 12 . 1 1 35 35 LEU C C 35 174.490 174.490 174.161 0.329 19974 9322 1 12 . 1 1 35 35 LEU CA C 35 52.190 52.190 53.867 -1.677 19974 9323 1 12 . 1 1 35 35 LEU CB C 35 44.880 44.880 45.009 -0.129 19974 9324 1 12 . 1 1 35 35 LEU H H 35 8.006 8.006 8.314 -0.308 19974 9325 1 12 . 1 1 36 36 GLU N N 36 116.112 116.112 124.123 -8.011 19974 9326 1 12 . 1 1 36 36 GLU HA H 36 4.573 4.573 4.516 0.057 19974 9327 1 12 . 1 1 36 36 GLU C C 36 174.350 174.350 175.208 -0.858 19974 9328 1 12 . 1 1 36 36 GLU CA C 36 54.130 54.130 55.096 -0.966 19974 9329 1 12 . 1 1 36 36 GLU CB C 36 31.960 31.960 33.357 -1.397 19974 9330 1 12 . 1 1 36 36 GLU H H 36 8.235 8.235 8.592 -0.357 19974 9331 1 12 . 1 1 37 37 LYS N N 37 121.210 121.210 120.204 1.006 19974 9332 1 12 . 1 1 37 37 LYS HA H 37 3.731 3.731 4.084 -0.353 19974 9333 1 12 . 1 1 37 37 LYS C C 37 175.200 175.200 175.980 -0.780 19974 9334 1 12 . 1 1 37 37 LYS CA C 37 61.410 61.410 58.998 2.412 19974 9335 1 12 . 1 1 37 37 LYS CB C 37 33.090 33.090 33.131 -0.041 19974 9336 1 12 . 1 1 37 37 LYS H H 37 9.055 9.055 8.583 0.472 19974 9337 1 12 . 1 1 38 38 THR N N 38 107.310 107.310 110.316 -3.006 19974 9338 1 12 . 1 1 38 38 THR HA H 38 4.448 4.448 4.590 -0.142 19974 9339 1 12 . 1 1 38 38 THR C C 38 171.420 171.420 173.712 -2.292 19974 9340 1 12 . 1 1 38 38 THR CA C 38 59.530 59.530 60.284 -0.754 19974 9341 1 12 . 1 1 38 38 THR CB C 38 69.570 69.570 70.760 -1.190 19974 9342 1 12 . 1 1 38 38 THR H H 38 7.480 7.480 7.712 -0.232 19974 9343 1 12 . 1 1 39 39 SER N N 39 116.050 116.050 119.605 -3.555 19974 9344 1 12 . 1 1 39 39 SER HA H 39 4.641 4.641 4.653 -0.012 19974 9345 1 12 . 1 1 39 39 SER C C 39 175.590 175.590 174.926 0.664 19974 9346 1 12 . 1 1 39 39 SER CA C 39 57.340 57.340 58.196 -0.856 19974 9347 1 12 . 1 1 39 39 SER CB C 39 64.560 64.560 63.935 0.625 19974 9348 1 12 . 1 1 39 39 SER H H 39 8.177 8.177 8.411 -0.234 19974 9349 1 12 . 1 1 40 40 GLU N N 40 124.630 124.630 120.515 4.115 19974 9350 1 12 . 1 1 40 40 GLU HA H 40 4.118 4.118 4.444 -0.326 19974 9351 1 12 . 1 1 40 40 GLU C C 40 176.520 176.520 176.349 0.171 19974 9352 1 12 . 1 1 40 40 GLU CA C 40 58.100 58.100 57.162 0.938 19974 9353 1 12 . 1 1 40 40 GLU CB C 40 29.950 29.950 30.208 -0.258 19974 9354 1 12 . 1 1 40 40 GLU H H 40 8.905 8.905 8.671 0.234 19974 9355 1 12 . 1 1 41 41 ILE N N 41 113.290 113.290 114.956 -1.666 19974 9356 1 12 . 1 1 41 41 ILE HA H 41 4.460 4.460 4.338 0.122 19974 9357 1 12 . 1 1 41 41 ILE C C 41 175.350 175.350 174.894 0.456 19974 9358 1 12 . 1 1 41 41 ILE CA C 41 59.490 59.490 59.190 0.300 19974 9359 1 12 . 1 1 41 41 ILE CB C 41 40.150 40.150 39.423 0.727 19974 9360 1 12 . 1 1 41 41 ILE H H 41 7.446 7.446 7.372 0.074 19974 9361 1 12 . 1 1 42 42 ASP N N 42 122.230 122.230 121.986 0.244 19974 9362 1 12 . 1 1 42 42 ASP HA H 42 4.280 4.280 4.784 -0.504 19974 9363 1 12 . 1 1 42 42 ASP C C 42 177.430 177.430 177.227 0.203 19974 9364 1 12 . 1 1 42 42 ASP CA C 42 55.360 55.360 54.124 1.236 19974 9365 1 12 . 1 1 42 42 ASP CB C 42 42.690 42.690 41.406 1.284 19974 9366 1 12 . 1 1 42 42 ASP H H 42 8.271 8.271 8.373 -0.102 19974 9367 1 12 . 1 1 43 43 VAL N N 43 122.150 122.150 125.008 -2.858 19974 9368 1 12 . 1 1 43 43 VAL HA H 43 3.569 3.569 3.437 0.132 19974 9369 1 12 . 1 1 43 43 VAL C C 43 175.780 175.780 177.737 -1.957 19974 9370 1 12 . 1 1 43 43 VAL CA C 43 65.420 65.420 65.902 -0.482 19974 9371 1 12 . 1 1 43 43 VAL CB C 43 31.300 31.300 32.141 -0.841 19974 9372 1 12 . 1 1 43 43 VAL H H 43 8.160 8.160 8.806 -0.646 19974 9373 1 12 . 1 1 44 44 PHE N N 44 121.770 121.770 120.261 1.509 19974 9374 1 12 . 1 1 44 44 PHE HA H 44 3.892 3.892 4.021 -0.129 19974 9375 1 12 . 1 1 44 44 PHE C C 44 177.140 177.140 176.580 0.560 19974 9376 1 12 . 1 1 44 44 PHE CA C 44 62.190 62.190 61.598 0.592 19974 9377 1 12 . 1 1 44 44 PHE CB C 44 38.350 38.350 38.523 -0.173 19974 9378 1 12 . 1 1 44 44 PHE H H 44 8.101 8.101 8.275 -0.174 19974 9379 1 12 . 1 1 45 45 ASP N N 45 119.540 119.540 118.877 0.663 19974 9380 1 12 . 1 1 45 45 ASP HA H 45 4.106 4.106 4.118 -0.012 19974 9381 1 12 . 1 1 45 45 ASP C C 45 178.380 178.380 178.333 0.047 19974 9382 1 12 . 1 1 45 45 ASP CA C 45 57.010 57.010 57.439 -0.429 19974 9383 1 12 . 1 1 45 45 ASP CB C 45 37.900 37.900 40.190 -2.290 19974 9384 1 12 . 1 1 45 45 ASP H H 45 7.317 7.317 7.828 -0.511 19974 9385 1 12 . 1 1 46 46 ARG N N 46 119.920 119.920 120.966 -1.046 19974 9386 1 12 . 1 1 46 46 ARG HA H 46 3.733 3.733 3.769 -0.036 19974 9387 1 12 . 1 1 46 46 ARG C C 46 176.750 176.750 178.049 -1.299 19974 9388 1 12 . 1 1 46 46 ARG CA C 46 57.136 57.136 59.337 -2.201 19974 9389 1 12 . 1 1 46 46 ARG CB C 46 28.590 28.590 30.130 -1.540 19974 9390 1 12 . 1 1 46 46 ARG H H 46 8.246 8.246 8.260 -0.014 19974 9391 1 12 . 1 1 47 47 ALA N N 47 120.910 120.910 121.046 -0.136 19974 9392 1 12 . 1 1 47 47 ALA HA H 47 3.048 3.048 3.769 -0.721 19974 9393 1 12 . 1 1 47 47 ALA C C 47 177.810 177.810 178.914 -1.104 19974 9394 1 12 . 1 1 47 47 ALA CA C 47 55.010 55.010 54.938 0.072 19974 9395 1 12 . 1 1 47 47 ALA CB C 47 17.400 17.400 18.136 -0.736 19974 9396 1 12 . 1 1 47 47 ALA H H 47 7.803 7.803 7.926 -0.123 19974 9397 1 12 . 1 1 48 48 MET N N 48 115.800 115.800 118.478 -2.678 19974 9398 1 12 . 1 1 48 48 MET HA H 48 2.568 2.568 3.371 -0.803 19974 9399 1 12 . 1 1 48 48 MET C C 48 177.790 177.790 177.362 0.428 19974 9400 1 12 . 1 1 48 48 MET CA C 48 58.910 58.910 58.776 0.134 19974 9401 1 12 . 1 1 48 48 MET CB C 48 32.750 32.750 32.165 0.585 19974 9402 1 12 . 1 1 48 48 MET H H 48 7.148 7.148 7.211 -0.063 19974 9403 1 12 . 1 1 49 49 ASP N N 49 121.130 121.130 120.142 0.988 19974 9404 1 12 . 1 1 49 49 ASP HA H 49 4.326 4.326 4.283 0.043 19974 9405 1 12 . 1 1 49 49 ASP C C 49 178.960 178.960 179.102 -0.142 19974 9406 1 12 . 1 1 49 49 ASP CA C 49 57.330 57.330 57.601 -0.271 19974 9407 1 12 . 1 1 49 49 ASP CB C 49 40.180 40.180 40.575 -0.395 19974 9408 1 12 . 1 1 49 49 ASP H H 49 7.656 7.656 8.009 -0.353 19974 9409 1 12 . 1 1 50 50 VAL N N 50 122.030 122.030 120.032 1.998 19974 9410 1 12 . 1 1 50 50 VAL HA H 50 3.150 3.150 3.548 -0.398 19974 9411 1 12 . 1 1 50 50 VAL C C 50 176.610 176.610 177.776 -1.166 19974 9412 1 12 . 1 1 50 50 VAL CA C 50 66.980 66.980 66.435 0.545 19974 9413 1 12 . 1 1 50 50 VAL CB C 50 30.450 30.450 31.674 -1.224 19974 9414 1 12 . 1 1 50 50 VAL H H 50 8.506 8.506 8.381 0.125 19974 9415 1 12 . 1 1 51 51 PHE N N 51 120.010 120.010 120.499 -0.489 19974 9416 1 12 . 1 1 51 51 PHE HA H 51 3.701 3.701 4.063 -0.362 19974 9417 1 12 . 1 1 51 51 PHE C C 51 176.990 176.990 177.219 -0.229 19974 9418 1 12 . 1 1 51 51 PHE CA C 51 61.610 61.610 61.951 -0.341 19974 9419 1 12 . 1 1 51 51 PHE CB C 51 39.350 39.350 39.164 0.186 19974 9420 1 12 . 1 1 51 51 PHE H H 51 8.236 8.236 7.815 0.421 19974 9421 1 12 . 1 1 52 52 HIS N N 52 114.400 114.400 117.137 -2.737 19974 9422 1 12 . 1 1 52 52 HIS HA H 52 4.322 4.322 4.507 -0.185 19974 9423 1 12 . 1 1 52 52 HIS C C 52 179.389 179.389 177.863 1.526 19974 9424 1 12 . 1 1 52 52 HIS CA C 52 59.670 59.670 58.945 0.725 19974 9425 1 12 . 1 1 52 52 HIS CB C 52 28.380 28.380 30.099 -1.719 19974 9426 1 12 . 1 1 52 52 HIS H H 52 7.595 7.595 8.381 -0.786 19974 9427 1 12 . 1 1 53 53 ASN N N 53 125.300 125.300 118.576 6.724 19974 9428 1 12 . 1 1 53 53 ASN HA H 53 4.346 4.346 4.590 -0.244 19974 9429 1 12 . 1 1 53 53 ASN C C 53 177.560 177.560 177.134 0.426 19974 9430 1 12 . 1 1 53 53 ASN CA C 53 56.260 56.260 55.294 0.966 19974 9431 1 12 . 1 1 53 53 ASN CB C 53 38.020 38.020 38.340 -0.320 19974 9432 1 12 . 1 1 53 53 ASN H H 53 9.216 9.216 8.633 0.583 19974 9433 1 12 . 1 1 54 54 LEU N N 54 117.070 117.070 118.028 -0.958 19974 9434 1 12 . 1 1 54 54 LEU HA H 54 4.114 4.114 4.253 -0.139 19974 9435 1 12 . 1 1 54 54 LEU C C 54 175.780 175.780 176.022 -0.242 19974 9436 1 12 . 1 1 54 54 LEU CA C 54 54.400 54.400 55.312 -0.912 19974 9437 1 12 . 1 1 54 54 LEU CB C 54 42.810 42.810 42.034 0.776 19974 9438 1 12 . 1 1 54 54 LEU H H 54 8.270 8.270 7.753 0.517 19974 9439 1 12 . 1 1 55 55 LYS N N 55 116.580 116.580 114.727 1.853 19974 9440 1 12 . 1 1 55 55 LYS HA H 55 3.954 3.954 4.030 -0.076 19974 9441 1 12 . 1 1 55 55 LYS C C 55 177.650 177.650 177.706 -0.056 19974 9442 1 12 . 1 1 55 55 LYS CA C 55 56.630 56.630 57.260 -0.630 19974 9443 1 12 . 1 1 55 55 LYS CB C 55 28.110 28.110 29.916 -1.806 19974 9444 1 12 . 1 1 55 55 LYS H H 55 7.953 7.953 7.331 0.622 19974 9445 1 12 . 1 1 56 56 MET N N 56 114.460 114.460 116.426 -1.966 19974 9446 1 12 . 1 1 56 56 MET HA H 56 3.624 3.624 3.996 -0.372 19974 9447 1 12 . 1 1 56 56 MET C C 56 174.010 174.010 176.670 -2.660 19974 9448 1 12 . 1 1 56 56 MET CA C 56 56.800 56.800 56.765 0.035 19974 9449 1 12 . 1 1 56 56 MET CB C 56 28.620 28.620 30.633 -2.013 19974 9450 1 12 . 1 1 56 56 MET H H 56 7.496 7.496 7.982 -0.486 19974 9451 1 12 . 1 1 57 57 ASP N N 57 113.610 113.610 115.757 -2.147 19974 9452 1 12 . 1 1 57 57 ASP HA H 57 4.490 4.490 5.040 -0.550 19974 9453 1 12 . 1 1 57 57 ASP C C 57 176.060 176.060 176.689 -0.629 19974 9454 1 12 . 1 1 57 57 ASP CA C 57 53.030 53.030 54.823 -1.793 19974 9455 1 12 . 1 1 57 57 ASP CB C 57 38.940 38.940 40.266 -1.325 19974 9456 1 12 . 1 1 57 57 ASP H H 57 8.921 8.921 8.261 0.660 19974 9457 1 12 . 1 1 58 58 ASN N N 58 119.880 119.880 120.514 -0.634 19974 9458 1 12 . 1 1 58 58 ASN HA H 58 4.885 4.885 4.705 0.180 19974 9459 1 12 . 1 1 58 58 ASN C C 58 174.060 174.060 174.427 -0.367 19974 9460 1 12 . 1 1 58 58 ASN CA C 58 52.190 52.190 52.959 -0.769 19974 9461 1 12 . 1 1 58 58 ASN CB C 58 37.230 37.230 37.460 -0.230 19974 9462 1 12 . 1 1 58 58 ASN H H 58 7.070 7.070 7.572 -0.502 19974 9463 1 12 . 1 1 59 59 THR N N 59 108.570 108.570 111.905 -3.335 19974 9464 1 12 . 1 1 59 59 THR HA H 59 4.449 4.449 4.647 -0.198 19974 9465 1 12 . 1 1 59 59 THR C C 59 175.810 175.810 174.569 1.241 19974 9466 1 12 . 1 1 59 59 THR CA C 59 59.600 59.600 59.742 -0.142 19974 9467 1 12 . 1 1 59 59 THR CB C 59 70.900 70.900 72.292 -1.392 19974 9468 1 12 . 1 1 59 59 THR H H 59 7.636 7.636 7.795 -0.159 19974 9469 1 12 . 1 1 60 60 LYS N N 60 126.400 126.400 124.503 1.897 19974 9470 1 12 . 1 1 60 60 LYS HA H 60 3.923 3.923 4.134 -0.211 19974 9471 1 12 . 1 1 60 60 LYS C C 60 179.030 179.030 177.130 1.900 19974 9472 1 12 . 1 1 60 60 LYS CA C 60 59.600 59.600 59.005 0.595 19974 9473 1 12 . 1 1 60 60 LYS CB C 60 32.480 32.480 32.660 -0.180 19974 9474 1 12 . 1 1 60 60 LYS H H 60 10.322 10.322 8.801 1.521 19974 9475 1 12 . 1 1 61 61 LEU N N 61 114.780 114.780 117.027 -2.247 19974 9476 1 12 . 1 1 61 61 LEU HA H 61 4.430 4.430 4.429 0.001 19974 9477 1 12 . 1 1 61 61 LEU C C 61 175.660 175.660 175.886 -0.226 19974 9478 1 12 . 1 1 61 61 LEU CA C 61 52.830 52.830 54.090 -1.260 19974 9479 1 12 . 1 1 61 61 LEU CB C 61 40.470 40.470 42.659 -2.189 19974 9480 1 12 . 1 1 61 61 LEU H H 61 8.555 8.555 7.928 0.627 19974 9481 1 12 . 1 1 62 62 GLN N N 62 116.490 116.490 114.431 2.059 19974 9482 1 12 . 1 1 62 62 GLN HA H 62 3.715 3.715 3.926 -0.211 19974 9483 1 12 . 1 1 62 62 GLN C C 62 175.060 175.060 174.756 0.304 19974 9484 1 12 . 1 1 62 62 GLN CA C 62 56.440 56.440 56.486 -0.046 19974 9485 1 12 . 1 1 62 62 GLN CB C 62 26.480 26.480 26.183 0.297 19974 9486 1 12 . 1 1 62 62 GLN H H 62 7.526 7.526 7.986 -0.460 19974 9487 1 12 . 1 1 63 63 ASN N N 63 114.760 114.760 115.046 -0.286 19974 9488 1 12 . 1 1 63 63 ASN HA H 63 4.352 4.352 4.891 -0.539 19974 9489 1 12 . 1 1 63 63 ASN C C 63 173.790 173.790 174.966 -1.176 19974 9490 1 12 . 1 1 63 63 ASN CA C 63 50.680 50.680 52.254 -1.574 19974 9491 1 12 . 1 1 63 63 ASN CB C 63 35.110 35.110 39.781 -4.671 19974 9492 1 12 . 1 1 63 63 ASN H H 63 8.243 8.243 7.848 0.395 19974 9493 1 12 . 1 1 64 64 GLY N N 64 105.820 105.820 108.503 -2.683 19974 9494 1 12 . 1 1 64 64 GLY C C 64 172.650 172.650 172.846 -0.196 19974 9495 1 12 . 1 1 64 64 GLY CA C 64 44.136 44.136 45.050 -0.914 19974 9496 1 12 . 1 1 64 64 GLY H H 64 8.618 8.618 8.253 0.365 19974 9497 1 12 . 1 1 65 65 VAL N N 65 120.490 120.490 126.045 -5.555 19974 9498 1 12 . 1 1 65 65 VAL HA H 65 4.814 4.814 4.840 -0.026 19974 9499 1 12 . 1 1 65 65 VAL C C 65 172.610 172.610 174.298 -1.688 19974 9500 1 12 . 1 1 65 65 VAL CA C 65 60.890 60.890 61.675 -0.785 19974 9501 1 12 . 1 1 65 65 VAL CB C 65 35.570 35.570 34.101 1.469 19974 9502 1 12 . 1 1 65 65 VAL H H 65 9.053 9.053 9.278 -0.225 19974 9503 1 12 . 1 1 66 66 LEU N N 66 127.740 127.740 129.012 -1.272 19974 9504 1 12 . 1 1 66 66 LEU HA H 66 5.097 5.097 5.360 -0.263 19974 9505 1 12 . 1 1 66 66 LEU C C 66 175.120 175.120 174.885 0.235 19974 9506 1 12 . 1 1 66 66 LEU CA C 66 51.870 51.870 53.376 -1.506 19974 9507 1 12 . 1 1 66 66 LEU CB C 66 47.520 47.520 46.579 0.941 19974 9508 1 12 . 1 1 66 66 LEU H H 66 9.245 9.245 9.576 -0.331 19974 9509 1 12 . 1 1 67 67 ILE N N 67 126.030 126.030 127.570 -1.540 19974 9510 1 12 . 1 1 67 67 ILE HA H 67 4.484 4.484 4.792 -0.308 19974 9511 1 12 . 1 1 67 67 ILE C C 67 173.290 173.290 174.853 -1.563 19974 9512 1 12 . 1 1 67 67 ILE CA C 67 61.090 61.090 60.445 0.645 19974 9513 1 12 . 1 1 67 67 ILE CB C 67 37.480 37.480 38.255 -0.776 19974 9514 1 12 . 1 1 67 67 ILE H H 67 8.974 8.974 9.121 -0.147 19974 9515 1 12 . 1 1 68 68 TYR N N 68 129.400 129.400 130.265 -0.865 19974 9516 1 12 . 1 1 68 68 TYR HA H 68 4.887 4.887 5.097 -0.210 19974 9517 1 12 . 1 1 68 68 TYR C C 68 174.140 174.140 174.014 0.126 19974 9518 1 12 . 1 1 68 68 TYR CA C 68 56.990 56.990 57.860 -0.870 19974 9519 1 12 . 1 1 68 68 TYR CB C 68 40.790 40.790 39.571 1.219 19974 9520 1 12 . 1 1 68 68 TYR H H 68 8.999 8.999 8.965 0.034 19974 9521 1 12 . 1 1 69 69 VAL N N 69 126.790 126.790 128.787 -1.997 19974 9522 1 12 . 1 1 69 69 VAL HA H 69 4.401 4.401 4.825 -0.424 19974 9523 1 12 . 1 1 69 69 VAL C C 69 172.350 172.350 173.739 -1.389 19974 9524 1 12 . 1 1 69 69 VAL CA C 69 60.810 60.810 60.395 0.415 19974 9525 1 12 . 1 1 69 69 VAL CB C 69 34.360 34.360 34.961 -0.601 19974 9526 1 12 . 1 1 69 69 VAL H H 69 8.378 8.378 8.779 -0.401 19974 9527 1 12 . 1 1 70 70 ALA N N 70 129.770 129.770 130.158 -0.388 19974 9528 1 12 . 1 1 70 70 ALA HA H 70 4.592 4.592 5.036 -0.444 19974 9529 1 12 . 1 1 70 70 ALA C C 70 177.620 177.620 178.099 -0.479 19974 9530 1 12 . 1 1 70 70 ALA CA C 70 49.210 49.210 50.210 -1.000 19974 9531 1 12 . 1 1 70 70 ALA CB C 70 17.470 17.470 19.165 -1.695 19974 9532 1 12 . 1 1 70 70 ALA H H 70 8.078 8.078 9.091 -1.013 19974 9533 1 12 . 1 1 71 71 VAL N N 71 120.880 120.880 119.685 1.195 19974 9534 1 12 . 1 1 71 71 VAL HA H 71 2.847 2.847 3.361 -0.514 19974 9535 1 12 . 1 1 71 71 VAL C C 71 178.310 178.310 176.297 2.013 19974 9536 1 12 . 1 1 71 71 VAL CA C 71 66.030 66.030 64.944 1.086 19974 9537 1 12 . 1 1 71 71 VAL CB C 71 32.110 32.110 30.864 1.246 19974 9538 1 12 . 1 1 71 71 VAL H H 71 8.597 8.597 8.845 -0.248 19974 9539 1 12 . 1 1 72 72 GLU N N 72 119.350 119.350 120.740 -1.390 19974 9540 1 12 . 1 1 72 72 GLU HA H 72 3.955 3.955 4.198 -0.243 19974 9541 1 12 . 1 1 72 72 GLU C C 72 177.650 177.650 177.791 -0.141 19974 9542 1 12 . 1 1 72 72 GLU CA C 72 59.260 59.260 58.621 0.639 19974 9543 1 12 . 1 1 72 72 GLU CB C 72 28.940 28.940 29.731 -0.791 19974 9544 1 12 . 1 1 72 72 GLU H H 72 9.107 9.107 7.763 1.344 19974 9545 1 12 . 1 1 73 73 ASP N N 73 115.250 115.250 117.156 -1.906 19974 9546 1 12 . 1 1 73 73 ASP HA H 73 4.544 4.544 4.785 -0.241 19974 9547 1 12 . 1 1 73 73 ASP C C 73 175.460 175.460 175.943 -0.483 19974 9548 1 12 . 1 1 73 73 ASP CA C 73 54.030 54.030 54.082 -0.052 19974 9549 1 12 . 1 1 73 73 ASP CB C 73 41.350 41.350 41.590 -0.240 19974 9550 1 12 . 1 1 73 73 ASP H H 73 7.039 7.039 8.103 -1.064 19974 9551 1 12 . 1 1 74 74 LYS N N 74 115.850 115.850 118.591 -2.741 19974 9552 1 12 . 1 1 74 74 LYS HA H 74 3.502 3.502 3.997 -0.495 19974 9553 1 12 . 1 1 74 74 LYS C C 74 174.920 174.920 175.296 -0.376 19974 9554 1 12 . 1 1 74 74 LYS CA C 74 57.180 57.180 57.404 -0.224 19974 9555 1 12 . 1 1 74 74 LYS CB C 74 29.100 29.100 31.027 -1.927 19974 9556 1 12 . 1 1 74 74 LYS H H 74 8.012 8.012 7.934 0.078 19974 9557 1 12 . 1 1 75 75 THR N N 75 111.710 111.710 116.857 -5.147 19974 9558 1 12 . 1 1 75 75 THR HA H 75 4.725 4.725 4.667 0.058 19974 9559 1 12 . 1 1 75 75 THR C C 75 172.150 172.150 173.229 -1.079 19974 9560 1 12 . 1 1 75 75 THR CA C 75 60.740 60.740 61.420 -0.680 19974 9561 1 12 . 1 1 75 75 THR CB C 75 70.900 70.900 70.081 0.819 19974 9562 1 12 . 1 1 75 75 THR H H 75 7.763 7.763 7.747 0.016 19974 9563 1 12 . 1 1 76 76 PHE N N 76 117.220 117.220 124.799 -7.579 19974 9564 1 12 . 1 1 76 76 PHE HA H 76 5.968 5.968 5.570 0.398 19974 9565 1 12 . 1 1 76 76 PHE C C 76 173.250 173.250 174.083 -0.833 19974 9566 1 12 . 1 1 76 76 PHE CA C 76 54.920 54.920 54.985 -0.065 19974 9567 1 12 . 1 1 76 76 PHE CB C 76 42.780 42.780 40.642 2.138 19974 9568 1 12 . 1 1 76 76 PHE H H 76 7.992 7.992 8.279 -0.287 19974 9569 1 12 . 1 1 77 77 VAL N N 77 120.030 120.030 122.320 -2.290 19974 9570 1 12 . 1 1 77 77 VAL HA H 77 4.015 4.015 4.485 -0.470 19974 9571 1 12 . 1 1 77 77 VAL C C 77 173.310 173.310 174.355 -1.045 19974 9572 1 12 . 1 1 77 77 VAL CA C 77 60.840 60.840 61.157 -0.317 19974 9573 1 12 . 1 1 77 77 VAL CB C 77 37.410 37.410 35.928 1.482 19974 9574 1 12 . 1 1 77 77 VAL H H 77 9.447 9.447 9.336 0.111 19974 9575 1 12 . 1 1 78 78 ILE N N 78 125.240 125.240 123.771 1.469 19974 9576 1 12 . 1 1 78 78 ILE HA H 78 4.433 4.433 5.080 -0.647 19974 9577 1 12 . 1 1 78 78 ILE C C 78 174.090 174.090 175.196 -1.106 19974 9578 1 12 . 1 1 78 78 ILE CA C 78 60.081 60.081 60.282 -0.201 19974 9579 1 12 . 1 1 78 78 ILE CB C 78 38.340 38.340 40.099 -1.760 19974 9580 1 12 . 1 1 78 78 ILE H H 78 8.155 8.155 8.357 -0.202 19974 9581 1 12 . 1 1 79 79 TYR N N 79 130.130 130.130 128.719 1.411 19974 9582 1 12 . 1 1 79 79 TYR HA H 79 4.422 4.422 5.003 -0.581 19974 9583 1 12 . 1 1 79 79 TYR C C 79 172.740 172.740 173.867 -1.127 19974 9584 1 12 . 1 1 79 79 TYR CA C 79 57.390 57.390 56.952 0.438 19974 9585 1 12 . 1 1 79 79 TYR CB C 79 40.820 40.820 42.941 -2.121 19974 9586 1 12 . 1 1 79 79 TYR H H 79 9.328 9.328 9.411 -0.083 19974 9587 1 12 . 1 1 80 80 GLY N N 80 114.140 114.140 112.087 2.053 19974 9588 1 12 . 1 1 80 80 GLY C C 80 171.090 171.090 173.084 -1.994 19974 9589 1 12 . 1 1 80 80 GLY CA C 80 42.860 42.860 43.642 -0.782 19974 9590 1 12 . 1 1 80 80 GLY H H 80 7.837 7.837 7.973 -0.136 19974 9591 1 12 . 1 1 81 81 ASP N N 81 115.660 115.660 120.642 -4.982 19974 9592 1 12 . 1 1 81 81 ASP HA H 81 4.248 4.248 4.502 -0.254 19974 9593 1 12 . 1 1 81 81 ASP C C 81 176.980 176.980 177.994 -1.014 19974 9594 1 12 . 1 1 81 81 ASP CA C 81 51.950 51.950 54.353 -2.403 19974 9595 1 12 . 1 1 81 81 ASP CB C 81 41.260 41.260 42.555 -1.295 19974 9596 1 12 . 1 1 81 81 ASP H H 81 7.633 7.633 8.439 -0.806 19974 9597 1 12 . 1 1 82 82 LYS N N 82 120.470 120.470 121.911 -1.441 19974 9598 1 12 . 1 1 82 82 LYS HA H 82 3.764 3.764 3.908 -0.144 19974 9599 1 12 . 1 1 82 82 LYS C C 82 176.350 176.350 178.656 -2.306 19974 9600 1 12 . 1 1 82 82 LYS CA C 82 59.290 59.290 59.690 -0.400 19974 9601 1 12 . 1 1 82 82 LYS CB C 82 33.720 33.720 32.394 1.327 19974 9602 1 12 . 1 1 82 82 LYS H H 82 9.212 9.212 8.600 0.612 19974 9603 1 12 . 1 1 83 83 GLY N N 83 105.260 105.260 106.873 -1.613 19974 9604 1 12 . 1 1 83 83 GLY C C 83 176.540 176.540 175.982 0.558 19974 9605 1 12 . 1 1 83 83 GLY CA C 83 46.260 46.260 47.011 -0.751 19974 9606 1 12 . 1 1 83 83 GLY H H 83 8.367 8.367 8.015 0.352 19974 9607 1 12 . 1 1 84 84 ILE N N 84 117.510 117.510 123.038 -5.528 19974 9608 1 12 . 1 1 84 84 ILE HA H 84 3.644 3.644 3.628 0.016 19974 9609 1 12 . 1 1 84 84 ILE C C 84 177.010 177.010 177.869 -0.859 19974 9610 1 12 . 1 1 84 84 ILE CA C 84 63.636 63.636 65.301 -1.665 19974 9611 1 12 . 1 1 84 84 ILE CB C 84 38.820 38.820 38.114 0.706 19974 9612 1 12 . 1 1 84 84 ILE H H 84 7.040 7.040 7.337 -0.297 19974 9613 1 12 . 1 1 85 85 ASN N N 85 117.400 117.400 116.998 0.402 19974 9614 1 12 . 1 1 85 85 ASN HA H 85 4.115 4.115 4.391 -0.276 19974 9615 1 12 . 1 1 85 85 ASN C C 85 176.600 176.600 176.647 -0.047 19974 9616 1 12 . 1 1 85 85 ASN CA C 85 55.840 55.840 56.174 -0.334 19974 9617 1 12 . 1 1 85 85 ASN CB C 85 37.720 37.720 38.311 -0.591 19974 9618 1 12 . 1 1 85 85 ASN H H 85 7.351 7.351 7.975 -0.624 19974 9619 1 12 . 1 1 86 86 ASP N N 86 115.890 115.890 118.348 -2.458 19974 9620 1 12 . 1 1 86 86 ASP HA H 86 4.391 4.391 4.575 -0.184 19974 9621 1 12 . 1 1 86 86 ASP C C 86 177.240 177.240 176.990 0.250 19974 9622 1 12 . 1 1 86 86 ASP CA C 86 56.260 56.260 56.344 -0.084 19974 9623 1 12 . 1 1 86 86 ASP CB C 86 41.200 41.200 41.260 -0.060 19974 9624 1 12 . 1 1 86 86 ASP H H 86 8.377 8.377 8.319 0.058 19974 9625 1 12 . 1 1 87 87 VAL N N 87 109.640 109.640 117.511 -7.871 19974 9626 1 12 . 1 1 87 87 VAL HA H 87 4.473 4.473 4.237 0.236 19974 9627 1 12 . 1 1 87 87 VAL C C 87 175.780 175.780 175.135 0.645 19974 9628 1 12 . 1 1 87 87 VAL CA C 87 61.320 61.320 62.608 -1.288 19974 9629 1 12 . 1 1 87 87 VAL CB C 87 34.170 34.170 33.616 0.554 19974 9630 1 12 . 1 1 87 87 VAL H H 87 7.196 7.196 7.565 -0.369 19974 9631 1 12 . 1 1 88 88 VAL N N 88 113.200 113.200 111.772 1.428 19974 9632 1 12 . 1 1 88 88 VAL HA H 88 3.789 3.789 4.156 -0.367 19974 9633 1 12 . 1 1 88 88 VAL C C 88 175.760 175.760 174.142 1.618 19974 9634 1 12 . 1 1 88 88 VAL CA C 88 60.640 60.640 59.273 1.367 19974 9635 1 12 . 1 1 88 88 VAL CB C 88 32.970 32.970 33.875 -0.905 19974 9636 1 12 . 1 1 88 88 VAL H H 88 6.921 6.921 7.785 -0.864 19974 9637 1 12 . 1 1 89 89 SER N N 89 114.460 114.460 115.219 -0.759 19974 9638 1 12 . 1 1 89 89 SER HA H 89 4.546 4.546 4.823 -0.277 19974 9639 1 12 . 1 1 89 89 SER C C 89 175.720 175.720 175.082 0.638 19974 9640 1 12 . 1 1 89 89 SER CA C 89 57.330 57.330 56.815 0.515 19974 9641 1 12 . 1 1 89 89 SER CB C 89 64.500 64.500 65.995 -1.495 19974 9642 1 12 . 1 1 89 89 SER H H 89 7.738 7.738 8.209 -0.471 19974 9643 1 12 . 1 1 90 90 ASP N N 90 120.250 120.250 122.718 -2.468 19974 9644 1 12 . 1 1 90 90 ASP HA H 90 4.361 4.361 4.428 -0.067 19974 9645 1 12 . 1 1 90 90 ASP C C 90 176.630 176.630 178.269 -1.639 19974 9646 1 12 . 1 1 90 90 ASP CA C 90 57.050 57.050 57.097 -0.047 19974 9647 1 12 . 1 1 90 90 ASP CB C 90 40.540 40.540 40.717 -0.177 19974 9648 1 12 . 1 1 90 90 ASP H H 90 8.687 8.687 8.846 -0.159 19974 9649 1 12 . 1 1 91 91 ASP N N 91 116.800 116.800 117.722 -0.922 19974 9650 1 12 . 1 1 91 91 ASP HA H 91 4.605 4.605 4.569 0.036 19974 9651 1 12 . 1 1 91 91 ASP C C 91 177.610 177.610 178.051 -0.441 19974 9652 1 12 . 1 1 91 91 ASP CA C 91 52.890 52.890 56.089 -3.199 19974 9653 1 12 . 1 1 91 91 ASP CB C 91 40.230 40.230 40.631 -0.401 19974 9654 1 12 . 1 1 91 91 ASP H H 91 8.250 8.250 8.652 -0.402 19974 9655 1 12 . 1 1 92 92 PHE N N 92 122.130 122.130 121.236 0.894 19974 9656 1 12 . 1 1 92 92 PHE HA H 92 3.857 3.857 4.415 -0.558 19974 9657 1 12 . 1 1 92 92 PHE C C 92 177.040 177.040 176.772 0.268 19974 9658 1 12 . 1 1 92 92 PHE CA C 92 61.910 61.910 60.566 1.344 19974 9659 1 12 . 1 1 92 92 PHE CB C 92 40.696 40.696 39.656 1.040 19974 9660 1 12 . 1 1 92 92 PHE H H 92 7.564 7.564 7.917 -0.353 19974 9661 1 12 . 1 1 93 93 TRP N N 93 113.980 113.980 119.257 -5.277 19974 9662 1 12 . 1 1 93 93 TRP HA H 93 4.726 4.726 4.592 0.134 19974 9663 1 12 . 1 1 93 93 TRP C C 93 176.420 176.420 177.980 -1.560 19974 9664 1 12 . 1 1 93 93 TRP CA C 93 56.020 56.020 59.675 -3.655 19974 9665 1 12 . 1 1 93 93 TRP CB C 93 29.990 29.990 29.299 0.691 19974 9666 1 12 . 1 1 93 93 TRP H H 93 8.532 8.532 7.910 0.622 19974 9667 1 12 . 1 1 94 94 ASP N N 94 122.120 122.120 119.732 2.388 19974 9668 1 12 . 1 1 94 94 ASP HA H 94 4.228 4.228 4.501 -0.273 19974 9669 1 12 . 1 1 94 94 ASP C C 94 178.550 178.550 178.064 0.486 19974 9670 1 12 . 1 1 94 94 ASP CA C 94 59.120 59.120 57.982 1.138 19974 9671 1 12 . 1 1 94 94 ASP CB C 94 39.140 39.140 40.660 -1.520 19974 9672 1 12 . 1 1 94 94 ASP H H 94 7.904 7.904 8.295 -0.391 19974 9673 1 12 . 1 1 95 95 THR N N 95 111.200 111.200 110.815 0.385 19974 9674 1 12 . 1 1 95 95 THR HA H 95 4.004 4.004 4.018 -0.014 19974 9675 1 12 . 1 1 95 95 THR C C 95 177.630 177.630 176.648 0.982 19974 9676 1 12 . 1 1 95 95 THR CA C 95 65.560 65.560 65.853 -0.293 19974 9677 1 12 . 1 1 95 95 THR CB C 95 68.230 68.230 68.613 -0.383 19974 9678 1 12 . 1 1 95 95 THR H H 95 8.559 8.559 7.705 0.854 19974 9679 1 12 . 1 1 96 96 THR N N 96 123.230 123.230 118.900 4.330 19974 9680 1 12 . 1 1 96 96 THR HA H 96 3.725 3.725 3.807 -0.082 19974 9681 1 12 . 1 1 96 96 THR C C 96 175.410 175.410 176.477 -1.067 19974 9682 1 12 . 1 1 96 96 THR CA C 96 68.286 68.286 66.825 1.461 19974 9683 1 12 . 1 1 96 96 THR CB C 96 68.200 68.200 68.519 -0.319 19974 9684 1 12 . 1 1 96 96 THR H H 96 7.991 7.991 7.682 0.309 19974 9685 1 12 . 1 1 97 97 ARG N N 97 119.960 119.960 120.754 -0.794 19974 9686 1 12 . 1 1 97 97 ARG HA H 97 3.829 3.829 3.955 -0.126 19974 9687 1 12 . 1 1 97 97 ARG C C 97 178.320 178.320 178.747 -0.427 19974 9688 1 12 . 1 1 97 97 ARG CA C 97 60.390 60.390 59.922 0.468 19974 9689 1 12 . 1 1 97 97 ARG CB C 97 29.870 29.870 30.133 -0.263 19974 9690 1 12 . 1 1 97 97 ARG H H 97 8.825 8.825 7.863 0.962 19974 9691 1 12 . 1 1 98 98 ASN N N 98 115.680 115.680 117.761 -2.081 19974 9692 1 12 . 1 1 98 98 ASN HA H 98 4.390 4.390 4.493 -0.103 19974 9693 1 12 . 1 1 98 98 ASN C C 98 176.620 176.620 177.399 -0.779 19974 9694 1 12 . 1 1 98 98 ASN CA C 98 56.050 56.050 56.489 -0.439 19974 9695 1 12 . 1 1 98 98 ASN CB C 98 38.220 38.220 38.533 -0.313 19974 9696 1 12 . 1 1 98 98 ASN H H 98 8.508 8.508 8.362 0.146 19974 9697 1 12 . 1 1 99 99 ALA N N 99 120.830 120.830 123.725 -2.895 19974 9698 1 12 . 1 1 99 99 ALA HA H 99 4.020 4.020 4.001 0.019 19974 9699 1 12 . 1 1 99 99 ALA C C 99 179.800 179.800 179.230 0.570 19974 9700 1 12 . 1 1 99 99 ALA CA C 99 54.770 54.770 55.096 -0.326 19974 9701 1 12 . 1 1 99 99 ALA CB C 99 18.110 18.110 18.612 -0.502 19974 9702 1 12 . 1 1 99 99 ALA H H 99 7.447 7.447 7.764 -0.317 19974 9703 1 12 . 1 1 100 100 ILE N N 100 116.240 116.240 119.588 -3.348 19974 9704 1 12 . 1 1 100 100 ILE HA H 100 3.203 3.203 3.484 -0.281 19974 9705 1 12 . 1 1 100 100 ILE C C 100 178.050 178.050 177.720 0.330 19974 9706 1 12 . 1 1 100 100 ILE CA C 100 64.550 64.550 65.261 -0.711 19974 9707 1 12 . 1 1 100 100 ILE CB C 100 37.640 37.640 37.231 0.409 19974 9708 1 12 . 1 1 100 100 ILE H H 100 7.339 7.339 7.700 -0.361 19974 9709 1 12 . 1 1 101 101 GLN N N 101 118.750 118.750 119.244 -0.494 19974 9710 1 12 . 1 1 101 101 GLN HA H 101 3.917 3.917 3.786 0.131 19974 9711 1 12 . 1 1 101 101 GLN C C 101 177.870 177.870 178.416 -0.546 19974 9712 1 12 . 1 1 101 101 GLN CA C 101 59.200 59.200 59.190 0.010 19974 9713 1 12 . 1 1 101 101 GLN CB C 101 28.860 28.860 28.842 0.018 19974 9714 1 12 . 1 1 101 101 GLN H H 101 8.359 8.359 8.196 0.163 19974 9715 1 12 . 1 1 102 102 LEU N N 102 117.790 117.790 120.359 -2.569 19974 9716 1 12 . 1 1 102 102 LEU HA H 102 3.951 3.951 4.050 -0.099 19974 9717 1 12 . 1 1 102 102 LEU C C 102 179.550 179.550 179.110 0.440 19974 9718 1 12 . 1 1 102 102 LEU CA C 102 58.190 58.190 58.073 0.117 19974 9719 1 12 . 1 1 102 102 LEU CB C 102 42.320 42.320 41.812 0.508 19974 9720 1 12 . 1 1 102 102 LEU H H 102 8.119 8.119 7.915 0.204 19974 9721 1 12 . 1 1 103 103 GLN N N 103 113.650 113.650 118.082 -4.432 19974 9722 1 12 . 1 1 103 103 GLN HA H 103 4.426 4.426 4.105 0.321 19974 9723 1 12 . 1 1 103 103 GLN C C 103 179.680 179.680 178.697 0.983 19974 9724 1 12 . 1 1 103 103 GLN CA C 103 56.550 56.550 58.684 -2.134 19974 9725 1 12 . 1 1 103 103 GLN CB C 103 27.480 27.480 28.546 -1.066 19974 9726 1 12 . 1 1 103 103 GLN H H 103 6.636 6.636 7.714 -1.078 19974 9727 1 12 . 1 1 104 104 PHE N N 104 123.740 123.740 120.892 2.848 19974 9728 1 12 . 1 1 104 104 PHE HA H 104 3.895 3.895 4.292 -0.397 19974 9729 1 12 . 1 1 104 104 PHE C C 104 180.130 180.130 177.814 2.316 19974 9730 1 12 . 1 1 104 104 PHE CA C 104 59.760 59.760 61.419 -1.659 19974 9731 1 12 . 1 1 104 104 PHE CB C 104 36.620 36.620 39.054 -2.434 19974 9732 1 12 . 1 1 104 104 PHE H H 104 9.161 9.161 8.897 0.264 19974 9733 1 12 . 1 1 105 105 LYS N N 105 119.280 119.280 118.618 0.662 19974 9734 1 12 . 1 1 105 105 LYS HA H 105 4.126 4.126 4.114 0.012 19974 9735 1 12 . 1 1 105 105 LYS C C 105 177.290 177.290 178.221 -0.931 19974 9736 1 12 . 1 1 105 105 LYS CA C 105 58.913 58.913 58.834 0.079 19974 9737 1 12 . 1 1 105 105 LYS CB C 105 31.920 31.920 32.210 -0.290 19974 9738 1 12 . 1 1 105 105 LYS H H 105 8.519 8.519 8.325 0.194 19974 9739 1 12 . 1 1 106 106 GLN N N 106 114.530 114.530 115.801 -1.271 19974 9740 1 12 . 1 1 106 106 GLN HA H 106 4.415 4.415 4.259 0.156 19974 9741 1 12 . 1 1 106 106 GLN C C 106 175.450 175.450 176.885 -1.435 19974 9742 1 12 . 1 1 106 106 GLN CA C 106 54.850 54.850 57.119 -2.269 19974 9743 1 12 . 1 1 106 106 GLN CB C 106 30.010 30.010 29.887 0.123 19974 9744 1 12 . 1 1 106 106 GLN H H 106 6.934 6.934 7.536 -0.602 19974 9745 1 12 . 1 1 107 107 GLY N N 107 106.800 106.800 105.483 1.317 19974 9746 1 12 . 1 1 107 107 GLY C C 107 173.140 173.140 173.631 -0.491 19974 9747 1 12 . 1 1 107 107 GLY CA C 107 44.930 44.930 44.358 0.572 19974 9748 1 12 . 1 1 107 107 GLY H H 107 7.722 7.722 8.165 -0.443 19974 9749 1 12 . 1 1 108 108 ASN N N 108 120.230 120.230 120.955 -0.725 19974 9750 1 12 . 1 1 108 108 ASN HA H 108 4.827 4.827 4.720 0.107 19974 9751 1 12 . 1 1 108 108 ASN C C 108 174.820 174.820 174.529 0.291 19974 9752 1 12 . 1 1 108 108 ASN CA C 108 50.520 50.520 50.331 0.189 19974 9753 1 12 . 1 1 108 108 ASN CB C 108 37.090 37.090 37.140 -0.050 19974 9754 1 12 . 1 1 108 108 ASN H H 108 7.654 7.654 7.891 -0.237 19974 9755 1 12 . 1 1 109 109 PHE N N 109 122.130 122.130 123.562 -1.432 19974 9756 1 12 . 1 1 109 109 PHE HA H 109 4.038 4.038 3.512 0.526 19974 9757 1 12 . 1 1 109 109 PHE C C 109 177.270 177.270 177.427 -0.157 19974 9758 1 12 . 1 1 109 109 PHE CA C 109 60.670 60.670 60.759 -0.089 19974 9759 1 12 . 1 1 109 109 PHE CB C 109 38.220 38.220 38.106 0.114 19974 9760 1 12 . 1 1 109 109 PHE H H 109 7.231 7.231 7.152 0.079 19974 9761 1 12 . 1 1 110 110 LYS N N 110 118.670 118.670 119.639 -0.969 19974 9762 1 12 . 1 1 110 110 LYS HA H 110 3.610 3.610 3.796 -0.186 19974 9763 1 12 . 1 1 110 110 LYS C C 110 177.680 177.680 178.488 -0.808 19974 9764 1 12 . 1 1 110 110 LYS CA C 110 60.050 60.050 60.800 -0.750 19974 9765 1 12 . 1 1 110 110 LYS CB C 110 29.680 29.680 32.056 -2.376 19974 9766 1 12 . 1 1 110 110 LYS H H 110 8.727 8.727 8.777 -0.050 19974 9767 1 12 . 1 1 111 111 GLN N N 111 117.980 117.980 118.627 -0.647 19974 9768 1 12 . 1 1 111 111 GLN HA H 111 3.491 3.491 4.123 -0.632 19974 9769 1 12 . 1 1 111 111 GLN C C 111 177.640 177.640 178.344 -0.704 19974 9770 1 12 . 1 1 111 111 GLN CA C 111 57.530 57.530 58.745 -1.214 19974 9771 1 12 . 1 1 111 111 GLN CB C 111 28.460 28.460 28.158 0.302 19974 9772 1 12 . 1 1 111 111 GLN H H 111 8.442 8.442 8.286 0.156 19974 9773 1 12 . 1 1 112 112 GLY N N 112 103.740 103.740 108.128 -4.388 19974 9774 1 12 . 1 1 112 112 GLY C C 112 173.970 173.970 176.340 -2.370 19974 9775 1 12 . 1 1 112 112 GLY CA C 112 48.730 48.730 46.922 1.808 19974 9776 1 12 . 1 1 112 112 GLY H H 112 8.196 8.196 8.076 0.120 19974 9777 1 12 . 1 1 113 113 LEU N N 113 119.640 119.640 122.826 -3.186 19974 9778 1 12 . 1 1 113 113 LEU HA H 113 3.868 3.868 4.057 -0.189 19974 9779 1 12 . 1 1 113 113 LEU C C 113 177.480 177.480 178.967 -1.487 19974 9780 1 12 . 1 1 113 113 LEU CA C 113 58.150 58.150 57.687 0.463 19974 9781 1 12 . 1 1 113 113 LEU CB C 113 41.920 41.920 42.063 -0.143 19974 9782 1 12 . 1 1 113 113 LEU H H 113 7.614 7.614 8.416 -0.802 19974 9783 1 12 . 1 1 114 114 VAL N N 114 118.510 118.510 121.152 -2.642 19974 9784 1 12 . 1 1 114 114 VAL HA H 114 3.269 3.269 3.532 -0.263 19974 9785 1 12 . 1 1 114 114 VAL C C 114 177.330 177.330 177.861 -0.531 19974 9786 1 12 . 1 1 114 114 VAL CA C 114 67.787 67.787 67.387 0.400 19974 9787 1 12 . 1 1 114 114 VAL CB C 114 31.600 31.600 31.713 -0.113 19974 9788 1 12 . 1 1 114 114 VAL H H 114 8.284 8.284 8.543 -0.259 19974 9789 1 12 . 1 1 115 115 ASP N N 115 119.440 119.440 119.058 0.382 19974 9790 1 12 . 1 1 115 115 ASP HA H 115 4.261 4.261 4.518 -0.257 19974 9791 1 12 . 1 1 115 115 ASP C C 115 179.840 179.840 178.727 1.113 19974 9792 1 12 . 1 1 115 115 ASP CA C 115 56.950 56.950 56.761 0.189 19974 9793 1 12 . 1 1 115 115 ASP CB C 115 39.840 39.840 40.247 -0.407 19974 9794 1 12 . 1 1 115 115 ASP H H 115 8.724 8.724 8.661 0.063 19974 9795 1 12 . 1 1 116 116 GLY N N 116 107.280 107.280 108.833 -1.553 19974 9796 1 12 . 1 1 116 116 GLY C C 116 174.130 174.130 176.076 -1.946 19974 9797 1 12 . 1 1 116 116 GLY CA C 116 47.190 47.190 46.876 0.314 19974 9798 1 12 . 1 1 116 116 GLY H H 116 8.370 8.370 8.020 0.350 19974 9799 1 12 . 1 1 117 117 ILE N N 117 123.350 123.350 122.570 0.780 19974 9800 1 12 . 1 1 117 117 ILE HA H 117 3.307 3.307 3.577 -0.270 19974 9801 1 12 . 1 1 117 117 ILE C C 117 176.750 176.750 177.232 -0.482 19974 9802 1 12 . 1 1 117 117 ILE CA C 117 66.168 66.168 65.499 0.669 19974 9803 1 12 . 1 1 117 117 ILE CB C 117 37.760 37.760 37.997 -0.237 19974 9804 1 12 . 1 1 117 117 ILE H H 117 8.573 8.573 8.067 0.506 19974 9805 1 12 . 1 1 118 118 GLU N N 118 119.220 119.220 120.021 -0.801 19974 9806 1 12 . 1 1 118 118 GLU HA H 118 4.003 4.003 3.842 0.161 19974 9807 1 12 . 1 1 118 118 GLU C C 118 180.600 180.600 179.019 1.581 19974 9808 1 12 . 1 1 118 118 GLU CA C 118 59.472 59.472 59.923 -0.451 19974 9809 1 12 . 1 1 118 118 GLU CB C 118 29.310 29.310 29.515 -0.205 19974 9810 1 12 . 1 1 118 118 GLU H H 118 7.998 7.998 8.202 -0.204 19974 9811 1 12 . 1 1 119 119 LYS N N 119 118.270 118.270 118.713 -0.443 19974 9812 1 12 . 1 1 119 119 LYS HA H 119 3.897 3.897 4.059 -0.162 19974 9813 1 12 . 1 1 119 119 LYS C C 119 179.040 179.040 178.790 0.250 19974 9814 1 12 . 1 1 119 119 LYS CA C 119 58.090 58.090 58.941 -0.851 19974 9815 1 12 . 1 1 119 119 LYS CB C 119 31.340 31.340 32.297 -0.957 19974 9816 1 12 . 1 1 119 119 LYS H H 119 7.846 7.846 7.828 0.018 19974 9817 1 12 . 1 1 120 120 ALA N N 120 125.280 125.280 123.241 2.039 19974 9818 1 12 . 1 1 120 120 ALA HA H 120 4.195 4.195 3.958 0.237 19974 9819 1 12 . 1 1 120 120 ALA C C 120 180.230 180.230 179.444 0.786 19974 9820 1 12 . 1 1 120 120 ALA CA C 120 55.040 55.040 55.038 0.002 19974 9821 1 12 . 1 1 120 120 ALA CB C 120 17.380 17.380 18.309 -0.929 19974 9822 1 12 . 1 1 120 120 ALA H H 120 9.092 9.092 7.669 1.423 19974 9823 1 12 . 1 1 121 121 GLY N N 121 104.130 104.130 106.728 -2.598 19974 9824 1 12 . 1 1 121 121 GLY C C 121 174.930 174.930 175.970 -1.040 19974 9825 1 12 . 1 1 121 121 GLY CA C 121 47.590 47.590 47.029 0.561 19974 9826 1 12 . 1 1 121 121 GLY H H 121 8.606 8.606 8.712 -0.106 19974 9827 1 12 . 1 1 122 122 MET N N 122 117.000 117.000 122.302 -5.302 19974 9828 1 12 . 1 1 122 122 MET HA H 122 4.183 4.183 4.133 0.050 19974 9829 1 12 . 1 1 122 122 MET C C 122 178.500 178.500 177.956 0.544 19974 9830 1 12 . 1 1 122 122 MET CA C 122 57.470 57.470 57.490 -0.020 19974 9831 1 12 . 1 1 122 122 MET CB C 122 32.200 32.200 32.330 -0.130 19974 9832 1 12 . 1 1 122 122 MET H H 122 7.284 7.284 8.068 -0.784 19974 9833 1 12 . 1 1 123 123 ALA N N 123 124.060 124.060 121.515 2.545 19974 9834 1 12 . 1 1 123 123 ALA HA H 123 4.076 4.076 4.204 -0.128 19974 9835 1 12 . 1 1 123 123 ALA C C 123 180.880 180.880 180.626 0.254 19974 9836 1 12 . 1 1 123 123 ALA CA C 123 54.760 54.760 54.783 -0.023 19974 9837 1 12 . 1 1 123 123 ALA CB C 123 17.590 17.590 18.121 -0.531 19974 9838 1 12 . 1 1 123 123 ALA H H 123 8.308 8.308 8.004 0.304 19974 9839 1 12 . 1 1 124 124 LEU N N 124 117.060 117.060 120.279 -3.219 19974 9840 1 12 . 1 1 124 124 LEU HA H 124 4.270 4.270 4.300 -0.030 19974 9841 1 12 . 1 1 124 124 LEU C C 124 179.170 179.170 179.121 0.049 19974 9842 1 12 . 1 1 124 124 LEU CA C 124 57.840 57.840 57.959 -0.119 19974 9843 1 12 . 1 1 124 124 LEU CB C 124 42.920 42.920 41.867 1.053 19974 9844 1 12 . 1 1 124 124 LEU H H 124 8.871 8.871 8.803 0.068 19974 9845 1 12 . 1 1 125 125 ALA N N 125 120.950 120.950 120.036 0.914 19974 9846 1 12 . 1 1 125 125 ALA HA H 125 3.956 3.956 4.449 -0.493 19974 9847 1 12 . 1 1 125 125 ALA C C 125 177.740 177.740 178.876 -1.136 19974 9848 1 12 . 1 1 125 125 ALA CA C 125 55.220 55.220 54.748 0.472 19974 9849 1 12 . 1 1 125 125 ALA CB C 125 19.180 19.180 18.526 0.654 19974 9850 1 12 . 1 1 125 125 ALA H H 125 7.829 7.829 8.438 -0.609 19974 9851 1 12 . 1 1 126 126 LYS N N 126 113.320 113.320 117.113 -3.793 19974 9852 1 12 . 1 1 126 126 LYS HA H 126 3.798 3.798 4.137 -0.339 19974 9853 1 12 . 1 1 126 126 LYS C C 126 176.550 176.550 177.967 -1.417 19974 9854 1 12 . 1 1 126 126 LYS CA C 126 58.490 58.490 57.637 0.853 19974 9855 1 12 . 1 1 126 126 LYS CB C 126 32.620 32.620 32.219 0.401 19974 9856 1 12 . 1 1 126 126 LYS H H 126 6.971 6.971 7.749 -0.778 19974 9857 1 12 . 1 1 127 127 TYR N N 127 113.850 113.850 116.270 -2.420 19974 9858 1 12 . 1 1 127 127 TYR HA H 127 4.067 4.067 4.273 -0.206 19974 9859 1 12 . 1 1 127 127 TYR C C 127 174.390 174.390 175.950 -1.560 19974 9860 1 12 . 1 1 127 127 TYR CA C 127 58.770 58.770 59.879 -1.109 19974 9861 1 12 . 1 1 127 127 TYR CB C 127 41.930 41.930 39.617 2.313 19974 9862 1 12 . 1 1 127 127 TYR H H 127 6.817 6.817 7.796 -0.979 19974 9863 1 12 . 1 1 128 128 PHE N N 128 116.130 116.130 116.963 -0.833 19974 9864 1 12 . 1 1 128 128 PHE HA H 128 4.907 4.907 5.062 -0.155 19974 9865 1 12 . 1 1 128 128 PHE C C 128 172.450 172.450 173.272 -0.822 19974 9866 1 12 . 1 1 128 128 PHE CA C 128 55.003 55.003 54.882 0.121 19974 9867 1 12 . 1 1 128 128 PHE CB C 128 38.550 38.550 39.371 -0.821 19974 9868 1 12 . 1 1 128 128 PHE H H 128 8.688 8.688 8.583 0.105 19974 9869 1 12 . 1 1 129 129 PRO HA H 129 4.680 4.680 4.501 0.179 19974 9870 1 12 . 1 1 129 129 PRO C C 129 175.720 175.720 176.549 -0.829 19974 9871 1 12 . 1 1 129 129 PRO CA C 129 63.382 63.382 62.786 0.596 19974 9872 1 12 . 1 1 129 129 PRO CB C 129 31.810 31.810 32.091 -0.281 19974 9873 1 12 . 1 1 130 130 TRP N N 130 123.170 123.170 128.669 -5.499 19974 9874 1 12 . 1 1 130 130 TRP HA H 130 4.031 4.031 4.448 -0.417 19974 9875 1 12 . 1 1 130 130 TRP C C 130 175.310 175.310 175.840 -0.530 19974 9876 1 12 . 1 1 130 130 TRP CA C 130 59.510 59.510 58.530 0.980 19974 9877 1 12 . 1 1 130 130 TRP CB C 130 29.300 29.300 30.456 -1.156 19974 9878 1 12 . 1 1 130 130 TRP H H 130 7.910 7.910 8.625 -0.715 19974 9879 1 12 . 1 1 131 131 LYS N N 131 127.060 127.060 126.087 0.973 19974 9880 1 12 . 1 1 131 131 LYS HA H 131 4.260 4.260 4.278 -0.018 19974 9881 1 12 . 1 1 131 131 LYS C C 131 174.450 174.450 176.014 -1.564 19974 9882 1 12 . 1 1 131 131 LYS CA C 131 53.240 53.240 54.307 -1.067 19974 9883 1 12 . 1 1 131 131 LYS CB C 131 35.250 35.250 34.807 0.443 19974 9884 1 12 . 1 1 131 131 LYS H H 131 8.097 8.097 7.384 0.713 19974 9885 1 12 . 1 1 132 132 LYS N N 132 116.250 116.250 121.580 -5.330 19974 9886 1 12 . 1 1 132 132 LYS HA H 132 3.398 3.398 3.482 -0.084 19974 9887 1 12 . 1 1 132 132 LYS C C 132 176.550 176.550 176.185 0.365 19974 9888 1 12 . 1 1 132 132 LYS CA C 132 58.140 58.140 57.988 0.152 19974 9889 1 12 . 1 1 132 132 LYS CB C 132 31.880 31.880 32.333 -0.453 19974 9890 1 12 . 1 1 132 132 LYS H H 132 7.761 7.761 8.413 -0.652 19974 9891 1 12 . 1 1 133 133 ASP N N 133 116.600 116.600 117.720 -1.120 19974 9892 1 12 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.654 -0.303 19974 9893 1 12 . 1 1 133 133 ASP C C 133 175.320 175.320 175.682 -0.362 19974 9894 1 12 . 1 1 133 133 ASP CA C 133 52.520 52.520 53.396 -0.876 19974 9895 1 12 . 1 1 133 133 ASP CB C 133 38.720 38.720 40.039 -1.319 19974 9896 1 12 . 1 1 133 133 ASP H H 133 7.633 7.633 7.733 -0.100 19974 9897 1 12 . 1 1 134 134 ASP N N 134 119.140 119.140 120.850 -1.710 19974 9898 1 12 . 1 1 134 134 ASP HA H 134 3.989 3.989 4.413 -0.424 19974 9899 1 12 . 1 1 134 134 ASP C C 134 175.500 175.500 176.675 -1.175 19974 9900 1 12 . 1 1 134 134 ASP CA C 134 56.410 56.410 54.244 2.166 19974 9901 1 12 . 1 1 134 134 ASP CB C 134 42.740 42.740 42.056 0.684 19974 9902 1 12 . 1 1 134 134 ASP H H 134 7.251 7.251 7.296 -0.045 19974 9903 1 12 . 1 1 135 135 ILE N N 135 123.230 123.230 119.979 3.251 19974 9904 1 12 . 1 1 135 135 ILE HA H 135 4.301 4.301 4.433 -0.132 19974 9905 1 12 . 1 1 135 135 ILE C C 135 176.300 176.300 174.869 1.431 19974 9906 1 12 . 1 1 135 135 ILE CA C 135 58.640 58.640 59.608 -0.968 19974 9907 1 12 . 1 1 135 135 ILE CB C 135 40.800 40.800 39.541 1.259 19974 9908 1 12 . 1 1 135 135 ILE H H 135 8.351 8.351 8.136 0.215 19974 9909 1 12 . 1 1 136 136 ASP N N 136 131.670 131.670 128.258 3.412 19974 9910 1 12 . 1 1 136 136 ASP HA H 136 5.640 5.640 4.697 0.943 19974 9911 1 12 . 1 1 136 136 ASP C C 136 176.150 176.150 176.356 -0.206 19974 9912 1 12 . 1 1 136 136 ASP CA C 136 52.560 52.560 54.044 -1.484 19974 9913 1 12 . 1 1 136 136 ASP CB C 136 38.180 38.180 41.312 -3.132 19974 9914 1 12 . 1 1 136 136 ASP H H 136 9.036 9.036 8.658 0.378 19974 9915 1 12 . 1 1 137 137 GLU N N 137 125.270 125.270 123.591 1.679 19974 9916 1 12 . 1 1 137 137 GLU HA H 137 3.735 3.735 4.301 -0.566 19974 9917 1 12 . 1 1 137 137 GLU C C 137 176.110 176.110 176.272 -0.162 19974 9918 1 12 . 1 1 137 137 GLU CA C 137 59.490 59.490 57.231 2.259 19974 9919 1 12 . 1 1 137 137 GLU CB C 137 32.880 32.880 30.200 2.680 19974 9920 1 12 . 1 1 137 137 GLU H H 137 8.435 8.435 8.744 -0.309 19974 9921 1 12 . 1 1 138 138 LEU N N 138 117.210 117.210 120.004 -2.794 19974 9922 1 12 . 1 1 138 138 LEU HA H 138 4.960 4.960 4.797 0.163 19974 9923 1 12 . 1 1 138 138 LEU C C 138 173.560 173.560 174.606 -1.046 19974 9924 1 12 . 1 1 138 138 LEU CA C 138 50.310 50.310 51.528 -1.218 19974 9925 1 12 . 1 1 138 138 LEU CB C 138 41.350 41.350 42.996 -1.646 19974 9926 1 12 . 1 1 138 138 LEU H H 138 8.308 8.308 7.645 0.663 19974 9927 1 12 . 1 1 139 139 PRO HA H 139 4.335 4.335 4.671 -0.336 19974 9928 1 12 . 1 1 139 139 PRO C C 139 177.700 177.700 175.989 1.711 19974 9929 1 12 . 1 1 139 139 PRO CA C 139 62.550 62.550 61.851 0.699 19974 9930 1 12 . 1 1 139 139 PRO CB C 139 32.520 32.520 33.338 -0.818 19974 9931 1 12 . 1 1 140 140 ASN N N 140 120.930 120.930 117.207 3.723 19974 9932 1 12 . 1 1 140 140 ASN HA H 140 4.730 4.730 4.675 0.055 19974 9933 1 12 . 1 1 140 140 ASN C C 140 174.460 174.460 174.716 -0.256 19974 9934 1 12 . 1 1 140 140 ASN CA C 140 52.790 52.790 53.734 -0.945 19974 9935 1 12 . 1 1 140 140 ASN CB C 140 38.520 38.520 39.346 -0.826 19974 9936 1 12 . 1 1 140 140 ASN H H 140 9.213 9.213 8.638 0.575 19974 9937 1 12 . 1 1 141 141 THR N N 141 107.730 107.730 116.066 -8.336 19974 9938 1 12 . 1 1 141 141 THR HA H 141 3.853 3.853 4.179 -0.326 19974 9939 1 12 . 1 1 141 141 THR C C 141 176.410 176.410 174.352 2.058 19974 9940 1 12 . 1 1 141 141 THR CA C 141 61.560 61.560 63.250 -1.690 19974 9941 1 12 . 1 1 141 141 THR CB C 141 69.450 69.450 69.513 -0.063 19974 9942 1 12 . 1 1 141 141 THR H H 141 7.003 7.003 7.568 -0.565 19974 9943 1 12 . 1 1 142 142 ILE N N 142 129.530 129.530 125.518 4.012 19974 9944 1 12 . 1 1 142 142 ILE HA H 142 3.976 3.976 3.803 0.173 19974 9945 1 12 . 1 1 142 142 ILE C C 142 176.020 176.020 176.326 -0.306 19974 9946 1 12 . 1 1 142 142 ILE CA C 142 62.150 62.150 62.536 -0.386 19974 9947 1 12 . 1 1 142 142 ILE CB C 142 37.890 37.890 38.267 -0.377 19974 9948 1 12 . 1 1 142 142 ILE H H 142 9.030 9.030 8.570 0.460 19974 9949 1 12 . 1 1 143 143 SER N N 143 124.630 124.630 123.223 1.407 19974 9950 1 12 . 1 1 143 143 SER HA H 143 4.481 4.481 4.892 -0.411 19974 9951 1 12 . 1 1 143 143 SER C C 143 172.920 172.920 172.755 0.165 19974 9952 1 12 . 1 1 143 143 SER CA C 143 57.120 57.120 58.126 -1.006 19974 9953 1 12 . 1 1 143 143 SER CB C 143 60.710 60.710 64.609 -3.900 19974 9954 1 12 . 1 1 143 143 SER H H 143 8.709 8.709 8.767 -0.058 19974 9955 1 12 . 1 1 144 144 LYS N N 144 126.170 126.170 119.358 6.812 19974 9956 1 12 . 1 1 144 144 LYS HA H 144 4.954 4.954 4.879 0.075 19974 9957 1 12 . 1 1 144 144 LYS C C 144 175.910 175.910 175.218 0.692 19974 9958 1 12 . 1 1 144 144 LYS CA C 144 54.580 54.580 54.665 -0.085 19974 9959 1 12 . 1 1 144 144 LYS CB C 144 35.170 35.170 35.613 -0.443 19974 9960 1 12 . 1 1 144 144 LYS H H 144 8.043 8.043 8.192 -0.149 19974 9961 1 13 . 1 1 3 3 LYS HA H 3 4.317 4.317 3.963 0.354 19974 9962 1 13 . 1 1 3 3 LYS C C 3 176.840 176.840 178.751 -1.911 19974 9963 1 13 . 1 1 3 3 LYS CA C 3 56.180 56.180 58.774 -2.594 19974 9964 1 13 . 1 1 3 3 LYS CB C 3 33.030 33.030 32.397 0.633 19974 9965 1 13 . 1 1 4 4 ILE N N 4 122.990 122.990 119.918 3.072 19974 9966 1 13 . 1 1 4 4 ILE HA H 4 3.919 3.919 4.008 -0.089 19974 9967 1 13 . 1 1 4 4 ILE C C 4 176.120 176.120 177.981 -1.861 19974 9968 1 13 . 1 1 4 4 ILE CA C 4 61.530 61.530 64.353 -2.823 19974 9969 1 13 . 1 1 4 4 ILE CB C 4 38.040 38.040 37.981 0.059 19974 9970 1 13 . 1 1 4 4 ILE H H 4 8.391 8.391 7.595 0.796 19974 9971 1 13 . 1 1 5 5 GLU N N 5 123.430 123.430 117.287 6.143 19974 9972 1 13 . 1 1 5 5 GLU HA H 5 4.116 4.116 4.332 -0.216 19974 9973 1 13 . 1 1 5 5 GLU C C 5 175.830 175.830 178.228 -2.398 19974 9974 1 13 . 1 1 5 5 GLU CA C 5 56.900 56.900 57.619 -0.719 19974 9975 1 13 . 1 1 5 5 GLU CB C 5 29.350 29.350 29.659 -0.309 19974 9976 1 13 . 1 1 5 5 GLU H H 5 8.508 8.508 7.809 0.699 19974 9977 1 13 . 1 1 6 6 GLU N N 6 119.490 119.490 119.321 0.169 19974 9978 1 13 . 1 1 6 6 GLU HA H 6 4.128 4.128 4.081 0.047 19974 9979 1 13 . 1 1 6 6 GLU C C 6 176.270 176.270 177.324 -1.054 19974 9980 1 13 . 1 1 6 6 GLU CA C 6 55.700 55.700 58.191 -2.491 19974 9981 1 13 . 1 1 6 6 GLU CB C 6 30.190 30.190 28.823 1.367 19974 9982 1 13 . 1 1 6 6 GLU H H 6 7.843 7.843 7.606 0.237 19974 9983 1 13 . 1 1 7 7 PHE N N 7 121.090 121.090 116.966 4.124 19974 9984 1 13 . 1 1 7 7 PHE HA H 7 4.284 4.284 4.382 -0.098 19974 9985 1 13 . 1 1 7 7 PHE C C 7 174.810 174.810 175.730 -0.920 19974 9986 1 13 . 1 1 7 7 PHE CA C 7 59.660 59.660 60.223 -0.563 19974 9987 1 13 . 1 1 7 7 PHE CB C 7 39.990 39.990 39.978 0.012 19974 9988 1 13 . 1 1 7 7 PHE H H 7 8.092 8.092 7.466 0.626 19974 9989 1 13 . 1 1 8 8 LEU N N 8 116.700 116.700 117.234 -0.534 19974 9990 1 13 . 1 1 8 8 LEU HA H 8 4.792 4.792 4.979 -0.187 19974 9991 1 13 . 1 1 8 8 LEU C C 8 176.940 176.940 175.573 1.367 19974 9992 1 13 . 1 1 8 8 LEU CA C 8 52.730 52.730 52.844 -0.115 19974 9993 1 13 . 1 1 8 8 LEU CB C 8 45.650 45.650 45.361 0.289 19974 9994 1 13 . 1 1 8 8 LEU H H 8 7.721 7.721 7.350 0.371 19974 9995 1 13 . 1 1 9 9 THR N N 9 113.700 113.700 111.677 2.023 19974 9996 1 13 . 1 1 9 9 THR HA H 9 4.397 4.397 4.355 0.042 19974 9997 1 13 . 1 1 9 9 THR C C 9 175.410 175.410 176.466 -1.056 19974 9998 1 13 . 1 1 9 9 THR CA C 9 60.650 60.650 60.723 -0.073 19974 9999 1 13 . 1 1 9 9 THR CB C 9 70.800 70.800 71.235 -0.435 19974 10000 1 13 . 1 1 9 9 THR H H 9 9.224 9.224 7.542 1.682 19974 10001 1 13 . 1 1 10 10 ALA N N 10 123.350 123.350 126.252 -2.902 19974 10002 1 13 . 1 1 10 10 ALA HA H 10 4.036 4.036 3.988 0.048 19974 10003 1 13 . 1 1 10 10 ALA C C 10 181.050 181.050 179.330 1.720 19974 10004 1 13 . 1 1 10 10 ALA CA C 10 55.500 55.500 55.234 0.266 19974 10005 1 13 . 1 1 10 10 ALA CB C 10 17.914 17.914 18.663 -0.749 19974 10006 1 13 . 1 1 10 10 ALA H H 10 8.881 8.881 8.844 0.037 19974 10007 1 13 . 1 1 11 11 GLU N N 11 117.680 117.680 118.513 -0.833 19974 10008 1 13 . 1 1 11 11 GLU HA H 11 3.949 3.949 4.000 -0.051 19974 10009 1 13 . 1 1 11 11 GLU C C 11 179.500 179.500 179.306 0.194 19974 10010 1 13 . 1 1 11 11 GLU CA C 11 59.490 59.490 59.564 -0.074 19974 10011 1 13 . 1 1 11 11 GLU CB C 11 29.120 29.120 29.383 -0.263 19974 10012 1 13 . 1 1 11 11 GLU H H 11 8.460 8.460 8.383 0.077 19974 10013 1 13 . 1 1 12 12 GLU N N 12 121.860 121.860 119.944 1.916 19974 10014 1 13 . 1 1 12 12 GLU HA H 12 3.818 3.818 4.075 -0.257 19974 10015 1 13 . 1 1 12 12 GLU C C 12 178.130 178.130 179.114 -0.984 19974 10016 1 13 . 1 1 12 12 GLU CA C 12 59.210 59.210 59.366 -0.156 19974 10017 1 13 . 1 1 12 12 GLU CB C 12 30.800 30.800 29.691 1.109 19974 10018 1 13 . 1 1 12 12 GLU H H 12 7.698 7.698 7.610 0.088 19974 10019 1 13 . 1 1 13 13 GLU N N 13 118.170 118.170 119.550 -1.380 19974 10020 1 13 . 1 1 13 13 GLU HA H 13 3.640 3.640 4.024 -0.384 19974 10021 1 13 . 1 1 13 13 GLU C C 13 178.070 178.070 178.656 -0.586 19974 10022 1 13 . 1 1 13 13 GLU CA C 13 60.539 60.539 59.314 1.225 19974 10023 1 13 . 1 1 13 13 GLU CB C 13 29.130 29.130 29.541 -0.411 19974 10024 1 13 . 1 1 13 13 GLU H H 13 8.493 8.493 8.583 -0.090 19974 10025 1 13 . 1 1 14 14 LYS N N 14 117.980 117.980 120.040 -2.060 19974 10026 1 13 . 1 1 14 14 LYS HA H 14 3.887 3.887 3.976 -0.089 19974 10027 1 13 . 1 1 14 14 LYS C C 14 177.420 177.420 178.664 -1.244 19974 10028 1 13 . 1 1 14 14 LYS CA C 14 59.350 59.350 59.475 -0.125 19974 10029 1 13 . 1 1 14 14 LYS CB C 14 32.200 32.200 32.419 -0.219 19974 10030 1 13 . 1 1 14 14 LYS H H 14 7.650 7.650 8.051 -0.401 19974 10031 1 13 . 1 1 15 15 ALA N N 15 119.210 119.210 121.058 -1.848 19974 10032 1 13 . 1 1 15 15 ALA HA H 15 4.098 4.098 4.117 -0.019 19974 10033 1 13 . 1 1 15 15 ALA C C 15 180.550 180.550 179.999 0.551 19974 10034 1 13 . 1 1 15 15 ALA CA C 15 54.600 54.600 54.819 -0.219 19974 10035 1 13 . 1 1 15 15 ALA CB C 15 17.790 17.790 18.306 -0.516 19974 10036 1 13 . 1 1 15 15 ALA H H 15 7.362 7.362 7.656 -0.294 19974 10037 1 13 . 1 1 16 16 ILE N N 16 119.990 119.990 119.175 0.815 19974 10038 1 13 . 1 1 16 16 ILE HA H 16 3.493 3.493 3.789 -0.296 19974 10039 1 13 . 1 1 16 16 ILE C C 16 176.510 176.510 177.424 -0.914 19974 10040 1 13 . 1 1 16 16 ILE CA C 16 65.072 65.072 63.882 1.190 19974 10041 1 13 . 1 1 16 16 ILE CB C 16 37.580 37.580 38.456 -0.876 19974 10042 1 13 . 1 1 16 16 ILE H H 16 7.592 7.592 7.605 -0.013 19974 10043 1 13 . 1 1 17 17 VAL N N 17 121.520 121.520 121.625 -0.105 19974 10044 1 13 . 1 1 17 17 VAL HA H 17 3.504 3.504 3.508 -0.004 19974 10045 1 13 . 1 1 17 17 VAL C C 17 178.620 178.620 177.967 0.653 19974 10046 1 13 . 1 1 17 17 VAL CA C 17 67.324 67.324 66.922 0.402 19974 10047 1 13 . 1 1 17 17 VAL CB C 17 31.350 31.350 31.669 -0.319 19974 10048 1 13 . 1 1 17 17 VAL H H 17 8.155 8.155 8.319 -0.164 19974 10049 1 13 . 1 1 18 18 ASP N N 18 120.000 120.000 119.055 0.945 19974 10050 1 13 . 1 1 18 18 ASP HA H 18 4.223 4.223 4.355 -0.132 19974 10051 1 13 . 1 1 18 18 ASP C C 18 177.980 177.980 177.581 0.399 19974 10052 1 13 . 1 1 18 18 ASP CA C 18 57.050 57.050 57.360 -0.310 19974 10053 1 13 . 1 1 18 18 ASP CB C 18 39.410 39.410 40.734 -1.324 19974 10054 1 13 . 1 1 18 18 ASP H H 18 8.605 8.605 8.128 0.477 19974 10055 1 13 . 1 1 19 19 ALA N N 19 122.620 122.620 120.919 1.701 19974 10056 1 13 . 1 1 19 19 ALA HA H 19 4.194 4.194 4.125 0.069 19974 10057 1 13 . 1 1 19 19 ALA C C 19 180.720 180.720 179.517 1.203 19974 10058 1 13 . 1 1 19 19 ALA CA C 19 54.970 54.970 54.601 0.369 19974 10059 1 13 . 1 1 19 19 ALA CB C 19 17.850 17.850 18.663 -0.813 19974 10060 1 13 . 1 1 19 19 ALA H H 19 7.702 7.702 7.301 0.401 19974 10061 1 13 . 1 1 20 20 ILE N N 20 122.620 122.620 119.379 3.241 19974 10062 1 13 . 1 1 20 20 ILE HA H 20 3.309 3.309 3.558 -0.249 19974 10063 1 13 . 1 1 20 20 ILE C C 20 176.740 176.740 177.757 -1.017 19974 10064 1 13 . 1 1 20 20 ILE CA C 20 66.830 66.830 65.486 1.344 19974 10065 1 13 . 1 1 20 20 ILE CB C 20 38.140 38.140 37.681 0.459 19974 10066 1 13 . 1 1 20 20 ILE H H 20 8.234 8.234 7.470 0.764 19974 10067 1 13 . 1 1 21 21 ARG N N 21 119.660 119.660 119.232 0.428 19974 10068 1 13 . 1 1 21 21 ARG HA H 21 3.899 3.899 4.174 -0.275 19974 10069 1 13 . 1 1 21 21 ARG C C 21 179.540 179.540 178.979 0.561 19974 10070 1 13 . 1 1 21 21 ARG CA C 21 58.990 58.990 59.568 -0.578 19974 10071 1 13 . 1 1 21 21 ARG CB C 21 29.020 29.020 29.787 -0.767 19974 10072 1 13 . 1 1 21 21 ARG H H 21 8.212 8.212 7.859 0.353 19974 10073 1 13 . 1 1 22 22 ASP N N 22 118.640 118.640 117.958 0.682 19974 10074 1 13 . 1 1 22 22 ASP HA H 22 4.239 4.239 4.533 -0.294 19974 10075 1 13 . 1 1 22 22 ASP C C 22 179.190 179.190 177.855 1.335 19974 10076 1 13 . 1 1 22 22 ASP CA C 22 57.270 57.270 56.241 1.029 19974 10077 1 13 . 1 1 22 22 ASP CB C 22 39.770 39.770 40.548 -0.778 19974 10078 1 13 . 1 1 22 22 ASP H H 22 8.137 8.137 7.702 0.435 19974 10079 1 13 . 1 1 23 23 ALA N N 23 126.120 126.120 123.564 2.556 19974 10080 1 13 . 1 1 23 23 ALA HA H 23 4.207 4.207 4.083 0.124 19974 10081 1 13 . 1 1 23 23 ALA C C 23 181.060 181.060 178.981 2.079 19974 10082 1 13 . 1 1 23 23 ALA CA C 23 55.430 55.430 54.779 0.651 19974 10083 1 13 . 1 1 23 23 ALA CB C 23 18.690 18.690 18.643 0.047 19974 10084 1 13 . 1 1 23 23 ALA H H 23 8.500 8.500 7.804 0.696 19974 10085 1 13 . 1 1 24 24 GLU N N 24 115.460 115.460 115.464 -0.004 19974 10086 1 13 . 1 1 24 24 GLU HA H 24 4.213 4.213 4.304 -0.091 19974 10087 1 13 . 1 1 24 24 GLU C C 24 176.390 176.390 176.316 0.074 19974 10088 1 13 . 1 1 24 24 GLU CA C 24 58.180 58.180 56.626 1.554 19974 10089 1 13 . 1 1 24 24 GLU CB C 24 28.200 28.200 28.214 -0.014 19974 10090 1 13 . 1 1 24 24 GLU H H 24 8.451 8.451 8.058 0.393 19974 10091 1 13 . 1 1 25 25 LYS N N 25 115.790 115.790 116.839 -1.049 19974 10092 1 13 . 1 1 25 25 LYS HA H 25 3.739 3.739 4.264 -0.525 19974 10093 1 13 . 1 1 25 25 LYS C C 25 176.020 176.020 175.561 0.459 19974 10094 1 13 . 1 1 25 25 LYS CA C 25 56.220 56.220 55.829 0.391 19974 10095 1 13 . 1 1 25 25 LYS CB C 25 32.070 32.070 32.487 -0.417 19974 10096 1 13 . 1 1 25 25 LYS H H 25 7.083 7.083 7.202 -0.119 19974 10097 1 13 . 1 1 26 26 ASN N N 26 115.060 115.060 117.489 -2.429 19974 10098 1 13 . 1 1 26 26 ASN HA H 26 4.749 4.749 4.839 -0.090 19974 10099 1 13 . 1 1 26 26 ASN C C 26 174.280 174.280 174.358 -0.078 19974 10100 1 13 . 1 1 26 26 ASN CA C 26 53.050 53.050 53.642 -0.592 19974 10101 1 13 . 1 1 26 26 ASN CB C 26 40.410 40.410 41.336 -0.926 19974 10102 1 13 . 1 1 26 26 ASN H H 26 7.931 7.931 8.289 -0.358 19974 10103 1 13 . 1 1 27 27 THR N N 27 113.430 113.430 112.288 1.142 19974 10104 1 13 . 1 1 27 27 THR HA H 27 5.507 5.507 5.061 0.446 19974 10105 1 13 . 1 1 27 27 THR C C 27 170.850 170.850 173.120 -2.270 19974 10106 1 13 . 1 1 27 27 THR CA C 27 57.130 57.130 60.293 -3.163 19974 10107 1 13 . 1 1 27 27 THR CB C 27 70.200 70.200 69.868 0.332 19974 10108 1 13 . 1 1 27 27 THR H H 27 7.619 7.619 7.561 0.058 19974 10109 1 13 . 1 1 28 28 SER N N 28 119.450 119.450 116.615 2.835 19974 10110 1 13 . 1 1 28 28 SER HA H 28 4.773 4.773 4.818 -0.045 19974 10111 1 13 . 1 1 28 28 SER C C 28 176.330 176.330 174.822 1.508 19974 10112 1 13 . 1 1 28 28 SER CA C 28 58.913 58.913 57.378 1.535 19974 10113 1 13 . 1 1 28 28 SER CB C 28 64.360 64.360 64.731 -0.371 19974 10114 1 13 . 1 1 28 28 SER H H 28 7.706 7.706 8.660 -0.954 19974 10115 1 13 . 1 1 29 29 GLY N N 29 111.350 111.350 109.260 2.090 19974 10116 1 13 . 1 1 29 29 GLY C C 29 171.210 171.210 173.901 -2.691 19974 10117 1 13 . 1 1 29 29 GLY CA C 29 44.643 44.643 44.330 0.313 19974 10118 1 13 . 1 1 29 29 GLY H H 29 9.011 9.011 7.470 1.541 19974 10119 1 13 . 1 1 30 30 GLU N N 30 120.620 120.620 120.624 -0.004 19974 10120 1 13 . 1 1 30 30 GLU HA H 30 4.867 4.867 4.995 -0.128 19974 10121 1 13 . 1 1 30 30 GLU C C 30 174.500 174.500 175.453 -0.953 19974 10122 1 13 . 1 1 30 30 GLU CA C 30 54.320 54.320 55.453 -1.133 19974 10123 1 13 . 1 1 30 30 GLU CB C 30 34.030 34.030 33.862 0.168 19974 10124 1 13 . 1 1 30 30 GLU H H 30 6.897 6.897 8.189 -1.292 19974 10125 1 13 . 1 1 31 31 ILE N N 31 121.650 121.650 124.413 -2.763 19974 10126 1 13 . 1 1 31 31 ILE HA H 31 5.171 5.171 4.414 0.757 19974 10127 1 13 . 1 1 31 31 ILE C C 31 175.550 175.550 174.810 0.740 19974 10128 1 13 . 1 1 31 31 ILE CA C 31 59.740 59.740 60.666 -0.926 19974 10129 1 13 . 1 1 31 31 ILE CB C 31 42.520 42.520 39.136 3.384 19974 10130 1 13 . 1 1 31 31 ILE H H 31 8.546 8.546 9.019 -0.473 19974 10131 1 13 . 1 1 32 32 ARG N N 32 121.690 121.690 125.455 -3.765 19974 10132 1 13 . 1 1 32 32 ARG HA H 32 4.951 4.951 4.830 0.121 19974 10133 1 13 . 1 1 32 32 ARG C C 32 173.740 173.740 174.164 -0.424 19974 10134 1 13 . 1 1 32 32 ARG CA C 32 55.220 55.220 54.006 1.214 19974 10135 1 13 . 1 1 32 32 ARG CB C 32 34.720 34.720 34.732 -0.012 19974 10136 1 13 . 1 1 32 32 ARG H H 32 8.751 8.751 8.998 -0.247 19974 10137 1 13 . 1 1 33 33 VAL N N 33 120.770 120.770 121.076 -0.306 19974 10138 1 13 . 1 1 33 33 VAL HA H 33 4.972 4.972 4.554 0.418 19974 10139 1 13 . 1 1 33 33 VAL C C 33 173.790 173.790 173.825 -0.035 19974 10140 1 13 . 1 1 33 33 VAL CA C 33 59.700 59.700 61.508 -1.808 19974 10141 1 13 . 1 1 33 33 VAL CB C 33 34.820 34.820 34.901 -0.081 19974 10142 1 13 . 1 1 33 33 VAL H H 33 8.617 8.617 8.742 -0.125 19974 10143 1 13 . 1 1 34 34 HIS N N 34 125.000 125.000 127.239 -2.239 19974 10144 1 13 . 1 1 34 34 HIS HA H 34 5.743 5.743 5.161 0.582 19974 10145 1 13 . 1 1 34 34 HIS C C 34 172.790 172.790 173.379 -0.589 19974 10146 1 13 . 1 1 34 34 HIS CA C 34 54.370 54.370 53.847 0.523 19974 10147 1 13 . 1 1 34 34 HIS CB C 34 36.840 36.840 31.816 5.024 19974 10148 1 13 . 1 1 34 34 HIS H H 34 8.552 8.552 9.105 -0.553 19974 10149 1 13 . 1 1 35 35 LEU N N 35 124.400 124.400 128.971 -4.571 19974 10150 1 13 . 1 1 35 35 LEU HA H 35 4.800 4.800 4.604 0.196 19974 10151 1 13 . 1 1 35 35 LEU C C 35 174.490 174.490 174.237 0.253 19974 10152 1 13 . 1 1 35 35 LEU CA C 35 52.190 52.190 54.015 -1.825 19974 10153 1 13 . 1 1 35 35 LEU CB C 35 44.880 44.880 43.974 0.906 19974 10154 1 13 . 1 1 35 35 LEU H H 35 8.006 8.006 8.111 -0.105 19974 10155 1 13 . 1 1 36 36 GLU N N 36 116.112 116.112 125.037 -8.925 19974 10156 1 13 . 1 1 36 36 GLU HA H 36 4.573 4.573 4.497 0.076 19974 10157 1 13 . 1 1 36 36 GLU C C 36 174.350 174.350 175.172 -0.822 19974 10158 1 13 . 1 1 36 36 GLU CA C 36 54.130 54.130 54.829 -0.699 19974 10159 1 13 . 1 1 36 36 GLU CB C 36 31.960 31.960 33.539 -1.579 19974 10160 1 13 . 1 1 36 36 GLU H H 36 8.235 8.235 8.535 -0.300 19974 10161 1 13 . 1 1 37 37 LYS N N 37 121.210 121.210 120.279 0.931 19974 10162 1 13 . 1 1 37 37 LYS HA H 37 3.731 3.731 4.069 -0.338 19974 10163 1 13 . 1 1 37 37 LYS C C 37 175.200 175.200 176.446 -1.246 19974 10164 1 13 . 1 1 37 37 LYS CA C 37 61.410 61.410 59.518 1.892 19974 10165 1 13 . 1 1 37 37 LYS CB C 37 33.090 33.090 33.134 -0.044 19974 10166 1 13 . 1 1 37 37 LYS H H 37 9.055 9.055 8.423 0.632 19974 10167 1 13 . 1 1 38 38 THR N N 38 107.310 107.310 112.386 -5.076 19974 10168 1 13 . 1 1 38 38 THR HA H 38 4.448 4.448 4.668 -0.220 19974 10169 1 13 . 1 1 38 38 THR C C 38 171.420 171.420 173.508 -2.088 19974 10170 1 13 . 1 1 38 38 THR CA C 38 59.530 59.530 61.306 -1.776 19974 10171 1 13 . 1 1 38 38 THR CB C 38 69.570 69.570 71.810 -2.240 19974 10172 1 13 . 1 1 38 38 THR H H 38 7.480 7.480 7.974 -0.494 19974 10173 1 13 . 1 1 39 39 SER N N 39 116.050 116.050 119.087 -3.037 19974 10174 1 13 . 1 1 39 39 SER HA H 39 4.641 4.641 4.790 -0.148 19974 10175 1 13 . 1 1 39 39 SER C C 39 175.590 175.590 174.599 0.991 19974 10176 1 13 . 1 1 39 39 SER CA C 39 57.340 57.340 58.060 -0.721 19974 10177 1 13 . 1 1 39 39 SER CB C 39 64.560 64.560 64.379 0.181 19974 10178 1 13 . 1 1 39 39 SER H H 39 8.177 8.177 8.630 -0.453 19974 10179 1 13 . 1 1 40 40 GLU N N 40 124.630 124.630 120.640 3.990 19974 10180 1 13 . 1 1 40 40 GLU HA H 40 4.118 4.118 4.420 -0.302 19974 10181 1 13 . 1 1 40 40 GLU C C 40 176.520 176.520 176.559 -0.039 19974 10182 1 13 . 1 1 40 40 GLU CA C 40 58.100 58.100 56.965 1.135 19974 10183 1 13 . 1 1 40 40 GLU CB C 40 29.950 29.950 30.191 -0.240 19974 10184 1 13 . 1 1 40 40 GLU H H 40 8.905 8.905 8.627 0.278 19974 10185 1 13 . 1 1 41 41 ILE N N 41 113.290 113.290 114.741 -1.451 19974 10186 1 13 . 1 1 41 41 ILE HA H 41 4.460 4.460 4.375 0.085 19974 10187 1 13 . 1 1 41 41 ILE C C 41 175.350 175.350 175.067 0.283 19974 10188 1 13 . 1 1 41 41 ILE CA C 41 59.490 59.490 59.726 -0.236 19974 10189 1 13 . 1 1 41 41 ILE CB C 41 40.150 40.150 39.305 0.845 19974 10190 1 13 . 1 1 41 41 ILE H H 41 7.446 7.446 7.368 0.078 19974 10191 1 13 . 1 1 42 42 ASP N N 42 122.230 122.230 122.233 -0.003 19974 10192 1 13 . 1 1 42 42 ASP HA H 42 4.280 4.280 4.838 -0.558 19974 10193 1 13 . 1 1 42 42 ASP C C 42 177.430 177.430 177.077 0.353 19974 10194 1 13 . 1 1 42 42 ASP CA C 42 55.360 55.360 53.907 1.453 19974 10195 1 13 . 1 1 42 42 ASP CB C 42 42.690 42.690 41.947 0.743 19974 10196 1 13 . 1 1 42 42 ASP H H 42 8.271 8.271 8.388 -0.117 19974 10197 1 13 . 1 1 43 43 VAL N N 43 122.150 122.150 123.434 -1.284 19974 10198 1 13 . 1 1 43 43 VAL HA H 43 3.569 3.569 3.587 -0.018 19974 10199 1 13 . 1 1 43 43 VAL C C 43 175.780 175.780 177.750 -1.970 19974 10200 1 13 . 1 1 43 43 VAL CA C 43 65.420 65.420 65.328 0.092 19974 10201 1 13 . 1 1 43 43 VAL CB C 43 31.300 31.300 32.253 -0.953 19974 10202 1 13 . 1 1 43 43 VAL H H 43 8.160 8.160 8.586 -0.426 19974 10203 1 13 . 1 1 44 44 PHE N N 44 121.770 121.770 121.412 0.358 19974 10204 1 13 . 1 1 44 44 PHE HA H 44 3.892 3.892 4.140 -0.248 19974 10205 1 13 . 1 1 44 44 PHE C C 44 177.140 177.140 176.237 0.903 19974 10206 1 13 . 1 1 44 44 PHE CA C 44 62.190 62.190 61.490 0.699 19974 10207 1 13 . 1 1 44 44 PHE CB C 44 38.350 38.350 38.021 0.329 19974 10208 1 13 . 1 1 44 44 PHE H H 44 8.101 8.101 8.315 -0.214 19974 10209 1 13 . 1 1 45 45 ASP N N 45 119.540 119.540 118.828 0.712 19974 10210 1 13 . 1 1 45 45 ASP HA H 45 4.106 4.106 4.064 0.042 19974 10211 1 13 . 1 1 45 45 ASP C C 45 178.380 178.380 178.846 -0.466 19974 10212 1 13 . 1 1 45 45 ASP CA C 45 57.010 57.010 57.834 -0.824 19974 10213 1 13 . 1 1 45 45 ASP CB C 45 37.900 37.900 39.893 -1.993 19974 10214 1 13 . 1 1 45 45 ASP H H 45 7.317 7.317 8.426 -1.109 19974 10215 1 13 . 1 1 46 46 ARG N N 46 119.920 119.920 120.455 -0.535 19974 10216 1 13 . 1 1 46 46 ARG HA H 46 3.733 3.733 3.846 -0.113 19974 10217 1 13 . 1 1 46 46 ARG C C 46 176.750 176.750 178.015 -1.265 19974 10218 1 13 . 1 1 46 46 ARG CA C 46 57.136 57.136 59.142 -2.006 19974 10219 1 13 . 1 1 46 46 ARG CB C 46 28.590 28.590 30.067 -1.477 19974 10220 1 13 . 1 1 46 46 ARG H H 46 8.246 8.246 8.021 0.225 19974 10221 1 13 . 1 1 47 47 ALA N N 47 120.910 120.910 121.695 -0.785 19974 10222 1 13 . 1 1 47 47 ALA HA H 47 3.048 3.048 3.886 -0.838 19974 10223 1 13 . 1 1 47 47 ALA C C 47 177.810 177.810 179.477 -1.667 19974 10224 1 13 . 1 1 47 47 ALA CA C 47 55.010 55.010 54.840 0.169 19974 10225 1 13 . 1 1 47 47 ALA CB C 47 17.400 17.400 17.860 -0.460 19974 10226 1 13 . 1 1 47 47 ALA H H 47 7.803 7.803 7.951 -0.148 19974 10227 1 13 . 1 1 48 48 MET N N 48 115.800 115.800 118.439 -2.639 19974 10228 1 13 . 1 1 48 48 MET HA H 48 2.568 2.568 3.644 -1.076 19974 10229 1 13 . 1 1 48 48 MET C C 48 177.790 177.790 177.734 0.056 19974 10230 1 13 . 1 1 48 48 MET CA C 48 58.910 58.910 59.242 -0.332 19974 10231 1 13 . 1 1 48 48 MET CB C 48 32.750 32.750 32.179 0.571 19974 10232 1 13 . 1 1 48 48 MET H H 48 7.148 7.148 7.603 -0.455 19974 10233 1 13 . 1 1 49 49 ASP N N 49 121.130 121.130 119.681 1.449 19974 10234 1 13 . 1 1 49 49 ASP HA H 49 4.326 4.326 4.303 0.023 19974 10235 1 13 . 1 1 49 49 ASP C C 49 178.960 178.960 178.745 0.215 19974 10236 1 13 . 1 1 49 49 ASP CA C 49 57.330 57.330 57.576 -0.246 19974 10237 1 13 . 1 1 49 49 ASP CB C 49 40.180 40.180 40.823 -0.643 19974 10238 1 13 . 1 1 49 49 ASP H H 49 7.656 7.656 8.168 -0.512 19974 10239 1 13 . 1 1 50 50 VAL N N 50 122.030 122.030 119.954 2.076 19974 10240 1 13 . 1 1 50 50 VAL HA H 50 3.150 3.150 3.581 -0.431 19974 10241 1 13 . 1 1 50 50 VAL C C 50 176.610 176.610 177.714 -1.104 19974 10242 1 13 . 1 1 50 50 VAL CA C 50 66.980 66.980 66.365 0.615 19974 10243 1 13 . 1 1 50 50 VAL CB C 50 30.450 30.450 31.692 -1.242 19974 10244 1 13 . 1 1 50 50 VAL H H 50 8.506 8.506 8.201 0.305 19974 10245 1 13 . 1 1 51 51 PHE N N 51 120.010 120.010 121.043 -1.033 19974 10246 1 13 . 1 1 51 51 PHE HA H 51 3.701 3.701 4.164 -0.463 19974 10247 1 13 . 1 1 51 51 PHE C C 51 176.990 176.990 177.165 -0.175 19974 10248 1 13 . 1 1 51 51 PHE CA C 51 61.610 61.610 61.560 0.049 19974 10249 1 13 . 1 1 51 51 PHE CB C 51 39.350 39.350 39.368 -0.018 19974 10250 1 13 . 1 1 51 51 PHE H H 51 8.236 8.236 8.464 -0.228 19974 10251 1 13 . 1 1 52 52 HIS N N 52 114.400 114.400 116.392 -1.992 19974 10252 1 13 . 1 1 52 52 HIS HA H 52 4.322 4.322 4.232 0.090 19974 10253 1 13 . 1 1 52 52 HIS C C 52 179.389 179.389 178.247 1.142 19974 10254 1 13 . 1 1 52 52 HIS CA C 52 59.670 59.670 60.283 -0.613 19974 10255 1 13 . 1 1 52 52 HIS CB C 52 28.380 28.380 29.986 -1.606 19974 10256 1 13 . 1 1 52 52 HIS H H 52 7.595 7.595 8.623 -1.028 19974 10257 1 13 . 1 1 53 53 ASN N N 53 125.300 125.300 118.981 6.319 19974 10258 1 13 . 1 1 53 53 ASN HA H 53 4.346 4.346 4.566 -0.220 19974 10259 1 13 . 1 1 53 53 ASN C C 53 177.560 177.560 177.282 0.278 19974 10260 1 13 . 1 1 53 53 ASN CA C 53 56.260 56.260 55.558 0.702 19974 10261 1 13 . 1 1 53 53 ASN CB C 53 38.020 38.020 38.430 -0.410 19974 10262 1 13 . 1 1 53 53 ASN H H 53 9.216 9.216 8.536 0.680 19974 10263 1 13 . 1 1 54 54 LEU N N 54 117.070 117.070 117.734 -0.664 19974 10264 1 13 . 1 1 54 54 LEU HA H 54 4.114 4.114 4.253 -0.139 19974 10265 1 13 . 1 1 54 54 LEU C C 54 175.780 175.780 175.774 0.006 19974 10266 1 13 . 1 1 54 54 LEU CA C 54 54.400 54.400 55.066 -0.666 19974 10267 1 13 . 1 1 54 54 LEU CB C 54 42.810 42.810 41.940 0.870 19974 10268 1 13 . 1 1 54 54 LEU H H 54 8.270 8.270 7.718 0.552 19974 10269 1 13 . 1 1 55 55 LYS N N 55 116.580 116.580 114.676 1.904 19974 10270 1 13 . 1 1 55 55 LYS HA H 55 3.954 3.954 3.737 0.217 19974 10271 1 13 . 1 1 55 55 LYS C C 55 177.650 177.650 177.274 0.376 19974 10272 1 13 . 1 1 55 55 LYS CA C 55 56.630 56.630 57.234 -0.604 19974 10273 1 13 . 1 1 55 55 LYS CB C 55 28.110 28.110 29.689 -1.579 19974 10274 1 13 . 1 1 55 55 LYS H H 55 7.953 7.953 7.495 0.458 19974 10275 1 13 . 1 1 56 56 MET N N 56 114.460 114.460 116.259 -1.799 19974 10276 1 13 . 1 1 56 56 MET HA H 56 3.624 3.624 3.965 -0.341 19974 10277 1 13 . 1 1 56 56 MET C C 56 174.010 174.010 176.195 -2.185 19974 10278 1 13 . 1 1 56 56 MET CA C 56 56.800 56.800 58.248 -1.448 19974 10279 1 13 . 1 1 56 56 MET CB C 56 28.620 28.620 31.697 -3.076 19974 10280 1 13 . 1 1 56 56 MET H H 56 7.496 7.496 7.195 0.301 19974 10281 1 13 . 1 1 57 57 ASP N N 57 113.610 113.610 116.684 -3.074 19974 10282 1 13 . 1 1 57 57 ASP HA H 57 4.490 4.490 4.717 -0.227 19974 10283 1 13 . 1 1 57 57 ASP C C 57 176.060 176.060 176.738 -0.678 19974 10284 1 13 . 1 1 57 57 ASP CA C 57 53.030 53.030 53.467 -0.437 19974 10285 1 13 . 1 1 57 57 ASP CB C 57 38.940 38.940 39.964 -1.024 19974 10286 1 13 . 1 1 57 57 ASP H H 57 8.921 8.921 7.987 0.934 19974 10287 1 13 . 1 1 58 58 ASN N N 58 119.880 119.880 120.080 -0.200 19974 10288 1 13 . 1 1 58 58 ASN HA H 58 4.885 4.885 4.638 0.247 19974 10289 1 13 . 1 1 58 58 ASN C C 58 174.060 174.060 174.466 -0.406 19974 10290 1 13 . 1 1 58 58 ASN CA C 58 52.190 52.190 52.575 -0.385 19974 10291 1 13 . 1 1 58 58 ASN CB C 58 37.230 37.230 37.411 -0.181 19974 10292 1 13 . 1 1 58 58 ASN H H 58 7.070 7.070 7.468 -0.398 19974 10293 1 13 . 1 1 59 59 THR N N 59 108.570 108.570 111.694 -3.124 19974 10294 1 13 . 1 1 59 59 THR HA H 59 4.449 4.449 4.658 -0.209 19974 10295 1 13 . 1 1 59 59 THR C C 59 175.810 175.810 175.525 0.285 19974 10296 1 13 . 1 1 59 59 THR CA C 59 59.600 59.600 59.796 -0.196 19974 10297 1 13 . 1 1 59 59 THR CB C 59 70.900 70.900 71.748 -0.847 19974 10298 1 13 . 1 1 59 59 THR H H 59 7.636 7.636 7.722 -0.086 19974 10299 1 13 . 1 1 60 60 LYS N N 60 126.400 126.400 123.809 2.591 19974 10300 1 13 . 1 1 60 60 LYS HA H 60 3.923 3.923 4.180 -0.257 19974 10301 1 13 . 1 1 60 60 LYS C C 60 179.030 179.030 176.982 2.048 19974 10302 1 13 . 1 1 60 60 LYS CA C 60 59.600 59.600 59.093 0.507 19974 10303 1 13 . 1 1 60 60 LYS CB C 60 32.480 32.480 32.307 0.173 19974 10304 1 13 . 1 1 60 60 LYS H H 60 10.322 10.322 8.907 1.415 19974 10305 1 13 . 1 1 61 61 LEU N N 61 114.780 114.780 116.991 -2.211 19974 10306 1 13 . 1 1 61 61 LEU HA H 61 4.430 4.430 4.526 -0.096 19974 10307 1 13 . 1 1 61 61 LEU C C 61 175.660 175.660 176.042 -0.382 19974 10308 1 13 . 1 1 61 61 LEU CA C 61 52.830 52.830 54.074 -1.244 19974 10309 1 13 . 1 1 61 61 LEU CB C 61 40.470 40.470 41.998 -1.528 19974 10310 1 13 . 1 1 61 61 LEU H H 61 8.555 8.555 7.590 0.965 19974 10311 1 13 . 1 1 62 62 GLN N N 62 116.490 116.490 115.239 1.251 19974 10312 1 13 . 1 1 62 62 GLN HA H 62 3.715 3.715 3.997 -0.282 19974 10313 1 13 . 1 1 62 62 GLN C C 62 175.060 175.060 174.728 0.332 19974 10314 1 13 . 1 1 62 62 GLN CA C 62 56.440 56.440 56.735 -0.295 19974 10315 1 13 . 1 1 62 62 GLN CB C 62 26.480 26.480 26.121 0.359 19974 10316 1 13 . 1 1 62 62 GLN H H 62 7.526 7.526 7.843 -0.317 19974 10317 1 13 . 1 1 63 63 ASN N N 63 114.760 114.760 115.494 -0.734 19974 10318 1 13 . 1 1 63 63 ASN HA H 63 4.352 4.352 4.868 -0.516 19974 10319 1 13 . 1 1 63 63 ASN C C 63 173.790 173.790 174.846 -1.056 19974 10320 1 13 . 1 1 63 63 ASN CA C 63 50.680 50.680 51.957 -1.277 19974 10321 1 13 . 1 1 63 63 ASN CB C 63 35.110 35.110 39.015 -3.905 19974 10322 1 13 . 1 1 63 63 ASN H H 63 8.243 8.243 7.765 0.478 19974 10323 1 13 . 1 1 64 64 GLY N N 64 105.820 105.820 108.206 -2.386 19974 10324 1 13 . 1 1 64 64 GLY C C 64 172.650 172.650 172.847 -0.197 19974 10325 1 13 . 1 1 64 64 GLY CA C 64 44.136 44.136 44.876 -0.740 19974 10326 1 13 . 1 1 64 64 GLY H H 64 8.618 8.618 7.744 0.874 19974 10327 1 13 . 1 1 65 65 VAL N N 65 120.490 120.490 126.484 -5.994 19974 10328 1 13 . 1 1 65 65 VAL HA H 65 4.814 4.814 4.323 0.491 19974 10329 1 13 . 1 1 65 65 VAL C C 65 172.610 172.610 174.260 -1.650 19974 10330 1 13 . 1 1 65 65 VAL CA C 65 60.890 60.890 61.797 -0.907 19974 10331 1 13 . 1 1 65 65 VAL CB C 65 35.570 35.570 34.044 1.526 19974 10332 1 13 . 1 1 65 65 VAL H H 65 9.053 9.053 9.257 -0.204 19974 10333 1 13 . 1 1 66 66 LEU N N 66 127.740 127.740 128.998 -1.258 19974 10334 1 13 . 1 1 66 66 LEU HA H 66 5.097 5.097 5.412 -0.315 19974 10335 1 13 . 1 1 66 66 LEU C C 66 175.120 175.120 174.769 0.351 19974 10336 1 13 . 1 1 66 66 LEU CA C 66 51.870 51.870 53.457 -1.587 19974 10337 1 13 . 1 1 66 66 LEU CB C 66 47.520 47.520 46.357 1.163 19974 10338 1 13 . 1 1 66 66 LEU H H 66 9.245 9.245 9.178 0.067 19974 10339 1 13 . 1 1 67 67 ILE N N 67 126.030 126.030 127.567 -1.537 19974 10340 1 13 . 1 1 67 67 ILE HA H 67 4.484 4.484 4.853 -0.369 19974 10341 1 13 . 1 1 67 67 ILE C C 67 173.290 173.290 175.019 -1.729 19974 10342 1 13 . 1 1 67 67 ILE CA C 67 61.090 61.090 60.280 0.810 19974 10343 1 13 . 1 1 67 67 ILE CB C 67 37.480 37.480 38.186 -0.706 19974 10344 1 13 . 1 1 67 67 ILE H H 67 8.974 8.974 8.917 0.057 19974 10345 1 13 . 1 1 68 68 TYR N N 68 129.400 129.400 130.191 -0.791 19974 10346 1 13 . 1 1 68 68 TYR HA H 68 4.887 4.887 5.239 -0.352 19974 10347 1 13 . 1 1 68 68 TYR C C 68 174.140 174.140 174.073 0.067 19974 10348 1 13 . 1 1 68 68 TYR CA C 68 56.990 56.990 57.449 -0.459 19974 10349 1 13 . 1 1 68 68 TYR CB C 68 40.790 40.790 39.431 1.359 19974 10350 1 13 . 1 1 68 68 TYR H H 68 8.999 8.999 8.989 0.010 19974 10351 1 13 . 1 1 69 69 VAL N N 69 126.790 126.790 128.851 -2.061 19974 10352 1 13 . 1 1 69 69 VAL HA H 69 4.401 4.401 4.505 -0.104 19974 10353 1 13 . 1 1 69 69 VAL C C 69 172.350 172.350 173.757 -1.407 19974 10354 1 13 . 1 1 69 69 VAL CA C 69 60.810 60.810 60.670 0.140 19974 10355 1 13 . 1 1 69 69 VAL CB C 69 34.360 34.360 34.891 -0.531 19974 10356 1 13 . 1 1 69 69 VAL H H 69 8.378 8.378 8.338 0.040 19974 10357 1 13 . 1 1 70 70 ALA N N 70 129.770 129.770 129.923 -0.153 19974 10358 1 13 . 1 1 70 70 ALA HA H 70 4.592 4.592 5.075 -0.483 19974 10359 1 13 . 1 1 70 70 ALA C C 70 177.620 177.620 178.080 -0.460 19974 10360 1 13 . 1 1 70 70 ALA CA C 70 49.210 49.210 50.035 -0.825 19974 10361 1 13 . 1 1 70 70 ALA CB C 70 17.470 17.470 19.150 -1.680 19974 10362 1 13 . 1 1 70 70 ALA H H 70 8.078 8.078 8.313 -0.235 19974 10363 1 13 . 1 1 71 71 VAL N N 71 120.880 120.880 119.361 1.519 19974 10364 1 13 . 1 1 71 71 VAL HA H 71 2.847 2.847 3.575 -0.728 19974 10365 1 13 . 1 1 71 71 VAL C C 71 178.310 178.310 176.626 1.684 19974 10366 1 13 . 1 1 71 71 VAL CA C 71 66.030 66.030 64.489 1.541 19974 10367 1 13 . 1 1 71 71 VAL CB C 71 32.110 32.110 31.165 0.945 19974 10368 1 13 . 1 1 71 71 VAL H H 71 8.597 8.597 8.651 -0.054 19974 10369 1 13 . 1 1 72 72 GLU N N 72 119.350 119.350 122.171 -2.821 19974 10370 1 13 . 1 1 72 72 GLU HA H 72 3.955 3.955 4.203 -0.248 19974 10371 1 13 . 1 1 72 72 GLU C C 72 177.650 177.650 178.209 -0.559 19974 10372 1 13 . 1 1 72 72 GLU CA C 72 59.260 59.260 58.505 0.754 19974 10373 1 13 . 1 1 72 72 GLU CB C 72 28.940 28.940 29.663 -0.723 19974 10374 1 13 . 1 1 72 72 GLU H H 72 9.107 9.107 7.970 1.137 19974 10375 1 13 . 1 1 73 73 ASP N N 73 115.250 115.250 116.873 -1.623 19974 10376 1 13 . 1 1 73 73 ASP HA H 73 4.544 4.544 4.618 -0.074 19974 10377 1 13 . 1 1 73 73 ASP C C 73 175.460 175.460 176.757 -1.297 19974 10378 1 13 . 1 1 73 73 ASP CA C 73 54.030 54.030 53.877 0.152 19974 10379 1 13 . 1 1 73 73 ASP CB C 73 41.350 41.350 41.087 0.263 19974 10380 1 13 . 1 1 73 73 ASP H H 73 7.039 7.039 8.066 -1.027 19974 10381 1 13 . 1 1 74 74 LYS N N 74 115.850 115.850 117.651 -1.801 19974 10382 1 13 . 1 1 74 74 LYS HA H 74 3.502 3.502 3.944 -0.442 19974 10383 1 13 . 1 1 74 74 LYS C C 74 174.920 174.920 175.510 -0.590 19974 10384 1 13 . 1 1 74 74 LYS CA C 74 57.180 57.180 57.482 -0.302 19974 10385 1 13 . 1 1 74 74 LYS CB C 74 29.100 29.100 30.627 -1.527 19974 10386 1 13 . 1 1 74 74 LYS H H 74 8.012 8.012 8.134 -0.122 19974 10387 1 13 . 1 1 75 75 THR N N 75 111.710 111.710 109.098 2.612 19974 10388 1 13 . 1 1 75 75 THR HA H 75 4.725 4.725 4.916 -0.191 19974 10389 1 13 . 1 1 75 75 THR C C 75 172.150 172.150 173.082 -0.932 19974 10390 1 13 . 1 1 75 75 THR CA C 75 60.740 60.740 60.285 0.455 19974 10391 1 13 . 1 1 75 75 THR CB C 75 70.900 70.900 71.344 -0.444 19974 10392 1 13 . 1 1 75 75 THR H H 75 7.763 7.763 8.240 -0.477 19974 10393 1 13 . 1 1 76 76 PHE N N 76 117.220 117.220 117.123 0.097 19974 10394 1 13 . 1 1 76 76 PHE HA H 76 5.968 5.968 5.497 0.471 19974 10395 1 13 . 1 1 76 76 PHE C C 76 173.250 173.250 173.711 -0.461 19974 10396 1 13 . 1 1 76 76 PHE CA C 76 54.920 54.920 56.277 -1.357 19974 10397 1 13 . 1 1 76 76 PHE CB C 76 42.780 42.780 41.801 0.979 19974 10398 1 13 . 1 1 76 76 PHE H H 76 7.992 7.992 7.958 0.034 19974 10399 1 13 . 1 1 77 77 VAL N N 77 120.030 120.030 122.908 -2.878 19974 10400 1 13 . 1 1 77 77 VAL HA H 77 4.015 4.015 4.457 -0.442 19974 10401 1 13 . 1 1 77 77 VAL C C 77 173.310 173.310 174.503 -1.193 19974 10402 1 13 . 1 1 77 77 VAL CA C 77 60.840 60.840 61.106 -0.266 19974 10403 1 13 . 1 1 77 77 VAL CB C 77 37.410 37.410 35.712 1.698 19974 10404 1 13 . 1 1 77 77 VAL H H 77 9.447 9.447 9.309 0.138 19974 10405 1 13 . 1 1 78 78 ILE N N 78 125.240 125.240 125.995 -0.755 19974 10406 1 13 . 1 1 78 78 ILE HA H 78 4.433 4.433 5.026 -0.593 19974 10407 1 13 . 1 1 78 78 ILE C C 78 174.090 174.090 175.161 -1.071 19974 10408 1 13 . 1 1 78 78 ILE CA C 78 60.081 60.081 60.345 -0.264 19974 10409 1 13 . 1 1 78 78 ILE CB C 78 38.340 38.340 40.135 -1.795 19974 10410 1 13 . 1 1 78 78 ILE H H 78 8.155 8.155 8.569 -0.414 19974 10411 1 13 . 1 1 79 79 TYR N N 79 130.130 130.130 128.052 2.078 19974 10412 1 13 . 1 1 79 79 TYR HA H 79 4.422 4.422 5.038 -0.616 19974 10413 1 13 . 1 1 79 79 TYR C C 79 172.740 172.740 173.436 -0.696 19974 10414 1 13 . 1 1 79 79 TYR CA C 79 57.390 57.390 57.034 0.356 19974 10415 1 13 . 1 1 79 79 TYR CB C 79 40.820 40.820 42.631 -1.811 19974 10416 1 13 . 1 1 79 79 TYR H H 79 9.328 9.328 9.365 -0.037 19974 10417 1 13 . 1 1 80 80 GLY N N 80 114.140 114.140 113.766 0.374 19974 10418 1 13 . 1 1 80 80 GLY C C 80 171.090 171.090 172.701 -1.611 19974 10419 1 13 . 1 1 80 80 GLY CA C 80 42.860 42.860 43.217 -0.356 19974 10420 1 13 . 1 1 80 80 GLY H H 80 7.837 7.837 8.050 -0.213 19974 10421 1 13 . 1 1 81 81 ASP N N 81 115.660 115.660 122.365 -6.705 19974 10422 1 13 . 1 1 81 81 ASP HA H 81 4.248 4.248 4.273 -0.025 19974 10423 1 13 . 1 1 81 81 ASP C C 81 176.980 176.980 177.739 -0.759 19974 10424 1 13 . 1 1 81 81 ASP CA C 81 51.950 51.950 53.157 -1.207 19974 10425 1 13 . 1 1 81 81 ASP CB C 81 41.260 41.260 43.339 -2.079 19974 10426 1 13 . 1 1 81 81 ASP H H 81 7.633 7.633 8.376 -0.743 19974 10427 1 13 . 1 1 82 82 LYS N N 82 120.470 120.470 122.369 -1.899 19974 10428 1 13 . 1 1 82 82 LYS HA H 82 3.764 3.764 3.956 -0.192 19974 10429 1 13 . 1 1 82 82 LYS C C 82 176.350 176.350 178.623 -2.273 19974 10430 1 13 . 1 1 82 82 LYS CA C 82 59.290 59.290 59.713 -0.423 19974 10431 1 13 . 1 1 82 82 LYS CB C 82 33.720 33.720 32.404 1.316 19974 10432 1 13 . 1 1 82 82 LYS H H 82 9.212 9.212 8.646 0.566 19974 10433 1 13 . 1 1 83 83 GLY N N 83 105.260 105.260 106.701 -1.441 19974 10434 1 13 . 1 1 83 83 GLY C C 83 176.540 176.540 175.510 1.030 19974 10435 1 13 . 1 1 83 83 GLY CA C 83 46.260 46.260 46.700 -0.440 19974 10436 1 13 . 1 1 83 83 GLY H H 83 8.367 8.367 8.189 0.178 19974 10437 1 13 . 1 1 84 84 ILE N N 84 117.510 117.510 121.941 -4.431 19974 10438 1 13 . 1 1 84 84 ILE HA H 84 3.644 3.644 3.754 -0.110 19974 10439 1 13 . 1 1 84 84 ILE C C 84 177.010 177.010 177.482 -0.472 19974 10440 1 13 . 1 1 84 84 ILE CA C 84 63.636 63.636 65.231 -1.595 19974 10441 1 13 . 1 1 84 84 ILE CB C 84 38.820 38.820 38.060 0.760 19974 10442 1 13 . 1 1 84 84 ILE H H 84 7.040 7.040 7.574 -0.534 19974 10443 1 13 . 1 1 85 85 ASN N N 85 117.400 117.400 118.232 -0.832 19974 10444 1 13 . 1 1 85 85 ASN HA H 85 4.115 4.115 4.336 -0.221 19974 10445 1 13 . 1 1 85 85 ASN C C 85 176.600 176.600 176.850 -0.250 19974 10446 1 13 . 1 1 85 85 ASN CA C 85 55.840 55.840 55.860 -0.020 19974 10447 1 13 . 1 1 85 85 ASN CB C 85 37.720 37.720 37.919 -0.199 19974 10448 1 13 . 1 1 85 85 ASN H H 85 7.351 7.351 7.776 -0.425 19974 10449 1 13 . 1 1 86 86 ASP N N 86 115.890 115.890 117.796 -1.906 19974 10450 1 13 . 1 1 86 86 ASP HA H 86 4.391 4.391 4.664 -0.273 19974 10451 1 13 . 1 1 86 86 ASP C C 86 177.240 177.240 177.156 0.084 19974 10452 1 13 . 1 1 86 86 ASP CA C 86 56.260 56.260 55.742 0.518 19974 10453 1 13 . 1 1 86 86 ASP CB C 86 41.200 41.200 41.047 0.153 19974 10454 1 13 . 1 1 86 86 ASP H H 86 8.377 8.377 8.282 0.095 19974 10455 1 13 . 1 1 87 87 VAL N N 87 109.640 109.640 117.417 -7.777 19974 10456 1 13 . 1 1 87 87 VAL HA H 87 4.473 4.473 4.192 0.281 19974 10457 1 13 . 1 1 87 87 VAL C C 87 175.780 175.780 175.743 0.037 19974 10458 1 13 . 1 1 87 87 VAL CA C 87 61.320 61.320 62.650 -1.330 19974 10459 1 13 . 1 1 87 87 VAL CB C 87 34.170 34.170 33.615 0.554 19974 10460 1 13 . 1 1 87 87 VAL H H 87 7.196 7.196 7.632 -0.436 19974 10461 1 13 . 1 1 88 88 VAL N N 88 113.200 113.200 114.911 -1.711 19974 10462 1 13 . 1 1 88 88 VAL HA H 88 3.789 3.789 4.108 -0.319 19974 10463 1 13 . 1 1 88 88 VAL C C 88 175.760 175.760 174.420 1.340 19974 10464 1 13 . 1 1 88 88 VAL CA C 88 60.640 60.640 59.397 1.243 19974 10465 1 13 . 1 1 88 88 VAL CB C 88 32.970 32.970 33.310 -0.340 19974 10466 1 13 . 1 1 88 88 VAL H H 88 6.921 6.921 7.792 -0.871 19974 10467 1 13 . 1 1 89 89 SER N N 89 114.460 114.460 115.291 -0.831 19974 10468 1 13 . 1 1 89 89 SER HA H 89 4.546 4.546 4.676 -0.130 19974 10469 1 13 . 1 1 89 89 SER C C 89 175.720 175.720 175.049 0.671 19974 10470 1 13 . 1 1 89 89 SER CA C 89 57.330 57.330 56.545 0.784 19974 10471 1 13 . 1 1 89 89 SER CB C 89 64.500 64.500 65.309 -0.809 19974 10472 1 13 . 1 1 89 89 SER H H 89 7.738 7.738 8.374 -0.636 19974 10473 1 13 . 1 1 90 90 ASP N N 90 120.250 120.250 121.956 -1.706 19974 10474 1 13 . 1 1 90 90 ASP HA H 90 4.361 4.361 4.477 -0.116 19974 10475 1 13 . 1 1 90 90 ASP C C 90 176.630 176.630 177.735 -1.105 19974 10476 1 13 . 1 1 90 90 ASP CA C 90 57.050 57.050 57.034 0.016 19974 10477 1 13 . 1 1 90 90 ASP CB C 90 40.540 40.540 40.809 -0.269 19974 10478 1 13 . 1 1 90 90 ASP H H 90 8.687 8.687 8.899 -0.212 19974 10479 1 13 . 1 1 91 91 ASP N N 91 116.800 116.800 118.169 -1.369 19974 10480 1 13 . 1 1 91 91 ASP HA H 91 4.605 4.605 4.604 0.001 19974 10481 1 13 . 1 1 91 91 ASP C C 91 177.610 177.610 178.240 -0.630 19974 10482 1 13 . 1 1 91 91 ASP CA C 91 52.890 52.890 57.094 -4.205 19974 10483 1 13 . 1 1 91 91 ASP CB C 91 40.230 40.230 40.781 -0.551 19974 10484 1 13 . 1 1 91 91 ASP H H 91 8.250 8.250 8.688 -0.438 19974 10485 1 13 . 1 1 92 92 PHE N N 92 122.130 122.130 121.961 0.169 19974 10486 1 13 . 1 1 92 92 PHE HA H 92 3.857 3.857 4.343 -0.486 19974 10487 1 13 . 1 1 92 92 PHE C C 92 177.040 177.040 176.417 0.623 19974 10488 1 13 . 1 1 92 92 PHE CA C 92 61.910 61.910 61.312 0.598 19974 10489 1 13 . 1 1 92 92 PHE CB C 92 40.696 40.696 39.465 1.231 19974 10490 1 13 . 1 1 92 92 PHE H H 92 7.564 7.564 7.738 -0.174 19974 10491 1 13 . 1 1 93 93 TRP N N 93 113.980 113.980 120.469 -6.489 19974 10492 1 13 . 1 1 93 93 TRP HA H 93 4.726 4.726 4.530 0.196 19974 10493 1 13 . 1 1 93 93 TRP C C 93 176.420 176.420 178.574 -2.154 19974 10494 1 13 . 1 1 93 93 TRP CA C 93 56.020 56.020 60.289 -4.269 19974 10495 1 13 . 1 1 93 93 TRP CB C 93 29.990 29.990 28.959 1.031 19974 10496 1 13 . 1 1 93 93 TRP H H 93 8.532 8.532 8.225 0.307 19974 10497 1 13 . 1 1 94 94 ASP N N 94 122.120 122.120 118.910 3.210 19974 10498 1 13 . 1 1 94 94 ASP HA H 94 4.228 4.228 4.440 -0.212 19974 10499 1 13 . 1 1 94 94 ASP C C 94 178.550 178.550 178.511 0.039 19974 10500 1 13 . 1 1 94 94 ASP CA C 94 59.120 59.120 57.841 1.279 19974 10501 1 13 . 1 1 94 94 ASP CB C 94 39.140 39.140 40.356 -1.216 19974 10502 1 13 . 1 1 94 94 ASP H H 94 7.904 7.904 8.793 -0.889 19974 10503 1 13 . 1 1 95 95 THR N N 95 111.200 111.200 112.171 -0.971 19974 10504 1 13 . 1 1 95 95 THR HA H 95 4.004 4.004 3.999 0.005 19974 10505 1 13 . 1 1 95 95 THR C C 95 177.630 177.630 176.515 1.115 19974 10506 1 13 . 1 1 95 95 THR CA C 95 65.560 65.560 65.975 -0.415 19974 10507 1 13 . 1 1 95 95 THR CB C 95 68.230 68.230 68.722 -0.492 19974 10508 1 13 . 1 1 95 95 THR H H 95 8.559 8.559 7.587 0.972 19974 10509 1 13 . 1 1 96 96 THR N N 96 123.230 123.230 118.572 4.658 19974 10510 1 13 . 1 1 96 96 THR HA H 96 3.725 3.725 3.845 -0.120 19974 10511 1 13 . 1 1 96 96 THR C C 96 175.410 175.410 176.595 -1.185 19974 10512 1 13 . 1 1 96 96 THR CA C 96 68.286 68.286 66.675 1.611 19974 10513 1 13 . 1 1 96 96 THR CB C 96 68.200 68.200 68.441 -0.241 19974 10514 1 13 . 1 1 96 96 THR H H 96 7.991 7.991 7.360 0.631 19974 10515 1 13 . 1 1 97 97 ARG N N 97 119.960 119.960 121.257 -1.297 19974 10516 1 13 . 1 1 97 97 ARG HA H 97 3.829 3.829 4.136 -0.307 19974 10517 1 13 . 1 1 97 97 ARG C C 97 178.320 178.320 178.849 -0.529 19974 10518 1 13 . 1 1 97 97 ARG CA C 97 60.390 60.390 60.031 0.359 19974 10519 1 13 . 1 1 97 97 ARG CB C 97 29.870 29.870 30.297 -0.427 19974 10520 1 13 . 1 1 97 97 ARG H H 97 8.825 8.825 8.092 0.733 19974 10521 1 13 . 1 1 98 98 ASN N N 98 115.680 115.680 118.244 -2.564 19974 10522 1 13 . 1 1 98 98 ASN HA H 98 4.390 4.390 4.483 -0.093 19974 10523 1 13 . 1 1 98 98 ASN C C 98 176.620 176.620 177.624 -1.004 19974 10524 1 13 . 1 1 98 98 ASN CA C 98 56.050 56.050 56.020 0.030 19974 10525 1 13 . 1 1 98 98 ASN CB C 98 38.220 38.220 37.854 0.366 19974 10526 1 13 . 1 1 98 98 ASN H H 98 8.508 8.508 8.310 0.198 19974 10527 1 13 . 1 1 99 99 ALA N N 99 120.830 120.830 123.065 -2.235 19974 10528 1 13 . 1 1 99 99 ALA HA H 99 4.020 4.020 3.987 0.033 19974 10529 1 13 . 1 1 99 99 ALA C C 99 179.800 179.800 179.368 0.432 19974 10530 1 13 . 1 1 99 99 ALA CA C 99 54.770 54.770 55.050 -0.280 19974 10531 1 13 . 1 1 99 99 ALA CB C 99 18.110 18.110 18.646 -0.536 19974 10532 1 13 . 1 1 99 99 ALA H H 99 7.447 7.447 7.773 -0.326 19974 10533 1 13 . 1 1 100 100 ILE N N 100 116.240 116.240 119.509 -3.269 19974 10534 1 13 . 1 1 100 100 ILE HA H 100 3.203 3.203 3.669 -0.466 19974 10535 1 13 . 1 1 100 100 ILE C C 100 178.050 178.050 177.850 0.200 19974 10536 1 13 . 1 1 100 100 ILE CA C 100 64.550 64.550 64.824 -0.274 19974 10537 1 13 . 1 1 100 100 ILE CB C 100 37.640 37.640 37.314 0.326 19974 10538 1 13 . 1 1 100 100 ILE H H 100 7.339 7.339 7.671 -0.332 19974 10539 1 13 . 1 1 101 101 GLN N N 101 118.750 118.750 119.793 -1.043 19974 10540 1 13 . 1 1 101 101 GLN HA H 101 3.917 3.917 3.868 0.049 19974 10541 1 13 . 1 1 101 101 GLN C C 101 177.870 177.870 178.358 -0.488 19974 10542 1 13 . 1 1 101 101 GLN CA C 101 59.200 59.200 59.303 -0.103 19974 10543 1 13 . 1 1 101 101 GLN CB C 101 28.860 28.860 28.917 -0.057 19974 10544 1 13 . 1 1 101 101 GLN H H 101 8.359 8.359 8.207 0.152 19974 10545 1 13 . 1 1 102 102 LEU N N 102 117.790 117.790 119.800 -2.010 19974 10546 1 13 . 1 1 102 102 LEU HA H 102 3.951 3.951 4.045 -0.094 19974 10547 1 13 . 1 1 102 102 LEU C C 102 179.550 179.550 179.034 0.516 19974 10548 1 13 . 1 1 102 102 LEU CA C 102 58.190 58.190 57.946 0.244 19974 10549 1 13 . 1 1 102 102 LEU CB C 102 42.320 42.320 41.857 0.463 19974 10550 1 13 . 1 1 102 102 LEU H H 102 8.119 8.119 7.984 0.135 19974 10551 1 13 . 1 1 103 103 GLN N N 103 113.650 113.650 118.417 -4.767 19974 10552 1 13 . 1 1 103 103 GLN HA H 103 4.426 4.426 4.128 0.298 19974 10553 1 13 . 1 1 103 103 GLN C C 103 179.680 179.680 178.475 1.205 19974 10554 1 13 . 1 1 103 103 GLN CA C 103 56.550 56.550 58.327 -1.777 19974 10555 1 13 . 1 1 103 103 GLN CB C 103 27.480 27.480 28.562 -1.082 19974 10556 1 13 . 1 1 103 103 GLN H H 103 6.636 6.636 7.617 -0.981 19974 10557 1 13 . 1 1 104 104 PHE N N 104 123.740 123.740 121.008 2.732 19974 10558 1 13 . 1 1 104 104 PHE HA H 104 3.895 3.895 4.215 -0.320 19974 10559 1 13 . 1 1 104 104 PHE C C 104 180.130 180.130 177.791 2.339 19974 10560 1 13 . 1 1 104 104 PHE CA C 104 59.760 59.760 61.556 -1.796 19974 10561 1 13 . 1 1 104 104 PHE CB C 104 36.620 36.620 39.034 -2.414 19974 10562 1 13 . 1 1 104 104 PHE H H 104 9.161 9.161 8.539 0.622 19974 10563 1 13 . 1 1 105 105 LYS N N 105 119.280 119.280 118.529 0.751 19974 10564 1 13 . 1 1 105 105 LYS HA H 105 4.126 4.126 4.104 0.022 19974 10565 1 13 . 1 1 105 105 LYS C C 105 177.290 177.290 178.170 -0.880 19974 10566 1 13 . 1 1 105 105 LYS CA C 105 58.913 58.913 58.683 0.230 19974 10567 1 13 . 1 1 105 105 LYS CB C 105 31.920 31.920 32.310 -0.390 19974 10568 1 13 . 1 1 105 105 LYS H H 105 8.519 8.519 8.308 0.211 19974 10569 1 13 . 1 1 106 106 GLN N N 106 114.530 114.530 115.672 -1.142 19974 10570 1 13 . 1 1 106 106 GLN HA H 106 4.415 4.415 4.210 0.205 19974 10571 1 13 . 1 1 106 106 GLN C C 106 175.450 175.450 177.022 -1.572 19974 10572 1 13 . 1 1 106 106 GLN CA C 106 54.850 54.850 57.245 -2.395 19974 10573 1 13 . 1 1 106 106 GLN CB C 106 30.010 30.010 29.709 0.301 19974 10574 1 13 . 1 1 106 106 GLN H H 106 6.934 6.934 7.540 -0.606 19974 10575 1 13 . 1 1 107 107 GLY N N 107 106.800 106.800 105.888 0.912 19974 10576 1 13 . 1 1 107 107 GLY C C 107 173.140 173.140 173.292 -0.152 19974 10577 1 13 . 1 1 107 107 GLY CA C 107 44.930 44.930 44.322 0.608 19974 10578 1 13 . 1 1 107 107 GLY H H 107 7.722 7.722 8.128 -0.406 19974 10579 1 13 . 1 1 108 108 ASN N N 108 120.230 120.230 120.185 0.045 19974 10580 1 13 . 1 1 108 108 ASN HA H 108 4.827 4.827 4.612 0.215 19974 10581 1 13 . 1 1 108 108 ASN C C 108 174.820 174.820 175.272 -0.452 19974 10582 1 13 . 1 1 108 108 ASN CA C 108 50.520 50.520 50.500 0.020 19974 10583 1 13 . 1 1 108 108 ASN CB C 108 37.090 37.090 37.952 -0.862 19974 10584 1 13 . 1 1 108 108 ASN H H 108 7.654 7.654 7.657 -0.003 19974 10585 1 13 . 1 1 109 109 PHE N N 109 122.130 122.130 125.142 -3.012 19974 10586 1 13 . 1 1 109 109 PHE HA H 109 4.038 4.038 3.623 0.415 19974 10587 1 13 . 1 1 109 109 PHE C C 109 177.270 177.270 177.500 -0.230 19974 10588 1 13 . 1 1 109 109 PHE CA C 109 60.670 60.670 59.814 0.856 19974 10589 1 13 . 1 1 109 109 PHE CB C 109 38.220 38.220 38.114 0.106 19974 10590 1 13 . 1 1 109 109 PHE H H 109 7.231 7.231 7.511 -0.280 19974 10591 1 13 . 1 1 110 110 LYS N N 110 118.670 118.670 120.747 -2.077 19974 10592 1 13 . 1 1 110 110 LYS HA H 110 3.610 3.610 3.889 -0.279 19974 10593 1 13 . 1 1 110 110 LYS C C 110 177.680 177.680 178.738 -1.058 19974 10594 1 13 . 1 1 110 110 LYS CA C 110 60.050 60.050 60.136 -0.086 19974 10595 1 13 . 1 1 110 110 LYS CB C 110 29.680 29.680 31.894 -2.214 19974 10596 1 13 . 1 1 110 110 LYS H H 110 8.727 8.727 8.143 0.584 19974 10597 1 13 . 1 1 111 111 GLN N N 111 117.980 117.980 117.676 0.304 19974 10598 1 13 . 1 1 111 111 GLN HA H 111 3.491 3.491 4.017 -0.526 19974 10599 1 13 . 1 1 111 111 GLN C C 111 177.640 177.640 178.655 -1.015 19974 10600 1 13 . 1 1 111 111 GLN CA C 111 57.530 57.530 58.715 -1.185 19974 10601 1 13 . 1 1 111 111 GLN CB C 111 28.460 28.460 28.613 -0.153 19974 10602 1 13 . 1 1 111 111 GLN H H 111 8.442 8.442 8.346 0.096 19974 10603 1 13 . 1 1 112 112 GLY N N 112 103.740 103.740 107.979 -4.239 19974 10604 1 13 . 1 1 112 112 GLY C C 112 173.970 173.970 176.295 -2.325 19974 10605 1 13 . 1 1 112 112 GLY CA C 112 48.730 48.730 47.043 1.687 19974 10606 1 13 . 1 1 112 112 GLY H H 112 8.196 8.196 8.221 -0.025 19974 10607 1 13 . 1 1 113 113 LEU N N 113 119.640 119.640 122.656 -3.016 19974 10608 1 13 . 1 1 113 113 LEU HA H 113 3.868 3.868 4.080 -0.212 19974 10609 1 13 . 1 1 113 113 LEU C C 113 177.480 177.480 178.675 -1.195 19974 10610 1 13 . 1 1 113 113 LEU CA C 113 58.150 58.150 57.618 0.532 19974 10611 1 13 . 1 1 113 113 LEU CB C 113 41.920 41.920 42.172 -0.252 19974 10612 1 13 . 1 1 113 113 LEU H H 113 7.614 7.614 8.073 -0.459 19974 10613 1 13 . 1 1 114 114 VAL N N 114 118.510 118.510 120.058 -1.548 19974 10614 1 13 . 1 1 114 114 VAL HA H 114 3.269 3.269 3.553 -0.284 19974 10615 1 13 . 1 1 114 114 VAL C C 114 177.330 177.330 177.194 0.136 19974 10616 1 13 . 1 1 114 114 VAL CA C 114 67.787 67.787 66.442 1.345 19974 10617 1 13 . 1 1 114 114 VAL CB C 114 31.600 31.600 31.904 -0.304 19974 10618 1 13 . 1 1 114 114 VAL H H 114 8.284 8.284 8.399 -0.115 19974 10619 1 13 . 1 1 115 115 ASP N N 115 119.440 119.440 119.474 -0.034 19974 10620 1 13 . 1 1 115 115 ASP HA H 115 4.261 4.261 4.365 -0.104 19974 10621 1 13 . 1 1 115 115 ASP C C 115 179.840 179.840 178.618 1.222 19974 10622 1 13 . 1 1 115 115 ASP CA C 115 56.950 56.950 58.059 -1.109 19974 10623 1 13 . 1 1 115 115 ASP CB C 115 39.840 39.840 40.407 -0.567 19974 10624 1 13 . 1 1 115 115 ASP H H 115 8.724 8.724 8.693 0.031 19974 10625 1 13 . 1 1 116 116 GLY N N 116 107.280 107.280 108.446 -1.166 19974 10626 1 13 . 1 1 116 116 GLY C C 116 174.130 174.130 176.198 -2.068 19974 10627 1 13 . 1 1 116 116 GLY CA C 116 47.190 47.190 46.981 0.209 19974 10628 1 13 . 1 1 116 116 GLY H H 116 8.370 8.370 7.796 0.574 19974 10629 1 13 . 1 1 117 117 ILE N N 117 123.350 123.350 122.458 0.892 19974 10630 1 13 . 1 1 117 117 ILE HA H 117 3.307 3.307 3.627 -0.320 19974 10631 1 13 . 1 1 117 117 ILE C C 117 176.750 176.750 177.249 -0.499 19974 10632 1 13 . 1 1 117 117 ILE CA C 117 66.168 66.168 65.283 0.885 19974 10633 1 13 . 1 1 117 117 ILE CB C 117 37.760 37.760 37.931 -0.171 19974 10634 1 13 . 1 1 117 117 ILE H H 117 8.573 8.573 7.848 0.725 19974 10635 1 13 . 1 1 118 118 GLU N N 118 119.220 119.220 121.208 -1.988 19974 10636 1 13 . 1 1 118 118 GLU HA H 118 4.003 4.003 3.816 0.187 19974 10637 1 13 . 1 1 118 118 GLU C C 118 180.600 180.600 178.751 1.849 19974 10638 1 13 . 1 1 118 118 GLU CA C 118 59.472 59.472 60.139 -0.667 19974 10639 1 13 . 1 1 118 118 GLU CB C 118 29.310 29.310 29.525 -0.215 19974 10640 1 13 . 1 1 118 118 GLU H H 118 7.998 7.998 8.329 -0.331 19974 10641 1 13 . 1 1 119 119 LYS N N 119 118.270 118.270 118.632 -0.362 19974 10642 1 13 . 1 1 119 119 LYS HA H 119 3.897 3.897 4.035 -0.138 19974 10643 1 13 . 1 1 119 119 LYS C C 119 179.040 179.040 178.979 0.061 19974 10644 1 13 . 1 1 119 119 LYS CA C 119 58.090 58.090 59.258 -1.168 19974 10645 1 13 . 1 1 119 119 LYS CB C 119 31.340 31.340 32.323 -0.983 19974 10646 1 13 . 1 1 119 119 LYS H H 119 7.846 7.846 7.871 -0.025 19974 10647 1 13 . 1 1 120 120 ALA N N 120 125.280 125.280 122.457 2.823 19974 10648 1 13 . 1 1 120 120 ALA HA H 120 4.195 4.195 3.902 0.293 19974 10649 1 13 . 1 1 120 120 ALA C C 120 180.230 180.230 179.342 0.888 19974 10650 1 13 . 1 1 120 120 ALA CA C 120 55.040 55.040 55.109 -0.069 19974 10651 1 13 . 1 1 120 120 ALA CB C 120 17.380 17.380 18.216 -0.836 19974 10652 1 13 . 1 1 120 120 ALA H H 120 9.092 9.092 8.082 1.010 19974 10653 1 13 . 1 1 121 121 GLY N N 121 104.130 104.130 106.344 -2.214 19974 10654 1 13 . 1 1 121 121 GLY C C 121 174.930 174.930 176.423 -1.493 19974 10655 1 13 . 1 1 121 121 GLY CA C 121 47.590 47.590 47.047 0.543 19974 10656 1 13 . 1 1 121 121 GLY H H 121 8.606 8.606 8.503 0.103 19974 10657 1 13 . 1 1 122 122 MET N N 122 117.000 117.000 120.809 -3.809 19974 10658 1 13 . 1 1 122 122 MET HA H 122 4.183 4.183 4.116 0.067 19974 10659 1 13 . 1 1 122 122 MET C C 122 178.500 178.500 178.048 0.452 19974 10660 1 13 . 1 1 122 122 MET CA C 122 57.470 57.470 59.041 -1.571 19974 10661 1 13 . 1 1 122 122 MET CB C 122 32.200 32.200 32.715 -0.515 19974 10662 1 13 . 1 1 122 122 MET H H 122 7.284 7.284 8.037 -0.753 19974 10663 1 13 . 1 1 123 123 ALA N N 123 124.060 124.060 121.279 2.781 19974 10664 1 13 . 1 1 123 123 ALA HA H 123 4.076 4.076 4.281 -0.205 19974 10665 1 13 . 1 1 123 123 ALA C C 123 180.880 180.880 180.323 0.557 19974 10666 1 13 . 1 1 123 123 ALA CA C 123 54.760 54.760 54.684 0.076 19974 10667 1 13 . 1 1 123 123 ALA CB C 123 17.590 17.590 18.492 -0.902 19974 10668 1 13 . 1 1 123 123 ALA H H 123 8.308 8.308 8.003 0.305 19974 10669 1 13 . 1 1 124 124 LEU N N 124 117.060 117.060 120.209 -3.149 19974 10670 1 13 . 1 1 124 124 LEU HA H 124 4.270 4.270 4.252 0.018 19974 10671 1 13 . 1 1 124 124 LEU C C 124 179.170 179.170 179.069 0.101 19974 10672 1 13 . 1 1 124 124 LEU CA C 124 57.840 57.840 58.011 -0.171 19974 10673 1 13 . 1 1 124 124 LEU CB C 124 42.920 42.920 41.782 1.139 19974 10674 1 13 . 1 1 124 124 LEU H H 124 8.871 8.871 8.838 0.033 19974 10675 1 13 . 1 1 125 125 ALA N N 125 120.950 120.950 120.373 0.577 19974 10676 1 13 . 1 1 125 125 ALA HA H 125 3.956 3.956 4.491 -0.535 19974 10677 1 13 . 1 1 125 125 ALA C C 125 177.740 177.740 179.476 -1.736 19974 10678 1 13 . 1 1 125 125 ALA CA C 125 55.220 55.220 54.775 0.445 19974 10679 1 13 . 1 1 125 125 ALA CB C 125 19.180 19.180 18.455 0.725 19974 10680 1 13 . 1 1 125 125 ALA H H 125 7.829 7.829 8.434 -0.605 19974 10681 1 13 . 1 1 126 126 LYS N N 126 113.320 113.320 118.099 -4.779 19974 10682 1 13 . 1 1 126 126 LYS HA H 126 3.798 3.798 4.137 -0.339 19974 10683 1 13 . 1 1 126 126 LYS C C 126 176.550 176.550 178.227 -1.677 19974 10684 1 13 . 1 1 126 126 LYS CA C 126 58.490 58.490 58.230 0.260 19974 10685 1 13 . 1 1 126 126 LYS CB C 126 32.620 32.620 32.187 0.433 19974 10686 1 13 . 1 1 126 126 LYS H H 126 6.971 6.971 7.950 -0.979 19974 10687 1 13 . 1 1 127 127 TYR N N 127 113.850 113.850 116.596 -2.746 19974 10688 1 13 . 1 1 127 127 TYR HA H 127 4.067 4.067 4.267 -0.200 19974 10689 1 13 . 1 1 127 127 TYR C C 127 174.390 174.390 176.268 -1.878 19974 10690 1 13 . 1 1 127 127 TYR CA C 127 58.770 58.770 60.154 -1.385 19974 10691 1 13 . 1 1 127 127 TYR CB C 127 41.930 41.930 39.347 2.583 19974 10692 1 13 . 1 1 127 127 TYR H H 127 6.817 6.817 7.802 -0.985 19974 10693 1 13 . 1 1 128 128 PHE N N 128 116.130 116.130 117.627 -1.497 19974 10694 1 13 . 1 1 128 128 PHE HA H 128 4.907 4.907 5.032 -0.125 19974 10695 1 13 . 1 1 128 128 PHE C C 128 172.450 172.450 173.681 -1.231 19974 10696 1 13 . 1 1 128 128 PHE CA C 128 55.003 55.003 54.957 0.046 19974 10697 1 13 . 1 1 128 128 PHE CB C 128 38.550 38.550 40.392 -1.842 19974 10698 1 13 . 1 1 128 128 PHE H H 128 8.688 8.688 8.587 0.101 19974 10699 1 13 . 1 1 129 129 PRO HA H 129 4.680 4.680 4.728 -0.048 19974 10700 1 13 . 1 1 129 129 PRO C C 129 175.720 175.720 176.586 -0.866 19974 10701 1 13 . 1 1 129 129 PRO CA C 129 63.382 63.382 62.527 0.855 19974 10702 1 13 . 1 1 129 129 PRO CB C 129 31.810 31.810 32.357 -0.547 19974 10703 1 13 . 1 1 130 130 TRP N N 130 123.170 123.170 127.550 -4.380 19974 10704 1 13 . 1 1 130 130 TRP HA H 130 4.031 4.031 4.582 -0.551 19974 10705 1 13 . 1 1 130 130 TRP C C 130 175.310 175.310 175.780 -0.470 19974 10706 1 13 . 1 1 130 130 TRP CA C 130 59.510 59.510 58.502 1.008 19974 10707 1 13 . 1 1 130 130 TRP CB C 130 29.300 29.300 30.229 -0.929 19974 10708 1 13 . 1 1 130 130 TRP H H 130 7.910 7.910 8.619 -0.709 19974 10709 1 13 . 1 1 131 131 LYS N N 131 127.060 127.060 126.743 0.317 19974 10710 1 13 . 1 1 131 131 LYS HA H 131 4.260 4.260 4.376 -0.116 19974 10711 1 13 . 1 1 131 131 LYS C C 131 174.450 174.450 176.755 -2.305 19974 10712 1 13 . 1 1 131 131 LYS CA C 131 53.240 53.240 54.449 -1.209 19974 10713 1 13 . 1 1 131 131 LYS CB C 131 35.250 35.250 33.755 1.495 19974 10714 1 13 . 1 1 131 131 LYS H H 131 8.097 8.097 7.888 0.209 19974 10715 1 13 . 1 1 132 132 LYS N N 132 116.250 116.250 123.196 -6.946 19974 10716 1 13 . 1 1 132 132 LYS HA H 132 3.398 3.398 3.349 0.049 19974 10717 1 13 . 1 1 132 132 LYS C C 132 176.550 176.550 176.070 0.480 19974 10718 1 13 . 1 1 132 132 LYS CA C 132 58.140 58.140 58.233 -0.093 19974 10719 1 13 . 1 1 132 132 LYS CB C 132 31.880 31.880 32.161 -0.281 19974 10720 1 13 . 1 1 132 132 LYS H H 132 7.761 7.761 8.546 -0.785 19974 10721 1 13 . 1 1 133 133 ASP N N 133 116.600 116.600 118.084 -1.484 19974 10722 1 13 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.681 -0.330 19974 10723 1 13 . 1 1 133 133 ASP C C 133 175.320 175.320 175.482 -0.162 19974 10724 1 13 . 1 1 133 133 ASP CA C 133 52.520 52.520 53.697 -1.177 19974 10725 1 13 . 1 1 133 133 ASP CB C 133 38.720 38.720 40.277 -1.557 19974 10726 1 13 . 1 1 133 133 ASP H H 133 7.633 7.633 7.753 -0.120 19974 10727 1 13 . 1 1 134 134 ASP N N 134 119.140 119.140 121.467 -2.327 19974 10728 1 13 . 1 1 134 134 ASP HA H 134 3.989 3.989 4.436 -0.447 19974 10729 1 13 . 1 1 134 134 ASP C C 134 175.500 175.500 176.400 -0.900 19974 10730 1 13 . 1 1 134 134 ASP CA C 134 56.410 56.410 54.922 1.488 19974 10731 1 13 . 1 1 134 134 ASP CB C 134 42.740 42.740 41.845 0.895 19974 10732 1 13 . 1 1 134 134 ASP H H 134 7.251 7.251 7.494 -0.243 19974 10733 1 13 . 1 1 135 135 ILE N N 135 123.230 123.230 120.795 2.435 19974 10734 1 13 . 1 1 135 135 ILE HA H 135 4.301 4.301 4.452 -0.151 19974 10735 1 13 . 1 1 135 135 ILE C C 135 176.300 176.300 174.632 1.668 19974 10736 1 13 . 1 1 135 135 ILE CA C 135 58.640 58.640 59.622 -0.982 19974 10737 1 13 . 1 1 135 135 ILE CB C 135 40.800 40.800 38.785 2.015 19974 10738 1 13 . 1 1 135 135 ILE H H 135 8.351 8.351 8.160 0.191 19974 10739 1 13 . 1 1 136 136 ASP N N 136 131.670 131.670 128.880 2.790 19974 10740 1 13 . 1 1 136 136 ASP HA H 136 5.640 5.640 4.752 0.888 19974 10741 1 13 . 1 1 136 136 ASP C C 136 176.150 176.150 175.622 0.528 19974 10742 1 13 . 1 1 136 136 ASP CA C 136 52.560 52.560 54.047 -1.487 19974 10743 1 13 . 1 1 136 136 ASP CB C 136 38.180 38.180 41.478 -3.298 19974 10744 1 13 . 1 1 136 136 ASP H H 136 9.036 9.036 8.677 0.359 19974 10745 1 13 . 1 1 137 137 GLU N N 137 125.270 125.270 124.234 1.036 19974 10746 1 13 . 1 1 137 137 GLU HA H 137 3.735 3.735 4.390 -0.655 19974 10747 1 13 . 1 1 137 137 GLU C C 137 176.110 176.110 176.916 -0.806 19974 10748 1 13 . 1 1 137 137 GLU CA C 137 59.490 59.490 56.497 2.993 19974 10749 1 13 . 1 1 137 137 GLU CB C 137 32.880 32.880 31.510 1.370 19974 10750 1 13 . 1 1 137 137 GLU H H 137 8.435 8.435 8.913 -0.478 19974 10751 1 13 . 1 1 138 138 LEU N N 138 117.210 117.210 122.946 -5.736 19974 10752 1 13 . 1 1 138 138 LEU HA H 138 4.960 4.960 4.542 0.418 19974 10753 1 13 . 1 1 138 138 LEU C C 138 173.560 173.560 175.042 -1.482 19974 10754 1 13 . 1 1 138 138 LEU CA C 138 50.310 50.310 52.775 -2.465 19974 10755 1 13 . 1 1 138 138 LEU CB C 138 41.350 41.350 41.800 -0.450 19974 10756 1 13 . 1 1 138 138 LEU H H 138 8.308 8.308 8.479 -0.171 19974 10757 1 13 . 1 1 139 139 PRO HA H 139 4.335 4.335 4.552 -0.217 19974 10758 1 13 . 1 1 139 139 PRO C C 139 177.700 177.700 176.712 0.988 19974 10759 1 13 . 1 1 139 139 PRO CA C 139 62.550 62.550 62.117 0.433 19974 10760 1 13 . 1 1 139 139 PRO CB C 139 32.520 32.520 33.105 -0.585 19974 10761 1 13 . 1 1 140 140 ASN N N 140 120.930 120.930 118.753 2.177 19974 10762 1 13 . 1 1 140 140 ASN HA H 140 4.730 4.730 4.609 0.121 19974 10763 1 13 . 1 1 140 140 ASN C C 140 174.460 174.460 175.024 -0.564 19974 10764 1 13 . 1 1 140 140 ASN CA C 140 52.790 52.790 54.091 -1.301 19974 10765 1 13 . 1 1 140 140 ASN CB C 140 38.520 38.520 39.047 -0.527 19974 10766 1 13 . 1 1 140 140 ASN H H 140 9.213 9.213 8.747 0.466 19974 10767 1 13 . 1 1 141 141 THR N N 141 107.730 107.730 111.793 -4.063 19974 10768 1 13 . 1 1 141 141 THR HA H 141 3.853 3.853 4.391 -0.538 19974 10769 1 13 . 1 1 141 141 THR C C 141 176.410 176.410 174.724 1.686 19974 10770 1 13 . 1 1 141 141 THR CA C 141 61.560 61.560 61.370 0.190 19974 10771 1 13 . 1 1 141 141 THR CB C 141 69.450 69.450 69.988 -0.538 19974 10772 1 13 . 1 1 141 141 THR H H 141 7.003 7.003 7.456 -0.453 19974 10773 1 13 . 1 1 142 142 ILE N N 142 129.530 129.530 123.266 6.264 19974 10774 1 13 . 1 1 142 142 ILE HA H 142 3.976 3.976 3.961 0.015 19974 10775 1 13 . 1 1 142 142 ILE C C 142 176.020 176.020 176.223 -0.203 19974 10776 1 13 . 1 1 142 142 ILE CA C 142 62.150 62.150 61.645 0.505 19974 10777 1 13 . 1 1 142 142 ILE CB C 142 37.890 37.890 38.275 -0.385 19974 10778 1 13 . 1 1 142 142 ILE H H 142 9.030 9.030 8.419 0.611 19974 10779 1 13 . 1 1 143 143 SER N N 143 124.630 124.630 123.653 0.977 19974 10780 1 13 . 1 1 143 143 SER HA H 143 4.481 4.481 4.656 -0.175 19974 10781 1 13 . 1 1 143 143 SER C C 143 172.920 172.920 173.272 -0.352 19974 10782 1 13 . 1 1 143 143 SER CA C 143 57.120 57.120 58.572 -1.452 19974 10783 1 13 . 1 1 143 143 SER CB C 143 60.710 60.710 64.158 -3.448 19974 10784 1 13 . 1 1 143 143 SER H H 143 8.709 8.709 8.812 -0.103 19974 10785 1 13 . 1 1 144 144 LYS N N 144 126.170 126.170 122.255 3.915 19974 10786 1 13 . 1 1 144 144 LYS HA H 144 4.954 4.954 4.537 0.417 19974 10787 1 13 . 1 1 144 144 LYS C C 144 175.910 175.910 176.667 -0.757 19974 10788 1 13 . 1 1 144 144 LYS CA C 144 54.580 54.580 54.932 -0.352 19974 10789 1 13 . 1 1 144 144 LYS CB C 144 35.170 35.170 36.284 -1.114 19974 10790 1 13 . 1 1 144 144 LYS H H 144 8.043 8.043 8.251 -0.208 19974 10791 1 14 . 1 1 3 3 LYS HA H 3 4.317 4.317 4.578 -0.261 19974 10792 1 14 . 1 1 3 3 LYS C C 3 176.840 176.840 176.719 0.121 19974 10793 1 14 . 1 1 3 3 LYS CA C 3 56.180 56.180 55.624 0.556 19974 10794 1 14 . 1 1 3 3 LYS CB C 3 33.030 33.030 34.678 -1.647 19974 10795 1 14 . 1 1 4 4 ILE N N 4 122.990 122.990 122.362 0.628 19974 10796 1 14 . 1 1 4 4 ILE HA H 4 3.919 3.919 3.990 -0.071 19974 10797 1 14 . 1 1 4 4 ILE C C 4 176.120 176.120 175.563 0.557 19974 10798 1 14 . 1 1 4 4 ILE CA C 4 61.530 61.530 62.304 -0.774 19974 10799 1 14 . 1 1 4 4 ILE CB C 4 38.040 38.040 38.041 -0.001 19974 10800 1 14 . 1 1 4 4 ILE H H 4 8.391 8.391 8.817 -0.426 19974 10801 1 14 . 1 1 5 5 GLU N N 5 123.430 123.430 120.284 3.146 19974 10802 1 14 . 1 1 5 5 GLU HA H 5 4.116 4.116 3.966 0.150 19974 10803 1 14 . 1 1 5 5 GLU C C 5 175.830 175.830 176.470 -0.640 19974 10804 1 14 . 1 1 5 5 GLU CA C 5 56.900 56.900 56.914 -0.014 19974 10805 1 14 . 1 1 5 5 GLU CB C 5 29.350 29.350 30.066 -0.716 19974 10806 1 14 . 1 1 5 5 GLU H H 5 8.508 8.508 7.881 0.627 19974 10807 1 14 . 1 1 6 6 GLU N N 6 119.490 119.490 120.282 -0.792 19974 10808 1 14 . 1 1 6 6 GLU HA H 6 4.128 4.128 4.289 -0.161 19974 10809 1 14 . 1 1 6 6 GLU C C 6 176.270 176.270 176.238 0.032 19974 10810 1 14 . 1 1 6 6 GLU CA C 6 55.700 55.700 55.130 0.570 19974 10811 1 14 . 1 1 6 6 GLU CB C 6 30.190 30.190 28.509 1.681 19974 10812 1 14 . 1 1 6 6 GLU H H 6 7.843 7.843 7.326 0.517 19974 10813 1 14 . 1 1 7 7 PHE N N 7 121.090 121.090 121.175 -0.085 19974 10814 1 14 . 1 1 7 7 PHE HA H 7 4.284 4.284 4.367 -0.083 19974 10815 1 14 . 1 1 7 7 PHE C C 7 174.810 174.810 176.330 -1.520 19974 10816 1 14 . 1 1 7 7 PHE CA C 7 59.660 59.660 59.753 -0.093 19974 10817 1 14 . 1 1 7 7 PHE CB C 7 39.990 39.990 39.529 0.461 19974 10818 1 14 . 1 1 7 7 PHE H H 7 8.092 8.092 7.546 0.546 19974 10819 1 14 . 1 1 8 8 LEU N N 8 116.700 116.700 117.904 -1.204 19974 10820 1 14 . 1 1 8 8 LEU HA H 8 4.792 4.792 4.890 -0.098 19974 10821 1 14 . 1 1 8 8 LEU C C 8 176.940 176.940 176.302 0.638 19974 10822 1 14 . 1 1 8 8 LEU CA C 8 52.730 52.730 53.369 -0.639 19974 10823 1 14 . 1 1 8 8 LEU CB C 8 45.650 45.650 45.371 0.279 19974 10824 1 14 . 1 1 8 8 LEU H H 8 7.721 7.721 7.785 -0.064 19974 10825 1 14 . 1 1 9 9 THR N N 9 113.700 113.700 117.373 -3.673 19974 10826 1 14 . 1 1 9 9 THR HA H 9 4.397 4.397 4.346 0.051 19974 10827 1 14 . 1 1 9 9 THR C C 9 175.410 175.410 176.119 -0.709 19974 10828 1 14 . 1 1 9 9 THR CA C 9 60.650 60.650 61.588 -0.938 19974 10829 1 14 . 1 1 9 9 THR CB C 9 70.800 70.800 70.222 0.578 19974 10830 1 14 . 1 1 9 9 THR H H 9 9.224 9.224 8.017 1.207 19974 10831 1 14 . 1 1 10 10 ALA N N 10 123.350 123.350 127.413 -4.063 19974 10832 1 14 . 1 1 10 10 ALA HA H 10 4.036 4.036 3.997 0.039 19974 10833 1 14 . 1 1 10 10 ALA C C 10 181.050 181.050 179.924 1.126 19974 10834 1 14 . 1 1 10 10 ALA CA C 10 55.500 55.500 54.977 0.523 19974 10835 1 14 . 1 1 10 10 ALA CB C 10 17.914 17.914 18.248 -0.334 19974 10836 1 14 . 1 1 10 10 ALA H H 10 8.881 8.881 8.873 0.008 19974 10837 1 14 . 1 1 11 11 GLU N N 11 117.680 117.680 117.780 -0.100 19974 10838 1 14 . 1 1 11 11 GLU HA H 11 3.949 3.949 4.082 -0.133 19974 10839 1 14 . 1 1 11 11 GLU C C 11 179.500 179.500 179.133 0.367 19974 10840 1 14 . 1 1 11 11 GLU CA C 11 59.490 59.490 59.293 0.197 19974 10841 1 14 . 1 1 11 11 GLU CB C 11 29.120 29.120 29.369 -0.249 19974 10842 1 14 . 1 1 11 11 GLU H H 11 8.460 8.460 8.883 -0.423 19974 10843 1 14 . 1 1 12 12 GLU N N 12 121.860 121.860 119.958 1.902 19974 10844 1 14 . 1 1 12 12 GLU HA H 12 3.818 3.818 4.119 -0.301 19974 10845 1 14 . 1 1 12 12 GLU C C 12 178.130 178.130 179.067 -0.937 19974 10846 1 14 . 1 1 12 12 GLU CA C 12 59.210 59.210 59.057 0.153 19974 10847 1 14 . 1 1 12 12 GLU CB C 12 30.800 30.800 29.780 1.020 19974 10848 1 14 . 1 1 12 12 GLU H H 12 7.698 7.698 8.146 -0.448 19974 10849 1 14 . 1 1 13 13 GLU N N 13 118.170 118.170 119.612 -1.442 19974 10850 1 14 . 1 1 13 13 GLU HA H 13 3.640 3.640 4.034 -0.394 19974 10851 1 14 . 1 1 13 13 GLU C C 13 178.070 178.070 178.538 -0.468 19974 10852 1 14 . 1 1 13 13 GLU CA C 13 60.539 60.539 59.302 1.237 19974 10853 1 14 . 1 1 13 13 GLU CB C 13 29.130 29.130 29.541 -0.411 19974 10854 1 14 . 1 1 13 13 GLU H H 13 8.493 8.493 8.459 0.034 19974 10855 1 14 . 1 1 14 14 LYS N N 14 117.980 117.980 120.020 -2.040 19974 10856 1 14 . 1 1 14 14 LYS HA H 14 3.887 3.887 3.974 -0.087 19974 10857 1 14 . 1 1 14 14 LYS C C 14 177.420 177.420 178.642 -1.222 19974 10858 1 14 . 1 1 14 14 LYS CA C 14 59.350 59.350 59.487 -0.137 19974 10859 1 14 . 1 1 14 14 LYS CB C 14 32.200 32.200 32.382 -0.181 19974 10860 1 14 . 1 1 14 14 LYS H H 14 7.650 7.650 7.685 -0.035 19974 10861 1 14 . 1 1 15 15 ALA N N 15 119.210 119.210 119.494 -0.284 19974 10862 1 14 . 1 1 15 15 ALA HA H 15 4.098 4.098 4.162 -0.064 19974 10863 1 14 . 1 1 15 15 ALA C C 15 180.550 180.550 179.581 0.969 19974 10864 1 14 . 1 1 15 15 ALA CA C 15 54.600 54.600 54.700 -0.100 19974 10865 1 14 . 1 1 15 15 ALA CB C 15 17.790 17.790 18.508 -0.718 19974 10866 1 14 . 1 1 15 15 ALA H H 15 7.362 7.362 7.661 -0.299 19974 10867 1 14 . 1 1 16 16 ILE N N 16 119.990 119.990 119.454 0.536 19974 10868 1 14 . 1 1 16 16 ILE HA H 16 3.493 3.493 3.794 -0.301 19974 10869 1 14 . 1 1 16 16 ILE C C 16 176.510 176.510 177.364 -0.854 19974 10870 1 14 . 1 1 16 16 ILE CA C 16 65.072 65.072 63.593 1.479 19974 10871 1 14 . 1 1 16 16 ILE CB C 16 37.580 37.580 38.484 -0.904 19974 10872 1 14 . 1 1 16 16 ILE H H 16 7.592 7.592 7.355 0.237 19974 10873 1 14 . 1 1 17 17 VAL N N 17 121.520 121.520 121.875 -0.355 19974 10874 1 14 . 1 1 17 17 VAL HA H 17 3.504 3.504 3.506 -0.002 19974 10875 1 14 . 1 1 17 17 VAL C C 17 178.620 178.620 177.867 0.753 19974 10876 1 14 . 1 1 17 17 VAL CA C 17 67.324 67.324 67.022 0.302 19974 10877 1 14 . 1 1 17 17 VAL CB C 17 31.350 31.350 31.605 -0.254 19974 10878 1 14 . 1 1 17 17 VAL H H 17 8.155 8.155 8.556 -0.401 19974 10879 1 14 . 1 1 18 18 ASP N N 18 120.000 120.000 119.090 0.910 19974 10880 1 14 . 1 1 18 18 ASP HA H 18 4.223 4.223 4.275 -0.052 19974 10881 1 14 . 1 1 18 18 ASP C C 18 177.980 177.980 177.365 0.615 19974 10882 1 14 . 1 1 18 18 ASP CA C 18 57.050 57.050 57.142 -0.092 19974 10883 1 14 . 1 1 18 18 ASP CB C 18 39.410 39.410 40.687 -1.277 19974 10884 1 14 . 1 1 18 18 ASP H H 18 8.605 8.605 8.220 0.385 19974 10885 1 14 . 1 1 19 19 ALA N N 19 122.620 122.620 120.916 1.704 19974 10886 1 14 . 1 1 19 19 ALA HA H 19 4.194 4.194 4.096 0.097 19974 10887 1 14 . 1 1 19 19 ALA C C 19 180.720 180.720 179.715 1.005 19974 10888 1 14 . 1 1 19 19 ALA CA C 19 54.970 54.970 54.708 0.262 19974 10889 1 14 . 1 1 19 19 ALA CB C 19 17.850 17.850 18.627 -0.777 19974 10890 1 14 . 1 1 19 19 ALA H H 19 7.702 7.702 7.246 0.456 19974 10891 1 14 . 1 1 20 20 ILE N N 20 122.620 122.620 118.876 3.744 19974 10892 1 14 . 1 1 20 20 ILE HA H 20 3.309 3.309 3.586 -0.277 19974 10893 1 14 . 1 1 20 20 ILE C C 20 176.740 176.740 177.979 -1.239 19974 10894 1 14 . 1 1 20 20 ILE CA C 20 66.830 66.830 65.225 1.605 19974 10895 1 14 . 1 1 20 20 ILE CB C 20 38.140 38.140 37.706 0.434 19974 10896 1 14 . 1 1 20 20 ILE H H 20 8.234 8.234 7.586 0.648 19974 10897 1 14 . 1 1 21 21 ARG N N 21 119.660 119.660 119.662 -0.002 19974 10898 1 14 . 1 1 21 21 ARG HA H 21 3.899 3.899 4.248 -0.349 19974 10899 1 14 . 1 1 21 21 ARG C C 21 179.540 179.540 178.249 1.291 19974 10900 1 14 . 1 1 21 21 ARG CA C 21 58.990 58.990 58.956 0.034 19974 10901 1 14 . 1 1 21 21 ARG CB C 21 29.020 29.020 30.029 -1.010 19974 10902 1 14 . 1 1 21 21 ARG H H 21 8.212 8.212 7.852 0.360 19974 10903 1 14 . 1 1 22 22 ASP N N 22 118.640 118.640 117.513 1.127 19974 10904 1 14 . 1 1 22 22 ASP HA H 22 4.239 4.239 4.595 -0.356 19974 10905 1 14 . 1 1 22 22 ASP C C 22 179.190 179.190 177.518 1.672 19974 10906 1 14 . 1 1 22 22 ASP CA C 22 57.270 57.270 56.288 0.982 19974 10907 1 14 . 1 1 22 22 ASP CB C 22 39.770 39.770 40.420 -0.650 19974 10908 1 14 . 1 1 22 22 ASP H H 22 8.137 8.137 7.863 0.274 19974 10909 1 14 . 1 1 23 23 ALA N N 23 126.120 126.120 124.100 2.020 19974 10910 1 14 . 1 1 23 23 ALA HA H 23 4.207 4.207 4.078 0.129 19974 10911 1 14 . 1 1 23 23 ALA C C 23 181.060 181.060 179.206 1.854 19974 10912 1 14 . 1 1 23 23 ALA CA C 23 55.430 55.430 54.793 0.637 19974 10913 1 14 . 1 1 23 23 ALA CB C 23 18.690 18.690 18.510 0.180 19974 10914 1 14 . 1 1 23 23 ALA H H 23 8.500 8.500 7.738 0.762 19974 10915 1 14 . 1 1 24 24 GLU N N 24 115.460 115.460 116.681 -1.221 19974 10916 1 14 . 1 1 24 24 GLU HA H 24 4.213 4.213 4.175 0.038 19974 10917 1 14 . 1 1 24 24 GLU C C 24 176.390 176.390 176.865 -0.475 19974 10918 1 14 . 1 1 24 24 GLU CA C 24 58.180 58.180 58.130 0.050 19974 10919 1 14 . 1 1 24 24 GLU CB C 24 28.200 28.200 29.442 -1.242 19974 10920 1 14 . 1 1 24 24 GLU H H 24 8.451 8.451 8.160 0.291 19974 10921 1 14 . 1 1 25 25 LYS N N 25 115.790 115.790 115.843 -0.053 19974 10922 1 14 . 1 1 25 25 LYS HA H 25 3.739 3.739 4.427 -0.688 19974 10923 1 14 . 1 1 25 25 LYS C C 25 176.020 176.020 175.675 0.345 19974 10924 1 14 . 1 1 25 25 LYS CA C 25 56.220 56.220 56.072 0.148 19974 10925 1 14 . 1 1 25 25 LYS CB C 25 32.070 32.070 32.587 -0.517 19974 10926 1 14 . 1 1 25 25 LYS H H 25 7.083 7.083 7.282 -0.199 19974 10927 1 14 . 1 1 26 26 ASN N N 26 115.060 115.060 117.277 -2.217 19974 10928 1 14 . 1 1 26 26 ASN HA H 26 4.749 4.749 4.803 -0.054 19974 10929 1 14 . 1 1 26 26 ASN C C 26 174.280 174.280 174.125 0.155 19974 10930 1 14 . 1 1 26 26 ASN CA C 26 53.050 53.050 53.736 -0.686 19974 10931 1 14 . 1 1 26 26 ASN CB C 26 40.410 40.410 41.537 -1.127 19974 10932 1 14 . 1 1 26 26 ASN H H 26 7.931 7.931 8.214 -0.283 19974 10933 1 14 . 1 1 27 27 THR N N 27 113.430 113.430 113.675 -0.245 19974 10934 1 14 . 1 1 27 27 THR HA H 27 5.507 5.507 5.026 0.481 19974 10935 1 14 . 1 1 27 27 THR C C 27 170.850 170.850 174.065 -3.215 19974 10936 1 14 . 1 1 27 27 THR CA C 27 57.130 57.130 60.940 -3.810 19974 10937 1 14 . 1 1 27 27 THR CB C 27 70.200 70.200 70.109 0.091 19974 10938 1 14 . 1 1 27 27 THR H H 27 7.619 7.619 7.739 -0.120 19974 10939 1 14 . 1 1 28 28 SER N N 28 119.450 119.450 124.338 -4.888 19974 10940 1 14 . 1 1 28 28 SER HA H 28 4.773 4.773 4.754 0.019 19974 10941 1 14 . 1 1 28 28 SER C C 28 176.330 176.330 173.848 2.482 19974 10942 1 14 . 1 1 28 28 SER CA C 28 58.913 58.913 57.675 1.238 19974 10943 1 14 . 1 1 28 28 SER CB C 28 64.360 64.360 61.941 2.419 19974 10944 1 14 . 1 1 28 28 SER H H 28 7.706 7.706 8.935 -1.229 19974 10945 1 14 . 1 1 29 29 GLY N N 29 111.350 111.350 108.565 2.785 19974 10946 1 14 . 1 1 29 29 GLY C C 29 171.210 171.210 172.829 -1.619 19974 10947 1 14 . 1 1 29 29 GLY CA C 29 44.643 44.643 45.038 -0.395 19974 10948 1 14 . 1 1 29 29 GLY H H 29 9.011 9.011 7.585 1.426 19974 10949 1 14 . 1 1 30 30 GLU N N 30 120.620 120.620 122.488 -1.868 19974 10950 1 14 . 1 1 30 30 GLU HA H 30 4.867 4.867 4.666 0.201 19974 10951 1 14 . 1 1 30 30 GLU C C 30 174.500 174.500 175.195 -0.695 19974 10952 1 14 . 1 1 30 30 GLU CA C 30 54.320 54.320 55.665 -1.345 19974 10953 1 14 . 1 1 30 30 GLU CB C 30 34.030 34.030 32.092 1.938 19974 10954 1 14 . 1 1 30 30 GLU H H 30 6.897 6.897 8.012 -1.115 19974 10955 1 14 . 1 1 31 31 ILE N N 31 121.650 121.650 125.019 -3.369 19974 10956 1 14 . 1 1 31 31 ILE HA H 31 5.171 5.171 4.561 0.610 19974 10957 1 14 . 1 1 31 31 ILE C C 31 175.550 175.550 174.798 0.752 19974 10958 1 14 . 1 1 31 31 ILE CA C 31 59.740 59.740 60.402 -0.662 19974 10959 1 14 . 1 1 31 31 ILE CB C 31 42.520 42.520 39.475 3.045 19974 10960 1 14 . 1 1 31 31 ILE H H 31 8.546 8.546 8.718 -0.172 19974 10961 1 14 . 1 1 32 32 ARG N N 32 121.690 121.690 127.275 -5.585 19974 10962 1 14 . 1 1 32 32 ARG HA H 32 4.951 4.951 4.798 0.153 19974 10963 1 14 . 1 1 32 32 ARG C C 32 173.740 173.740 173.957 -0.217 19974 10964 1 14 . 1 1 32 32 ARG CA C 32 55.220 55.220 54.029 1.191 19974 10965 1 14 . 1 1 32 32 ARG CB C 32 34.720 34.720 34.678 0.042 19974 10966 1 14 . 1 1 32 32 ARG H H 32 8.751 8.751 8.829 -0.078 19974 10967 1 14 . 1 1 33 33 VAL N N 33 120.770 120.770 123.627 -2.857 19974 10968 1 14 . 1 1 33 33 VAL HA H 33 4.972 4.972 4.554 0.418 19974 10969 1 14 . 1 1 33 33 VAL C C 33 173.790 173.790 173.543 0.247 19974 10970 1 14 . 1 1 33 33 VAL CA C 33 59.700 59.700 60.252 -0.552 19974 10971 1 14 . 1 1 33 33 VAL CB C 33 34.820 34.820 34.318 0.502 19974 10972 1 14 . 1 1 33 33 VAL H H 33 8.617 8.617 8.663 -0.046 19974 10973 1 14 . 1 1 34 34 HIS N N 34 125.000 125.000 128.230 -3.230 19974 10974 1 14 . 1 1 34 34 HIS HA H 34 5.743 5.743 5.133 0.610 19974 10975 1 14 . 1 1 34 34 HIS C C 34 172.790 172.790 172.915 -0.125 19974 10976 1 14 . 1 1 34 34 HIS CA C 34 54.370 54.370 53.987 0.383 19974 10977 1 14 . 1 1 34 34 HIS CB C 34 36.840 36.840 32.137 4.703 19974 10978 1 14 . 1 1 34 34 HIS H H 34 8.552 8.552 9.100 -0.548 19974 10979 1 14 . 1 1 35 35 LEU N N 35 124.400 124.400 128.558 -4.158 19974 10980 1 14 . 1 1 35 35 LEU HA H 35 4.800 4.800 4.847 -0.047 19974 10981 1 14 . 1 1 35 35 LEU C C 35 174.490 174.490 174.142 0.348 19974 10982 1 14 . 1 1 35 35 LEU CA C 35 52.190 52.190 53.758 -1.568 19974 10983 1 14 . 1 1 35 35 LEU CB C 35 44.880 44.880 45.041 -0.161 19974 10984 1 14 . 1 1 35 35 LEU H H 35 8.006 8.006 8.037 -0.031 19974 10985 1 14 . 1 1 36 36 GLU N N 36 116.112 116.112 124.401 -8.289 19974 10986 1 14 . 1 1 36 36 GLU HA H 36 4.573 4.573 4.571 0.002 19974 10987 1 14 . 1 1 36 36 GLU C C 36 174.350 174.350 175.740 -1.390 19974 10988 1 14 . 1 1 36 36 GLU CA C 36 54.130 54.130 54.981 -0.851 19974 10989 1 14 . 1 1 36 36 GLU CB C 36 31.960 31.960 33.266 -1.306 19974 10990 1 14 . 1 1 36 36 GLU H H 36 8.235 8.235 8.312 -0.077 19974 10991 1 14 . 1 1 37 37 LYS N N 37 121.210 121.210 121.460 -0.250 19974 10992 1 14 . 1 1 37 37 LYS HA H 37 3.731 3.731 4.209 -0.478 19974 10993 1 14 . 1 1 37 37 LYS C C 37 175.200 175.200 176.540 -1.340 19974 10994 1 14 . 1 1 37 37 LYS CA C 37 61.410 61.410 60.019 1.391 19974 10995 1 14 . 1 1 37 37 LYS CB C 37 33.090 33.090 33.469 -0.380 19974 10996 1 14 . 1 1 37 37 LYS H H 37 9.055 9.055 8.802 0.253 19974 10997 1 14 . 1 1 38 38 THR N N 38 107.310 107.310 110.114 -2.804 19974 10998 1 14 . 1 1 38 38 THR HA H 38 4.448 4.448 4.538 -0.090 19974 10999 1 14 . 1 1 38 38 THR C C 38 171.420 171.420 172.646 -1.226 19974 11000 1 14 . 1 1 38 38 THR CA C 38 59.530 59.530 59.533 -0.003 19974 11001 1 14 . 1 1 38 38 THR CB C 38 69.570 69.570 69.732 -0.162 19974 11002 1 14 . 1 1 38 38 THR H H 38 7.480 7.480 8.012 -0.532 19974 11003 1 14 . 1 1 39 39 SER N N 39 116.050 116.050 116.329 -0.279 19974 11004 1 14 . 1 1 39 39 SER HA H 39 4.641 4.641 4.811 -0.170 19974 11005 1 14 . 1 1 39 39 SER C C 39 175.590 175.590 173.678 1.912 19974 11006 1 14 . 1 1 39 39 SER CA C 39 57.340 57.340 58.234 -0.894 19974 11007 1 14 . 1 1 39 39 SER CB C 39 64.560 64.560 65.385 -0.825 19974 11008 1 14 . 1 1 39 39 SER H H 39 8.177 8.177 8.359 -0.182 19974 11009 1 14 . 1 1 40 40 GLU N N 40 124.630 124.630 120.439 4.191 19974 11010 1 14 . 1 1 40 40 GLU HA H 40 4.118 4.118 4.451 -0.333 19974 11011 1 14 . 1 1 40 40 GLU C C 40 176.520 176.520 176.252 0.268 19974 11012 1 14 . 1 1 40 40 GLU CA C 40 58.100 58.100 56.842 1.258 19974 11013 1 14 . 1 1 40 40 GLU CB C 40 29.950 29.950 30.060 -0.110 19974 11014 1 14 . 1 1 40 40 GLU H H 40 8.905 8.905 8.623 0.282 19974 11015 1 14 . 1 1 41 41 ILE N N 41 113.290 113.290 113.782 -0.492 19974 11016 1 14 . 1 1 41 41 ILE HA H 41 4.460 4.460 4.342 0.118 19974 11017 1 14 . 1 1 41 41 ILE C C 41 175.350 175.350 174.832 0.518 19974 11018 1 14 . 1 1 41 41 ILE CA C 41 59.490 59.490 59.436 0.054 19974 11019 1 14 . 1 1 41 41 ILE CB C 41 40.150 40.150 39.270 0.880 19974 11020 1 14 . 1 1 41 41 ILE H H 41 7.446 7.446 7.319 0.127 19974 11021 1 14 . 1 1 42 42 ASP N N 42 122.230 122.230 122.362 -0.132 19974 11022 1 14 . 1 1 42 42 ASP HA H 42 4.280 4.280 4.894 -0.614 19974 11023 1 14 . 1 1 42 42 ASP C C 42 177.430 177.430 176.992 0.438 19974 11024 1 14 . 1 1 42 42 ASP CA C 42 55.360 55.360 53.467 1.893 19974 11025 1 14 . 1 1 42 42 ASP CB C 42 42.690 42.690 42.137 0.553 19974 11026 1 14 . 1 1 42 42 ASP H H 42 8.271 8.271 8.366 -0.095 19974 11027 1 14 . 1 1 43 43 VAL N N 43 122.150 122.150 123.080 -0.930 19974 11028 1 14 . 1 1 43 43 VAL HA H 43 3.569 3.569 3.545 0.024 19974 11029 1 14 . 1 1 43 43 VAL C C 43 175.780 175.780 177.529 -1.749 19974 11030 1 14 . 1 1 43 43 VAL CA C 43 65.420 65.420 65.574 -0.154 19974 11031 1 14 . 1 1 43 43 VAL CB C 43 31.300 31.300 32.103 -0.803 19974 11032 1 14 . 1 1 43 43 VAL H H 43 8.160 8.160 8.650 -0.490 19974 11033 1 14 . 1 1 44 44 PHE N N 44 121.770 121.770 120.994 0.776 19974 11034 1 14 . 1 1 44 44 PHE HA H 44 3.892 3.892 4.128 -0.236 19974 11035 1 14 . 1 1 44 44 PHE C C 44 177.140 177.140 176.119 1.021 19974 11036 1 14 . 1 1 44 44 PHE CA C 44 62.190 62.190 61.539 0.651 19974 11037 1 14 . 1 1 44 44 PHE CB C 44 38.350 38.350 38.177 0.173 19974 11038 1 14 . 1 1 44 44 PHE H H 44 8.101 8.101 8.239 -0.138 19974 11039 1 14 . 1 1 45 45 ASP N N 45 119.540 119.540 119.063 0.477 19974 11040 1 14 . 1 1 45 45 ASP HA H 45 4.106 4.106 4.140 -0.034 19974 11041 1 14 . 1 1 45 45 ASP C C 45 178.380 178.380 178.801 -0.421 19974 11042 1 14 . 1 1 45 45 ASP CA C 45 57.010 57.010 57.613 -0.603 19974 11043 1 14 . 1 1 45 45 ASP CB C 45 37.900 37.900 40.023 -2.123 19974 11044 1 14 . 1 1 45 45 ASP H H 45 7.317 7.317 8.446 -1.129 19974 11045 1 14 . 1 1 46 46 ARG N N 46 119.920 119.920 119.658 0.262 19974 11046 1 14 . 1 1 46 46 ARG HA H 46 3.733 3.733 3.868 -0.135 19974 11047 1 14 . 1 1 46 46 ARG C C 46 176.750 176.750 178.492 -1.742 19974 11048 1 14 . 1 1 46 46 ARG CA C 46 57.136 57.136 59.374 -2.238 19974 11049 1 14 . 1 1 46 46 ARG CB C 46 28.590 28.590 29.960 -1.370 19974 11050 1 14 . 1 1 46 46 ARG H H 46 8.246 8.246 7.808 0.438 19974 11051 1 14 . 1 1 47 47 ALA N N 47 120.910 120.910 121.932 -1.022 19974 11052 1 14 . 1 1 47 47 ALA HA H 47 3.048 3.048 3.965 -0.917 19974 11053 1 14 . 1 1 47 47 ALA C C 47 177.810 177.810 179.499 -1.689 19974 11054 1 14 . 1 1 47 47 ALA CA C 47 55.010 55.010 54.715 0.294 19974 11055 1 14 . 1 1 47 47 ALA CB C 47 17.400 17.400 17.808 -0.409 19974 11056 1 14 . 1 1 47 47 ALA H H 47 7.803 7.803 7.944 -0.141 19974 11057 1 14 . 1 1 48 48 MET N N 48 115.800 115.800 118.770 -2.970 19974 11058 1 14 . 1 1 48 48 MET HA H 48 2.568 2.568 3.665 -1.097 19974 11059 1 14 . 1 1 48 48 MET C C 48 177.790 177.790 177.671 0.119 19974 11060 1 14 . 1 1 48 48 MET CA C 48 58.910 58.910 59.197 -0.287 19974 11061 1 14 . 1 1 48 48 MET CB C 48 32.750 32.750 32.310 0.440 19974 11062 1 14 . 1 1 48 48 MET H H 48 7.148 7.148 7.508 -0.360 19974 11063 1 14 . 1 1 49 49 ASP N N 49 121.130 121.130 120.291 0.839 19974 11064 1 14 . 1 1 49 49 ASP HA H 49 4.326 4.326 4.339 -0.013 19974 11065 1 14 . 1 1 49 49 ASP C C 49 178.960 178.960 179.177 -0.217 19974 11066 1 14 . 1 1 49 49 ASP CA C 49 57.330 57.330 58.065 -0.735 19974 11067 1 14 . 1 1 49 49 ASP CB C 49 40.180 40.180 40.758 -0.578 19974 11068 1 14 . 1 1 49 49 ASP H H 49 7.656 7.656 8.316 -0.660 19974 11069 1 14 . 1 1 50 50 VAL N N 50 122.030 122.030 119.804 2.226 19974 11070 1 14 . 1 1 50 50 VAL HA H 50 3.150 3.150 3.634 -0.484 19974 11071 1 14 . 1 1 50 50 VAL C C 50 176.610 176.610 177.791 -1.181 19974 11072 1 14 . 1 1 50 50 VAL CA C 50 66.980 66.980 66.193 0.787 19974 11073 1 14 . 1 1 50 50 VAL CB C 50 30.450 30.450 31.766 -1.316 19974 11074 1 14 . 1 1 50 50 VAL H H 50 8.506 8.506 8.418 0.088 19974 11075 1 14 . 1 1 51 51 PHE N N 51 120.010 120.010 121.214 -1.204 19974 11076 1 14 . 1 1 51 51 PHE HA H 51 3.701 3.701 4.056 -0.355 19974 11077 1 14 . 1 1 51 51 PHE C C 51 176.990 176.990 177.160 -0.170 19974 11078 1 14 . 1 1 51 51 PHE CA C 51 61.610 61.610 62.091 -0.481 19974 11079 1 14 . 1 1 51 51 PHE CB C 51 39.350 39.350 39.225 0.125 19974 11080 1 14 . 1 1 51 51 PHE H H 51 8.236 8.236 8.100 0.136 19974 11081 1 14 . 1 1 52 52 HIS N N 52 114.400 114.400 116.554 -2.154 19974 11082 1 14 . 1 1 52 52 HIS HA H 52 4.322 4.322 4.400 -0.078 19974 11083 1 14 . 1 1 52 52 HIS C C 52 179.389 179.389 178.440 0.949 19974 11084 1 14 . 1 1 52 52 HIS CA C 52 59.670 59.670 60.089 -0.419 19974 11085 1 14 . 1 1 52 52 HIS CB C 52 28.380 28.380 29.933 -1.554 19974 11086 1 14 . 1 1 52 52 HIS H H 52 7.595 7.595 8.768 -1.173 19974 11087 1 14 . 1 1 53 53 ASN N N 53 125.300 125.300 119.531 5.769 19974 11088 1 14 . 1 1 53 53 ASN HA H 53 4.346 4.346 4.549 -0.203 19974 11089 1 14 . 1 1 53 53 ASN C C 53 177.560 177.560 176.993 0.567 19974 11090 1 14 . 1 1 53 53 ASN CA C 53 56.260 56.260 55.400 0.860 19974 11091 1 14 . 1 1 53 53 ASN CB C 53 38.020 38.020 38.428 -0.408 19974 11092 1 14 . 1 1 53 53 ASN H H 53 9.216 9.216 8.477 0.739 19974 11093 1 14 . 1 1 54 54 LEU N N 54 117.070 117.070 117.731 -0.661 19974 11094 1 14 . 1 1 54 54 LEU HA H 54 4.114 4.114 4.241 -0.127 19974 11095 1 14 . 1 1 54 54 LEU C C 54 175.780 175.780 175.814 -0.034 19974 11096 1 14 . 1 1 54 54 LEU CA C 54 54.400 54.400 55.175 -0.775 19974 11097 1 14 . 1 1 54 54 LEU CB C 54 42.810 42.810 42.143 0.667 19974 11098 1 14 . 1 1 54 54 LEU H H 54 8.270 8.270 7.743 0.527 19974 11099 1 14 . 1 1 55 55 LYS N N 55 116.580 116.580 114.998 1.582 19974 11100 1 14 . 1 1 55 55 LYS HA H 55 3.954 3.954 3.911 0.043 19974 11101 1 14 . 1 1 55 55 LYS C C 55 177.650 177.650 177.649 0.001 19974 11102 1 14 . 1 1 55 55 LYS CA C 55 56.630 56.630 57.221 -0.591 19974 11103 1 14 . 1 1 55 55 LYS CB C 55 28.110 28.110 29.920 -1.810 19974 11104 1 14 . 1 1 55 55 LYS H H 55 7.953 7.953 7.517 0.436 19974 11105 1 14 . 1 1 56 56 MET N N 56 114.460 114.460 116.189 -1.729 19974 11106 1 14 . 1 1 56 56 MET HA H 56 3.624 3.624 3.905 -0.281 19974 11107 1 14 . 1 1 56 56 MET C C 56 174.010 174.010 176.835 -2.825 19974 11108 1 14 . 1 1 56 56 MET CA C 56 56.800 56.800 57.121 -0.321 19974 11109 1 14 . 1 1 56 56 MET CB C 56 28.620 28.620 30.486 -1.866 19974 11110 1 14 . 1 1 56 56 MET H H 56 7.496 7.496 7.322 0.174 19974 11111 1 14 . 1 1 57 57 ASP N N 57 113.610 113.610 116.315 -2.705 19974 11112 1 14 . 1 1 57 57 ASP HA H 57 4.490 4.490 4.727 -0.237 19974 11113 1 14 . 1 1 57 57 ASP C C 57 176.060 176.060 177.000 -0.940 19974 11114 1 14 . 1 1 57 57 ASP CA C 57 53.030 53.030 54.379 -1.349 19974 11115 1 14 . 1 1 57 57 ASP CB C 57 38.940 38.940 39.775 -0.835 19974 11116 1 14 . 1 1 57 57 ASP H H 57 8.921 8.921 8.301 0.620 19974 11117 1 14 . 1 1 58 58 ASN N N 58 119.880 119.880 119.631 0.249 19974 11118 1 14 . 1 1 58 58 ASN HA H 58 4.885 4.885 4.647 0.238 19974 11119 1 14 . 1 1 58 58 ASN C C 58 174.060 174.060 174.423 -0.363 19974 11120 1 14 . 1 1 58 58 ASN CA C 58 52.190 52.190 53.138 -0.948 19974 11121 1 14 . 1 1 58 58 ASN CB C 58 37.230 37.230 37.844 -0.614 19974 11122 1 14 . 1 1 58 58 ASN H H 58 7.070 7.070 7.606 -0.536 19974 11123 1 14 . 1 1 59 59 THR N N 59 108.570 108.570 111.523 -2.953 19974 11124 1 14 . 1 1 59 59 THR HA H 59 4.449 4.449 4.938 -0.489 19974 11125 1 14 . 1 1 59 59 THR C C 59 175.810 175.810 174.925 0.885 19974 11126 1 14 . 1 1 59 59 THR CA C 59 59.600 59.600 59.825 -0.225 19974 11127 1 14 . 1 1 59 59 THR CB C 59 70.900 70.900 72.100 -1.200 19974 11128 1 14 . 1 1 59 59 THR H H 59 7.636 7.636 7.758 -0.122 19974 11129 1 14 . 1 1 60 60 LYS N N 60 126.400 126.400 126.263 0.137 19974 11130 1 14 . 1 1 60 60 LYS HA H 60 3.923 3.923 4.125 -0.202 19974 11131 1 14 . 1 1 60 60 LYS C C 60 179.030 179.030 176.807 2.223 19974 11132 1 14 . 1 1 60 60 LYS CA C 60 59.600 59.600 58.688 0.912 19974 11133 1 14 . 1 1 60 60 LYS CB C 60 32.480 32.480 32.510 -0.030 19974 11134 1 14 . 1 1 60 60 LYS H H 60 10.322 10.322 9.294 1.028 19974 11135 1 14 . 1 1 61 61 LEU N N 61 114.780 114.780 116.787 -2.007 19974 11136 1 14 . 1 1 61 61 LEU HA H 61 4.430 4.430 4.437 -0.007 19974 11137 1 14 . 1 1 61 61 LEU C C 61 175.660 175.660 175.783 -0.123 19974 11138 1 14 . 1 1 61 61 LEU CA C 61 52.830 52.830 54.064 -1.234 19974 11139 1 14 . 1 1 61 61 LEU CB C 61 40.470 40.470 42.532 -2.062 19974 11140 1 14 . 1 1 61 61 LEU H H 61 8.555 8.555 7.881 0.674 19974 11141 1 14 . 1 1 62 62 GLN N N 62 116.490 116.490 114.303 2.187 19974 11142 1 14 . 1 1 62 62 GLN HA H 62 3.715 3.715 4.009 -0.294 19974 11143 1 14 . 1 1 62 62 GLN C C 62 175.060 175.060 174.900 0.160 19974 11144 1 14 . 1 1 62 62 GLN CA C 62 56.440 56.440 56.449 -0.009 19974 11145 1 14 . 1 1 62 62 GLN CB C 62 26.480 26.480 26.085 0.395 19974 11146 1 14 . 1 1 62 62 GLN H H 62 7.526 7.526 7.610 -0.084 19974 11147 1 14 . 1 1 63 63 ASN N N 63 114.760 114.760 115.299 -0.539 19974 11148 1 14 . 1 1 63 63 ASN HA H 63 4.352 4.352 4.888 -0.536 19974 11149 1 14 . 1 1 63 63 ASN C C 63 173.790 173.790 175.259 -1.469 19974 11150 1 14 . 1 1 63 63 ASN CA C 63 50.680 50.680 52.237 -1.557 19974 11151 1 14 . 1 1 63 63 ASN CB C 63 35.110 35.110 39.639 -4.529 19974 11152 1 14 . 1 1 63 63 ASN H H 63 8.243 8.243 7.836 0.407 19974 11153 1 14 . 1 1 64 64 GLY N N 64 105.820 105.820 108.181 -2.361 19974 11154 1 14 . 1 1 64 64 GLY C C 64 172.650 172.650 173.085 -0.435 19974 11155 1 14 . 1 1 64 64 GLY CA C 64 44.136 44.136 45.518 -1.382 19974 11156 1 14 . 1 1 64 64 GLY H H 64 8.618 8.618 7.662 0.956 19974 11157 1 14 . 1 1 65 65 VAL N N 65 120.490 120.490 124.285 -3.795 19974 11158 1 14 . 1 1 65 65 VAL HA H 65 4.814 4.814 4.997 -0.183 19974 11159 1 14 . 1 1 65 65 VAL C C 65 172.610 172.610 174.302 -1.692 19974 11160 1 14 . 1 1 65 65 VAL CA C 65 60.890 60.890 61.230 -0.340 19974 11161 1 14 . 1 1 65 65 VAL CB C 65 35.570 35.570 35.279 0.291 19974 11162 1 14 . 1 1 65 65 VAL H H 65 9.053 9.053 9.224 -0.171 19974 11163 1 14 . 1 1 66 66 LEU N N 66 127.740 127.740 128.356 -0.616 19974 11164 1 14 . 1 1 66 66 LEU HA H 66 5.097 5.097 5.348 -0.251 19974 11165 1 14 . 1 1 66 66 LEU C C 66 175.120 175.120 174.932 0.188 19974 11166 1 14 . 1 1 66 66 LEU CA C 66 51.870 51.870 53.448 -1.578 19974 11167 1 14 . 1 1 66 66 LEU CB C 66 47.520 47.520 46.347 1.173 19974 11168 1 14 . 1 1 66 66 LEU H H 66 9.245 9.245 9.513 -0.268 19974 11169 1 14 . 1 1 67 67 ILE N N 67 126.030 126.030 128.105 -2.075 19974 11170 1 14 . 1 1 67 67 ILE HA H 67 4.484 4.484 4.775 -0.291 19974 11171 1 14 . 1 1 67 67 ILE C C 67 173.290 173.290 174.975 -1.685 19974 11172 1 14 . 1 1 67 67 ILE CA C 67 61.090 61.090 60.395 0.695 19974 11173 1 14 . 1 1 67 67 ILE CB C 67 37.480 37.480 37.900 -0.420 19974 11174 1 14 . 1 1 67 67 ILE H H 67 8.974 8.974 8.984 -0.010 19974 11175 1 14 . 1 1 68 68 TYR N N 68 129.400 129.400 130.121 -0.721 19974 11176 1 14 . 1 1 68 68 TYR HA H 68 4.887 4.887 5.114 -0.227 19974 11177 1 14 . 1 1 68 68 TYR C C 68 174.140 174.140 174.109 0.031 19974 11178 1 14 . 1 1 68 68 TYR CA C 68 56.990 56.990 57.862 -0.872 19974 11179 1 14 . 1 1 68 68 TYR CB C 68 40.790 40.790 39.495 1.295 19974 11180 1 14 . 1 1 68 68 TYR H H 68 8.999 8.999 8.326 0.673 19974 11181 1 14 . 1 1 69 69 VAL N N 69 126.790 126.790 128.093 -1.303 19974 11182 1 14 . 1 1 69 69 VAL HA H 69 4.401 4.401 4.670 -0.269 19974 11183 1 14 . 1 1 69 69 VAL C C 69 172.350 172.350 173.693 -1.343 19974 11184 1 14 . 1 1 69 69 VAL CA C 69 60.810 60.810 60.554 0.256 19974 11185 1 14 . 1 1 69 69 VAL CB C 69 34.360 34.360 35.451 -1.091 19974 11186 1 14 . 1 1 69 69 VAL H H 69 8.378 8.378 8.810 -0.432 19974 11187 1 14 . 1 1 70 70 ALA N N 70 129.770 129.770 129.376 0.394 19974 11188 1 14 . 1 1 70 70 ALA HA H 70 4.592 4.592 5.254 -0.662 19974 11189 1 14 . 1 1 70 70 ALA C C 70 177.620 177.620 177.960 -0.340 19974 11190 1 14 . 1 1 70 70 ALA CA C 70 49.210 49.210 49.861 -0.651 19974 11191 1 14 . 1 1 70 70 ALA CB C 70 17.470 17.470 20.204 -2.734 19974 11192 1 14 . 1 1 70 70 ALA H H 70 8.078 8.078 8.773 -0.695 19974 11193 1 14 . 1 1 71 71 VAL N N 71 120.880 120.880 118.943 1.937 19974 11194 1 14 . 1 1 71 71 VAL HA H 71 2.847 2.847 3.578 -0.731 19974 11195 1 14 . 1 1 71 71 VAL C C 71 178.310 178.310 176.665 1.645 19974 11196 1 14 . 1 1 71 71 VAL CA C 71 66.030 66.030 65.061 0.969 19974 11197 1 14 . 1 1 71 71 VAL CB C 71 32.110 32.110 31.572 0.538 19974 11198 1 14 . 1 1 71 71 VAL H H 71 8.597 8.597 8.536 0.061 19974 11199 1 14 . 1 1 72 72 GLU N N 72 119.350 119.350 121.410 -2.060 19974 11200 1 14 . 1 1 72 72 GLU HA H 72 3.955 3.955 4.243 -0.288 19974 11201 1 14 . 1 1 72 72 GLU C C 72 177.650 177.650 178.080 -0.430 19974 11202 1 14 . 1 1 72 72 GLU CA C 72 59.260 59.260 58.563 0.697 19974 11203 1 14 . 1 1 72 72 GLU CB C 72 28.940 28.940 29.707 -0.767 19974 11204 1 14 . 1 1 72 72 GLU H H 72 9.107 9.107 8.090 1.017 19974 11205 1 14 . 1 1 73 73 ASP N N 73 115.250 115.250 117.548 -2.298 19974 11206 1 14 . 1 1 73 73 ASP HA H 73 4.544 4.544 4.742 -0.198 19974 11207 1 14 . 1 1 73 73 ASP C C 73 175.460 175.460 175.546 -0.086 19974 11208 1 14 . 1 1 73 73 ASP CA C 73 54.030 54.030 53.911 0.119 19974 11209 1 14 . 1 1 73 73 ASP CB C 73 41.350 41.350 41.022 0.328 19974 11210 1 14 . 1 1 73 73 ASP H H 73 7.039 7.039 8.262 -1.223 19974 11211 1 14 . 1 1 74 74 LYS N N 74 115.850 115.850 116.699 -0.849 19974 11212 1 14 . 1 1 74 74 LYS HA H 74 3.502 3.502 4.023 -0.521 19974 11213 1 14 . 1 1 74 74 LYS C C 74 174.920 174.920 175.244 -0.324 19974 11214 1 14 . 1 1 74 74 LYS CA C 74 57.180 57.180 57.566 -0.386 19974 11215 1 14 . 1 1 74 74 LYS CB C 74 29.100 29.100 31.022 -1.922 19974 11216 1 14 . 1 1 74 74 LYS H H 74 8.012 8.012 7.688 0.324 19974 11217 1 14 . 1 1 75 75 THR N N 75 111.710 111.710 115.966 -4.256 19974 11218 1 14 . 1 1 75 75 THR HA H 75 4.725 4.725 4.455 0.271 19974 11219 1 14 . 1 1 75 75 THR C C 75 172.150 172.150 173.710 -1.560 19974 11220 1 14 . 1 1 75 75 THR CA C 75 60.740 60.740 61.894 -1.154 19974 11221 1 14 . 1 1 75 75 THR CB C 75 70.900 70.900 69.121 1.779 19974 11222 1 14 . 1 1 75 75 THR H H 75 7.763 7.763 7.478 0.285 19974 11223 1 14 . 1 1 76 76 PHE N N 76 117.220 117.220 126.819 -9.599 19974 11224 1 14 . 1 1 76 76 PHE HA H 76 5.968 5.968 5.212 0.756 19974 11225 1 14 . 1 1 76 76 PHE C C 76 173.250 173.250 174.130 -0.880 19974 11226 1 14 . 1 1 76 76 PHE CA C 76 54.920 54.920 55.506 -0.586 19974 11227 1 14 . 1 1 76 76 PHE CB C 76 42.780 42.780 39.805 2.975 19974 11228 1 14 . 1 1 76 76 PHE H H 76 7.992 7.992 8.403 -0.411 19974 11229 1 14 . 1 1 77 77 VAL N N 77 120.030 120.030 122.165 -2.135 19974 11230 1 14 . 1 1 77 77 VAL HA H 77 4.015 4.015 4.379 -0.364 19974 11231 1 14 . 1 1 77 77 VAL C C 77 173.310 173.310 174.581 -1.271 19974 11232 1 14 . 1 1 77 77 VAL CA C 77 60.840 60.840 60.857 -0.017 19974 11233 1 14 . 1 1 77 77 VAL CB C 77 37.410 37.410 35.987 1.423 19974 11234 1 14 . 1 1 77 77 VAL H H 77 9.447 9.447 9.091 0.356 19974 11235 1 14 . 1 1 78 78 ILE N N 78 125.240 125.240 121.864 3.376 19974 11236 1 14 . 1 1 78 78 ILE HA H 78 4.433 4.433 4.813 -0.380 19974 11237 1 14 . 1 1 78 78 ILE C C 78 174.090 174.090 174.878 -0.788 19974 11238 1 14 . 1 1 78 78 ILE CA C 78 60.081 60.081 60.558 -0.477 19974 11239 1 14 . 1 1 78 78 ILE CB C 78 38.340 38.340 40.338 -1.998 19974 11240 1 14 . 1 1 78 78 ILE H H 78 8.155 8.155 8.254 -0.099 19974 11241 1 14 . 1 1 79 79 TYR N N 79 130.130 130.130 128.608 1.522 19974 11242 1 14 . 1 1 79 79 TYR HA H 79 4.422 4.422 4.903 -0.481 19974 11243 1 14 . 1 1 79 79 TYR C C 79 172.740 172.740 173.567 -0.827 19974 11244 1 14 . 1 1 79 79 TYR CA C 79 57.390 57.390 57.300 0.090 19974 11245 1 14 . 1 1 79 79 TYR CB C 79 40.820 40.820 42.739 -1.919 19974 11246 1 14 . 1 1 79 79 TYR H H 79 9.328 9.328 9.357 -0.029 19974 11247 1 14 . 1 1 80 80 GLY N N 80 114.140 114.140 112.902 1.238 19974 11248 1 14 . 1 1 80 80 GLY C C 80 171.090 171.090 172.764 -1.674 19974 11249 1 14 . 1 1 80 80 GLY CA C 80 42.860 42.860 43.215 -0.355 19974 11250 1 14 . 1 1 80 80 GLY H H 80 7.837 7.837 7.841 -0.004 19974 11251 1 14 . 1 1 81 81 ASP N N 81 115.660 115.660 120.163 -4.503 19974 11252 1 14 . 1 1 81 81 ASP HA H 81 4.248 4.248 4.270 -0.022 19974 11253 1 14 . 1 1 81 81 ASP C C 81 176.980 176.980 177.934 -0.954 19974 11254 1 14 . 1 1 81 81 ASP CA C 81 51.950 51.950 52.884 -0.934 19974 11255 1 14 . 1 1 81 81 ASP CB C 81 41.260 41.260 42.986 -1.726 19974 11256 1 14 . 1 1 81 81 ASP H H 81 7.633 7.633 8.428 -0.795 19974 11257 1 14 . 1 1 82 82 LYS N N 82 120.470 120.470 120.786 -0.316 19974 11258 1 14 . 1 1 82 82 LYS HA H 82 3.764 3.764 3.926 -0.162 19974 11259 1 14 . 1 1 82 82 LYS C C 82 176.350 176.350 178.790 -2.440 19974 11260 1 14 . 1 1 82 82 LYS CA C 82 59.290 59.290 59.438 -0.148 19974 11261 1 14 . 1 1 82 82 LYS CB C 82 33.720 33.720 32.516 1.204 19974 11262 1 14 . 1 1 82 82 LYS H H 82 9.212 9.212 8.444 0.768 19974 11263 1 14 . 1 1 83 83 GLY N N 83 105.260 105.260 107.613 -2.353 19974 11264 1 14 . 1 1 83 83 GLY C C 83 176.540 176.540 175.843 0.697 19974 11265 1 14 . 1 1 83 83 GLY CA C 83 46.260 46.260 46.916 -0.656 19974 11266 1 14 . 1 1 83 83 GLY H H 83 8.367 8.367 8.169 0.198 19974 11267 1 14 . 1 1 84 84 ILE N N 84 117.510 117.510 123.158 -5.648 19974 11268 1 14 . 1 1 84 84 ILE HA H 84 3.644 3.644 3.604 0.040 19974 11269 1 14 . 1 1 84 84 ILE C C 84 177.010 177.010 177.711 -0.701 19974 11270 1 14 . 1 1 84 84 ILE CA C 84 63.636 63.636 65.658 -2.022 19974 11271 1 14 . 1 1 84 84 ILE CB C 84 38.820 38.820 37.958 0.862 19974 11272 1 14 . 1 1 84 84 ILE H H 84 7.040 7.040 7.386 -0.346 19974 11273 1 14 . 1 1 85 85 ASN N N 85 117.400 117.400 115.803 1.597 19974 11274 1 14 . 1 1 85 85 ASN HA H 85 4.115 4.115 4.459 -0.344 19974 11275 1 14 . 1 1 85 85 ASN C C 85 176.600 176.600 176.570 0.030 19974 11276 1 14 . 1 1 85 85 ASN CA C 85 55.840 55.840 55.554 0.286 19974 11277 1 14 . 1 1 85 85 ASN CB C 85 37.720 37.720 37.907 -0.188 19974 11278 1 14 . 1 1 85 85 ASN H H 85 7.351 7.351 7.861 -0.510 19974 11279 1 14 . 1 1 86 86 ASP N N 86 115.890 115.890 119.035 -3.145 19974 11280 1 14 . 1 1 86 86 ASP HA H 86 4.391 4.391 4.584 -0.193 19974 11281 1 14 . 1 1 86 86 ASP C C 86 177.240 177.240 178.039 -0.799 19974 11282 1 14 . 1 1 86 86 ASP CA C 86 56.260 56.260 56.041 0.219 19974 11283 1 14 . 1 1 86 86 ASP CB C 86 41.200 41.200 41.644 -0.444 19974 11284 1 14 . 1 1 86 86 ASP H H 86 8.377 8.377 7.853 0.524 19974 11285 1 14 . 1 1 87 87 VAL N N 87 109.640 109.640 115.185 -5.545 19974 11286 1 14 . 1 1 87 87 VAL HA H 87 4.473 4.473 4.292 0.181 19974 11287 1 14 . 1 1 87 87 VAL C C 87 175.780 175.780 176.170 -0.390 19974 11288 1 14 . 1 1 87 87 VAL CA C 87 61.320 61.320 63.165 -1.845 19974 11289 1 14 . 1 1 87 87 VAL CB C 87 34.170 34.170 33.166 1.004 19974 11290 1 14 . 1 1 87 87 VAL H H 87 7.196 7.196 7.724 -0.528 19974 11291 1 14 . 1 1 88 88 VAL N N 88 113.200 113.200 114.452 -1.252 19974 11292 1 14 . 1 1 88 88 VAL HA H 88 3.789 3.789 4.152 -0.363 19974 11293 1 14 . 1 1 88 88 VAL C C 88 175.760 175.760 174.637 1.123 19974 11294 1 14 . 1 1 88 88 VAL CA C 88 60.640 60.640 59.735 0.905 19974 11295 1 14 . 1 1 88 88 VAL CB C 88 32.970 32.970 33.224 -0.254 19974 11296 1 14 . 1 1 88 88 VAL H H 88 6.921 6.921 7.879 -0.958 19974 11297 1 14 . 1 1 89 89 SER N N 89 114.460 114.460 114.296 0.164 19974 11298 1 14 . 1 1 89 89 SER HA H 89 4.546 4.546 4.734 -0.188 19974 11299 1 14 . 1 1 89 89 SER C C 89 175.720 175.720 174.752 0.968 19974 11300 1 14 . 1 1 89 89 SER CA C 89 57.330 57.330 56.525 0.805 19974 11301 1 14 . 1 1 89 89 SER CB C 89 64.500 64.500 66.191 -1.691 19974 11302 1 14 . 1 1 89 89 SER H H 89 7.738 7.738 8.042 -0.304 19974 11303 1 14 . 1 1 90 90 ASP N N 90 120.250 120.250 121.685 -1.435 19974 11304 1 14 . 1 1 90 90 ASP HA H 90 4.361 4.361 4.522 -0.161 19974 11305 1 14 . 1 1 90 90 ASP C C 90 176.630 176.630 178.101 -1.471 19974 11306 1 14 . 1 1 90 90 ASP CA C 90 57.050 57.050 57.343 -0.293 19974 11307 1 14 . 1 1 90 90 ASP CB C 90 40.540 40.540 40.630 -0.090 19974 11308 1 14 . 1 1 90 90 ASP H H 90 8.687 8.687 8.968 -0.281 19974 11309 1 14 . 1 1 91 91 ASP N N 91 116.800 116.800 117.952 -1.152 19974 11310 1 14 . 1 1 91 91 ASP HA H 91 4.605 4.605 4.463 0.142 19974 11311 1 14 . 1 1 91 91 ASP C C 91 177.610 177.610 177.706 -0.096 19974 11312 1 14 . 1 1 91 91 ASP CA C 91 52.890 52.890 57.411 -4.521 19974 11313 1 14 . 1 1 91 91 ASP CB C 91 40.230 40.230 40.607 -0.377 19974 11314 1 14 . 1 1 91 91 ASP H H 91 8.250 8.250 8.716 -0.466 19974 11315 1 14 . 1 1 92 92 PHE N N 92 122.130 122.130 120.574 1.556 19974 11316 1 14 . 1 1 92 92 PHE HA H 92 3.857 3.857 4.352 -0.495 19974 11317 1 14 . 1 1 92 92 PHE C C 92 177.040 177.040 176.481 0.559 19974 11318 1 14 . 1 1 92 92 PHE CA C 92 61.910 61.910 60.520 1.390 19974 11319 1 14 . 1 1 92 92 PHE CB C 92 40.696 40.696 39.628 1.068 19974 11320 1 14 . 1 1 92 92 PHE H H 92 7.564 7.564 7.752 -0.188 19974 11321 1 14 . 1 1 93 93 TRP N N 93 113.980 113.980 119.860 -5.880 19974 11322 1 14 . 1 1 93 93 TRP HA H 93 4.726 4.726 4.518 0.208 19974 11323 1 14 . 1 1 93 93 TRP C C 93 176.420 176.420 178.145 -1.725 19974 11324 1 14 . 1 1 93 93 TRP CA C 93 56.020 56.020 60.053 -4.033 19974 11325 1 14 . 1 1 93 93 TRP CB C 93 29.990 29.990 29.294 0.696 19974 11326 1 14 . 1 1 93 93 TRP H H 93 8.532 8.532 8.017 0.515 19974 11327 1 14 . 1 1 94 94 ASP N N 94 122.120 122.120 118.967 3.153 19974 11328 1 14 . 1 1 94 94 ASP HA H 94 4.228 4.228 4.473 -0.245 19974 11329 1 14 . 1 1 94 94 ASP C C 94 178.550 178.550 178.556 -0.006 19974 11330 1 14 . 1 1 94 94 ASP CA C 94 59.120 59.120 57.886 1.234 19974 11331 1 14 . 1 1 94 94 ASP CB C 94 39.140 39.140 40.419 -1.279 19974 11332 1 14 . 1 1 94 94 ASP H H 94 7.904 7.904 8.805 -0.901 19974 11333 1 14 . 1 1 95 95 THR N N 95 111.200 111.200 115.851 -4.651 19974 11334 1 14 . 1 1 95 95 THR HA H 95 4.004 4.004 4.019 -0.015 19974 11335 1 14 . 1 1 95 95 THR C C 95 177.630 177.630 176.465 1.165 19974 11336 1 14 . 1 1 95 95 THR CA C 95 65.560 65.560 66.904 -1.344 19974 11337 1 14 . 1 1 95 95 THR CB C 95 68.230 68.230 68.590 -0.360 19974 11338 1 14 . 1 1 95 95 THR H H 95 8.559 8.559 7.803 0.756 19974 11339 1 14 . 1 1 96 96 THR N N 96 123.230 123.230 118.671 4.559 19974 11340 1 14 . 1 1 96 96 THR HA H 96 3.725 3.725 3.816 -0.091 19974 11341 1 14 . 1 1 96 96 THR C C 96 175.410 175.410 176.531 -1.121 19974 11342 1 14 . 1 1 96 96 THR CA C 96 68.286 68.286 66.960 1.326 19974 11343 1 14 . 1 1 96 96 THR CB C 96 68.200 68.200 68.315 -0.115 19974 11344 1 14 . 1 1 96 96 THR H H 96 7.991 7.991 7.425 0.566 19974 11345 1 14 . 1 1 97 97 ARG N N 97 119.960 119.960 121.180 -1.220 19974 11346 1 14 . 1 1 97 97 ARG HA H 97 3.829 3.829 4.057 -0.228 19974 11347 1 14 . 1 1 97 97 ARG C C 97 178.320 178.320 178.711 -0.391 19974 11348 1 14 . 1 1 97 97 ARG CA C 97 60.390 60.390 60.043 0.347 19974 11349 1 14 . 1 1 97 97 ARG CB C 97 29.870 29.870 30.235 -0.365 19974 11350 1 14 . 1 1 97 97 ARG H H 97 8.825 8.825 7.962 0.863 19974 11351 1 14 . 1 1 98 98 ASN N N 98 115.680 115.680 117.934 -2.254 19974 11352 1 14 . 1 1 98 98 ASN HA H 98 4.390 4.390 4.521 -0.131 19974 11353 1 14 . 1 1 98 98 ASN C C 98 176.620 176.620 177.505 -0.885 19974 11354 1 14 . 1 1 98 98 ASN CA C 98 56.050 56.050 55.890 0.160 19974 11355 1 14 . 1 1 98 98 ASN CB C 98 38.220 38.220 38.175 0.045 19974 11356 1 14 . 1 1 98 98 ASN H H 98 8.508 8.508 8.174 0.334 19974 11357 1 14 . 1 1 99 99 ALA N N 99 120.830 120.830 123.566 -2.736 19974 11358 1 14 . 1 1 99 99 ALA HA H 99 4.020 4.020 4.063 -0.043 19974 11359 1 14 . 1 1 99 99 ALA C C 99 179.800 179.800 179.558 0.242 19974 11360 1 14 . 1 1 99 99 ALA CA C 99 54.770 54.770 55.048 -0.278 19974 11361 1 14 . 1 1 99 99 ALA CB C 99 18.110 18.110 18.439 -0.328 19974 11362 1 14 . 1 1 99 99 ALA H H 99 7.447 7.447 8.099 -0.652 19974 11363 1 14 . 1 1 100 100 ILE N N 100 116.240 116.240 119.230 -2.990 19974 11364 1 14 . 1 1 100 100 ILE HA H 100 3.203 3.203 3.653 -0.450 19974 11365 1 14 . 1 1 100 100 ILE C C 100 178.050 178.050 177.672 0.378 19974 11366 1 14 . 1 1 100 100 ILE CA C 100 64.550 64.550 65.181 -0.631 19974 11367 1 14 . 1 1 100 100 ILE CB C 100 37.640 37.640 37.574 0.066 19974 11368 1 14 . 1 1 100 100 ILE H H 100 7.339 7.339 7.579 -0.240 19974 11369 1 14 . 1 1 101 101 GLN N N 101 118.750 118.750 119.291 -0.541 19974 11370 1 14 . 1 1 101 101 GLN HA H 101 3.917 3.917 3.519 0.398 19974 11371 1 14 . 1 1 101 101 GLN C C 101 177.870 177.870 178.320 -0.450 19974 11372 1 14 . 1 1 101 101 GLN CA C 101 59.200 59.200 59.058 0.142 19974 11373 1 14 . 1 1 101 101 GLN CB C 101 28.860 28.860 28.813 0.047 19974 11374 1 14 . 1 1 101 101 GLN H H 101 8.359 8.359 8.250 0.109 19974 11375 1 14 . 1 1 102 102 LEU N N 102 117.790 117.790 120.012 -2.222 19974 11376 1 14 . 1 1 102 102 LEU HA H 102 3.951 3.951 4.062 -0.111 19974 11377 1 14 . 1 1 102 102 LEU C C 102 179.550 179.550 178.913 0.637 19974 11378 1 14 . 1 1 102 102 LEU CA C 102 58.190 58.190 58.493 -0.303 19974 11379 1 14 . 1 1 102 102 LEU CB C 102 42.320 42.320 41.765 0.555 19974 11380 1 14 . 1 1 102 102 LEU H H 102 8.119 8.119 7.678 0.441 19974 11381 1 14 . 1 1 103 103 GLN N N 103 113.650 113.650 117.799 -4.149 19974 11382 1 14 . 1 1 103 103 GLN HA H 103 4.426 4.426 4.122 0.304 19974 11383 1 14 . 1 1 103 103 GLN C C 103 179.680 179.680 178.983 0.697 19974 11384 1 14 . 1 1 103 103 GLN CA C 103 56.550 56.550 58.386 -1.836 19974 11385 1 14 . 1 1 103 103 GLN CB C 103 27.480 27.480 28.370 -0.891 19974 11386 1 14 . 1 1 103 103 GLN H H 103 6.636 6.636 7.677 -1.041 19974 11387 1 14 . 1 1 104 104 PHE N N 104 123.740 123.740 120.933 2.807 19974 11388 1 14 . 1 1 104 104 PHE HA H 104 3.895 3.895 4.280 -0.385 19974 11389 1 14 . 1 1 104 104 PHE C C 104 180.130 180.130 177.661 2.469 19974 11390 1 14 . 1 1 104 104 PHE CA C 104 59.760 59.760 61.895 -2.135 19974 11391 1 14 . 1 1 104 104 PHE CB C 104 36.620 36.620 38.894 -2.273 19974 11392 1 14 . 1 1 104 104 PHE H H 104 9.161 9.161 8.754 0.407 19974 11393 1 14 . 1 1 105 105 LYS N N 105 119.280 119.280 118.668 0.612 19974 11394 1 14 . 1 1 105 105 LYS HA H 105 4.126 4.126 4.072 0.054 19974 11395 1 14 . 1 1 105 105 LYS C C 105 177.290 177.290 178.306 -1.016 19974 11396 1 14 . 1 1 105 105 LYS CA C 105 58.913 58.913 58.922 -0.009 19974 11397 1 14 . 1 1 105 105 LYS CB C 105 31.920 31.920 32.258 -0.338 19974 11398 1 14 . 1 1 105 105 LYS H H 105 8.519 8.519 8.255 0.264 19974 11399 1 14 . 1 1 106 106 GLN N N 106 114.530 114.530 116.743 -2.213 19974 11400 1 14 . 1 1 106 106 GLN HA H 106 4.415 4.415 4.182 0.233 19974 11401 1 14 . 1 1 106 106 GLN C C 106 175.450 175.450 176.829 -1.379 19974 11402 1 14 . 1 1 106 106 GLN CA C 106 54.850 54.850 57.095 -2.245 19974 11403 1 14 . 1 1 106 106 GLN CB C 106 30.010 30.010 29.956 0.054 19974 11404 1 14 . 1 1 106 106 GLN H H 106 6.934 6.934 7.599 -0.665 19974 11405 1 14 . 1 1 107 107 GLY N N 107 106.800 106.800 105.799 1.001 19974 11406 1 14 . 1 1 107 107 GLY C C 107 173.140 173.140 173.517 -0.377 19974 11407 1 14 . 1 1 107 107 GLY CA C 107 44.930 44.930 44.303 0.627 19974 11408 1 14 . 1 1 107 107 GLY H H 107 7.722 7.722 8.135 -0.413 19974 11409 1 14 . 1 1 108 108 ASN N N 108 120.230 120.230 121.266 -1.036 19974 11410 1 14 . 1 1 108 108 ASN HA H 108 4.827 4.827 4.811 0.016 19974 11411 1 14 . 1 1 108 108 ASN C C 108 174.820 174.820 175.256 -0.436 19974 11412 1 14 . 1 1 108 108 ASN CA C 108 50.520 50.520 50.508 0.012 19974 11413 1 14 . 1 1 108 108 ASN CB C 108 37.090 37.090 37.992 -0.902 19974 11414 1 14 . 1 1 108 108 ASN H H 108 7.654 7.654 8.193 -0.539 19974 11415 1 14 . 1 1 109 109 PHE N N 109 122.130 122.130 122.070 0.060 19974 11416 1 14 . 1 1 109 109 PHE HA H 109 4.038 4.038 3.176 0.862 19974 11417 1 14 . 1 1 109 109 PHE C C 109 177.270 177.270 177.518 -0.248 19974 11418 1 14 . 1 1 109 109 PHE CA C 109 60.670 60.670 60.805 -0.135 19974 11419 1 14 . 1 1 109 109 PHE CB C 109 38.220 38.220 38.015 0.205 19974 11420 1 14 . 1 1 109 109 PHE H H 109 7.231 7.231 7.106 0.125 19974 11421 1 14 . 1 1 110 110 LYS N N 110 118.670 118.670 119.515 -0.845 19974 11422 1 14 . 1 1 110 110 LYS HA H 110 3.610 3.610 3.913 -0.303 19974 11423 1 14 . 1 1 110 110 LYS C C 110 177.680 177.680 178.733 -1.053 19974 11424 1 14 . 1 1 110 110 LYS CA C 110 60.050 60.050 60.119 -0.069 19974 11425 1 14 . 1 1 110 110 LYS CB C 110 29.680 29.680 31.840 -2.160 19974 11426 1 14 . 1 1 110 110 LYS H H 110 8.727 8.727 8.431 0.296 19974 11427 1 14 . 1 1 111 111 GLN N N 111 117.980 117.980 117.970 0.010 19974 11428 1 14 . 1 1 111 111 GLN HA H 111 3.491 3.491 4.050 -0.559 19974 11429 1 14 . 1 1 111 111 GLN C C 111 177.640 177.640 178.545 -0.905 19974 11430 1 14 . 1 1 111 111 GLN CA C 111 57.530 57.530 58.749 -1.219 19974 11431 1 14 . 1 1 111 111 GLN CB C 111 28.460 28.460 28.479 -0.019 19974 11432 1 14 . 1 1 111 111 GLN H H 111 8.442 8.442 7.744 0.698 19974 11433 1 14 . 1 1 112 112 GLY N N 112 103.740 103.740 108.218 -4.478 19974 11434 1 14 . 1 1 112 112 GLY C C 112 173.970 173.970 176.350 -2.380 19974 11435 1 14 . 1 1 112 112 GLY CA C 112 48.730 48.730 47.204 1.526 19974 11436 1 14 . 1 1 112 112 GLY H H 112 8.196 8.196 8.229 -0.033 19974 11437 1 14 . 1 1 113 113 LEU N N 113 119.640 119.640 122.779 -3.139 19974 11438 1 14 . 1 1 113 113 LEU HA H 113 3.868 3.868 4.024 -0.156 19974 11439 1 14 . 1 1 113 113 LEU C C 113 177.480 177.480 179.008 -1.528 19974 11440 1 14 . 1 1 113 113 LEU CA C 113 58.150 58.150 57.699 0.452 19974 11441 1 14 . 1 1 113 113 LEU CB C 113 41.920 41.920 42.060 -0.140 19974 11442 1 14 . 1 1 113 113 LEU H H 113 7.614 7.614 8.180 -0.566 19974 11443 1 14 . 1 1 114 114 VAL N N 114 118.510 118.510 120.453 -1.943 19974 11444 1 14 . 1 1 114 114 VAL HA H 114 3.269 3.269 3.456 -0.187 19974 11445 1 14 . 1 1 114 114 VAL C C 114 177.330 177.330 177.948 -0.618 19974 11446 1 14 . 1 1 114 114 VAL CA C 114 67.787 67.787 67.503 0.284 19974 11447 1 14 . 1 1 114 114 VAL CB C 114 31.600 31.600 31.520 0.080 19974 11448 1 14 . 1 1 114 114 VAL H H 114 8.284 8.284 8.540 -0.256 19974 11449 1 14 . 1 1 115 115 ASP N N 115 119.440 119.440 119.578 -0.138 19974 11450 1 14 . 1 1 115 115 ASP HA H 115 4.261 4.261 4.345 -0.084 19974 11451 1 14 . 1 1 115 115 ASP C C 115 179.840 179.840 178.758 1.082 19974 11452 1 14 . 1 1 115 115 ASP CA C 115 56.950 56.950 58.136 -1.186 19974 11453 1 14 . 1 1 115 115 ASP CB C 115 39.840 39.840 40.477 -0.637 19974 11454 1 14 . 1 1 115 115 ASP H H 115 8.724 8.724 8.754 -0.030 19974 11455 1 14 . 1 1 116 116 GLY N N 116 107.280 107.280 107.219 0.061 19974 11456 1 14 . 1 1 116 116 GLY C C 116 174.130 174.130 175.783 -1.653 19974 11457 1 14 . 1 1 116 116 GLY CA C 116 47.190 47.190 46.535 0.655 19974 11458 1 14 . 1 1 116 116 GLY H H 116 8.370 8.370 8.086 0.284 19974 11459 1 14 . 1 1 117 117 ILE N N 117 123.350 123.350 121.856 1.494 19974 11460 1 14 . 1 1 117 117 ILE HA H 117 3.307 3.307 3.904 -0.597 19974 11461 1 14 . 1 1 117 117 ILE C C 117 176.750 176.750 177.074 -0.324 19974 11462 1 14 . 1 1 117 117 ILE CA C 117 66.168 66.168 64.410 1.758 19974 11463 1 14 . 1 1 117 117 ILE CB C 117 37.760 37.760 38.316 -0.556 19974 11464 1 14 . 1 1 117 117 ILE H H 117 8.573 8.573 7.704 0.869 19974 11465 1 14 . 1 1 118 118 GLU N N 118 119.220 119.220 121.583 -2.363 19974 11466 1 14 . 1 1 118 118 GLU HA H 118 4.003 4.003 3.790 0.213 19974 11467 1 14 . 1 1 118 118 GLU C C 118 180.600 180.600 178.895 1.705 19974 11468 1 14 . 1 1 118 118 GLU CA C 118 59.472 59.472 60.177 -0.705 19974 11469 1 14 . 1 1 118 118 GLU CB C 118 29.310 29.310 29.566 -0.256 19974 11470 1 14 . 1 1 118 118 GLU H H 118 7.998 7.998 8.589 -0.591 19974 11471 1 14 . 1 1 119 119 LYS N N 119 118.270 118.270 117.867 0.403 19974 11472 1 14 . 1 1 119 119 LYS HA H 119 3.897 3.897 4.025 -0.128 19974 11473 1 14 . 1 1 119 119 LYS C C 119 179.040 179.040 178.810 0.230 19974 11474 1 14 . 1 1 119 119 LYS CA C 119 58.090 58.090 58.898 -0.808 19974 11475 1 14 . 1 1 119 119 LYS CB C 119 31.340 31.340 31.755 -0.415 19974 11476 1 14 . 1 1 119 119 LYS H H 119 7.846 7.846 8.421 -0.575 19974 11477 1 14 . 1 1 120 120 ALA N N 120 125.280 125.280 121.780 3.500 19974 11478 1 14 . 1 1 120 120 ALA HA H 120 4.195 4.195 4.040 0.155 19974 11479 1 14 . 1 1 120 120 ALA C C 120 180.230 180.230 179.559 0.671 19974 11480 1 14 . 1 1 120 120 ALA CA C 120 55.040 55.040 54.836 0.204 19974 11481 1 14 . 1 1 120 120 ALA CB C 120 17.380 17.380 18.387 -1.007 19974 11482 1 14 . 1 1 120 120 ALA H H 120 9.092 9.092 7.472 1.620 19974 11483 1 14 . 1 1 121 121 GLY N N 121 104.130 104.130 107.309 -3.179 19974 11484 1 14 . 1 1 121 121 GLY C C 121 174.930 174.930 175.975 -1.045 19974 11485 1 14 . 1 1 121 121 GLY CA C 121 47.590 47.590 46.859 0.731 19974 11486 1 14 . 1 1 121 121 GLY H H 121 8.606 8.606 8.622 -0.016 19974 11487 1 14 . 1 1 122 122 MET N N 122 117.000 117.000 122.144 -5.144 19974 11488 1 14 . 1 1 122 122 MET HA H 122 4.183 4.183 4.037 0.146 19974 11489 1 14 . 1 1 122 122 MET C C 122 178.500 178.500 178.015 0.485 19974 11490 1 14 . 1 1 122 122 MET CA C 122 57.470 57.470 58.936 -1.466 19974 11491 1 14 . 1 1 122 122 MET CB C 122 32.200 32.200 32.737 -0.537 19974 11492 1 14 . 1 1 122 122 MET H H 122 7.284 7.284 8.333 -1.049 19974 11493 1 14 . 1 1 123 123 ALA N N 123 124.060 124.060 121.683 2.377 19974 11494 1 14 . 1 1 123 123 ALA HA H 123 4.076 4.076 4.219 -0.143 19974 11495 1 14 . 1 1 123 123 ALA C C 123 180.880 180.880 180.440 0.440 19974 11496 1 14 . 1 1 123 123 ALA CA C 123 54.760 54.760 54.812 -0.052 19974 11497 1 14 . 1 1 123 123 ALA CB C 123 17.590 17.590 18.223 -0.633 19974 11498 1 14 . 1 1 123 123 ALA H H 123 8.308 8.308 7.987 0.321 19974 11499 1 14 . 1 1 124 124 LEU N N 124 117.060 117.060 120.167 -3.107 19974 11500 1 14 . 1 1 124 124 LEU HA H 124 4.270 4.270 4.275 -0.005 19974 11501 1 14 . 1 1 124 124 LEU C C 124 179.170 179.170 179.179 -0.009 19974 11502 1 14 . 1 1 124 124 LEU CA C 124 57.840 57.840 57.837 0.003 19974 11503 1 14 . 1 1 124 124 LEU CB C 124 42.920 42.920 41.910 1.010 19974 11504 1 14 . 1 1 124 124 LEU H H 124 8.871 8.871 8.697 0.174 19974 11505 1 14 . 1 1 125 125 ALA N N 125 120.950 120.950 120.227 0.723 19974 11506 1 14 . 1 1 125 125 ALA HA H 125 3.956 3.956 4.470 -0.514 19974 11507 1 14 . 1 1 125 125 ALA C C 125 177.740 177.740 179.376 -1.636 19974 11508 1 14 . 1 1 125 125 ALA CA C 125 55.220 55.220 54.802 0.418 19974 11509 1 14 . 1 1 125 125 ALA CB C 125 19.180 19.180 18.470 0.710 19974 11510 1 14 . 1 1 125 125 ALA H H 125 7.829 7.829 8.512 -0.683 19974 11511 1 14 . 1 1 126 126 LYS N N 126 113.320 113.320 118.253 -4.933 19974 11512 1 14 . 1 1 126 126 LYS HA H 126 3.798 3.798 4.058 -0.260 19974 11513 1 14 . 1 1 126 126 LYS C C 126 176.550 176.550 178.217 -1.667 19974 11514 1 14 . 1 1 126 126 LYS CA C 126 58.490 58.490 58.276 0.214 19974 11515 1 14 . 1 1 126 126 LYS CB C 126 32.620 32.620 31.993 0.627 19974 11516 1 14 . 1 1 126 126 LYS H H 126 6.971 6.971 7.768 -0.797 19974 11517 1 14 . 1 1 127 127 TYR N N 127 113.850 113.850 115.956 -2.106 19974 11518 1 14 . 1 1 127 127 TYR HA H 127 4.067 4.067 4.113 -0.046 19974 11519 1 14 . 1 1 127 127 TYR C C 127 174.390 174.390 175.461 -1.071 19974 11520 1 14 . 1 1 127 127 TYR CA C 127 58.770 58.770 60.008 -1.238 19974 11521 1 14 . 1 1 127 127 TYR CB C 127 41.930 41.930 39.339 2.591 19974 11522 1 14 . 1 1 127 127 TYR H H 127 6.817 6.817 7.598 -0.781 19974 11523 1 14 . 1 1 128 128 PHE N N 128 116.130 116.130 117.074 -0.944 19974 11524 1 14 . 1 1 128 128 PHE HA H 128 4.907 4.907 4.922 -0.015 19974 11525 1 14 . 1 1 128 128 PHE C C 128 172.450 172.450 173.538 -1.088 19974 11526 1 14 . 1 1 128 128 PHE CA C 128 55.003 55.003 54.898 0.104 19974 11527 1 14 . 1 1 128 128 PHE CB C 128 38.550 38.550 40.305 -1.755 19974 11528 1 14 . 1 1 128 128 PHE H H 128 8.688 8.688 8.181 0.507 19974 11529 1 14 . 1 1 129 129 PRO HA H 129 4.680 4.680 4.665 0.015 19974 11530 1 14 . 1 1 129 129 PRO C C 129 175.720 175.720 176.640 -0.920 19974 11531 1 14 . 1 1 129 129 PRO CA C 129 63.382 63.382 62.699 0.683 19974 11532 1 14 . 1 1 129 129 PRO CB C 129 31.810 31.810 32.393 -0.583 19974 11533 1 14 . 1 1 130 130 TRP N N 130 123.170 123.170 126.593 -3.423 19974 11534 1 14 . 1 1 130 130 TRP HA H 130 4.031 4.031 4.567 -0.536 19974 11535 1 14 . 1 1 130 130 TRP C C 130 175.310 175.310 175.156 0.154 19974 11536 1 14 . 1 1 130 130 TRP CA C 130 59.510 59.510 58.603 0.907 19974 11537 1 14 . 1 1 130 130 TRP CB C 130 29.300 29.300 30.077 -0.777 19974 11538 1 14 . 1 1 130 130 TRP H H 130 7.910 7.910 8.703 -0.793 19974 11539 1 14 . 1 1 131 131 LYS N N 131 127.060 127.060 126.877 0.183 19974 11540 1 14 . 1 1 131 131 LYS HA H 131 4.260 4.260 4.260 0.000 19974 11541 1 14 . 1 1 131 131 LYS C C 131 174.450 174.450 175.704 -1.254 19974 11542 1 14 . 1 1 131 131 LYS CA C 131 53.240 53.240 54.342 -1.102 19974 11543 1 14 . 1 1 131 131 LYS CB C 131 35.250 35.250 34.408 0.842 19974 11544 1 14 . 1 1 131 131 LYS H H 131 8.097 8.097 7.102 0.995 19974 11545 1 14 . 1 1 132 132 LYS N N 132 116.250 116.250 121.049 -4.799 19974 11546 1 14 . 1 1 132 132 LYS HA H 132 3.398 3.398 3.607 -0.209 19974 11547 1 14 . 1 1 132 132 LYS C C 132 176.550 176.550 176.375 0.175 19974 11548 1 14 . 1 1 132 132 LYS CA C 132 58.140 58.140 57.913 0.227 19974 11549 1 14 . 1 1 132 132 LYS CB C 132 31.880 31.880 32.326 -0.446 19974 11550 1 14 . 1 1 132 132 LYS H H 132 7.761 7.761 8.357 -0.596 19974 11551 1 14 . 1 1 133 133 ASP N N 133 116.600 116.600 116.177 0.423 19974 11552 1 14 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.603 -0.252 19974 11553 1 14 . 1 1 133 133 ASP C C 133 175.320 175.320 175.501 -0.181 19974 11554 1 14 . 1 1 133 133 ASP CA C 133 52.520 52.520 52.974 -0.454 19974 11555 1 14 . 1 1 133 133 ASP CB C 133 38.720 38.720 39.888 -1.168 19974 11556 1 14 . 1 1 133 133 ASP H H 133 7.633 7.633 7.691 -0.058 19974 11557 1 14 . 1 1 134 134 ASP N N 134 119.140 119.140 121.681 -2.541 19974 11558 1 14 . 1 1 134 134 ASP HA H 134 3.989 3.989 4.298 -0.309 19974 11559 1 14 . 1 1 134 134 ASP C C 134 175.500 175.500 175.722 -0.222 19974 11560 1 14 . 1 1 134 134 ASP CA C 134 56.410 56.410 54.717 1.693 19974 11561 1 14 . 1 1 134 134 ASP CB C 134 42.740 42.740 41.378 1.362 19974 11562 1 14 . 1 1 134 134 ASP H H 134 7.251 7.251 7.274 -0.023 19974 11563 1 14 . 1 1 135 135 ILE N N 135 123.230 123.230 119.826 3.404 19974 11564 1 14 . 1 1 135 135 ILE HA H 135 4.301 4.301 4.353 -0.052 19974 11565 1 14 . 1 1 135 135 ILE C C 135 176.300 176.300 175.039 1.261 19974 11566 1 14 . 1 1 135 135 ILE CA C 135 58.640 58.640 59.843 -1.203 19974 11567 1 14 . 1 1 135 135 ILE CB C 135 40.800 40.800 40.199 0.601 19974 11568 1 14 . 1 1 135 135 ILE H H 135 8.351 8.351 8.147 0.204 19974 11569 1 14 . 1 1 136 136 ASP N N 136 131.670 131.670 127.844 3.826 19974 11570 1 14 . 1 1 136 136 ASP HA H 136 5.640 5.640 4.721 0.919 19974 11571 1 14 . 1 1 136 136 ASP C C 136 176.150 176.150 176.410 -0.260 19974 11572 1 14 . 1 1 136 136 ASP CA C 136 52.560 52.560 53.978 -1.418 19974 11573 1 14 . 1 1 136 136 ASP CB C 136 38.180 38.180 40.728 -2.548 19974 11574 1 14 . 1 1 136 136 ASP H H 136 9.036 9.036 8.749 0.287 19974 11575 1 14 . 1 1 137 137 GLU N N 137 125.270 125.270 123.289 1.981 19974 11576 1 14 . 1 1 137 137 GLU HA H 137 3.735 3.735 4.178 -0.443 19974 11577 1 14 . 1 1 137 137 GLU C C 137 176.110 176.110 176.272 -0.162 19974 11578 1 14 . 1 1 137 137 GLU CA C 137 59.490 59.490 57.740 1.750 19974 11579 1 14 . 1 1 137 137 GLU CB C 137 32.880 32.880 30.164 2.716 19974 11580 1 14 . 1 1 137 137 GLU H H 137 8.435 8.435 8.554 -0.119 19974 11581 1 14 . 1 1 138 138 LEU N N 138 117.210 117.210 119.641 -2.431 19974 11582 1 14 . 1 1 138 138 LEU HA H 138 4.960 4.960 4.699 0.261 19974 11583 1 14 . 1 1 138 138 LEU C C 138 173.560 173.560 174.433 -0.873 19974 11584 1 14 . 1 1 138 138 LEU CA C 138 50.310 50.310 51.679 -1.369 19974 11585 1 14 . 1 1 138 138 LEU CB C 138 41.350 41.350 43.719 -2.369 19974 11586 1 14 . 1 1 138 138 LEU H H 138 8.308 8.308 7.480 0.828 19974 11587 1 14 . 1 1 139 139 PRO HA H 139 4.335 4.335 4.807 -0.472 19974 11588 1 14 . 1 1 139 139 PRO C C 139 177.700 177.700 177.099 0.601 19974 11589 1 14 . 1 1 139 139 PRO CA C 139 62.550 62.550 61.749 0.801 19974 11590 1 14 . 1 1 139 139 PRO CB C 139 32.520 32.520 33.166 -0.645 19974 11591 1 14 . 1 1 140 140 ASN N N 140 120.930 120.930 120.908 0.022 19974 11592 1 14 . 1 1 140 140 ASN HA H 140 4.730 4.730 4.478 0.252 19974 11593 1 14 . 1 1 140 140 ASN C C 140 174.460 174.460 175.713 -1.253 19974 11594 1 14 . 1 1 140 140 ASN CA C 140 52.790 52.790 54.593 -1.803 19974 11595 1 14 . 1 1 140 140 ASN CB C 140 38.520 38.520 38.005 0.515 19974 11596 1 14 . 1 1 140 140 ASN H H 140 9.213 9.213 8.737 0.476 19974 11597 1 14 . 1 1 141 141 THR N N 141 107.730 107.730 115.755 -8.025 19974 11598 1 14 . 1 1 141 141 THR HA H 141 3.853 3.853 4.096 -0.243 19974 11599 1 14 . 1 1 141 141 THR C C 141 176.410 176.410 174.772 1.638 19974 11600 1 14 . 1 1 141 141 THR CA C 141 61.560 61.560 62.845 -1.285 19974 11601 1 14 . 1 1 141 141 THR CB C 141 69.450 69.450 69.397 0.053 19974 11602 1 14 . 1 1 141 141 THR H H 141 7.003 7.003 7.593 -0.590 19974 11603 1 14 . 1 1 142 142 ILE N N 142 129.530 129.530 125.987 3.543 19974 11604 1 14 . 1 1 142 142 ILE HA H 142 3.976 3.976 4.042 -0.066 19974 11605 1 14 . 1 1 142 142 ILE C C 142 176.020 176.020 175.855 0.165 19974 11606 1 14 . 1 1 142 142 ILE CA C 142 62.150 62.150 62.229 -0.079 19974 11607 1 14 . 1 1 142 142 ILE CB C 142 37.890 37.890 38.184 -0.294 19974 11608 1 14 . 1 1 142 142 ILE H H 142 9.030 9.030 8.457 0.573 19974 11609 1 14 . 1 1 143 143 SER N N 143 124.630 124.630 123.296 1.334 19974 11610 1 14 . 1 1 143 143 SER HA H 143 4.481 4.481 4.735 -0.254 19974 11611 1 14 . 1 1 143 143 SER C C 143 172.920 172.920 173.065 -0.145 19974 11612 1 14 . 1 1 143 143 SER CA C 143 57.120 57.120 58.075 -0.955 19974 11613 1 14 . 1 1 143 143 SER CB C 143 60.710 60.710 64.371 -3.661 19974 11614 1 14 . 1 1 143 143 SER H H 143 8.709 8.709 8.468 0.241 19974 11615 1 14 . 1 1 144 144 LYS N N 144 126.170 126.170 122.660 3.510 19974 11616 1 14 . 1 1 144 144 LYS HA H 144 4.954 4.954 4.823 0.131 19974 11617 1 14 . 1 1 144 144 LYS C C 144 175.910 175.910 175.937 -0.027 19974 11618 1 14 . 1 1 144 144 LYS CA C 144 54.580 54.580 54.812 -0.232 19974 11619 1 14 . 1 1 144 144 LYS CB C 144 35.170 35.170 36.985 -1.815 19974 11620 1 14 . 1 1 144 144 LYS H H 144 8.043 8.043 8.432 -0.389 19974 11621 1 15 . 1 1 3 3 LYS HA H 3 4.317 4.317 4.503 -0.186 19974 11622 1 15 . 1 1 3 3 LYS C C 3 176.840 176.840 175.767 1.073 19974 11623 1 15 . 1 1 3 3 LYS CA C 3 56.180 56.180 56.493 -0.313 19974 11624 1 15 . 1 1 3 3 LYS CB C 3 33.030 33.030 32.911 0.119 19974 11625 1 15 . 1 1 4 4 ILE N N 4 122.990 122.990 113.689 9.301 19974 11626 1 15 . 1 1 4 4 ILE HA H 4 3.919 3.919 5.056 -1.137 19974 11627 1 15 . 1 1 4 4 ILE C C 4 176.120 176.120 173.374 2.746 19974 11628 1 15 . 1 1 4 4 ILE CA C 4 61.530 61.530 59.227 2.304 19974 11629 1 15 . 1 1 4 4 ILE CB C 4 38.040 38.040 40.453 -2.413 19974 11630 1 15 . 1 1 4 4 ILE H H 4 8.391 8.391 7.278 1.113 19974 11631 1 15 . 1 1 5 5 GLU N N 5 123.430 123.430 122.382 1.048 19974 11632 1 15 . 1 1 5 5 GLU HA H 5 4.116 4.116 4.678 -0.562 19974 11633 1 15 . 1 1 5 5 GLU C C 5 175.830 175.830 175.635 0.195 19974 11634 1 15 . 1 1 5 5 GLU CA C 5 56.900 56.900 55.974 0.926 19974 11635 1 15 . 1 1 5 5 GLU CB C 5 29.350 29.350 30.927 -1.577 19974 11636 1 15 . 1 1 5 5 GLU H H 5 8.508 8.508 8.023 0.485 19974 11637 1 15 . 1 1 6 6 GLU N N 6 119.490 119.490 118.391 1.099 19974 11638 1 15 . 1 1 6 6 GLU HA H 6 4.128 4.128 4.139 -0.011 19974 11639 1 15 . 1 1 6 6 GLU C C 6 176.270 176.270 177.045 -0.775 19974 11640 1 15 . 1 1 6 6 GLU CA C 6 55.700 55.700 58.037 -2.337 19974 11641 1 15 . 1 1 6 6 GLU CB C 6 30.190 30.190 29.426 0.764 19974 11642 1 15 . 1 1 6 6 GLU H H 6 7.843 7.843 8.820 -0.977 19974 11643 1 15 . 1 1 7 7 PHE N N 7 121.090 121.090 119.788 1.302 19974 11644 1 15 . 1 1 7 7 PHE HA H 7 4.284 4.284 4.257 0.027 19974 11645 1 15 . 1 1 7 7 PHE C C 7 174.810 174.810 174.912 -0.102 19974 11646 1 15 . 1 1 7 7 PHE CA C 7 59.660 59.660 59.400 0.260 19974 11647 1 15 . 1 1 7 7 PHE CB C 7 39.990 39.990 39.557 0.433 19974 11648 1 15 . 1 1 7 7 PHE H H 7 8.092 8.092 7.844 0.248 19974 11649 1 15 . 1 1 8 8 LEU N N 8 116.700 116.700 117.936 -1.236 19974 11650 1 15 . 1 1 8 8 LEU HA H 8 4.792 4.792 4.750 0.042 19974 11651 1 15 . 1 1 8 8 LEU C C 8 176.940 176.940 175.952 0.988 19974 11652 1 15 . 1 1 8 8 LEU CA C 8 52.730 52.730 52.566 0.164 19974 11653 1 15 . 1 1 8 8 LEU CB C 8 45.650 45.650 45.745 -0.095 19974 11654 1 15 . 1 1 8 8 LEU H H 8 7.721 7.721 7.720 0.001 19974 11655 1 15 . 1 1 9 9 THR N N 9 113.700 113.700 113.661 0.039 19974 11656 1 15 . 1 1 9 9 THR HA H 9 4.397 4.397 4.668 -0.271 19974 11657 1 15 . 1 1 9 9 THR C C 9 175.410 175.410 175.831 -0.421 19974 11658 1 15 . 1 1 9 9 THR CA C 9 60.650 60.650 59.933 0.717 19974 11659 1 15 . 1 1 9 9 THR CB C 9 70.800 70.800 70.832 -0.032 19974 11660 1 15 . 1 1 9 9 THR H H 9 9.224 9.224 8.594 0.630 19974 11661 1 15 . 1 1 10 10 ALA N N 10 123.350 123.350 123.226 0.124 19974 11662 1 15 . 1 1 10 10 ALA HA H 10 4.036 4.036 4.223 -0.187 19974 11663 1 15 . 1 1 10 10 ALA C C 10 181.050 181.050 179.994 1.056 19974 11664 1 15 . 1 1 10 10 ALA CA C 10 55.500 55.500 54.916 0.584 19974 11665 1 15 . 1 1 10 10 ALA CB C 10 17.914 17.914 18.618 -0.704 19974 11666 1 15 . 1 1 10 10 ALA H H 10 8.881 8.881 8.770 0.111 19974 11667 1 15 . 1 1 11 11 GLU N N 11 117.680 117.680 117.457 0.223 19974 11668 1 15 . 1 1 11 11 GLU HA H 11 3.949 3.949 4.082 -0.133 19974 11669 1 15 . 1 1 11 11 GLU C C 11 179.500 179.500 178.972 0.528 19974 11670 1 15 . 1 1 11 11 GLU CA C 11 59.490 59.490 58.948 0.542 19974 11671 1 15 . 1 1 11 11 GLU CB C 11 29.120 29.120 29.606 -0.486 19974 11672 1 15 . 1 1 11 11 GLU H H 11 8.460 8.460 8.059 0.401 19974 11673 1 15 . 1 1 12 12 GLU N N 12 121.860 121.860 120.201 1.659 19974 11674 1 15 . 1 1 12 12 GLU HA H 12 3.818 3.818 4.079 -0.261 19974 11675 1 15 . 1 1 12 12 GLU C C 12 178.130 178.130 178.968 -0.838 19974 11676 1 15 . 1 1 12 12 GLU CA C 12 59.210 59.210 59.127 0.083 19974 11677 1 15 . 1 1 12 12 GLU CB C 12 30.800 30.800 29.692 1.108 19974 11678 1 15 . 1 1 12 12 GLU H H 12 7.698 7.698 7.928 -0.230 19974 11679 1 15 . 1 1 13 13 GLU N N 13 118.170 118.170 119.513 -1.343 19974 11680 1 15 . 1 1 13 13 GLU HA H 13 3.640 3.640 4.017 -0.377 19974 11681 1 15 . 1 1 13 13 GLU C C 13 178.070 178.070 178.591 -0.521 19974 11682 1 15 . 1 1 13 13 GLU CA C 13 60.539 60.539 59.348 1.191 19974 11683 1 15 . 1 1 13 13 GLU CB C 13 29.130 29.130 29.486 -0.356 19974 11684 1 15 . 1 1 13 13 GLU H H 13 8.493 8.493 8.509 -0.016 19974 11685 1 15 . 1 1 14 14 LYS N N 14 117.980 117.980 119.914 -1.934 19974 11686 1 15 . 1 1 14 14 LYS HA H 14 3.887 3.887 3.996 -0.109 19974 11687 1 15 . 1 1 14 14 LYS C C 14 177.420 177.420 178.624 -1.204 19974 11688 1 15 . 1 1 14 14 LYS CA C 14 59.350 59.350 59.315 0.035 19974 11689 1 15 . 1 1 14 14 LYS CB C 14 32.200 32.200 32.355 -0.155 19974 11690 1 15 . 1 1 14 14 LYS H H 14 7.650 7.650 7.575 0.075 19974 11691 1 15 . 1 1 15 15 ALA N N 15 119.210 119.210 121.705 -2.495 19974 11692 1 15 . 1 1 15 15 ALA HA H 15 4.098 4.098 4.089 0.009 19974 11693 1 15 . 1 1 15 15 ALA C C 15 180.550 180.550 179.640 0.910 19974 11694 1 15 . 1 1 15 15 ALA CA C 15 54.600 54.600 54.924 -0.324 19974 11695 1 15 . 1 1 15 15 ALA CB C 15 17.790 17.790 18.218 -0.428 19974 11696 1 15 . 1 1 15 15 ALA H H 15 7.362 7.362 7.510 -0.148 19974 11697 1 15 . 1 1 16 16 ILE N N 16 119.990 119.990 119.232 0.758 19974 11698 1 15 . 1 1 16 16 ILE HA H 16 3.493 3.493 3.684 -0.191 19974 11699 1 15 . 1 1 16 16 ILE C C 16 176.510 176.510 177.754 -1.244 19974 11700 1 15 . 1 1 16 16 ILE CA C 16 65.072 65.072 64.183 0.888 19974 11701 1 15 . 1 1 16 16 ILE CB C 16 37.580 37.580 38.322 -0.742 19974 11702 1 15 . 1 1 16 16 ILE H H 16 7.592 7.592 7.485 0.107 19974 11703 1 15 . 1 1 17 17 VAL N N 17 121.520 121.520 120.825 0.695 19974 11704 1 15 . 1 1 17 17 VAL HA H 17 3.504 3.504 3.564 -0.060 19974 11705 1 15 . 1 1 17 17 VAL C C 17 178.620 178.620 178.083 0.537 19974 11706 1 15 . 1 1 17 17 VAL CA C 17 67.324 67.324 66.744 0.580 19974 11707 1 15 . 1 1 17 17 VAL CB C 17 31.350 31.350 31.707 -0.357 19974 11708 1 15 . 1 1 17 17 VAL H H 17 8.155 8.155 8.516 -0.361 19974 11709 1 15 . 1 1 18 18 ASP N N 18 120.000 120.000 119.018 0.982 19974 11710 1 15 . 1 1 18 18 ASP HA H 18 4.223 4.223 4.366 -0.143 19974 11711 1 15 . 1 1 18 18 ASP C C 18 177.980 177.980 177.439 0.541 19974 11712 1 15 . 1 1 18 18 ASP CA C 18 57.050 57.050 56.568 0.482 19974 11713 1 15 . 1 1 18 18 ASP CB C 18 39.410 39.410 40.810 -1.400 19974 11714 1 15 . 1 1 18 18 ASP H H 18 8.605 8.605 7.871 0.734 19974 11715 1 15 . 1 1 19 19 ALA N N 19 122.620 122.620 122.058 0.562 19974 11716 1 15 . 1 1 19 19 ALA HA H 19 4.194 4.194 4.049 0.145 19974 11717 1 15 . 1 1 19 19 ALA C C 19 180.720 180.720 179.537 1.183 19974 11718 1 15 . 1 1 19 19 ALA CA C 19 54.970 54.970 54.980 -0.010 19974 11719 1 15 . 1 1 19 19 ALA CB C 19 17.850 17.850 18.548 -0.698 19974 11720 1 15 . 1 1 19 19 ALA H H 19 7.702 7.702 7.526 0.176 19974 11721 1 15 . 1 1 20 20 ILE N N 20 122.620 122.620 118.071 4.549 19974 11722 1 15 . 1 1 20 20 ILE HA H 20 3.309 3.309 3.614 -0.305 19974 11723 1 15 . 1 1 20 20 ILE C C 20 176.740 176.740 177.918 -1.178 19974 11724 1 15 . 1 1 20 20 ILE CA C 20 66.830 66.830 65.079 1.750 19974 11725 1 15 . 1 1 20 20 ILE CB C 20 38.140 38.140 37.608 0.531 19974 11726 1 15 . 1 1 20 20 ILE H H 20 8.234 8.234 7.542 0.692 19974 11727 1 15 . 1 1 21 21 ARG N N 21 119.660 119.660 119.590 0.070 19974 11728 1 15 . 1 1 21 21 ARG HA H 21 3.899 3.899 4.116 -0.217 19974 11729 1 15 . 1 1 21 21 ARG C C 21 179.540 179.540 178.695 0.845 19974 11730 1 15 . 1 1 21 21 ARG CA C 21 58.990 58.990 59.406 -0.416 19974 11731 1 15 . 1 1 21 21 ARG CB C 21 29.020 29.020 29.903 -0.883 19974 11732 1 15 . 1 1 21 21 ARG H H 21 8.212 8.212 7.412 0.800 19974 11733 1 15 . 1 1 22 22 ASP N N 22 118.640 118.640 119.148 -0.508 19974 11734 1 15 . 1 1 22 22 ASP HA H 22 4.239 4.239 4.487 -0.248 19974 11735 1 15 . 1 1 22 22 ASP C C 22 179.190 179.190 177.106 2.084 19974 11736 1 15 . 1 1 22 22 ASP CA C 22 57.270 57.270 56.389 0.881 19974 11737 1 15 . 1 1 22 22 ASP CB C 22 39.770 39.770 40.472 -0.702 19974 11738 1 15 . 1 1 22 22 ASP H H 22 8.137 8.137 7.860 0.277 19974 11739 1 15 . 1 1 23 23 ALA N N 23 126.120 126.120 122.468 3.652 19974 11740 1 15 . 1 1 23 23 ALA HA H 23 4.207 4.207 4.055 0.152 19974 11741 1 15 . 1 1 23 23 ALA C C 23 181.060 181.060 179.428 1.632 19974 11742 1 15 . 1 1 23 23 ALA CA C 23 55.430 55.430 54.776 0.654 19974 11743 1 15 . 1 1 23 23 ALA CB C 23 18.690 18.690 19.290 -0.600 19974 11744 1 15 . 1 1 23 23 ALA H H 23 8.500 8.500 7.412 1.088 19974 11745 1 15 . 1 1 24 24 GLU N N 24 115.460 115.460 118.093 -2.633 19974 11746 1 15 . 1 1 24 24 GLU HA H 24 4.213 4.213 4.093 0.120 19974 11747 1 15 . 1 1 24 24 GLU C C 24 176.390 176.390 178.022 -1.632 19974 11748 1 15 . 1 1 24 24 GLU CA C 24 58.180 58.180 58.765 -0.585 19974 11749 1 15 . 1 1 24 24 GLU CB C 24 28.200 28.200 29.693 -1.493 19974 11750 1 15 . 1 1 24 24 GLU H H 24 8.451 8.451 8.144 0.307 19974 11751 1 15 . 1 1 25 25 LYS N N 25 115.790 115.790 115.166 0.624 19974 11752 1 15 . 1 1 25 25 LYS HA H 25 3.739 3.739 4.112 -0.373 19974 11753 1 15 . 1 1 25 25 LYS C C 25 176.020 176.020 175.910 0.110 19974 11754 1 15 . 1 1 25 25 LYS CA C 25 56.220 56.220 57.005 -0.785 19974 11755 1 15 . 1 1 25 25 LYS CB C 25 32.070 32.070 31.841 0.229 19974 11756 1 15 . 1 1 25 25 LYS H H 25 7.083 7.083 7.718 -0.635 19974 11757 1 15 . 1 1 26 26 ASN N N 26 115.060 115.060 116.089 -1.029 19974 11758 1 15 . 1 1 26 26 ASN HA H 26 4.749 4.749 4.779 -0.030 19974 11759 1 15 . 1 1 26 26 ASN C C 26 174.280 174.280 174.084 0.196 19974 11760 1 15 . 1 1 26 26 ASN CA C 26 53.050 53.050 53.570 -0.520 19974 11761 1 15 . 1 1 26 26 ASN CB C 26 40.410 40.410 41.715 -1.305 19974 11762 1 15 . 1 1 26 26 ASN H H 26 7.931 7.931 7.938 -0.007 19974 11763 1 15 . 1 1 27 27 THR N N 27 113.430 113.430 113.723 -0.293 19974 11764 1 15 . 1 1 27 27 THR HA H 27 5.507 5.507 4.907 0.600 19974 11765 1 15 . 1 1 27 27 THR C C 27 170.850 170.850 172.591 -1.741 19974 11766 1 15 . 1 1 27 27 THR CA C 27 57.130 57.130 60.923 -3.793 19974 11767 1 15 . 1 1 27 27 THR CB C 27 70.200 70.200 70.425 -0.225 19974 11768 1 15 . 1 1 27 27 THR H H 27 7.619 7.619 7.659 -0.040 19974 11769 1 15 . 1 1 28 28 SER N N 28 119.450 119.450 121.260 -1.810 19974 11770 1 15 . 1 1 28 28 SER HA H 28 4.773 4.773 4.930 -0.157 19974 11771 1 15 . 1 1 28 28 SER C C 28 176.330 176.330 173.830 2.500 19974 11772 1 15 . 1 1 28 28 SER CA C 28 58.913 58.913 58.118 0.794 19974 11773 1 15 . 1 1 28 28 SER CB C 28 64.360 64.360 63.468 0.892 19974 11774 1 15 . 1 1 28 28 SER H H 28 7.706 7.706 8.778 -1.072 19974 11775 1 15 . 1 1 29 29 GLY N N 29 111.350 111.350 108.702 2.648 19974 11776 1 15 . 1 1 29 29 GLY C C 29 171.210 171.210 173.085 -1.875 19974 11777 1 15 . 1 1 29 29 GLY CA C 29 44.643 44.643 44.073 0.570 19974 11778 1 15 . 1 1 29 29 GLY H H 29 9.011 9.011 7.598 1.413 19974 11779 1 15 . 1 1 30 30 GLU N N 30 120.620 120.620 121.439 -0.819 19974 11780 1 15 . 1 1 30 30 GLU HA H 30 4.867 4.867 4.700 0.167 19974 11781 1 15 . 1 1 30 30 GLU C C 30 174.500 174.500 175.214 -0.714 19974 11782 1 15 . 1 1 30 30 GLU CA C 30 54.320 54.320 55.671 -1.351 19974 11783 1 15 . 1 1 30 30 GLU CB C 30 34.030 34.030 32.205 1.825 19974 11784 1 15 . 1 1 30 30 GLU H H 30 6.897 6.897 8.091 -1.194 19974 11785 1 15 . 1 1 31 31 ILE N N 31 121.650 121.650 124.509 -2.859 19974 11786 1 15 . 1 1 31 31 ILE HA H 31 5.171 5.171 4.688 0.483 19974 11787 1 15 . 1 1 31 31 ILE C C 31 175.550 175.550 175.321 0.229 19974 11788 1 15 . 1 1 31 31 ILE CA C 31 59.740 59.740 60.371 -0.631 19974 11789 1 15 . 1 1 31 31 ILE CB C 31 42.520 42.520 39.686 2.834 19974 11790 1 15 . 1 1 31 31 ILE H H 31 8.546 8.546 8.664 -0.118 19974 11791 1 15 . 1 1 32 32 ARG N N 32 121.690 121.690 127.632 -5.942 19974 11792 1 15 . 1 1 32 32 ARG HA H 32 4.951 4.951 4.773 0.178 19974 11793 1 15 . 1 1 32 32 ARG C C 32 173.740 173.740 174.025 -0.285 19974 11794 1 15 . 1 1 32 32 ARG CA C 32 55.220 55.220 54.077 1.143 19974 11795 1 15 . 1 1 32 32 ARG CB C 32 34.720 34.720 35.017 -0.298 19974 11796 1 15 . 1 1 32 32 ARG H H 32 8.751 8.751 9.146 -0.395 19974 11797 1 15 . 1 1 33 33 VAL N N 33 120.770 120.770 123.459 -2.689 19974 11798 1 15 . 1 1 33 33 VAL HA H 33 4.972 4.972 4.566 0.406 19974 11799 1 15 . 1 1 33 33 VAL C C 33 173.790 173.790 174.082 -0.292 19974 11800 1 15 . 1 1 33 33 VAL CA C 33 59.700 59.700 61.503 -1.803 19974 11801 1 15 . 1 1 33 33 VAL CB C 33 34.820 34.820 33.764 1.056 19974 11802 1 15 . 1 1 33 33 VAL H H 33 8.617 8.617 8.854 -0.237 19974 11803 1 15 . 1 1 34 34 HIS N N 34 125.000 125.000 125.912 -0.912 19974 11804 1 15 . 1 1 34 34 HIS HA H 34 5.743 5.743 5.479 0.264 19974 11805 1 15 . 1 1 34 34 HIS C C 34 172.790 172.790 173.166 -0.376 19974 11806 1 15 . 1 1 34 34 HIS CA C 34 54.370 54.370 53.997 0.373 19974 11807 1 15 . 1 1 34 34 HIS CB C 34 36.840 36.840 32.996 3.844 19974 11808 1 15 . 1 1 34 34 HIS H H 34 8.552 8.552 9.090 -0.538 19974 11809 1 15 . 1 1 35 35 LEU N N 35 124.400 124.400 127.351 -2.951 19974 11810 1 15 . 1 1 35 35 LEU HA H 35 4.800 4.800 4.892 -0.092 19974 11811 1 15 . 1 1 35 35 LEU C C 35 174.490 174.490 174.311 0.179 19974 11812 1 15 . 1 1 35 35 LEU CA C 35 52.190 52.190 53.515 -1.325 19974 11813 1 15 . 1 1 35 35 LEU CB C 35 44.880 44.880 45.718 -0.838 19974 11814 1 15 . 1 1 35 35 LEU H H 35 8.006 8.006 8.384 -0.378 19974 11815 1 15 . 1 1 36 36 GLU N N 36 116.112 116.112 122.570 -6.458 19974 11816 1 15 . 1 1 36 36 GLU HA H 36 4.573 4.573 4.568 0.005 19974 11817 1 15 . 1 1 36 36 GLU C C 36 174.350 174.350 176.215 -1.865 19974 11818 1 15 . 1 1 36 36 GLU CA C 36 54.130 54.130 54.619 -0.489 19974 11819 1 15 . 1 1 36 36 GLU CB C 36 31.960 31.960 32.981 -1.021 19974 11820 1 15 . 1 1 36 36 GLU H H 36 8.235 8.235 8.181 0.054 19974 11821 1 15 . 1 1 37 37 LYS N N 37 121.210 121.210 120.101 1.109 19974 11822 1 15 . 1 1 37 37 LYS HA H 37 3.731 3.731 4.040 -0.309 19974 11823 1 15 . 1 1 37 37 LYS C C 37 175.200 175.200 177.045 -1.845 19974 11824 1 15 . 1 1 37 37 LYS CA C 37 61.410 61.410 59.906 1.504 19974 11825 1 15 . 1 1 37 37 LYS CB C 37 33.090 33.090 32.480 0.610 19974 11826 1 15 . 1 1 37 37 LYS H H 37 9.055 9.055 8.391 0.664 19974 11827 1 15 . 1 1 38 38 THR N N 38 107.310 107.310 109.523 -2.213 19974 11828 1 15 . 1 1 38 38 THR HA H 38 4.448 4.448 4.585 -0.137 19974 11829 1 15 . 1 1 38 38 THR C C 38 171.420 171.420 173.013 -1.593 19974 11830 1 15 . 1 1 38 38 THR CA C 38 59.530 59.530 60.681 -1.151 19974 11831 1 15 . 1 1 38 38 THR CB C 38 69.570 69.570 69.707 -0.137 19974 11832 1 15 . 1 1 38 38 THR H H 38 7.480 7.480 7.725 -0.245 19974 11833 1 15 . 1 1 39 39 SER N N 39 116.050 116.050 116.812 -0.762 19974 11834 1 15 . 1 1 39 39 SER HA H 39 4.641 4.641 4.879 -0.238 19974 11835 1 15 . 1 1 39 39 SER C C 39 175.590 175.590 174.335 1.255 19974 11836 1 15 . 1 1 39 39 SER CA C 39 57.340 57.340 57.724 -0.384 19974 11837 1 15 . 1 1 39 39 SER CB C 39 64.560 64.560 65.675 -1.115 19974 11838 1 15 . 1 1 39 39 SER H H 39 8.177 8.177 8.553 -0.376 19974 11839 1 15 . 1 1 40 40 GLU N N 40 124.630 124.630 123.691 0.939 19974 11840 1 15 . 1 1 40 40 GLU HA H 40 4.118 4.118 4.324 -0.206 19974 11841 1 15 . 1 1 40 40 GLU C C 40 176.520 176.520 176.667 -0.147 19974 11842 1 15 . 1 1 40 40 GLU CA C 40 58.100 58.100 57.415 0.685 19974 11843 1 15 . 1 1 40 40 GLU CB C 40 29.950 29.950 30.282 -0.332 19974 11844 1 15 . 1 1 40 40 GLU H H 40 8.905 8.905 8.699 0.206 19974 11845 1 15 . 1 1 41 41 ILE N N 41 113.290 113.290 114.067 -0.777 19974 11846 1 15 . 1 1 41 41 ILE HA H 41 4.460 4.460 4.310 0.150 19974 11847 1 15 . 1 1 41 41 ILE C C 41 175.350 175.350 175.138 0.212 19974 11848 1 15 . 1 1 41 41 ILE CA C 41 59.490 59.490 59.380 0.110 19974 11849 1 15 . 1 1 41 41 ILE CB C 41 40.150 40.150 39.040 1.110 19974 11850 1 15 . 1 1 41 41 ILE H H 41 7.446 7.446 7.356 0.090 19974 11851 1 15 . 1 1 42 42 ASP N N 42 122.230 122.230 120.930 1.300 19974 11852 1 15 . 1 1 42 42 ASP HA H 42 4.280 4.280 4.646 -0.366 19974 11853 1 15 . 1 1 42 42 ASP C C 42 177.430 177.430 177.142 0.288 19974 11854 1 15 . 1 1 42 42 ASP CA C 42 55.360 55.360 53.775 1.585 19974 11855 1 15 . 1 1 42 42 ASP CB C 42 42.690 42.690 41.434 1.256 19974 11856 1 15 . 1 1 42 42 ASP H H 42 8.271 8.271 8.332 -0.061 19974 11857 1 15 . 1 1 43 43 VAL N N 43 122.150 122.150 125.744 -3.594 19974 11858 1 15 . 1 1 43 43 VAL HA H 43 3.569 3.569 3.526 0.043 19974 11859 1 15 . 1 1 43 43 VAL C C 43 175.780 175.780 177.025 -1.245 19974 11860 1 15 . 1 1 43 43 VAL CA C 43 65.420 65.420 65.127 0.292 19974 11861 1 15 . 1 1 43 43 VAL CB C 43 31.300 31.300 31.904 -0.605 19974 11862 1 15 . 1 1 43 43 VAL H H 43 8.160 8.160 8.634 -0.474 19974 11863 1 15 . 1 1 44 44 PHE N N 44 121.770 121.770 119.886 1.884 19974 11864 1 15 . 1 1 44 44 PHE HA H 44 3.892 3.892 4.052 -0.160 19974 11865 1 15 . 1 1 44 44 PHE C C 44 177.140 177.140 176.487 0.653 19974 11866 1 15 . 1 1 44 44 PHE CA C 44 62.190 62.190 61.367 0.823 19974 11867 1 15 . 1 1 44 44 PHE CB C 44 38.350 38.350 39.008 -0.658 19974 11868 1 15 . 1 1 44 44 PHE H H 44 8.101 8.101 7.972 0.129 19974 11869 1 15 . 1 1 45 45 ASP N N 45 119.540 119.540 119.322 0.218 19974 11870 1 15 . 1 1 45 45 ASP HA H 45 4.106 4.106 3.931 0.175 19974 11871 1 15 . 1 1 45 45 ASP C C 45 178.380 178.380 178.218 0.162 19974 11872 1 15 . 1 1 45 45 ASP CA C 45 57.010 57.010 57.396 -0.386 19974 11873 1 15 . 1 1 45 45 ASP CB C 45 37.900 37.900 40.318 -2.417 19974 11874 1 15 . 1 1 45 45 ASP H H 45 7.317 7.317 7.953 -0.636 19974 11875 1 15 . 1 1 46 46 ARG N N 46 119.920 119.920 120.475 -0.555 19974 11876 1 15 . 1 1 46 46 ARG HA H 46 3.733 3.733 3.840 -0.107 19974 11877 1 15 . 1 1 46 46 ARG C C 46 176.750 176.750 178.017 -1.267 19974 11878 1 15 . 1 1 46 46 ARG CA C 46 57.136 57.136 59.119 -1.983 19974 11879 1 15 . 1 1 46 46 ARG CB C 46 28.590 28.590 29.994 -1.404 19974 11880 1 15 . 1 1 46 46 ARG H H 46 8.246 8.246 8.036 0.210 19974 11881 1 15 . 1 1 47 47 ALA N N 47 120.910 120.910 121.807 -0.897 19974 11882 1 15 . 1 1 47 47 ALA HA H 47 3.048 3.048 3.859 -0.811 19974 11883 1 15 . 1 1 47 47 ALA C C 47 177.810 177.810 179.408 -1.598 19974 11884 1 15 . 1 1 47 47 ALA CA C 47 55.010 55.010 54.733 0.277 19974 11885 1 15 . 1 1 47 47 ALA CB C 47 17.400 17.400 17.832 -0.432 19974 11886 1 15 . 1 1 47 47 ALA H H 47 7.803 7.803 8.024 -0.221 19974 11887 1 15 . 1 1 48 48 MET N N 48 115.800 115.800 118.625 -2.825 19974 11888 1 15 . 1 1 48 48 MET HA H 48 2.568 2.568 3.553 -0.985 19974 11889 1 15 . 1 1 48 48 MET C C 48 177.790 177.790 177.661 0.129 19974 11890 1 15 . 1 1 48 48 MET CA C 48 58.910 58.910 59.221 -0.311 19974 11891 1 15 . 1 1 48 48 MET CB C 48 32.750 32.750 32.184 0.566 19974 11892 1 15 . 1 1 48 48 MET H H 48 7.148 7.148 7.432 -0.284 19974 11893 1 15 . 1 1 49 49 ASP N N 49 121.130 121.130 120.121 1.009 19974 11894 1 15 . 1 1 49 49 ASP HA H 49 4.326 4.326 4.309 0.017 19974 11895 1 15 . 1 1 49 49 ASP C C 49 178.960 178.960 179.047 -0.087 19974 11896 1 15 . 1 1 49 49 ASP CA C 49 57.330 57.330 57.918 -0.588 19974 11897 1 15 . 1 1 49 49 ASP CB C 49 40.180 40.180 40.708 -0.528 19974 11898 1 15 . 1 1 49 49 ASP H H 49 7.656 7.656 8.079 -0.423 19974 11899 1 15 . 1 1 50 50 VAL N N 50 122.030 122.030 119.850 2.180 19974 11900 1 15 . 1 1 50 50 VAL HA H 50 3.150 3.150 3.536 -0.386 19974 11901 1 15 . 1 1 50 50 VAL C C 50 176.610 176.610 177.812 -1.202 19974 11902 1 15 . 1 1 50 50 VAL CA C 50 66.980 66.980 66.205 0.775 19974 11903 1 15 . 1 1 50 50 VAL CB C 50 30.450 30.450 31.615 -1.165 19974 11904 1 15 . 1 1 50 50 VAL H H 50 8.506 8.506 8.162 0.344 19974 11905 1 15 . 1 1 51 51 PHE N N 51 120.010 120.010 120.933 -0.923 19974 11906 1 15 . 1 1 51 51 PHE HA H 51 3.701 3.701 4.090 -0.389 19974 11907 1 15 . 1 1 51 51 PHE C C 51 176.990 176.990 177.157 -0.167 19974 11908 1 15 . 1 1 51 51 PHE CA C 51 61.610 61.610 61.568 0.042 19974 11909 1 15 . 1 1 51 51 PHE CB C 51 39.350 39.350 39.209 0.141 19974 11910 1 15 . 1 1 51 51 PHE H H 51 8.236 8.236 8.258 -0.022 19974 11911 1 15 . 1 1 52 52 HIS N N 52 114.400 114.400 117.235 -2.835 19974 11912 1 15 . 1 1 52 52 HIS HA H 52 4.322 4.322 4.556 -0.234 19974 11913 1 15 . 1 1 52 52 HIS C C 52 179.389 179.389 177.867 1.522 19974 11914 1 15 . 1 1 52 52 HIS CA C 52 59.670 59.670 59.675 -0.005 19974 11915 1 15 . 1 1 52 52 HIS CB C 52 28.380 28.380 29.880 -1.500 19974 11916 1 15 . 1 1 52 52 HIS H H 52 7.595 7.595 8.358 -0.763 19974 11917 1 15 . 1 1 53 53 ASN N N 53 125.300 125.300 118.459 6.841 19974 11918 1 15 . 1 1 53 53 ASN HA H 53 4.346 4.346 4.551 -0.205 19974 11919 1 15 . 1 1 53 53 ASN C C 53 177.560 177.560 177.161 0.399 19974 11920 1 15 . 1 1 53 53 ASN CA C 53 56.260 56.260 55.381 0.879 19974 11921 1 15 . 1 1 53 53 ASN CB C 53 38.020 38.020 38.279 -0.259 19974 11922 1 15 . 1 1 53 53 ASN H H 53 9.216 9.216 8.555 0.661 19974 11923 1 15 . 1 1 54 54 LEU N N 54 117.070 117.070 117.852 -0.782 19974 11924 1 15 . 1 1 54 54 LEU HA H 54 4.114 4.114 4.361 -0.247 19974 11925 1 15 . 1 1 54 54 LEU C C 54 175.780 175.780 176.105 -0.325 19974 11926 1 15 . 1 1 54 54 LEU CA C 54 54.400 54.400 54.775 -0.374 19974 11927 1 15 . 1 1 54 54 LEU CB C 54 42.810 42.810 42.100 0.710 19974 11928 1 15 . 1 1 54 54 LEU H H 54 8.270 8.270 7.777 0.493 19974 11929 1 15 . 1 1 55 55 LYS N N 55 116.580 116.580 117.385 -0.805 19974 11930 1 15 . 1 1 55 55 LYS HA H 55 3.954 3.954 4.044 -0.090 19974 11931 1 15 . 1 1 55 55 LYS C C 55 177.650 177.650 176.810 0.840 19974 11932 1 15 . 1 1 55 55 LYS CA C 55 56.630 56.630 57.036 -0.406 19974 11933 1 15 . 1 1 55 55 LYS CB C 55 28.110 28.110 30.774 -2.664 19974 11934 1 15 . 1 1 55 55 LYS H H 55 7.953 7.953 7.540 0.413 19974 11935 1 15 . 1 1 56 56 MET N N 56 114.460 114.460 116.662 -2.202 19974 11936 1 15 . 1 1 56 56 MET HA H 56 3.624 3.624 4.013 -0.389 19974 11937 1 15 . 1 1 56 56 MET C C 56 174.010 174.010 176.409 -2.399 19974 11938 1 15 . 1 1 56 56 MET CA C 56 56.800 56.800 57.947 -1.147 19974 11939 1 15 . 1 1 56 56 MET CB C 56 28.620 28.620 31.818 -3.198 19974 11940 1 15 . 1 1 56 56 MET H H 56 7.496 7.496 7.384 0.112 19974 11941 1 15 . 1 1 57 57 ASP N N 57 113.610 113.610 117.215 -3.605 19974 11942 1 15 . 1 1 57 57 ASP HA H 57 4.490 4.490 4.789 -0.299 19974 11943 1 15 . 1 1 57 57 ASP C C 57 176.060 176.060 177.426 -1.366 19974 11944 1 15 . 1 1 57 57 ASP CA C 57 53.030 53.030 54.748 -1.718 19974 11945 1 15 . 1 1 57 57 ASP CB C 57 38.940 38.940 40.084 -1.144 19974 11946 1 15 . 1 1 57 57 ASP H H 57 8.921 8.921 8.437 0.484 19974 11947 1 15 . 1 1 58 58 ASN N N 58 119.880 119.880 119.760 0.120 19974 11948 1 15 . 1 1 58 58 ASN HA H 58 4.885 4.885 4.570 0.315 19974 11949 1 15 . 1 1 58 58 ASN C C 58 174.060 174.060 174.715 -0.655 19974 11950 1 15 . 1 1 58 58 ASN CA C 58 52.190 52.190 52.875 -0.685 19974 11951 1 15 . 1 1 58 58 ASN CB C 58 37.230 37.230 36.691 0.539 19974 11952 1 15 . 1 1 58 58 ASN H H 58 7.070 7.070 7.794 -0.724 19974 11953 1 15 . 1 1 59 59 THR N N 59 108.570 108.570 108.737 -0.167 19974 11954 1 15 . 1 1 59 59 THR HA H 59 4.449 4.449 4.533 -0.084 19974 11955 1 15 . 1 1 59 59 THR C C 59 175.810 175.810 174.554 1.256 19974 11956 1 15 . 1 1 59 59 THR CA C 59 59.600 59.600 60.131 -0.531 19974 11957 1 15 . 1 1 59 59 THR CB C 59 70.900 70.900 71.868 -0.968 19974 11958 1 15 . 1 1 59 59 THR H H 59 7.636 7.636 7.638 -0.002 19974 11959 1 15 . 1 1 60 60 LYS N N 60 126.400 126.400 124.796 1.604 19974 11960 1 15 . 1 1 60 60 LYS HA H 60 3.923 3.923 4.156 -0.233 19974 11961 1 15 . 1 1 60 60 LYS C C 60 179.030 179.030 177.023 2.007 19974 11962 1 15 . 1 1 60 60 LYS CA C 60 59.600 59.600 59.000 0.600 19974 11963 1 15 . 1 1 60 60 LYS CB C 60 32.480 32.480 32.589 -0.109 19974 11964 1 15 . 1 1 60 60 LYS H H 60 10.322 10.322 8.819 1.503 19974 11965 1 15 . 1 1 61 61 LEU N N 61 114.780 114.780 116.696 -1.916 19974 11966 1 15 . 1 1 61 61 LEU HA H 61 4.430 4.430 4.473 -0.043 19974 11967 1 15 . 1 1 61 61 LEU C C 61 175.660 175.660 175.942 -0.282 19974 11968 1 15 . 1 1 61 61 LEU CA C 61 52.830 52.830 53.938 -1.108 19974 11969 1 15 . 1 1 61 61 LEU CB C 61 40.470 40.470 42.525 -2.055 19974 11970 1 15 . 1 1 61 61 LEU H H 61 8.555 8.555 7.851 0.704 19974 11971 1 15 . 1 1 62 62 GLN N N 62 116.490 116.490 114.873 1.617 19974 11972 1 15 . 1 1 62 62 GLN HA H 62 3.715 3.715 4.018 -0.303 19974 11973 1 15 . 1 1 62 62 GLN C C 62 175.060 175.060 174.674 0.386 19974 11974 1 15 . 1 1 62 62 GLN CA C 62 56.440 56.440 56.516 -0.076 19974 11975 1 15 . 1 1 62 62 GLN CB C 62 26.480 26.480 26.509 -0.029 19974 11976 1 15 . 1 1 62 62 GLN H H 62 7.526 7.526 7.732 -0.206 19974 11977 1 15 . 1 1 63 63 ASN N N 63 114.760 114.760 115.307 -0.547 19974 11978 1 15 . 1 1 63 63 ASN HA H 63 4.352 4.352 4.787 -0.435 19974 11979 1 15 . 1 1 63 63 ASN C C 63 173.790 173.790 175.400 -1.610 19974 11980 1 15 . 1 1 63 63 ASN CA C 63 50.680 50.680 52.384 -1.704 19974 11981 1 15 . 1 1 63 63 ASN CB C 63 35.110 35.110 38.205 -3.095 19974 11982 1 15 . 1 1 63 63 ASN H H 63 8.243 8.243 7.943 0.300 19974 11983 1 15 . 1 1 64 64 GLY N N 64 105.820 105.820 107.904 -2.084 19974 11984 1 15 . 1 1 64 64 GLY C C 64 172.650 172.650 172.647 0.003 19974 11985 1 15 . 1 1 64 64 GLY CA C 64 44.136 44.136 44.882 -0.746 19974 11986 1 15 . 1 1 64 64 GLY H H 64 8.618 8.618 8.084 0.534 19974 11987 1 15 . 1 1 65 65 VAL N N 65 120.490 120.490 126.285 -5.795 19974 11988 1 15 . 1 1 65 65 VAL HA H 65 4.814 4.814 4.792 0.022 19974 11989 1 15 . 1 1 65 65 VAL C C 65 172.610 172.610 174.080 -1.470 19974 11990 1 15 . 1 1 65 65 VAL CA C 65 60.890 60.890 61.399 -0.509 19974 11991 1 15 . 1 1 65 65 VAL CB C 65 35.570 35.570 35.311 0.259 19974 11992 1 15 . 1 1 65 65 VAL H H 65 9.053 9.053 9.359 -0.306 19974 11993 1 15 . 1 1 66 66 LEU N N 66 127.740 127.740 128.633 -0.893 19974 11994 1 15 . 1 1 66 66 LEU HA H 66 5.097 5.097 5.457 -0.360 19974 11995 1 15 . 1 1 66 66 LEU C C 66 175.120 175.120 174.977 0.143 19974 11996 1 15 . 1 1 66 66 LEU CA C 66 51.870 51.870 53.288 -1.418 19974 11997 1 15 . 1 1 66 66 LEU CB C 66 47.520 47.520 46.261 1.259 19974 11998 1 15 . 1 1 66 66 LEU H H 66 9.245 9.245 9.310 -0.065 19974 11999 1 15 . 1 1 67 67 ILE N N 67 126.030 126.030 127.493 -1.463 19974 12000 1 15 . 1 1 67 67 ILE HA H 67 4.484 4.484 4.727 -0.243 19974 12001 1 15 . 1 1 67 67 ILE C C 67 173.290 173.290 174.880 -1.590 19974 12002 1 15 . 1 1 67 67 ILE CA C 67 61.090 61.090 60.472 0.618 19974 12003 1 15 . 1 1 67 67 ILE CB C 67 37.480 37.480 37.768 -0.288 19974 12004 1 15 . 1 1 67 67 ILE H H 67 8.974 8.974 9.267 -0.293 19974 12005 1 15 . 1 1 68 68 TYR N N 68 129.400 129.400 130.302 -0.902 19974 12006 1 15 . 1 1 68 68 TYR HA H 68 4.887 4.887 5.328 -0.441 19974 12007 1 15 . 1 1 68 68 TYR C C 68 174.140 174.140 173.993 0.147 19974 12008 1 15 . 1 1 68 68 TYR CA C 68 56.990 56.990 57.518 -0.528 19974 12009 1 15 . 1 1 68 68 TYR CB C 68 40.790 40.790 39.726 1.064 19974 12010 1 15 . 1 1 68 68 TYR H H 68 8.999 8.999 9.072 -0.073 19974 12011 1 15 . 1 1 69 69 VAL N N 69 126.790 126.790 128.261 -1.471 19974 12012 1 15 . 1 1 69 69 VAL HA H 69 4.401 4.401 4.712 -0.311 19974 12013 1 15 . 1 1 69 69 VAL C C 69 172.350 172.350 173.441 -1.091 19974 12014 1 15 . 1 1 69 69 VAL CA C 69 60.810 60.810 60.382 0.428 19974 12015 1 15 . 1 1 69 69 VAL CB C 69 34.360 34.360 35.888 -1.528 19974 12016 1 15 . 1 1 69 69 VAL H H 69 8.378 8.378 8.345 0.033 19974 12017 1 15 . 1 1 70 70 ALA N N 70 129.770 129.770 128.912 0.858 19974 12018 1 15 . 1 1 70 70 ALA HA H 70 4.592 4.592 5.250 -0.658 19974 12019 1 15 . 1 1 70 70 ALA C C 70 177.620 177.620 177.892 -0.272 19974 12020 1 15 . 1 1 70 70 ALA CA C 70 49.210 49.210 49.818 -0.608 19974 12021 1 15 . 1 1 70 70 ALA CB C 70 17.470 17.470 20.033 -2.563 19974 12022 1 15 . 1 1 70 70 ALA H H 70 8.078 8.078 8.800 -0.722 19974 12023 1 15 . 1 1 71 71 VAL N N 71 120.880 120.880 119.719 1.161 19974 12024 1 15 . 1 1 71 71 VAL HA H 71 2.847 2.847 3.773 -0.926 19974 12025 1 15 . 1 1 71 71 VAL C C 71 178.310 178.310 176.745 1.565 19974 12026 1 15 . 1 1 71 71 VAL CA C 71 66.030 66.030 64.399 1.631 19974 12027 1 15 . 1 1 71 71 VAL CB C 71 32.110 32.110 31.657 0.453 19974 12028 1 15 . 1 1 71 71 VAL H H 71 8.597 8.597 8.534 0.063 19974 12029 1 15 . 1 1 72 72 GLU N N 72 119.350 119.350 121.354 -2.004 19974 12030 1 15 . 1 1 72 72 GLU HA H 72 3.955 3.955 4.194 -0.239 19974 12031 1 15 . 1 1 72 72 GLU C C 72 177.650 177.650 177.589 0.061 19974 12032 1 15 . 1 1 72 72 GLU CA C 72 59.260 59.260 58.622 0.638 19974 12033 1 15 . 1 1 72 72 GLU CB C 72 28.940 28.940 29.430 -0.490 19974 12034 1 15 . 1 1 72 72 GLU H H 72 9.107 9.107 8.218 0.889 19974 12035 1 15 . 1 1 73 73 ASP N N 73 115.250 115.250 117.085 -1.835 19974 12036 1 15 . 1 1 73 73 ASP HA H 73 4.544 4.544 4.754 -0.210 19974 12037 1 15 . 1 1 73 73 ASP C C 73 175.460 175.460 176.160 -0.700 19974 12038 1 15 . 1 1 73 73 ASP CA C 73 54.030 54.030 53.876 0.154 19974 12039 1 15 . 1 1 73 73 ASP CB C 73 41.350 41.350 41.260 0.090 19974 12040 1 15 . 1 1 73 73 ASP H H 73 7.039 7.039 8.214 -1.175 19974 12041 1 15 . 1 1 74 74 LYS N N 74 115.850 115.850 118.494 -2.644 19974 12042 1 15 . 1 1 74 74 LYS HA H 74 3.502 3.502 4.043 -0.541 19974 12043 1 15 . 1 1 74 74 LYS C C 74 174.920 174.920 175.487 -0.567 19974 12044 1 15 . 1 1 74 74 LYS CA C 74 57.180 57.180 57.446 -0.266 19974 12045 1 15 . 1 1 74 74 LYS CB C 74 29.100 29.100 30.871 -1.771 19974 12046 1 15 . 1 1 74 74 LYS H H 74 8.012 8.012 8.199 -0.187 19974 12047 1 15 . 1 1 75 75 THR N N 75 111.710 111.710 109.572 2.138 19974 12048 1 15 . 1 1 75 75 THR HA H 75 4.725 4.725 4.904 -0.179 19974 12049 1 15 . 1 1 75 75 THR C C 75 172.150 172.150 173.007 -0.857 19974 12050 1 15 . 1 1 75 75 THR CA C 75 60.740 60.740 59.508 1.232 19974 12051 1 15 . 1 1 75 75 THR CB C 75 70.900 70.900 71.421 -0.521 19974 12052 1 15 . 1 1 75 75 THR H H 75 7.763 7.763 7.601 0.162 19974 12053 1 15 . 1 1 76 76 PHE N N 76 117.220 117.220 117.458 -0.238 19974 12054 1 15 . 1 1 76 76 PHE HA H 76 5.968 5.968 5.717 0.251 19974 12055 1 15 . 1 1 76 76 PHE C C 76 173.250 173.250 173.222 0.028 19974 12056 1 15 . 1 1 76 76 PHE CA C 76 54.920 54.920 55.916 -0.996 19974 12057 1 15 . 1 1 76 76 PHE CB C 76 42.780 42.780 41.835 0.945 19974 12058 1 15 . 1 1 76 76 PHE H H 76 7.992 7.992 7.920 0.072 19974 12059 1 15 . 1 1 77 77 VAL N N 77 120.030 120.030 120.543 -0.513 19974 12060 1 15 . 1 1 77 77 VAL HA H 77 4.015 4.015 4.545 -0.530 19974 12061 1 15 . 1 1 77 77 VAL C C 77 173.310 173.310 174.600 -1.290 19974 12062 1 15 . 1 1 77 77 VAL CA C 77 60.840 60.840 60.898 -0.058 19974 12063 1 15 . 1 1 77 77 VAL CB C 77 37.410 37.410 36.214 1.196 19974 12064 1 15 . 1 1 77 77 VAL H H 77 9.447 9.447 9.276 0.171 19974 12065 1 15 . 1 1 78 78 ILE N N 78 125.240 125.240 124.515 0.725 19974 12066 1 15 . 1 1 78 78 ILE HA H 78 4.433 4.433 5.048 -0.615 19974 12067 1 15 . 1 1 78 78 ILE C C 78 174.090 174.090 174.833 -0.743 19974 12068 1 15 . 1 1 78 78 ILE CA C 78 60.081 60.081 60.053 0.028 19974 12069 1 15 . 1 1 78 78 ILE CB C 78 38.340 38.340 39.916 -1.576 19974 12070 1 15 . 1 1 78 78 ILE H H 78 8.155 8.155 8.390 -0.235 19974 12071 1 15 . 1 1 79 79 TYR N N 79 130.130 130.130 127.930 2.200 19974 12072 1 15 . 1 1 79 79 TYR HA H 79 4.422 4.422 5.070 -0.648 19974 12073 1 15 . 1 1 79 79 TYR C C 79 172.740 172.740 173.800 -1.060 19974 12074 1 15 . 1 1 79 79 TYR CA C 79 57.390 57.390 57.020 0.370 19974 12075 1 15 . 1 1 79 79 TYR CB C 79 40.820 40.820 42.788 -1.968 19974 12076 1 15 . 1 1 79 79 TYR H H 79 9.328 9.328 9.203 0.125 19974 12077 1 15 . 1 1 80 80 GLY N N 80 114.140 114.140 113.163 0.977 19974 12078 1 15 . 1 1 80 80 GLY C C 80 171.090 171.090 172.721 -1.631 19974 12079 1 15 . 1 1 80 80 GLY CA C 80 42.860 42.860 43.153 -0.293 19974 12080 1 15 . 1 1 80 80 GLY H H 80 7.837 7.837 7.893 -0.056 19974 12081 1 15 . 1 1 81 81 ASP N N 81 115.660 115.660 122.067 -6.407 19974 12082 1 15 . 1 1 81 81 ASP HA H 81 4.248 4.248 4.218 0.030 19974 12083 1 15 . 1 1 81 81 ASP C C 81 176.980 176.980 177.770 -0.790 19974 12084 1 15 . 1 1 81 81 ASP CA C 81 51.950 51.950 53.104 -1.154 19974 12085 1 15 . 1 1 81 81 ASP CB C 81 41.260 41.260 43.334 -2.074 19974 12086 1 15 . 1 1 81 81 ASP H H 81 7.633 7.633 8.468 -0.835 19974 12087 1 15 . 1 1 82 82 LYS N N 82 120.470 120.470 122.518 -2.048 19974 12088 1 15 . 1 1 82 82 LYS HA H 82 3.764 3.764 3.895 -0.131 19974 12089 1 15 . 1 1 82 82 LYS C C 82 176.350 176.350 178.500 -2.150 19974 12090 1 15 . 1 1 82 82 LYS CA C 82 59.290 59.290 59.855 -0.565 19974 12091 1 15 . 1 1 82 82 LYS CB C 82 33.720 33.720 32.373 1.347 19974 12092 1 15 . 1 1 82 82 LYS H H 82 9.212 9.212 8.634 0.578 19974 12093 1 15 . 1 1 83 83 GLY N N 83 105.260 105.260 106.536 -1.276 19974 12094 1 15 . 1 1 83 83 GLY C C 83 176.540 176.540 176.017 0.523 19974 12095 1 15 . 1 1 83 83 GLY CA C 83 46.260 46.260 46.772 -0.512 19974 12096 1 15 . 1 1 83 83 GLY H H 83 8.367 8.367 7.994 0.373 19974 12097 1 15 . 1 1 84 84 ILE N N 84 117.510 117.510 122.292 -4.782 19974 12098 1 15 . 1 1 84 84 ILE HA H 84 3.644 3.644 3.704 -0.060 19974 12099 1 15 . 1 1 84 84 ILE C C 84 177.010 177.010 177.437 -0.427 19974 12100 1 15 . 1 1 84 84 ILE CA C 84 63.636 63.636 65.033 -1.397 19974 12101 1 15 . 1 1 84 84 ILE CB C 84 38.820 38.820 38.070 0.750 19974 12102 1 15 . 1 1 84 84 ILE H H 84 7.040 7.040 7.601 -0.561 19974 12103 1 15 . 1 1 85 85 ASN N N 85 117.400 117.400 117.740 -0.340 19974 12104 1 15 . 1 1 85 85 ASN HA H 85 4.115 4.115 4.237 -0.122 19974 12105 1 15 . 1 1 85 85 ASN C C 85 176.600 176.600 176.817 -0.217 19974 12106 1 15 . 1 1 85 85 ASN CA C 85 55.840 55.840 56.125 -0.285 19974 12107 1 15 . 1 1 85 85 ASN CB C 85 37.720 37.720 38.392 -0.672 19974 12108 1 15 . 1 1 85 85 ASN H H 85 7.351 7.351 7.686 -0.335 19974 12109 1 15 . 1 1 86 86 ASP N N 86 115.890 115.890 118.570 -2.680 19974 12110 1 15 . 1 1 86 86 ASP HA H 86 4.391 4.391 4.538 -0.147 19974 12111 1 15 . 1 1 86 86 ASP C C 86 177.240 177.240 177.568 -0.328 19974 12112 1 15 . 1 1 86 86 ASP CA C 86 56.260 56.260 56.502 -0.242 19974 12113 1 15 . 1 1 86 86 ASP CB C 86 41.200 41.200 41.507 -0.306 19974 12114 1 15 . 1 1 86 86 ASP H H 86 8.377 8.377 8.298 0.079 19974 12115 1 15 . 1 1 87 87 VAL N N 87 109.640 109.640 113.496 -3.856 19974 12116 1 15 . 1 1 87 87 VAL HA H 87 4.473 4.473 4.351 0.122 19974 12117 1 15 . 1 1 87 87 VAL C C 87 175.780 175.780 176.133 -0.353 19974 12118 1 15 . 1 1 87 87 VAL CA C 87 61.320 61.320 62.832 -1.512 19974 12119 1 15 . 1 1 87 87 VAL CB C 87 34.170 34.170 33.658 0.512 19974 12120 1 15 . 1 1 87 87 VAL H H 87 7.196 7.196 7.567 -0.371 19974 12121 1 15 . 1 1 88 88 VAL N N 88 113.200 113.200 114.774 -1.574 19974 12122 1 15 . 1 1 88 88 VAL HA H 88 3.789 3.789 4.151 -0.362 19974 12123 1 15 . 1 1 88 88 VAL C C 88 175.760 175.760 174.838 0.922 19974 12124 1 15 . 1 1 88 88 VAL CA C 88 60.640 60.640 59.974 0.666 19974 12125 1 15 . 1 1 88 88 VAL CB C 88 32.970 32.970 33.696 -0.726 19974 12126 1 15 . 1 1 88 88 VAL H H 88 6.921 6.921 7.792 -0.871 19974 12127 1 15 . 1 1 89 89 SER N N 89 114.460 114.460 114.915 -0.455 19974 12128 1 15 . 1 1 89 89 SER HA H 89 4.546 4.546 4.728 -0.182 19974 12129 1 15 . 1 1 89 89 SER C C 89 175.720 175.720 174.725 0.995 19974 12130 1 15 . 1 1 89 89 SER CA C 89 57.330 57.330 56.688 0.642 19974 12131 1 15 . 1 1 89 89 SER CB C 89 64.500 64.500 66.242 -1.742 19974 12132 1 15 . 1 1 89 89 SER H H 89 7.738 7.738 8.300 -0.562 19974 12133 1 15 . 1 1 90 90 ASP N N 90 120.250 120.250 121.915 -1.665 19974 12134 1 15 . 1 1 90 90 ASP HA H 90 4.361 4.361 4.486 -0.125 19974 12135 1 15 . 1 1 90 90 ASP C C 90 176.630 176.630 178.145 -1.515 19974 12136 1 15 . 1 1 90 90 ASP CA C 90 57.050 57.050 57.193 -0.143 19974 12137 1 15 . 1 1 90 90 ASP CB C 90 40.540 40.540 40.560 -0.020 19974 12138 1 15 . 1 1 90 90 ASP H H 90 8.687 8.687 8.941 -0.254 19974 12139 1 15 . 1 1 91 91 ASP N N 91 116.800 116.800 118.016 -1.216 19974 12140 1 15 . 1 1 91 91 ASP HA H 91 4.605 4.605 4.570 0.035 19974 12141 1 15 . 1 1 91 91 ASP C C 91 177.610 177.610 178.123 -0.513 19974 12142 1 15 . 1 1 91 91 ASP CA C 91 52.890 52.890 56.333 -3.443 19974 12143 1 15 . 1 1 91 91 ASP CB C 91 40.230 40.230 40.438 -0.208 19974 12144 1 15 . 1 1 91 91 ASP H H 91 8.250 8.250 8.814 -0.564 19974 12145 1 15 . 1 1 92 92 PHE N N 92 122.130 122.130 120.588 1.542 19974 12146 1 15 . 1 1 92 92 PHE HA H 92 3.857 3.857 4.424 -0.567 19974 12147 1 15 . 1 1 92 92 PHE C C 92 177.040 177.040 176.576 0.464 19974 12148 1 15 . 1 1 92 92 PHE CA C 92 61.910 61.910 60.616 1.294 19974 12149 1 15 . 1 1 92 92 PHE CB C 92 40.696 40.696 39.699 0.997 19974 12150 1 15 . 1 1 92 92 PHE H H 92 7.564 7.564 7.722 -0.158 19974 12151 1 15 . 1 1 93 93 TRP N N 93 113.980 113.980 118.419 -4.439 19974 12152 1 15 . 1 1 93 93 TRP HA H 93 4.726 4.726 4.642 0.084 19974 12153 1 15 . 1 1 93 93 TRP C C 93 176.420 176.420 177.968 -1.548 19974 12154 1 15 . 1 1 93 93 TRP CA C 93 56.020 56.020 58.837 -2.817 19974 12155 1 15 . 1 1 93 93 TRP CB C 93 29.990 29.990 29.551 0.439 19974 12156 1 15 . 1 1 93 93 TRP H H 93 8.532 8.532 7.503 1.029 19974 12157 1 15 . 1 1 94 94 ASP N N 94 122.120 122.120 120.233 1.887 19974 12158 1 15 . 1 1 94 94 ASP HA H 94 4.228 4.228 4.365 -0.137 19974 12159 1 15 . 1 1 94 94 ASP C C 94 178.550 178.550 177.968 0.582 19974 12160 1 15 . 1 1 94 94 ASP CA C 94 59.120 59.120 58.016 1.104 19974 12161 1 15 . 1 1 94 94 ASP CB C 94 39.140 39.140 40.683 -1.543 19974 12162 1 15 . 1 1 94 94 ASP H H 94 7.904 7.904 8.605 -0.701 19974 12163 1 15 . 1 1 95 95 THR N N 95 111.200 111.200 110.781 0.419 19974 12164 1 15 . 1 1 95 95 THR HA H 95 4.004 4.004 4.017 -0.013 19974 12165 1 15 . 1 1 95 95 THR C C 95 177.630 177.630 176.721 0.909 19974 12166 1 15 . 1 1 95 95 THR CA C 95 65.560 65.560 66.061 -0.501 19974 12167 1 15 . 1 1 95 95 THR CB C 95 68.230 68.230 68.447 -0.217 19974 12168 1 15 . 1 1 95 95 THR H H 95 8.559 8.559 8.097 0.462 19974 12169 1 15 . 1 1 96 96 THR N N 96 123.230 123.230 118.857 4.373 19974 12170 1 15 . 1 1 96 96 THR HA H 96 3.725 3.725 3.908 -0.183 19974 12171 1 15 . 1 1 96 96 THR C C 96 175.410 175.410 176.517 -1.107 19974 12172 1 15 . 1 1 96 96 THR CA C 96 68.286 68.286 66.677 1.609 19974 12173 1 15 . 1 1 96 96 THR CB C 96 68.200 68.200 68.443 -0.243 19974 12174 1 15 . 1 1 96 96 THR H H 96 7.991 7.991 7.303 0.688 19974 12175 1 15 . 1 1 97 97 ARG N N 97 119.960 119.960 121.323 -1.363 19974 12176 1 15 . 1 1 97 97 ARG HA H 97 3.829 3.829 4.008 -0.179 19974 12177 1 15 . 1 1 97 97 ARG C C 97 178.320 178.320 178.759 -0.439 19974 12178 1 15 . 1 1 97 97 ARG CA C 97 60.390 60.390 59.989 0.401 19974 12179 1 15 . 1 1 97 97 ARG CB C 97 29.870 29.870 30.237 -0.367 19974 12180 1 15 . 1 1 97 97 ARG H H 97 8.825 8.825 8.000 0.825 19974 12181 1 15 . 1 1 98 98 ASN N N 98 115.680 115.680 118.377 -2.697 19974 12182 1 15 . 1 1 98 98 ASN HA H 98 4.390 4.390 4.445 -0.055 19974 12183 1 15 . 1 1 98 98 ASN C C 98 176.620 176.620 177.408 -0.788 19974 12184 1 15 . 1 1 98 98 ASN CA C 98 56.050 56.050 56.256 -0.206 19974 12185 1 15 . 1 1 98 98 ASN CB C 98 38.220 38.220 37.897 0.323 19974 12186 1 15 . 1 1 98 98 ASN H H 98 8.508 8.508 8.468 0.040 19974 12187 1 15 . 1 1 99 99 ALA N N 99 120.830 120.830 123.203 -2.373 19974 12188 1 15 . 1 1 99 99 ALA HA H 99 4.020 4.020 3.982 0.038 19974 12189 1 15 . 1 1 99 99 ALA C C 99 179.800 179.800 179.601 0.199 19974 12190 1 15 . 1 1 99 99 ALA CA C 99 54.770 54.770 55.056 -0.286 19974 12191 1 15 . 1 1 99 99 ALA CB C 99 18.110 18.110 18.555 -0.445 19974 12192 1 15 . 1 1 99 99 ALA H H 99 7.447 7.447 7.407 0.040 19974 12193 1 15 . 1 1 100 100 ILE N N 100 116.240 116.240 118.947 -2.707 19974 12194 1 15 . 1 1 100 100 ILE HA H 100 3.203 3.203 3.554 -0.351 19974 12195 1 15 . 1 1 100 100 ILE C C 100 178.050 178.050 177.640 0.410 19974 12196 1 15 . 1 1 100 100 ILE CA C 100 64.550 64.550 64.942 -0.392 19974 12197 1 15 . 1 1 100 100 ILE CB C 100 37.640 37.640 37.235 0.405 19974 12198 1 15 . 1 1 100 100 ILE H H 100 7.339 7.339 7.430 -0.091 19974 12199 1 15 . 1 1 101 101 GLN N N 101 118.750 118.750 119.610 -0.860 19974 12200 1 15 . 1 1 101 101 GLN HA H 101 3.917 3.917 3.884 0.033 19974 12201 1 15 . 1 1 101 101 GLN C C 101 177.870 177.870 178.569 -0.699 19974 12202 1 15 . 1 1 101 101 GLN CA C 101 59.200 59.200 58.714 0.486 19974 12203 1 15 . 1 1 101 101 GLN CB C 101 28.860 28.860 28.496 0.364 19974 12204 1 15 . 1 1 101 101 GLN H H 101 8.359 8.359 8.219 0.140 19974 12205 1 15 . 1 1 102 102 LEU N N 102 117.790 117.790 119.170 -1.380 19974 12206 1 15 . 1 1 102 102 LEU HA H 102 3.951 3.951 4.015 -0.064 19974 12207 1 15 . 1 1 102 102 LEU C C 102 179.550 179.550 179.578 -0.028 19974 12208 1 15 . 1 1 102 102 LEU CA C 102 58.190 58.190 57.603 0.587 19974 12209 1 15 . 1 1 102 102 LEU CB C 102 42.320 42.320 41.791 0.529 19974 12210 1 15 . 1 1 102 102 LEU H H 102 8.119 8.119 8.385 -0.266 19974 12211 1 15 . 1 1 103 103 GLN N N 103 113.650 113.650 118.146 -4.496 19974 12212 1 15 . 1 1 103 103 GLN HA H 103 4.426 4.426 4.153 0.273 19974 12213 1 15 . 1 1 103 103 GLN C C 103 179.680 179.680 178.479 1.201 19974 12214 1 15 . 1 1 103 103 GLN CA C 103 56.550 56.550 57.922 -1.372 19974 12215 1 15 . 1 1 103 103 GLN CB C 103 27.480 27.480 28.546 -1.066 19974 12216 1 15 . 1 1 103 103 GLN H H 103 6.636 6.636 7.599 -0.963 19974 12217 1 15 . 1 1 104 104 PHE N N 104 123.740 123.740 120.796 2.944 19974 12218 1 15 . 1 1 104 104 PHE HA H 104 3.895 3.895 4.190 -0.295 19974 12219 1 15 . 1 1 104 104 PHE C C 104 180.130 180.130 177.718 2.412 19974 12220 1 15 . 1 1 104 104 PHE CA C 104 59.760 59.760 61.261 -1.501 19974 12221 1 15 . 1 1 104 104 PHE CB C 104 36.620 36.620 39.012 -2.392 19974 12222 1 15 . 1 1 104 104 PHE H H 104 9.161 9.161 8.768 0.393 19974 12223 1 15 . 1 1 105 105 LYS N N 105 119.280 119.280 119.167 0.113 19974 12224 1 15 . 1 1 105 105 LYS HA H 105 4.126 4.126 4.089 0.037 19974 12225 1 15 . 1 1 105 105 LYS C C 105 177.290 177.290 177.987 -0.697 19974 12226 1 15 . 1 1 105 105 LYS CA C 105 58.913 58.913 59.000 -0.087 19974 12227 1 15 . 1 1 105 105 LYS CB C 105 31.920 31.920 32.351 -0.431 19974 12228 1 15 . 1 1 105 105 LYS H H 105 8.519 8.519 8.128 0.391 19974 12229 1 15 . 1 1 106 106 GLN N N 106 114.530 114.530 115.220 -0.690 19974 12230 1 15 . 1 1 106 106 GLN HA H 106 4.415 4.415 4.226 0.189 19974 12231 1 15 . 1 1 106 106 GLN C C 106 175.450 175.450 176.832 -1.382 19974 12232 1 15 . 1 1 106 106 GLN CA C 106 54.850 54.850 56.728 -1.878 19974 12233 1 15 . 1 1 106 106 GLN CB C 106 30.010 30.010 29.638 0.372 19974 12234 1 15 . 1 1 106 106 GLN H H 106 6.934 6.934 7.453 -0.519 19974 12235 1 15 . 1 1 107 107 GLY N N 107 106.800 106.800 104.757 2.043 19974 12236 1 15 . 1 1 107 107 GLY C C 107 173.140 173.140 173.605 -0.465 19974 12237 1 15 . 1 1 107 107 GLY CA C 107 44.930 44.930 44.244 0.686 19974 12238 1 15 . 1 1 107 107 GLY H H 107 7.722 7.722 8.176 -0.454 19974 12239 1 15 . 1 1 108 108 ASN N N 108 120.230 120.230 121.334 -1.104 19974 12240 1 15 . 1 1 108 108 ASN HA H 108 4.827 4.827 4.770 0.057 19974 12241 1 15 . 1 1 108 108 ASN C C 108 174.820 174.820 175.146 -0.326 19974 12242 1 15 . 1 1 108 108 ASN CA C 108 50.520 50.520 50.200 0.320 19974 12243 1 15 . 1 1 108 108 ASN CB C 108 37.090 37.090 36.977 0.113 19974 12244 1 15 . 1 1 108 108 ASN H H 108 7.654 7.654 7.781 -0.127 19974 12245 1 15 . 1 1 109 109 PHE N N 109 122.130 122.130 122.804 -0.674 19974 12246 1 15 . 1 1 109 109 PHE HA H 109 4.038 4.038 3.588 0.450 19974 12247 1 15 . 1 1 109 109 PHE C C 109 177.270 177.270 177.545 -0.275 19974 12248 1 15 . 1 1 109 109 PHE CA C 109 60.670 60.670 61.196 -0.526 19974 12249 1 15 . 1 1 109 109 PHE CB C 109 38.220 38.220 38.106 0.114 19974 12250 1 15 . 1 1 109 109 PHE H H 109 7.231 7.231 6.870 0.361 19974 12251 1 15 . 1 1 110 110 LYS N N 110 118.670 118.670 119.467 -0.797 19974 12252 1 15 . 1 1 110 110 LYS HA H 110 3.610 3.610 3.799 -0.189 19974 12253 1 15 . 1 1 110 110 LYS C C 110 177.680 177.680 178.539 -0.859 19974 12254 1 15 . 1 1 110 110 LYS CA C 110 60.050 60.050 60.295 -0.245 19974 12255 1 15 . 1 1 110 110 LYS CB C 110 29.680 29.680 31.547 -1.867 19974 12256 1 15 . 1 1 110 110 LYS H H 110 8.727 8.727 8.587 0.140 19974 12257 1 15 . 1 1 111 111 GLN N N 111 117.980 117.980 118.686 -0.706 19974 12258 1 15 . 1 1 111 111 GLN HA H 111 3.491 3.491 4.021 -0.530 19974 12259 1 15 . 1 1 111 111 GLN C C 111 177.640 177.640 178.645 -1.005 19974 12260 1 15 . 1 1 111 111 GLN CA C 111 57.530 57.530 58.627 -1.097 19974 12261 1 15 . 1 1 111 111 GLN CB C 111 28.460 28.460 28.248 0.212 19974 12262 1 15 . 1 1 111 111 GLN H H 111 8.442 8.442 8.206 0.236 19974 12263 1 15 . 1 1 112 112 GLY N N 112 103.740 103.740 107.837 -4.097 19974 12264 1 15 . 1 1 112 112 GLY C C 112 173.970 173.970 176.326 -2.356 19974 12265 1 15 . 1 1 112 112 GLY CA C 112 48.730 48.730 47.024 1.706 19974 12266 1 15 . 1 1 112 112 GLY H H 112 8.196 8.196 8.241 -0.045 19974 12267 1 15 . 1 1 113 113 LEU N N 113 119.640 119.640 122.856 -3.216 19974 12268 1 15 . 1 1 113 113 LEU HA H 113 3.868 3.868 4.088 -0.220 19974 12269 1 15 . 1 1 113 113 LEU C C 113 177.480 177.480 178.885 -1.405 19974 12270 1 15 . 1 1 113 113 LEU CA C 113 58.150 58.150 57.635 0.515 19974 12271 1 15 . 1 1 113 113 LEU CB C 113 41.920 41.920 42.127 -0.207 19974 12272 1 15 . 1 1 113 113 LEU H H 113 7.614 7.614 8.156 -0.542 19974 12273 1 15 . 1 1 114 114 VAL N N 114 118.510 118.510 120.902 -2.392 19974 12274 1 15 . 1 1 114 114 VAL HA H 114 3.269 3.269 3.490 -0.221 19974 12275 1 15 . 1 1 114 114 VAL C C 114 177.330 177.330 177.882 -0.552 19974 12276 1 15 . 1 1 114 114 VAL CA C 114 67.787 67.787 67.513 0.274 19974 12277 1 15 . 1 1 114 114 VAL CB C 114 31.600 31.600 31.607 -0.007 19974 12278 1 15 . 1 1 114 114 VAL H H 114 8.284 8.284 8.572 -0.288 19974 12279 1 15 . 1 1 115 115 ASP N N 115 119.440 119.440 118.788 0.652 19974 12280 1 15 . 1 1 115 115 ASP HA H 115 4.261 4.261 4.409 -0.148 19974 12281 1 15 . 1 1 115 115 ASP C C 115 179.840 179.840 178.656 1.184 19974 12282 1 15 . 1 1 115 115 ASP CA C 115 56.950 56.950 57.464 -0.514 19974 12283 1 15 . 1 1 115 115 ASP CB C 115 39.840 39.840 40.533 -0.694 19974 12284 1 15 . 1 1 115 115 ASP H H 115 8.724 8.724 8.602 0.122 19974 12285 1 15 . 1 1 116 116 GLY N N 116 107.280 107.280 107.998 -0.718 19974 12286 1 15 . 1 1 116 116 GLY C C 116 174.130 174.130 176.327 -2.197 19974 12287 1 15 . 1 1 116 116 GLY CA C 116 47.190 47.190 46.964 0.226 19974 12288 1 15 . 1 1 116 116 GLY H H 116 8.370 8.370 7.850 0.520 19974 12289 1 15 . 1 1 117 117 ILE N N 117 123.350 123.350 122.781 0.569 19974 12290 1 15 . 1 1 117 117 ILE HA H 117 3.307 3.307 3.581 -0.274 19974 12291 1 15 . 1 1 117 117 ILE C C 117 176.750 176.750 177.770 -1.020 19974 12292 1 15 . 1 1 117 117 ILE CA C 117 66.168 66.168 65.473 0.695 19974 12293 1 15 . 1 1 117 117 ILE CB C 117 37.760 37.760 37.867 -0.107 19974 12294 1 15 . 1 1 117 117 ILE H H 117 8.573 8.573 8.302 0.271 19974 12295 1 15 . 1 1 118 118 GLU N N 118 119.220 119.220 119.966 -0.746 19974 12296 1 15 . 1 1 118 118 GLU HA H 118 4.003 4.003 3.936 0.067 19974 12297 1 15 . 1 1 118 118 GLU C C 118 180.600 180.600 179.207 1.393 19974 12298 1 15 . 1 1 118 118 GLU CA C 118 59.472 59.472 59.854 -0.382 19974 12299 1 15 . 1 1 118 118 GLU CB C 118 29.310 29.310 29.155 0.155 19974 12300 1 15 . 1 1 118 118 GLU H H 118 7.998 7.998 8.377 -0.379 19974 12301 1 15 . 1 1 119 119 LYS N N 119 118.270 118.270 119.010 -0.740 19974 12302 1 15 . 1 1 119 119 LYS HA H 119 3.897 3.897 4.032 -0.135 19974 12303 1 15 . 1 1 119 119 LYS C C 119 179.040 179.040 179.025 0.015 19974 12304 1 15 . 1 1 119 119 LYS CA C 119 58.090 58.090 59.384 -1.294 19974 12305 1 15 . 1 1 119 119 LYS CB C 119 31.340 31.340 32.218 -0.877 19974 12306 1 15 . 1 1 119 119 LYS H H 119 7.846 7.846 8.106 -0.260 19974 12307 1 15 . 1 1 120 120 ALA N N 120 125.280 125.280 122.443 2.837 19974 12308 1 15 . 1 1 120 120 ALA HA H 120 4.195 4.195 3.976 0.219 19974 12309 1 15 . 1 1 120 120 ALA C C 120 180.230 180.230 179.381 0.849 19974 12310 1 15 . 1 1 120 120 ALA CA C 120 55.040 55.040 55.081 -0.041 19974 12311 1 15 . 1 1 120 120 ALA CB C 120 17.380 17.380 18.273 -0.893 19974 12312 1 15 . 1 1 120 120 ALA H H 120 9.092 9.092 7.804 1.288 19974 12313 1 15 . 1 1 121 121 GLY N N 121 104.130 104.130 106.875 -2.745 19974 12314 1 15 . 1 1 121 121 GLY C C 121 174.930 174.930 176.435 -1.505 19974 12315 1 15 . 1 1 121 121 GLY CA C 121 47.590 47.590 47.188 0.402 19974 12316 1 15 . 1 1 121 121 GLY H H 121 8.606 8.606 8.522 0.084 19974 12317 1 15 . 1 1 122 122 MET N N 122 117.000 117.000 120.520 -3.520 19974 12318 1 15 . 1 1 122 122 MET HA H 122 4.183 4.183 4.117 0.066 19974 12319 1 15 . 1 1 122 122 MET C C 122 178.500 178.500 178.272 0.228 19974 12320 1 15 . 1 1 122 122 MET CA C 122 57.470 57.470 59.120 -1.649 19974 12321 1 15 . 1 1 122 122 MET CB C 122 32.200 32.200 32.684 -0.484 19974 12322 1 15 . 1 1 122 122 MET H H 122 7.284 7.284 8.327 -1.043 19974 12323 1 15 . 1 1 123 123 ALA N N 123 124.060 124.060 121.121 2.939 19974 12324 1 15 . 1 1 123 123 ALA HA H 123 4.076 4.076 4.393 -0.317 19974 12325 1 15 . 1 1 123 123 ALA C C 123 180.880 180.880 180.458 0.422 19974 12326 1 15 . 1 1 123 123 ALA CA C 123 54.760 54.760 54.536 0.224 19974 12327 1 15 . 1 1 123 123 ALA CB C 123 17.590 17.590 18.733 -1.143 19974 12328 1 15 . 1 1 123 123 ALA H H 123 8.308 8.308 7.624 0.684 19974 12329 1 15 . 1 1 124 124 LEU N N 124 117.060 117.060 120.293 -3.233 19974 12330 1 15 . 1 1 124 124 LEU HA H 124 4.270 4.270 4.285 -0.015 19974 12331 1 15 . 1 1 124 124 LEU C C 124 179.170 179.170 178.892 0.278 19974 12332 1 15 . 1 1 124 124 LEU CA C 124 57.840 57.840 57.675 0.165 19974 12333 1 15 . 1 1 124 124 LEU CB C 124 42.920 42.920 41.882 1.038 19974 12334 1 15 . 1 1 124 124 LEU H H 124 8.871 8.871 8.874 -0.003 19974 12335 1 15 . 1 1 125 125 ALA N N 125 120.950 120.950 121.156 -0.206 19974 12336 1 15 . 1 1 125 125 ALA HA H 125 3.956 3.956 4.415 -0.459 19974 12337 1 15 . 1 1 125 125 ALA C C 125 177.740 177.740 179.077 -1.337 19974 12338 1 15 . 1 1 125 125 ALA CA C 125 55.220 55.220 54.800 0.420 19974 12339 1 15 . 1 1 125 125 ALA CB C 125 19.180 19.180 18.406 0.774 19974 12340 1 15 . 1 1 125 125 ALA H H 125 7.829 7.829 8.399 -0.570 19974 12341 1 15 . 1 1 126 126 LYS N N 126 113.320 113.320 117.947 -4.627 19974 12342 1 15 . 1 1 126 126 LYS HA H 126 3.798 3.798 4.098 -0.300 19974 12343 1 15 . 1 1 126 126 LYS C C 126 176.550 176.550 177.886 -1.336 19974 12344 1 15 . 1 1 126 126 LYS CA C 126 58.490 58.490 58.626 -0.136 19974 12345 1 15 . 1 1 126 126 LYS CB C 126 32.620 32.620 32.668 -0.048 19974 12346 1 15 . 1 1 126 126 LYS H H 126 6.971 6.971 7.686 -0.715 19974 12347 1 15 . 1 1 127 127 TYR N N 127 113.850 113.850 116.180 -2.330 19974 12348 1 15 . 1 1 127 127 TYR HA H 127 4.067 4.067 4.291 -0.224 19974 12349 1 15 . 1 1 127 127 TYR C C 127 174.390 174.390 175.908 -1.518 19974 12350 1 15 . 1 1 127 127 TYR CA C 127 58.770 58.770 59.936 -1.166 19974 12351 1 15 . 1 1 127 127 TYR CB C 127 41.930 41.930 39.959 1.971 19974 12352 1 15 . 1 1 127 127 TYR H H 127 6.817 6.817 7.691 -0.874 19974 12353 1 15 . 1 1 128 128 PHE N N 128 116.130 116.130 117.616 -1.486 19974 12354 1 15 . 1 1 128 128 PHE HA H 128 4.907 4.907 5.034 -0.127 19974 12355 1 15 . 1 1 128 128 PHE C C 128 172.450 172.450 173.691 -1.241 19974 12356 1 15 . 1 1 128 128 PHE CA C 128 55.003 55.003 55.052 -0.049 19974 12357 1 15 . 1 1 128 128 PHE CB C 128 38.550 38.550 40.479 -1.929 19974 12358 1 15 . 1 1 128 128 PHE H H 128 8.688 8.688 8.578 0.110 19974 12359 1 15 . 1 1 129 129 PRO HA H 129 4.680 4.680 4.641 0.039 19974 12360 1 15 . 1 1 129 129 PRO C C 129 175.720 175.720 176.325 -0.605 19974 12361 1 15 . 1 1 129 129 PRO CA C 129 63.382 63.382 62.587 0.796 19974 12362 1 15 . 1 1 129 129 PRO CB C 129 31.810 31.810 32.431 -0.621 19974 12363 1 15 . 1 1 130 130 TRP N N 130 123.170 123.170 125.721 -2.551 19974 12364 1 15 . 1 1 130 130 TRP HA H 130 4.031 4.031 4.694 -0.663 19974 12365 1 15 . 1 1 130 130 TRP C C 130 175.310 175.310 176.133 -0.823 19974 12366 1 15 . 1 1 130 130 TRP CA C 130 59.510 59.510 57.766 1.744 19974 12367 1 15 . 1 1 130 130 TRP CB C 130 29.300 29.300 30.553 -1.253 19974 12368 1 15 . 1 1 130 130 TRP H H 130 7.910 7.910 8.486 -0.576 19974 12369 1 15 . 1 1 131 131 LYS N N 131 127.060 127.060 121.986 5.074 19974 12370 1 15 . 1 1 131 131 LYS HA H 131 4.260 4.260 4.314 -0.054 19974 12371 1 15 . 1 1 131 131 LYS C C 131 174.450 174.450 174.914 -0.464 19974 12372 1 15 . 1 1 131 131 LYS CA C 131 53.240 53.240 54.356 -1.117 19974 12373 1 15 . 1 1 131 131 LYS CB C 131 35.250 35.250 34.956 0.294 19974 12374 1 15 . 1 1 131 131 LYS H H 131 8.097 8.097 7.018 1.079 19974 12375 1 15 . 1 1 132 132 LYS N N 132 116.250 116.250 120.320 -4.070 19974 12376 1 15 . 1 1 132 132 LYS HA H 132 3.398 3.398 3.649 -0.251 19974 12377 1 15 . 1 1 132 132 LYS C C 132 176.550 176.550 176.031 0.519 19974 12378 1 15 . 1 1 132 132 LYS CA C 132 58.140 58.140 58.273 -0.133 19974 12379 1 15 . 1 1 132 132 LYS CB C 132 31.880 31.880 32.406 -0.526 19974 12380 1 15 . 1 1 132 132 LYS H H 132 7.761 7.761 8.322 -0.561 19974 12381 1 15 . 1 1 133 133 ASP N N 133 116.600 116.600 118.180 -1.580 19974 12382 1 15 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.687 -0.336 19974 12383 1 15 . 1 1 133 133 ASP C C 133 175.320 175.320 175.019 0.301 19974 12384 1 15 . 1 1 133 133 ASP CA C 133 52.520 52.520 53.222 -0.702 19974 12385 1 15 . 1 1 133 133 ASP CB C 133 38.720 38.720 39.870 -1.150 19974 12386 1 15 . 1 1 133 133 ASP H H 133 7.633 7.633 7.758 -0.125 19974 12387 1 15 . 1 1 134 134 ASP N N 134 119.140 119.140 119.541 -0.401 19974 12388 1 15 . 1 1 134 134 ASP HA H 134 3.989 3.989 4.406 -0.417 19974 12389 1 15 . 1 1 134 134 ASP C C 134 175.500 175.500 176.076 -0.576 19974 12390 1 15 . 1 1 134 134 ASP CA C 134 56.410 56.410 55.233 1.177 19974 12391 1 15 . 1 1 134 134 ASP CB C 134 42.740 42.740 41.556 1.184 19974 12392 1 15 . 1 1 134 134 ASP H H 134 7.251 7.251 7.337 -0.086 19974 12393 1 15 . 1 1 135 135 ILE N N 135 123.230 123.230 120.472 2.758 19974 12394 1 15 . 1 1 135 135 ILE HA H 135 4.301 4.301 4.476 -0.175 19974 12395 1 15 . 1 1 135 135 ILE C C 135 176.300 176.300 175.117 1.183 19974 12396 1 15 . 1 1 135 135 ILE CA C 135 58.640 58.640 59.658 -1.018 19974 12397 1 15 . 1 1 135 135 ILE CB C 135 40.800 40.800 39.158 1.642 19974 12398 1 15 . 1 1 135 135 ILE H H 135 8.351 8.351 8.244 0.107 19974 12399 1 15 . 1 1 136 136 ASP N N 136 131.670 131.670 128.703 2.967 19974 12400 1 15 . 1 1 136 136 ASP HA H 136 5.640 5.640 4.756 0.884 19974 12401 1 15 . 1 1 136 136 ASP C C 136 176.150 176.150 176.263 -0.113 19974 12402 1 15 . 1 1 136 136 ASP CA C 136 52.560 52.560 54.316 -1.756 19974 12403 1 15 . 1 1 136 136 ASP CB C 136 38.180 38.180 40.140 -1.960 19974 12404 1 15 . 1 1 136 136 ASP H H 136 9.036 9.036 8.764 0.272 19974 12405 1 15 . 1 1 137 137 GLU N N 137 125.270 125.270 122.279 2.991 19974 12406 1 15 . 1 1 137 137 GLU HA H 137 3.735 3.735 4.302 -0.567 19974 12407 1 15 . 1 1 137 137 GLU C C 137 176.110 176.110 176.029 0.081 19974 12408 1 15 . 1 1 137 137 GLU CA C 137 59.490 59.490 57.725 1.765 19974 12409 1 15 . 1 1 137 137 GLU CB C 137 32.880 32.880 30.188 2.692 19974 12410 1 15 . 1 1 137 137 GLU H H 137 8.435 8.435 8.612 -0.177 19974 12411 1 15 . 1 1 138 138 LEU N N 138 117.210 117.210 120.480 -3.270 19974 12412 1 15 . 1 1 138 138 LEU HA H 138 4.960 4.960 4.707 0.253 19974 12413 1 15 . 1 1 138 138 LEU C C 138 173.560 173.560 174.800 -1.240 19974 12414 1 15 . 1 1 138 138 LEU CA C 138 50.310 50.310 51.959 -1.649 19974 12415 1 15 . 1 1 138 138 LEU CB C 138 41.350 41.350 43.200 -1.850 19974 12416 1 15 . 1 1 138 138 LEU H H 138 8.308 8.308 7.556 0.752 19974 12417 1 15 . 1 1 139 139 PRO HA H 139 4.335 4.335 4.551 -0.216 19974 12418 1 15 . 1 1 139 139 PRO C C 139 177.700 177.700 175.970 1.730 19974 12419 1 15 . 1 1 139 139 PRO CA C 139 62.550 62.550 62.005 0.545 19974 12420 1 15 . 1 1 139 139 PRO CB C 139 32.520 32.520 33.026 -0.506 19974 12421 1 15 . 1 1 140 140 ASN N N 140 120.930 120.930 116.112 4.818 19974 12422 1 15 . 1 1 140 140 ASN HA H 140 4.730 4.730 4.660 0.070 19974 12423 1 15 . 1 1 140 140 ASN C C 140 174.460 174.460 174.914 -0.454 19974 12424 1 15 . 1 1 140 140 ASN CA C 140 52.790 52.790 53.814 -1.024 19974 12425 1 15 . 1 1 140 140 ASN CB C 140 38.520 38.520 39.199 -0.679 19974 12426 1 15 . 1 1 140 140 ASN H H 140 9.213 9.213 8.606 0.607 19974 12427 1 15 . 1 1 141 141 THR N N 141 107.730 107.730 112.421 -4.691 19974 12428 1 15 . 1 1 141 141 THR HA H 141 3.853 3.853 4.419 -0.566 19974 12429 1 15 . 1 1 141 141 THR C C 141 176.410 176.410 174.635 1.775 19974 12430 1 15 . 1 1 141 141 THR CA C 141 61.560 61.560 61.386 0.174 19974 12431 1 15 . 1 1 141 141 THR CB C 141 69.450 69.450 70.172 -0.722 19974 12432 1 15 . 1 1 141 141 THR H H 141 7.003 7.003 7.425 -0.422 19974 12433 1 15 . 1 1 142 142 ILE N N 142 129.530 129.530 121.477 8.053 19974 12434 1 15 . 1 1 142 142 ILE HA H 142 3.976 3.976 4.161 -0.185 19974 12435 1 15 . 1 1 142 142 ILE C C 142 176.020 176.020 176.168 -0.148 19974 12436 1 15 . 1 1 142 142 ILE CA C 142 62.150 62.150 61.270 0.880 19974 12437 1 15 . 1 1 142 142 ILE CB C 142 37.890 37.890 38.752 -0.862 19974 12438 1 15 . 1 1 142 142 ILE H H 142 9.030 9.030 8.218 0.812 19974 12439 1 15 . 1 1 143 143 SER N N 143 124.630 124.630 122.003 2.627 19974 12440 1 15 . 1 1 143 143 SER HA H 143 4.481 4.481 4.755 -0.274 19974 12441 1 15 . 1 1 143 143 SER C C 143 172.920 172.920 172.141 0.779 19974 12442 1 15 . 1 1 143 143 SER CA C 143 57.120 57.120 56.979 0.141 19974 12443 1 15 . 1 1 143 143 SER CB C 143 60.710 60.710 65.285 -4.575 19974 12444 1 15 . 1 1 143 143 SER H H 143 8.709 8.709 8.380 0.329 19974 12445 1 15 . 1 1 144 144 LYS N N 144 126.170 126.170 125.806 0.364 19974 12446 1 15 . 1 1 144 144 LYS HA H 144 4.954 4.954 4.800 0.154 19974 12447 1 15 . 1 1 144 144 LYS C C 144 175.910 175.910 175.965 -0.055 19974 12448 1 15 . 1 1 144 144 LYS CA C 144 54.580 54.580 54.686 -0.106 19974 12449 1 15 . 1 1 144 144 LYS CB C 144 35.170 35.170 34.537 0.633 19974 12450 1 15 . 1 1 144 144 LYS H H 144 8.043 8.043 8.486 -0.443 19974 12451 1 16 . 1 1 3 3 LYS HA H 3 4.317 4.317 4.508 -0.191 19974 12452 1 16 . 1 1 3 3 LYS C C 3 176.840 176.840 174.700 2.140 19974 12453 1 16 . 1 1 3 3 LYS CA C 3 56.180 56.180 54.833 1.347 19974 12454 1 16 . 1 1 3 3 LYS CB C 3 33.030 33.030 33.485 -0.455 19974 12455 1 16 . 1 1 4 4 ILE N N 4 122.990 122.990 123.421 -0.431 19974 12456 1 16 . 1 1 4 4 ILE HA H 4 3.919 3.919 4.277 -0.358 19974 12457 1 16 . 1 1 4 4 ILE C C 4 176.120 176.120 175.399 0.721 19974 12458 1 16 . 1 1 4 4 ILE CA C 4 61.530 61.530 61.690 -0.160 19974 12459 1 16 . 1 1 4 4 ILE CB C 4 38.040 38.040 38.957 -0.917 19974 12460 1 16 . 1 1 4 4 ILE H H 4 8.391 8.391 8.628 -0.237 19974 12461 1 16 . 1 1 5 5 GLU N N 5 123.430 123.430 129.211 -5.781 19974 12462 1 16 . 1 1 5 5 GLU HA H 5 4.116 4.116 4.166 -0.050 19974 12463 1 16 . 1 1 5 5 GLU C C 5 175.830 175.830 175.462 0.368 19974 12464 1 16 . 1 1 5 5 GLU CA C 5 56.900 56.900 55.338 1.562 19974 12465 1 16 . 1 1 5 5 GLU CB C 5 29.350 29.350 29.891 -0.541 19974 12466 1 16 . 1 1 5 5 GLU H H 5 8.508 8.508 8.691 -0.183 19974 12467 1 16 . 1 1 6 6 GLU N N 6 119.490 119.490 122.787 -3.297 19974 12468 1 16 . 1 1 6 6 GLU HA H 6 4.128 4.128 4.249 -0.121 19974 12469 1 16 . 1 1 6 6 GLU C C 6 176.270 176.270 176.110 0.160 19974 12470 1 16 . 1 1 6 6 GLU CA C 6 55.700 55.700 56.326 -0.626 19974 12471 1 16 . 1 1 6 6 GLU CB C 6 30.190 30.190 28.084 2.106 19974 12472 1 16 . 1 1 6 6 GLU H H 6 7.843 7.843 8.693 -0.850 19974 12473 1 16 . 1 1 7 7 PHE N N 7 121.090 121.090 121.734 -0.644 19974 12474 1 16 . 1 1 7 7 PHE HA H 7 4.284 4.284 4.280 0.004 19974 12475 1 16 . 1 1 7 7 PHE C C 7 174.810 174.810 175.915 -1.105 19974 12476 1 16 . 1 1 7 7 PHE CA C 7 59.660 59.660 60.476 -0.816 19974 12477 1 16 . 1 1 7 7 PHE CB C 7 39.990 39.990 39.550 0.440 19974 12478 1 16 . 1 1 7 7 PHE H H 7 8.092 8.092 7.930 0.162 19974 12479 1 16 . 1 1 8 8 LEU N N 8 116.700 116.700 117.775 -1.075 19974 12480 1 16 . 1 1 8 8 LEU HA H 8 4.792 4.792 4.857 -0.065 19974 12481 1 16 . 1 1 8 8 LEU C C 8 176.940 176.940 176.317 0.623 19974 12482 1 16 . 1 1 8 8 LEU CA C 8 52.730 52.730 52.522 0.208 19974 12483 1 16 . 1 1 8 8 LEU CB C 8 45.650 45.650 45.489 0.161 19974 12484 1 16 . 1 1 8 8 LEU H H 8 7.721 7.721 7.735 -0.014 19974 12485 1 16 . 1 1 9 9 THR N N 9 113.700 113.700 116.172 -2.472 19974 12486 1 16 . 1 1 9 9 THR HA H 9 4.397 4.397 4.223 0.174 19974 12487 1 16 . 1 1 9 9 THR C C 9 175.410 175.410 176.125 -0.715 19974 12488 1 16 . 1 1 9 9 THR CA C 9 60.650 60.650 62.738 -2.088 19974 12489 1 16 . 1 1 9 9 THR CB C 9 70.800 70.800 70.018 0.782 19974 12490 1 16 . 1 1 9 9 THR H H 9 9.224 9.224 8.730 0.494 19974 12491 1 16 . 1 1 10 10 ALA N N 10 123.350 123.350 127.997 -4.647 19974 12492 1 16 . 1 1 10 10 ALA HA H 10 4.036 4.036 3.961 0.075 19974 12493 1 16 . 1 1 10 10 ALA C C 10 181.050 181.050 179.691 1.359 19974 12494 1 16 . 1 1 10 10 ALA CA C 10 55.500 55.500 55.300 0.200 19974 12495 1 16 . 1 1 10 10 ALA CB C 10 17.914 17.914 18.540 -0.626 19974 12496 1 16 . 1 1 10 10 ALA H H 10 8.881 8.881 8.942 -0.061 19974 12497 1 16 . 1 1 11 11 GLU N N 11 117.680 117.680 118.037 -0.357 19974 12498 1 16 . 1 1 11 11 GLU HA H 11 3.949 3.949 4.073 -0.124 19974 12499 1 16 . 1 1 11 11 GLU C C 11 179.500 179.500 178.863 0.637 19974 12500 1 16 . 1 1 11 11 GLU CA C 11 59.490 59.490 59.345 0.145 19974 12501 1 16 . 1 1 11 11 GLU CB C 11 29.120 29.120 29.397 -0.277 19974 12502 1 16 . 1 1 11 11 GLU H H 11 8.460 8.460 8.846 -0.386 19974 12503 1 16 . 1 1 12 12 GLU N N 12 121.860 121.860 119.553 2.307 19974 12504 1 16 . 1 1 12 12 GLU HA H 12 3.818 3.818 4.030 -0.212 19974 12505 1 16 . 1 1 12 12 GLU C C 12 178.130 178.130 179.089 -0.959 19974 12506 1 16 . 1 1 12 12 GLU CA C 12 59.210 59.210 59.335 -0.125 19974 12507 1 16 . 1 1 12 12 GLU CB C 12 30.800 30.800 29.581 1.219 19974 12508 1 16 . 1 1 12 12 GLU H H 12 7.698 7.698 7.936 -0.238 19974 12509 1 16 . 1 1 13 13 GLU N N 13 118.170 118.170 119.607 -1.437 19974 12510 1 16 . 1 1 13 13 GLU HA H 13 3.640 3.640 4.009 -0.369 19974 12511 1 16 . 1 1 13 13 GLU C C 13 178.070 178.070 178.895 -0.825 19974 12512 1 16 . 1 1 13 13 GLU CA C 13 60.539 60.539 59.431 1.107 19974 12513 1 16 . 1 1 13 13 GLU CB C 13 29.130 29.130 29.416 -0.286 19974 12514 1 16 . 1 1 13 13 GLU H H 13 8.493 8.493 7.887 0.606 19974 12515 1 16 . 1 1 14 14 LYS N N 14 117.980 117.980 119.725 -1.745 19974 12516 1 16 . 1 1 14 14 LYS HA H 14 3.887 3.887 3.994 -0.107 19974 12517 1 16 . 1 1 14 14 LYS C C 14 177.420 177.420 178.970 -1.550 19974 12518 1 16 . 1 1 14 14 LYS CA C 14 59.350 59.350 59.451 -0.101 19974 12519 1 16 . 1 1 14 14 LYS CB C 14 32.200 32.200 32.220 -0.020 19974 12520 1 16 . 1 1 14 14 LYS H H 14 7.650 7.650 7.477 0.173 19974 12521 1 16 . 1 1 15 15 ALA N N 15 119.210 119.210 121.532 -2.322 19974 12522 1 16 . 1 1 15 15 ALA HA H 15 4.098 4.098 4.152 -0.054 19974 12523 1 16 . 1 1 15 15 ALA C C 15 180.550 180.550 179.855 0.695 19974 12524 1 16 . 1 1 15 15 ALA CA C 15 54.600 54.600 54.823 -0.223 19974 12525 1 16 . 1 1 15 15 ALA CB C 15 17.790 17.790 18.316 -0.526 19974 12526 1 16 . 1 1 15 15 ALA H H 15 7.362 7.362 7.887 -0.525 19974 12527 1 16 . 1 1 16 16 ILE N N 16 119.990 119.990 119.358 0.632 19974 12528 1 16 . 1 1 16 16 ILE HA H 16 3.493 3.493 3.787 -0.294 19974 12529 1 16 . 1 1 16 16 ILE C C 16 176.510 176.510 177.370 -0.860 19974 12530 1 16 . 1 1 16 16 ILE CA C 16 65.072 65.072 63.935 1.137 19974 12531 1 16 . 1 1 16 16 ILE CB C 16 37.580 37.580 38.432 -0.852 19974 12532 1 16 . 1 1 16 16 ILE H H 16 7.592 7.592 7.608 -0.016 19974 12533 1 16 . 1 1 17 17 VAL N N 17 121.520 121.520 121.719 -0.199 19974 12534 1 16 . 1 1 17 17 VAL HA H 17 3.504 3.504 3.506 -0.002 19974 12535 1 16 . 1 1 17 17 VAL C C 17 178.620 178.620 177.850 0.770 19974 12536 1 16 . 1 1 17 17 VAL CA C 17 67.324 67.324 66.990 0.334 19974 12537 1 16 . 1 1 17 17 VAL CB C 17 31.350 31.350 31.515 -0.164 19974 12538 1 16 . 1 1 17 17 VAL H H 17 8.155 8.155 8.448 -0.293 19974 12539 1 16 . 1 1 18 18 ASP N N 18 120.000 120.000 118.617 1.383 19974 12540 1 16 . 1 1 18 18 ASP HA H 18 4.223 4.223 4.300 -0.077 19974 12541 1 16 . 1 1 18 18 ASP C C 18 177.980 177.980 177.516 0.464 19974 12542 1 16 . 1 1 18 18 ASP CA C 18 57.050 57.050 57.281 -0.231 19974 12543 1 16 . 1 1 18 18 ASP CB C 18 39.410 39.410 40.991 -1.581 19974 12544 1 16 . 1 1 18 18 ASP H H 18 8.605 8.605 8.289 0.316 19974 12545 1 16 . 1 1 19 19 ALA N N 19 122.620 122.620 121.827 0.793 19974 12546 1 16 . 1 1 19 19 ALA HA H 19 4.194 4.194 4.078 0.116 19974 12547 1 16 . 1 1 19 19 ALA C C 19 180.720 180.720 179.738 0.982 19974 12548 1 16 . 1 1 19 19 ALA CA C 19 54.970 54.970 54.815 0.155 19974 12549 1 16 . 1 1 19 19 ALA CB C 19 17.850 17.850 18.584 -0.734 19974 12550 1 16 . 1 1 19 19 ALA H H 19 7.702 7.702 7.354 0.348 19974 12551 1 16 . 1 1 20 20 ILE N N 20 122.620 122.620 118.432 4.188 19974 12552 1 16 . 1 1 20 20 ILE HA H 20 3.309 3.309 3.574 -0.265 19974 12553 1 16 . 1 1 20 20 ILE C C 20 176.740 176.740 178.041 -1.301 19974 12554 1 16 . 1 1 20 20 ILE CA C 20 66.830 66.830 65.150 1.680 19974 12555 1 16 . 1 1 20 20 ILE CB C 20 38.140 38.140 37.590 0.550 19974 12556 1 16 . 1 1 20 20 ILE H H 20 8.234 8.234 7.524 0.710 19974 12557 1 16 . 1 1 21 21 ARG N N 21 119.660 119.660 119.457 0.203 19974 12558 1 16 . 1 1 21 21 ARG HA H 21 3.899 3.899 4.123 -0.224 19974 12559 1 16 . 1 1 21 21 ARG C C 21 179.540 179.540 178.133 1.407 19974 12560 1 16 . 1 1 21 21 ARG CA C 21 58.990 58.990 58.956 0.034 19974 12561 1 16 . 1 1 21 21 ARG CB C 21 29.020 29.020 29.982 -0.962 19974 12562 1 16 . 1 1 21 21 ARG H H 21 8.212 8.212 7.886 0.326 19974 12563 1 16 . 1 1 22 22 ASP N N 22 118.640 118.640 117.664 0.976 19974 12564 1 16 . 1 1 22 22 ASP HA H 22 4.239 4.239 4.594 -0.355 19974 12565 1 16 . 1 1 22 22 ASP C C 22 179.190 179.190 177.525 1.665 19974 12566 1 16 . 1 1 22 22 ASP CA C 22 57.270 57.270 56.229 1.041 19974 12567 1 16 . 1 1 22 22 ASP CB C 22 39.770 39.770 40.426 -0.656 19974 12568 1 16 . 1 1 22 22 ASP H H 22 8.137 8.137 7.855 0.282 19974 12569 1 16 . 1 1 23 23 ALA N N 23 126.120 126.120 124.239 1.881 19974 12570 1 16 . 1 1 23 23 ALA HA H 23 4.207 4.207 4.005 0.202 19974 12571 1 16 . 1 1 23 23 ALA C C 23 181.060 181.060 179.298 1.762 19974 12572 1 16 . 1 1 23 23 ALA CA C 23 55.430 55.430 54.950 0.480 19974 12573 1 16 . 1 1 23 23 ALA CB C 23 18.690 18.690 18.392 0.298 19974 12574 1 16 . 1 1 23 23 ALA H H 23 8.500 8.500 7.776 0.724 19974 12575 1 16 . 1 1 24 24 GLU N N 24 115.460 115.460 116.216 -0.756 19974 12576 1 16 . 1 1 24 24 GLU HA H 24 4.213 4.213 4.108 0.105 19974 12577 1 16 . 1 1 24 24 GLU C C 24 176.390 176.390 177.194 -0.804 19974 12578 1 16 . 1 1 24 24 GLU CA C 24 58.180 58.180 58.613 -0.433 19974 12579 1 16 . 1 1 24 24 GLU CB C 24 28.200 28.200 29.620 -1.420 19974 12580 1 16 . 1 1 24 24 GLU H H 24 8.451 8.451 7.945 0.506 19974 12581 1 16 . 1 1 25 25 LYS N N 25 115.790 115.790 114.711 1.079 19974 12582 1 16 . 1 1 25 25 LYS HA H 25 3.739 3.739 4.183 -0.444 19974 12583 1 16 . 1 1 25 25 LYS C C 25 176.020 176.020 175.600 0.420 19974 12584 1 16 . 1 1 25 25 LYS CA C 25 56.220 56.220 54.984 1.236 19974 12585 1 16 . 1 1 25 25 LYS CB C 25 32.070 32.070 31.656 0.414 19974 12586 1 16 . 1 1 25 25 LYS H H 25 7.083 7.083 7.326 -0.243 19974 12587 1 16 . 1 1 26 26 ASN N N 26 115.060 115.060 117.023 -1.963 19974 12588 1 16 . 1 1 26 26 ASN HA H 26 4.749 4.749 4.824 -0.075 19974 12589 1 16 . 1 1 26 26 ASN C C 26 174.280 174.280 174.198 0.082 19974 12590 1 16 . 1 1 26 26 ASN CA C 26 53.050 53.050 53.963 -0.913 19974 12591 1 16 . 1 1 26 26 ASN CB C 26 40.410 40.410 41.895 -1.485 19974 12592 1 16 . 1 1 26 26 ASN H H 26 7.931 7.931 8.230 -0.299 19974 12593 1 16 . 1 1 27 27 THR N N 27 113.430 113.430 113.589 -0.159 19974 12594 1 16 . 1 1 27 27 THR HA H 27 5.507 5.507 5.056 0.451 19974 12595 1 16 . 1 1 27 27 THR C C 27 170.850 170.850 173.338 -2.488 19974 12596 1 16 . 1 1 27 27 THR CA C 27 57.130 57.130 60.141 -3.011 19974 12597 1 16 . 1 1 27 27 THR CB C 27 70.200 70.200 70.486 -0.286 19974 12598 1 16 . 1 1 27 27 THR H H 27 7.619 7.619 7.810 -0.191 19974 12599 1 16 . 1 1 28 28 SER N N 28 119.450 119.450 120.976 -1.526 19974 12600 1 16 . 1 1 28 28 SER HA H 28 4.773 4.773 4.773 -0.000 19974 12601 1 16 . 1 1 28 28 SER C C 28 176.330 176.330 175.265 1.065 19974 12602 1 16 . 1 1 28 28 SER CA C 28 58.913 58.913 58.825 0.088 19974 12603 1 16 . 1 1 28 28 SER CB C 28 64.360 64.360 63.117 1.243 19974 12604 1 16 . 1 1 28 28 SER H H 28 7.706 7.706 8.918 -1.212 19974 12605 1 16 . 1 1 29 29 GLY N N 29 111.350 111.350 108.874 2.476 19974 12606 1 16 . 1 1 29 29 GLY C C 29 171.210 171.210 173.071 -1.861 19974 12607 1 16 . 1 1 29 29 GLY CA C 29 44.643 44.643 44.661 -0.018 19974 12608 1 16 . 1 1 29 29 GLY H H 29 9.011 9.011 7.557 1.454 19974 12609 1 16 . 1 1 30 30 GLU N N 30 120.620 120.620 118.267 2.353 19974 12610 1 16 . 1 1 30 30 GLU HA H 30 4.867 4.867 4.655 0.212 19974 12611 1 16 . 1 1 30 30 GLU C C 30 174.500 174.500 174.330 0.170 19974 12612 1 16 . 1 1 30 30 GLU CA C 30 54.320 54.320 56.245 -1.925 19974 12613 1 16 . 1 1 30 30 GLU CB C 30 34.030 34.030 32.804 1.226 19974 12614 1 16 . 1 1 30 30 GLU H H 30 6.897 6.897 7.947 -1.050 19974 12615 1 16 . 1 1 31 31 ILE N N 31 121.650 121.650 125.817 -4.167 19974 12616 1 16 . 1 1 31 31 ILE HA H 31 5.171 5.171 4.798 0.373 19974 12617 1 16 . 1 1 31 31 ILE C C 31 175.550 175.550 174.890 0.660 19974 12618 1 16 . 1 1 31 31 ILE CA C 31 59.740 59.740 60.261 -0.521 19974 12619 1 16 . 1 1 31 31 ILE CB C 31 42.520 42.520 39.669 2.851 19974 12620 1 16 . 1 1 31 31 ILE H H 31 8.546 8.546 8.622 -0.076 19974 12621 1 16 . 1 1 32 32 ARG N N 32 121.690 121.690 127.788 -6.098 19974 12622 1 16 . 1 1 32 32 ARG HA H 32 4.951 4.951 4.799 0.152 19974 12623 1 16 . 1 1 32 32 ARG C C 32 173.740 173.740 174.102 -0.362 19974 12624 1 16 . 1 1 32 32 ARG CA C 32 55.220 55.220 53.706 1.514 19974 12625 1 16 . 1 1 32 32 ARG CB C 32 34.720 34.720 34.926 -0.206 19974 12626 1 16 . 1 1 32 32 ARG H H 32 8.751 8.751 9.174 -0.423 19974 12627 1 16 . 1 1 33 33 VAL N N 33 120.770 120.770 122.892 -2.122 19974 12628 1 16 . 1 1 33 33 VAL HA H 33 4.972 4.972 4.657 0.315 19974 12629 1 16 . 1 1 33 33 VAL C C 33 173.790 173.790 173.970 -0.180 19974 12630 1 16 . 1 1 33 33 VAL CA C 33 59.700 59.700 61.200 -1.500 19974 12631 1 16 . 1 1 33 33 VAL CB C 33 34.820 34.820 34.574 0.246 19974 12632 1 16 . 1 1 33 33 VAL H H 33 8.617 8.617 8.625 -0.008 19974 12633 1 16 . 1 1 34 34 HIS N N 34 125.000 125.000 126.983 -1.983 19974 12634 1 16 . 1 1 34 34 HIS HA H 34 5.743 5.743 5.132 0.611 19974 12635 1 16 . 1 1 34 34 HIS C C 34 172.790 172.790 172.953 -0.163 19974 12636 1 16 . 1 1 34 34 HIS CA C 34 54.370 54.370 53.828 0.542 19974 12637 1 16 . 1 1 34 34 HIS CB C 34 36.840 36.840 32.616 4.224 19974 12638 1 16 . 1 1 34 34 HIS H H 34 8.552 8.552 8.989 -0.437 19974 12639 1 16 . 1 1 35 35 LEU N N 35 124.400 124.400 128.333 -3.933 19974 12640 1 16 . 1 1 35 35 LEU HA H 35 4.800 4.800 4.817 -0.017 19974 12641 1 16 . 1 1 35 35 LEU C C 35 174.490 174.490 174.159 0.331 19974 12642 1 16 . 1 1 35 35 LEU CA C 35 52.190 52.190 53.906 -1.716 19974 12643 1 16 . 1 1 35 35 LEU CB C 35 44.880 44.880 44.999 -0.119 19974 12644 1 16 . 1 1 35 35 LEU H H 35 8.006 8.006 8.257 -0.251 19974 12645 1 16 . 1 1 36 36 GLU N N 36 116.112 116.112 123.468 -7.356 19974 12646 1 16 . 1 1 36 36 GLU HA H 36 4.573 4.573 4.549 0.024 19974 12647 1 16 . 1 1 36 36 GLU C C 36 174.350 174.350 175.662 -1.312 19974 12648 1 16 . 1 1 36 36 GLU CA C 36 54.130 54.130 55.047 -0.917 19974 12649 1 16 . 1 1 36 36 GLU CB C 36 31.960 31.960 33.408 -1.448 19974 12650 1 16 . 1 1 36 36 GLU H H 36 8.235 8.235 8.461 -0.226 19974 12651 1 16 . 1 1 37 37 LYS N N 37 121.210 121.210 122.155 -0.945 19974 12652 1 16 . 1 1 37 37 LYS HA H 37 3.731 3.731 4.123 -0.392 19974 12653 1 16 . 1 1 37 37 LYS C C 37 175.200 175.200 176.037 -0.837 19974 12654 1 16 . 1 1 37 37 LYS CA C 37 61.410 61.410 59.862 1.548 19974 12655 1 16 . 1 1 37 37 LYS CB C 37 33.090 33.090 33.475 -0.385 19974 12656 1 16 . 1 1 37 37 LYS H H 37 9.055 9.055 8.920 0.135 19974 12657 1 16 . 1 1 38 38 THR N N 38 107.310 107.310 109.833 -2.523 19974 12658 1 16 . 1 1 38 38 THR HA H 38 4.448 4.448 4.560 -0.112 19974 12659 1 16 . 1 1 38 38 THR C C 38 171.420 171.420 172.591 -1.171 19974 12660 1 16 . 1 1 38 38 THR CA C 38 59.530 59.530 61.231 -1.702 19974 12661 1 16 . 1 1 38 38 THR CB C 38 69.570 69.570 69.441 0.129 19974 12662 1 16 . 1 1 38 38 THR H H 38 7.480 7.480 7.823 -0.343 19974 12663 1 16 . 1 1 39 39 SER N N 39 116.050 116.050 120.792 -4.742 19974 12664 1 16 . 1 1 39 39 SER HA H 39 4.641 4.641 4.883 -0.242 19974 12665 1 16 . 1 1 39 39 SER C C 39 175.590 175.590 174.472 1.118 19974 12666 1 16 . 1 1 39 39 SER CA C 39 57.340 57.340 57.091 0.249 19974 12667 1 16 . 1 1 39 39 SER CB C 39 64.560 64.560 65.161 -0.601 19974 12668 1 16 . 1 1 39 39 SER H H 39 8.177 8.177 8.567 -0.390 19974 12669 1 16 . 1 1 40 40 GLU N N 40 124.630 124.630 122.895 1.735 19974 12670 1 16 . 1 1 40 40 GLU HA H 40 4.118 4.118 4.295 -0.177 19974 12671 1 16 . 1 1 40 40 GLU C C 40 176.520 176.520 177.073 -0.553 19974 12672 1 16 . 1 1 40 40 GLU CA C 40 58.100 58.100 57.435 0.665 19974 12673 1 16 . 1 1 40 40 GLU CB C 40 29.950 29.950 30.123 -0.173 19974 12674 1 16 . 1 1 40 40 GLU H H 40 8.905 8.905 8.635 0.270 19974 12675 1 16 . 1 1 41 41 ILE N N 41 113.290 113.290 113.264 0.026 19974 12676 1 16 . 1 1 41 41 ILE HA H 41 4.460 4.460 4.408 0.052 19974 12677 1 16 . 1 1 41 41 ILE C C 41 175.350 175.350 174.930 0.420 19974 12678 1 16 . 1 1 41 41 ILE CA C 41 59.490 59.490 59.102 0.388 19974 12679 1 16 . 1 1 41 41 ILE CB C 41 40.150 40.150 40.007 0.143 19974 12680 1 16 . 1 1 41 41 ILE H H 41 7.446 7.446 7.410 0.036 19974 12681 1 16 . 1 1 42 42 ASP N N 42 122.230 122.230 121.428 0.802 19974 12682 1 16 . 1 1 42 42 ASP HA H 42 4.280 4.280 4.655 -0.375 19974 12683 1 16 . 1 1 42 42 ASP C C 42 177.430 177.430 177.501 -0.071 19974 12684 1 16 . 1 1 42 42 ASP CA C 42 55.360 55.360 54.694 0.666 19974 12685 1 16 . 1 1 42 42 ASP CB C 42 42.690 42.690 41.121 1.569 19974 12686 1 16 . 1 1 42 42 ASP H H 42 8.271 8.271 8.544 -0.273 19974 12687 1 16 . 1 1 43 43 VAL N N 43 122.150 122.150 122.764 -0.614 19974 12688 1 16 . 1 1 43 43 VAL HA H 43 3.569 3.569 3.500 0.069 19974 12689 1 16 . 1 1 43 43 VAL C C 43 175.780 175.780 176.867 -1.087 19974 12690 1 16 . 1 1 43 43 VAL CA C 43 65.420 65.420 65.606 -0.186 19974 12691 1 16 . 1 1 43 43 VAL CB C 43 31.300 31.300 31.926 -0.626 19974 12692 1 16 . 1 1 43 43 VAL H H 43 8.160 8.160 8.513 -0.353 19974 12693 1 16 . 1 1 44 44 PHE N N 44 121.770 121.770 119.871 1.899 19974 12694 1 16 . 1 1 44 44 PHE HA H 44 3.892 3.892 3.959 -0.067 19974 12695 1 16 . 1 1 44 44 PHE C C 44 177.140 177.140 176.465 0.675 19974 12696 1 16 . 1 1 44 44 PHE CA C 44 62.190 62.190 61.229 0.961 19974 12697 1 16 . 1 1 44 44 PHE CB C 44 38.350 38.350 38.446 -0.096 19974 12698 1 16 . 1 1 44 44 PHE H H 44 8.101 8.101 7.964 0.137 19974 12699 1 16 . 1 1 45 45 ASP N N 45 119.540 119.540 118.508 1.032 19974 12700 1 16 . 1 1 45 45 ASP HA H 45 4.106 4.106 3.951 0.155 19974 12701 1 16 . 1 1 45 45 ASP C C 45 178.380 178.380 178.127 0.253 19974 12702 1 16 . 1 1 45 45 ASP CA C 45 57.010 57.010 57.261 -0.251 19974 12703 1 16 . 1 1 45 45 ASP CB C 45 37.900 37.900 40.446 -2.546 19974 12704 1 16 . 1 1 45 45 ASP H H 45 7.317 7.317 8.321 -1.004 19974 12705 1 16 . 1 1 46 46 ARG N N 46 119.920 119.920 119.729 0.191 19974 12706 1 16 . 1 1 46 46 ARG HA H 46 3.733 3.733 3.786 -0.053 19974 12707 1 16 . 1 1 46 46 ARG C C 46 176.750 176.750 178.024 -1.274 19974 12708 1 16 . 1 1 46 46 ARG CA C 46 57.136 57.136 59.244 -2.108 19974 12709 1 16 . 1 1 46 46 ARG CB C 46 28.590 28.590 30.042 -1.452 19974 12710 1 16 . 1 1 46 46 ARG H H 46 8.246 8.246 8.019 0.227 19974 12711 1 16 . 1 1 47 47 ALA N N 47 120.910 120.910 121.422 -0.512 19974 12712 1 16 . 1 1 47 47 ALA HA H 47 3.048 3.048 3.693 -0.645 19974 12713 1 16 . 1 1 47 47 ALA C C 47 177.810 177.810 178.878 -1.068 19974 12714 1 16 . 1 1 47 47 ALA CA C 47 55.010 55.010 54.752 0.258 19974 12715 1 16 . 1 1 47 47 ALA CB C 47 17.400 17.400 18.109 -0.709 19974 12716 1 16 . 1 1 47 47 ALA H H 47 7.803 7.803 7.936 -0.133 19974 12717 1 16 . 1 1 48 48 MET N N 48 115.800 115.800 118.997 -3.197 19974 12718 1 16 . 1 1 48 48 MET HA H 48 2.568 2.568 3.717 -1.149 19974 12719 1 16 . 1 1 48 48 MET C C 48 177.790 177.790 177.590 0.200 19974 12720 1 16 . 1 1 48 48 MET CA C 48 58.910 58.910 59.159 -0.249 19974 12721 1 16 . 1 1 48 48 MET CB C 48 32.750 32.750 32.086 0.664 19974 12722 1 16 . 1 1 48 48 MET H H 48 7.148 7.148 7.482 -0.334 19974 12723 1 16 . 1 1 49 49 ASP N N 49 121.130 121.130 119.804 1.326 19974 12724 1 16 . 1 1 49 49 ASP HA H 49 4.326 4.326 4.241 0.085 19974 12725 1 16 . 1 1 49 49 ASP C C 49 178.960 178.960 178.652 0.308 19974 12726 1 16 . 1 1 49 49 ASP CA C 49 57.330 57.330 57.739 -0.409 19974 12727 1 16 . 1 1 49 49 ASP CB C 49 40.180 40.180 40.829 -0.649 19974 12728 1 16 . 1 1 49 49 ASP H H 49 7.656 7.656 8.041 -0.385 19974 12729 1 16 . 1 1 50 50 VAL N N 50 122.030 122.030 119.670 2.360 19974 12730 1 16 . 1 1 50 50 VAL HA H 50 3.150 3.150 3.574 -0.424 19974 12731 1 16 . 1 1 50 50 VAL C C 50 176.610 176.610 177.920 -1.310 19974 12732 1 16 . 1 1 50 50 VAL CA C 50 66.980 66.980 66.223 0.757 19974 12733 1 16 . 1 1 50 50 VAL CB C 50 30.450 30.450 31.698 -1.248 19974 12734 1 16 . 1 1 50 50 VAL H H 50 8.506 8.506 8.193 0.313 19974 12735 1 16 . 1 1 51 51 PHE N N 51 120.010 120.010 120.539 -0.529 19974 12736 1 16 . 1 1 51 51 PHE HA H 51 3.701 3.701 4.168 -0.467 19974 12737 1 16 . 1 1 51 51 PHE C C 51 176.990 176.990 177.089 -0.099 19974 12738 1 16 . 1 1 51 51 PHE CA C 51 61.610 61.610 61.444 0.166 19974 12739 1 16 . 1 1 51 51 PHE CB C 51 39.350 39.350 39.272 0.078 19974 12740 1 16 . 1 1 51 51 PHE H H 51 8.236 8.236 8.006 0.230 19974 12741 1 16 . 1 1 52 52 HIS N N 52 114.400 114.400 117.307 -2.907 19974 12742 1 16 . 1 1 52 52 HIS HA H 52 4.322 4.322 4.194 0.128 19974 12743 1 16 . 1 1 52 52 HIS C C 52 179.389 179.389 177.936 1.453 19974 12744 1 16 . 1 1 52 52 HIS CA C 52 59.670 59.670 59.815 -0.145 19974 12745 1 16 . 1 1 52 52 HIS CB C 52 28.380 28.380 29.983 -1.603 19974 12746 1 16 . 1 1 52 52 HIS H H 52 7.595 7.595 8.470 -0.875 19974 12747 1 16 . 1 1 53 53 ASN N N 53 125.300 125.300 117.020 8.280 19974 12748 1 16 . 1 1 53 53 ASN HA H 53 4.346 4.346 4.633 -0.287 19974 12749 1 16 . 1 1 53 53 ASN C C 53 177.560 177.560 176.629 0.931 19974 12750 1 16 . 1 1 53 53 ASN CA C 53 56.260 56.260 54.778 1.482 19974 12751 1 16 . 1 1 53 53 ASN CB C 53 38.020 38.020 38.493 -0.473 19974 12752 1 16 . 1 1 53 53 ASN H H 53 9.216 9.216 8.429 0.787 19974 12753 1 16 . 1 1 54 54 LEU N N 54 117.070 117.070 117.882 -0.812 19974 12754 1 16 . 1 1 54 54 LEU HA H 54 4.114 4.114 4.303 -0.189 19974 12755 1 16 . 1 1 54 54 LEU C C 54 175.780 175.780 176.243 -0.463 19974 12756 1 16 . 1 1 54 54 LEU CA C 54 54.400 54.400 54.991 -0.591 19974 12757 1 16 . 1 1 54 54 LEU CB C 54 42.810 42.810 42.317 0.493 19974 12758 1 16 . 1 1 54 54 LEU H H 54 8.270 8.270 7.704 0.566 19974 12759 1 16 . 1 1 55 55 LYS N N 55 116.580 116.580 115.160 1.420 19974 12760 1 16 . 1 1 55 55 LYS HA H 55 3.954 3.954 3.736 0.218 19974 12761 1 16 . 1 1 55 55 LYS C C 55 177.650 177.650 177.161 0.489 19974 12762 1 16 . 1 1 55 55 LYS CA C 55 56.630 56.630 57.087 -0.457 19974 12763 1 16 . 1 1 55 55 LYS CB C 55 28.110 28.110 29.691 -1.581 19974 12764 1 16 . 1 1 55 55 LYS H H 55 7.953 7.953 7.412 0.541 19974 12765 1 16 . 1 1 56 56 MET N N 56 114.460 114.460 116.996 -2.536 19974 12766 1 16 . 1 1 56 56 MET HA H 56 3.624 3.624 3.953 -0.329 19974 12767 1 16 . 1 1 56 56 MET C C 56 174.010 174.010 176.809 -2.799 19974 12768 1 16 . 1 1 56 56 MET CA C 56 56.800 56.800 59.167 -2.367 19974 12769 1 16 . 1 1 56 56 MET CB C 56 28.620 28.620 31.868 -3.248 19974 12770 1 16 . 1 1 56 56 MET H H 56 7.496 7.496 7.263 0.233 19974 12771 1 16 . 1 1 57 57 ASP N N 57 113.610 113.610 119.227 -5.617 19974 12772 1 16 . 1 1 57 57 ASP HA H 57 4.490 4.490 4.516 -0.026 19974 12773 1 16 . 1 1 57 57 ASP C C 57 176.060 176.060 177.781 -1.721 19974 12774 1 16 . 1 1 57 57 ASP CA C 57 53.030 53.030 55.871 -2.841 19974 12775 1 16 . 1 1 57 57 ASP CB C 57 38.940 38.940 39.782 -0.842 19974 12776 1 16 . 1 1 57 57 ASP H H 57 8.921 8.921 8.174 0.747 19974 12777 1 16 . 1 1 58 58 ASN N N 58 119.880 119.880 118.377 1.503 19974 12778 1 16 . 1 1 58 58 ASN HA H 58 4.885 4.885 4.679 0.206 19974 12779 1 16 . 1 1 58 58 ASN C C 58 174.060 174.060 174.382 -0.322 19974 12780 1 16 . 1 1 58 58 ASN CA C 58 52.190 52.190 53.048 -0.858 19974 12781 1 16 . 1 1 58 58 ASN CB C 58 37.230 37.230 37.172 0.058 19974 12782 1 16 . 1 1 58 58 ASN H H 58 7.070 7.070 7.646 -0.576 19974 12783 1 16 . 1 1 59 59 THR N N 59 108.570 108.570 115.277 -6.707 19974 12784 1 16 . 1 1 59 59 THR HA H 59 4.449 4.449 4.514 -0.065 19974 12785 1 16 . 1 1 59 59 THR C C 59 175.810 175.810 174.701 1.109 19974 12786 1 16 . 1 1 59 59 THR CA C 59 59.600 59.600 61.016 -1.416 19974 12787 1 16 . 1 1 59 59 THR CB C 59 70.900 70.900 70.912 -0.012 19974 12788 1 16 . 1 1 59 59 THR H H 59 7.636 7.636 7.839 -0.203 19974 12789 1 16 . 1 1 60 60 LYS N N 60 126.400 126.400 129.398 -2.998 19974 12790 1 16 . 1 1 60 60 LYS HA H 60 3.923 3.923 4.069 -0.146 19974 12791 1 16 . 1 1 60 60 LYS C C 60 179.030 179.030 176.687 2.343 19974 12792 1 16 . 1 1 60 60 LYS CA C 60 59.600 59.600 59.090 0.510 19974 12793 1 16 . 1 1 60 60 LYS CB C 60 32.480 32.480 32.401 0.078 19974 12794 1 16 . 1 1 60 60 LYS H H 60 10.322 10.322 9.057 1.265 19974 12795 1 16 . 1 1 61 61 LEU N N 61 114.780 114.780 117.219 -2.439 19974 12796 1 16 . 1 1 61 61 LEU HA H 61 4.430 4.430 4.526 -0.096 19974 12797 1 16 . 1 1 61 61 LEU C C 61 175.660 175.660 175.796 -0.136 19974 12798 1 16 . 1 1 61 61 LEU CA C 61 52.830 52.830 54.060 -1.230 19974 12799 1 16 . 1 1 61 61 LEU CB C 61 40.470 40.470 42.024 -1.554 19974 12800 1 16 . 1 1 61 61 LEU H H 61 8.555 8.555 7.821 0.734 19974 12801 1 16 . 1 1 62 62 GLN N N 62 116.490 116.490 115.313 1.177 19974 12802 1 16 . 1 1 62 62 GLN HA H 62 3.715 3.715 3.991 -0.276 19974 12803 1 16 . 1 1 62 62 GLN C C 62 175.060 175.060 174.821 0.239 19974 12804 1 16 . 1 1 62 62 GLN CA C 62 56.440 56.440 56.711 -0.271 19974 12805 1 16 . 1 1 62 62 GLN CB C 62 26.480 26.480 26.648 -0.168 19974 12806 1 16 . 1 1 62 62 GLN H H 62 7.526 7.526 7.872 -0.346 19974 12807 1 16 . 1 1 63 63 ASN N N 63 114.760 114.760 114.843 -0.083 19974 12808 1 16 . 1 1 63 63 ASN HA H 63 4.352 4.352 4.721 -0.369 19974 12809 1 16 . 1 1 63 63 ASN C C 63 173.790 173.790 174.914 -1.124 19974 12810 1 16 . 1 1 63 63 ASN CA C 63 50.680 50.680 52.592 -1.912 19974 12811 1 16 . 1 1 63 63 ASN CB C 63 35.110 35.110 38.357 -3.247 19974 12812 1 16 . 1 1 63 63 ASN H H 63 8.243 8.243 8.239 0.004 19974 12813 1 16 . 1 1 64 64 GLY N N 64 105.820 105.820 107.673 -1.853 19974 12814 1 16 . 1 1 64 64 GLY C C 64 172.650 172.650 172.821 -0.171 19974 12815 1 16 . 1 1 64 64 GLY CA C 64 44.136 44.136 44.757 -0.621 19974 12816 1 16 . 1 1 64 64 GLY H H 64 8.618 8.618 7.776 0.842 19974 12817 1 16 . 1 1 65 65 VAL N N 65 120.490 120.490 126.018 -5.528 19974 12818 1 16 . 1 1 65 65 VAL HA H 65 4.814 4.814 4.239 0.575 19974 12819 1 16 . 1 1 65 65 VAL C C 65 172.610 172.610 174.033 -1.423 19974 12820 1 16 . 1 1 65 65 VAL CA C 65 60.890 60.890 61.499 -0.609 19974 12821 1 16 . 1 1 65 65 VAL CB C 65 35.570 35.570 34.313 1.257 19974 12822 1 16 . 1 1 65 65 VAL H H 65 9.053 9.053 9.257 -0.204 19974 12823 1 16 . 1 1 66 66 LEU N N 66 127.740 127.740 128.812 -1.072 19974 12824 1 16 . 1 1 66 66 LEU HA H 66 5.097 5.097 5.381 -0.284 19974 12825 1 16 . 1 1 66 66 LEU C C 66 175.120 175.120 174.910 0.210 19974 12826 1 16 . 1 1 66 66 LEU CA C 66 51.870 51.870 53.310 -1.440 19974 12827 1 16 . 1 1 66 66 LEU CB C 66 47.520 47.520 46.151 1.369 19974 12828 1 16 . 1 1 66 66 LEU H H 66 9.245 9.245 8.810 0.435 19974 12829 1 16 . 1 1 67 67 ILE N N 67 126.030 126.030 127.879 -1.849 19974 12830 1 16 . 1 1 67 67 ILE HA H 67 4.484 4.484 4.508 -0.024 19974 12831 1 16 . 1 1 67 67 ILE C C 67 173.290 173.290 174.830 -1.540 19974 12832 1 16 . 1 1 67 67 ILE CA C 67 61.090 61.090 60.720 0.370 19974 12833 1 16 . 1 1 67 67 ILE CB C 67 37.480 37.480 37.762 -0.282 19974 12834 1 16 . 1 1 67 67 ILE H H 67 8.974 8.974 9.108 -0.134 19974 12835 1 16 . 1 1 68 68 TYR N N 68 129.400 129.400 130.115 -0.715 19974 12836 1 16 . 1 1 68 68 TYR HA H 68 4.887 4.887 5.173 -0.286 19974 12837 1 16 . 1 1 68 68 TYR C C 68 174.140 174.140 174.036 0.104 19974 12838 1 16 . 1 1 68 68 TYR CA C 68 56.990 56.990 57.476 -0.486 19974 12839 1 16 . 1 1 68 68 TYR CB C 68 40.790 40.790 39.749 1.041 19974 12840 1 16 . 1 1 68 68 TYR H H 68 8.999 8.999 8.729 0.270 19974 12841 1 16 . 1 1 69 69 VAL N N 69 126.790 126.790 128.200 -1.410 19974 12842 1 16 . 1 1 69 69 VAL HA H 69 4.401 4.401 4.638 -0.237 19974 12843 1 16 . 1 1 69 69 VAL C C 69 172.350 172.350 173.608 -1.258 19974 12844 1 16 . 1 1 69 69 VAL CA C 69 60.810 60.810 60.662 0.148 19974 12845 1 16 . 1 1 69 69 VAL CB C 69 34.360 34.360 35.495 -1.135 19974 12846 1 16 . 1 1 69 69 VAL H H 69 8.378 8.378 8.812 -0.434 19974 12847 1 16 . 1 1 70 70 ALA N N 70 129.770 129.770 129.838 -0.068 19974 12848 1 16 . 1 1 70 70 ALA HA H 70 4.592 4.592 5.246 -0.654 19974 12849 1 16 . 1 1 70 70 ALA C C 70 177.620 177.620 178.039 -0.419 19974 12850 1 16 . 1 1 70 70 ALA CA C 70 49.210 49.210 49.902 -0.692 19974 12851 1 16 . 1 1 70 70 ALA CB C 70 17.470 17.470 19.185 -1.715 19974 12852 1 16 . 1 1 70 70 ALA H H 70 8.078 8.078 8.939 -0.861 19974 12853 1 16 . 1 1 71 71 VAL N N 71 120.880 120.880 119.774 1.106 19974 12854 1 16 . 1 1 71 71 VAL HA H 71 2.847 2.847 3.605 -0.758 19974 12855 1 16 . 1 1 71 71 VAL C C 71 178.310 178.310 176.776 1.534 19974 12856 1 16 . 1 1 71 71 VAL CA C 71 66.030 66.030 64.540 1.490 19974 12857 1 16 . 1 1 71 71 VAL CB C 71 32.110 32.110 31.293 0.817 19974 12858 1 16 . 1 1 71 71 VAL H H 71 8.597 8.597 8.502 0.095 19974 12859 1 16 . 1 1 72 72 GLU N N 72 119.350 119.350 121.230 -1.880 19974 12860 1 16 . 1 1 72 72 GLU HA H 72 3.955 3.955 4.295 -0.340 19974 12861 1 16 . 1 1 72 72 GLU C C 72 177.650 177.650 177.636 0.014 19974 12862 1 16 . 1 1 72 72 GLU CA C 72 59.260 59.260 58.553 0.707 19974 12863 1 16 . 1 1 72 72 GLU CB C 72 28.940 28.940 29.963 -1.023 19974 12864 1 16 . 1 1 72 72 GLU H H 72 9.107 9.107 8.032 1.075 19974 12865 1 16 . 1 1 73 73 ASP N N 73 115.250 115.250 117.344 -2.094 19974 12866 1 16 . 1 1 73 73 ASP HA H 73 4.544 4.544 4.730 -0.186 19974 12867 1 16 . 1 1 73 73 ASP C C 73 175.460 175.460 175.791 -0.331 19974 12868 1 16 . 1 1 73 73 ASP CA C 73 54.030 54.030 54.121 -0.091 19974 12869 1 16 . 1 1 73 73 ASP CB C 73 41.350 41.350 41.656 -0.306 19974 12870 1 16 . 1 1 73 73 ASP H H 73 7.039 7.039 7.552 -0.513 19974 12871 1 16 . 1 1 74 74 LYS N N 74 115.850 115.850 117.859 -2.009 19974 12872 1 16 . 1 1 74 74 LYS HA H 74 3.502 3.502 3.852 -0.350 19974 12873 1 16 . 1 1 74 74 LYS C C 74 174.920 174.920 175.700 -0.780 19974 12874 1 16 . 1 1 74 74 LYS CA C 74 57.180 57.180 57.555 -0.375 19974 12875 1 16 . 1 1 74 74 LYS CB C 74 29.100 29.100 31.101 -2.001 19974 12876 1 16 . 1 1 74 74 LYS H H 74 8.012 8.012 8.242 -0.230 19974 12877 1 16 . 1 1 75 75 THR N N 75 111.710 111.710 108.823 2.887 19974 12878 1 16 . 1 1 75 75 THR HA H 75 4.725 4.725 4.903 -0.178 19974 12879 1 16 . 1 1 75 75 THR C C 75 172.150 172.150 172.844 -0.694 19974 12880 1 16 . 1 1 75 75 THR CA C 75 60.740 60.740 60.094 0.646 19974 12881 1 16 . 1 1 75 75 THR CB C 75 70.900 70.900 71.392 -0.492 19974 12882 1 16 . 1 1 75 75 THR H H 75 7.763 7.763 7.660 0.103 19974 12883 1 16 . 1 1 76 76 PHE N N 76 117.220 117.220 116.852 0.368 19974 12884 1 16 . 1 1 76 76 PHE HA H 76 5.968 5.968 5.668 0.300 19974 12885 1 16 . 1 1 76 76 PHE C C 76 173.250 173.250 173.383 -0.133 19974 12886 1 16 . 1 1 76 76 PHE CA C 76 54.920 54.920 56.028 -1.108 19974 12887 1 16 . 1 1 76 76 PHE CB C 76 42.780 42.780 41.765 1.015 19974 12888 1 16 . 1 1 76 76 PHE H H 76 7.992 7.992 8.102 -0.110 19974 12889 1 16 . 1 1 77 77 VAL N N 77 120.030 120.030 120.932 -0.902 19974 12890 1 16 . 1 1 77 77 VAL HA H 77 4.015 4.015 4.516 -0.501 19974 12891 1 16 . 1 1 77 77 VAL C C 77 173.310 173.310 174.332 -1.022 19974 12892 1 16 . 1 1 77 77 VAL CA C 77 60.840 60.840 61.034 -0.194 19974 12893 1 16 . 1 1 77 77 VAL CB C 77 37.410 37.410 35.927 1.483 19974 12894 1 16 . 1 1 77 77 VAL H H 77 9.447 9.447 9.296 0.151 19974 12895 1 16 . 1 1 78 78 ILE N N 78 125.240 125.240 123.397 1.843 19974 12896 1 16 . 1 1 78 78 ILE HA H 78 4.433 4.433 5.015 -0.582 19974 12897 1 16 . 1 1 78 78 ILE C C 78 174.090 174.090 175.104 -1.014 19974 12898 1 16 . 1 1 78 78 ILE CA C 78 60.081 60.081 60.227 -0.146 19974 12899 1 16 . 1 1 78 78 ILE CB C 78 38.340 38.340 39.883 -1.544 19974 12900 1 16 . 1 1 78 78 ILE H H 78 8.155 8.155 8.310 -0.155 19974 12901 1 16 . 1 1 79 79 TYR N N 79 130.130 130.130 128.440 1.690 19974 12902 1 16 . 1 1 79 79 TYR HA H 79 4.422 4.422 4.760 -0.338 19974 12903 1 16 . 1 1 79 79 TYR C C 79 172.740 172.740 173.651 -0.911 19974 12904 1 16 . 1 1 79 79 TYR CA C 79 57.390 57.390 57.501 -0.111 19974 12905 1 16 . 1 1 79 79 TYR CB C 79 40.820 40.820 42.525 -1.705 19974 12906 1 16 . 1 1 79 79 TYR H H 79 9.328 9.328 9.167 0.161 19974 12907 1 16 . 1 1 80 80 GLY N N 80 114.140 114.140 113.200 0.940 19974 12908 1 16 . 1 1 80 80 GLY C C 80 171.090 171.090 172.715 -1.625 19974 12909 1 16 . 1 1 80 80 GLY CA C 80 42.860 42.860 43.194 -0.334 19974 12910 1 16 . 1 1 80 80 GLY H H 80 7.837 7.837 7.832 0.005 19974 12911 1 16 . 1 1 81 81 ASP N N 81 115.660 115.660 119.898 -4.238 19974 12912 1 16 . 1 1 81 81 ASP HA H 81 4.248 4.248 4.656 -0.408 19974 12913 1 16 . 1 1 81 81 ASP C C 81 176.980 176.980 178.297 -1.317 19974 12914 1 16 . 1 1 81 81 ASP CA C 81 51.950 51.950 53.668 -1.718 19974 12915 1 16 . 1 1 81 81 ASP CB C 81 41.260 41.260 43.092 -1.832 19974 12916 1 16 . 1 1 81 81 ASP H H 81 7.633 7.633 8.526 -0.893 19974 12917 1 16 . 1 1 82 82 LYS N N 82 120.470 120.470 122.843 -2.373 19974 12918 1 16 . 1 1 82 82 LYS HA H 82 3.764 3.764 3.980 -0.216 19974 12919 1 16 . 1 1 82 82 LYS C C 82 176.350 176.350 178.537 -2.187 19974 12920 1 16 . 1 1 82 82 LYS CA C 82 59.290 59.290 59.467 -0.177 19974 12921 1 16 . 1 1 82 82 LYS CB C 82 33.720 33.720 32.459 1.261 19974 12922 1 16 . 1 1 82 82 LYS H H 82 9.212 9.212 8.596 0.616 19974 12923 1 16 . 1 1 83 83 GLY N N 83 105.260 105.260 106.748 -1.488 19974 12924 1 16 . 1 1 83 83 GLY C C 83 176.540 176.540 175.473 1.067 19974 12925 1 16 . 1 1 83 83 GLY CA C 83 46.260 46.260 46.737 -0.477 19974 12926 1 16 . 1 1 83 83 GLY H H 83 8.367 8.367 7.929 0.438 19974 12927 1 16 . 1 1 84 84 ILE N N 84 117.510 117.510 121.361 -3.851 19974 12928 1 16 . 1 1 84 84 ILE HA H 84 3.644 3.644 3.837 -0.193 19974 12929 1 16 . 1 1 84 84 ILE C C 84 177.010 177.010 177.473 -0.463 19974 12930 1 16 . 1 1 84 84 ILE CA C 84 63.636 63.636 64.789 -1.153 19974 12931 1 16 . 1 1 84 84 ILE CB C 84 38.820 38.820 38.193 0.627 19974 12932 1 16 . 1 1 84 84 ILE H H 84 7.040 7.040 7.757 -0.717 19974 12933 1 16 . 1 1 85 85 ASN N N 85 117.400 117.400 117.384 0.016 19974 12934 1 16 . 1 1 85 85 ASN HA H 85 4.115 4.115 4.519 -0.404 19974 12935 1 16 . 1 1 85 85 ASN C C 85 176.600 176.600 176.746 -0.146 19974 12936 1 16 . 1 1 85 85 ASN CA C 85 55.840 55.840 55.477 0.363 19974 12937 1 16 . 1 1 85 85 ASN CB C 85 37.720 37.720 37.886 -0.166 19974 12938 1 16 . 1 1 85 85 ASN H H 85 7.351 7.351 7.777 -0.426 19974 12939 1 16 . 1 1 86 86 ASP N N 86 115.890 115.890 117.975 -2.085 19974 12940 1 16 . 1 1 86 86 ASP HA H 86 4.391 4.391 4.694 -0.303 19974 12941 1 16 . 1 1 86 86 ASP C C 86 177.240 177.240 176.969 0.271 19974 12942 1 16 . 1 1 86 86 ASP CA C 86 56.260 56.260 55.912 0.348 19974 12943 1 16 . 1 1 86 86 ASP CB C 86 41.200 41.200 41.149 0.051 19974 12944 1 16 . 1 1 86 86 ASP H H 86 8.377 8.377 8.331 0.046 19974 12945 1 16 . 1 1 87 87 VAL N N 87 109.640 109.640 117.933 -8.293 19974 12946 1 16 . 1 1 87 87 VAL HA H 87 4.473 4.473 4.206 0.267 19974 12947 1 16 . 1 1 87 87 VAL C C 87 175.780 175.780 174.970 0.810 19974 12948 1 16 . 1 1 87 87 VAL CA C 87 61.320 61.320 62.696 -1.376 19974 12949 1 16 . 1 1 87 87 VAL CB C 87 34.170 34.170 33.464 0.706 19974 12950 1 16 . 1 1 87 87 VAL H H 87 7.196 7.196 7.665 -0.469 19974 12951 1 16 . 1 1 88 88 VAL N N 88 113.200 113.200 111.029 2.171 19974 12952 1 16 . 1 1 88 88 VAL HA H 88 3.789 3.789 4.332 -0.543 19974 12953 1 16 . 1 1 88 88 VAL C C 88 175.760 175.760 174.046 1.714 19974 12954 1 16 . 1 1 88 88 VAL CA C 88 60.640 60.640 59.244 1.396 19974 12955 1 16 . 1 1 88 88 VAL CB C 88 32.970 32.970 34.096 -1.126 19974 12956 1 16 . 1 1 88 88 VAL H H 88 6.921 6.921 7.609 -0.688 19974 12957 1 16 . 1 1 89 89 SER N N 89 114.460 114.460 115.857 -1.397 19974 12958 1 16 . 1 1 89 89 SER HA H 89 4.546 4.546 4.868 -0.322 19974 12959 1 16 . 1 1 89 89 SER C C 89 175.720 175.720 175.169 0.551 19974 12960 1 16 . 1 1 89 89 SER CA C 89 57.330 57.330 56.331 0.999 19974 12961 1 16 . 1 1 89 89 SER CB C 89 64.500 64.500 65.997 -1.497 19974 12962 1 16 . 1 1 89 89 SER H H 89 7.738 7.738 8.415 -0.677 19974 12963 1 16 . 1 1 90 90 ASP N N 90 120.250 120.250 123.482 -3.232 19974 12964 1 16 . 1 1 90 90 ASP HA H 90 4.361 4.361 4.394 -0.032 19974 12965 1 16 . 1 1 90 90 ASP C C 90 176.630 176.630 178.226 -1.596 19974 12966 1 16 . 1 1 90 90 ASP CA C 90 57.050 57.050 57.301 -0.251 19974 12967 1 16 . 1 1 90 90 ASP CB C 90 40.540 40.540 40.575 -0.035 19974 12968 1 16 . 1 1 90 90 ASP H H 90 8.687 8.687 8.919 -0.232 19974 12969 1 16 . 1 1 91 91 ASP N N 91 116.800 116.800 118.269 -1.469 19974 12970 1 16 . 1 1 91 91 ASP HA H 91 4.605 4.605 4.659 -0.054 19974 12971 1 16 . 1 1 91 91 ASP C C 91 177.610 177.610 178.534 -0.924 19974 12972 1 16 . 1 1 91 91 ASP CA C 91 52.890 52.890 56.852 -3.962 19974 12973 1 16 . 1 1 91 91 ASP CB C 91 40.230 40.230 40.580 -0.350 19974 12974 1 16 . 1 1 91 91 ASP H H 91 8.250 8.250 8.614 -0.364 19974 12975 1 16 . 1 1 92 92 PHE N N 92 122.130 122.130 120.374 1.756 19974 12976 1 16 . 1 1 92 92 PHE HA H 92 3.857 3.857 4.350 -0.493 19974 12977 1 16 . 1 1 92 92 PHE C C 92 177.040 177.040 176.902 0.138 19974 12978 1 16 . 1 1 92 92 PHE CA C 92 61.910 61.910 60.883 1.027 19974 12979 1 16 . 1 1 92 92 PHE CB C 92 40.696 40.696 39.395 1.301 19974 12980 1 16 . 1 1 92 92 PHE H H 92 7.564 7.564 8.024 -0.460 19974 12981 1 16 . 1 1 93 93 TRP N N 93 113.980 113.980 117.986 -4.006 19974 12982 1 16 . 1 1 93 93 TRP HA H 93 4.726 4.726 4.549 0.177 19974 12983 1 16 . 1 1 93 93 TRP C C 93 176.420 176.420 177.752 -1.332 19974 12984 1 16 . 1 1 93 93 TRP CA C 93 56.020 56.020 59.429 -3.409 19974 12985 1 16 . 1 1 93 93 TRP CB C 93 29.990 29.990 29.410 0.580 19974 12986 1 16 . 1 1 93 93 TRP H H 93 8.532 8.532 7.580 0.952 19974 12987 1 16 . 1 1 94 94 ASP N N 94 122.120 122.120 120.450 1.670 19974 12988 1 16 . 1 1 94 94 ASP HA H 94 4.228 4.228 4.436 -0.208 19974 12989 1 16 . 1 1 94 94 ASP C C 94 178.550 178.550 178.723 -0.173 19974 12990 1 16 . 1 1 94 94 ASP CA C 94 59.120 59.120 58.033 1.087 19974 12991 1 16 . 1 1 94 94 ASP CB C 94 39.140 39.140 40.333 -1.193 19974 12992 1 16 . 1 1 94 94 ASP H H 94 7.904 7.904 8.441 -0.537 19974 12993 1 16 . 1 1 95 95 THR N N 95 111.200 111.200 115.476 -4.276 19974 12994 1 16 . 1 1 95 95 THR HA H 95 4.004 4.004 4.001 0.003 19974 12995 1 16 . 1 1 95 95 THR C C 95 177.630 177.630 176.332 1.298 19974 12996 1 16 . 1 1 95 95 THR CA C 95 65.560 65.560 66.953 -1.393 19974 12997 1 16 . 1 1 95 95 THR CB C 95 68.230 68.230 68.553 -0.323 19974 12998 1 16 . 1 1 95 95 THR H H 95 8.559 8.559 7.790 0.769 19974 12999 1 16 . 1 1 96 96 THR N N 96 123.230 123.230 118.959 4.271 19974 13000 1 16 . 1 1 96 96 THR HA H 96 3.725 3.725 3.851 -0.126 19974 13001 1 16 . 1 1 96 96 THR C C 96 175.410 175.410 176.614 -1.204 19974 13002 1 16 . 1 1 96 96 THR CA C 96 68.286 68.286 66.885 1.401 19974 13003 1 16 . 1 1 96 96 THR CB C 96 68.200 68.200 68.394 -0.194 19974 13004 1 16 . 1 1 96 96 THR H H 96 7.991 7.991 7.489 0.502 19974 13005 1 16 . 1 1 97 97 ARG N N 97 119.960 119.960 121.028 -1.068 19974 13006 1 16 . 1 1 97 97 ARG HA H 97 3.829 3.829 4.014 -0.185 19974 13007 1 16 . 1 1 97 97 ARG C C 97 178.320 178.320 178.585 -0.265 19974 13008 1 16 . 1 1 97 97 ARG CA C 97 60.390 60.390 60.114 0.277 19974 13009 1 16 . 1 1 97 97 ARG CB C 97 29.870 29.870 30.203 -0.333 19974 13010 1 16 . 1 1 97 97 ARG H H 97 8.825 8.825 8.072 0.753 19974 13011 1 16 . 1 1 98 98 ASN N N 98 115.680 115.680 118.594 -2.914 19974 13012 1 16 . 1 1 98 98 ASN HA H 98 4.390 4.390 4.670 -0.280 19974 13013 1 16 . 1 1 98 98 ASN C C 98 176.620 176.620 177.569 -0.949 19974 13014 1 16 . 1 1 98 98 ASN CA C 98 56.050 56.050 56.222 -0.173 19974 13015 1 16 . 1 1 98 98 ASN CB C 98 38.220 38.220 38.499 -0.279 19974 13016 1 16 . 1 1 98 98 ASN H H 98 8.508 8.508 8.532 -0.024 19974 13017 1 16 . 1 1 99 99 ALA N N 99 120.830 120.830 123.113 -2.283 19974 13018 1 16 . 1 1 99 99 ALA HA H 99 4.020 4.020 3.977 0.043 19974 13019 1 16 . 1 1 99 99 ALA C C 99 179.800 179.800 179.320 0.480 19974 13020 1 16 . 1 1 99 99 ALA CA C 99 54.770 54.770 55.103 -0.333 19974 13021 1 16 . 1 1 99 99 ALA CB C 99 18.110 18.110 18.592 -0.482 19974 13022 1 16 . 1 1 99 99 ALA H H 99 7.447 7.447 8.061 -0.614 19974 13023 1 16 . 1 1 100 100 ILE N N 100 116.240 116.240 119.265 -3.025 19974 13024 1 16 . 1 1 100 100 ILE HA H 100 3.203 3.203 3.420 -0.217 19974 13025 1 16 . 1 1 100 100 ILE C C 100 178.050 178.050 177.521 0.529 19974 13026 1 16 . 1 1 100 100 ILE CA C 100 64.550 64.550 65.360 -0.810 19974 13027 1 16 . 1 1 100 100 ILE CB C 100 37.640 37.640 37.303 0.337 19974 13028 1 16 . 1 1 100 100 ILE H H 100 7.339 7.339 7.611 -0.272 19974 13029 1 16 . 1 1 101 101 GLN N N 101 118.750 118.750 119.808 -1.058 19974 13030 1 16 . 1 1 101 101 GLN HA H 101 3.917 3.917 3.983 -0.066 19974 13031 1 16 . 1 1 101 101 GLN C C 101 177.870 177.870 178.608 -0.738 19974 13032 1 16 . 1 1 101 101 GLN CA C 101 59.200 59.200 59.464 -0.264 19974 13033 1 16 . 1 1 101 101 GLN CB C 101 28.860 28.860 28.903 -0.043 19974 13034 1 16 . 1 1 101 101 GLN H H 101 8.359 8.359 8.272 0.087 19974 13035 1 16 . 1 1 102 102 LEU N N 102 117.790 117.790 117.665 0.125 19974 13036 1 16 . 1 1 102 102 LEU HA H 102 3.951 3.951 4.280 -0.329 19974 13037 1 16 . 1 1 102 102 LEU C C 102 179.550 179.550 179.511 0.039 19974 13038 1 16 . 1 1 102 102 LEU CA C 102 58.190 58.190 57.634 0.556 19974 13039 1 16 . 1 1 102 102 LEU CB C 102 42.320 42.320 41.289 1.031 19974 13040 1 16 . 1 1 102 102 LEU H H 102 8.119 8.119 8.228 -0.109 19974 13041 1 16 . 1 1 103 103 GLN N N 103 113.650 113.650 119.101 -5.451 19974 13042 1 16 . 1 1 103 103 GLN HA H 103 4.426 4.426 4.180 0.246 19974 13043 1 16 . 1 1 103 103 GLN C C 103 179.680 179.680 178.955 0.725 19974 13044 1 16 . 1 1 103 103 GLN CA C 103 56.550 56.550 58.281 -1.731 19974 13045 1 16 . 1 1 103 103 GLN CB C 103 27.480 27.480 28.654 -1.174 19974 13046 1 16 . 1 1 103 103 GLN H H 103 6.636 6.636 7.684 -1.048 19974 13047 1 16 . 1 1 104 104 PHE N N 104 123.740 123.740 120.944 2.796 19974 13048 1 16 . 1 1 104 104 PHE HA H 104 3.895 3.895 4.346 -0.451 19974 13049 1 16 . 1 1 104 104 PHE C C 104 180.130 180.130 177.739 2.391 19974 13050 1 16 . 1 1 104 104 PHE CA C 104 59.760 59.760 61.718 -1.958 19974 13051 1 16 . 1 1 104 104 PHE CB C 104 36.620 36.620 38.828 -2.208 19974 13052 1 16 . 1 1 104 104 PHE H H 104 9.161 9.161 9.047 0.114 19974 13053 1 16 . 1 1 105 105 LYS N N 105 119.280 119.280 118.555 0.725 19974 13054 1 16 . 1 1 105 105 LYS HA H 105 4.126 4.126 4.057 0.069 19974 13055 1 16 . 1 1 105 105 LYS C C 105 177.290 177.290 178.685 -1.395 19974 13056 1 16 . 1 1 105 105 LYS CA C 105 58.913 58.913 59.199 -0.286 19974 13057 1 16 . 1 1 105 105 LYS CB C 105 31.920 31.920 32.234 -0.314 19974 13058 1 16 . 1 1 105 105 LYS H H 105 8.519 8.519 8.186 0.333 19974 13059 1 16 . 1 1 106 106 GLN N N 106 114.530 114.530 115.830 -1.300 19974 13060 1 16 . 1 1 106 106 GLN HA H 106 4.415 4.415 4.226 0.189 19974 13061 1 16 . 1 1 106 106 GLN C C 106 175.450 175.450 177.295 -1.845 19974 13062 1 16 . 1 1 106 106 GLN CA C 106 54.850 54.850 57.531 -2.681 19974 13063 1 16 . 1 1 106 106 GLN CB C 106 30.010 30.010 29.844 0.166 19974 13064 1 16 . 1 1 106 106 GLN H H 106 6.934 6.934 7.562 -0.628 19974 13065 1 16 . 1 1 107 107 GLY N N 107 106.800 106.800 105.057 1.743 19974 13066 1 16 . 1 1 107 107 GLY C C 107 173.140 173.140 173.706 -0.566 19974 13067 1 16 . 1 1 107 107 GLY CA C 107 44.930 44.930 44.422 0.508 19974 13068 1 16 . 1 1 107 107 GLY H H 107 7.722 7.722 8.335 -0.613 19974 13069 1 16 . 1 1 108 108 ASN N N 108 120.230 120.230 121.165 -0.935 19974 13070 1 16 . 1 1 108 108 ASN HA H 108 4.827 4.827 4.884 -0.057 19974 13071 1 16 . 1 1 108 108 ASN C C 108 174.820 174.820 175.042 -0.222 19974 13072 1 16 . 1 1 108 108 ASN CA C 108 50.520 50.520 50.016 0.504 19974 13073 1 16 . 1 1 108 108 ASN CB C 108 37.090 37.090 37.152 -0.062 19974 13074 1 16 . 1 1 108 108 ASN H H 108 7.654 7.654 8.107 -0.453 19974 13075 1 16 . 1 1 109 109 PHE N N 109 122.130 122.130 122.560 -0.430 19974 13076 1 16 . 1 1 109 109 PHE HA H 109 4.038 4.038 3.332 0.706 19974 13077 1 16 . 1 1 109 109 PHE C C 109 177.270 177.270 177.477 -0.207 19974 13078 1 16 . 1 1 109 109 PHE CA C 109 60.670 60.670 60.351 0.319 19974 13079 1 16 . 1 1 109 109 PHE CB C 109 38.220 38.220 37.903 0.317 19974 13080 1 16 . 1 1 109 109 PHE H H 109 7.231 7.231 6.822 0.409 19974 13081 1 16 . 1 1 110 110 LYS N N 110 118.670 118.670 119.927 -1.257 19974 13082 1 16 . 1 1 110 110 LYS HA H 110 3.610 3.610 3.860 -0.250 19974 13083 1 16 . 1 1 110 110 LYS C C 110 177.680 177.680 178.564 -0.884 19974 13084 1 16 . 1 1 110 110 LYS CA C 110 60.050 60.050 60.203 -0.153 19974 13085 1 16 . 1 1 110 110 LYS CB C 110 29.680 29.680 31.636 -1.956 19974 13086 1 16 . 1 1 110 110 LYS H H 110 8.727 8.727 8.461 0.266 19974 13087 1 16 . 1 1 111 111 GLN N N 111 117.980 117.980 118.942 -0.962 19974 13088 1 16 . 1 1 111 111 GLN HA H 111 3.491 3.491 4.074 -0.583 19974 13089 1 16 . 1 1 111 111 GLN C C 111 177.640 177.640 178.189 -0.549 19974 13090 1 16 . 1 1 111 111 GLN CA C 111 57.530 57.530 58.907 -1.377 19974 13091 1 16 . 1 1 111 111 GLN CB C 111 28.460 28.460 28.051 0.409 19974 13092 1 16 . 1 1 111 111 GLN H H 111 8.442 8.442 8.368 0.074 19974 13093 1 16 . 1 1 112 112 GLY N N 112 103.740 103.740 107.544 -3.804 19974 13094 1 16 . 1 1 112 112 GLY C C 112 173.970 173.970 176.447 -2.477 19974 13095 1 16 . 1 1 112 112 GLY CA C 112 48.730 48.730 46.989 1.741 19974 13096 1 16 . 1 1 112 112 GLY H H 112 8.196 8.196 8.288 -0.092 19974 13097 1 16 . 1 1 113 113 LEU N N 113 119.640 119.640 123.209 -3.569 19974 13098 1 16 . 1 1 113 113 LEU HA H 113 3.868 3.868 3.954 -0.086 19974 13099 1 16 . 1 1 113 113 LEU C C 113 177.480 177.480 178.864 -1.384 19974 13100 1 16 . 1 1 113 113 LEU CA C 113 58.150 58.150 57.905 0.245 19974 13101 1 16 . 1 1 113 113 LEU CB C 113 41.920 41.920 42.047 -0.127 19974 13102 1 16 . 1 1 113 113 LEU H H 113 7.614 7.614 8.161 -0.547 19974 13103 1 16 . 1 1 114 114 VAL N N 114 118.510 118.510 120.265 -1.755 19974 13104 1 16 . 1 1 114 114 VAL HA H 114 3.269 3.269 3.490 -0.221 19974 13105 1 16 . 1 1 114 114 VAL C C 114 177.330 177.330 177.960 -0.630 19974 13106 1 16 . 1 1 114 114 VAL CA C 114 67.787 67.787 67.352 0.435 19974 13107 1 16 . 1 1 114 114 VAL CB C 114 31.600 31.600 31.534 0.066 19974 13108 1 16 . 1 1 114 114 VAL H H 114 8.284 8.284 8.687 -0.403 19974 13109 1 16 . 1 1 115 115 ASP N N 115 119.440 119.440 119.293 0.147 19974 13110 1 16 . 1 1 115 115 ASP HA H 115 4.261 4.261 4.433 -0.172 19974 13111 1 16 . 1 1 115 115 ASP C C 115 179.840 179.840 178.869 0.971 19974 13112 1 16 . 1 1 115 115 ASP CA C 115 56.950 56.950 57.029 -0.079 19974 13113 1 16 . 1 1 115 115 ASP CB C 115 39.840 39.840 40.074 -0.234 19974 13114 1 16 . 1 1 115 115 ASP H H 115 8.724 8.724 8.671 0.053 19974 13115 1 16 . 1 1 116 116 GLY N N 116 107.280 107.280 108.830 -1.550 19974 13116 1 16 . 1 1 116 116 GLY C C 116 174.130 174.130 176.153 -2.023 19974 13117 1 16 . 1 1 116 116 GLY CA C 116 47.190 47.190 46.891 0.299 19974 13118 1 16 . 1 1 116 116 GLY H H 116 8.370 8.370 7.911 0.459 19974 13119 1 16 . 1 1 117 117 ILE N N 117 123.350 123.350 122.539 0.811 19974 13120 1 16 . 1 1 117 117 ILE HA H 117 3.307 3.307 3.550 -0.243 19974 13121 1 16 . 1 1 117 117 ILE C C 117 176.750 176.750 177.358 -0.608 19974 13122 1 16 . 1 1 117 117 ILE CA C 117 66.168 66.168 65.490 0.678 19974 13123 1 16 . 1 1 117 117 ILE CB C 117 37.760 37.760 37.896 -0.136 19974 13124 1 16 . 1 1 117 117 ILE H H 117 8.573 8.573 8.412 0.161 19974 13125 1 16 . 1 1 118 118 GLU N N 118 119.220 119.220 120.644 -1.424 19974 13126 1 16 . 1 1 118 118 GLU HA H 118 4.003 4.003 3.821 0.182 19974 13127 1 16 . 1 1 118 118 GLU C C 118 180.600 180.600 178.727 1.873 19974 13128 1 16 . 1 1 118 118 GLU CA C 118 59.472 59.472 60.109 -0.637 19974 13129 1 16 . 1 1 118 118 GLU CB C 118 29.310 29.310 29.505 -0.195 19974 13130 1 16 . 1 1 118 118 GLU H H 118 7.998 7.998 8.495 -0.497 19974 13131 1 16 . 1 1 119 119 LYS N N 119 118.270 118.270 118.698 -0.428 19974 13132 1 16 . 1 1 119 119 LYS HA H 119 3.897 3.897 4.046 -0.149 19974 13133 1 16 . 1 1 119 119 LYS C C 119 179.040 179.040 178.927 0.113 19974 13134 1 16 . 1 1 119 119 LYS CA C 119 58.090 58.090 59.263 -1.173 19974 13135 1 16 . 1 1 119 119 LYS CB C 119 31.340 31.340 32.287 -0.947 19974 13136 1 16 . 1 1 119 119 LYS H H 119 7.846 7.846 7.782 0.064 19974 13137 1 16 . 1 1 120 120 ALA N N 120 125.280 125.280 122.625 2.655 19974 13138 1 16 . 1 1 120 120 ALA HA H 120 4.195 4.195 3.962 0.233 19974 13139 1 16 . 1 1 120 120 ALA C C 120 180.230 180.230 179.359 0.871 19974 13140 1 16 . 1 1 120 120 ALA CA C 120 55.040 55.040 54.944 0.096 19974 13141 1 16 . 1 1 120 120 ALA CB C 120 17.380 17.380 18.310 -0.930 19974 13142 1 16 . 1 1 120 120 ALA H H 120 9.092 9.092 7.839 1.253 19974 13143 1 16 . 1 1 121 121 GLY N N 121 104.130 104.130 106.812 -2.682 19974 13144 1 16 . 1 1 121 121 GLY C C 121 174.930 174.930 176.435 -1.505 19974 13145 1 16 . 1 1 121 121 GLY CA C 121 47.590 47.590 47.002 0.588 19974 13146 1 16 . 1 1 121 121 GLY H H 121 8.606 8.606 8.526 0.080 19974 13147 1 16 . 1 1 122 122 MET N N 122 117.000 117.000 121.503 -4.503 19974 13148 1 16 . 1 1 122 122 MET HA H 122 4.183 4.183 4.003 0.180 19974 13149 1 16 . 1 1 122 122 MET C C 122 178.500 178.500 178.452 0.048 19974 13150 1 16 . 1 1 122 122 MET CA C 122 57.470 57.470 59.404 -1.934 19974 13151 1 16 . 1 1 122 122 MET CB C 122 32.200 32.200 32.612 -0.412 19974 13152 1 16 . 1 1 122 122 MET H H 122 7.284 7.284 8.233 -0.949 19974 13153 1 16 . 1 1 123 123 ALA N N 123 124.060 124.060 121.719 2.341 19974 13154 1 16 . 1 1 123 123 ALA HA H 123 4.076 4.076 4.285 -0.209 19974 13155 1 16 . 1 1 123 123 ALA C C 123 180.880 180.880 180.090 0.790 19974 13156 1 16 . 1 1 123 123 ALA CA C 123 54.760 54.760 54.851 -0.091 19974 13157 1 16 . 1 1 123 123 ALA CB C 123 17.590 17.590 18.346 -0.756 19974 13158 1 16 . 1 1 123 123 ALA H H 123 8.308 8.308 7.811 0.497 19974 13159 1 16 . 1 1 124 124 LEU N N 124 117.060 117.060 119.331 -2.271 19974 13160 1 16 . 1 1 124 124 LEU HA H 124 4.270 4.270 4.315 -0.045 19974 13161 1 16 . 1 1 124 124 LEU C C 124 179.170 179.170 179.241 -0.071 19974 13162 1 16 . 1 1 124 124 LEU CA C 124 57.840 57.840 57.986 -0.146 19974 13163 1 16 . 1 1 124 124 LEU CB C 124 42.920 42.920 41.900 1.020 19974 13164 1 16 . 1 1 124 124 LEU H H 124 8.871 8.871 8.825 0.046 19974 13165 1 16 . 1 1 125 125 ALA N N 125 120.950 120.950 120.144 0.806 19974 13166 1 16 . 1 1 125 125 ALA HA H 125 3.956 3.956 4.511 -0.555 19974 13167 1 16 . 1 1 125 125 ALA C C 125 177.740 177.740 178.968 -1.228 19974 13168 1 16 . 1 1 125 125 ALA CA C 125 55.220 55.220 54.488 0.732 19974 13169 1 16 . 1 1 125 125 ALA CB C 125 19.180 19.180 18.439 0.741 19974 13170 1 16 . 1 1 125 125 ALA H H 125 7.829 7.829 8.177 -0.348 19974 13171 1 16 . 1 1 126 126 LYS N N 126 113.320 113.320 118.685 -5.365 19974 13172 1 16 . 1 1 126 126 LYS HA H 126 3.798 3.798 4.041 -0.243 19974 13173 1 16 . 1 1 126 126 LYS C C 126 176.550 176.550 178.116 -1.566 19974 13174 1 16 . 1 1 126 126 LYS CA C 126 58.490 58.490 58.953 -0.463 19974 13175 1 16 . 1 1 126 126 LYS CB C 126 32.620 32.620 32.465 0.155 19974 13176 1 16 . 1 1 126 126 LYS H H 126 6.971 6.971 7.704 -0.733 19974 13177 1 16 . 1 1 127 127 TYR N N 127 113.850 113.850 115.651 -1.801 19974 13178 1 16 . 1 1 127 127 TYR HA H 127 4.067 4.067 4.131 -0.064 19974 13179 1 16 . 1 1 127 127 TYR C C 127 174.390 174.390 176.119 -1.729 19974 13180 1 16 . 1 1 127 127 TYR CA C 127 58.770 58.770 59.980 -1.210 19974 13181 1 16 . 1 1 127 127 TYR CB C 127 41.930 41.930 39.132 2.798 19974 13182 1 16 . 1 1 127 127 TYR H H 127 6.817 6.817 7.694 -0.877 19974 13183 1 16 . 1 1 128 128 PHE N N 128 116.130 116.130 116.670 -0.540 19974 13184 1 16 . 1 1 128 128 PHE HA H 128 4.907 4.907 5.033 -0.126 19974 13185 1 16 . 1 1 128 128 PHE C C 128 172.450 172.450 173.852 -1.402 19974 13186 1 16 . 1 1 128 128 PHE CA C 128 55.003 55.003 54.769 0.234 19974 13187 1 16 . 1 1 128 128 PHE CB C 128 38.550 38.550 39.313 -0.763 19974 13188 1 16 . 1 1 128 128 PHE H H 128 8.688 8.688 8.442 0.246 19974 13189 1 16 . 1 1 129 129 PRO HA H 129 4.680 4.680 4.572 0.108 19974 13190 1 16 . 1 1 129 129 PRO C C 129 175.720 175.720 176.754 -1.034 19974 13191 1 16 . 1 1 129 129 PRO CA C 129 63.382 63.382 62.746 0.636 19974 13192 1 16 . 1 1 129 129 PRO CB C 129 31.810 31.810 32.170 -0.360 19974 13193 1 16 . 1 1 130 130 TRP N N 130 123.170 123.170 127.988 -4.818 19974 13194 1 16 . 1 1 130 130 TRP HA H 130 4.031 4.031 4.519 -0.488 19974 13195 1 16 . 1 1 130 130 TRP C C 130 175.310 175.310 175.746 -0.436 19974 13196 1 16 . 1 1 130 130 TRP CA C 130 59.510 59.510 58.777 0.733 19974 13197 1 16 . 1 1 130 130 TRP CB C 130 29.300 29.300 30.181 -0.881 19974 13198 1 16 . 1 1 130 130 TRP H H 130 7.910 7.910 8.600 -0.690 19974 13199 1 16 . 1 1 131 131 LYS N N 131 127.060 127.060 127.029 0.031 19974 13200 1 16 . 1 1 131 131 LYS HA H 131 4.260 4.260 4.341 -0.081 19974 13201 1 16 . 1 1 131 131 LYS C C 131 174.450 174.450 176.603 -2.153 19974 13202 1 16 . 1 1 131 131 LYS CA C 131 53.240 53.240 54.574 -1.334 19974 13203 1 16 . 1 1 131 131 LYS CB C 131 35.250 35.250 34.214 1.036 19974 13204 1 16 . 1 1 131 131 LYS H H 131 8.097 8.097 7.707 0.390 19974 13205 1 16 . 1 1 132 132 LYS N N 132 116.250 116.250 122.037 -5.787 19974 13206 1 16 . 1 1 132 132 LYS HA H 132 3.398 3.398 3.432 -0.034 19974 13207 1 16 . 1 1 132 132 LYS C C 132 176.550 176.550 176.417 0.133 19974 13208 1 16 . 1 1 132 132 LYS CA C 132 58.140 58.140 58.109 0.031 19974 13209 1 16 . 1 1 132 132 LYS CB C 132 31.880 31.880 32.286 -0.406 19974 13210 1 16 . 1 1 132 132 LYS H H 132 7.761 7.761 8.596 -0.835 19974 13211 1 16 . 1 1 133 133 ASP N N 133 116.600 116.600 118.004 -1.404 19974 13212 1 16 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.660 -0.309 19974 13213 1 16 . 1 1 133 133 ASP C C 133 175.320 175.320 175.342 -0.022 19974 13214 1 16 . 1 1 133 133 ASP CA C 133 52.520 52.520 53.517 -0.996 19974 13215 1 16 . 1 1 133 133 ASP CB C 133 38.720 38.720 40.442 -1.722 19974 13216 1 16 . 1 1 133 133 ASP H H 133 7.633 7.633 7.852 -0.219 19974 13217 1 16 . 1 1 134 134 ASP N N 134 119.140 119.140 121.616 -2.476 19974 13218 1 16 . 1 1 134 134 ASP HA H 134 3.989 3.989 4.442 -0.453 19974 13219 1 16 . 1 1 134 134 ASP C C 134 175.500 175.500 175.932 -0.432 19974 13220 1 16 . 1 1 134 134 ASP CA C 134 56.410 56.410 54.678 1.732 19974 13221 1 16 . 1 1 134 134 ASP CB C 134 42.740 42.740 41.885 0.855 19974 13222 1 16 . 1 1 134 134 ASP H H 134 7.251 7.251 7.418 -0.167 19974 13223 1 16 . 1 1 135 135 ILE N N 135 123.230 123.230 120.205 3.025 19974 13224 1 16 . 1 1 135 135 ILE HA H 135 4.301 4.301 4.491 -0.190 19974 13225 1 16 . 1 1 135 135 ILE C C 135 176.300 176.300 174.700 1.600 19974 13226 1 16 . 1 1 135 135 ILE CA C 135 58.640 58.640 59.782 -1.142 19974 13227 1 16 . 1 1 135 135 ILE CB C 135 40.800 40.800 39.460 1.340 19974 13228 1 16 . 1 1 135 135 ILE H H 135 8.351 8.351 8.174 0.177 19974 13229 1 16 . 1 1 136 136 ASP N N 136 131.670 131.670 125.950 5.720 19974 13230 1 16 . 1 1 136 136 ASP HA H 136 5.640 5.640 4.857 0.783 19974 13231 1 16 . 1 1 136 136 ASP C C 136 176.150 176.150 176.018 0.132 19974 13232 1 16 . 1 1 136 136 ASP CA C 136 52.560 52.560 53.676 -1.116 19974 13233 1 16 . 1 1 136 136 ASP CB C 136 38.180 38.180 40.888 -2.708 19974 13234 1 16 . 1 1 136 136 ASP H H 136 9.036 9.036 8.663 0.373 19974 13235 1 16 . 1 1 137 137 GLU N N 137 125.270 125.270 121.426 3.844 19974 13236 1 16 . 1 1 137 137 GLU HA H 137 3.735 3.735 4.341 -0.606 19974 13237 1 16 . 1 1 137 137 GLU C C 137 176.110 176.110 176.364 -0.254 19974 13238 1 16 . 1 1 137 137 GLU CA C 137 59.490 59.490 56.378 3.112 19974 13239 1 16 . 1 1 137 137 GLU CB C 137 32.880 32.880 29.916 2.963 19974 13240 1 16 . 1 1 137 137 GLU H H 137 8.435 8.435 8.881 -0.446 19974 13241 1 16 . 1 1 138 138 LEU N N 138 117.210 117.210 123.924 -6.714 19974 13242 1 16 . 1 1 138 138 LEU HA H 138 4.960 4.960 4.565 0.395 19974 13243 1 16 . 1 1 138 138 LEU C C 138 173.560 173.560 175.217 -1.657 19974 13244 1 16 . 1 1 138 138 LEU CA C 138 50.310 50.310 52.776 -2.466 19974 13245 1 16 . 1 1 138 138 LEU CB C 138 41.350 41.350 42.420 -1.071 19974 13246 1 16 . 1 1 138 138 LEU H H 138 8.308 8.308 7.693 0.615 19974 13247 1 16 . 1 1 139 139 PRO HA H 139 4.335 4.335 4.618 -0.283 19974 13248 1 16 . 1 1 139 139 PRO C C 139 177.700 177.700 176.122 1.578 19974 13249 1 16 . 1 1 139 139 PRO CA C 139 62.550 62.550 62.209 0.341 19974 13250 1 16 . 1 1 139 139 PRO CB C 139 32.520 32.520 33.526 -1.006 19974 13251 1 16 . 1 1 140 140 ASN N N 140 120.930 120.930 118.768 2.162 19974 13252 1 16 . 1 1 140 140 ASN HA H 140 4.730 4.730 4.556 0.174 19974 13253 1 16 . 1 1 140 140 ASN C C 140 174.460 174.460 175.242 -0.782 19974 13254 1 16 . 1 1 140 140 ASN CA C 140 52.790 52.790 54.247 -1.457 19974 13255 1 16 . 1 1 140 140 ASN CB C 140 38.520 38.520 38.883 -0.362 19974 13256 1 16 . 1 1 140 140 ASN H H 140 9.213 9.213 8.707 0.506 19974 13257 1 16 . 1 1 141 141 THR N N 141 107.730 107.730 115.232 -7.502 19974 13258 1 16 . 1 1 141 141 THR HA H 141 3.853 3.853 4.182 -0.329 19974 13259 1 16 . 1 1 141 141 THR C C 141 176.410 176.410 173.859 2.551 19974 13260 1 16 . 1 1 141 141 THR CA C 141 61.560 61.560 61.892 -0.332 19974 13261 1 16 . 1 1 141 141 THR CB C 141 69.450 69.450 69.891 -0.441 19974 13262 1 16 . 1 1 141 141 THR H H 141 7.003 7.003 7.448 -0.445 19974 13263 1 16 . 1 1 142 142 ILE N N 142 129.530 129.530 126.316 3.214 19974 13264 1 16 . 1 1 142 142 ILE HA H 142 3.976 3.976 4.154 -0.178 19974 13265 1 16 . 1 1 142 142 ILE C C 142 176.020 176.020 175.507 0.513 19974 13266 1 16 . 1 1 142 142 ILE CA C 142 62.150 62.150 61.573 0.577 19974 13267 1 16 . 1 1 142 142 ILE CB C 142 37.890 37.890 38.321 -0.431 19974 13268 1 16 . 1 1 142 142 ILE H H 142 9.030 9.030 8.497 0.533 19974 13269 1 16 . 1 1 143 143 SER N N 143 124.630 124.630 122.895 1.735 19974 13270 1 16 . 1 1 143 143 SER HA H 143 4.481 4.481 4.679 -0.198 19974 13271 1 16 . 1 1 143 143 SER C C 143 172.920 172.920 173.047 -0.127 19974 13272 1 16 . 1 1 143 143 SER CA C 143 57.120 57.120 58.278 -1.158 19974 13273 1 16 . 1 1 143 143 SER CB C 143 60.710 60.710 64.359 -3.649 19974 13274 1 16 . 1 1 143 143 SER H H 143 8.709 8.709 8.655 0.054 19974 13275 1 16 . 1 1 144 144 LYS N N 144 126.170 126.170 122.041 4.129 19974 13276 1 16 . 1 1 144 144 LYS HA H 144 4.954 4.954 4.812 0.142 19974 13277 1 16 . 1 1 144 144 LYS C C 144 175.910 175.910 175.439 0.471 19974 13278 1 16 . 1 1 144 144 LYS CA C 144 54.580 54.580 54.952 -0.372 19974 13279 1 16 . 1 1 144 144 LYS CB C 144 35.170 35.170 37.149 -1.979 19974 13280 1 16 . 1 1 144 144 LYS H H 144 8.043 8.043 8.332 -0.289 19974 13281 1 17 . 1 1 3 3 LYS HA H 3 4.317 4.317 4.485 -0.168 19974 13282 1 17 . 1 1 3 3 LYS C C 3 176.840 176.840 175.446 1.394 19974 13283 1 17 . 1 1 3 3 LYS CA C 3 56.180 56.180 55.728 0.452 19974 13284 1 17 . 1 1 3 3 LYS CB C 3 33.030 33.030 34.707 -1.677 19974 13285 1 17 . 1 1 4 4 ILE N N 4 122.990 122.990 119.688 3.302 19974 13286 1 17 . 1 1 4 4 ILE HA H 4 3.919 3.919 4.133 -0.214 19974 13287 1 17 . 1 1 4 4 ILE C C 4 176.120 176.120 176.478 -0.358 19974 13288 1 17 . 1 1 4 4 ILE CA C 4 61.530 61.530 61.462 0.068 19974 13289 1 17 . 1 1 4 4 ILE CB C 4 38.040 38.040 38.658 -0.618 19974 13290 1 17 . 1 1 4 4 ILE H H 4 8.391 8.391 8.500 -0.109 19974 13291 1 17 . 1 1 5 5 GLU N N 5 123.430 123.430 120.876 2.554 19974 13292 1 17 . 1 1 5 5 GLU HA H 5 4.116 4.116 4.001 0.115 19974 13293 1 17 . 1 1 5 5 GLU C C 5 175.830 175.830 176.867 -1.037 19974 13294 1 17 . 1 1 5 5 GLU CA C 5 56.900 56.900 57.791 -0.891 19974 13295 1 17 . 1 1 5 5 GLU CB C 5 29.350 29.350 29.847 -0.497 19974 13296 1 17 . 1 1 5 5 GLU H H 5 8.508 8.508 8.205 0.303 19974 13297 1 17 . 1 1 6 6 GLU N N 6 119.490 119.490 117.986 1.504 19974 13298 1 17 . 1 1 6 6 GLU HA H 6 4.128 4.128 4.279 -0.151 19974 13299 1 17 . 1 1 6 6 GLU C C 6 176.270 176.270 175.578 0.692 19974 13300 1 17 . 1 1 6 6 GLU CA C 6 55.700 55.700 55.094 0.606 19974 13301 1 17 . 1 1 6 6 GLU CB C 6 30.190 30.190 30.132 0.058 19974 13302 1 17 . 1 1 6 6 GLU H H 6 7.843 7.843 7.690 0.153 19974 13303 1 17 . 1 1 7 7 PHE N N 7 121.090 121.090 123.932 -2.842 19974 13304 1 17 . 1 1 7 7 PHE HA H 7 4.284 4.284 4.478 -0.194 19974 13305 1 17 . 1 1 7 7 PHE C C 7 174.810 174.810 175.635 -0.825 19974 13306 1 17 . 1 1 7 7 PHE CA C 7 59.660 59.660 58.953 0.707 19974 13307 1 17 . 1 1 7 7 PHE CB C 7 39.990 39.990 39.927 0.063 19974 13308 1 17 . 1 1 7 7 PHE H H 7 8.092 8.092 8.622 -0.530 19974 13309 1 17 . 1 1 8 8 LEU N N 8 116.700 116.700 117.996 -1.296 19974 13310 1 17 . 1 1 8 8 LEU HA H 8 4.792 4.792 4.633 0.159 19974 13311 1 17 . 1 1 8 8 LEU C C 8 176.940 176.940 175.925 1.015 19974 13312 1 17 . 1 1 8 8 LEU CA C 8 52.730 52.730 52.961 -0.231 19974 13313 1 17 . 1 1 8 8 LEU CB C 8 45.650 45.650 45.168 0.482 19974 13314 1 17 . 1 1 8 8 LEU H H 8 7.721 7.721 7.720 0.001 19974 13315 1 17 . 1 1 9 9 THR N N 9 113.700 113.700 116.374 -2.674 19974 13316 1 17 . 1 1 9 9 THR HA H 9 4.397 4.397 4.330 0.067 19974 13317 1 17 . 1 1 9 9 THR C C 9 175.410 175.410 176.339 -0.929 19974 13318 1 17 . 1 1 9 9 THR CA C 9 60.650 60.650 62.886 -2.236 19974 13319 1 17 . 1 1 9 9 THR CB C 9 70.800 70.800 69.802 0.998 19974 13320 1 17 . 1 1 9 9 THR H H 9 9.224 9.224 8.267 0.957 19974 13321 1 17 . 1 1 10 10 ALA N N 10 123.350 123.350 126.392 -3.042 19974 13322 1 17 . 1 1 10 10 ALA HA H 10 4.036 4.036 3.917 0.119 19974 13323 1 17 . 1 1 10 10 ALA C C 10 181.050 181.050 178.980 2.070 19974 13324 1 17 . 1 1 10 10 ALA CA C 10 55.500 55.500 55.465 0.035 19974 13325 1 17 . 1 1 10 10 ALA CB C 10 17.914 17.914 18.604 -0.690 19974 13326 1 17 . 1 1 10 10 ALA H H 10 8.881 8.881 8.940 -0.059 19974 13327 1 17 . 1 1 11 11 GLU N N 11 117.680 117.680 119.222 -1.542 19974 13328 1 17 . 1 1 11 11 GLU HA H 11 3.949 3.949 3.964 -0.015 19974 13329 1 17 . 1 1 11 11 GLU C C 11 179.500 179.500 178.943 0.557 19974 13330 1 17 . 1 1 11 11 GLU CA C 11 59.490 59.490 59.529 -0.039 19974 13331 1 17 . 1 1 11 11 GLU CB C 11 29.120 29.120 29.152 -0.032 19974 13332 1 17 . 1 1 11 11 GLU H H 11 8.460 8.460 8.586 -0.126 19974 13333 1 17 . 1 1 12 12 GLU N N 12 121.860 121.860 118.506 3.354 19974 13334 1 17 . 1 1 12 12 GLU HA H 12 3.818 3.818 4.147 -0.329 19974 13335 1 17 . 1 1 12 12 GLU C C 12 178.130 178.130 179.116 -0.986 19974 13336 1 17 . 1 1 12 12 GLU CA C 12 59.210 59.210 58.982 0.228 19974 13337 1 17 . 1 1 12 12 GLU CB C 12 30.800 30.800 29.858 0.942 19974 13338 1 17 . 1 1 12 12 GLU H H 12 7.698 7.698 8.093 -0.395 19974 13339 1 17 . 1 1 13 13 GLU N N 13 118.170 118.170 120.462 -2.292 19974 13340 1 17 . 1 1 13 13 GLU HA H 13 3.640 3.640 4.047 -0.407 19974 13341 1 17 . 1 1 13 13 GLU C C 13 178.070 178.070 179.103 -1.033 19974 13342 1 17 . 1 1 13 13 GLU CA C 13 60.539 60.539 59.482 1.057 19974 13343 1 17 . 1 1 13 13 GLU CB C 13 29.130 29.130 29.608 -0.478 19974 13344 1 17 . 1 1 13 13 GLU H H 13 8.493 8.493 8.074 0.419 19974 13345 1 17 . 1 1 14 14 LYS N N 14 117.980 117.980 118.893 -0.913 19974 13346 1 17 . 1 1 14 14 LYS HA H 14 3.887 3.887 4.027 -0.140 19974 13347 1 17 . 1 1 14 14 LYS C C 14 177.420 177.420 178.834 -1.414 19974 13348 1 17 . 1 1 14 14 LYS CA C 14 59.350 59.350 59.089 0.261 19974 13349 1 17 . 1 1 14 14 LYS CB C 14 32.200 32.200 31.921 0.280 19974 13350 1 17 . 1 1 14 14 LYS H H 14 7.650 7.650 8.580 -0.930 19974 13351 1 17 . 1 1 15 15 ALA N N 15 119.210 119.210 121.974 -2.764 19974 13352 1 17 . 1 1 15 15 ALA HA H 15 4.098 4.098 4.069 0.029 19974 13353 1 17 . 1 1 15 15 ALA C C 15 180.550 180.550 179.746 0.804 19974 13354 1 17 . 1 1 15 15 ALA CA C 15 54.600 54.600 55.101 -0.501 19974 13355 1 17 . 1 1 15 15 ALA CB C 15 17.790 17.790 18.246 -0.456 19974 13356 1 17 . 1 1 15 15 ALA H H 15 7.362 7.362 7.515 -0.153 19974 13357 1 17 . 1 1 16 16 ILE N N 16 119.990 119.990 119.146 0.844 19974 13358 1 17 . 1 1 16 16 ILE HA H 16 3.493 3.493 3.692 -0.199 19974 13359 1 17 . 1 1 16 16 ILE C C 16 176.510 176.510 177.610 -1.100 19974 13360 1 17 . 1 1 16 16 ILE CA C 16 65.072 65.072 64.218 0.854 19974 13361 1 17 . 1 1 16 16 ILE CB C 16 37.580 37.580 38.313 -0.733 19974 13362 1 17 . 1 1 16 16 ILE H H 16 7.592 7.592 7.485 0.107 19974 13363 1 17 . 1 1 17 17 VAL N N 17 121.520 121.520 122.055 -0.535 19974 13364 1 17 . 1 1 17 17 VAL HA H 17 3.504 3.504 3.485 0.019 19974 13365 1 17 . 1 1 17 17 VAL C C 17 178.620 178.620 178.074 0.546 19974 13366 1 17 . 1 1 17 17 VAL CA C 17 67.324 67.324 67.099 0.225 19974 13367 1 17 . 1 1 17 17 VAL CB C 17 31.350 31.350 31.601 -0.251 19974 13368 1 17 . 1 1 17 17 VAL H H 17 8.155 8.155 8.462 -0.307 19974 13369 1 17 . 1 1 18 18 ASP N N 18 120.000 120.000 119.548 0.452 19974 13370 1 17 . 1 1 18 18 ASP HA H 18 4.223 4.223 4.313 -0.090 19974 13371 1 17 . 1 1 18 18 ASP C C 18 177.980 177.980 178.404 -0.424 19974 13372 1 17 . 1 1 18 18 ASP CA C 18 57.050 57.050 57.833 -0.783 19974 13373 1 17 . 1 1 18 18 ASP CB C 18 39.410 39.410 40.604 -1.194 19974 13374 1 17 . 1 1 18 18 ASP H H 18 8.605 8.605 8.478 0.127 19974 13375 1 17 . 1 1 19 19 ALA N N 19 122.620 122.620 122.482 0.138 19974 13376 1 17 . 1 1 19 19 ALA HA H 19 4.194 4.194 4.070 0.124 19974 13377 1 17 . 1 1 19 19 ALA C C 19 180.720 180.720 179.770 0.950 19974 13378 1 17 . 1 1 19 19 ALA CA C 19 54.970 54.970 54.952 0.018 19974 13379 1 17 . 1 1 19 19 ALA CB C 19 17.850 17.850 18.389 -0.539 19974 13380 1 17 . 1 1 19 19 ALA H H 19 7.702 7.702 7.590 0.112 19974 13381 1 17 . 1 1 20 20 ILE N N 20 122.620 122.620 118.535 4.085 19974 13382 1 17 . 1 1 20 20 ILE HA H 20 3.309 3.309 3.551 -0.242 19974 13383 1 17 . 1 1 20 20 ILE C C 20 176.740 176.740 178.037 -1.297 19974 13384 1 17 . 1 1 20 20 ILE CA C 20 66.830 66.830 65.275 1.555 19974 13385 1 17 . 1 1 20 20 ILE CB C 20 38.140 38.140 37.627 0.513 19974 13386 1 17 . 1 1 20 20 ILE H H 20 8.234 8.234 7.851 0.383 19974 13387 1 17 . 1 1 21 21 ARG N N 21 119.660 119.660 118.537 1.123 19974 13388 1 17 . 1 1 21 21 ARG HA H 21 3.899 3.899 3.979 -0.080 19974 13389 1 17 . 1 1 21 21 ARG C C 21 179.540 179.540 177.948 1.592 19974 13390 1 17 . 1 1 21 21 ARG CA C 21 58.990 58.990 59.534 -0.544 19974 13391 1 17 . 1 1 21 21 ARG CB C 21 29.020 29.020 30.031 -1.011 19974 13392 1 17 . 1 1 21 21 ARG H H 21 8.212 8.212 7.956 0.256 19974 13393 1 17 . 1 1 22 22 ASP N N 22 118.640 118.640 117.392 1.248 19974 13394 1 17 . 1 1 22 22 ASP HA H 22 4.239 4.239 4.570 -0.331 19974 13395 1 17 . 1 1 22 22 ASP C C 22 179.190 179.190 177.310 1.880 19974 13396 1 17 . 1 1 22 22 ASP CA C 22 57.270 57.270 55.598 1.672 19974 13397 1 17 . 1 1 22 22 ASP CB C 22 39.770 39.770 40.774 -1.004 19974 13398 1 17 . 1 1 22 22 ASP H H 22 8.137 8.137 7.730 0.407 19974 13399 1 17 . 1 1 23 23 ALA N N 23 126.120 126.120 123.396 2.724 19974 13400 1 17 . 1 1 23 23 ALA HA H 23 4.207 4.207 4.040 0.167 19974 13401 1 17 . 1 1 23 23 ALA C C 23 181.060 181.060 179.095 1.965 19974 13402 1 17 . 1 1 23 23 ALA CA C 23 55.430 55.430 54.740 0.690 19974 13403 1 17 . 1 1 23 23 ALA CB C 23 18.690 18.690 18.622 0.068 19974 13404 1 17 . 1 1 23 23 ALA H H 23 8.500 8.500 7.516 0.984 19974 13405 1 17 . 1 1 24 24 GLU N N 24 115.460 115.460 115.199 0.261 19974 13406 1 17 . 1 1 24 24 GLU HA H 24 4.213 4.213 4.319 -0.106 19974 13407 1 17 . 1 1 24 24 GLU C C 24 176.390 176.390 176.372 0.018 19974 13408 1 17 . 1 1 24 24 GLU CA C 24 58.180 58.180 56.340 1.840 19974 13409 1 17 . 1 1 24 24 GLU CB C 24 28.200 28.200 28.069 0.131 19974 13410 1 17 . 1 1 24 24 GLU H H 24 8.451 8.451 8.012 0.439 19974 13411 1 17 . 1 1 25 25 LYS N N 25 115.790 115.790 116.959 -1.169 19974 13412 1 17 . 1 1 25 25 LYS HA H 25 3.739 3.739 4.343 -0.604 19974 13413 1 17 . 1 1 25 25 LYS C C 25 176.020 176.020 175.425 0.595 19974 13414 1 17 . 1 1 25 25 LYS CA C 25 56.220 56.220 56.027 0.193 19974 13415 1 17 . 1 1 25 25 LYS CB C 25 32.070 32.070 32.817 -0.747 19974 13416 1 17 . 1 1 25 25 LYS H H 25 7.083 7.083 7.494 -0.411 19974 13417 1 17 . 1 1 26 26 ASN N N 26 115.060 115.060 117.123 -2.063 19974 13418 1 17 . 1 1 26 26 ASN HA H 26 4.749 4.749 4.835 -0.086 19974 13419 1 17 . 1 1 26 26 ASN C C 26 174.280 174.280 174.268 0.012 19974 13420 1 17 . 1 1 26 26 ASN CA C 26 53.050 53.050 53.761 -0.711 19974 13421 1 17 . 1 1 26 26 ASN CB C 26 40.410 40.410 41.994 -1.584 19974 13422 1 17 . 1 1 26 26 ASN H H 26 7.931 7.931 8.112 -0.181 19974 13423 1 17 . 1 1 27 27 THR N N 27 113.430 113.430 113.159 0.271 19974 13424 1 17 . 1 1 27 27 THR HA H 27 5.507 5.507 5.076 0.431 19974 13425 1 17 . 1 1 27 27 THR C C 27 170.850 170.850 173.486 -2.636 19974 13426 1 17 . 1 1 27 27 THR CA C 27 57.130 57.130 59.938 -2.808 19974 13427 1 17 . 1 1 27 27 THR CB C 27 70.200 70.200 70.313 -0.113 19974 13428 1 17 . 1 1 27 27 THR H H 27 7.619 7.619 7.636 -0.017 19974 13429 1 17 . 1 1 28 28 SER N N 28 119.450 119.450 117.743 1.707 19974 13430 1 17 . 1 1 28 28 SER HA H 28 4.773 4.773 4.948 -0.175 19974 13431 1 17 . 1 1 28 28 SER C C 28 176.330 176.330 174.069 2.261 19974 13432 1 17 . 1 1 28 28 SER CA C 28 58.913 58.913 58.449 0.464 19974 13433 1 17 . 1 1 28 28 SER CB C 28 64.360 64.360 64.154 0.206 19974 13434 1 17 . 1 1 28 28 SER H H 28 7.706 7.706 8.729 -1.023 19974 13435 1 17 . 1 1 29 29 GLY N N 29 111.350 111.350 109.978 1.372 19974 13436 1 17 . 1 1 29 29 GLY C C 29 171.210 171.210 172.865 -1.655 19974 13437 1 17 . 1 1 29 29 GLY CA C 29 44.643 44.643 44.516 0.127 19974 13438 1 17 . 1 1 29 29 GLY H H 29 9.011 9.011 7.193 1.818 19974 13439 1 17 . 1 1 30 30 GLU N N 30 120.620 120.620 124.092 -3.472 19974 13440 1 17 . 1 1 30 30 GLU HA H 30 4.867 4.867 4.824 0.043 19974 13441 1 17 . 1 1 30 30 GLU C C 30 174.500 174.500 176.007 -1.507 19974 13442 1 17 . 1 1 30 30 GLU CA C 30 54.320 54.320 55.744 -1.424 19974 13443 1 17 . 1 1 30 30 GLU CB C 30 34.030 34.030 31.351 2.679 19974 13444 1 17 . 1 1 30 30 GLU H H 30 6.897 6.897 8.478 -1.581 19974 13445 1 17 . 1 1 31 31 ILE N N 31 121.650 121.650 123.139 -1.489 19974 13446 1 17 . 1 1 31 31 ILE HA H 31 5.171 5.171 4.359 0.812 19974 13447 1 17 . 1 1 31 31 ILE C C 31 175.550 175.550 174.651 0.899 19974 13448 1 17 . 1 1 31 31 ILE CA C 31 59.740 59.740 60.430 -0.690 19974 13449 1 17 . 1 1 31 31 ILE CB C 31 42.520 42.520 39.887 2.633 19974 13450 1 17 . 1 1 31 31 ILE H H 31 8.546 8.546 9.097 -0.551 19974 13451 1 17 . 1 1 32 32 ARG N N 32 121.690 121.690 125.278 -3.588 19974 13452 1 17 . 1 1 32 32 ARG HA H 32 4.951 4.951 4.731 0.220 19974 13453 1 17 . 1 1 32 32 ARG C C 32 173.740 173.740 173.640 0.100 19974 13454 1 17 . 1 1 32 32 ARG CA C 32 55.220 55.220 54.886 0.334 19974 13455 1 17 . 1 1 32 32 ARG CB C 32 34.720 34.720 34.770 -0.050 19974 13456 1 17 . 1 1 32 32 ARG H H 32 8.751 8.751 8.560 0.191 19974 13457 1 17 . 1 1 33 33 VAL N N 33 120.770 120.770 123.089 -2.319 19974 13458 1 17 . 1 1 33 33 VAL HA H 33 4.972 4.972 4.657 0.315 19974 13459 1 17 . 1 1 33 33 VAL C C 33 173.790 173.790 173.919 -0.129 19974 13460 1 17 . 1 1 33 33 VAL CA C 33 59.700 59.700 61.286 -1.586 19974 13461 1 17 . 1 1 33 33 VAL CB C 33 34.820 34.820 34.403 0.417 19974 13462 1 17 . 1 1 33 33 VAL H H 33 8.617 8.617 8.633 -0.016 19974 13463 1 17 . 1 1 34 34 HIS N N 34 125.000 125.000 126.055 -1.055 19974 13464 1 17 . 1 1 34 34 HIS HA H 34 5.743 5.743 5.444 0.299 19974 13465 1 17 . 1 1 34 34 HIS C C 34 172.790 172.790 172.953 -0.163 19974 13466 1 17 . 1 1 34 34 HIS CA C 34 54.370 54.370 53.937 0.433 19974 13467 1 17 . 1 1 34 34 HIS CB C 34 36.840 36.840 33.225 3.615 19974 13468 1 17 . 1 1 34 34 HIS H H 34 8.552 8.552 9.298 -0.746 19974 13469 1 17 . 1 1 35 35 LEU N N 35 124.400 124.400 128.200 -3.800 19974 13470 1 17 . 1 1 35 35 LEU HA H 35 4.800 4.800 4.829 -0.029 19974 13471 1 17 . 1 1 35 35 LEU C C 35 174.490 174.490 174.158 0.332 19974 13472 1 17 . 1 1 35 35 LEU CA C 35 52.190 52.190 53.978 -1.788 19974 13473 1 17 . 1 1 35 35 LEU CB C 35 44.880 44.880 45.074 -0.194 19974 13474 1 17 . 1 1 35 35 LEU H H 35 8.006 8.006 8.426 -0.420 19974 13475 1 17 . 1 1 36 36 GLU N N 36 116.112 116.112 124.973 -8.861 19974 13476 1 17 . 1 1 36 36 GLU HA H 36 4.573 4.573 4.626 -0.053 19974 13477 1 17 . 1 1 36 36 GLU C C 36 174.350 174.350 175.384 -1.034 19974 13478 1 17 . 1 1 36 36 GLU CA C 36 54.130 54.130 54.593 -0.463 19974 13479 1 17 . 1 1 36 36 GLU CB C 36 31.960 31.960 33.632 -1.671 19974 13480 1 17 . 1 1 36 36 GLU H H 36 8.235 8.235 8.615 -0.380 19974 13481 1 17 . 1 1 37 37 LYS N N 37 121.210 121.210 121.292 -0.082 19974 13482 1 17 . 1 1 37 37 LYS HA H 37 3.731 3.731 4.087 -0.355 19974 13483 1 17 . 1 1 37 37 LYS C C 37 175.200 175.200 176.989 -1.789 19974 13484 1 17 . 1 1 37 37 LYS CA C 37 61.410 61.410 59.147 2.264 19974 13485 1 17 . 1 1 37 37 LYS CB C 37 33.090 33.090 33.197 -0.107 19974 13486 1 17 . 1 1 37 37 LYS H H 37 9.055 9.055 8.507 0.548 19974 13487 1 17 . 1 1 38 38 THR N N 38 107.310 107.310 109.591 -2.281 19974 13488 1 17 . 1 1 38 38 THR HA H 38 4.448 4.448 4.557 -0.109 19974 13489 1 17 . 1 1 38 38 THR C C 38 171.420 171.420 172.914 -1.494 19974 13490 1 17 . 1 1 38 38 THR CA C 38 59.530 59.530 60.943 -1.413 19974 13491 1 17 . 1 1 38 38 THR CB C 38 69.570 69.570 69.819 -0.249 19974 13492 1 17 . 1 1 38 38 THR H H 38 7.480 7.480 7.673 -0.193 19974 13493 1 17 . 1 1 39 39 SER N N 39 116.050 116.050 118.335 -2.285 19974 13494 1 17 . 1 1 39 39 SER HA H 39 4.641 4.641 4.825 -0.184 19974 13495 1 17 . 1 1 39 39 SER C C 39 175.590 175.590 174.419 1.171 19974 13496 1 17 . 1 1 39 39 SER CA C 39 57.340 57.340 57.864 -0.524 19974 13497 1 17 . 1 1 39 39 SER CB C 39 64.560 64.560 64.420 0.140 19974 13498 1 17 . 1 1 39 39 SER H H 39 8.177 8.177 8.564 -0.387 19974 13499 1 17 . 1 1 40 40 GLU N N 40 124.630 124.630 121.914 2.716 19974 13500 1 17 . 1 1 40 40 GLU HA H 40 4.118 4.118 4.302 -0.184 19974 13501 1 17 . 1 1 40 40 GLU C C 40 176.520 176.520 176.976 -0.456 19974 13502 1 17 . 1 1 40 40 GLU CA C 40 58.100 58.100 57.221 0.879 19974 13503 1 17 . 1 1 40 40 GLU CB C 40 29.950 29.950 29.892 0.058 19974 13504 1 17 . 1 1 40 40 GLU H H 40 8.905 8.905 8.595 0.310 19974 13505 1 17 . 1 1 41 41 ILE N N 41 113.290 113.290 114.607 -1.317 19974 13506 1 17 . 1 1 41 41 ILE HA H 41 4.460 4.460 4.334 0.126 19974 13507 1 17 . 1 1 41 41 ILE C C 41 175.350 175.350 175.110 0.240 19974 13508 1 17 . 1 1 41 41 ILE CA C 41 59.490 59.490 59.523 -0.033 19974 13509 1 17 . 1 1 41 41 ILE CB C 41 40.150 40.150 39.004 1.147 19974 13510 1 17 . 1 1 41 41 ILE H H 41 7.446 7.446 7.394 0.052 19974 13511 1 17 . 1 1 42 42 ASP N N 42 122.230 122.230 121.912 0.318 19974 13512 1 17 . 1 1 42 42 ASP HA H 42 4.280 4.280 4.798 -0.518 19974 13513 1 17 . 1 1 42 42 ASP C C 42 177.430 177.430 177.053 0.377 19974 13514 1 17 . 1 1 42 42 ASP CA C 42 55.360 55.360 53.985 1.375 19974 13515 1 17 . 1 1 42 42 ASP CB C 42 42.690 42.690 41.676 1.014 19974 13516 1 17 . 1 1 42 42 ASP H H 42 8.271 8.271 8.340 -0.069 19974 13517 1 17 . 1 1 43 43 VAL N N 43 122.150 122.150 124.682 -2.532 19974 13518 1 17 . 1 1 43 43 VAL HA H 43 3.569 3.569 3.567 0.002 19974 13519 1 17 . 1 1 43 43 VAL C C 43 175.780 175.780 177.761 -1.981 19974 13520 1 17 . 1 1 43 43 VAL CA C 43 65.420 65.420 65.562 -0.143 19974 13521 1 17 . 1 1 43 43 VAL CB C 43 31.300 31.300 32.263 -0.963 19974 13522 1 17 . 1 1 43 43 VAL H H 43 8.160 8.160 8.686 -0.526 19974 13523 1 17 . 1 1 44 44 PHE N N 44 121.770 121.770 120.933 0.837 19974 13524 1 17 . 1 1 44 44 PHE HA H 44 3.892 3.892 4.125 -0.233 19974 13525 1 17 . 1 1 44 44 PHE C C 44 177.140 177.140 176.672 0.468 19974 13526 1 17 . 1 1 44 44 PHE CA C 44 62.190 62.190 61.370 0.820 19974 13527 1 17 . 1 1 44 44 PHE CB C 44 38.350 38.350 38.211 0.139 19974 13528 1 17 . 1 1 44 44 PHE H H 44 8.101 8.101 8.208 -0.107 19974 13529 1 17 . 1 1 45 45 ASP N N 45 119.540 119.540 118.735 0.805 19974 13530 1 17 . 1 1 45 45 ASP HA H 45 4.106 4.106 4.107 -0.001 19974 13531 1 17 . 1 1 45 45 ASP C C 45 178.380 178.380 178.409 -0.029 19974 13532 1 17 . 1 1 45 45 ASP CA C 45 57.010 57.010 57.734 -0.724 19974 13533 1 17 . 1 1 45 45 ASP CB C 45 37.900 37.900 40.432 -2.533 19974 13534 1 17 . 1 1 45 45 ASP H H 45 7.317 7.317 8.432 -1.115 19974 13535 1 17 . 1 1 46 46 ARG N N 46 119.920 119.920 120.192 -0.272 19974 13536 1 17 . 1 1 46 46 ARG HA H 46 3.733 3.733 3.818 -0.085 19974 13537 1 17 . 1 1 46 46 ARG C C 46 176.750 176.750 178.004 -1.254 19974 13538 1 17 . 1 1 46 46 ARG CA C 46 57.136 57.136 59.128 -1.992 19974 13539 1 17 . 1 1 46 46 ARG CB C 46 28.590 28.590 30.096 -1.506 19974 13540 1 17 . 1 1 46 46 ARG H H 46 8.246 8.246 7.932 0.314 19974 13541 1 17 . 1 1 47 47 ALA N N 47 120.910 120.910 121.615 -0.705 19974 13542 1 17 . 1 1 47 47 ALA HA H 47 3.048 3.048 3.765 -0.717 19974 13543 1 17 . 1 1 47 47 ALA C C 47 177.810 177.810 179.409 -1.599 19974 13544 1 17 . 1 1 47 47 ALA CA C 47 55.010 55.010 54.750 0.260 19974 13545 1 17 . 1 1 47 47 ALA CB C 47 17.400 17.400 17.739 -0.339 19974 13546 1 17 . 1 1 47 47 ALA H H 47 7.803 7.803 7.940 -0.137 19974 13547 1 17 . 1 1 48 48 MET N N 48 115.800 115.800 118.170 -2.370 19974 13548 1 17 . 1 1 48 48 MET HA H 48 2.568 2.568 3.479 -0.911 19974 13549 1 17 . 1 1 48 48 MET C C 48 177.790 177.790 177.752 0.038 19974 13550 1 17 . 1 1 48 48 MET CA C 48 58.910 58.910 58.955 -0.045 19974 13551 1 17 . 1 1 48 48 MET CB C 48 32.750 32.750 32.099 0.651 19974 13552 1 17 . 1 1 48 48 MET H H 48 7.148 7.148 7.630 -0.482 19974 13553 1 17 . 1 1 49 49 ASP N N 49 121.130 121.130 120.352 0.778 19974 13554 1 17 . 1 1 49 49 ASP HA H 49 4.326 4.326 4.253 0.073 19974 13555 1 17 . 1 1 49 49 ASP C C 49 178.960 178.960 178.965 -0.005 19974 13556 1 17 . 1 1 49 49 ASP CA C 49 57.330 57.330 57.740 -0.410 19974 13557 1 17 . 1 1 49 49 ASP CB C 49 40.180 40.180 40.679 -0.499 19974 13558 1 17 . 1 1 49 49 ASP H H 49 7.656 7.656 7.902 -0.246 19974 13559 1 17 . 1 1 50 50 VAL N N 50 122.030 122.030 120.144 1.886 19974 13560 1 17 . 1 1 50 50 VAL HA H 50 3.150 3.150 3.559 -0.409 19974 13561 1 17 . 1 1 50 50 VAL C C 50 176.610 176.610 177.967 -1.357 19974 13562 1 17 . 1 1 50 50 VAL CA C 50 66.980 66.980 66.328 0.652 19974 13563 1 17 . 1 1 50 50 VAL CB C 50 30.450 30.450 31.680 -1.230 19974 13564 1 17 . 1 1 50 50 VAL H H 50 8.506 8.506 8.238 0.268 19974 13565 1 17 . 1 1 51 51 PHE N N 51 120.010 120.010 120.493 -0.483 19974 13566 1 17 . 1 1 51 51 PHE HA H 51 3.701 3.701 4.180 -0.479 19974 13567 1 17 . 1 1 51 51 PHE C C 51 176.990 176.990 177.117 -0.127 19974 13568 1 17 . 1 1 51 51 PHE CA C 51 61.610 61.610 61.474 0.136 19974 13569 1 17 . 1 1 51 51 PHE CB C 51 39.350 39.350 39.264 0.086 19974 13570 1 17 . 1 1 51 51 PHE H H 51 8.236 8.236 8.427 -0.191 19974 13571 1 17 . 1 1 52 52 HIS N N 52 114.400 114.400 117.213 -2.813 19974 13572 1 17 . 1 1 52 52 HIS HA H 52 4.322 4.322 4.546 -0.224 19974 13573 1 17 . 1 1 52 52 HIS C C 52 179.389 179.389 178.403 0.986 19974 13574 1 17 . 1 1 52 52 HIS CA C 52 59.670 59.670 59.122 0.548 19974 13575 1 17 . 1 1 52 52 HIS CB C 52 28.380 28.380 30.032 -1.652 19974 13576 1 17 . 1 1 52 52 HIS H H 52 7.595 7.595 8.032 -0.437 19974 13577 1 17 . 1 1 53 53 ASN N N 53 125.300 125.300 119.715 5.585 19974 13578 1 17 . 1 1 53 53 ASN HA H 53 4.346 4.346 4.563 -0.217 19974 13579 1 17 . 1 1 53 53 ASN C C 53 177.560 177.560 177.005 0.555 19974 13580 1 17 . 1 1 53 53 ASN CA C 53 56.260 56.260 55.727 0.533 19974 13581 1 17 . 1 1 53 53 ASN CB C 53 38.020 38.020 38.277 -0.257 19974 13582 1 17 . 1 1 53 53 ASN H H 53 9.216 9.216 8.721 0.495 19974 13583 1 17 . 1 1 54 54 LEU N N 54 117.070 117.070 117.633 -0.563 19974 13584 1 17 . 1 1 54 54 LEU HA H 54 4.114 4.114 4.295 -0.181 19974 13585 1 17 . 1 1 54 54 LEU C C 54 175.780 175.780 175.974 -0.194 19974 13586 1 17 . 1 1 54 54 LEU CA C 54 54.400 54.400 55.248 -0.848 19974 13587 1 17 . 1 1 54 54 LEU CB C 54 42.810 42.810 42.146 0.664 19974 13588 1 17 . 1 1 54 54 LEU H H 54 8.270 8.270 7.747 0.523 19974 13589 1 17 . 1 1 55 55 LYS N N 55 116.580 116.580 114.939 1.641 19974 13590 1 17 . 1 1 55 55 LYS HA H 55 3.954 3.954 4.090 -0.136 19974 13591 1 17 . 1 1 55 55 LYS C C 55 177.650 177.650 177.571 0.079 19974 13592 1 17 . 1 1 55 55 LYS CA C 55 56.630 56.630 57.227 -0.597 19974 13593 1 17 . 1 1 55 55 LYS CB C 55 28.110 28.110 29.699 -1.589 19974 13594 1 17 . 1 1 55 55 LYS H H 55 7.953 7.953 7.580 0.373 19974 13595 1 17 . 1 1 56 56 MET N N 56 114.460 114.460 117.315 -2.855 19974 13596 1 17 . 1 1 56 56 MET HA H 56 3.624 3.624 3.955 -0.331 19974 13597 1 17 . 1 1 56 56 MET C C 56 174.010 174.010 176.778 -2.768 19974 13598 1 17 . 1 1 56 56 MET CA C 56 56.800 56.800 59.502 -2.702 19974 13599 1 17 . 1 1 56 56 MET CB C 56 28.620 28.620 31.919 -3.299 19974 13600 1 17 . 1 1 56 56 MET H H 56 7.496 7.496 7.803 -0.307 19974 13601 1 17 . 1 1 57 57 ASP N N 57 113.610 113.610 117.572 -3.962 19974 13602 1 17 . 1 1 57 57 ASP HA H 57 4.490 4.490 4.883 -0.393 19974 13603 1 17 . 1 1 57 57 ASP C C 57 176.060 176.060 176.785 -0.725 19974 13604 1 17 . 1 1 57 57 ASP CA C 57 53.030 53.030 54.977 -1.947 19974 13605 1 17 . 1 1 57 57 ASP CB C 57 38.940 38.940 39.790 -0.850 19974 13606 1 17 . 1 1 57 57 ASP H H 57 8.921 8.921 8.489 0.432 19974 13607 1 17 . 1 1 58 58 ASN N N 58 119.880 119.880 119.574 0.306 19974 13608 1 17 . 1 1 58 58 ASN HA H 58 4.885 4.885 4.717 0.168 19974 13609 1 17 . 1 1 58 58 ASN C C 58 174.060 174.060 174.065 -0.005 19974 13610 1 17 . 1 1 58 58 ASN CA C 58 52.190 52.190 53.209 -1.019 19974 13611 1 17 . 1 1 58 58 ASN CB C 58 37.230 37.230 37.834 -0.604 19974 13612 1 17 . 1 1 58 58 ASN H H 58 7.070 7.070 7.560 -0.490 19974 13613 1 17 . 1 1 59 59 THR N N 59 108.570 108.570 117.802 -9.232 19974 13614 1 17 . 1 1 59 59 THR HA H 59 4.449 4.449 4.533 -0.084 19974 13615 1 17 . 1 1 59 59 THR C C 59 175.810 175.810 174.671 1.139 19974 13616 1 17 . 1 1 59 59 THR CA C 59 59.600 59.600 60.803 -1.203 19974 13617 1 17 . 1 1 59 59 THR CB C 59 70.900 70.900 71.717 -0.817 19974 13618 1 17 . 1 1 59 59 THR H H 59 7.636 7.636 7.731 -0.095 19974 13619 1 17 . 1 1 60 60 LYS N N 60 126.400 126.400 128.310 -1.910 19974 13620 1 17 . 1 1 60 60 LYS HA H 60 3.923 3.923 4.068 -0.145 19974 13621 1 17 . 1 1 60 60 LYS C C 60 179.030 179.030 176.712 2.318 19974 13622 1 17 . 1 1 60 60 LYS CA C 60 59.600 59.600 59.061 0.539 19974 13623 1 17 . 1 1 60 60 LYS CB C 60 32.480 32.480 32.232 0.248 19974 13624 1 17 . 1 1 60 60 LYS H H 60 10.322 10.322 8.779 1.543 19974 13625 1 17 . 1 1 61 61 LEU N N 61 114.780 114.780 116.283 -1.503 19974 13626 1 17 . 1 1 61 61 LEU HA H 61 4.430 4.430 4.430 0.000 19974 13627 1 17 . 1 1 61 61 LEU C C 61 175.660 175.660 175.857 -0.197 19974 13628 1 17 . 1 1 61 61 LEU CA C 61 52.830 52.830 54.348 -1.518 19974 13629 1 17 . 1 1 61 61 LEU CB C 61 40.470 40.470 42.247 -1.777 19974 13630 1 17 . 1 1 61 61 LEU H H 61 8.555 8.555 7.978 0.577 19974 13631 1 17 . 1 1 62 62 GLN N N 62 116.490 116.490 114.671 1.819 19974 13632 1 17 . 1 1 62 62 GLN HA H 62 3.715 3.715 4.029 -0.314 19974 13633 1 17 . 1 1 62 62 GLN C C 62 175.060 175.060 174.267 0.793 19974 13634 1 17 . 1 1 62 62 GLN CA C 62 56.440 56.440 56.342 0.098 19974 13635 1 17 . 1 1 62 62 GLN CB C 62 26.480 26.480 26.454 0.026 19974 13636 1 17 . 1 1 62 62 GLN H H 62 7.526 7.526 7.527 -0.001 19974 13637 1 17 . 1 1 63 63 ASN N N 63 114.760 114.760 114.319 0.441 19974 13638 1 17 . 1 1 63 63 ASN HA H 63 4.352 4.352 4.843 -0.491 19974 13639 1 17 . 1 1 63 63 ASN C C 63 173.790 173.790 175.167 -1.377 19974 13640 1 17 . 1 1 63 63 ASN CA C 63 50.680 50.680 52.397 -1.717 19974 13641 1 17 . 1 1 63 63 ASN CB C 63 35.110 35.110 39.313 -4.203 19974 13642 1 17 . 1 1 63 63 ASN H H 63 8.243 8.243 8.271 -0.028 19974 13643 1 17 . 1 1 64 64 GLY N N 64 105.820 105.820 108.510 -2.690 19974 13644 1 17 . 1 1 64 64 GLY C C 64 172.650 172.650 172.981 -0.331 19974 13645 1 17 . 1 1 64 64 GLY CA C 64 44.136 44.136 45.371 -1.235 19974 13646 1 17 . 1 1 64 64 GLY H H 64 8.618 8.618 8.606 0.012 19974 13647 1 17 . 1 1 65 65 VAL N N 65 120.490 120.490 124.977 -4.487 19974 13648 1 17 . 1 1 65 65 VAL HA H 65 4.814 4.814 4.951 -0.137 19974 13649 1 17 . 1 1 65 65 VAL C C 65 172.610 172.610 174.333 -1.723 19974 13650 1 17 . 1 1 65 65 VAL CA C 65 60.890 60.890 61.188 -0.298 19974 13651 1 17 . 1 1 65 65 VAL CB C 65 35.570 35.570 35.000 0.570 19974 13652 1 17 . 1 1 65 65 VAL H H 65 9.053 9.053 9.174 -0.121 19974 13653 1 17 . 1 1 66 66 LEU N N 66 127.740 127.740 128.722 -0.982 19974 13654 1 17 . 1 1 66 66 LEU HA H 66 5.097 5.097 5.231 -0.134 19974 13655 1 17 . 1 1 66 66 LEU C C 66 175.120 175.120 175.082 0.038 19974 13656 1 17 . 1 1 66 66 LEU CA C 66 51.870 51.870 53.452 -1.581 19974 13657 1 17 . 1 1 66 66 LEU CB C 66 47.520 47.520 46.030 1.490 19974 13658 1 17 . 1 1 66 66 LEU H H 66 9.245 9.245 9.495 -0.250 19974 13659 1 17 . 1 1 67 67 ILE N N 67 126.030 126.030 128.336 -2.306 19974 13660 1 17 . 1 1 67 67 ILE HA H 67 4.484 4.484 4.706 -0.222 19974 13661 1 17 . 1 1 67 67 ILE C C 67 173.290 173.290 175.006 -1.716 19974 13662 1 17 . 1 1 67 67 ILE CA C 67 61.090 61.090 60.536 0.554 19974 13663 1 17 . 1 1 67 67 ILE CB C 67 37.480 37.480 37.447 0.033 19974 13664 1 17 . 1 1 67 67 ILE H H 67 8.974 8.974 9.106 -0.132 19974 13665 1 17 . 1 1 68 68 TYR N N 68 129.400 129.400 130.475 -1.075 19974 13666 1 17 . 1 1 68 68 TYR HA H 68 4.887 4.887 5.062 -0.175 19974 13667 1 17 . 1 1 68 68 TYR C C 68 174.140 174.140 173.967 0.173 19974 13668 1 17 . 1 1 68 68 TYR CA C 68 56.990 56.990 57.770 -0.780 19974 13669 1 17 . 1 1 68 68 TYR CB C 68 40.790 40.790 39.355 1.435 19974 13670 1 17 . 1 1 68 68 TYR H H 68 8.999 8.999 8.928 0.071 19974 13671 1 17 . 1 1 69 69 VAL N N 69 126.790 126.790 128.436 -1.646 19974 13672 1 17 . 1 1 69 69 VAL HA H 69 4.401 4.401 4.518 -0.117 19974 13673 1 17 . 1 1 69 69 VAL C C 69 172.350 172.350 173.567 -1.217 19974 13674 1 17 . 1 1 69 69 VAL CA C 69 60.810 60.810 60.461 0.349 19974 13675 1 17 . 1 1 69 69 VAL CB C 69 34.360 34.360 34.763 -0.403 19974 13676 1 17 . 1 1 69 69 VAL H H 69 8.378 8.378 8.935 -0.557 19974 13677 1 17 . 1 1 70 70 ALA N N 70 129.770 129.770 129.990 -0.220 19974 13678 1 17 . 1 1 70 70 ALA HA H 70 4.592 4.592 5.091 -0.499 19974 13679 1 17 . 1 1 70 70 ALA C C 70 177.620 177.620 177.911 -0.291 19974 13680 1 17 . 1 1 70 70 ALA CA C 70 49.210 49.210 49.885 -0.675 19974 13681 1 17 . 1 1 70 70 ALA CB C 70 17.470 17.470 19.131 -1.661 19974 13682 1 17 . 1 1 70 70 ALA H H 70 8.078 8.078 8.669 -0.591 19974 13683 1 17 . 1 1 71 71 VAL N N 71 120.880 120.880 119.389 1.491 19974 13684 1 17 . 1 1 71 71 VAL HA H 71 2.847 2.847 3.702 -0.855 19974 13685 1 17 . 1 1 71 71 VAL C C 71 178.310 178.310 176.603 1.707 19974 13686 1 17 . 1 1 71 71 VAL CA C 71 66.030 66.030 64.244 1.786 19974 13687 1 17 . 1 1 71 71 VAL CB C 71 32.110 32.110 31.191 0.919 19974 13688 1 17 . 1 1 71 71 VAL H H 71 8.597 8.597 8.427 0.170 19974 13689 1 17 . 1 1 72 72 GLU N N 72 119.350 119.350 122.205 -2.855 19974 13690 1 17 . 1 1 72 72 GLU HA H 72 3.955 3.955 4.249 -0.294 19974 13691 1 17 . 1 1 72 72 GLU C C 72 177.650 177.650 178.008 -0.358 19974 13692 1 17 . 1 1 72 72 GLU CA C 72 59.260 59.260 58.639 0.621 19974 13693 1 17 . 1 1 72 72 GLU CB C 72 28.940 28.940 29.847 -0.907 19974 13694 1 17 . 1 1 72 72 GLU H H 72 9.107 9.107 8.152 0.955 19974 13695 1 17 . 1 1 73 73 ASP N N 73 115.250 115.250 117.547 -2.297 19974 13696 1 17 . 1 1 73 73 ASP HA H 73 4.544 4.544 4.654 -0.110 19974 13697 1 17 . 1 1 73 73 ASP C C 73 175.460 175.460 176.037 -0.577 19974 13698 1 17 . 1 1 73 73 ASP CA C 73 54.030 54.030 54.229 -0.199 19974 13699 1 17 . 1 1 73 73 ASP CB C 73 41.350 41.350 41.029 0.321 19974 13700 1 17 . 1 1 73 73 ASP H H 73 7.039 7.039 7.852 -0.813 19974 13701 1 17 . 1 1 74 74 LYS N N 74 115.850 115.850 117.493 -1.643 19974 13702 1 17 . 1 1 74 74 LYS HA H 74 3.502 3.502 3.974 -0.472 19974 13703 1 17 . 1 1 74 74 LYS C C 74 174.920 174.920 175.789 -0.869 19974 13704 1 17 . 1 1 74 74 LYS CA C 74 57.180 57.180 57.642 -0.462 19974 13705 1 17 . 1 1 74 74 LYS CB C 74 29.100 29.100 31.271 -2.171 19974 13706 1 17 . 1 1 74 74 LYS H H 74 8.012 8.012 8.315 -0.303 19974 13707 1 17 . 1 1 75 75 THR N N 75 111.710 111.710 108.729 2.981 19974 13708 1 17 . 1 1 75 75 THR HA H 75 4.725 4.725 4.866 -0.141 19974 13709 1 17 . 1 1 75 75 THR C C 75 172.150 172.150 173.060 -0.910 19974 13710 1 17 . 1 1 75 75 THR CA C 75 60.740 60.740 60.228 0.512 19974 13711 1 17 . 1 1 75 75 THR CB C 75 70.900 70.900 71.180 -0.279 19974 13712 1 17 . 1 1 75 75 THR H H 75 7.763 7.763 7.638 0.125 19974 13713 1 17 . 1 1 76 76 PHE N N 76 117.220 117.220 116.595 0.625 19974 13714 1 17 . 1 1 76 76 PHE HA H 76 5.968 5.968 5.589 0.379 19974 13715 1 17 . 1 1 76 76 PHE C C 76 173.250 173.250 173.478 -0.228 19974 13716 1 17 . 1 1 76 76 PHE CA C 76 54.920 54.920 55.866 -0.946 19974 13717 1 17 . 1 1 76 76 PHE CB C 76 42.780 42.780 41.723 1.057 19974 13718 1 17 . 1 1 76 76 PHE H H 76 7.992 7.992 8.125 -0.133 19974 13719 1 17 . 1 1 77 77 VAL N N 77 120.030 120.030 121.446 -1.416 19974 13720 1 17 . 1 1 77 77 VAL HA H 77 4.015 4.015 4.494 -0.479 19974 13721 1 17 . 1 1 77 77 VAL C C 77 173.310 173.310 174.386 -1.076 19974 13722 1 17 . 1 1 77 77 VAL CA C 77 60.840 60.840 61.105 -0.265 19974 13723 1 17 . 1 1 77 77 VAL CB C 77 37.410 37.410 35.911 1.499 19974 13724 1 17 . 1 1 77 77 VAL H H 77 9.447 9.447 9.302 0.145 19974 13725 1 17 . 1 1 78 78 ILE N N 78 125.240 125.240 126.166 -0.926 19974 13726 1 17 . 1 1 78 78 ILE HA H 78 4.433 4.433 5.026 -0.593 19974 13727 1 17 . 1 1 78 78 ILE C C 78 174.090 174.090 175.570 -1.480 19974 13728 1 17 . 1 1 78 78 ILE CA C 78 60.081 60.081 59.932 0.149 19974 13729 1 17 . 1 1 78 78 ILE CB C 78 38.340 38.340 39.955 -1.615 19974 13730 1 17 . 1 1 78 78 ILE H H 78 8.155 8.155 8.539 -0.384 19974 13731 1 17 . 1 1 79 79 TYR N N 79 130.130 130.130 129.441 0.689 19974 13732 1 17 . 1 1 79 79 TYR HA H 79 4.422 4.422 5.109 -0.687 19974 13733 1 17 . 1 1 79 79 TYR C C 79 172.740 172.740 174.003 -1.263 19974 13734 1 17 . 1 1 79 79 TYR CA C 79 57.390 57.390 57.195 0.195 19974 13735 1 17 . 1 1 79 79 TYR CB C 79 40.820 40.820 42.956 -2.136 19974 13736 1 17 . 1 1 79 79 TYR H H 79 9.328 9.328 9.405 -0.077 19974 13737 1 17 . 1 1 80 80 GLY N N 80 114.140 114.140 112.129 2.011 19974 13738 1 17 . 1 1 80 80 GLY C C 80 171.090 171.090 172.591 -1.501 19974 13739 1 17 . 1 1 80 80 GLY CA C 80 42.860 42.860 44.252 -1.392 19974 13740 1 17 . 1 1 80 80 GLY H H 80 7.837 7.837 7.719 0.118 19974 13741 1 17 . 1 1 81 81 ASP N N 81 115.660 115.660 121.015 -5.355 19974 13742 1 17 . 1 1 81 81 ASP HA H 81 4.248 4.248 4.407 -0.159 19974 13743 1 17 . 1 1 81 81 ASP C C 81 176.980 176.980 177.984 -1.004 19974 13744 1 17 . 1 1 81 81 ASP CA C 81 51.950 51.950 54.448 -2.498 19974 13745 1 17 . 1 1 81 81 ASP CB C 81 41.260 41.260 42.358 -1.098 19974 13746 1 17 . 1 1 81 81 ASP H H 81 7.633 7.633 8.423 -0.790 19974 13747 1 17 . 1 1 82 82 LYS N N 82 120.470 120.470 121.568 -1.098 19974 13748 1 17 . 1 1 82 82 LYS HA H 82 3.764 3.764 3.917 -0.153 19974 13749 1 17 . 1 1 82 82 LYS C C 82 176.350 176.350 178.825 -2.475 19974 13750 1 17 . 1 1 82 82 LYS CA C 82 59.290 59.290 59.664 -0.374 19974 13751 1 17 . 1 1 82 82 LYS CB C 82 33.720 33.720 32.490 1.230 19974 13752 1 17 . 1 1 82 82 LYS H H 82 9.212 9.212 8.545 0.667 19974 13753 1 17 . 1 1 83 83 GLY N N 83 105.260 105.260 107.705 -2.445 19974 13754 1 17 . 1 1 83 83 GLY C C 83 176.540 176.540 175.995 0.545 19974 13755 1 17 . 1 1 83 83 GLY CA C 83 46.260 46.260 47.226 -0.966 19974 13756 1 17 . 1 1 83 83 GLY H H 83 8.367 8.367 7.996 0.371 19974 13757 1 17 . 1 1 84 84 ILE N N 84 117.510 117.510 123.070 -5.560 19974 13758 1 17 . 1 1 84 84 ILE HA H 84 3.644 3.644 3.657 -0.013 19974 13759 1 17 . 1 1 84 84 ILE C C 84 177.010 177.010 177.919 -0.909 19974 13760 1 17 . 1 1 84 84 ILE CA C 84 63.636 63.636 65.207 -1.571 19974 13761 1 17 . 1 1 84 84 ILE CB C 84 38.820 38.820 38.051 0.769 19974 13762 1 17 . 1 1 84 84 ILE H H 84 7.040 7.040 7.378 -0.338 19974 13763 1 17 . 1 1 85 85 ASN N N 85 117.400 117.400 117.131 0.269 19974 13764 1 17 . 1 1 85 85 ASN HA H 85 4.115 4.115 4.496 -0.381 19974 13765 1 17 . 1 1 85 85 ASN C C 85 176.600 176.600 176.867 -0.267 19974 13766 1 17 . 1 1 85 85 ASN CA C 85 55.840 55.840 55.474 0.366 19974 13767 1 17 . 1 1 85 85 ASN CB C 85 37.720 37.720 37.855 -0.135 19974 13768 1 17 . 1 1 85 85 ASN H H 85 7.351 7.351 8.012 -0.661 19974 13769 1 17 . 1 1 86 86 ASP N N 86 115.890 115.890 118.119 -2.229 19974 13770 1 17 . 1 1 86 86 ASP HA H 86 4.391 4.391 4.659 -0.268 19974 13771 1 17 . 1 1 86 86 ASP C C 86 177.240 177.240 177.365 -0.125 19974 13772 1 17 . 1 1 86 86 ASP CA C 86 56.260 56.260 55.834 0.426 19974 13773 1 17 . 1 1 86 86 ASP CB C 86 41.200 41.200 41.232 -0.032 19974 13774 1 17 . 1 1 86 86 ASP H H 86 8.377 8.377 8.286 0.091 19974 13775 1 17 . 1 1 87 87 VAL N N 87 109.640 109.640 113.028 -3.388 19974 13776 1 17 . 1 1 87 87 VAL HA H 87 4.473 4.473 4.404 0.069 19974 13777 1 17 . 1 1 87 87 VAL C C 87 175.780 175.780 176.002 -0.222 19974 13778 1 17 . 1 1 87 87 VAL CA C 87 61.320 61.320 62.747 -1.427 19974 13779 1 17 . 1 1 87 87 VAL CB C 87 34.170 34.170 33.834 0.336 19974 13780 1 17 . 1 1 87 87 VAL H H 87 7.196 7.196 7.535 -0.339 19974 13781 1 17 . 1 1 88 88 VAL N N 88 113.200 113.200 115.127 -1.927 19974 13782 1 17 . 1 1 88 88 VAL HA H 88 3.789 3.789 4.144 -0.355 19974 13783 1 17 . 1 1 88 88 VAL C C 88 175.760 175.760 174.927 0.833 19974 13784 1 17 . 1 1 88 88 VAL CA C 88 60.640 60.640 60.033 0.607 19974 13785 1 17 . 1 1 88 88 VAL CB C 88 32.970 32.970 33.732 -0.762 19974 13786 1 17 . 1 1 88 88 VAL H H 88 6.921 6.921 7.789 -0.868 19974 13787 1 17 . 1 1 89 89 SER N N 89 114.460 114.460 116.375 -1.915 19974 13788 1 17 . 1 1 89 89 SER HA H 89 4.546 4.546 4.754 -0.208 19974 13789 1 17 . 1 1 89 89 SER C C 89 175.720 175.720 174.628 1.092 19974 13790 1 17 . 1 1 89 89 SER CA C 89 57.330 57.330 56.921 0.409 19974 13791 1 17 . 1 1 89 89 SER CB C 89 64.500 64.500 66.195 -1.695 19974 13792 1 17 . 1 1 89 89 SER H H 89 7.738 7.738 8.402 -0.664 19974 13793 1 17 . 1 1 90 90 ASP N N 90 120.250 120.250 121.656 -1.406 19974 13794 1 17 . 1 1 90 90 ASP HA H 90 4.361 4.361 4.294 0.067 19974 13795 1 17 . 1 1 90 90 ASP C C 90 176.630 176.630 177.548 -0.918 19974 13796 1 17 . 1 1 90 90 ASP CA C 90 57.050 57.050 57.329 -0.279 19974 13797 1 17 . 1 1 90 90 ASP CB C 90 40.540 40.540 40.434 0.106 19974 13798 1 17 . 1 1 90 90 ASP H H 90 8.687 8.687 8.788 -0.101 19974 13799 1 17 . 1 1 91 91 ASP N N 91 116.800 116.800 117.443 -0.643 19974 13800 1 17 . 1 1 91 91 ASP HA H 91 4.605 4.605 4.770 -0.165 19974 13801 1 17 . 1 1 91 91 ASP C C 91 177.610 177.610 177.825 -0.215 19974 13802 1 17 . 1 1 91 91 ASP CA C 91 52.890 52.890 56.288 -3.398 19974 13803 1 17 . 1 1 91 91 ASP CB C 91 40.230 40.230 40.019 0.211 19974 13804 1 17 . 1 1 91 91 ASP H H 91 8.250 8.250 8.696 -0.446 19974 13805 1 17 . 1 1 92 92 PHE N N 92 122.130 122.130 121.328 0.802 19974 13806 1 17 . 1 1 92 92 PHE HA H 92 3.857 3.857 4.464 -0.607 19974 13807 1 17 . 1 1 92 92 PHE C C 92 177.040 177.040 176.429 0.611 19974 13808 1 17 . 1 1 92 92 PHE CA C 92 61.910 61.910 60.338 1.572 19974 13809 1 17 . 1 1 92 92 PHE CB C 92 40.696 40.696 39.726 0.970 19974 13810 1 17 . 1 1 92 92 PHE H H 92 7.564 7.564 7.662 -0.098 19974 13811 1 17 . 1 1 93 93 TRP N N 93 113.980 113.980 119.330 -5.350 19974 13812 1 17 . 1 1 93 93 TRP HA H 93 4.726 4.726 4.514 0.212 19974 13813 1 17 . 1 1 93 93 TRP C C 93 176.420 176.420 177.683 -1.263 19974 13814 1 17 . 1 1 93 93 TRP CA C 93 56.020 56.020 59.333 -3.313 19974 13815 1 17 . 1 1 93 93 TRP CB C 93 29.990 29.990 29.349 0.640 19974 13816 1 17 . 1 1 93 93 TRP H H 93 8.532 8.532 7.754 0.778 19974 13817 1 17 . 1 1 94 94 ASP N N 94 122.120 122.120 120.193 1.927 19974 13818 1 17 . 1 1 94 94 ASP HA H 94 4.228 4.228 4.355 -0.127 19974 13819 1 17 . 1 1 94 94 ASP C C 94 178.550 178.550 178.664 -0.114 19974 13820 1 17 . 1 1 94 94 ASP CA C 94 59.120 59.120 58.097 1.023 19974 13821 1 17 . 1 1 94 94 ASP CB C 94 39.140 39.140 40.333 -1.193 19974 13822 1 17 . 1 1 94 94 ASP H H 94 7.904 7.904 8.327 -0.423 19974 13823 1 17 . 1 1 95 95 THR N N 95 111.200 111.200 115.850 -4.650 19974 13824 1 17 . 1 1 95 95 THR HA H 95 4.004 4.004 3.989 0.015 19974 13825 1 17 . 1 1 95 95 THR C C 95 177.630 177.630 176.576 1.054 19974 13826 1 17 . 1 1 95 95 THR CA C 95 65.560 65.560 66.413 -0.853 19974 13827 1 17 . 1 1 95 95 THR CB C 95 68.230 68.230 68.587 -0.357 19974 13828 1 17 . 1 1 95 95 THR H H 95 8.559 8.559 8.057 0.502 19974 13829 1 17 . 1 1 96 96 THR N N 96 123.230 123.230 118.640 4.590 19974 13830 1 17 . 1 1 96 96 THR HA H 96 3.725 3.725 3.887 -0.162 19974 13831 1 17 . 1 1 96 96 THR C C 96 175.410 175.410 176.383 -0.973 19974 13832 1 17 . 1 1 96 96 THR CA C 96 68.286 68.286 66.831 1.455 19974 13833 1 17 . 1 1 96 96 THR CB C 96 68.200 68.200 68.446 -0.246 19974 13834 1 17 . 1 1 96 96 THR H H 96 7.991 7.991 7.517 0.474 19974 13835 1 17 . 1 1 97 97 ARG N N 97 119.960 119.960 121.161 -1.201 19974 13836 1 17 . 1 1 97 97 ARG HA H 97 3.829 3.829 3.975 -0.146 19974 13837 1 17 . 1 1 97 97 ARG C C 97 178.320 178.320 178.599 -0.279 19974 13838 1 17 . 1 1 97 97 ARG CA C 97 60.390 60.390 60.139 0.251 19974 13839 1 17 . 1 1 97 97 ARG CB C 97 29.870 29.870 30.189 -0.320 19974 13840 1 17 . 1 1 97 97 ARG H H 97 8.825 8.825 7.937 0.888 19974 13841 1 17 . 1 1 98 98 ASN N N 98 115.680 115.680 118.629 -2.949 19974 13842 1 17 . 1 1 98 98 ASN HA H 98 4.390 4.390 4.507 -0.117 19974 13843 1 17 . 1 1 98 98 ASN C C 98 176.620 176.620 177.518 -0.898 19974 13844 1 17 . 1 1 98 98 ASN CA C 98 56.050 56.050 56.344 -0.295 19974 13845 1 17 . 1 1 98 98 ASN CB C 98 38.220 38.220 38.408 -0.188 19974 13846 1 17 . 1 1 98 98 ASN H H 98 8.508 8.508 8.579 -0.071 19974 13847 1 17 . 1 1 99 99 ALA N N 99 120.830 120.830 123.353 -2.523 19974 13848 1 17 . 1 1 99 99 ALA HA H 99 4.020 4.020 3.957 0.063 19974 13849 1 17 . 1 1 99 99 ALA C C 99 179.800 179.800 179.325 0.475 19974 13850 1 17 . 1 1 99 99 ALA CA C 99 54.770 54.770 55.151 -0.381 19974 13851 1 17 . 1 1 99 99 ALA CB C 99 18.110 18.110 18.558 -0.448 19974 13852 1 17 . 1 1 99 99 ALA H H 99 7.447 7.447 7.988 -0.541 19974 13853 1 17 . 1 1 100 100 ILE N N 100 116.240 116.240 119.383 -3.143 19974 13854 1 17 . 1 1 100 100 ILE HA H 100 3.203 3.203 3.689 -0.486 19974 13855 1 17 . 1 1 100 100 ILE C C 100 178.050 178.050 177.867 0.183 19974 13856 1 17 . 1 1 100 100 ILE CA C 100 64.550 64.550 65.077 -0.527 19974 13857 1 17 . 1 1 100 100 ILE CB C 100 37.640 37.640 37.364 0.276 19974 13858 1 17 . 1 1 100 100 ILE H H 100 7.339 7.339 7.860 -0.521 19974 13859 1 17 . 1 1 101 101 GLN N N 101 118.750 118.750 119.837 -1.087 19974 13860 1 17 . 1 1 101 101 GLN HA H 101 3.917 3.917 3.792 0.125 19974 13861 1 17 . 1 1 101 101 GLN C C 101 177.870 177.870 178.554 -0.684 19974 13862 1 17 . 1 1 101 101 GLN CA C 101 59.200 59.200 59.384 -0.184 19974 13863 1 17 . 1 1 101 101 GLN CB C 101 28.860 28.860 28.908 -0.048 19974 13864 1 17 . 1 1 101 101 GLN H H 101 8.359 8.359 8.160 0.199 19974 13865 1 17 . 1 1 102 102 LEU N N 102 117.790 117.790 119.467 -1.677 19974 13866 1 17 . 1 1 102 102 LEU HA H 102 3.951 3.951 4.063 -0.112 19974 13867 1 17 . 1 1 102 102 LEU C C 102 179.550 179.550 179.529 0.021 19974 13868 1 17 . 1 1 102 102 LEU CA C 102 58.190 58.190 58.069 0.121 19974 13869 1 17 . 1 1 102 102 LEU CB C 102 42.320 42.320 41.655 0.665 19974 13870 1 17 . 1 1 102 102 LEU H H 102 8.119 8.119 8.445 -0.326 19974 13871 1 17 . 1 1 103 103 GLN N N 103 113.650 113.650 118.078 -4.428 19974 13872 1 17 . 1 1 103 103 GLN HA H 103 4.426 4.426 4.181 0.245 19974 13873 1 17 . 1 1 103 103 GLN C C 103 179.680 179.680 178.919 0.761 19974 13874 1 17 . 1 1 103 103 GLN CA C 103 56.550 56.550 58.283 -1.733 19974 13875 1 17 . 1 1 103 103 GLN CB C 103 27.480 27.480 28.932 -1.452 19974 13876 1 17 . 1 1 103 103 GLN H H 103 6.636 6.636 7.562 -0.926 19974 13877 1 17 . 1 1 104 104 PHE N N 104 123.740 123.740 121.102 2.638 19974 13878 1 17 . 1 1 104 104 PHE HA H 104 3.895 3.895 4.326 -0.431 19974 13879 1 17 . 1 1 104 104 PHE C C 104 180.130 180.130 177.817 2.313 19974 13880 1 17 . 1 1 104 104 PHE CA C 104 59.760 59.760 61.578 -1.818 19974 13881 1 17 . 1 1 104 104 PHE CB C 104 36.620 36.620 38.843 -2.223 19974 13882 1 17 . 1 1 104 104 PHE H H 104 9.161 9.161 8.863 0.298 19974 13883 1 17 . 1 1 105 105 LYS N N 105 119.280 119.280 118.094 1.186 19974 13884 1 17 . 1 1 105 105 LYS HA H 105 4.126 4.126 4.096 0.030 19974 13885 1 17 . 1 1 105 105 LYS C C 105 177.290 177.290 178.309 -1.019 19974 13886 1 17 . 1 1 105 105 LYS CA C 105 58.913 58.913 58.843 0.070 19974 13887 1 17 . 1 1 105 105 LYS CB C 105 31.920 31.920 32.312 -0.392 19974 13888 1 17 . 1 1 105 105 LYS H H 105 8.519 8.519 8.332 0.187 19974 13889 1 17 . 1 1 106 106 GLN N N 106 114.530 114.530 115.686 -1.156 19974 13890 1 17 . 1 1 106 106 GLN HA H 106 4.415 4.415 4.238 0.177 19974 13891 1 17 . 1 1 106 106 GLN C C 106 175.450 175.450 177.010 -1.560 19974 13892 1 17 . 1 1 106 106 GLN CA C 106 54.850 54.850 56.781 -1.931 19974 13893 1 17 . 1 1 106 106 GLN CB C 106 30.010 30.010 29.834 0.176 19974 13894 1 17 . 1 1 106 106 GLN H H 106 6.934 6.934 7.558 -0.624 19974 13895 1 17 . 1 1 107 107 GLY N N 107 106.800 106.800 106.191 0.609 19974 13896 1 17 . 1 1 107 107 GLY C C 107 173.140 173.140 173.707 -0.567 19974 13897 1 17 . 1 1 107 107 GLY CA C 107 44.930 44.930 44.503 0.427 19974 13898 1 17 . 1 1 107 107 GLY H H 107 7.722 7.722 8.277 -0.555 19974 13899 1 17 . 1 1 108 108 ASN N N 108 120.230 120.230 120.913 -0.683 19974 13900 1 17 . 1 1 108 108 ASN HA H 108 4.827 4.827 4.679 0.148 19974 13901 1 17 . 1 1 108 108 ASN C C 108 174.820 174.820 175.170 -0.350 19974 13902 1 17 . 1 1 108 108 ASN CA C 108 50.520 50.520 50.473 0.047 19974 13903 1 17 . 1 1 108 108 ASN CB C 108 37.090 37.090 37.308 -0.218 19974 13904 1 17 . 1 1 108 108 ASN H H 108 7.654 7.654 7.705 -0.051 19974 13905 1 17 . 1 1 109 109 PHE N N 109 122.130 122.130 125.434 -3.304 19974 13906 1 17 . 1 1 109 109 PHE HA H 109 4.038 4.038 3.520 0.518 19974 13907 1 17 . 1 1 109 109 PHE C C 109 177.270 177.270 177.535 -0.265 19974 13908 1 17 . 1 1 109 109 PHE CA C 109 60.670 60.670 58.523 2.147 19974 13909 1 17 . 1 1 109 109 PHE CB C 109 38.220 38.220 38.011 0.209 19974 13910 1 17 . 1 1 109 109 PHE H H 109 7.231 7.231 7.708 -0.477 19974 13911 1 17 . 1 1 110 110 LYS N N 110 118.670 118.670 120.328 -1.658 19974 13912 1 17 . 1 1 110 110 LYS HA H 110 3.610 3.610 3.846 -0.236 19974 13913 1 17 . 1 1 110 110 LYS C C 110 177.680 177.680 178.341 -0.661 19974 13914 1 17 . 1 1 110 110 LYS CA C 110 60.050 60.050 60.260 -0.210 19974 13915 1 17 . 1 1 110 110 LYS CB C 110 29.680 29.680 32.066 -2.385 19974 13916 1 17 . 1 1 110 110 LYS H H 110 8.727 8.727 8.054 0.673 19974 13917 1 17 . 1 1 111 111 GLN N N 111 117.980 117.980 118.603 -0.623 19974 13918 1 17 . 1 1 111 111 GLN HA H 111 3.491 3.491 4.066 -0.575 19974 13919 1 17 . 1 1 111 111 GLN C C 111 177.640 177.640 178.120 -0.480 19974 13920 1 17 . 1 1 111 111 GLN CA C 111 57.530 57.530 58.797 -1.268 19974 13921 1 17 . 1 1 111 111 GLN CB C 111 28.460 28.460 28.620 -0.160 19974 13922 1 17 . 1 1 111 111 GLN H H 111 8.442 8.442 8.639 -0.197 19974 13923 1 17 . 1 1 112 112 GLY N N 112 103.740 103.740 107.703 -3.963 19974 13924 1 17 . 1 1 112 112 GLY C C 112 173.970 173.970 176.540 -2.570 19974 13925 1 17 . 1 1 112 112 GLY CA C 112 48.730 48.730 47.194 1.536 19974 13926 1 17 . 1 1 112 112 GLY H H 112 8.196 8.196 8.137 0.059 19974 13927 1 17 . 1 1 113 113 LEU N N 113 119.640 119.640 122.697 -3.057 19974 13928 1 17 . 1 1 113 113 LEU HA H 113 3.868 3.868 4.033 -0.165 19974 13929 1 17 . 1 1 113 113 LEU C C 113 177.480 177.480 178.770 -1.290 19974 13930 1 17 . 1 1 113 113 LEU CA C 113 58.150 58.150 57.593 0.557 19974 13931 1 17 . 1 1 113 113 LEU CB C 113 41.920 41.920 42.064 -0.144 19974 13932 1 17 . 1 1 113 113 LEU H H 113 7.614 7.614 7.881 -0.267 19974 13933 1 17 . 1 1 114 114 VAL N N 114 118.510 118.510 121.148 -2.638 19974 13934 1 17 . 1 1 114 114 VAL HA H 114 3.269 3.269 3.477 -0.208 19974 13935 1 17 . 1 1 114 114 VAL C C 114 177.330 177.330 177.965 -0.635 19974 13936 1 17 . 1 1 114 114 VAL CA C 114 67.787 67.787 67.454 0.333 19974 13937 1 17 . 1 1 114 114 VAL CB C 114 31.600 31.600 31.537 0.063 19974 13938 1 17 . 1 1 114 114 VAL H H 114 8.284 8.284 8.434 -0.150 19974 13939 1 17 . 1 1 115 115 ASP N N 115 119.440 119.440 119.479 -0.039 19974 13940 1 17 . 1 1 115 115 ASP HA H 115 4.261 4.261 4.398 -0.137 19974 13941 1 17 . 1 1 115 115 ASP C C 115 179.840 179.840 178.861 0.979 19974 13942 1 17 . 1 1 115 115 ASP CA C 115 56.950 56.950 57.283 -0.333 19974 13943 1 17 . 1 1 115 115 ASP CB C 115 39.840 39.840 40.084 -0.244 19974 13944 1 17 . 1 1 115 115 ASP H H 115 8.724 8.724 8.702 0.022 19974 13945 1 17 . 1 1 116 116 GLY N N 116 107.280 107.280 108.605 -1.325 19974 13946 1 17 . 1 1 116 116 GLY C C 116 174.130 174.130 176.197 -2.067 19974 13947 1 17 . 1 1 116 116 GLY CA C 116 47.190 47.190 47.027 0.163 19974 13948 1 17 . 1 1 116 116 GLY H H 116 8.370 8.370 7.737 0.633 19974 13949 1 17 . 1 1 117 117 ILE N N 117 123.350 123.350 122.452 0.898 19974 13950 1 17 . 1 1 117 117 ILE HA H 117 3.307 3.307 3.583 -0.276 19974 13951 1 17 . 1 1 117 117 ILE C C 117 176.750 176.750 177.440 -0.690 19974 13952 1 17 . 1 1 117 117 ILE CA C 117 66.168 66.168 65.490 0.678 19974 13953 1 17 . 1 1 117 117 ILE CB C 117 37.760 37.760 37.911 -0.151 19974 13954 1 17 . 1 1 117 117 ILE H H 117 8.573 8.573 8.411 0.162 19974 13955 1 17 . 1 1 118 118 GLU N N 118 119.220 119.220 120.573 -1.353 19974 13956 1 17 . 1 1 118 118 GLU HA H 118 4.003 4.003 3.873 0.130 19974 13957 1 17 . 1 1 118 118 GLU C C 118 180.600 180.600 178.855 1.745 19974 13958 1 17 . 1 1 118 118 GLU CA C 118 59.472 59.472 59.861 -0.389 19974 13959 1 17 . 1 1 118 118 GLU CB C 118 29.310 29.310 29.473 -0.163 19974 13960 1 17 . 1 1 118 118 GLU H H 118 7.998 7.998 8.511 -0.513 19974 13961 1 17 . 1 1 119 119 LYS N N 119 118.270 118.270 119.376 -1.106 19974 13962 1 17 . 1 1 119 119 LYS HA H 119 3.897 3.897 4.032 -0.135 19974 13963 1 17 . 1 1 119 119 LYS C C 119 179.040 179.040 178.888 0.152 19974 13964 1 17 . 1 1 119 119 LYS CA C 119 58.090 58.090 58.960 -0.870 19974 13965 1 17 . 1 1 119 119 LYS CB C 119 31.340 31.340 32.436 -1.096 19974 13966 1 17 . 1 1 119 119 LYS H H 119 7.846 7.846 8.014 -0.168 19974 13967 1 17 . 1 1 120 120 ALA N N 120 125.280 125.280 122.509 2.771 19974 13968 1 17 . 1 1 120 120 ALA HA H 120 4.195 4.195 3.913 0.282 19974 13969 1 17 . 1 1 120 120 ALA C C 120 180.230 180.230 179.487 0.743 19974 13970 1 17 . 1 1 120 120 ALA CA C 120 55.040 55.040 55.035 0.005 19974 13971 1 17 . 1 1 120 120 ALA CB C 120 17.380 17.380 18.315 -0.935 19974 13972 1 17 . 1 1 120 120 ALA H H 120 9.092 9.092 8.226 0.866 19974 13973 1 17 . 1 1 121 121 GLY N N 121 104.130 104.130 106.586 -2.456 19974 13974 1 17 . 1 1 121 121 GLY C C 121 174.930 174.930 176.065 -1.135 19974 13975 1 17 . 1 1 121 121 GLY CA C 121 47.590 47.590 47.096 0.494 19974 13976 1 17 . 1 1 121 121 GLY H H 121 8.606 8.606 8.565 0.041 19974 13977 1 17 . 1 1 122 122 MET N N 122 117.000 117.000 121.755 -4.755 19974 13978 1 17 . 1 1 122 122 MET HA H 122 4.183 4.183 4.230 -0.047 19974 13979 1 17 . 1 1 122 122 MET C C 122 178.500 178.500 177.895 0.605 19974 13980 1 17 . 1 1 122 122 MET CA C 122 57.470 57.470 57.733 -0.263 19974 13981 1 17 . 1 1 122 122 MET CB C 122 32.200 32.200 32.003 0.197 19974 13982 1 17 . 1 1 122 122 MET H H 122 7.284 7.284 7.703 -0.419 19974 13983 1 17 . 1 1 123 123 ALA N N 123 124.060 124.060 123.427 0.633 19974 13984 1 17 . 1 1 123 123 ALA HA H 123 4.076 4.076 4.292 -0.216 19974 13985 1 17 . 1 1 123 123 ALA C C 123 180.880 180.880 180.289 0.591 19974 13986 1 17 . 1 1 123 123 ALA CA C 123 54.760 54.760 55.034 -0.274 19974 13987 1 17 . 1 1 123 123 ALA CB C 123 17.590 17.590 18.153 -0.563 19974 13988 1 17 . 1 1 123 123 ALA H H 123 8.308 8.308 7.824 0.484 19974 13989 1 17 . 1 1 124 124 LEU N N 124 117.060 117.060 120.718 -3.658 19974 13990 1 17 . 1 1 124 124 LEU HA H 124 4.270 4.270 4.279 -0.009 19974 13991 1 17 . 1 1 124 124 LEU C C 124 179.170 179.170 179.078 0.092 19974 13992 1 17 . 1 1 124 124 LEU CA C 124 57.840 57.840 58.097 -0.257 19974 13993 1 17 . 1 1 124 124 LEU CB C 124 42.920 42.920 41.803 1.117 19974 13994 1 17 . 1 1 124 124 LEU H H 124 8.871 8.871 8.825 0.046 19974 13995 1 17 . 1 1 125 125 ALA N N 125 120.950 120.950 120.118 0.832 19974 13996 1 17 . 1 1 125 125 ALA HA H 125 3.956 3.956 4.484 -0.528 19974 13997 1 17 . 1 1 125 125 ALA C C 125 177.740 177.740 179.310 -1.570 19974 13998 1 17 . 1 1 125 125 ALA CA C 125 55.220 55.220 54.536 0.684 19974 13999 1 17 . 1 1 125 125 ALA CB C 125 19.180 19.180 18.412 0.768 19974 14000 1 17 . 1 1 125 125 ALA H H 125 7.829 7.829 8.603 -0.774 19974 14001 1 17 . 1 1 126 126 LYS N N 126 113.320 113.320 118.343 -5.023 19974 14002 1 17 . 1 1 126 126 LYS HA H 126 3.798 3.798 4.131 -0.333 19974 14003 1 17 . 1 1 126 126 LYS C C 126 176.550 176.550 177.993 -1.443 19974 14004 1 17 . 1 1 126 126 LYS CA C 126 58.490 58.490 58.671 -0.181 19974 14005 1 17 . 1 1 126 126 LYS CB C 126 32.620 32.620 32.611 0.009 19974 14006 1 17 . 1 1 126 126 LYS H H 126 6.971 6.971 8.020 -1.049 19974 14007 1 17 . 1 1 127 127 TYR N N 127 113.850 113.850 116.896 -3.046 19974 14008 1 17 . 1 1 127 127 TYR HA H 127 4.067 4.067 4.245 -0.178 19974 14009 1 17 . 1 1 127 127 TYR C C 127 174.390 174.390 176.077 -1.687 19974 14010 1 17 . 1 1 127 127 TYR CA C 127 58.770 58.770 60.388 -1.618 19974 14011 1 17 . 1 1 127 127 TYR CB C 127 41.930 41.930 39.594 2.336 19974 14012 1 17 . 1 1 127 127 TYR H H 127 6.817 6.817 7.681 -0.864 19974 14013 1 17 . 1 1 128 128 PHE N N 128 116.130 116.130 117.229 -1.099 19974 14014 1 17 . 1 1 128 128 PHE HA H 128 4.907 4.907 5.030 -0.123 19974 14015 1 17 . 1 1 128 128 PHE C C 128 172.450 172.450 173.742 -1.292 19974 14016 1 17 . 1 1 128 128 PHE CA C 128 55.003 55.003 54.964 0.039 19974 14017 1 17 . 1 1 128 128 PHE CB C 128 38.550 38.550 40.040 -1.490 19974 14018 1 17 . 1 1 128 128 PHE H H 128 8.688 8.688 8.666 0.022 19974 14019 1 17 . 1 1 129 129 PRO HA H 129 4.680 4.680 4.703 -0.023 19974 14020 1 17 . 1 1 129 129 PRO C C 129 175.720 175.720 176.701 -0.981 19974 14021 1 17 . 1 1 129 129 PRO CA C 129 63.382 63.382 62.521 0.861 19974 14022 1 17 . 1 1 129 129 PRO CB C 129 31.810 31.810 32.212 -0.402 19974 14023 1 17 . 1 1 130 130 TRP N N 130 123.170 123.170 128.463 -5.293 19974 14024 1 17 . 1 1 130 130 TRP HA H 130 4.031 4.031 4.516 -0.485 19974 14025 1 17 . 1 1 130 130 TRP C C 130 175.310 175.310 175.649 -0.339 19974 14026 1 17 . 1 1 130 130 TRP CA C 130 59.510 59.510 58.855 0.655 19974 14027 1 17 . 1 1 130 130 TRP CB C 130 29.300 29.300 30.404 -1.104 19974 14028 1 17 . 1 1 130 130 TRP H H 130 7.910 7.910 8.519 -0.609 19974 14029 1 17 . 1 1 131 131 LYS N N 131 127.060 127.060 124.852 2.208 19974 14030 1 17 . 1 1 131 131 LYS HA H 131 4.260 4.260 4.302 -0.042 19974 14031 1 17 . 1 1 131 131 LYS C C 131 174.450 174.450 176.271 -1.821 19974 14032 1 17 . 1 1 131 131 LYS CA C 131 53.240 53.240 54.017 -0.777 19974 14033 1 17 . 1 1 131 131 LYS CB C 131 35.250 35.250 34.757 0.493 19974 14034 1 17 . 1 1 131 131 LYS H H 131 8.097 8.097 7.468 0.629 19974 14035 1 17 . 1 1 132 132 LYS N N 132 116.250 116.250 122.481 -6.231 19974 14036 1 17 . 1 1 132 132 LYS HA H 132 3.398 3.398 3.516 -0.118 19974 14037 1 17 . 1 1 132 132 LYS C C 132 176.550 176.550 176.242 0.308 19974 14038 1 17 . 1 1 132 132 LYS CA C 132 58.140 58.140 58.336 -0.195 19974 14039 1 17 . 1 1 132 132 LYS CB C 132 31.880 31.880 32.144 -0.264 19974 14040 1 17 . 1 1 132 132 LYS H H 132 7.761 7.761 8.456 -0.695 19974 14041 1 17 . 1 1 133 133 ASP N N 133 116.600 116.600 118.470 -1.870 19974 14042 1 17 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.681 -0.330 19974 14043 1 17 . 1 1 133 133 ASP C C 133 175.320 175.320 175.415 -0.095 19974 14044 1 17 . 1 1 133 133 ASP CA C 133 52.520 52.520 53.872 -1.352 19974 14045 1 17 . 1 1 133 133 ASP CB C 133 38.720 38.720 40.168 -1.448 19974 14046 1 17 . 1 1 133 133 ASP H H 133 7.633 7.633 7.861 -0.228 19974 14047 1 17 . 1 1 134 134 ASP N N 134 119.140 119.140 121.098 -1.958 19974 14048 1 17 . 1 1 134 134 ASP HA H 134 3.989 3.989 4.504 -0.515 19974 14049 1 17 . 1 1 134 134 ASP C C 134 175.500 175.500 176.070 -0.570 19974 14050 1 17 . 1 1 134 134 ASP CA C 134 56.410 56.410 54.367 2.043 19974 14051 1 17 . 1 1 134 134 ASP CB C 134 42.740 42.740 41.789 0.951 19974 14052 1 17 . 1 1 134 134 ASP H H 134 7.251 7.251 7.193 0.058 19974 14053 1 17 . 1 1 135 135 ILE N N 135 123.230 123.230 118.789 4.441 19974 14054 1 17 . 1 1 135 135 ILE HA H 135 4.301 4.301 4.623 -0.322 19974 14055 1 17 . 1 1 135 135 ILE C C 135 176.300 176.300 174.000 2.300 19974 14056 1 17 . 1 1 135 135 ILE CA C 135 58.640 58.640 59.397 -0.757 19974 14057 1 17 . 1 1 135 135 ILE CB C 135 40.800 40.800 41.176 -0.376 19974 14058 1 17 . 1 1 135 135 ILE H H 135 8.351 8.351 7.929 0.422 19974 14059 1 17 . 1 1 136 136 ASP N N 136 131.670 131.670 121.024 10.646 19974 14060 1 17 . 1 1 136 136 ASP HA H 136 5.640 5.640 4.828 0.812 19974 14061 1 17 . 1 1 136 136 ASP C C 136 176.150 176.150 175.773 0.377 19974 14062 1 17 . 1 1 136 136 ASP CA C 136 52.560 52.560 53.854 -1.294 19974 14063 1 17 . 1 1 136 136 ASP CB C 136 38.180 38.180 42.088 -3.908 19974 14064 1 17 . 1 1 136 136 ASP H H 136 9.036 9.036 8.226 0.810 19974 14065 1 17 . 1 1 137 137 GLU N N 137 125.270 125.270 123.878 1.392 19974 14066 1 17 . 1 1 137 137 GLU HA H 137 3.735 3.735 4.395 -0.660 19974 14067 1 17 . 1 1 137 137 GLU C C 137 176.110 176.110 176.162 -0.052 19974 14068 1 17 . 1 1 137 137 GLU CA C 137 59.490 59.490 57.246 2.244 19974 14069 1 17 . 1 1 137 137 GLU CB C 137 32.880 32.880 30.474 2.406 19974 14070 1 17 . 1 1 137 137 GLU H H 137 8.435 8.435 9.213 -0.778 19974 14071 1 17 . 1 1 138 138 LEU N N 138 117.210 117.210 121.369 -4.159 19974 14072 1 17 . 1 1 138 138 LEU HA H 138 4.960 4.960 4.748 0.212 19974 14073 1 17 . 1 1 138 138 LEU C C 138 173.560 173.560 174.634 -1.074 19974 14074 1 17 . 1 1 138 138 LEU CA C 138 50.310 50.310 51.526 -1.216 19974 14075 1 17 . 1 1 138 138 LEU CB C 138 41.350 41.350 43.226 -1.876 19974 14076 1 17 . 1 1 138 138 LEU H H 138 8.308 8.308 7.616 0.692 19974 14077 1 17 . 1 1 139 139 PRO HA H 139 4.335 4.335 4.621 -0.286 19974 14078 1 17 . 1 1 139 139 PRO C C 139 177.700 177.700 176.591 1.109 19974 14079 1 17 . 1 1 139 139 PRO CA C 139 62.550 62.550 62.167 0.383 19974 14080 1 17 . 1 1 139 139 PRO CB C 139 32.520 32.520 33.080 -0.560 19974 14081 1 17 . 1 1 140 140 ASN N N 140 120.930 120.930 117.750 3.180 19974 14082 1 17 . 1 1 140 140 ASN HA H 140 4.730 4.730 4.462 0.268 19974 14083 1 17 . 1 1 140 140 ASN C C 140 174.460 174.460 175.383 -0.923 19974 14084 1 17 . 1 1 140 140 ASN CA C 140 52.790 52.790 53.832 -1.042 19974 14085 1 17 . 1 1 140 140 ASN CB C 140 38.520 38.520 38.072 0.448 19974 14086 1 17 . 1 1 140 140 ASN H H 140 9.213 9.213 8.636 0.577 19974 14087 1 17 . 1 1 141 141 THR N N 141 107.730 107.730 110.761 -3.031 19974 14088 1 17 . 1 1 141 141 THR HA H 141 3.853 3.853 4.232 -0.379 19974 14089 1 17 . 1 1 141 141 THR C C 141 176.410 176.410 174.765 1.645 19974 14090 1 17 . 1 1 141 141 THR CA C 141 61.560 61.560 61.356 0.204 19974 14091 1 17 . 1 1 141 141 THR CB C 141 69.450 69.450 69.948 -0.498 19974 14092 1 17 . 1 1 141 141 THR H H 141 7.003 7.003 7.346 -0.343 19974 14093 1 17 . 1 1 142 142 ILE N N 142 129.530 129.530 124.340 5.190 19974 14094 1 17 . 1 1 142 142 ILE HA H 142 3.976 3.976 4.192 -0.216 19974 14095 1 17 . 1 1 142 142 ILE C C 142 176.020 176.020 176.095 -0.075 19974 14096 1 17 . 1 1 142 142 ILE CA C 142 62.150 62.150 61.934 0.215 19974 14097 1 17 . 1 1 142 142 ILE CB C 142 37.890 37.890 38.580 -0.690 19974 14098 1 17 . 1 1 142 142 ILE H H 142 9.030 9.030 8.435 0.595 19974 14099 1 17 . 1 1 143 143 SER N N 143 124.630 124.630 122.785 1.845 19974 14100 1 17 . 1 1 143 143 SER HA H 143 4.481 4.481 4.725 -0.244 19974 14101 1 17 . 1 1 143 143 SER C C 143 172.920 172.920 172.392 0.528 19974 14102 1 17 . 1 1 143 143 SER CA C 143 57.120 57.120 57.474 -0.354 19974 14103 1 17 . 1 1 143 143 SER CB C 143 60.710 60.710 65.080 -4.370 19974 14104 1 17 . 1 1 143 143 SER H H 143 8.709 8.709 8.667 0.042 19974 14105 1 17 . 1 1 144 144 LYS N N 144 126.170 126.170 124.523 1.647 19974 14106 1 17 . 1 1 144 144 LYS HA H 144 4.954 4.954 4.755 0.199 19974 14107 1 17 . 1 1 144 144 LYS C C 144 175.910 175.910 175.440 0.470 19974 14108 1 17 . 1 1 144 144 LYS CA C 144 54.580 54.580 54.654 -0.074 19974 14109 1 17 . 1 1 144 144 LYS CB C 144 35.170 35.170 35.653 -0.483 19974 14110 1 17 . 1 1 144 144 LYS H H 144 8.043 8.043 8.389 -0.346 19974 14111 1 18 . 1 1 3 3 LYS HA H 3 4.317 4.317 4.139 0.178 19974 14112 1 18 . 1 1 3 3 LYS C C 3 176.840 176.840 177.068 -0.228 19974 14113 1 18 . 1 1 3 3 LYS CA C 3 56.180 56.180 58.003 -1.823 19974 14114 1 18 . 1 1 3 3 LYS CB C 3 33.030 33.030 32.844 0.186 19974 14115 1 18 . 1 1 4 4 ILE N N 4 122.990 122.990 113.307 9.683 19974 14116 1 18 . 1 1 4 4 ILE HA H 4 3.919 3.919 4.570 -0.651 19974 14117 1 18 . 1 1 4 4 ILE C C 4 176.120 176.120 173.580 2.540 19974 14118 1 18 . 1 1 4 4 ILE CA C 4 61.530 61.530 59.691 1.839 19974 14119 1 18 . 1 1 4 4 ILE CB C 4 38.040 38.040 40.634 -2.594 19974 14120 1 18 . 1 1 4 4 ILE H H 4 8.391 8.391 7.923 0.468 19974 14121 1 18 . 1 1 5 5 GLU N N 5 123.430 123.430 126.146 -2.716 19974 14122 1 18 . 1 1 5 5 GLU HA H 5 4.116 4.116 4.401 -0.285 19974 14123 1 18 . 1 1 5 5 GLU C C 5 175.830 175.830 177.341 -1.511 19974 14124 1 18 . 1 1 5 5 GLU CA C 5 56.900 56.900 57.207 -0.307 19974 14125 1 18 . 1 1 5 5 GLU CB C 5 29.350 29.350 30.739 -1.389 19974 14126 1 18 . 1 1 5 5 GLU H H 5 8.508 8.508 8.826 -0.318 19974 14127 1 18 . 1 1 6 6 GLU N N 6 119.490 119.490 119.645 -0.155 19974 14128 1 18 . 1 1 6 6 GLU HA H 6 4.128 4.128 4.423 -0.295 19974 14129 1 18 . 1 1 6 6 GLU C C 6 176.270 176.270 177.735 -1.465 19974 14130 1 18 . 1 1 6 6 GLU CA C 6 55.700 55.700 56.587 -0.887 19974 14131 1 18 . 1 1 6 6 GLU CB C 6 30.190 30.190 29.933 0.257 19974 14132 1 18 . 1 1 6 6 GLU H H 6 7.843 7.843 8.520 -0.677 19974 14133 1 18 . 1 1 7 7 PHE N N 7 121.090 121.090 120.057 1.033 19974 14134 1 18 . 1 1 7 7 PHE HA H 7 4.284 4.284 4.265 0.019 19974 14135 1 18 . 1 1 7 7 PHE C C 7 174.810 174.810 175.004 -0.194 19974 14136 1 18 . 1 1 7 7 PHE CA C 7 59.660 59.660 59.420 0.240 19974 14137 1 18 . 1 1 7 7 PHE CB C 7 39.990 39.990 39.469 0.521 19974 14138 1 18 . 1 1 7 7 PHE H H 7 8.092 8.092 8.305 -0.213 19974 14139 1 18 . 1 1 8 8 LEU N N 8 116.700 116.700 115.817 0.883 19974 14140 1 18 . 1 1 8 8 LEU HA H 8 4.792 4.792 4.668 0.124 19974 14141 1 18 . 1 1 8 8 LEU C C 8 176.940 176.940 176.090 0.850 19974 14142 1 18 . 1 1 8 8 LEU CA C 8 52.730 52.730 52.536 0.194 19974 14143 1 18 . 1 1 8 8 LEU CB C 8 45.650 45.650 46.266 -0.616 19974 14144 1 18 . 1 1 8 8 LEU H H 8 7.721 7.721 7.555 0.166 19974 14145 1 18 . 1 1 9 9 THR N N 9 113.700 113.700 112.924 0.776 19974 14146 1 18 . 1 1 9 9 THR HA H 9 4.397 4.397 4.542 -0.145 19974 14147 1 18 . 1 1 9 9 THR C C 9 175.410 175.410 175.724 -0.314 19974 14148 1 18 . 1 1 9 9 THR CA C 9 60.650 60.650 60.373 0.277 19974 14149 1 18 . 1 1 9 9 THR CB C 9 70.800 70.800 71.334 -0.534 19974 14150 1 18 . 1 1 9 9 THR H H 9 9.224 9.224 8.998 0.226 19974 14151 1 18 . 1 1 10 10 ALA N N 10 123.350 123.350 123.823 -0.473 19974 14152 1 18 . 1 1 10 10 ALA HA H 10 4.036 4.036 4.029 0.007 19974 14153 1 18 . 1 1 10 10 ALA C C 10 181.050 181.050 179.819 1.231 19974 14154 1 18 . 1 1 10 10 ALA CA C 10 55.500 55.500 55.369 0.131 19974 14155 1 18 . 1 1 10 10 ALA CB C 10 17.914 17.914 18.376 -0.462 19974 14156 1 18 . 1 1 10 10 ALA H H 10 8.881 8.881 8.732 0.149 19974 14157 1 18 . 1 1 11 11 GLU N N 11 117.680 117.680 119.152 -1.472 19974 14158 1 18 . 1 1 11 11 GLU HA H 11 3.949 3.949 3.966 -0.017 19974 14159 1 18 . 1 1 11 11 GLU C C 11 179.500 179.500 178.860 0.640 19974 14160 1 18 . 1 1 11 11 GLU CA C 11 59.490 59.490 59.651 -0.161 19974 14161 1 18 . 1 1 11 11 GLU CB C 11 29.120 29.120 29.268 -0.148 19974 14162 1 18 . 1 1 11 11 GLU H H 11 8.460 8.460 8.493 -0.033 19974 14163 1 18 . 1 1 12 12 GLU N N 12 121.860 121.860 119.164 2.696 19974 14164 1 18 . 1 1 12 12 GLU HA H 12 3.818 3.818 3.995 -0.177 19974 14165 1 18 . 1 1 12 12 GLU C C 12 178.130 178.130 179.324 -1.194 19974 14166 1 18 . 1 1 12 12 GLU CA C 12 59.210 59.210 59.290 -0.080 19974 14167 1 18 . 1 1 12 12 GLU CB C 12 30.800 30.800 29.619 1.181 19974 14168 1 18 . 1 1 12 12 GLU H H 12 7.698 7.698 7.514 0.184 19974 14169 1 18 . 1 1 13 13 GLU N N 13 118.170 118.170 118.243 -0.073 19974 14170 1 18 . 1 1 13 13 GLU HA H 13 3.640 3.640 4.191 -0.551 19974 14171 1 18 . 1 1 13 13 GLU C C 13 178.070 178.070 179.158 -1.088 19974 14172 1 18 . 1 1 13 13 GLU CA C 13 60.539 60.539 58.579 1.960 19974 14173 1 18 . 1 1 13 13 GLU CB C 13 29.130 29.130 29.365 -0.235 19974 14174 1 18 . 1 1 13 13 GLU H H 13 8.493 8.493 8.239 0.254 19974 14175 1 18 . 1 1 14 14 LYS N N 14 117.980 117.980 119.924 -1.944 19974 14176 1 18 . 1 1 14 14 LYS HA H 14 3.887 3.887 4.090 -0.203 19974 14177 1 18 . 1 1 14 14 LYS C C 14 177.420 177.420 178.857 -1.437 19974 14178 1 18 . 1 1 14 14 LYS CA C 14 59.350 59.350 59.205 0.145 19974 14179 1 18 . 1 1 14 14 LYS CB C 14 32.200 32.200 32.382 -0.182 19974 14180 1 18 . 1 1 14 14 LYS H H 14 7.650 7.650 8.025 -0.375 19974 14181 1 18 . 1 1 15 15 ALA N N 15 119.210 119.210 121.491 -2.281 19974 14182 1 18 . 1 1 15 15 ALA HA H 15 4.098 4.098 4.180 -0.082 19974 14183 1 18 . 1 1 15 15 ALA C C 15 180.550 180.550 179.099 1.451 19974 14184 1 18 . 1 1 15 15 ALA CA C 15 54.600 54.600 54.712 -0.113 19974 14185 1 18 . 1 1 15 15 ALA CB C 15 17.790 17.790 18.666 -0.876 19974 14186 1 18 . 1 1 15 15 ALA H H 15 7.362 7.362 7.426 -0.064 19974 14187 1 18 . 1 1 16 16 ILE N N 16 119.990 119.990 119.477 0.513 19974 14188 1 18 . 1 1 16 16 ILE HA H 16 3.493 3.493 3.667 -0.174 19974 14189 1 18 . 1 1 16 16 ILE C C 16 176.510 176.510 177.504 -0.994 19974 14190 1 18 . 1 1 16 16 ILE CA C 16 65.072 65.072 64.223 0.849 19974 14191 1 18 . 1 1 16 16 ILE CB C 16 37.580 37.580 38.380 -0.800 19974 14192 1 18 . 1 1 16 16 ILE H H 16 7.592 7.592 7.416 0.176 19974 14193 1 18 . 1 1 17 17 VAL N N 17 121.520 121.520 120.117 1.403 19974 14194 1 18 . 1 1 17 17 VAL HA H 17 3.504 3.504 3.651 -0.147 19974 14195 1 18 . 1 1 17 17 VAL C C 17 178.620 178.620 177.770 0.850 19974 14196 1 18 . 1 1 17 17 VAL CA C 17 67.324 67.324 66.358 0.966 19974 14197 1 18 . 1 1 17 17 VAL CB C 17 31.350 31.350 31.496 -0.146 19974 14198 1 18 . 1 1 17 17 VAL H H 17 8.155 8.155 7.396 0.759 19974 14199 1 18 . 1 1 18 18 ASP N N 18 120.000 120.000 118.837 1.163 19974 14200 1 18 . 1 1 18 18 ASP HA H 18 4.223 4.223 4.477 -0.254 19974 14201 1 18 . 1 1 18 18 ASP C C 18 177.980 177.980 177.407 0.573 19974 14202 1 18 . 1 1 18 18 ASP CA C 18 57.050 57.050 56.856 0.194 19974 14203 1 18 . 1 1 18 18 ASP CB C 18 39.410 39.410 40.480 -1.069 19974 14204 1 18 . 1 1 18 18 ASP H H 18 8.605 8.605 7.731 0.874 19974 14205 1 18 . 1 1 19 19 ALA N N 19 122.620 122.620 122.281 0.339 19974 14206 1 18 . 1 1 19 19 ALA HA H 19 4.194 4.194 4.071 0.123 19974 14207 1 18 . 1 1 19 19 ALA C C 19 180.720 180.720 179.403 1.317 19974 14208 1 18 . 1 1 19 19 ALA CA C 19 54.970 54.970 54.806 0.164 19974 14209 1 18 . 1 1 19 19 ALA CB C 19 17.850 17.850 18.727 -0.877 19974 14210 1 18 . 1 1 19 19 ALA H H 19 7.702 7.702 7.148 0.554 19974 14211 1 18 . 1 1 20 20 ILE N N 20 122.620 122.620 118.575 4.045 19974 14212 1 18 . 1 1 20 20 ILE HA H 20 3.309 3.309 3.667 -0.358 19974 14213 1 18 . 1 1 20 20 ILE C C 20 176.740 176.740 178.175 -1.435 19974 14214 1 18 . 1 1 20 20 ILE CA C 20 66.830 66.830 63.778 3.052 19974 14215 1 18 . 1 1 20 20 ILE CB C 20 38.140 38.140 36.631 1.509 19974 14216 1 18 . 1 1 20 20 ILE H H 20 8.234 8.234 7.681 0.553 19974 14217 1 18 . 1 1 21 21 ARG N N 21 119.660 119.660 118.822 0.838 19974 14218 1 18 . 1 1 21 21 ARG HA H 21 3.899 3.899 3.989 -0.090 19974 14219 1 18 . 1 1 21 21 ARG C C 21 179.540 179.540 178.064 1.476 19974 14220 1 18 . 1 1 21 21 ARG CA C 21 58.990 58.990 59.718 -0.728 19974 14221 1 18 . 1 1 21 21 ARG CB C 21 29.020 29.020 29.898 -0.877 19974 14222 1 18 . 1 1 21 21 ARG H H 21 8.212 8.212 7.713 0.499 19974 14223 1 18 . 1 1 22 22 ASP N N 22 118.640 118.640 117.081 1.559 19974 14224 1 18 . 1 1 22 22 ASP HA H 22 4.239 4.239 4.527 -0.288 19974 14225 1 18 . 1 1 22 22 ASP C C 22 179.190 179.190 177.726 1.464 19974 14226 1 18 . 1 1 22 22 ASP CA C 22 57.270 57.270 56.141 1.129 19974 14227 1 18 . 1 1 22 22 ASP CB C 22 39.770 39.770 40.897 -1.127 19974 14228 1 18 . 1 1 22 22 ASP H H 22 8.137 8.137 7.691 0.446 19974 14229 1 18 . 1 1 23 23 ALA N N 23 126.120 126.120 124.102 2.018 19974 14230 1 18 . 1 1 23 23 ALA HA H 23 4.207 4.207 4.064 0.143 19974 14231 1 18 . 1 1 23 23 ALA C C 23 181.060 181.060 179.371 1.689 19974 14232 1 18 . 1 1 23 23 ALA CA C 23 55.430 55.430 54.816 0.613 19974 14233 1 18 . 1 1 23 23 ALA CB C 23 18.690 18.690 18.462 0.228 19974 14234 1 18 . 1 1 23 23 ALA H H 23 8.500 8.500 7.393 1.107 19974 14235 1 18 . 1 1 24 24 GLU N N 24 115.460 115.460 117.009 -1.549 19974 14236 1 18 . 1 1 24 24 GLU HA H 24 4.213 4.213 4.091 0.122 19974 14237 1 18 . 1 1 24 24 GLU C C 24 176.390 176.390 177.408 -1.018 19974 14238 1 18 . 1 1 24 24 GLU CA C 24 58.180 58.180 58.692 -0.512 19974 14239 1 18 . 1 1 24 24 GLU CB C 24 28.200 28.200 29.655 -1.455 19974 14240 1 18 . 1 1 24 24 GLU H H 24 8.451 8.451 8.288 0.163 19974 14241 1 18 . 1 1 25 25 LYS N N 25 115.790 115.790 115.498 0.292 19974 14242 1 18 . 1 1 25 25 LYS HA H 25 3.739 3.739 4.277 -0.538 19974 14243 1 18 . 1 1 25 25 LYS C C 25 176.020 176.020 175.890 0.130 19974 14244 1 18 . 1 1 25 25 LYS CA C 25 56.220 56.220 56.422 -0.202 19974 14245 1 18 . 1 1 25 25 LYS CB C 25 32.070 32.070 32.292 -0.222 19974 14246 1 18 . 1 1 25 25 LYS H H 25 7.083 7.083 7.315 -0.232 19974 14247 1 18 . 1 1 26 26 ASN N N 26 115.060 115.060 116.948 -1.888 19974 14248 1 18 . 1 1 26 26 ASN HA H 26 4.749 4.749 4.814 -0.065 19974 14249 1 18 . 1 1 26 26 ASN C C 26 174.280 174.280 174.077 0.203 19974 14250 1 18 . 1 1 26 26 ASN CA C 26 53.050 53.050 53.480 -0.430 19974 14251 1 18 . 1 1 26 26 ASN CB C 26 40.410 40.410 41.442 -1.032 19974 14252 1 18 . 1 1 26 26 ASN H H 26 7.931 7.931 8.101 -0.170 19974 14253 1 18 . 1 1 27 27 THR N N 27 113.430 113.430 113.193 0.237 19974 14254 1 18 . 1 1 27 27 THR HA H 27 5.507 5.507 5.048 0.459 19974 14255 1 18 . 1 1 27 27 THR C C 27 170.850 170.850 173.032 -2.182 19974 14256 1 18 . 1 1 27 27 THR CA C 27 57.130 57.130 60.674 -3.544 19974 14257 1 18 . 1 1 27 27 THR CB C 27 70.200 70.200 70.256 -0.056 19974 14258 1 18 . 1 1 27 27 THR H H 27 7.619 7.619 7.611 0.008 19974 14259 1 18 . 1 1 28 28 SER N N 28 119.450 119.450 120.879 -1.429 19974 14260 1 18 . 1 1 28 28 SER HA H 28 4.773 4.773 4.683 0.090 19974 14261 1 18 . 1 1 28 28 SER C C 28 176.330 176.330 175.060 1.270 19974 14262 1 18 . 1 1 28 28 SER CA C 28 58.913 58.913 58.307 0.606 19974 14263 1 18 . 1 1 28 28 SER CB C 28 64.360 64.360 63.436 0.924 19974 14264 1 18 . 1 1 28 28 SER H H 28 7.706 7.706 8.767 -1.061 19974 14265 1 18 . 1 1 29 29 GLY N N 29 111.350 111.350 108.205 3.145 19974 14266 1 18 . 1 1 29 29 GLY C C 29 171.210 171.210 174.047 -2.837 19974 14267 1 18 . 1 1 29 29 GLY CA C 29 44.643 44.643 44.308 0.335 19974 14268 1 18 . 1 1 29 29 GLY H H 29 9.011 9.011 7.401 1.610 19974 14269 1 18 . 1 1 30 30 GLU N N 30 120.620 120.620 119.928 0.692 19974 14270 1 18 . 1 1 30 30 GLU HA H 30 4.867 4.867 4.800 0.067 19974 14271 1 18 . 1 1 30 30 GLU C C 30 174.500 174.500 174.890 -0.390 19974 14272 1 18 . 1 1 30 30 GLU CA C 30 54.320 54.320 55.423 -1.103 19974 14273 1 18 . 1 1 30 30 GLU CB C 30 34.030 34.030 32.945 1.085 19974 14274 1 18 . 1 1 30 30 GLU H H 30 6.897 6.897 8.684 -1.787 19974 14275 1 18 . 1 1 31 31 ILE N N 31 121.650 121.650 125.031 -3.381 19974 14276 1 18 . 1 1 31 31 ILE HA H 31 5.171 5.171 4.905 0.266 19974 14277 1 18 . 1 1 31 31 ILE C C 31 175.550 175.550 174.902 0.648 19974 14278 1 18 . 1 1 31 31 ILE CA C 31 59.740 59.740 60.265 -0.525 19974 14279 1 18 . 1 1 31 31 ILE CB C 31 42.520 42.520 40.477 2.043 19974 14280 1 18 . 1 1 31 31 ILE H H 31 8.546 8.546 8.778 -0.232 19974 14281 1 18 . 1 1 32 32 ARG N N 32 121.690 121.690 124.288 -2.598 19974 14282 1 18 . 1 1 32 32 ARG HA H 32 4.951 4.951 4.769 0.182 19974 14283 1 18 . 1 1 32 32 ARG C C 32 173.740 173.740 173.661 0.079 19974 14284 1 18 . 1 1 32 32 ARG CA C 32 55.220 55.220 54.700 0.520 19974 14285 1 18 . 1 1 32 32 ARG CB C 32 34.720 34.720 35.138 -0.417 19974 14286 1 18 . 1 1 32 32 ARG H H 32 8.751 8.751 8.715 0.036 19974 14287 1 18 . 1 1 33 33 VAL N N 33 120.770 120.770 122.900 -2.130 19974 14288 1 18 . 1 1 33 33 VAL HA H 33 4.972 4.972 4.603 0.369 19974 14289 1 18 . 1 1 33 33 VAL C C 33 173.790 173.790 173.883 -0.093 19974 14290 1 18 . 1 1 33 33 VAL CA C 33 59.700 59.700 61.270 -1.570 19974 14291 1 18 . 1 1 33 33 VAL CB C 33 34.820 34.820 34.231 0.589 19974 14292 1 18 . 1 1 33 33 VAL H H 33 8.617 8.617 8.817 -0.200 19974 14293 1 18 . 1 1 34 34 HIS N N 34 125.000 125.000 126.400 -1.400 19974 14294 1 18 . 1 1 34 34 HIS HA H 34 5.743 5.743 5.130 0.613 19974 14295 1 18 . 1 1 34 34 HIS C C 34 172.790 172.790 173.212 -0.422 19974 14296 1 18 . 1 1 34 34 HIS CA C 34 54.370 54.370 54.020 0.350 19974 14297 1 18 . 1 1 34 34 HIS CB C 34 36.840 36.840 32.077 4.763 19974 14298 1 18 . 1 1 34 34 HIS H H 34 8.552 8.552 9.192 -0.640 19974 14299 1 18 . 1 1 35 35 LEU N N 35 124.400 124.400 128.410 -4.010 19974 14300 1 18 . 1 1 35 35 LEU HA H 35 4.800 4.800 4.652 0.148 19974 14301 1 18 . 1 1 35 35 LEU C C 35 174.490 174.490 174.236 0.254 19974 14302 1 18 . 1 1 35 35 LEU CA C 35 52.190 52.190 53.994 -1.804 19974 14303 1 18 . 1 1 35 35 LEU CB C 35 44.880 44.880 44.641 0.239 19974 14304 1 18 . 1 1 35 35 LEU H H 35 8.006 8.006 8.254 -0.248 19974 14305 1 18 . 1 1 36 36 GLU N N 36 116.112 116.112 124.927 -8.815 19974 14306 1 18 . 1 1 36 36 GLU HA H 36 4.573 4.573 4.510 0.063 19974 14307 1 18 . 1 1 36 36 GLU C C 36 174.350 174.350 175.819 -1.469 19974 14308 1 18 . 1 1 36 36 GLU CA C 36 54.130 54.130 54.740 -0.610 19974 14309 1 18 . 1 1 36 36 GLU CB C 36 31.960 31.960 33.187 -1.227 19974 14310 1 18 . 1 1 36 36 GLU H H 36 8.235 8.235 8.691 -0.456 19974 14311 1 18 . 1 1 37 37 LYS N N 37 121.210 121.210 120.524 0.686 19974 14312 1 18 . 1 1 37 37 LYS HA H 37 3.731 3.731 4.134 -0.403 19974 14313 1 18 . 1 1 37 37 LYS C C 37 175.200 175.200 176.401 -1.201 19974 14314 1 18 . 1 1 37 37 LYS CA C 37 61.410 61.410 59.362 2.048 19974 14315 1 18 . 1 1 37 37 LYS CB C 37 33.090 33.090 33.145 -0.055 19974 14316 1 18 . 1 1 37 37 LYS H H 37 9.055 9.055 8.488 0.567 19974 14317 1 18 . 1 1 38 38 THR N N 38 107.310 107.310 110.494 -3.184 19974 14318 1 18 . 1 1 38 38 THR HA H 38 4.448 4.448 4.641 -0.193 19974 14319 1 18 . 1 1 38 38 THR C C 38 171.420 171.420 172.560 -1.140 19974 14320 1 18 . 1 1 38 38 THR CA C 38 59.530 59.530 60.776 -1.246 19974 14321 1 18 . 1 1 38 38 THR CB C 38 69.570 69.570 69.853 -0.283 19974 14322 1 18 . 1 1 38 38 THR H H 38 7.480 7.480 7.935 -0.455 19974 14323 1 18 . 1 1 39 39 SER N N 39 116.050 116.050 122.177 -6.127 19974 14324 1 18 . 1 1 39 39 SER HA H 39 4.641 4.641 4.836 -0.195 19974 14325 1 18 . 1 1 39 39 SER C C 39 175.590 175.590 174.551 1.039 19974 14326 1 18 . 1 1 39 39 SER CA C 39 57.340 57.340 57.351 -0.011 19974 14327 1 18 . 1 1 39 39 SER CB C 39 64.560 64.560 64.678 -0.118 19974 14328 1 18 . 1 1 39 39 SER H H 39 8.177 8.177 8.868 -0.691 19974 14329 1 18 . 1 1 40 40 GLU N N 40 124.630 124.630 123.755 0.875 19974 14330 1 18 . 1 1 40 40 GLU HA H 40 4.118 4.118 4.277 -0.159 19974 14331 1 18 . 1 1 40 40 GLU C C 40 176.520 176.520 177.117 -0.597 19974 14332 1 18 . 1 1 40 40 GLU CA C 40 58.100 58.100 57.477 0.623 19974 14333 1 18 . 1 1 40 40 GLU CB C 40 29.950 29.950 30.142 -0.192 19974 14334 1 18 . 1 1 40 40 GLU H H 40 8.905 8.905 8.690 0.215 19974 14335 1 18 . 1 1 41 41 ILE N N 41 113.290 113.290 112.632 0.658 19974 14336 1 18 . 1 1 41 41 ILE HA H 41 4.460 4.460 4.426 0.034 19974 14337 1 18 . 1 1 41 41 ILE C C 41 175.350 175.350 174.811 0.539 19974 14338 1 18 . 1 1 41 41 ILE CA C 41 59.490 59.490 59.014 0.476 19974 14339 1 18 . 1 1 41 41 ILE CB C 41 40.150 40.150 40.295 -0.145 19974 14340 1 18 . 1 1 41 41 ILE H H 41 7.446 7.446 7.377 0.069 19974 14341 1 18 . 1 1 42 42 ASP N N 42 122.230 122.230 121.559 0.671 19974 14342 1 18 . 1 1 42 42 ASP HA H 42 4.280 4.280 4.631 -0.351 19974 14343 1 18 . 1 1 42 42 ASP C C 42 177.430 177.430 177.542 -0.112 19974 14344 1 18 . 1 1 42 42 ASP CA C 42 55.360 55.360 54.815 0.545 19974 14345 1 18 . 1 1 42 42 ASP CB C 42 42.690 42.690 40.926 1.764 19974 14346 1 18 . 1 1 42 42 ASP H H 42 8.271 8.271 8.577 -0.306 19974 14347 1 18 . 1 1 43 43 VAL N N 43 122.150 122.150 124.217 -2.067 19974 14348 1 18 . 1 1 43 43 VAL HA H 43 3.569 3.569 3.504 0.065 19974 14349 1 18 . 1 1 43 43 VAL C C 43 175.780 175.780 177.769 -1.989 19974 14350 1 18 . 1 1 43 43 VAL CA C 43 65.420 65.420 66.341 -0.921 19974 14351 1 18 . 1 1 43 43 VAL CB C 43 31.300 31.300 32.075 -0.776 19974 14352 1 18 . 1 1 43 43 VAL H H 43 8.160 8.160 8.586 -0.426 19974 14353 1 18 . 1 1 44 44 PHE N N 44 121.770 121.770 120.532 1.238 19974 14354 1 18 . 1 1 44 44 PHE HA H 44 3.892 3.892 4.156 -0.264 19974 14355 1 18 . 1 1 44 44 PHE C C 44 177.140 177.140 176.723 0.417 19974 14356 1 18 . 1 1 44 44 PHE CA C 44 62.190 62.190 61.434 0.755 19974 14357 1 18 . 1 1 44 44 PHE CB C 44 38.350 38.350 38.356 -0.006 19974 14358 1 18 . 1 1 44 44 PHE H H 44 8.101 8.101 8.183 -0.082 19974 14359 1 18 . 1 1 45 45 ASP N N 45 119.540 119.540 118.624 0.916 19974 14360 1 18 . 1 1 45 45 ASP HA H 45 4.106 4.106 4.110 -0.004 19974 14361 1 18 . 1 1 45 45 ASP C C 45 178.380 178.380 178.226 0.154 19974 14362 1 18 . 1 1 45 45 ASP CA C 45 57.010 57.010 57.440 -0.430 19974 14363 1 18 . 1 1 45 45 ASP CB C 45 37.900 37.900 40.537 -2.637 19974 14364 1 18 . 1 1 45 45 ASP H H 45 7.317 7.317 8.396 -1.079 19974 14365 1 18 . 1 1 46 46 ARG N N 46 119.920 119.920 119.943 -0.023 19974 14366 1 18 . 1 1 46 46 ARG HA H 46 3.733 3.733 3.819 -0.086 19974 14367 1 18 . 1 1 46 46 ARG C C 46 176.750 176.750 178.005 -1.255 19974 14368 1 18 . 1 1 46 46 ARG CA C 46 57.136 57.136 59.252 -2.116 19974 14369 1 18 . 1 1 46 46 ARG CB C 46 28.590 28.590 30.107 -1.517 19974 14370 1 18 . 1 1 46 46 ARG H H 46 8.246 8.246 8.124 0.122 19974 14371 1 18 . 1 1 47 47 ALA N N 47 120.910 120.910 121.442 -0.532 19974 14372 1 18 . 1 1 47 47 ALA HA H 47 3.048 3.048 3.639 -0.591 19974 14373 1 18 . 1 1 47 47 ALA C C 47 177.810 177.810 178.834 -1.024 19974 14374 1 18 . 1 1 47 47 ALA CA C 47 55.010 55.010 54.886 0.124 19974 14375 1 18 . 1 1 47 47 ALA CB C 47 17.400 17.400 18.099 -0.699 19974 14376 1 18 . 1 1 47 47 ALA H H 47 7.803 7.803 7.967 -0.164 19974 14377 1 18 . 1 1 48 48 MET N N 48 115.800 115.800 118.478 -2.678 19974 14378 1 18 . 1 1 48 48 MET HA H 48 2.568 2.568 3.340 -0.772 19974 14379 1 18 . 1 1 48 48 MET C C 48 177.790 177.790 177.667 0.123 19974 14380 1 18 . 1 1 48 48 MET CA C 48 58.910 58.910 59.130 -0.220 19974 14381 1 18 . 1 1 48 48 MET CB C 48 32.750 32.750 32.014 0.736 19974 14382 1 18 . 1 1 48 48 MET H H 48 7.148 7.148 7.461 -0.313 19974 14383 1 18 . 1 1 49 49 ASP N N 49 121.130 121.130 119.595 1.535 19974 14384 1 18 . 1 1 49 49 ASP HA H 49 4.326 4.326 4.274 0.052 19974 14385 1 18 . 1 1 49 49 ASP C C 49 178.960 178.960 178.536 0.424 19974 14386 1 18 . 1 1 49 49 ASP CA C 49 57.330 57.330 57.731 -0.401 19974 14387 1 18 . 1 1 49 49 ASP CB C 49 40.180 40.180 40.938 -0.758 19974 14388 1 18 . 1 1 49 49 ASP H H 49 7.656 7.656 7.939 -0.283 19974 14389 1 18 . 1 1 50 50 VAL N N 50 122.030 122.030 119.884 2.146 19974 14390 1 18 . 1 1 50 50 VAL HA H 50 3.150 3.150 3.517 -0.367 19974 14391 1 18 . 1 1 50 50 VAL C C 50 176.610 176.610 177.663 -1.053 19974 14392 1 18 . 1 1 50 50 VAL CA C 50 66.980 66.980 66.355 0.625 19974 14393 1 18 . 1 1 50 50 VAL CB C 50 30.450 30.450 31.587 -1.137 19974 14394 1 18 . 1 1 50 50 VAL H H 50 8.506 8.506 8.248 0.258 19974 14395 1 18 . 1 1 51 51 PHE N N 51 120.010 120.010 120.591 -0.581 19974 14396 1 18 . 1 1 51 51 PHE HA H 51 3.701 3.701 4.128 -0.427 19974 14397 1 18 . 1 1 51 51 PHE C C 51 176.990 176.990 177.019 -0.029 19974 14398 1 18 . 1 1 51 51 PHE CA C 51 61.610 61.610 61.566 0.044 19974 14399 1 18 . 1 1 51 51 PHE CB C 51 39.350 39.350 39.306 0.044 19974 14400 1 18 . 1 1 51 51 PHE H H 51 8.236 8.236 8.054 0.182 19974 14401 1 18 . 1 1 52 52 HIS N N 52 114.400 114.400 116.585 -2.185 19974 14402 1 18 . 1 1 52 52 HIS HA H 52 4.322 4.322 4.389 -0.067 19974 14403 1 18 . 1 1 52 52 HIS C C 52 179.389 179.389 178.439 0.950 19974 14404 1 18 . 1 1 52 52 HIS CA C 52 59.670 59.670 60.033 -0.363 19974 14405 1 18 . 1 1 52 52 HIS CB C 52 28.380 28.380 29.990 -1.610 19974 14406 1 18 . 1 1 52 52 HIS H H 52 7.595 7.595 8.295 -0.700 19974 14407 1 18 . 1 1 53 53 ASN N N 53 125.300 125.300 119.733 5.567 19974 14408 1 18 . 1 1 53 53 ASN HA H 53 4.346 4.346 4.540 -0.194 19974 14409 1 18 . 1 1 53 53 ASN C C 53 177.560 177.560 177.010 0.550 19974 14410 1 18 . 1 1 53 53 ASN CA C 53 56.260 56.260 55.579 0.681 19974 14411 1 18 . 1 1 53 53 ASN CB C 53 38.020 38.020 38.228 -0.208 19974 14412 1 18 . 1 1 53 53 ASN H H 53 9.216 9.216 8.670 0.546 19974 14413 1 18 . 1 1 54 54 LEU N N 54 117.070 117.070 117.656 -0.586 19974 14414 1 18 . 1 1 54 54 LEU HA H 54 4.114 4.114 4.295 -0.181 19974 14415 1 18 . 1 1 54 54 LEU C C 54 175.780 175.780 175.833 -0.053 19974 14416 1 18 . 1 1 54 54 LEU CA C 54 54.400 54.400 55.014 -0.614 19974 14417 1 18 . 1 1 54 54 LEU CB C 54 42.810 42.810 41.837 0.973 19974 14418 1 18 . 1 1 54 54 LEU H H 54 8.270 8.270 7.737 0.533 19974 14419 1 18 . 1 1 55 55 LYS N N 55 116.580 116.580 115.214 1.366 19974 14420 1 18 . 1 1 55 55 LYS HA H 55 3.954 3.954 3.933 0.021 19974 14421 1 18 . 1 1 55 55 LYS C C 55 177.650 177.650 177.408 0.242 19974 14422 1 18 . 1 1 55 55 LYS CA C 55 56.630 56.630 57.225 -0.595 19974 14423 1 18 . 1 1 55 55 LYS CB C 55 28.110 28.110 29.880 -1.770 19974 14424 1 18 . 1 1 55 55 LYS H H 55 7.953 7.953 7.307 0.646 19974 14425 1 18 . 1 1 56 56 MET N N 56 114.460 114.460 116.591 -2.131 19974 14426 1 18 . 1 1 56 56 MET HA H 56 3.624 3.624 4.011 -0.387 19974 14427 1 18 . 1 1 56 56 MET C C 56 174.010 174.010 176.946 -2.936 19974 14428 1 18 . 1 1 56 56 MET CA C 56 56.800 56.800 58.597 -1.797 19974 14429 1 18 . 1 1 56 56 MET CB C 56 28.620 28.620 31.868 -3.248 19974 14430 1 18 . 1 1 56 56 MET H H 56 7.496 7.496 7.227 0.269 19974 14431 1 18 . 1 1 57 57 ASP N N 57 113.610 113.610 117.857 -4.247 19974 14432 1 18 . 1 1 57 57 ASP HA H 57 4.490 4.490 4.494 -0.004 19974 14433 1 18 . 1 1 57 57 ASP C C 57 176.060 176.060 176.726 -0.666 19974 14434 1 18 . 1 1 57 57 ASP CA C 57 53.030 53.030 55.743 -2.713 19974 14435 1 18 . 1 1 57 57 ASP CB C 57 38.940 38.940 39.502 -0.562 19974 14436 1 18 . 1 1 57 57 ASP H H 57 8.921 8.921 8.392 0.529 19974 14437 1 18 . 1 1 58 58 ASN N N 58 119.880 119.880 117.550 2.330 19974 14438 1 18 . 1 1 58 58 ASN HA H 58 4.885 4.885 4.525 0.360 19974 14439 1 18 . 1 1 58 58 ASN C C 58 174.060 174.060 175.445 -1.385 19974 14440 1 18 . 1 1 58 58 ASN CA C 58 52.190 52.190 54.111 -1.921 19974 14441 1 18 . 1 1 58 58 ASN CB C 58 37.230 37.230 38.646 -1.416 19974 14442 1 18 . 1 1 58 58 ASN H H 58 7.070 7.070 7.536 -0.466 19974 14443 1 18 . 1 1 59 59 THR N N 59 108.570 108.570 114.001 -5.431 19974 14444 1 18 . 1 1 59 59 THR HA H 59 4.449 4.449 4.269 0.180 19974 14445 1 18 . 1 1 59 59 THR C C 59 175.810 175.810 176.076 -0.266 19974 14446 1 18 . 1 1 59 59 THR CA C 59 59.600 59.600 62.313 -2.713 19974 14447 1 18 . 1 1 59 59 THR CB C 59 70.900 70.900 69.790 1.110 19974 14448 1 18 . 1 1 59 59 THR H H 59 7.636 7.636 7.278 0.358 19974 14449 1 18 . 1 1 60 60 LYS N N 60 126.400 126.400 128.369 -1.969 19974 14450 1 18 . 1 1 60 60 LYS HA H 60 3.923 3.923 4.142 -0.219 19974 14451 1 18 . 1 1 60 60 LYS C C 60 179.030 179.030 177.515 1.515 19974 14452 1 18 . 1 1 60 60 LYS CA C 60 59.600 59.600 58.776 0.824 19974 14453 1 18 . 1 1 60 60 LYS CB C 60 32.480 32.480 32.593 -0.113 19974 14454 1 18 . 1 1 60 60 LYS H H 60 10.322 10.322 9.038 1.284 19974 14455 1 18 . 1 1 61 61 LEU N N 61 114.780 114.780 117.094 -2.314 19974 14456 1 18 . 1 1 61 61 LEU HA H 61 4.430 4.430 4.443 -0.013 19974 14457 1 18 . 1 1 61 61 LEU C C 61 175.660 175.660 176.026 -0.366 19974 14458 1 18 . 1 1 61 61 LEU CA C 61 52.830 52.830 54.004 -1.173 19974 14459 1 18 . 1 1 61 61 LEU CB C 61 40.470 40.470 41.943 -1.473 19974 14460 1 18 . 1 1 61 61 LEU H H 61 8.555 8.555 7.525 1.030 19974 14461 1 18 . 1 1 62 62 GLN N N 62 116.490 116.490 113.945 2.545 19974 14462 1 18 . 1 1 62 62 GLN HA H 62 3.715 3.715 4.031 -0.316 19974 14463 1 18 . 1 1 62 62 GLN C C 62 175.060 175.060 175.052 0.008 19974 14464 1 18 . 1 1 62 62 GLN CA C 62 56.440 56.440 56.885 -0.445 19974 14465 1 18 . 1 1 62 62 GLN CB C 62 26.480 26.480 26.386 0.094 19974 14466 1 18 . 1 1 62 62 GLN H H 62 7.526 7.526 7.571 -0.045 19974 14467 1 18 . 1 1 63 63 ASN N N 63 114.760 114.760 115.988 -1.228 19974 14468 1 18 . 1 1 63 63 ASN HA H 63 4.352 4.352 4.813 -0.461 19974 14469 1 18 . 1 1 63 63 ASN C C 63 173.790 173.790 174.504 -0.714 19974 14470 1 18 . 1 1 63 63 ASN CA C 63 50.680 50.680 52.242 -1.562 19974 14471 1 18 . 1 1 63 63 ASN CB C 63 35.110 35.110 38.969 -3.859 19974 14472 1 18 . 1 1 63 63 ASN H H 63 8.243 8.243 7.694 0.549 19974 14473 1 18 . 1 1 64 64 GLY N N 64 105.820 105.820 108.021 -2.201 19974 14474 1 18 . 1 1 64 64 GLY C C 64 172.650 172.650 172.685 -0.035 19974 14475 1 18 . 1 1 64 64 GLY CA C 64 44.136 44.136 44.397 -0.261 19974 14476 1 18 . 1 1 64 64 GLY H H 64 8.618 8.618 7.837 0.781 19974 14477 1 18 . 1 1 65 65 VAL N N 65 120.490 120.490 125.894 -5.404 19974 14478 1 18 . 1 1 65 65 VAL HA H 65 4.814 4.814 4.600 0.214 19974 14479 1 18 . 1 1 65 65 VAL C C 65 172.610 172.610 174.125 -1.515 19974 14480 1 18 . 1 1 65 65 VAL CA C 65 60.890 60.890 61.535 -0.645 19974 14481 1 18 . 1 1 65 65 VAL CB C 65 35.570 35.570 34.444 1.126 19974 14482 1 18 . 1 1 65 65 VAL H H 65 9.053 9.053 9.322 -0.269 19974 14483 1 18 . 1 1 66 66 LEU N N 66 127.740 127.740 128.917 -1.177 19974 14484 1 18 . 1 1 66 66 LEU HA H 66 5.097 5.097 5.420 -0.323 19974 14485 1 18 . 1 1 66 66 LEU C C 66 175.120 175.120 175.042 0.078 19974 14486 1 18 . 1 1 66 66 LEU CA C 66 51.870 51.870 53.241 -1.371 19974 14487 1 18 . 1 1 66 66 LEU CB C 66 47.520 47.520 46.400 1.120 19974 14488 1 18 . 1 1 66 66 LEU H H 66 9.245 9.245 9.115 0.130 19974 14489 1 18 . 1 1 67 67 ILE N N 67 126.030 126.030 127.683 -1.653 19974 14490 1 18 . 1 1 67 67 ILE HA H 67 4.484 4.484 4.495 -0.011 19974 14491 1 18 . 1 1 67 67 ILE C C 67 173.290 173.290 174.898 -1.608 19974 14492 1 18 . 1 1 67 67 ILE CA C 67 61.090 61.090 60.817 0.273 19974 14493 1 18 . 1 1 67 67 ILE CB C 67 37.480 37.480 37.619 -0.139 19974 14494 1 18 . 1 1 67 67 ILE H H 67 8.974 8.974 9.227 -0.253 19974 14495 1 18 . 1 1 68 68 TYR N N 68 129.400 129.400 130.310 -0.910 19974 14496 1 18 . 1 1 68 68 TYR HA H 68 4.887 4.887 5.168 -0.281 19974 14497 1 18 . 1 1 68 68 TYR C C 68 174.140 174.140 174.055 0.085 19974 14498 1 18 . 1 1 68 68 TYR CA C 68 56.990 56.990 57.689 -0.699 19974 14499 1 18 . 1 1 68 68 TYR CB C 68 40.790 40.790 39.684 1.106 19974 14500 1 18 . 1 1 68 68 TYR H H 68 8.999 8.999 9.092 -0.093 19974 14501 1 18 . 1 1 69 69 VAL N N 69 126.790 126.790 128.577 -1.787 19974 14502 1 18 . 1 1 69 69 VAL HA H 69 4.401 4.401 4.669 -0.268 19974 14503 1 18 . 1 1 69 69 VAL C C 69 172.350 172.350 173.602 -1.252 19974 14504 1 18 . 1 1 69 69 VAL CA C 69 60.810 60.810 60.677 0.133 19974 14505 1 18 . 1 1 69 69 VAL CB C 69 34.360 34.360 35.097 -0.737 19974 14506 1 18 . 1 1 69 69 VAL H H 69 8.378 8.378 8.877 -0.498 19974 14507 1 18 . 1 1 70 70 ALA N N 70 129.770 129.770 130.094 -0.324 19974 14508 1 18 . 1 1 70 70 ALA HA H 70 4.592 4.592 5.117 -0.525 19974 14509 1 18 . 1 1 70 70 ALA C C 70 177.620 177.620 178.025 -0.405 19974 14510 1 18 . 1 1 70 70 ALA CA C 70 49.210 49.210 50.029 -0.819 19974 14511 1 18 . 1 1 70 70 ALA CB C 70 17.470 17.470 19.328 -1.858 19974 14512 1 18 . 1 1 70 70 ALA H H 70 8.078 8.078 9.117 -1.039 19974 14513 1 18 . 1 1 71 71 VAL N N 71 120.880 120.880 120.003 0.877 19974 14514 1 18 . 1 1 71 71 VAL HA H 71 2.847 2.847 3.742 -0.895 19974 14515 1 18 . 1 1 71 71 VAL C C 71 178.310 178.310 176.788 1.522 19974 14516 1 18 . 1 1 71 71 VAL CA C 71 66.030 66.030 65.205 0.825 19974 14517 1 18 . 1 1 71 71 VAL CB C 71 32.110 32.110 31.528 0.582 19974 14518 1 18 . 1 1 71 71 VAL H H 71 8.597 8.597 8.831 -0.234 19974 14519 1 18 . 1 1 72 72 GLU N N 72 119.350 119.350 119.933 -0.583 19974 14520 1 18 . 1 1 72 72 GLU HA H 72 3.955 3.955 4.255 -0.300 19974 14521 1 18 . 1 1 72 72 GLU C C 72 177.650 177.650 177.857 -0.207 19974 14522 1 18 . 1 1 72 72 GLU CA C 72 59.260 59.260 58.572 0.688 19974 14523 1 18 . 1 1 72 72 GLU CB C 72 28.940 28.940 29.607 -0.667 19974 14524 1 18 . 1 1 72 72 GLU H H 72 9.107 9.107 7.939 1.168 19974 14525 1 18 . 1 1 73 73 ASP N N 73 115.250 115.250 116.997 -1.747 19974 14526 1 18 . 1 1 73 73 ASP HA H 73 4.544 4.544 4.736 -0.192 19974 14527 1 18 . 1 1 73 73 ASP C C 73 175.460 175.460 176.259 -0.799 19974 14528 1 18 . 1 1 73 73 ASP CA C 73 54.030 54.030 54.158 -0.128 19974 14529 1 18 . 1 1 73 73 ASP CB C 73 41.350 41.350 41.520 -0.170 19974 14530 1 18 . 1 1 73 73 ASP H H 73 7.039 7.039 8.050 -1.011 19974 14531 1 18 . 1 1 74 74 LYS N N 74 115.850 115.850 117.884 -2.034 19974 14532 1 18 . 1 1 74 74 LYS HA H 74 3.502 3.502 4.004 -0.502 19974 14533 1 18 . 1 1 74 74 LYS C C 74 174.920 174.920 175.142 -0.222 19974 14534 1 18 . 1 1 74 74 LYS CA C 74 57.180 57.180 57.510 -0.330 19974 14535 1 18 . 1 1 74 74 LYS CB C 74 29.100 29.100 31.075 -1.975 19974 14536 1 18 . 1 1 74 74 LYS H H 74 8.012 8.012 7.896 0.116 19974 14537 1 18 . 1 1 75 75 THR N N 75 111.710 111.710 116.547 -4.837 19974 14538 1 18 . 1 1 75 75 THR HA H 75 4.725 4.725 4.744 -0.019 19974 14539 1 18 . 1 1 75 75 THR C C 75 172.150 172.150 172.941 -0.791 19974 14540 1 18 . 1 1 75 75 THR CA C 75 60.740 60.740 61.457 -0.717 19974 14541 1 18 . 1 1 75 75 THR CB C 75 70.900 70.900 70.558 0.342 19974 14542 1 18 . 1 1 75 75 THR H H 75 7.763 7.763 7.683 0.080 19974 14543 1 18 . 1 1 76 76 PHE N N 76 117.220 117.220 125.214 -7.994 19974 14544 1 18 . 1 1 76 76 PHE HA H 76 5.968 5.968 5.619 0.349 19974 14545 1 18 . 1 1 76 76 PHE C C 76 173.250 173.250 173.738 -0.488 19974 14546 1 18 . 1 1 76 76 PHE CA C 76 54.920 54.920 55.302 -0.382 19974 14547 1 18 . 1 1 76 76 PHE CB C 76 42.780 42.780 41.246 1.534 19974 14548 1 18 . 1 1 76 76 PHE H H 76 7.992 7.992 8.248 -0.256 19974 14549 1 18 . 1 1 77 77 VAL N N 77 120.030 120.030 121.720 -1.690 19974 14550 1 18 . 1 1 77 77 VAL HA H 77 4.015 4.015 4.502 -0.487 19974 14551 1 18 . 1 1 77 77 VAL C C 77 173.310 173.310 174.787 -1.477 19974 14552 1 18 . 1 1 77 77 VAL CA C 77 60.840 60.840 60.667 0.173 19974 14553 1 18 . 1 1 77 77 VAL CB C 77 37.410 37.410 35.835 1.575 19974 14554 1 18 . 1 1 77 77 VAL H H 77 9.447 9.447 9.233 0.214 19974 14555 1 18 . 1 1 78 78 ILE N N 78 125.240 125.240 124.920 0.320 19974 14556 1 18 . 1 1 78 78 ILE HA H 78 4.433 4.433 4.949 -0.516 19974 14557 1 18 . 1 1 78 78 ILE C C 78 174.090 174.090 175.383 -1.293 19974 14558 1 18 . 1 1 78 78 ILE CA C 78 60.081 60.081 60.374 -0.293 19974 14559 1 18 . 1 1 78 78 ILE CB C 78 38.340 38.340 39.614 -1.274 19974 14560 1 18 . 1 1 78 78 ILE H H 78 8.155 8.155 8.399 -0.244 19974 14561 1 18 . 1 1 79 79 TYR N N 79 130.130 130.130 128.340 1.790 19974 14562 1 18 . 1 1 79 79 TYR HA H 79 4.422 4.422 4.971 -0.549 19974 14563 1 18 . 1 1 79 79 TYR C C 79 172.740 172.740 173.731 -0.991 19974 14564 1 18 . 1 1 79 79 TYR CA C 79 57.390 57.390 57.254 0.136 19974 14565 1 18 . 1 1 79 79 TYR CB C 79 40.820 40.820 42.465 -1.645 19974 14566 1 18 . 1 1 79 79 TYR H H 79 9.328 9.328 9.355 -0.027 19974 14567 1 18 . 1 1 80 80 GLY N N 80 114.140 114.140 113.852 0.288 19974 14568 1 18 . 1 1 80 80 GLY C C 80 171.090 171.090 172.871 -1.781 19974 14569 1 18 . 1 1 80 80 GLY CA C 80 42.860 42.860 43.370 -0.510 19974 14570 1 18 . 1 1 80 80 GLY H H 80 7.837 7.837 8.014 -0.177 19974 14571 1 18 . 1 1 81 81 ASP N N 81 115.660 115.660 120.607 -4.947 19974 14572 1 18 . 1 1 81 81 ASP HA H 81 4.248 4.248 4.304 -0.056 19974 14573 1 18 . 1 1 81 81 ASP C C 81 176.980 176.980 177.949 -0.969 19974 14574 1 18 . 1 1 81 81 ASP CA C 81 51.950 51.950 53.199 -1.249 19974 14575 1 18 . 1 1 81 81 ASP CB C 81 41.260 41.260 42.959 -1.699 19974 14576 1 18 . 1 1 81 81 ASP H H 81 7.633 7.633 8.228 -0.595 19974 14577 1 18 . 1 1 82 82 LYS N N 82 120.470 120.470 121.251 -0.781 19974 14578 1 18 . 1 1 82 82 LYS HA H 82 3.764 3.764 3.921 -0.158 19974 14579 1 18 . 1 1 82 82 LYS C C 82 176.350 176.350 178.695 -2.345 19974 14580 1 18 . 1 1 82 82 LYS CA C 82 59.290 59.290 59.286 0.004 19974 14581 1 18 . 1 1 82 82 LYS CB C 82 33.720 33.720 32.434 1.286 19974 14582 1 18 . 1 1 82 82 LYS H H 82 9.212 9.212 8.506 0.706 19974 14583 1 18 . 1 1 83 83 GLY N N 83 105.260 105.260 108.086 -2.826 19974 14584 1 18 . 1 1 83 83 GLY C C 83 176.540 176.540 175.762 0.778 19974 14585 1 18 . 1 1 83 83 GLY CA C 83 46.260 46.260 47.039 -0.780 19974 14586 1 18 . 1 1 83 83 GLY H H 83 8.367 8.367 8.087 0.280 19974 14587 1 18 . 1 1 84 84 ILE N N 84 117.510 117.510 123.017 -5.507 19974 14588 1 18 . 1 1 84 84 ILE HA H 84 3.644 3.644 3.551 0.093 19974 14589 1 18 . 1 1 84 84 ILE C C 84 177.010 177.010 177.967 -0.957 19974 14590 1 18 . 1 1 84 84 ILE CA C 84 63.636 63.636 65.713 -2.077 19974 14591 1 18 . 1 1 84 84 ILE CB C 84 38.820 38.820 37.883 0.938 19974 14592 1 18 . 1 1 84 84 ILE H H 84 7.040 7.040 7.374 -0.334 19974 14593 1 18 . 1 1 85 85 ASN N N 85 117.400 117.400 116.716 0.684 19974 14594 1 18 . 1 1 85 85 ASN HA H 85 4.115 4.115 4.389 -0.274 19974 14595 1 18 . 1 1 85 85 ASN C C 85 176.600 176.600 176.823 -0.223 19974 14596 1 18 . 1 1 85 85 ASN CA C 85 55.840 55.840 55.428 0.412 19974 14597 1 18 . 1 1 85 85 ASN CB C 85 37.720 37.720 37.761 -0.041 19974 14598 1 18 . 1 1 85 85 ASN H H 85 7.351 7.351 7.754 -0.403 19974 14599 1 18 . 1 1 86 86 ASP N N 86 115.890 115.890 118.876 -2.986 19974 14600 1 18 . 1 1 86 86 ASP HA H 86 4.391 4.391 4.593 -0.202 19974 14601 1 18 . 1 1 86 86 ASP C C 86 177.240 177.240 178.176 -0.936 19974 14602 1 18 . 1 1 86 86 ASP CA C 86 56.260 56.260 56.353 -0.093 19974 14603 1 18 . 1 1 86 86 ASP CB C 86 41.200 41.200 41.324 -0.124 19974 14604 1 18 . 1 1 86 86 ASP H H 86 8.377 8.377 8.073 0.304 19974 14605 1 18 . 1 1 87 87 VAL N N 87 109.640 109.640 114.485 -4.845 19974 14606 1 18 . 1 1 87 87 VAL HA H 87 4.473 4.473 4.283 0.190 19974 14607 1 18 . 1 1 87 87 VAL C C 87 175.780 175.780 176.104 -0.324 19974 14608 1 18 . 1 1 87 87 VAL CA C 87 61.320 61.320 63.293 -1.973 19974 14609 1 18 . 1 1 87 87 VAL CB C 87 34.170 34.170 33.134 1.036 19974 14610 1 18 . 1 1 87 87 VAL H H 87 7.196 7.196 7.681 -0.485 19974 14611 1 18 . 1 1 88 88 VAL N N 88 113.200 113.200 113.291 -0.091 19974 14612 1 18 . 1 1 88 88 VAL HA H 88 3.789 3.789 4.364 -0.575 19974 14613 1 18 . 1 1 88 88 VAL C C 88 175.760 175.760 174.552 1.208 19974 14614 1 18 . 1 1 88 88 VAL CA C 88 60.640 60.640 59.614 1.026 19974 14615 1 18 . 1 1 88 88 VAL CB C 88 32.970 32.970 34.056 -1.087 19974 14616 1 18 . 1 1 88 88 VAL H H 88 6.921 6.921 7.884 -0.963 19974 14617 1 18 . 1 1 89 89 SER N N 89 114.460 114.460 116.982 -2.522 19974 14618 1 18 . 1 1 89 89 SER HA H 89 4.546 4.546 4.790 -0.244 19974 14619 1 18 . 1 1 89 89 SER C C 89 175.720 175.720 175.215 0.505 19974 14620 1 18 . 1 1 89 89 SER CA C 89 57.330 57.330 56.435 0.895 19974 14621 1 18 . 1 1 89 89 SER CB C 89 64.500 64.500 65.634 -1.134 19974 14622 1 18 . 1 1 89 89 SER H H 89 7.738 7.738 8.468 -0.730 19974 14623 1 18 . 1 1 90 90 ASP N N 90 120.250 120.250 122.956 -2.706 19974 14624 1 18 . 1 1 90 90 ASP HA H 90 4.361 4.361 4.467 -0.106 19974 14625 1 18 . 1 1 90 90 ASP C C 90 176.630 176.630 178.107 -1.477 19974 14626 1 18 . 1 1 90 90 ASP CA C 90 57.050 57.050 57.166 -0.116 19974 14627 1 18 . 1 1 90 90 ASP CB C 90 40.540 40.540 40.720 -0.180 19974 14628 1 18 . 1 1 90 90 ASP H H 90 8.687 8.687 8.902 -0.215 19974 14629 1 18 . 1 1 91 91 ASP N N 91 116.800 116.800 118.625 -1.825 19974 14630 1 18 . 1 1 91 91 ASP HA H 91 4.605 4.605 4.552 0.053 19974 14631 1 18 . 1 1 91 91 ASP C C 91 177.610 177.610 178.025 -0.415 19974 14632 1 18 . 1 1 91 91 ASP CA C 91 52.890 52.890 56.317 -3.427 19974 14633 1 18 . 1 1 91 91 ASP CB C 91 40.230 40.230 40.743 -0.513 19974 14634 1 18 . 1 1 91 91 ASP H H 91 8.250 8.250 8.605 -0.355 19974 14635 1 18 . 1 1 92 92 PHE N N 92 122.130 122.130 120.787 1.343 19974 14636 1 18 . 1 1 92 92 PHE HA H 92 3.857 3.857 4.428 -0.571 19974 14637 1 18 . 1 1 92 92 PHE C C 92 177.040 177.040 176.733 0.307 19974 14638 1 18 . 1 1 92 92 PHE CA C 92 61.910 61.910 60.727 1.183 19974 14639 1 18 . 1 1 92 92 PHE CB C 92 40.696 40.696 39.754 0.942 19974 14640 1 18 . 1 1 92 92 PHE H H 92 7.564 7.564 7.892 -0.328 19974 14641 1 18 . 1 1 93 93 TRP N N 93 113.980 113.980 119.702 -5.722 19974 14642 1 18 . 1 1 93 93 TRP HA H 93 4.726 4.726 4.559 0.167 19974 14643 1 18 . 1 1 93 93 TRP C C 93 176.420 176.420 178.062 -1.642 19974 14644 1 18 . 1 1 93 93 TRP CA C 93 56.020 56.020 59.860 -3.840 19974 14645 1 18 . 1 1 93 93 TRP CB C 93 29.990 29.990 29.321 0.669 19974 14646 1 18 . 1 1 93 93 TRP H H 93 8.532 8.532 7.866 0.666 19974 14647 1 18 . 1 1 94 94 ASP N N 94 122.120 122.120 119.736 2.384 19974 14648 1 18 . 1 1 94 94 ASP HA H 94 4.228 4.228 4.350 -0.122 19974 14649 1 18 . 1 1 94 94 ASP C C 94 178.550 178.550 178.077 0.473 19974 14650 1 18 . 1 1 94 94 ASP CA C 94 59.120 59.120 58.066 1.054 19974 14651 1 18 . 1 1 94 94 ASP CB C 94 39.140 39.140 40.859 -1.720 19974 14652 1 18 . 1 1 94 94 ASP H H 94 7.904 7.904 8.621 -0.717 19974 14653 1 18 . 1 1 95 95 THR N N 95 111.200 111.200 110.626 0.574 19974 14654 1 18 . 1 1 95 95 THR HA H 95 4.004 4.004 3.953 0.051 19974 14655 1 18 . 1 1 95 95 THR C C 95 177.630 177.630 176.756 0.874 19974 14656 1 18 . 1 1 95 95 THR CA C 95 65.560 65.560 65.854 -0.294 19974 14657 1 18 . 1 1 95 95 THR CB C 95 68.230 68.230 68.472 -0.242 19974 14658 1 18 . 1 1 95 95 THR H H 95 8.559 8.559 8.107 0.452 19974 14659 1 18 . 1 1 96 96 THR N N 96 123.230 123.230 118.721 4.509 19974 14660 1 18 . 1 1 96 96 THR HA H 96 3.725 3.725 3.992 -0.267 19974 14661 1 18 . 1 1 96 96 THR C C 96 175.410 175.410 176.411 -1.001 19974 14662 1 18 . 1 1 96 96 THR CA C 96 68.286 68.286 66.559 1.727 19974 14663 1 18 . 1 1 96 96 THR CB C 96 68.200 68.200 68.597 -0.397 19974 14664 1 18 . 1 1 96 96 THR H H 96 7.991 7.991 7.435 0.556 19974 14665 1 18 . 1 1 97 97 ARG N N 97 119.960 119.960 121.419 -1.459 19974 14666 1 18 . 1 1 97 97 ARG HA H 97 3.829 3.829 4.021 -0.192 19974 14667 1 18 . 1 1 97 97 ARG C C 97 178.320 178.320 178.688 -0.368 19974 14668 1 18 . 1 1 97 97 ARG CA C 97 60.390 60.390 59.996 0.394 19974 14669 1 18 . 1 1 97 97 ARG CB C 97 29.870 29.870 30.163 -0.293 19974 14670 1 18 . 1 1 97 97 ARG H H 97 8.825 8.825 7.893 0.932 19974 14671 1 18 . 1 1 98 98 ASN N N 98 115.680 115.680 117.698 -2.018 19974 14672 1 18 . 1 1 98 98 ASN HA H 98 4.390 4.390 4.467 -0.077 19974 14673 1 18 . 1 1 98 98 ASN C C 98 176.620 176.620 177.301 -0.681 19974 14674 1 18 . 1 1 98 98 ASN CA C 98 56.050 56.050 56.308 -0.258 19974 14675 1 18 . 1 1 98 98 ASN CB C 98 38.220 38.220 38.169 0.051 19974 14676 1 18 . 1 1 98 98 ASN H H 98 8.508 8.508 8.469 0.039 19974 14677 1 18 . 1 1 99 99 ALA N N 99 120.830 120.830 123.454 -2.624 19974 14678 1 18 . 1 1 99 99 ALA HA H 99 4.020 4.020 4.014 0.006 19974 14679 1 18 . 1 1 99 99 ALA C C 99 179.800 179.800 179.287 0.513 19974 14680 1 18 . 1 1 99 99 ALA CA C 99 54.770 54.770 55.035 -0.265 19974 14681 1 18 . 1 1 99 99 ALA CB C 99 18.110 18.110 18.612 -0.502 19974 14682 1 18 . 1 1 99 99 ALA H H 99 7.447 7.447 7.489 -0.042 19974 14683 1 18 . 1 1 100 100 ILE N N 100 116.240 116.240 119.113 -2.873 19974 14684 1 18 . 1 1 100 100 ILE HA H 100 3.203 3.203 3.519 -0.316 19974 14685 1 18 . 1 1 100 100 ILE C C 100 178.050 178.050 177.581 0.469 19974 14686 1 18 . 1 1 100 100 ILE CA C 100 64.550 64.550 65.271 -0.721 19974 14687 1 18 . 1 1 100 100 ILE CB C 100 37.640 37.640 37.387 0.253 19974 14688 1 18 . 1 1 100 100 ILE H H 100 7.339 7.339 7.500 -0.161 19974 14689 1 18 . 1 1 101 101 GLN N N 101 118.750 118.750 119.360 -0.610 19974 14690 1 18 . 1 1 101 101 GLN HA H 101 3.917 3.917 3.849 0.068 19974 14691 1 18 . 1 1 101 101 GLN C C 101 177.870 177.870 178.373 -0.503 19974 14692 1 18 . 1 1 101 101 GLN CA C 101 59.200 59.200 59.239 -0.039 19974 14693 1 18 . 1 1 101 101 GLN CB C 101 28.860 28.860 28.885 -0.025 19974 14694 1 18 . 1 1 101 101 GLN H H 101 8.359 8.359 8.249 0.110 19974 14695 1 18 . 1 1 102 102 LEU N N 102 117.790 117.790 120.487 -2.697 19974 14696 1 18 . 1 1 102 102 LEU HA H 102 3.951 3.951 4.061 -0.110 19974 14697 1 18 . 1 1 102 102 LEU C C 102 179.550 179.550 178.999 0.551 19974 14698 1 18 . 1 1 102 102 LEU CA C 102 58.190 58.190 58.250 -0.060 19974 14699 1 18 . 1 1 102 102 LEU CB C 102 42.320 42.320 41.802 0.518 19974 14700 1 18 . 1 1 102 102 LEU H H 102 8.119 8.119 7.775 0.344 19974 14701 1 18 . 1 1 103 103 GLN N N 103 113.650 113.650 118.219 -4.569 19974 14702 1 18 . 1 1 103 103 GLN HA H 103 4.426 4.426 4.126 0.300 19974 14703 1 18 . 1 1 103 103 GLN C C 103 179.680 179.680 178.686 0.994 19974 14704 1 18 . 1 1 103 103 GLN CA C 103 56.550 56.550 58.678 -2.128 19974 14705 1 18 . 1 1 103 103 GLN CB C 103 27.480 27.480 28.398 -0.918 19974 14706 1 18 . 1 1 103 103 GLN H H 103 6.636 6.636 7.684 -1.048 19974 14707 1 18 . 1 1 104 104 PHE N N 104 123.740 123.740 120.269 3.471 19974 14708 1 18 . 1 1 104 104 PHE HA H 104 3.895 3.895 4.356 -0.461 19974 14709 1 18 . 1 1 104 104 PHE C C 104 180.130 180.130 177.870 2.260 19974 14710 1 18 . 1 1 104 104 PHE CA C 104 59.760 59.760 61.092 -1.332 19974 14711 1 18 . 1 1 104 104 PHE CB C 104 36.620 36.620 39.048 -2.428 19974 14712 1 18 . 1 1 104 104 PHE H H 104 9.161 9.161 8.810 0.351 19974 14713 1 18 . 1 1 105 105 LYS N N 105 119.280 119.280 118.719 0.561 19974 14714 1 18 . 1 1 105 105 LYS HA H 105 4.126 4.126 4.051 0.075 19974 14715 1 18 . 1 1 105 105 LYS C C 105 177.290 177.290 178.910 -1.620 19974 14716 1 18 . 1 1 105 105 LYS CA C 105 58.913 58.913 59.110 -0.197 19974 14717 1 18 . 1 1 105 105 LYS CB C 105 31.920 31.920 32.367 -0.447 19974 14718 1 18 . 1 1 105 105 LYS H H 105 8.519 8.519 8.142 0.377 19974 14719 1 18 . 1 1 106 106 GLN N N 106 114.530 114.530 116.721 -2.191 19974 14720 1 18 . 1 1 106 106 GLN HA H 106 4.415 4.415 4.195 0.220 19974 14721 1 18 . 1 1 106 106 GLN C C 106 175.450 175.450 176.752 -1.302 19974 14722 1 18 . 1 1 106 106 GLN CA C 106 54.850 54.850 56.869 -2.019 19974 14723 1 18 . 1 1 106 106 GLN CB C 106 30.010 30.010 29.424 0.586 19974 14724 1 18 . 1 1 106 106 GLN H H 106 6.934 6.934 7.698 -0.764 19974 14725 1 18 . 1 1 107 107 GLY N N 107 106.800 106.800 105.730 1.070 19974 14726 1 18 . 1 1 107 107 GLY C C 107 173.140 173.140 174.160 -1.020 19974 14727 1 18 . 1 1 107 107 GLY CA C 107 44.930 44.930 44.501 0.429 19974 14728 1 18 . 1 1 107 107 GLY H H 107 7.722 7.722 7.832 -0.110 19974 14729 1 18 . 1 1 108 108 ASN N N 108 120.230 120.230 121.189 -0.959 19974 14730 1 18 . 1 1 108 108 ASN HA H 108 4.827 4.827 4.841 -0.014 19974 14731 1 18 . 1 1 108 108 ASN C C 108 174.820 174.820 175.081 -0.261 19974 14732 1 18 . 1 1 108 108 ASN CA C 108 50.520 50.520 50.238 0.282 19974 14733 1 18 . 1 1 108 108 ASN CB C 108 37.090 37.090 37.165 -0.075 19974 14734 1 18 . 1 1 108 108 ASN H H 108 7.654 7.654 7.883 -0.229 19974 14735 1 18 . 1 1 109 109 PHE N N 109 122.130 122.130 122.783 -0.653 19974 14736 1 18 . 1 1 109 109 PHE HA H 109 4.038 4.038 3.534 0.504 19974 14737 1 18 . 1 1 109 109 PHE C C 109 177.270 177.270 177.520 -0.250 19974 14738 1 18 . 1 1 109 109 PHE CA C 109 60.670 60.670 60.913 -0.242 19974 14739 1 18 . 1 1 109 109 PHE CB C 109 38.220 38.220 38.097 0.123 19974 14740 1 18 . 1 1 109 109 PHE H H 109 7.231 7.231 7.027 0.204 19974 14741 1 18 . 1 1 110 110 LYS N N 110 118.670 118.670 119.949 -1.279 19974 14742 1 18 . 1 1 110 110 LYS HA H 110 3.610 3.610 3.798 -0.188 19974 14743 1 18 . 1 1 110 110 LYS C C 110 177.680 177.680 178.301 -0.621 19974 14744 1 18 . 1 1 110 110 LYS CA C 110 60.050 60.050 60.578 -0.528 19974 14745 1 18 . 1 1 110 110 LYS CB C 110 29.680 29.680 31.951 -2.271 19974 14746 1 18 . 1 1 110 110 LYS H H 110 8.727 8.727 8.606 0.121 19974 14747 1 18 . 1 1 111 111 GLN N N 111 117.980 117.980 119.408 -1.428 19974 14748 1 18 . 1 1 111 111 GLN HA H 111 3.491 3.491 4.070 -0.579 19974 14749 1 18 . 1 1 111 111 GLN C C 111 177.640 177.640 178.362 -0.722 19974 14750 1 18 . 1 1 111 111 GLN CA C 111 57.530 57.530 58.609 -1.079 19974 14751 1 18 . 1 1 111 111 GLN CB C 111 28.460 28.460 28.118 0.342 19974 14752 1 18 . 1 1 111 111 GLN H H 111 8.442 8.442 8.221 0.221 19974 14753 1 18 . 1 1 112 112 GLY N N 112 103.740 103.740 107.492 -3.752 19974 14754 1 18 . 1 1 112 112 GLY C C 112 173.970 173.970 176.352 -2.382 19974 14755 1 18 . 1 1 112 112 GLY CA C 112 48.730 48.730 46.883 1.847 19974 14756 1 18 . 1 1 112 112 GLY H H 112 8.196 8.196 8.058 0.138 19974 14757 1 18 . 1 1 113 113 LEU N N 113 119.640 119.640 123.486 -3.846 19974 14758 1 18 . 1 1 113 113 LEU HA H 113 3.868 3.868 3.965 -0.097 19974 14759 1 18 . 1 1 113 113 LEU C C 113 177.480 177.480 178.892 -1.412 19974 14760 1 18 . 1 1 113 113 LEU CA C 113 58.150 58.150 57.988 0.162 19974 14761 1 18 . 1 1 113 113 LEU CB C 113 41.920 41.920 42.020 -0.100 19974 14762 1 18 . 1 1 113 113 LEU H H 113 7.614 7.614 8.152 -0.538 19974 14763 1 18 . 1 1 114 114 VAL N N 114 118.510 118.510 119.482 -0.972 19974 14764 1 18 . 1 1 114 114 VAL HA H 114 3.269 3.269 3.486 -0.217 19974 14765 1 18 . 1 1 114 114 VAL C C 114 177.330 177.330 177.743 -0.413 19974 14766 1 18 . 1 1 114 114 VAL CA C 114 67.787 67.787 67.381 0.406 19974 14767 1 18 . 1 1 114 114 VAL CB C 114 31.600 31.600 31.467 0.133 19974 14768 1 18 . 1 1 114 114 VAL H H 114 8.284 8.284 8.577 -0.293 19974 14769 1 18 . 1 1 115 115 ASP N N 115 119.440 119.440 119.474 -0.034 19974 14770 1 18 . 1 1 115 115 ASP HA H 115 4.261 4.261 4.372 -0.111 19974 14771 1 18 . 1 1 115 115 ASP C C 115 179.840 179.840 178.608 1.232 19974 14772 1 18 . 1 1 115 115 ASP CA C 115 56.950 56.950 57.843 -0.893 19974 14773 1 18 . 1 1 115 115 ASP CB C 115 39.840 39.840 40.737 -0.897 19974 14774 1 18 . 1 1 115 115 ASP H H 115 8.724 8.724 8.549 0.175 19974 14775 1 18 . 1 1 116 116 GLY N N 116 107.280 107.280 108.029 -0.749 19974 14776 1 18 . 1 1 116 116 GLY C C 116 174.130 174.130 176.583 -2.453 19974 14777 1 18 . 1 1 116 116 GLY CA C 116 47.190 47.190 46.885 0.305 19974 14778 1 18 . 1 1 116 116 GLY H H 116 8.370 8.370 8.009 0.361 19974 14779 1 18 . 1 1 117 117 ILE N N 117 123.350 123.350 122.831 0.519 19974 14780 1 18 . 1 1 117 117 ILE HA H 117 3.307 3.307 3.555 -0.248 19974 14781 1 18 . 1 1 117 117 ILE C C 117 176.750 176.750 177.745 -0.995 19974 14782 1 18 . 1 1 117 117 ILE CA C 117 66.168 66.168 65.619 0.549 19974 14783 1 18 . 1 1 117 117 ILE CB C 117 37.760 37.760 37.856 -0.096 19974 14784 1 18 . 1 1 117 117 ILE H H 117 8.573 8.573 8.430 0.143 19974 14785 1 18 . 1 1 118 118 GLU N N 118 119.220 119.220 119.401 -0.181 19974 14786 1 18 . 1 1 118 118 GLU HA H 118 4.003 4.003 3.936 0.067 19974 14787 1 18 . 1 1 118 118 GLU C C 118 180.600 180.600 179.340 1.260 19974 14788 1 18 . 1 1 118 118 GLU CA C 118 59.472 59.472 59.723 -0.251 19974 14789 1 18 . 1 1 118 118 GLU CB C 118 29.310 29.310 29.115 0.195 19974 14790 1 18 . 1 1 118 118 GLU H H 118 7.998 7.998 8.198 -0.200 19974 14791 1 18 . 1 1 119 119 LYS N N 119 118.270 118.270 119.337 -1.067 19974 14792 1 18 . 1 1 119 119 LYS HA H 119 3.897 3.897 4.056 -0.159 19974 14793 1 18 . 1 1 119 119 LYS C C 119 179.040 179.040 178.855 0.185 19974 14794 1 18 . 1 1 119 119 LYS CA C 119 58.090 58.090 59.089 -0.999 19974 14795 1 18 . 1 1 119 119 LYS CB C 119 31.340 31.340 32.237 -0.897 19974 14796 1 18 . 1 1 119 119 LYS H H 119 7.846 7.846 7.976 -0.130 19974 14797 1 18 . 1 1 120 120 ALA N N 120 125.280 125.280 122.549 2.731 19974 14798 1 18 . 1 1 120 120 ALA HA H 120 4.195 4.195 3.926 0.269 19974 14799 1 18 . 1 1 120 120 ALA C C 120 180.230 180.230 179.355 0.875 19974 14800 1 18 . 1 1 120 120 ALA CA C 120 55.040 55.040 54.992 0.048 19974 14801 1 18 . 1 1 120 120 ALA CB C 120 17.380 17.380 18.259 -0.879 19974 14802 1 18 . 1 1 120 120 ALA H H 120 9.092 9.092 7.696 1.396 19974 14803 1 18 . 1 1 121 121 GLY N N 121 104.130 104.130 106.812 -2.682 19974 14804 1 18 . 1 1 121 121 GLY C C 121 174.930 174.930 176.301 -1.371 19974 14805 1 18 . 1 1 121 121 GLY CA C 121 47.590 47.590 47.122 0.468 19974 14806 1 18 . 1 1 121 121 GLY H H 121 8.606 8.606 8.644 -0.038 19974 14807 1 18 . 1 1 122 122 MET N N 122 117.000 117.000 121.170 -4.170 19974 14808 1 18 . 1 1 122 122 MET HA H 122 4.183 4.183 4.041 0.142 19974 14809 1 18 . 1 1 122 122 MET C C 122 178.500 178.500 178.537 -0.037 19974 14810 1 18 . 1 1 122 122 MET CA C 122 57.470 57.470 59.305 -1.835 19974 14811 1 18 . 1 1 122 122 MET CB C 122 32.200 32.200 32.568 -0.368 19974 14812 1 18 . 1 1 122 122 MET H H 122 7.284 7.284 8.015 -0.731 19974 14813 1 18 . 1 1 123 123 ALA N N 123 124.060 124.060 122.551 1.509 19974 14814 1 18 . 1 1 123 123 ALA HA H 123 4.076 4.076 4.348 -0.272 19974 14815 1 18 . 1 1 123 123 ALA C C 123 180.880 180.880 180.356 0.524 19974 14816 1 18 . 1 1 123 123 ALA CA C 123 54.760 54.760 54.890 -0.130 19974 14817 1 18 . 1 1 123 123 ALA CB C 123 17.590 17.590 18.220 -0.630 19974 14818 1 18 . 1 1 123 123 ALA H H 123 8.308 8.308 7.888 0.420 19974 14819 1 18 . 1 1 124 124 LEU N N 124 117.060 117.060 120.781 -3.721 19974 14820 1 18 . 1 1 124 124 LEU HA H 124 4.270 4.270 4.227 0.043 19974 14821 1 18 . 1 1 124 124 LEU C C 124 179.170 179.170 179.115 0.055 19974 14822 1 18 . 1 1 124 124 LEU CA C 124 57.840 57.840 58.106 -0.266 19974 14823 1 18 . 1 1 124 124 LEU CB C 124 42.920 42.920 41.840 1.080 19974 14824 1 18 . 1 1 124 124 LEU H H 124 8.871 8.871 8.897 -0.026 19974 14825 1 18 . 1 1 125 125 ALA N N 125 120.950 120.950 119.996 0.954 19974 14826 1 18 . 1 1 125 125 ALA HA H 125 3.956 3.956 4.526 -0.570 19974 14827 1 18 . 1 1 125 125 ALA C C 125 177.740 177.740 179.038 -1.298 19974 14828 1 18 . 1 1 125 125 ALA CA C 125 55.220 55.220 54.458 0.762 19974 14829 1 18 . 1 1 125 125 ALA CB C 125 19.180 19.180 18.462 0.718 19974 14830 1 18 . 1 1 125 125 ALA H H 125 7.829 7.829 8.456 -0.627 19974 14831 1 18 . 1 1 126 126 LYS N N 126 113.320 113.320 118.297 -4.977 19974 14832 1 18 . 1 1 126 126 LYS HA H 126 3.798 3.798 4.102 -0.304 19974 14833 1 18 . 1 1 126 126 LYS C C 126 176.550 176.550 178.029 -1.479 19974 14834 1 18 . 1 1 126 126 LYS CA C 126 58.490 58.490 58.651 -0.161 19974 14835 1 18 . 1 1 126 126 LYS CB C 126 32.620 32.620 32.531 0.089 19974 14836 1 18 . 1 1 126 126 LYS H H 126 6.971 6.971 7.866 -0.895 19974 14837 1 18 . 1 1 127 127 TYR N N 127 113.850 113.850 116.745 -2.895 19974 14838 1 18 . 1 1 127 127 TYR HA H 127 4.067 4.067 4.227 -0.160 19974 14839 1 18 . 1 1 127 127 TYR C C 127 174.390 174.390 176.078 -1.688 19974 14840 1 18 . 1 1 127 127 TYR CA C 127 58.770 58.770 60.335 -1.565 19974 14841 1 18 . 1 1 127 127 TYR CB C 127 41.930 41.930 39.461 2.469 19974 14842 1 18 . 1 1 127 127 TYR H H 127 6.817 6.817 7.678 -0.861 19974 14843 1 18 . 1 1 128 128 PHE N N 128 116.130 116.130 116.911 -0.781 19974 14844 1 18 . 1 1 128 128 PHE HA H 128 4.907 4.907 5.036 -0.129 19974 14845 1 18 . 1 1 128 128 PHE C C 128 172.450 172.450 173.835 -1.385 19974 14846 1 18 . 1 1 128 128 PHE CA C 128 55.003 55.003 54.966 0.037 19974 14847 1 18 . 1 1 128 128 PHE CB C 128 38.550 38.550 39.721 -1.171 19974 14848 1 18 . 1 1 128 128 PHE H H 128 8.688 8.688 8.539 0.149 19974 14849 1 18 . 1 1 129 129 PRO HA H 129 4.680 4.680 4.658 0.022 19974 14850 1 18 . 1 1 129 129 PRO C C 129 175.720 175.720 176.650 -0.930 19974 14851 1 18 . 1 1 129 129 PRO CA C 129 63.382 63.382 62.645 0.737 19974 14852 1 18 . 1 1 129 129 PRO CB C 129 31.810 31.810 32.243 -0.433 19974 14853 1 18 . 1 1 130 130 TRP N N 130 123.170 123.170 127.977 -4.807 19974 14854 1 18 . 1 1 130 130 TRP HA H 130 4.031 4.031 4.596 -0.565 19974 14855 1 18 . 1 1 130 130 TRP C C 130 175.310 175.310 175.692 -0.382 19974 14856 1 18 . 1 1 130 130 TRP CA C 130 59.510 59.510 58.756 0.754 19974 14857 1 18 . 1 1 130 130 TRP CB C 130 29.300 29.300 30.174 -0.874 19974 14858 1 18 . 1 1 130 130 TRP H H 130 7.910 7.910 8.652 -0.742 19974 14859 1 18 . 1 1 131 131 LYS N N 131 127.060 127.060 126.338 0.722 19974 14860 1 18 . 1 1 131 131 LYS HA H 131 4.260 4.260 4.301 -0.041 19974 14861 1 18 . 1 1 131 131 LYS C C 131 174.450 174.450 176.356 -1.906 19974 14862 1 18 . 1 1 131 131 LYS CA C 131 53.240 53.240 54.287 -1.047 19974 14863 1 18 . 1 1 131 131 LYS CB C 131 35.250 35.250 34.305 0.945 19974 14864 1 18 . 1 1 131 131 LYS H H 131 8.097 8.097 7.795 0.302 19974 14865 1 18 . 1 1 132 132 LYS N N 132 116.250 116.250 121.369 -5.119 19974 14866 1 18 . 1 1 132 132 LYS HA H 132 3.398 3.398 3.649 -0.251 19974 14867 1 18 . 1 1 132 132 LYS C C 132 176.550 176.550 176.194 0.356 19974 14868 1 18 . 1 1 132 132 LYS CA C 132 58.140 58.140 57.912 0.228 19974 14869 1 18 . 1 1 132 132 LYS CB C 132 31.880 31.880 32.258 -0.378 19974 14870 1 18 . 1 1 132 132 LYS H H 132 7.761 7.761 8.599 -0.838 19974 14871 1 18 . 1 1 133 133 ASP N N 133 116.600 116.600 117.815 -1.215 19974 14872 1 18 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.637 -0.286 19974 14873 1 18 . 1 1 133 133 ASP C C 133 175.320 175.320 175.377 -0.057 19974 14874 1 18 . 1 1 133 133 ASP CA C 133 52.520 52.520 53.612 -1.092 19974 14875 1 18 . 1 1 133 133 ASP CB C 133 38.720 38.720 40.958 -2.238 19974 14876 1 18 . 1 1 133 133 ASP H H 133 7.633 7.633 7.706 -0.073 19974 14877 1 18 . 1 1 134 134 ASP N N 134 119.140 119.140 121.858 -2.718 19974 14878 1 18 . 1 1 134 134 ASP HA H 134 3.989 3.989 4.440 -0.451 19974 14879 1 18 . 1 1 134 134 ASP C C 134 175.500 175.500 176.064 -0.564 19974 14880 1 18 . 1 1 134 134 ASP CA C 134 56.410 56.410 54.671 1.739 19974 14881 1 18 . 1 1 134 134 ASP CB C 134 42.740 42.740 41.469 1.271 19974 14882 1 18 . 1 1 134 134 ASP H H 134 7.251 7.251 7.390 -0.139 19974 14883 1 18 . 1 1 135 135 ILE N N 135 123.230 123.230 119.736 3.494 19974 14884 1 18 . 1 1 135 135 ILE HA H 135 4.301 4.301 4.455 -0.154 19974 14885 1 18 . 1 1 135 135 ILE C C 135 176.300 176.300 175.024 1.276 19974 14886 1 18 . 1 1 135 135 ILE CA C 135 58.640 58.640 59.217 -0.577 19974 14887 1 18 . 1 1 135 135 ILE CB C 135 40.800 40.800 40.813 -0.013 19974 14888 1 18 . 1 1 135 135 ILE H H 135 8.351 8.351 8.190 0.161 19974 14889 1 18 . 1 1 136 136 ASP N N 136 131.670 131.670 125.512 6.158 19974 14890 1 18 . 1 1 136 136 ASP HA H 136 5.640 5.640 4.600 1.040 19974 14891 1 18 . 1 1 136 136 ASP C C 136 176.150 176.150 176.028 0.122 19974 14892 1 18 . 1 1 136 136 ASP CA C 136 52.560 52.560 54.161 -1.601 19974 14893 1 18 . 1 1 136 136 ASP CB C 136 38.180 38.180 40.438 -2.258 19974 14894 1 18 . 1 1 136 136 ASP H H 136 9.036 9.036 8.574 0.462 19974 14895 1 18 . 1 1 137 137 GLU N N 137 125.270 125.270 124.439 0.831 19974 14896 1 18 . 1 1 137 137 GLU HA H 137 3.735 3.735 4.388 -0.653 19974 14897 1 18 . 1 1 137 137 GLU C C 137 176.110 176.110 176.478 -0.368 19974 14898 1 18 . 1 1 137 137 GLU CA C 137 59.490 59.490 57.310 2.180 19974 14899 1 18 . 1 1 137 137 GLU CB C 137 32.880 32.880 30.780 2.100 19974 14900 1 18 . 1 1 137 137 GLU H H 137 8.435 8.435 8.856 -0.421 19974 14901 1 18 . 1 1 138 138 LEU N N 138 117.210 117.210 120.245 -3.035 19974 14902 1 18 . 1 1 138 138 LEU HA H 138 4.960 4.960 4.800 0.161 19974 14903 1 18 . 1 1 138 138 LEU C C 138 173.560 173.560 174.656 -1.096 19974 14904 1 18 . 1 1 138 138 LEU CA C 138 50.310 50.310 51.833 -1.523 19974 14905 1 18 . 1 1 138 138 LEU CB C 138 41.350 41.350 43.074 -1.724 19974 14906 1 18 . 1 1 138 138 LEU H H 138 8.308 8.308 8.371 -0.063 19974 14907 1 18 . 1 1 139 139 PRO HA H 139 4.335 4.335 4.701 -0.366 19974 14908 1 18 . 1 1 139 139 PRO C C 139 177.700 177.700 176.811 0.889 19974 14909 1 18 . 1 1 139 139 PRO CA C 139 62.550 62.550 62.030 0.520 19974 14910 1 18 . 1 1 139 139 PRO CB C 139 32.520 32.520 33.157 -0.637 19974 14911 1 18 . 1 1 140 140 ASN N N 140 120.930 120.930 120.337 0.593 19974 14912 1 18 . 1 1 140 140 ASN HA H 140 4.730 4.730 4.459 0.271 19974 14913 1 18 . 1 1 140 140 ASN C C 140 174.460 174.460 175.784 -1.324 19974 14914 1 18 . 1 1 140 140 ASN CA C 140 52.790 52.790 54.215 -1.425 19974 14915 1 18 . 1 1 140 140 ASN CB C 140 38.520 38.520 38.053 0.467 19974 14916 1 18 . 1 1 140 140 ASN H H 140 9.213 9.213 8.390 0.823 19974 14917 1 18 . 1 1 141 141 THR N N 141 107.730 107.730 115.515 -7.785 19974 14918 1 18 . 1 1 141 141 THR HA H 141 3.853 3.853 4.175 -0.322 19974 14919 1 18 . 1 1 141 141 THR C C 141 176.410 176.410 174.567 1.843 19974 14920 1 18 . 1 1 141 141 THR CA C 141 61.560 61.560 63.221 -1.661 19974 14921 1 18 . 1 1 141 141 THR CB C 141 69.450 69.450 69.689 -0.239 19974 14922 1 18 . 1 1 141 141 THR H H 141 7.003 7.003 7.516 -0.513 19974 14923 1 18 . 1 1 142 142 ILE N N 142 129.530 129.530 123.418 6.112 19974 14924 1 18 . 1 1 142 142 ILE HA H 142 3.976 3.976 4.168 -0.192 19974 14925 1 18 . 1 1 142 142 ILE C C 142 176.020 176.020 175.552 0.468 19974 14926 1 18 . 1 1 142 142 ILE CA C 142 62.150 62.150 61.330 0.820 19974 14927 1 18 . 1 1 142 142 ILE CB C 142 37.890 37.890 38.684 -0.794 19974 14928 1 18 . 1 1 142 142 ILE H H 142 9.030 9.030 8.319 0.711 19974 14929 1 18 . 1 1 143 143 SER N N 143 124.630 124.630 123.149 1.481 19974 14930 1 18 . 1 1 143 143 SER HA H 143 4.481 4.481 4.607 -0.126 19974 14931 1 18 . 1 1 143 143 SER C C 143 172.920 172.920 172.454 0.466 19974 14932 1 18 . 1 1 143 143 SER CA C 143 57.120 57.120 58.097 -0.977 19974 14933 1 18 . 1 1 143 143 SER CB C 143 60.710 60.710 64.497 -3.787 19974 14934 1 18 . 1 1 143 143 SER H H 143 8.709 8.709 8.483 0.226 19974 14935 1 18 . 1 1 144 144 LYS N N 144 126.170 126.170 125.110 1.060 19974 14936 1 18 . 1 1 144 144 LYS HA H 144 4.954 4.954 4.537 0.417 19974 14937 1 18 . 1 1 144 144 LYS C C 144 175.910 175.910 176.387 -0.477 19974 14938 1 18 . 1 1 144 144 LYS CA C 144 54.580 54.580 54.955 -0.375 19974 14939 1 18 . 1 1 144 144 LYS CB C 144 35.170 35.170 35.212 -0.042 19974 14940 1 18 . 1 1 144 144 LYS H H 144 8.043 8.043 8.216 -0.173 19974 14941 1 19 . 1 1 3 3 LYS HA H 3 4.317 4.317 4.145 0.172 19974 14942 1 19 . 1 1 3 3 LYS C C 3 176.840 176.840 176.416 0.424 19974 14943 1 19 . 1 1 3 3 LYS CA C 3 56.180 56.180 57.758 -1.578 19974 14944 1 19 . 1 1 3 3 LYS CB C 3 33.030 33.030 32.599 0.431 19974 14945 1 19 . 1 1 4 4 ILE N N 4 122.990 122.990 120.600 2.390 19974 14946 1 19 . 1 1 4 4 ILE HA H 4 3.919 3.919 4.226 -0.307 19974 14947 1 19 . 1 1 4 4 ILE C C 4 176.120 176.120 175.401 0.719 19974 14948 1 19 . 1 1 4 4 ILE CA C 4 61.530 61.530 60.690 0.840 19974 14949 1 19 . 1 1 4 4 ILE CB C 4 38.040 38.040 39.013 -0.973 19974 14950 1 19 . 1 1 4 4 ILE H H 4 8.391 8.391 7.902 0.489 19974 14951 1 19 . 1 1 5 5 GLU N N 5 123.430 123.430 126.127 -2.697 19974 14952 1 19 . 1 1 5 5 GLU HA H 5 4.116 4.116 4.440 -0.324 19974 14953 1 19 . 1 1 5 5 GLU C C 5 175.830 175.830 175.767 0.063 19974 14954 1 19 . 1 1 5 5 GLU CA C 5 56.900 56.900 56.841 0.059 19974 14955 1 19 . 1 1 5 5 GLU CB C 5 29.350 29.350 31.085 -1.736 19974 14956 1 19 . 1 1 5 5 GLU H H 5 8.508 8.508 8.870 -0.362 19974 14957 1 19 . 1 1 6 6 GLU N N 6 119.490 119.490 119.217 0.273 19974 14958 1 19 . 1 1 6 6 GLU HA H 6 4.128 4.128 4.637 -0.509 19974 14959 1 19 . 1 1 6 6 GLU C C 6 176.270 176.270 175.448 0.822 19974 14960 1 19 . 1 1 6 6 GLU CA C 6 55.700 55.700 55.853 -0.153 19974 14961 1 19 . 1 1 6 6 GLU CB C 6 30.190 30.190 31.232 -1.042 19974 14962 1 19 . 1 1 6 6 GLU H H 6 7.843 7.843 8.295 -0.452 19974 14963 1 19 . 1 1 7 7 PHE N N 7 121.090 121.090 121.950 -0.860 19974 14964 1 19 . 1 1 7 7 PHE HA H 7 4.284 4.284 4.588 -0.304 19974 14965 1 19 . 1 1 7 7 PHE C C 7 174.810 174.810 175.771 -0.961 19974 14966 1 19 . 1 1 7 7 PHE CA C 7 59.660 59.660 57.646 2.014 19974 14967 1 19 . 1 1 7 7 PHE CB C 7 39.990 39.990 39.918 0.072 19974 14968 1 19 . 1 1 7 7 PHE H H 7 8.092 8.092 8.861 -0.769 19974 14969 1 19 . 1 1 8 8 LEU N N 8 116.700 116.700 118.923 -2.223 19974 14970 1 19 . 1 1 8 8 LEU HA H 8 4.792 4.792 5.060 -0.268 19974 14971 1 19 . 1 1 8 8 LEU C C 8 176.940 176.940 176.740 0.200 19974 14972 1 19 . 1 1 8 8 LEU CA C 8 52.730 52.730 52.764 -0.034 19974 14973 1 19 . 1 1 8 8 LEU CB C 8 45.650 45.650 45.369 0.281 19974 14974 1 19 . 1 1 8 8 LEU H H 8 7.721 7.721 7.661 0.060 19974 14975 1 19 . 1 1 9 9 THR N N 9 113.700 113.700 113.209 0.491 19974 14976 1 19 . 1 1 9 9 THR HA H 9 4.397 4.397 4.426 -0.029 19974 14977 1 19 . 1 1 9 9 THR C C 9 175.410 175.410 175.866 -0.456 19974 14978 1 19 . 1 1 9 9 THR CA C 9 60.650 60.650 60.336 0.314 19974 14979 1 19 . 1 1 9 9 THR CB C 9 70.800 70.800 71.811 -1.011 19974 14980 1 19 . 1 1 9 9 THR H H 9 9.224 9.224 8.525 0.699 19974 14981 1 19 . 1 1 10 10 ALA N N 10 123.350 123.350 125.267 -1.917 19974 14982 1 19 . 1 1 10 10 ALA HA H 10 4.036 4.036 4.036 0.000 19974 14983 1 19 . 1 1 10 10 ALA C C 10 181.050 181.050 179.225 1.825 19974 14984 1 19 . 1 1 10 10 ALA CA C 10 55.500 55.500 55.130 0.370 19974 14985 1 19 . 1 1 10 10 ALA CB C 10 17.914 17.914 18.427 -0.513 19974 14986 1 19 . 1 1 10 10 ALA H H 10 8.881 8.881 8.778 0.102 19974 14987 1 19 . 1 1 11 11 GLU N N 11 117.680 117.680 119.109 -1.429 19974 14988 1 19 . 1 1 11 11 GLU HA H 11 3.949 3.949 3.987 -0.038 19974 14989 1 19 . 1 1 11 11 GLU C C 11 179.500 179.500 178.895 0.605 19974 14990 1 19 . 1 1 11 11 GLU CA C 11 59.490 59.490 59.781 -0.291 19974 14991 1 19 . 1 1 11 11 GLU CB C 11 29.120 29.120 29.416 -0.296 19974 14992 1 19 . 1 1 11 11 GLU H H 11 8.460 8.460 8.317 0.143 19974 14993 1 19 . 1 1 12 12 GLU N N 12 121.860 121.860 118.869 2.991 19974 14994 1 19 . 1 1 12 12 GLU HA H 12 3.818 3.818 4.074 -0.256 19974 14995 1 19 . 1 1 12 12 GLU C C 12 178.130 178.130 179.272 -1.142 19974 14996 1 19 . 1 1 12 12 GLU CA C 12 59.210 59.210 59.188 0.022 19974 14997 1 19 . 1 1 12 12 GLU CB C 12 30.800 30.800 29.737 1.063 19974 14998 1 19 . 1 1 12 12 GLU H H 12 7.698 7.698 7.585 0.113 19974 14999 1 19 . 1 1 13 13 GLU N N 13 118.170 118.170 119.935 -1.765 19974 15000 1 19 . 1 1 13 13 GLU HA H 13 3.640 3.640 4.059 -0.419 19974 15001 1 19 . 1 1 13 13 GLU C C 13 178.070 178.070 178.923 -0.853 19974 15002 1 19 . 1 1 13 13 GLU CA C 13 60.539 60.539 59.395 1.143 19974 15003 1 19 . 1 1 13 13 GLU CB C 13 29.130 29.130 29.613 -0.483 19974 15004 1 19 . 1 1 13 13 GLU H H 13 8.493 8.493 8.531 -0.038 19974 15005 1 19 . 1 1 14 14 LYS N N 14 117.980 117.980 119.760 -1.780 19974 15006 1 19 . 1 1 14 14 LYS HA H 14 3.887 3.887 3.984 -0.097 19974 15007 1 19 . 1 1 14 14 LYS C C 14 177.420 177.420 178.939 -1.519 19974 15008 1 19 . 1 1 14 14 LYS CA C 14 59.350 59.350 59.582 -0.232 19974 15009 1 19 . 1 1 14 14 LYS CB C 14 32.200 32.200 32.270 -0.070 19974 15010 1 19 . 1 1 14 14 LYS H H 14 7.650 7.650 8.136 -0.486 19974 15011 1 19 . 1 1 15 15 ALA N N 15 119.210 119.210 121.750 -2.540 19974 15012 1 19 . 1 1 15 15 ALA HA H 15 4.098 4.098 4.105 -0.007 19974 15013 1 19 . 1 1 15 15 ALA C C 15 180.550 180.550 179.561 0.989 19974 15014 1 19 . 1 1 15 15 ALA CA C 15 54.600 54.600 54.915 -0.315 19974 15015 1 19 . 1 1 15 15 ALA CB C 15 17.790 17.790 18.514 -0.724 19974 15016 1 19 . 1 1 15 15 ALA H H 15 7.362 7.362 7.550 -0.188 19974 15017 1 19 . 1 1 16 16 ILE N N 16 119.990 119.990 119.141 0.849 19974 15018 1 19 . 1 1 16 16 ILE HA H 16 3.493 3.493 3.726 -0.233 19974 15019 1 19 . 1 1 16 16 ILE C C 16 176.510 176.510 177.499 -0.989 19974 15020 1 19 . 1 1 16 16 ILE CA C 16 65.072 65.072 63.889 1.183 19974 15021 1 19 . 1 1 16 16 ILE CB C 16 37.580 37.580 38.353 -0.773 19974 15022 1 19 . 1 1 16 16 ILE H H 16 7.592 7.592 7.382 0.210 19974 15023 1 19 . 1 1 17 17 VAL N N 17 121.520 121.520 122.110 -0.590 19974 15024 1 19 . 1 1 17 17 VAL HA H 17 3.504 3.504 3.533 -0.029 19974 15025 1 19 . 1 1 17 17 VAL C C 17 178.620 178.620 178.078 0.542 19974 15026 1 19 . 1 1 17 17 VAL CA C 17 67.324 67.324 66.916 0.408 19974 15027 1 19 . 1 1 17 17 VAL CB C 17 31.350 31.350 31.638 -0.288 19974 15028 1 19 . 1 1 17 17 VAL H H 17 8.155 8.155 8.371 -0.216 19974 15029 1 19 . 1 1 18 18 ASP N N 18 120.000 120.000 118.544 1.456 19974 15030 1 19 . 1 1 18 18 ASP HA H 18 4.223 4.223 4.344 -0.121 19974 15031 1 19 . 1 1 18 18 ASP C C 18 177.980 177.980 177.850 0.130 19974 15032 1 19 . 1 1 18 18 ASP CA C 18 57.050 57.050 57.153 -0.103 19974 15033 1 19 . 1 1 18 18 ASP CB C 18 39.410 39.410 40.508 -1.098 19974 15034 1 19 . 1 1 18 18 ASP H H 18 8.605 8.605 8.278 0.327 19974 15035 1 19 . 1 1 19 19 ALA N N 19 122.620 122.620 122.816 -0.196 19974 15036 1 19 . 1 1 19 19 ALA HA H 19 4.194 4.194 4.080 0.114 19974 15037 1 19 . 1 1 19 19 ALA C C 19 180.720 180.720 179.410 1.310 19974 15038 1 19 . 1 1 19 19 ALA CA C 19 54.970 54.970 54.803 0.167 19974 15039 1 19 . 1 1 19 19 ALA CB C 19 17.850 17.850 18.737 -0.887 19974 15040 1 19 . 1 1 19 19 ALA H H 19 7.702 7.702 7.132 0.570 19974 15041 1 19 . 1 1 20 20 ILE N N 20 122.620 122.620 118.855 3.765 19974 15042 1 19 . 1 1 20 20 ILE HA H 20 3.309 3.309 3.664 -0.355 19974 15043 1 19 . 1 1 20 20 ILE C C 20 176.740 176.740 178.174 -1.434 19974 15044 1 19 . 1 1 20 20 ILE CA C 20 66.830 66.830 64.049 2.781 19974 15045 1 19 . 1 1 20 20 ILE CB C 20 38.140 38.140 36.769 1.371 19974 15046 1 19 . 1 1 20 20 ILE H H 20 8.234 8.234 7.730 0.504 19974 15047 1 19 . 1 1 21 21 ARG N N 21 119.660 119.660 118.645 1.015 19974 15048 1 19 . 1 1 21 21 ARG HA H 21 3.899 3.899 4.286 -0.387 19974 15049 1 19 . 1 1 21 21 ARG C C 21 179.540 179.540 177.941 1.599 19974 15050 1 19 . 1 1 21 21 ARG CA C 21 58.990 58.990 58.817 0.173 19974 15051 1 19 . 1 1 21 21 ARG CB C 21 29.020 29.020 29.943 -0.923 19974 15052 1 19 . 1 1 21 21 ARG H H 21 8.212 8.212 7.943 0.269 19974 15053 1 19 . 1 1 22 22 ASP N N 22 118.640 118.640 118.709 -0.069 19974 15054 1 19 . 1 1 22 22 ASP HA H 22 4.239 4.239 4.572 -0.333 19974 15055 1 19 . 1 1 22 22 ASP C C 22 179.190 179.190 177.811 1.379 19974 15056 1 19 . 1 1 22 22 ASP CA C 22 57.270 57.270 56.172 1.098 19974 15057 1 19 . 1 1 22 22 ASP CB C 22 39.770 39.770 40.738 -0.968 19974 15058 1 19 . 1 1 22 22 ASP H H 22 8.137 8.137 7.536 0.601 19974 15059 1 19 . 1 1 23 23 ALA N N 23 126.120 126.120 124.376 1.744 19974 15060 1 19 . 1 1 23 23 ALA HA H 23 4.207 4.207 3.972 0.235 19974 15061 1 19 . 1 1 23 23 ALA C C 23 181.060 181.060 179.374 1.686 19974 15062 1 19 . 1 1 23 23 ALA CA C 23 55.430 55.430 55.160 0.270 19974 15063 1 19 . 1 1 23 23 ALA CB C 23 18.690 18.690 18.369 0.321 19974 15064 1 19 . 1 1 23 23 ALA H H 23 8.500 8.500 7.953 0.547 19974 15065 1 19 . 1 1 24 24 GLU N N 24 115.460 115.460 115.022 0.438 19974 15066 1 19 . 1 1 24 24 GLU HA H 24 4.213 4.213 4.293 -0.080 19974 15067 1 19 . 1 1 24 24 GLU C C 24 176.390 176.390 177.244 -0.854 19974 15068 1 19 . 1 1 24 24 GLU CA C 24 58.180 58.180 57.420 0.760 19974 15069 1 19 . 1 1 24 24 GLU CB C 24 28.200 28.200 28.904 -0.704 19974 15070 1 19 . 1 1 24 24 GLU H H 24 8.451 8.451 8.115 0.336 19974 15071 1 19 . 1 1 25 25 LYS N N 25 115.790 115.790 115.857 -0.067 19974 15072 1 19 . 1 1 25 25 LYS HA H 25 3.739 3.739 4.481 -0.742 19974 15073 1 19 . 1 1 25 25 LYS C C 25 176.020 176.020 175.751 0.269 19974 15074 1 19 . 1 1 25 25 LYS CA C 25 56.220 56.220 54.655 1.565 19974 15075 1 19 . 1 1 25 25 LYS CB C 25 32.070 32.070 31.850 0.220 19974 15076 1 19 . 1 1 25 25 LYS H H 25 7.083 7.083 7.513 -0.430 19974 15077 1 19 . 1 1 26 26 ASN N N 26 115.060 115.060 116.956 -1.896 19974 15078 1 19 . 1 1 26 26 ASN HA H 26 4.749 4.749 4.728 0.021 19974 15079 1 19 . 1 1 26 26 ASN C C 26 174.280 174.280 174.094 0.186 19974 15080 1 19 . 1 1 26 26 ASN CA C 26 53.050 53.050 53.667 -0.617 19974 15081 1 19 . 1 1 26 26 ASN CB C 26 40.410 40.410 41.376 -0.966 19974 15082 1 19 . 1 1 26 26 ASN H H 26 7.931 7.931 8.166 -0.235 19974 15083 1 19 . 1 1 27 27 THR N N 27 113.430 113.430 112.844 0.586 19974 15084 1 19 . 1 1 27 27 THR HA H 27 5.507 5.507 4.886 0.621 19974 15085 1 19 . 1 1 27 27 THR C C 27 170.850 170.850 173.164 -2.314 19974 15086 1 19 . 1 1 27 27 THR CA C 27 57.130 57.130 60.913 -3.783 19974 15087 1 19 . 1 1 27 27 THR CB C 27 70.200 70.200 69.983 0.217 19974 15088 1 19 . 1 1 27 27 THR H H 27 7.619 7.619 7.665 -0.046 19974 15089 1 19 . 1 1 28 28 SER N N 28 119.450 119.450 120.177 -0.727 19974 15090 1 19 . 1 1 28 28 SER HA H 28 4.773 4.773 4.771 0.002 19974 15091 1 19 . 1 1 28 28 SER C C 28 176.330 176.330 174.397 1.933 19974 15092 1 19 . 1 1 28 28 SER CA C 28 58.913 58.913 59.124 -0.211 19974 15093 1 19 . 1 1 28 28 SER CB C 28 64.360 64.360 63.421 0.939 19974 15094 1 19 . 1 1 28 28 SER H H 28 7.706 7.706 8.968 -1.262 19974 15095 1 19 . 1 1 29 29 GLY N N 29 111.350 111.350 109.695 1.655 19974 15096 1 19 . 1 1 29 29 GLY C C 29 171.210 171.210 172.612 -1.402 19974 15097 1 19 . 1 1 29 29 GLY CA C 29 44.643 44.643 44.544 0.099 19974 15098 1 19 . 1 1 29 29 GLY H H 29 9.011 9.011 7.331 1.680 19974 15099 1 19 . 1 1 30 30 GLU N N 30 120.620 120.620 123.353 -2.733 19974 15100 1 19 . 1 1 30 30 GLU HA H 30 4.867 4.867 4.931 -0.064 19974 15101 1 19 . 1 1 30 30 GLU C C 30 174.500 174.500 175.919 -1.419 19974 15102 1 19 . 1 1 30 30 GLU CA C 30 54.320 54.320 55.406 -1.086 19974 15103 1 19 . 1 1 30 30 GLU CB C 30 34.030 34.030 31.683 2.347 19974 15104 1 19 . 1 1 30 30 GLU H H 30 6.897 6.897 8.488 -1.591 19974 15105 1 19 . 1 1 31 31 ILE N N 31 121.650 121.650 123.105 -1.455 19974 15106 1 19 . 1 1 31 31 ILE HA H 31 5.171 5.171 4.759 0.412 19974 15107 1 19 . 1 1 31 31 ILE C C 31 175.550 175.550 175.963 -0.413 19974 15108 1 19 . 1 1 31 31 ILE CA C 31 59.740 59.740 60.221 -0.481 19974 15109 1 19 . 1 1 31 31 ILE CB C 31 42.520 42.520 40.077 2.443 19974 15110 1 19 . 1 1 31 31 ILE H H 31 8.546 8.546 8.108 0.438 19974 15111 1 19 . 1 1 32 32 ARG N N 32 121.690 121.690 124.738 -3.048 19974 15112 1 19 . 1 1 32 32 ARG HA H 32 4.951 4.951 4.782 0.169 19974 15113 1 19 . 1 1 32 32 ARG C C 32 173.740 173.740 174.255 -0.515 19974 15114 1 19 . 1 1 32 32 ARG CA C 32 55.220 55.220 54.752 0.468 19974 15115 1 19 . 1 1 32 32 ARG CB C 32 34.720 34.720 34.820 -0.100 19974 15116 1 19 . 1 1 32 32 ARG H H 32 8.751 8.751 8.685 0.066 19974 15117 1 19 . 1 1 33 33 VAL N N 33 120.770 120.770 121.845 -1.075 19974 15118 1 19 . 1 1 33 33 VAL HA H 33 4.972 4.972 4.638 0.334 19974 15119 1 19 . 1 1 33 33 VAL C C 33 173.790 173.790 174.024 -0.234 19974 15120 1 19 . 1 1 33 33 VAL CA C 33 59.700 59.700 61.266 -1.566 19974 15121 1 19 . 1 1 33 33 VAL CB C 33 34.820 34.820 34.281 0.539 19974 15122 1 19 . 1 1 33 33 VAL H H 33 8.617 8.617 8.895 -0.278 19974 15123 1 19 . 1 1 34 34 HIS N N 34 125.000 125.000 126.944 -1.944 19974 15124 1 19 . 1 1 34 34 HIS HA H 34 5.743 5.743 5.379 0.364 19974 15125 1 19 . 1 1 34 34 HIS C C 34 172.790 172.790 172.916 -0.126 19974 15126 1 19 . 1 1 34 34 HIS CA C 34 54.370 54.370 53.854 0.516 19974 15127 1 19 . 1 1 34 34 HIS CB C 34 36.840 36.840 32.684 4.156 19974 15128 1 19 . 1 1 34 34 HIS H H 34 8.552 8.552 9.212 -0.660 19974 15129 1 19 . 1 1 35 35 LEU N N 35 124.400 124.400 128.452 -4.052 19974 15130 1 19 . 1 1 35 35 LEU HA H 35 4.800 4.800 4.830 -0.030 19974 15131 1 19 . 1 1 35 35 LEU C C 35 174.490 174.490 174.119 0.371 19974 15132 1 19 . 1 1 35 35 LEU CA C 35 52.190 52.190 53.901 -1.711 19974 15133 1 19 . 1 1 35 35 LEU CB C 35 44.880 44.880 45.163 -0.283 19974 15134 1 19 . 1 1 35 35 LEU H H 35 8.006 8.006 7.920 0.086 19974 15135 1 19 . 1 1 36 36 GLU N N 36 116.112 116.112 125.350 -9.238 19974 15136 1 19 . 1 1 36 36 GLU HA H 36 4.573 4.573 4.508 0.065 19974 15137 1 19 . 1 1 36 36 GLU C C 36 174.350 174.350 175.188 -0.838 19974 15138 1 19 . 1 1 36 36 GLU CA C 36 54.130 54.130 54.992 -0.862 19974 15139 1 19 . 1 1 36 36 GLU CB C 36 31.960 31.960 33.193 -1.233 19974 15140 1 19 . 1 1 36 36 GLU H H 36 8.235 8.235 8.563 -0.328 19974 15141 1 19 . 1 1 37 37 LYS N N 37 121.210 121.210 121.404 -0.194 19974 15142 1 19 . 1 1 37 37 LYS HA H 37 3.731 3.731 4.067 -0.336 19974 15143 1 19 . 1 1 37 37 LYS C C 37 175.200 175.200 176.706 -1.506 19974 15144 1 19 . 1 1 37 37 LYS CA C 37 61.410 61.410 58.944 2.466 19974 15145 1 19 . 1 1 37 37 LYS CB C 37 33.090 33.090 33.112 -0.022 19974 15146 1 19 . 1 1 37 37 LYS H H 37 9.055 9.055 8.488 0.567 19974 15147 1 19 . 1 1 38 38 THR N N 38 107.310 107.310 111.102 -3.792 19974 15148 1 19 . 1 1 38 38 THR HA H 38 4.448 4.448 4.641 -0.193 19974 15149 1 19 . 1 1 38 38 THR C C 38 171.420 171.420 173.462 -2.042 19974 15150 1 19 . 1 1 38 38 THR CA C 38 59.530 59.530 60.893 -1.363 19974 15151 1 19 . 1 1 38 38 THR CB C 38 69.570 69.570 71.112 -1.542 19974 15152 1 19 . 1 1 38 38 THR H H 38 7.480 7.480 7.668 -0.188 19974 15153 1 19 . 1 1 39 39 SER N N 39 116.050 116.050 118.327 -2.277 19974 15154 1 19 . 1 1 39 39 SER HA H 39 4.641 4.641 4.790 -0.149 19974 15155 1 19 . 1 1 39 39 SER C C 39 175.590 175.590 174.837 0.753 19974 15156 1 19 . 1 1 39 39 SER CA C 39 57.340 57.340 57.519 -0.179 19974 15157 1 19 . 1 1 39 39 SER CB C 39 64.560 64.560 65.251 -0.691 19974 15158 1 19 . 1 1 39 39 SER H H 39 8.177 8.177 8.470 -0.293 19974 15159 1 19 . 1 1 40 40 GLU N N 40 124.630 124.630 120.934 3.696 19974 15160 1 19 . 1 1 40 40 GLU HA H 40 4.118 4.118 4.464 -0.346 19974 15161 1 19 . 1 1 40 40 GLU C C 40 176.520 176.520 175.773 0.747 19974 15162 1 19 . 1 1 40 40 GLU CA C 40 58.100 58.100 57.133 0.967 19974 15163 1 19 . 1 1 40 40 GLU CB C 40 29.950 29.950 29.952 -0.002 19974 15164 1 19 . 1 1 40 40 GLU H H 40 8.905 8.905 8.640 0.265 19974 15165 1 19 . 1 1 41 41 ILE N N 41 113.290 113.290 114.624 -1.334 19974 15166 1 19 . 1 1 41 41 ILE HA H 41 4.460 4.460 4.327 0.133 19974 15167 1 19 . 1 1 41 41 ILE C C 41 175.350 175.350 175.115 0.235 19974 15168 1 19 . 1 1 41 41 ILE CA C 41 59.490 59.490 59.553 -0.063 19974 15169 1 19 . 1 1 41 41 ILE CB C 41 40.150 40.150 38.904 1.246 19974 15170 1 19 . 1 1 41 41 ILE H H 41 7.446 7.446 7.387 0.059 19974 15171 1 19 . 1 1 42 42 ASP N N 42 122.230 122.230 122.361 -0.131 19974 15172 1 19 . 1 1 42 42 ASP HA H 42 4.280 4.280 4.878 -0.598 19974 15173 1 19 . 1 1 42 42 ASP C C 42 177.430 177.430 176.636 0.794 19974 15174 1 19 . 1 1 42 42 ASP CA C 42 55.360 55.360 53.723 1.637 19974 15175 1 19 . 1 1 42 42 ASP CB C 42 42.690 42.690 42.963 -0.273 19974 15176 1 19 . 1 1 42 42 ASP H H 42 8.271 8.271 8.328 -0.057 19974 15177 1 19 . 1 1 43 43 VAL N N 43 122.150 122.150 123.577 -1.427 19974 15178 1 19 . 1 1 43 43 VAL HA H 43 3.569 3.569 3.507 0.062 19974 15179 1 19 . 1 1 43 43 VAL C C 43 175.780 175.780 177.696 -1.916 19974 15180 1 19 . 1 1 43 43 VAL CA C 43 65.420 65.420 65.503 -0.083 19974 15181 1 19 . 1 1 43 43 VAL CB C 43 31.300 31.300 32.075 -0.775 19974 15182 1 19 . 1 1 43 43 VAL H H 43 8.160 8.160 8.701 -0.541 19974 15183 1 19 . 1 1 44 44 PHE N N 44 121.770 121.770 121.322 0.448 19974 15184 1 19 . 1 1 44 44 PHE HA H 44 3.892 3.892 4.129 -0.237 19974 15185 1 19 . 1 1 44 44 PHE C C 44 177.140 177.140 176.152 0.988 19974 15186 1 19 . 1 1 44 44 PHE CA C 44 62.190 62.190 61.594 0.595 19974 15187 1 19 . 1 1 44 44 PHE CB C 44 38.350 38.350 38.020 0.330 19974 15188 1 19 . 1 1 44 44 PHE H H 44 8.101 8.101 8.296 -0.195 19974 15189 1 19 . 1 1 45 45 ASP N N 45 119.540 119.540 118.556 0.984 19974 15190 1 19 . 1 1 45 45 ASP HA H 45 4.106 4.106 4.147 -0.041 19974 15191 1 19 . 1 1 45 45 ASP C C 45 178.380 178.380 179.203 -0.823 19974 15192 1 19 . 1 1 45 45 ASP CA C 45 57.010 57.010 57.714 -0.704 19974 15193 1 19 . 1 1 45 45 ASP CB C 45 37.900 37.900 39.857 -1.957 19974 15194 1 19 . 1 1 45 45 ASP H H 45 7.317 7.317 8.500 -1.183 19974 15195 1 19 . 1 1 46 46 ARG N N 46 119.920 119.920 119.583 0.337 19974 15196 1 19 . 1 1 46 46 ARG HA H 46 3.733 3.733 3.941 -0.208 19974 15197 1 19 . 1 1 46 46 ARG C C 46 176.750 176.750 178.177 -1.427 19974 15198 1 19 . 1 1 46 46 ARG CA C 46 57.136 57.136 58.507 -1.371 19974 15199 1 19 . 1 1 46 46 ARG CB C 46 28.590 28.590 29.625 -1.035 19974 15200 1 19 . 1 1 46 46 ARG H H 46 8.246 8.246 7.994 0.253 19974 15201 1 19 . 1 1 47 47 ALA N N 47 120.910 120.910 122.875 -1.965 19974 15202 1 19 . 1 1 47 47 ALA HA H 47 3.048 3.048 3.852 -0.804 19974 15203 1 19 . 1 1 47 47 ALA C C 47 177.810 177.810 179.032 -1.222 19974 15204 1 19 . 1 1 47 47 ALA CA C 47 55.010 55.010 54.994 0.016 19974 15205 1 19 . 1 1 47 47 ALA CB C 47 17.400 17.400 18.106 -0.706 19974 15206 1 19 . 1 1 47 47 ALA H H 47 7.803 7.803 7.978 -0.175 19974 15207 1 19 . 1 1 48 48 MET N N 48 115.800 115.800 118.086 -2.286 19974 15208 1 19 . 1 1 48 48 MET HA H 48 2.568 2.568 3.385 -0.817 19974 15209 1 19 . 1 1 48 48 MET C C 48 177.790 177.790 177.616 0.174 19974 15210 1 19 . 1 1 48 48 MET CA C 48 58.910 58.910 59.081 -0.171 19974 15211 1 19 . 1 1 48 48 MET CB C 48 32.750 32.750 32.020 0.730 19974 15212 1 19 . 1 1 48 48 MET H H 48 7.148 7.148 7.743 -0.595 19974 15213 1 19 . 1 1 49 49 ASP N N 49 121.130 121.130 119.262 1.868 19974 15214 1 19 . 1 1 49 49 ASP HA H 49 4.326 4.326 4.219 0.107 19974 15215 1 19 . 1 1 49 49 ASP C C 49 178.960 178.960 178.731 0.229 19974 15216 1 19 . 1 1 49 49 ASP CA C 49 57.330 57.330 57.572 -0.242 19974 15217 1 19 . 1 1 49 49 ASP CB C 49 40.180 40.180 40.845 -0.665 19974 15218 1 19 . 1 1 49 49 ASP H H 49 7.656 7.656 7.768 -0.112 19974 15219 1 19 . 1 1 50 50 VAL N N 50 122.030 122.030 119.860 2.170 19974 15220 1 19 . 1 1 50 50 VAL HA H 50 3.150 3.150 3.621 -0.471 19974 15221 1 19 . 1 1 50 50 VAL C C 50 176.610 176.610 177.817 -1.207 19974 15222 1 19 . 1 1 50 50 VAL CA C 50 66.980 66.980 66.079 0.901 19974 15223 1 19 . 1 1 50 50 VAL CB C 50 30.450 30.450 31.657 -1.207 19974 15224 1 19 . 1 1 50 50 VAL H H 50 8.506 8.506 8.183 0.323 19974 15225 1 19 . 1 1 51 51 PHE N N 51 120.010 120.010 121.528 -1.518 19974 15226 1 19 . 1 1 51 51 PHE HA H 51 3.701 3.701 4.197 -0.496 19974 15227 1 19 . 1 1 51 51 PHE C C 51 176.990 176.990 177.111 -0.121 19974 15228 1 19 . 1 1 51 51 PHE CA C 51 61.610 61.610 61.544 0.066 19974 15229 1 19 . 1 1 51 51 PHE CB C 51 39.350 39.350 39.303 0.047 19974 15230 1 19 . 1 1 51 51 PHE H H 51 8.236 8.236 8.330 -0.094 19974 15231 1 19 . 1 1 52 52 HIS N N 52 114.400 114.400 116.919 -2.519 19974 15232 1 19 . 1 1 52 52 HIS HA H 52 4.322 4.322 4.501 -0.179 19974 15233 1 19 . 1 1 52 52 HIS C C 52 179.389 179.389 178.364 1.025 19974 15234 1 19 . 1 1 52 52 HIS CA C 52 59.670 59.670 58.645 1.025 19974 15235 1 19 . 1 1 52 52 HIS CB C 52 28.380 28.380 29.944 -1.564 19974 15236 1 19 . 1 1 52 52 HIS H H 52 7.595 7.595 8.323 -0.728 19974 15237 1 19 . 1 1 53 53 ASN N N 53 125.300 125.300 118.593 6.707 19974 15238 1 19 . 1 1 53 53 ASN HA H 53 4.346 4.346 4.650 -0.304 19974 15239 1 19 . 1 1 53 53 ASN C C 53 177.560 177.560 176.671 0.889 19974 15240 1 19 . 1 1 53 53 ASN CA C 53 56.260 56.260 55.449 0.811 19974 15241 1 19 . 1 1 53 53 ASN CB C 53 38.020 38.020 38.466 -0.446 19974 15242 1 19 . 1 1 53 53 ASN H H 53 9.216 9.216 8.650 0.566 19974 15243 1 19 . 1 1 54 54 LEU N N 54 117.070 117.070 117.583 -0.513 19974 15244 1 19 . 1 1 54 54 LEU HA H 54 4.114 4.114 4.483 -0.369 19974 15245 1 19 . 1 1 54 54 LEU C C 54 175.780 175.780 175.599 0.181 19974 15246 1 19 . 1 1 54 54 LEU CA C 54 54.400 54.400 54.559 -0.159 19974 15247 1 19 . 1 1 54 54 LEU CB C 54 42.810 42.810 41.888 0.922 19974 15248 1 19 . 1 1 54 54 LEU H H 54 8.270 8.270 7.726 0.544 19974 15249 1 19 . 1 1 55 55 LYS N N 55 116.580 116.580 115.480 1.100 19974 15250 1 19 . 1 1 55 55 LYS HA H 55 3.954 3.954 3.974 -0.020 19974 15251 1 19 . 1 1 55 55 LYS C C 55 177.650 177.650 177.572 0.078 19974 15252 1 19 . 1 1 55 55 LYS CA C 55 56.630 56.630 57.630 -1.000 19974 15253 1 19 . 1 1 55 55 LYS CB C 55 28.110 28.110 30.093 -1.983 19974 15254 1 19 . 1 1 55 55 LYS H H 55 7.953 7.953 7.440 0.513 19974 15255 1 19 . 1 1 56 56 MET N N 56 114.460 114.460 116.444 -1.984 19974 15256 1 19 . 1 1 56 56 MET HA H 56 3.624 3.624 4.015 -0.391 19974 15257 1 19 . 1 1 56 56 MET C C 56 174.010 174.010 176.118 -2.108 19974 15258 1 19 . 1 1 56 56 MET CA C 56 56.800 56.800 58.669 -1.869 19974 15259 1 19 . 1 1 56 56 MET CB C 56 28.620 28.620 32.007 -3.387 19974 15260 1 19 . 1 1 56 56 MET H H 56 7.496 7.496 7.621 -0.125 19974 15261 1 19 . 1 1 57 57 ASP N N 57 113.610 113.610 116.932 -3.322 19974 15262 1 19 . 1 1 57 57 ASP HA H 57 4.490 4.490 4.366 0.124 19974 15263 1 19 . 1 1 57 57 ASP C C 57 176.060 176.060 175.695 0.365 19974 15264 1 19 . 1 1 57 57 ASP CA C 57 53.030 53.030 54.367 -1.337 19974 15265 1 19 . 1 1 57 57 ASP CB C 57 38.940 38.940 39.835 -0.895 19974 15266 1 19 . 1 1 57 57 ASP H H 57 8.921 8.921 7.704 1.217 19974 15267 1 19 . 1 1 58 58 ASN N N 58 119.880 119.880 119.881 -0.001 19974 15268 1 19 . 1 1 58 58 ASN HA H 58 4.885 4.885 4.727 0.158 19974 15269 1 19 . 1 1 58 58 ASN C C 58 174.060 174.060 174.354 -0.294 19974 15270 1 19 . 1 1 58 58 ASN CA C 58 52.190 52.190 53.079 -0.889 19974 15271 1 19 . 1 1 58 58 ASN CB C 58 37.230 37.230 38.128 -0.898 19974 15272 1 19 . 1 1 58 58 ASN H H 58 7.070 7.070 7.382 -0.312 19974 15273 1 19 . 1 1 59 59 THR N N 59 108.570 108.570 111.669 -3.099 19974 15274 1 19 . 1 1 59 59 THR HA H 59 4.449 4.449 4.617 -0.168 19974 15275 1 19 . 1 1 59 59 THR C C 59 175.810 175.810 174.810 1.000 19974 15276 1 19 . 1 1 59 59 THR CA C 59 59.600 59.600 60.201 -0.601 19974 15277 1 19 . 1 1 59 59 THR CB C 59 70.900 70.900 72.031 -1.131 19974 15278 1 19 . 1 1 59 59 THR H H 59 7.636 7.636 7.589 0.047 19974 15279 1 19 . 1 1 60 60 LYS N N 60 126.400 126.400 125.052 1.348 19974 15280 1 19 . 1 1 60 60 LYS HA H 60 3.923 3.923 4.128 -0.205 19974 15281 1 19 . 1 1 60 60 LYS C C 60 179.030 179.030 176.625 2.405 19974 15282 1 19 . 1 1 60 60 LYS CA C 60 59.600 59.600 58.863 0.737 19974 15283 1 19 . 1 1 60 60 LYS CB C 60 32.480 32.480 32.510 -0.030 19974 15284 1 19 . 1 1 60 60 LYS H H 60 10.322 10.322 8.910 1.412 19974 15285 1 19 . 1 1 61 61 LEU N N 61 114.780 114.780 116.320 -1.540 19974 15286 1 19 . 1 1 61 61 LEU HA H 61 4.430 4.430 4.467 -0.037 19974 15287 1 19 . 1 1 61 61 LEU C C 61 175.660 175.660 176.082 -0.422 19974 15288 1 19 . 1 1 61 61 LEU CA C 61 52.830 52.830 54.121 -1.291 19974 15289 1 19 . 1 1 61 61 LEU CB C 61 40.470 40.470 42.635 -2.165 19974 15290 1 19 . 1 1 61 61 LEU H H 61 8.555 8.555 7.733 0.822 19974 15291 1 19 . 1 1 62 62 GLN N N 62 116.490 116.490 114.173 2.317 19974 15292 1 19 . 1 1 62 62 GLN HA H 62 3.715 3.715 3.898 -0.183 19974 15293 1 19 . 1 1 62 62 GLN C C 62 175.060 175.060 174.854 0.206 19974 15294 1 19 . 1 1 62 62 GLN CA C 62 56.440 56.440 56.784 -0.344 19974 15295 1 19 . 1 1 62 62 GLN CB C 62 26.480 26.480 26.135 0.345 19974 15296 1 19 . 1 1 62 62 GLN H H 62 7.526 7.526 7.749 -0.223 19974 15297 1 19 . 1 1 63 63 ASN N N 63 114.760 114.760 115.891 -1.131 19974 15298 1 19 . 1 1 63 63 ASN HA H 63 4.352 4.352 4.839 -0.487 19974 15299 1 19 . 1 1 63 63 ASN C C 63 173.790 173.790 175.200 -1.410 19974 15300 1 19 . 1 1 63 63 ASN CA C 63 50.680 50.680 52.153 -1.473 19974 15301 1 19 . 1 1 63 63 ASN CB C 63 35.110 35.110 38.682 -3.572 19974 15302 1 19 . 1 1 63 63 ASN H H 63 8.243 8.243 7.784 0.459 19974 15303 1 19 . 1 1 64 64 GLY N N 64 105.820 105.820 108.116 -2.296 19974 15304 1 19 . 1 1 64 64 GLY C C 64 172.650 172.650 173.178 -0.528 19974 15305 1 19 . 1 1 64 64 GLY CA C 64 44.136 44.136 45.128 -0.992 19974 15306 1 19 . 1 1 64 64 GLY H H 64 8.618 8.618 8.005 0.613 19974 15307 1 19 . 1 1 65 65 VAL N N 65 120.490 120.490 126.724 -6.234 19974 15308 1 19 . 1 1 65 65 VAL HA H 65 4.814 4.814 4.275 0.539 19974 15309 1 19 . 1 1 65 65 VAL C C 65 172.610 172.610 174.392 -1.782 19974 15310 1 19 . 1 1 65 65 VAL CA C 65 60.890 60.890 62.008 -1.118 19974 15311 1 19 . 1 1 65 65 VAL CB C 65 35.570 35.570 33.693 1.877 19974 15312 1 19 . 1 1 65 65 VAL H H 65 9.053 9.053 9.204 -0.151 19974 15313 1 19 . 1 1 66 66 LEU N N 66 127.740 127.740 128.273 -0.533 19974 15314 1 19 . 1 1 66 66 LEU HA H 66 5.097 5.097 5.403 -0.306 19974 15315 1 19 . 1 1 66 66 LEU C C 66 175.120 175.120 174.667 0.453 19974 15316 1 19 . 1 1 66 66 LEU CA C 66 51.870 51.870 53.595 -1.725 19974 15317 1 19 . 1 1 66 66 LEU CB C 66 47.520 47.520 46.848 0.672 19974 15318 1 19 . 1 1 66 66 LEU H H 66 9.245 9.245 9.159 0.086 19974 15319 1 19 . 1 1 67 67 ILE N N 67 126.030 126.030 126.934 -0.904 19974 15320 1 19 . 1 1 67 67 ILE HA H 67 4.484 4.484 4.833 -0.349 19974 15321 1 19 . 1 1 67 67 ILE C C 67 173.290 173.290 174.818 -1.528 19974 15322 1 19 . 1 1 67 67 ILE CA C 67 61.090 61.090 60.208 0.882 19974 15323 1 19 . 1 1 67 67 ILE CB C 67 37.480 37.480 38.366 -0.886 19974 15324 1 19 . 1 1 67 67 ILE H H 67 8.974 8.974 9.122 -0.148 19974 15325 1 19 . 1 1 68 68 TYR N N 68 129.400 129.400 130.083 -0.683 19974 15326 1 19 . 1 1 68 68 TYR HA H 68 4.887 4.887 5.097 -0.210 19974 15327 1 19 . 1 1 68 68 TYR C C 68 174.140 174.140 174.028 0.112 19974 15328 1 19 . 1 1 68 68 TYR CA C 68 56.990 56.990 57.991 -1.001 19974 15329 1 19 . 1 1 68 68 TYR CB C 68 40.790 40.790 39.706 1.084 19974 15330 1 19 . 1 1 68 68 TYR H H 68 8.999 8.999 8.958 0.041 19974 15331 1 19 . 1 1 69 69 VAL N N 69 126.790 126.790 128.059 -1.269 19974 15332 1 19 . 1 1 69 69 VAL HA H 69 4.401 4.401 4.673 -0.272 19974 15333 1 19 . 1 1 69 69 VAL C C 69 172.350 172.350 173.654 -1.304 19974 15334 1 19 . 1 1 69 69 VAL CA C 69 60.810 60.810 60.768 0.042 19974 15335 1 19 . 1 1 69 69 VAL CB C 69 34.360 34.360 35.443 -1.083 19974 15336 1 19 . 1 1 69 69 VAL H H 69 8.378 8.378 8.767 -0.389 19974 15337 1 19 . 1 1 70 70 ALA N N 70 129.770 129.770 130.275 -0.505 19974 15338 1 19 . 1 1 70 70 ALA HA H 70 4.592 4.592 5.124 -0.532 19974 15339 1 19 . 1 1 70 70 ALA C C 70 177.620 177.620 178.075 -0.455 19974 15340 1 19 . 1 1 70 70 ALA CA C 70 49.210 49.210 50.100 -0.890 19974 15341 1 19 . 1 1 70 70 ALA CB C 70 17.470 17.470 19.067 -1.597 19974 15342 1 19 . 1 1 70 70 ALA H H 70 8.078 8.078 8.374 -0.296 19974 15343 1 19 . 1 1 71 71 VAL N N 71 120.880 120.880 120.507 0.373 19974 15344 1 19 . 1 1 71 71 VAL HA H 71 2.847 2.847 3.542 -0.695 19974 15345 1 19 . 1 1 71 71 VAL C C 71 178.310 178.310 176.631 1.679 19974 15346 1 19 . 1 1 71 71 VAL CA C 71 66.030 66.030 64.444 1.586 19974 15347 1 19 . 1 1 71 71 VAL CB C 71 32.110 32.110 30.896 1.214 19974 15348 1 19 . 1 1 71 71 VAL H H 71 8.597 8.597 8.520 0.077 19974 15349 1 19 . 1 1 72 72 GLU N N 72 119.350 119.350 119.203 0.147 19974 15350 1 19 . 1 1 72 72 GLU HA H 72 3.955 3.955 4.296 -0.341 19974 15351 1 19 . 1 1 72 72 GLU C C 72 177.650 177.650 177.597 0.053 19974 15352 1 19 . 1 1 72 72 GLU CA C 72 59.260 59.260 58.421 0.839 19974 15353 1 19 . 1 1 72 72 GLU CB C 72 28.940 28.940 29.598 -0.657 19974 15354 1 19 . 1 1 72 72 GLU H H 72 9.107 9.107 7.873 1.234 19974 15355 1 19 . 1 1 73 73 ASP N N 73 115.250 115.250 117.841 -2.591 19974 15356 1 19 . 1 1 73 73 ASP HA H 73 4.544 4.544 4.777 -0.234 19974 15357 1 19 . 1 1 73 73 ASP C C 73 175.460 175.460 175.947 -0.487 19974 15358 1 19 . 1 1 73 73 ASP CA C 73 54.030 54.030 53.719 0.311 19974 15359 1 19 . 1 1 73 73 ASP CB C 73 41.350 41.350 41.381 -0.031 19974 15360 1 19 . 1 1 73 73 ASP H H 73 7.039 7.039 7.635 -0.596 19974 15361 1 19 . 1 1 74 74 LYS N N 74 115.850 115.850 118.419 -2.569 19974 15362 1 19 . 1 1 74 74 LYS HA H 74 3.502 3.502 3.857 -0.355 19974 15363 1 19 . 1 1 74 74 LYS C C 74 174.920 174.920 175.290 -0.370 19974 15364 1 19 . 1 1 74 74 LYS CA C 74 57.180 57.180 57.549 -0.369 19974 15365 1 19 . 1 1 74 74 LYS CB C 74 29.100 29.100 31.028 -1.928 19974 15366 1 19 . 1 1 74 74 LYS H H 74 8.012 8.012 7.851 0.161 19974 15367 1 19 . 1 1 75 75 THR N N 75 111.710 111.710 112.597 -0.887 19974 15368 1 19 . 1 1 75 75 THR HA H 75 4.725 4.725 4.794 -0.069 19974 15369 1 19 . 1 1 75 75 THR C C 75 172.150 172.150 172.826 -0.676 19974 15370 1 19 . 1 1 75 75 THR CA C 75 60.740 60.740 60.114 0.626 19974 15371 1 19 . 1 1 75 75 THR CB C 75 70.900 70.900 71.085 -0.185 19974 15372 1 19 . 1 1 75 75 THR H H 75 7.763 7.763 7.446 0.317 19974 15373 1 19 . 1 1 76 76 PHE N N 76 117.220 117.220 118.362 -1.142 19974 15374 1 19 . 1 1 76 76 PHE HA H 76 5.968 5.968 5.490 0.478 19974 15375 1 19 . 1 1 76 76 PHE C C 76 173.250 173.250 173.336 -0.086 19974 15376 1 19 . 1 1 76 76 PHE CA C 76 54.920 54.920 55.385 -0.465 19974 15377 1 19 . 1 1 76 76 PHE CB C 76 42.780 42.780 41.593 1.187 19974 15378 1 19 . 1 1 76 76 PHE H H 76 7.992 7.992 7.816 0.176 19974 15379 1 19 . 1 1 77 77 VAL N N 77 120.030 120.030 121.599 -1.569 19974 15380 1 19 . 1 1 77 77 VAL HA H 77 4.015 4.015 4.516 -0.501 19974 15381 1 19 . 1 1 77 77 VAL C C 77 173.310 173.310 174.276 -0.966 19974 15382 1 19 . 1 1 77 77 VAL CA C 77 60.840 60.840 61.086 -0.246 19974 15383 1 19 . 1 1 77 77 VAL CB C 77 37.410 37.410 36.387 1.023 19974 15384 1 19 . 1 1 77 77 VAL H H 77 9.447 9.447 9.160 0.287 19974 15385 1 19 . 1 1 78 78 ILE N N 78 125.240 125.240 123.902 1.338 19974 15386 1 19 . 1 1 78 78 ILE HA H 78 4.433 4.433 5.102 -0.669 19974 15387 1 19 . 1 1 78 78 ILE C C 78 174.090 174.090 174.915 -0.825 19974 15388 1 19 . 1 1 78 78 ILE CA C 78 60.081 60.081 60.123 -0.042 19974 15389 1 19 . 1 1 78 78 ILE CB C 78 38.340 38.340 39.956 -1.616 19974 15390 1 19 . 1 1 78 78 ILE H H 78 8.155 8.155 8.334 -0.179 19974 15391 1 19 . 1 1 79 79 TYR N N 79 130.130 130.130 128.399 1.731 19974 15392 1 19 . 1 1 79 79 TYR HA H 79 4.422 4.422 4.907 -0.485 19974 15393 1 19 . 1 1 79 79 TYR C C 79 172.740 172.740 173.335 -0.595 19974 15394 1 19 . 1 1 79 79 TYR CA C 79 57.390 57.390 56.678 0.712 19974 15395 1 19 . 1 1 79 79 TYR CB C 79 40.820 40.820 43.018 -2.198 19974 15396 1 19 . 1 1 79 79 TYR H H 79 9.328 9.328 9.240 0.088 19974 15397 1 19 . 1 1 80 80 GLY N N 80 114.140 114.140 112.639 1.501 19974 15398 1 19 . 1 1 80 80 GLY C C 80 171.090 171.090 172.341 -1.251 19974 15399 1 19 . 1 1 80 80 GLY CA C 80 42.860 42.860 43.611 -0.751 19974 15400 1 19 . 1 1 80 80 GLY H H 80 7.837 7.837 7.711 0.126 19974 15401 1 19 . 1 1 81 81 ASP N N 81 115.660 115.660 121.066 -5.406 19974 15402 1 19 . 1 1 81 81 ASP HA H 81 4.248 4.248 4.554 -0.306 19974 15403 1 19 . 1 1 81 81 ASP C C 81 176.980 176.980 177.846 -0.866 19974 15404 1 19 . 1 1 81 81 ASP CA C 81 51.950 51.950 53.182 -1.232 19974 15405 1 19 . 1 1 81 81 ASP CB C 81 41.260 41.260 43.525 -2.265 19974 15406 1 19 . 1 1 81 81 ASP H H 81 7.633 7.633 8.541 -0.908 19974 15407 1 19 . 1 1 82 82 LYS N N 82 120.470 120.470 121.484 -1.014 19974 15408 1 19 . 1 1 82 82 LYS HA H 82 3.764 3.764 3.972 -0.208 19974 15409 1 19 . 1 1 82 82 LYS C C 82 176.350 176.350 178.568 -2.218 19974 15410 1 19 . 1 1 82 82 LYS CA C 82 59.290 59.290 59.867 -0.577 19974 15411 1 19 . 1 1 82 82 LYS CB C 82 33.720 33.720 32.370 1.350 19974 15412 1 19 . 1 1 82 82 LYS H H 82 9.212 9.212 8.688 0.524 19974 15413 1 19 . 1 1 83 83 GLY N N 83 105.260 105.260 108.278 -3.018 19974 15414 1 19 . 1 1 83 83 GLY C C 83 176.540 176.540 175.993 0.547 19974 15415 1 19 . 1 1 83 83 GLY CA C 83 46.260 46.260 47.169 -0.909 19974 15416 1 19 . 1 1 83 83 GLY H H 83 8.367 8.367 7.979 0.388 19974 15417 1 19 . 1 1 84 84 ILE N N 84 117.510 117.510 122.961 -5.451 19974 15418 1 19 . 1 1 84 84 ILE HA H 84 3.644 3.644 3.604 0.040 19974 15419 1 19 . 1 1 84 84 ILE C C 84 177.010 177.010 177.938 -0.928 19974 15420 1 19 . 1 1 84 84 ILE CA C 84 63.636 63.636 65.784 -2.148 19974 15421 1 19 . 1 1 84 84 ILE CB C 84 38.820 38.820 37.931 0.889 19974 15422 1 19 . 1 1 84 84 ILE H H 84 7.040 7.040 7.412 -0.372 19974 15423 1 19 . 1 1 85 85 ASN N N 85 117.400 117.400 116.661 0.739 19974 15424 1 19 . 1 1 85 85 ASN HA H 85 4.115 4.115 4.399 -0.284 19974 15425 1 19 . 1 1 85 85 ASN C C 85 176.600 176.600 176.605 -0.005 19974 15426 1 19 . 1 1 85 85 ASN CA C 85 55.840 55.840 55.624 0.216 19974 15427 1 19 . 1 1 85 85 ASN CB C 85 37.720 37.720 38.047 -0.327 19974 15428 1 19 . 1 1 85 85 ASN H H 85 7.351 7.351 7.741 -0.390 19974 15429 1 19 . 1 1 86 86 ASP N N 86 115.890 115.890 119.277 -3.387 19974 15430 1 19 . 1 1 86 86 ASP HA H 86 4.391 4.391 4.575 -0.184 19974 15431 1 19 . 1 1 86 86 ASP C C 86 177.240 177.240 177.723 -0.483 19974 15432 1 19 . 1 1 86 86 ASP CA C 86 56.260 56.260 56.371 -0.111 19974 15433 1 19 . 1 1 86 86 ASP CB C 86 41.200 41.200 41.299 -0.099 19974 15434 1 19 . 1 1 86 86 ASP H H 86 8.377 8.377 8.281 0.096 19974 15435 1 19 . 1 1 87 87 VAL N N 87 109.640 109.640 117.643 -8.003 19974 15436 1 19 . 1 1 87 87 VAL HA H 87 4.473 4.473 4.103 0.370 19974 15437 1 19 . 1 1 87 87 VAL C C 87 175.780 175.780 175.866 -0.086 19974 15438 1 19 . 1 1 87 87 VAL CA C 87 61.320 61.320 63.178 -1.858 19974 15439 1 19 . 1 1 87 87 VAL CB C 87 34.170 34.170 33.477 0.693 19974 15440 1 19 . 1 1 87 87 VAL H H 87 7.196 7.196 7.886 -0.690 19974 15441 1 19 . 1 1 88 88 VAL N N 88 113.200 113.200 112.721 0.479 19974 15442 1 19 . 1 1 88 88 VAL HA H 88 3.789 3.789 4.217 -0.428 19974 15443 1 19 . 1 1 88 88 VAL C C 88 175.760 175.760 174.398 1.362 19974 15444 1 19 . 1 1 88 88 VAL CA C 88 60.640 60.640 59.551 1.089 19974 15445 1 19 . 1 1 88 88 VAL CB C 88 32.970 32.970 34.104 -1.134 19974 15446 1 19 . 1 1 88 88 VAL H H 88 6.921 6.921 7.813 -0.892 19974 15447 1 19 . 1 1 89 89 SER N N 89 114.460 114.460 117.576 -3.116 19974 15448 1 19 . 1 1 89 89 SER HA H 89 4.546 4.546 4.734 -0.188 19974 15449 1 19 . 1 1 89 89 SER C C 89 175.720 175.720 174.812 0.908 19974 15450 1 19 . 1 1 89 89 SER CA C 89 57.330 57.330 57.258 0.072 19974 15451 1 19 . 1 1 89 89 SER CB C 89 64.500 64.500 65.066 -0.566 19974 15452 1 19 . 1 1 89 89 SER H H 89 7.738 7.738 8.596 -0.858 19974 15453 1 19 . 1 1 90 90 ASP N N 90 120.250 120.250 121.374 -1.124 19974 15454 1 19 . 1 1 90 90 ASP HA H 90 4.361 4.361 4.346 0.015 19974 15455 1 19 . 1 1 90 90 ASP C C 90 176.630 176.630 177.929 -1.299 19974 15456 1 19 . 1 1 90 90 ASP CA C 90 57.050 57.050 57.663 -0.613 19974 15457 1 19 . 1 1 90 90 ASP CB C 90 40.540 40.540 40.664 -0.124 19974 15458 1 19 . 1 1 90 90 ASP H H 90 8.687 8.687 8.828 -0.141 19974 15459 1 19 . 1 1 91 91 ASP N N 91 116.800 116.800 117.420 -0.620 19974 15460 1 19 . 1 1 91 91 ASP HA H 91 4.605 4.605 4.644 -0.039 19974 15461 1 19 . 1 1 91 91 ASP C C 91 177.610 177.610 178.362 -0.752 19974 15462 1 19 . 1 1 91 91 ASP CA C 91 52.890 52.890 56.946 -4.056 19974 15463 1 19 . 1 1 91 91 ASP CB C 91 40.230 40.230 40.580 -0.350 19974 15464 1 19 . 1 1 91 91 ASP H H 91 8.250 8.250 8.758 -0.508 19974 15465 1 19 . 1 1 92 92 PHE N N 92 122.130 122.130 121.283 0.847 19974 15466 1 19 . 1 1 92 92 PHE HA H 92 3.857 3.857 4.389 -0.532 19974 15467 1 19 . 1 1 92 92 PHE C C 92 177.040 177.040 176.705 0.335 19974 15468 1 19 . 1 1 92 92 PHE CA C 92 61.910 61.910 60.696 1.214 19974 15469 1 19 . 1 1 92 92 PHE CB C 92 40.696 40.696 39.637 1.059 19974 15470 1 19 . 1 1 92 92 PHE H H 92 7.564 7.564 7.823 -0.259 19974 15471 1 19 . 1 1 93 93 TRP N N 93 113.980 113.980 119.831 -5.851 19974 15472 1 19 . 1 1 93 93 TRP HA H 93 4.726 4.726 4.504 0.222 19974 15473 1 19 . 1 1 93 93 TRP C C 93 176.420 176.420 178.115 -1.695 19974 15474 1 19 . 1 1 93 93 TRP CA C 93 56.020 56.020 59.504 -3.484 19974 15475 1 19 . 1 1 93 93 TRP CB C 93 29.990 29.990 29.122 0.868 19974 15476 1 19 . 1 1 93 93 TRP H H 93 8.532 8.532 7.912 0.620 19974 15477 1 19 . 1 1 94 94 ASP N N 94 122.120 122.120 119.285 2.835 19974 15478 1 19 . 1 1 94 94 ASP HA H 94 4.228 4.228 4.410 -0.182 19974 15479 1 19 . 1 1 94 94 ASP C C 94 178.550 178.550 178.606 -0.056 19974 15480 1 19 . 1 1 94 94 ASP CA C 94 59.120 59.120 58.133 0.987 19974 15481 1 19 . 1 1 94 94 ASP CB C 94 39.140 39.140 40.191 -1.050 19974 15482 1 19 . 1 1 94 94 ASP H H 94 7.904 7.904 8.918 -1.014 19974 15483 1 19 . 1 1 95 95 THR N N 95 111.200 111.200 115.266 -4.066 19974 15484 1 19 . 1 1 95 95 THR HA H 95 4.004 4.004 4.014 -0.010 19974 15485 1 19 . 1 1 95 95 THR C C 95 177.630 177.630 176.546 1.084 19974 15486 1 19 . 1 1 95 95 THR CA C 95 65.560 65.560 66.745 -1.185 19974 15487 1 19 . 1 1 95 95 THR CB C 95 68.230 68.230 68.564 -0.334 19974 15488 1 19 . 1 1 95 95 THR H H 95 8.559 8.559 7.784 0.775 19974 15489 1 19 . 1 1 96 96 THR N N 96 123.230 123.230 118.846 4.384 19974 15490 1 19 . 1 1 96 96 THR HA H 96 3.725 3.725 3.793 -0.068 19974 15491 1 19 . 1 1 96 96 THR C C 96 175.410 175.410 176.512 -1.102 19974 15492 1 19 . 1 1 96 96 THR CA C 96 68.286 68.286 66.770 1.516 19974 15493 1 19 . 1 1 96 96 THR CB C 96 68.200 68.200 68.396 -0.196 19974 15494 1 19 . 1 1 96 96 THR H H 96 7.991 7.991 7.436 0.555 19974 15495 1 19 . 1 1 97 97 ARG N N 97 119.960 119.960 121.125 -1.165 19974 15496 1 19 . 1 1 97 97 ARG HA H 97 3.829 3.829 3.971 -0.142 19974 15497 1 19 . 1 1 97 97 ARG C C 97 178.320 178.320 178.761 -0.441 19974 15498 1 19 . 1 1 97 97 ARG CA C 97 60.390 60.390 59.966 0.424 19974 15499 1 19 . 1 1 97 97 ARG CB C 97 29.870 29.870 30.207 -0.337 19974 15500 1 19 . 1 1 97 97 ARG H H 97 8.825 8.825 8.017 0.808 19974 15501 1 19 . 1 1 98 98 ASN N N 98 115.680 115.680 117.913 -2.233 19974 15502 1 19 . 1 1 98 98 ASN HA H 98 4.390 4.390 4.472 -0.082 19974 15503 1 19 . 1 1 98 98 ASN C C 98 176.620 176.620 177.602 -0.982 19974 15504 1 19 . 1 1 98 98 ASN CA C 98 56.050 56.050 56.118 -0.069 19974 15505 1 19 . 1 1 98 98 ASN CB C 98 38.220 38.220 38.017 0.203 19974 15506 1 19 . 1 1 98 98 ASN H H 98 8.508 8.508 8.393 0.115 19974 15507 1 19 . 1 1 99 99 ALA N N 99 120.830 120.830 123.454 -2.624 19974 15508 1 19 . 1 1 99 99 ALA HA H 99 4.020 4.020 4.015 0.005 19974 15509 1 19 . 1 1 99 99 ALA C C 99 179.800 179.800 179.146 0.654 19974 15510 1 19 . 1 1 99 99 ALA CA C 99 54.770 54.770 55.020 -0.250 19974 15511 1 19 . 1 1 99 99 ALA CB C 99 18.110 18.110 18.670 -0.560 19974 15512 1 19 . 1 1 99 99 ALA H H 99 7.447 7.447 7.572 -0.125 19974 15513 1 19 . 1 1 100 100 ILE N N 100 116.240 116.240 119.583 -3.343 19974 15514 1 19 . 1 1 100 100 ILE HA H 100 3.203 3.203 3.428 -0.225 19974 15515 1 19 . 1 1 100 100 ILE C C 100 178.050 178.050 177.718 0.332 19974 15516 1 19 . 1 1 100 100 ILE CA C 100 64.550 64.550 65.109 -0.559 19974 15517 1 19 . 1 1 100 100 ILE CB C 100 37.640 37.640 37.247 0.393 19974 15518 1 19 . 1 1 100 100 ILE H H 100 7.339 7.339 7.578 -0.239 19974 15519 1 19 . 1 1 101 101 GLN N N 101 118.750 118.750 118.909 -0.159 19974 15520 1 19 . 1 1 101 101 GLN HA H 101 3.917 3.917 3.679 0.237 19974 15521 1 19 . 1 1 101 101 GLN C C 101 177.870 177.870 178.336 -0.466 19974 15522 1 19 . 1 1 101 101 GLN CA C 101 59.200 59.200 59.154 0.046 19974 15523 1 19 . 1 1 101 101 GLN CB C 101 28.860 28.860 28.909 -0.049 19974 15524 1 19 . 1 1 101 101 GLN H H 101 8.359 8.359 8.210 0.149 19974 15525 1 19 . 1 1 102 102 LEU N N 102 117.790 117.790 120.454 -2.664 19974 15526 1 19 . 1 1 102 102 LEU HA H 102 3.951 3.951 4.047 -0.096 19974 15527 1 19 . 1 1 102 102 LEU C C 102 179.550 179.550 179.084 0.466 19974 15528 1 19 . 1 1 102 102 LEU CA C 102 58.190 58.190 58.152 0.038 19974 15529 1 19 . 1 1 102 102 LEU CB C 102 42.320 42.320 41.780 0.540 19974 15530 1 19 . 1 1 102 102 LEU H H 102 8.119 8.119 7.653 0.466 19974 15531 1 19 . 1 1 103 103 GLN N N 103 113.650 113.650 118.323 -4.673 19974 15532 1 19 . 1 1 103 103 GLN HA H 103 4.426 4.426 4.160 0.266 19974 15533 1 19 . 1 1 103 103 GLN C C 103 179.680 179.680 178.655 1.025 19974 15534 1 19 . 1 1 103 103 GLN CA C 103 56.550 56.550 58.628 -2.078 19974 15535 1 19 . 1 1 103 103 GLN CB C 103 27.480 27.480 28.311 -0.831 19974 15536 1 19 . 1 1 103 103 GLN H H 103 6.636 6.636 7.762 -1.126 19974 15537 1 19 . 1 1 104 104 PHE N N 104 123.740 123.740 120.488 3.252 19974 15538 1 19 . 1 1 104 104 PHE HA H 104 3.895 3.895 4.375 -0.480 19974 15539 1 19 . 1 1 104 104 PHE C C 104 180.130 180.130 177.972 2.158 19974 15540 1 19 . 1 1 104 104 PHE CA C 104 59.760 59.760 61.126 -1.366 19974 15541 1 19 . 1 1 104 104 PHE CB C 104 36.620 36.620 38.930 -2.310 19974 15542 1 19 . 1 1 104 104 PHE H H 104 9.161 9.161 8.611 0.550 19974 15543 1 19 . 1 1 105 105 LYS N N 105 119.280 119.280 118.620 0.660 19974 15544 1 19 . 1 1 105 105 LYS HA H 105 4.126 4.126 4.041 0.085 19974 15545 1 19 . 1 1 105 105 LYS C C 105 177.290 177.290 178.493 -1.203 19974 15546 1 19 . 1 1 105 105 LYS CA C 105 58.913 58.913 59.117 -0.204 19974 15547 1 19 . 1 1 105 105 LYS CB C 105 31.920 31.920 32.185 -0.265 19974 15548 1 19 . 1 1 105 105 LYS H H 105 8.519 8.519 8.253 0.266 19974 15549 1 19 . 1 1 106 106 GLN N N 106 114.530 114.530 116.794 -2.264 19974 15550 1 19 . 1 1 106 106 GLN HA H 106 4.415 4.415 4.133 0.282 19974 15551 1 19 . 1 1 106 106 GLN C C 106 175.450 175.450 177.219 -1.769 19974 15552 1 19 . 1 1 106 106 GLN CA C 106 54.850 54.850 57.674 -2.824 19974 15553 1 19 . 1 1 106 106 GLN CB C 106 30.010 30.010 29.611 0.399 19974 15554 1 19 . 1 1 106 106 GLN H H 106 6.934 6.934 7.774 -0.840 19974 15555 1 19 . 1 1 107 107 GLY N N 107 106.800 106.800 106.417 0.383 19974 15556 1 19 . 1 1 107 107 GLY C C 107 173.140 173.140 173.914 -0.774 19974 15557 1 19 . 1 1 107 107 GLY CA C 107 44.930 44.930 44.537 0.393 19974 15558 1 19 . 1 1 107 107 GLY H H 107 7.722 7.722 8.123 -0.401 19974 15559 1 19 . 1 1 108 108 ASN N N 108 120.230 120.230 120.718 -0.488 19974 15560 1 19 . 1 1 108 108 ASN HA H 108 4.827 4.827 4.774 0.053 19974 15561 1 19 . 1 1 108 108 ASN C C 108 174.820 174.820 174.955 -0.135 19974 15562 1 19 . 1 1 108 108 ASN CA C 108 50.520 50.520 50.541 -0.021 19974 15563 1 19 . 1 1 108 108 ASN CB C 108 37.090 37.090 37.594 -0.504 19974 15564 1 19 . 1 1 108 108 ASN H H 108 7.654 7.654 8.033 -0.379 19974 15565 1 19 . 1 1 109 109 PHE N N 109 122.130 122.130 122.422 -0.292 19974 15566 1 19 . 1 1 109 109 PHE HA H 109 4.038 4.038 3.623 0.415 19974 15567 1 19 . 1 1 109 109 PHE C C 109 177.270 177.270 177.488 -0.218 19974 15568 1 19 . 1 1 109 109 PHE CA C 109 60.670 60.670 60.549 0.121 19974 15569 1 19 . 1 1 109 109 PHE CB C 109 38.220 38.220 38.036 0.184 19974 15570 1 19 . 1 1 109 109 PHE H H 109 7.231 7.231 6.924 0.307 19974 15571 1 19 . 1 1 110 110 LYS N N 110 118.670 118.670 119.806 -1.136 19974 15572 1 19 . 1 1 110 110 LYS HA H 110 3.610 3.610 3.850 -0.240 19974 15573 1 19 . 1 1 110 110 LYS C C 110 177.680 177.680 178.439 -0.759 19974 15574 1 19 . 1 1 110 110 LYS CA C 110 60.050 60.050 60.495 -0.445 19974 15575 1 19 . 1 1 110 110 LYS CB C 110 29.680 29.680 32.105 -2.425 19974 15576 1 19 . 1 1 110 110 LYS H H 110 8.727 8.727 8.620 0.107 19974 15577 1 19 . 1 1 111 111 GLN N N 111 117.980 117.980 118.245 -0.265 19974 15578 1 19 . 1 1 111 111 GLN HA H 111 3.491 3.491 4.079 -0.588 19974 15579 1 19 . 1 1 111 111 GLN C C 111 177.640 177.640 178.602 -0.962 19974 15580 1 19 . 1 1 111 111 GLN CA C 111 57.530 57.530 58.844 -1.314 19974 15581 1 19 . 1 1 111 111 GLN CB C 111 28.460 28.460 28.053 0.407 19974 15582 1 19 . 1 1 111 111 GLN H H 111 8.442 8.442 8.226 0.216 19974 15583 1 19 . 1 1 112 112 GLY N N 112 103.740 103.740 108.007 -4.267 19974 15584 1 19 . 1 1 112 112 GLY C C 112 173.970 173.970 176.546 -2.576 19974 15585 1 19 . 1 1 112 112 GLY CA C 112 48.730 48.730 47.126 1.604 19974 15586 1 19 . 1 1 112 112 GLY H H 112 8.196 8.196 8.287 -0.091 19974 15587 1 19 . 1 1 113 113 LEU N N 113 119.640 119.640 122.994 -3.354 19974 15588 1 19 . 1 1 113 113 LEU HA H 113 3.868 3.868 3.981 -0.113 19974 15589 1 19 . 1 1 113 113 LEU C C 113 177.480 177.480 178.891 -1.411 19974 15590 1 19 . 1 1 113 113 LEU CA C 113 58.150 58.150 57.782 0.368 19974 15591 1 19 . 1 1 113 113 LEU CB C 113 41.920 41.920 42.047 -0.127 19974 15592 1 19 . 1 1 113 113 LEU H H 113 7.614 7.614 8.109 -0.495 19974 15593 1 19 . 1 1 114 114 VAL N N 114 118.510 118.510 120.816 -2.306 19974 15594 1 19 . 1 1 114 114 VAL HA H 114 3.269 3.269 3.476 -0.207 19974 15595 1 19 . 1 1 114 114 VAL C C 114 177.330 177.330 177.874 -0.544 19974 15596 1 19 . 1 1 114 114 VAL CA C 114 67.787 67.787 67.463 0.325 19974 15597 1 19 . 1 1 114 114 VAL CB C 114 31.600 31.600 31.490 0.110 19974 15598 1 19 . 1 1 114 114 VAL H H 114 8.284 8.284 8.601 -0.317 19974 15599 1 19 . 1 1 115 115 ASP N N 115 119.440 119.440 119.254 0.186 19974 15600 1 19 . 1 1 115 115 ASP HA H 115 4.261 4.261 4.384 -0.123 19974 15601 1 19 . 1 1 115 115 ASP C C 115 179.840 179.840 178.822 1.018 19974 15602 1 19 . 1 1 115 115 ASP CA C 115 56.950 56.950 57.355 -0.405 19974 15603 1 19 . 1 1 115 115 ASP CB C 115 39.840 39.840 40.242 -0.402 19974 15604 1 19 . 1 1 115 115 ASP H H 115 8.724 8.724 8.637 0.087 19974 15605 1 19 . 1 1 116 116 GLY N N 116 107.280 107.280 108.742 -1.462 19974 15606 1 19 . 1 1 116 116 GLY C C 116 174.130 174.130 176.194 -2.064 19974 15607 1 19 . 1 1 116 116 GLY CA C 116 47.190 47.190 46.960 0.230 19974 15608 1 19 . 1 1 116 116 GLY H H 116 8.370 8.370 8.000 0.370 19974 15609 1 19 . 1 1 117 117 ILE N N 117 123.350 123.350 122.760 0.590 19974 15610 1 19 . 1 1 117 117 ILE HA H 117 3.307 3.307 3.530 -0.223 19974 15611 1 19 . 1 1 117 117 ILE C C 117 176.750 176.750 177.751 -1.001 19974 15612 1 19 . 1 1 117 117 ILE CA C 117 66.168 66.168 65.655 0.513 19974 15613 1 19 . 1 1 117 117 ILE CB C 117 37.760 37.760 37.870 -0.110 19974 15614 1 19 . 1 1 117 117 ILE H H 117 8.573 8.573 8.426 0.147 19974 15615 1 19 . 1 1 118 118 GLU N N 118 119.220 119.220 120.117 -0.897 19974 15616 1 19 . 1 1 118 118 GLU HA H 118 4.003 4.003 3.843 0.160 19974 15617 1 19 . 1 1 118 118 GLU C C 118 180.600 180.600 179.057 1.543 19974 15618 1 19 . 1 1 118 118 GLU CA C 118 59.472 59.472 60.144 -0.672 19974 15619 1 19 . 1 1 118 118 GLU CB C 118 29.310 29.310 29.367 -0.057 19974 15620 1 19 . 1 1 118 118 GLU H H 118 7.998 7.998 8.514 -0.516 19974 15621 1 19 . 1 1 119 119 LYS N N 119 118.270 118.270 119.067 -0.797 19974 15622 1 19 . 1 1 119 119 LYS HA H 119 3.897 3.897 4.028 -0.131 19974 15623 1 19 . 1 1 119 119 LYS C C 119 179.040 179.040 179.018 0.022 19974 15624 1 19 . 1 1 119 119 LYS CA C 119 58.090 58.090 59.430 -1.340 19974 15625 1 19 . 1 1 119 119 LYS CB C 119 31.340 31.340 32.284 -0.944 19974 15626 1 19 . 1 1 119 119 LYS H H 119 7.846 7.846 7.968 -0.122 19974 15627 1 19 . 1 1 120 120 ALA N N 120 125.280 125.280 122.636 2.644 19974 15628 1 19 . 1 1 120 120 ALA HA H 120 4.195 4.195 3.961 0.234 19974 15629 1 19 . 1 1 120 120 ALA C C 120 180.230 180.230 179.460 0.770 19974 15630 1 19 . 1 1 120 120 ALA CA C 120 55.040 55.040 55.064 -0.024 19974 15631 1 19 . 1 1 120 120 ALA CB C 120 17.380 17.380 18.304 -0.924 19974 15632 1 19 . 1 1 120 120 ALA H H 120 9.092 9.092 8.232 0.860 19974 15633 1 19 . 1 1 121 121 GLY N N 121 104.130 104.130 106.777 -2.647 19974 15634 1 19 . 1 1 121 121 GLY C C 121 174.930 174.930 176.368 -1.438 19974 15635 1 19 . 1 1 121 121 GLY CA C 121 47.590 47.590 47.060 0.530 19974 15636 1 19 . 1 1 121 121 GLY H H 121 8.606 8.606 8.588 0.018 19974 15637 1 19 . 1 1 122 122 MET N N 122 117.000 117.000 120.744 -3.744 19974 15638 1 19 . 1 1 122 122 MET HA H 122 4.183 4.183 4.079 0.104 19974 15639 1 19 . 1 1 122 122 MET C C 122 178.500 178.500 178.175 0.325 19974 15640 1 19 . 1 1 122 122 MET CA C 122 57.470 57.470 59.107 -1.637 19974 15641 1 19 . 1 1 122 122 MET CB C 122 32.200 32.200 32.734 -0.534 19974 15642 1 19 . 1 1 122 122 MET H H 122 7.284 7.284 8.301 -1.017 19974 15643 1 19 . 1 1 123 123 ALA N N 123 124.060 124.060 120.453 3.607 19974 15644 1 19 . 1 1 123 123 ALA HA H 123 4.076 4.076 4.354 -0.278 19974 15645 1 19 . 1 1 123 123 ALA C C 123 180.880 180.880 180.440 0.440 19974 15646 1 19 . 1 1 123 123 ALA CA C 123 54.760 54.760 54.494 0.266 19974 15647 1 19 . 1 1 123 123 ALA CB C 123 17.590 17.590 18.787 -1.197 19974 15648 1 19 . 1 1 123 123 ALA H H 123 8.308 8.308 7.813 0.495 19974 15649 1 19 . 1 1 124 124 LEU N N 124 117.060 117.060 120.712 -3.652 19974 15650 1 19 . 1 1 124 124 LEU HA H 124 4.270 4.270 4.296 -0.026 19974 15651 1 19 . 1 1 124 124 LEU C C 124 179.170 179.170 179.026 0.144 19974 15652 1 19 . 1 1 124 124 LEU CA C 124 57.840 57.840 57.995 -0.155 19974 15653 1 19 . 1 1 124 124 LEU CB C 124 42.920 42.920 41.891 1.029 19974 15654 1 19 . 1 1 124 124 LEU H H 124 8.871 8.871 8.871 -0.000 19974 15655 1 19 . 1 1 125 125 ALA N N 125 120.950 120.950 120.471 0.479 19974 15656 1 19 . 1 1 125 125 ALA HA H 125 3.956 3.956 4.480 -0.524 19974 15657 1 19 . 1 1 125 125 ALA C C 125 177.740 177.740 179.117 -1.377 19974 15658 1 19 . 1 1 125 125 ALA CA C 125 55.220 55.220 54.513 0.707 19974 15659 1 19 . 1 1 125 125 ALA CB C 125 19.180 19.180 18.362 0.818 19974 15660 1 19 . 1 1 125 125 ALA H H 125 7.829 7.829 8.470 -0.641 19974 15661 1 19 . 1 1 126 126 LYS N N 126 113.320 113.320 118.365 -5.045 19974 15662 1 19 . 1 1 126 126 LYS HA H 126 3.798 3.798 4.062 -0.264 19974 15663 1 19 . 1 1 126 126 LYS C C 126 176.550 176.550 177.894 -1.344 19974 15664 1 19 . 1 1 126 126 LYS CA C 126 58.490 58.490 58.684 -0.194 19974 15665 1 19 . 1 1 126 126 LYS CB C 126 32.620 32.620 32.676 -0.056 19974 15666 1 19 . 1 1 126 126 LYS H H 126 6.971 6.971 7.779 -0.808 19974 15667 1 19 . 1 1 127 127 TYR N N 127 113.850 113.850 115.898 -2.048 19974 15668 1 19 . 1 1 127 127 TYR HA H 127 4.067 4.067 4.196 -0.129 19974 15669 1 19 . 1 1 127 127 TYR C C 127 174.390 174.390 175.845 -1.455 19974 15670 1 19 . 1 1 127 127 TYR CA C 127 58.770 58.770 59.854 -1.084 19974 15671 1 19 . 1 1 127 127 TYR CB C 127 41.930 41.930 39.730 2.200 19974 15672 1 19 . 1 1 127 127 TYR H H 127 6.817 6.817 7.711 -0.894 19974 15673 1 19 . 1 1 128 128 PHE N N 128 116.130 116.130 117.280 -1.150 19974 15674 1 19 . 1 1 128 128 PHE HA H 128 4.907 4.907 5.043 -0.136 19974 15675 1 19 . 1 1 128 128 PHE C C 128 172.450 172.450 173.859 -1.409 19974 15676 1 19 . 1 1 128 128 PHE CA C 128 55.003 55.003 54.846 0.157 19974 15677 1 19 . 1 1 128 128 PHE CB C 128 38.550 38.550 39.633 -1.083 19974 15678 1 19 . 1 1 128 128 PHE H H 128 8.688 8.688 8.562 0.126 19974 15679 1 19 . 1 1 129 129 PRO HA H 129 4.680 4.680 4.599 0.081 19974 15680 1 19 . 1 1 129 129 PRO C C 129 175.720 175.720 176.623 -0.903 19974 15681 1 19 . 1 1 129 129 PRO CA C 129 63.382 63.382 62.782 0.600 19974 15682 1 19 . 1 1 129 129 PRO CB C 129 31.810 31.810 32.421 -0.611 19974 15683 1 19 . 1 1 130 130 TRP N N 130 123.170 123.170 126.454 -3.284 19974 15684 1 19 . 1 1 130 130 TRP HA H 130 4.031 4.031 4.545 -0.514 19974 15685 1 19 . 1 1 130 130 TRP C C 130 175.310 175.310 175.209 0.101 19974 15686 1 19 . 1 1 130 130 TRP CA C 130 59.510 59.510 58.431 1.079 19974 15687 1 19 . 1 1 130 130 TRP CB C 130 29.300 29.300 30.183 -0.883 19974 15688 1 19 . 1 1 130 130 TRP H H 130 7.910 7.910 8.681 -0.771 19974 15689 1 19 . 1 1 131 131 LYS N N 131 127.060 127.060 125.817 1.243 19974 15690 1 19 . 1 1 131 131 LYS HA H 131 4.260 4.260 4.280 -0.020 19974 15691 1 19 . 1 1 131 131 LYS C C 131 174.450 174.450 175.642 -1.192 19974 15692 1 19 . 1 1 131 131 LYS CA C 131 53.240 53.240 53.793 -0.553 19974 15693 1 19 . 1 1 131 131 LYS CB C 131 35.250 35.250 34.319 0.931 19974 15694 1 19 . 1 1 131 131 LYS H H 131 8.097 8.097 7.143 0.954 19974 15695 1 19 . 1 1 132 132 LYS N N 132 116.250 116.250 121.312 -5.062 19974 15696 1 19 . 1 1 132 132 LYS HA H 132 3.398 3.398 3.611 -0.213 19974 15697 1 19 . 1 1 132 132 LYS C C 132 176.550 176.550 176.016 0.534 19974 15698 1 19 . 1 1 132 132 LYS CA C 132 58.140 58.140 58.459 -0.319 19974 15699 1 19 . 1 1 132 132 LYS CB C 132 31.880 31.880 32.490 -0.610 19974 15700 1 19 . 1 1 132 132 LYS H H 132 7.761 7.761 8.260 -0.499 19974 15701 1 19 . 1 1 133 133 ASP N N 133 116.600 116.600 118.383 -1.783 19974 15702 1 19 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.593 -0.241 19974 15703 1 19 . 1 1 133 133 ASP C C 133 175.320 175.320 175.320 0.000 19974 15704 1 19 . 1 1 133 133 ASP CA C 133 52.520 52.520 53.536 -1.016 19974 15705 1 19 . 1 1 133 133 ASP CB C 133 38.720 38.720 40.197 -1.477 19974 15706 1 19 . 1 1 133 133 ASP H H 133 7.633 7.633 7.932 -0.299 19974 15707 1 19 . 1 1 134 134 ASP N N 134 119.140 119.140 120.828 -1.688 19974 15708 1 19 . 1 1 134 134 ASP HA H 134 3.989 3.989 4.423 -0.434 19974 15709 1 19 . 1 1 134 134 ASP C C 134 175.500 175.500 176.119 -0.619 19974 15710 1 19 . 1 1 134 134 ASP CA C 134 56.410 56.410 55.048 1.362 19974 15711 1 19 . 1 1 134 134 ASP CB C 134 42.740 42.740 41.362 1.378 19974 15712 1 19 . 1 1 134 134 ASP H H 134 7.251 7.251 7.267 -0.016 19974 15713 1 19 . 1 1 135 135 ILE N N 135 123.230 123.230 120.655 2.575 19974 15714 1 19 . 1 1 135 135 ILE HA H 135 4.301 4.301 4.452 -0.151 19974 15715 1 19 . 1 1 135 135 ILE C C 135 176.300 176.300 175.115 1.185 19974 15716 1 19 . 1 1 135 135 ILE CA C 135 58.640 58.640 59.104 -0.464 19974 15717 1 19 . 1 1 135 135 ILE CB C 135 40.800 40.800 37.166 3.634 19974 15718 1 19 . 1 1 135 135 ILE H H 135 8.351 8.351 8.262 0.089 19974 15719 1 19 . 1 1 136 136 ASP N N 136 131.670 131.670 125.099 6.571 19974 15720 1 19 . 1 1 136 136 ASP HA H 136 5.640 5.640 4.565 1.075 19974 15721 1 19 . 1 1 136 136 ASP C C 136 176.150 176.150 176.271 -0.121 19974 15722 1 19 . 1 1 136 136 ASP CA C 136 52.560 52.560 55.062 -2.502 19974 15723 1 19 . 1 1 136 136 ASP CB C 136 38.180 38.180 41.149 -2.969 19974 15724 1 19 . 1 1 136 136 ASP H H 136 9.036 9.036 8.625 0.411 19974 15725 1 19 . 1 1 137 137 GLU N N 137 125.270 125.270 123.433 1.837 19974 15726 1 19 . 1 1 137 137 GLU HA H 137 3.735 3.735 4.491 -0.756 19974 15727 1 19 . 1 1 137 137 GLU C C 137 176.110 176.110 176.290 -0.180 19974 15728 1 19 . 1 1 137 137 GLU CA C 137 59.490 59.490 55.975 3.515 19974 15729 1 19 . 1 1 137 137 GLU CB C 137 32.880 32.880 30.429 2.451 19974 15730 1 19 . 1 1 137 137 GLU H H 137 8.435 8.435 8.636 -0.201 19974 15731 1 19 . 1 1 138 138 LEU N N 138 117.210 117.210 122.699 -5.489 19974 15732 1 19 . 1 1 138 138 LEU HA H 138 4.960 4.960 4.715 0.245 19974 15733 1 19 . 1 1 138 138 LEU C C 138 173.560 173.560 174.429 -0.869 19974 15734 1 19 . 1 1 138 138 LEU CA C 138 50.310 50.310 52.055 -1.745 19974 15735 1 19 . 1 1 138 138 LEU CB C 138 41.350 41.350 43.635 -2.285 19974 15736 1 19 . 1 1 138 138 LEU H H 138 8.308 8.308 7.656 0.652 19974 15737 1 19 . 1 1 139 139 PRO HA H 139 4.335 4.335 4.619 -0.284 19974 15738 1 19 . 1 1 139 139 PRO C C 139 177.700 177.700 176.997 0.703 19974 15739 1 19 . 1 1 139 139 PRO CA C 139 62.550 62.550 62.387 0.163 19974 15740 1 19 . 1 1 139 139 PRO CB C 139 32.520 32.520 32.589 -0.069 19974 15741 1 19 . 1 1 140 140 ASN N N 140 120.930 120.930 121.124 -0.194 19974 15742 1 19 . 1 1 140 140 ASN HA H 140 4.730 4.730 4.605 0.125 19974 15743 1 19 . 1 1 140 140 ASN C C 140 174.460 174.460 175.000 -0.540 19974 15744 1 19 . 1 1 140 140 ASN CA C 140 52.790 52.790 54.243 -1.453 19974 15745 1 19 . 1 1 140 140 ASN CB C 140 38.520 38.520 39.085 -0.565 19974 15746 1 19 . 1 1 140 140 ASN H H 140 9.213 9.213 8.841 0.372 19974 15747 1 19 . 1 1 141 141 THR N N 141 107.730 107.730 112.502 -4.772 19974 15748 1 19 . 1 1 141 141 THR HA H 141 3.853 3.853 4.347 -0.494 19974 15749 1 19 . 1 1 141 141 THR C C 141 176.410 176.410 174.817 1.593 19974 15750 1 19 . 1 1 141 141 THR CA C 141 61.560 61.560 61.680 -0.120 19974 15751 1 19 . 1 1 141 141 THR CB C 141 69.450 69.450 69.959 -0.509 19974 15752 1 19 . 1 1 141 141 THR H H 141 7.003 7.003 7.427 -0.424 19974 15753 1 19 . 1 1 142 142 ILE N N 142 129.530 129.530 122.442 7.088 19974 15754 1 19 . 1 1 142 142 ILE HA H 142 3.976 3.976 3.956 0.020 19974 15755 1 19 . 1 1 142 142 ILE C C 142 176.020 176.020 176.179 -0.159 19974 15756 1 19 . 1 1 142 142 ILE CA C 142 62.150 62.150 61.559 0.592 19974 15757 1 19 . 1 1 142 142 ILE CB C 142 37.890 37.890 38.477 -0.587 19974 15758 1 19 . 1 1 142 142 ILE H H 142 9.030 9.030 8.236 0.794 19974 15759 1 19 . 1 1 143 143 SER N N 143 124.630 124.630 124.246 0.384 19974 15760 1 19 . 1 1 143 143 SER HA H 143 4.481 4.481 4.737 -0.256 19974 15761 1 19 . 1 1 143 143 SER C C 143 172.920 172.920 172.976 -0.056 19974 15762 1 19 . 1 1 143 143 SER CA C 143 57.120 57.120 58.087 -0.967 19974 15763 1 19 . 1 1 143 143 SER CB C 143 60.710 60.710 64.432 -3.722 19974 15764 1 19 . 1 1 143 143 SER H H 143 8.709 8.709 8.741 -0.032 19974 15765 1 19 . 1 1 144 144 LYS N N 144 126.170 126.170 122.755 3.415 19974 15766 1 19 . 1 1 144 144 LYS HA H 144 4.954 4.954 4.552 0.402 19974 15767 1 19 . 1 1 144 144 LYS C C 144 175.910 175.910 176.883 -0.973 19974 15768 1 19 . 1 1 144 144 LYS CA C 144 54.580 54.580 54.714 -0.134 19974 15769 1 19 . 1 1 144 144 LYS CB C 144 35.170 35.170 35.942 -0.772 19974 15770 1 19 . 1 1 144 144 LYS H H 144 8.043 8.043 8.334 -0.291 19974 15771 1 20 . 1 1 3 3 LYS HA H 3 4.317 4.317 4.004 0.313 19974 15772 1 20 . 1 1 3 3 LYS C C 3 176.840 176.840 175.517 1.323 19974 15773 1 20 . 1 1 3 3 LYS CA C 3 56.180 56.180 56.551 -0.371 19974 15774 1 20 . 1 1 3 3 LYS CB C 3 33.030 33.030 31.249 1.781 19974 15775 1 20 . 1 1 4 4 ILE N N 4 122.990 122.990 118.528 4.462 19974 15776 1 20 . 1 1 4 4 ILE HA H 4 3.919 3.919 3.801 0.118 19974 15777 1 20 . 1 1 4 4 ILE C C 4 176.120 176.120 177.286 -1.166 19974 15778 1 20 . 1 1 4 4 ILE CA C 4 61.530 61.530 62.660 -1.130 19974 15779 1 20 . 1 1 4 4 ILE CB C 4 38.040 38.040 37.579 0.461 19974 15780 1 20 . 1 1 4 4 ILE H H 4 8.391 8.391 8.137 0.254 19974 15781 1 20 . 1 1 5 5 GLU N N 5 123.430 123.430 119.391 4.039 19974 15782 1 20 . 1 1 5 5 GLU HA H 5 4.116 4.116 4.120 -0.004 19974 15783 1 20 . 1 1 5 5 GLU C C 5 175.830 175.830 176.163 -0.333 19974 15784 1 20 . 1 1 5 5 GLU CA C 5 56.900 56.900 57.526 -0.626 19974 15785 1 20 . 1 1 5 5 GLU CB C 5 29.350 29.350 30.079 -0.729 19974 15786 1 20 . 1 1 5 5 GLU H H 5 8.508 8.508 8.319 0.189 19974 15787 1 20 . 1 1 6 6 GLU N N 6 119.490 119.490 115.850 3.640 19974 15788 1 20 . 1 1 6 6 GLU HA H 6 4.128 4.128 4.277 -0.149 19974 15789 1 20 . 1 1 6 6 GLU C C 6 176.270 176.270 175.610 0.660 19974 15790 1 20 . 1 1 6 6 GLU CA C 6 55.700 55.700 54.861 0.839 19974 15791 1 20 . 1 1 6 6 GLU CB C 6 30.190 30.190 30.477 -0.287 19974 15792 1 20 . 1 1 6 6 GLU H H 6 7.843 7.843 7.861 -0.018 19974 15793 1 20 . 1 1 7 7 PHE N N 7 121.090 121.090 120.997 0.093 19974 15794 1 20 . 1 1 7 7 PHE HA H 7 4.284 4.284 4.418 -0.134 19974 15795 1 20 . 1 1 7 7 PHE C C 7 174.810 174.810 175.287 -0.477 19974 15796 1 20 . 1 1 7 7 PHE CA C 7 59.660 59.660 59.792 -0.132 19974 15797 1 20 . 1 1 7 7 PHE CB C 7 39.990 39.990 40.001 -0.011 19974 15798 1 20 . 1 1 7 7 PHE H H 7 8.092 8.092 8.459 -0.367 19974 15799 1 20 . 1 1 8 8 LEU N N 8 116.700 116.700 116.532 0.168 19974 15800 1 20 . 1 1 8 8 LEU HA H 8 4.792 4.792 4.966 -0.174 19974 15801 1 20 . 1 1 8 8 LEU C C 8 176.940 176.940 176.378 0.562 19974 15802 1 20 . 1 1 8 8 LEU CA C 8 52.730 52.730 52.857 -0.127 19974 15803 1 20 . 1 1 8 8 LEU CB C 8 45.650 45.650 45.998 -0.347 19974 15804 1 20 . 1 1 8 8 LEU H H 8 7.721 7.721 7.332 0.389 19974 15805 1 20 . 1 1 9 9 THR N N 9 113.700 113.700 115.890 -2.190 19974 15806 1 20 . 1 1 9 9 THR HA H 9 4.397 4.397 4.535 -0.138 19974 15807 1 20 . 1 1 9 9 THR C C 9 175.410 175.410 176.293 -0.883 19974 15808 1 20 . 1 1 9 9 THR CA C 9 60.650 60.650 60.579 0.071 19974 15809 1 20 . 1 1 9 9 THR CB C 9 70.800 70.800 71.237 -0.437 19974 15810 1 20 . 1 1 9 9 THR H H 9 9.224 9.224 8.703 0.521 19974 15811 1 20 . 1 1 10 10 ALA N N 10 123.350 123.350 126.602 -3.252 19974 15812 1 20 . 1 1 10 10 ALA HA H 10 4.036 4.036 4.038 -0.002 19974 15813 1 20 . 1 1 10 10 ALA C C 10 181.050 181.050 179.277 1.773 19974 15814 1 20 . 1 1 10 10 ALA CA C 10 55.500 55.500 55.427 0.073 19974 15815 1 20 . 1 1 10 10 ALA CB C 10 17.914 17.914 18.565 -0.651 19974 15816 1 20 . 1 1 10 10 ALA H H 10 8.881 8.881 8.943 -0.062 19974 15817 1 20 . 1 1 11 11 GLU N N 11 117.680 117.680 118.490 -0.810 19974 15818 1 20 . 1 1 11 11 GLU HA H 11 3.949 3.949 3.990 -0.041 19974 15819 1 20 . 1 1 11 11 GLU C C 11 179.500 179.500 178.981 0.519 19974 15820 1 20 . 1 1 11 11 GLU CA C 11 59.490 59.490 59.547 -0.057 19974 15821 1 20 . 1 1 11 11 GLU CB C 11 29.120 29.120 29.458 -0.338 19974 15822 1 20 . 1 1 11 11 GLU H H 11 8.460 8.460 8.766 -0.306 19974 15823 1 20 . 1 1 12 12 GLU N N 12 121.860 121.860 118.828 3.032 19974 15824 1 20 . 1 1 12 12 GLU HA H 12 3.818 3.818 4.137 -0.319 19974 15825 1 20 . 1 1 12 12 GLU C C 12 178.130 178.130 179.162 -1.032 19974 15826 1 20 . 1 1 12 12 GLU CA C 12 59.210 59.210 59.030 0.180 19974 15827 1 20 . 1 1 12 12 GLU CB C 12 30.800 30.800 29.878 0.922 19974 15828 1 20 . 1 1 12 12 GLU H H 12 7.698 7.698 7.906 -0.208 19974 15829 1 20 . 1 1 13 13 GLU N N 13 118.170 118.170 120.088 -1.918 19974 15830 1 20 . 1 1 13 13 GLU HA H 13 3.640 3.640 4.014 -0.374 19974 15831 1 20 . 1 1 13 13 GLU C C 13 178.070 178.070 178.658 -0.588 19974 15832 1 20 . 1 1 13 13 GLU CA C 13 60.539 60.539 59.413 1.126 19974 15833 1 20 . 1 1 13 13 GLU CB C 13 29.130 29.130 29.569 -0.439 19974 15834 1 20 . 1 1 13 13 GLU H H 13 8.493 8.493 8.301 0.192 19974 15835 1 20 . 1 1 14 14 LYS N N 14 117.980 117.980 119.964 -1.984 19974 15836 1 20 . 1 1 14 14 LYS HA H 14 3.887 3.887 3.980 -0.093 19974 15837 1 20 . 1 1 14 14 LYS C C 14 177.420 177.420 178.722 -1.302 19974 15838 1 20 . 1 1 14 14 LYS CA C 14 59.350 59.350 59.508 -0.159 19974 15839 1 20 . 1 1 14 14 LYS CB C 14 32.200 32.200 32.450 -0.250 19974 15840 1 20 . 1 1 14 14 LYS H H 14 7.650 7.650 8.297 -0.647 19974 15841 1 20 . 1 1 15 15 ALA N N 15 119.210 119.210 120.995 -1.785 19974 15842 1 20 . 1 1 15 15 ALA HA H 15 4.098 4.098 4.095 0.003 19974 15843 1 20 . 1 1 15 15 ALA C C 15 180.550 180.550 179.715 0.835 19974 15844 1 20 . 1 1 15 15 ALA CA C 15 54.600 54.600 54.913 -0.313 19974 15845 1 20 . 1 1 15 15 ALA CB C 15 17.790 17.790 18.447 -0.656 19974 15846 1 20 . 1 1 15 15 ALA H H 15 7.362 7.362 7.573 -0.211 19974 15847 1 20 . 1 1 16 16 ILE N N 16 119.990 119.990 119.312 0.678 19974 15848 1 20 . 1 1 16 16 ILE HA H 16 3.493 3.493 3.704 -0.211 19974 15849 1 20 . 1 1 16 16 ILE C C 16 176.510 176.510 177.568 -1.058 19974 15850 1 20 . 1 1 16 16 ILE CA C 16 65.072 65.072 64.048 1.024 19974 15851 1 20 . 1 1 16 16 ILE CB C 16 37.580 37.580 38.413 -0.834 19974 15852 1 20 . 1 1 16 16 ILE H H 16 7.592 7.592 7.368 0.224 19974 15853 1 20 . 1 1 17 17 VAL N N 17 121.520 121.520 121.589 -0.069 19974 15854 1 20 . 1 1 17 17 VAL HA H 17 3.504 3.504 3.517 -0.013 19974 15855 1 20 . 1 1 17 17 VAL C C 17 178.620 178.620 178.000 0.620 19974 15856 1 20 . 1 1 17 17 VAL CA C 17 67.324 67.324 66.993 0.331 19974 15857 1 20 . 1 1 17 17 VAL CB C 17 31.350 31.350 31.586 -0.236 19974 15858 1 20 . 1 1 17 17 VAL H H 17 8.155 8.155 8.434 -0.279 19974 15859 1 20 . 1 1 18 18 ASP N N 18 120.000 120.000 118.950 1.050 19974 15860 1 20 . 1 1 18 18 ASP HA H 18 4.223 4.223 4.416 -0.193 19974 15861 1 20 . 1 1 18 18 ASP C C 18 177.980 177.980 178.005 -0.025 19974 15862 1 20 . 1 1 18 18 ASP CA C 18 57.050 57.050 57.350 -0.300 19974 15863 1 20 . 1 1 18 18 ASP CB C 18 39.410 39.410 40.396 -0.986 19974 15864 1 20 . 1 1 18 18 ASP H H 18 8.605 8.605 8.138 0.467 19974 15865 1 20 . 1 1 19 19 ALA N N 19 122.620 122.620 122.170 0.450 19974 15866 1 20 . 1 1 19 19 ALA HA H 19 4.194 4.194 4.106 0.088 19974 15867 1 20 . 1 1 19 19 ALA C C 19 180.720 180.720 179.369 1.351 19974 15868 1 20 . 1 1 19 19 ALA CA C 19 54.970 54.970 54.692 0.278 19974 15869 1 20 . 1 1 19 19 ALA CB C 19 17.850 17.850 18.628 -0.778 19974 15870 1 20 . 1 1 19 19 ALA H H 19 7.702 7.702 7.377 0.325 19974 15871 1 20 . 1 1 20 20 ILE N N 20 122.620 122.620 119.042 3.578 19974 15872 1 20 . 1 1 20 20 ILE HA H 20 3.309 3.309 3.742 -0.433 19974 15873 1 20 . 1 1 20 20 ILE C C 20 176.740 176.740 177.853 -1.113 19974 15874 1 20 . 1 1 20 20 ILE CA C 20 66.830 66.830 62.765 4.065 19974 15875 1 20 . 1 1 20 20 ILE CB C 20 38.140 38.140 36.285 1.855 19974 15876 1 20 . 1 1 20 20 ILE H H 20 8.234 8.234 7.577 0.657 19974 15877 1 20 . 1 1 21 21 ARG N N 21 119.660 119.660 118.765 0.895 19974 15878 1 20 . 1 1 21 21 ARG HA H 21 3.899 3.899 4.022 -0.123 19974 15879 1 20 . 1 1 21 21 ARG C C 21 179.540 179.540 178.241 1.299 19974 15880 1 20 . 1 1 21 21 ARG CA C 21 58.990 58.990 59.411 -0.421 19974 15881 1 20 . 1 1 21 21 ARG CB C 21 29.020 29.020 29.931 -0.911 19974 15882 1 20 . 1 1 21 21 ARG H H 21 8.212 8.212 7.906 0.306 19974 15883 1 20 . 1 1 22 22 ASP N N 22 118.640 118.640 117.346 1.294 19974 15884 1 20 . 1 1 22 22 ASP HA H 22 4.239 4.239 4.561 -0.322 19974 15885 1 20 . 1 1 22 22 ASP C C 22 179.190 179.190 177.500 1.690 19974 15886 1 20 . 1 1 22 22 ASP CA C 22 57.270 57.270 55.657 1.613 19974 15887 1 20 . 1 1 22 22 ASP CB C 22 39.770 39.770 40.752 -0.982 19974 15888 1 20 . 1 1 22 22 ASP H H 22 8.137 8.137 7.784 0.353 19974 15889 1 20 . 1 1 23 23 ALA N N 23 126.120 126.120 124.371 1.749 19974 15890 1 20 . 1 1 23 23 ALA HA H 23 4.207 4.207 4.049 0.158 19974 15891 1 20 . 1 1 23 23 ALA C C 23 181.060 181.060 179.493 1.567 19974 15892 1 20 . 1 1 23 23 ALA CA C 23 55.430 55.430 55.065 0.365 19974 15893 1 20 . 1 1 23 23 ALA CB C 23 18.690 18.690 18.550 0.140 19974 15894 1 20 . 1 1 23 23 ALA H H 23 8.500 8.500 7.776 0.724 19974 15895 1 20 . 1 1 24 24 GLU N N 24 115.460 115.460 116.502 -1.042 19974 15896 1 20 . 1 1 24 24 GLU HA H 24 4.213 4.213 4.388 -0.175 19974 15897 1 20 . 1 1 24 24 GLU C C 24 176.390 176.390 177.088 -0.698 19974 15898 1 20 . 1 1 24 24 GLU CA C 24 58.180 58.180 58.254 -0.074 19974 15899 1 20 . 1 1 24 24 GLU CB C 24 28.200 28.200 28.976 -0.776 19974 15900 1 20 . 1 1 24 24 GLU H H 24 8.451 8.451 7.972 0.479 19974 15901 1 20 . 1 1 25 25 LYS N N 25 115.790 115.790 116.884 -1.094 19974 15902 1 20 . 1 1 25 25 LYS HA H 25 3.739 3.739 4.395 -0.656 19974 15903 1 20 . 1 1 25 25 LYS C C 25 176.020 176.020 175.989 0.031 19974 15904 1 20 . 1 1 25 25 LYS CA C 25 56.220 56.220 56.390 -0.170 19974 15905 1 20 . 1 1 25 25 LYS CB C 25 32.070 32.070 32.674 -0.604 19974 15906 1 20 . 1 1 25 25 LYS H H 25 7.083 7.083 7.446 -0.363 19974 15907 1 20 . 1 1 26 26 ASN N N 26 115.060 115.060 116.901 -1.841 19974 15908 1 20 . 1 1 26 26 ASN HA H 26 4.749 4.749 4.788 -0.039 19974 15909 1 20 . 1 1 26 26 ASN C C 26 174.280 174.280 174.215 0.065 19974 15910 1 20 . 1 1 26 26 ASN CA C 26 53.050 53.050 53.659 -0.609 19974 15911 1 20 . 1 1 26 26 ASN CB C 26 40.410 40.410 41.691 -1.281 19974 15912 1 20 . 1 1 26 26 ASN H H 26 7.931 7.931 8.174 -0.243 19974 15913 1 20 . 1 1 27 27 THR N N 27 113.430 113.430 113.074 0.356 19974 15914 1 20 . 1 1 27 27 THR HA H 27 5.507 5.507 5.089 0.418 19974 15915 1 20 . 1 1 27 27 THR C C 27 170.850 170.850 173.199 -2.349 19974 15916 1 20 . 1 1 27 27 THR CA C 27 57.130 57.130 60.345 -3.215 19974 15917 1 20 . 1 1 27 27 THR CB C 27 70.200 70.200 70.109 0.091 19974 15918 1 20 . 1 1 27 27 THR H H 27 7.619 7.619 7.670 -0.051 19974 15919 1 20 . 1 1 28 28 SER N N 28 119.450 119.450 119.259 0.191 19974 15920 1 20 . 1 1 28 28 SER HA H 28 4.773 4.773 4.906 -0.133 19974 15921 1 20 . 1 1 28 28 SER C C 28 176.330 176.330 174.295 2.035 19974 15922 1 20 . 1 1 28 28 SER CA C 28 58.913 58.913 57.852 1.061 19974 15923 1 20 . 1 1 28 28 SER CB C 28 64.360 64.360 64.188 0.172 19974 15924 1 20 . 1 1 28 28 SER H H 28 7.706 7.706 8.679 -0.973 19974 15925 1 20 . 1 1 29 29 GLY N N 29 111.350 111.350 108.375 2.975 19974 15926 1 20 . 1 1 29 29 GLY C C 29 171.210 171.210 173.673 -2.463 19974 15927 1 20 . 1 1 29 29 GLY CA C 29 44.643 44.643 43.832 0.811 19974 15928 1 20 . 1 1 29 29 GLY H H 29 9.011 9.011 7.313 1.698 19974 15929 1 20 . 1 1 30 30 GLU N N 30 120.620 120.620 119.908 0.712 19974 15930 1 20 . 1 1 30 30 GLU HA H 30 4.867 4.867 4.781 0.086 19974 15931 1 20 . 1 1 30 30 GLU C C 30 174.500 174.500 174.864 -0.364 19974 15932 1 20 . 1 1 30 30 GLU CA C 30 54.320 54.320 55.069 -0.749 19974 15933 1 20 . 1 1 30 30 GLU CB C 30 34.030 34.030 32.303 1.727 19974 15934 1 20 . 1 1 30 30 GLU H H 30 6.897 6.897 8.625 -1.728 19974 15935 1 20 . 1 1 31 31 ILE N N 31 121.650 121.650 125.595 -3.945 19974 15936 1 20 . 1 1 31 31 ILE HA H 31 5.171 5.171 4.329 0.842 19974 15937 1 20 . 1 1 31 31 ILE C C 31 175.550 175.550 175.214 0.336 19974 15938 1 20 . 1 1 31 31 ILE CA C 31 59.740 59.740 60.727 -0.987 19974 15939 1 20 . 1 1 31 31 ILE CB C 31 42.520 42.520 38.326 4.194 19974 15940 1 20 . 1 1 31 31 ILE H H 31 8.546 8.546 8.975 -0.429 19974 15941 1 20 . 1 1 32 32 ARG N N 32 121.690 121.690 126.555 -4.865 19974 15942 1 20 . 1 1 32 32 ARG HA H 32 4.951 4.951 4.803 0.148 19974 15943 1 20 . 1 1 32 32 ARG C C 32 173.740 173.740 174.231 -0.491 19974 15944 1 20 . 1 1 32 32 ARG CA C 32 55.220 55.220 53.986 1.234 19974 15945 1 20 . 1 1 32 32 ARG CB C 32 34.720 34.720 34.501 0.219 19974 15946 1 20 . 1 1 32 32 ARG H H 32 8.751 8.751 8.682 0.069 19974 15947 1 20 . 1 1 33 33 VAL N N 33 120.770 120.770 121.279 -0.509 19974 15948 1 20 . 1 1 33 33 VAL HA H 33 4.972 4.972 4.715 0.257 19974 15949 1 20 . 1 1 33 33 VAL C C 33 173.790 173.790 173.971 -0.181 19974 15950 1 20 . 1 1 33 33 VAL CA C 33 59.700 59.700 61.177 -1.477 19974 15951 1 20 . 1 1 33 33 VAL CB C 33 34.820 34.820 34.893 -0.073 19974 15952 1 20 . 1 1 33 33 VAL H H 33 8.617 8.617 8.656 -0.039 19974 15953 1 20 . 1 1 34 34 HIS N N 34 125.000 125.000 126.519 -1.519 19974 15954 1 20 . 1 1 34 34 HIS HA H 34 5.743 5.743 5.224 0.519 19974 15955 1 20 . 1 1 34 34 HIS C C 34 172.790 172.790 172.936 -0.146 19974 15956 1 20 . 1 1 34 34 HIS CA C 34 54.370 54.370 53.810 0.560 19974 15957 1 20 . 1 1 34 34 HIS CB C 34 36.840 36.840 32.769 4.071 19974 15958 1 20 . 1 1 34 34 HIS H H 34 8.552 8.552 9.006 -0.454 19974 15959 1 20 . 1 1 35 35 LEU N N 35 124.400 124.400 128.198 -3.798 19974 15960 1 20 . 1 1 35 35 LEU HA H 35 4.800 4.800 4.810 -0.010 19974 15961 1 20 . 1 1 35 35 LEU C C 35 174.490 174.490 174.218 0.272 19974 15962 1 20 . 1 1 35 35 LEU CA C 35 52.190 52.190 53.749 -1.559 19974 15963 1 20 . 1 1 35 35 LEU CB C 35 44.880 44.880 45.307 -0.427 19974 15964 1 20 . 1 1 35 35 LEU H H 35 8.006 8.006 8.050 -0.044 19974 15965 1 20 . 1 1 36 36 GLU N N 36 116.112 116.112 124.277 -8.165 19974 15966 1 20 . 1 1 36 36 GLU HA H 36 4.573 4.573 4.560 0.013 19974 15967 1 20 . 1 1 36 36 GLU C C 36 174.350 174.350 175.426 -1.076 19974 15968 1 20 . 1 1 36 36 GLU CA C 36 54.130 54.130 55.502 -1.372 19974 15969 1 20 . 1 1 36 36 GLU CB C 36 31.960 31.960 33.178 -1.218 19974 15970 1 20 . 1 1 36 36 GLU H H 36 8.235 8.235 8.034 0.201 19974 15971 1 20 . 1 1 37 37 LYS N N 37 121.210 121.210 122.435 -1.225 19974 15972 1 20 . 1 1 37 37 LYS HA H 37 3.731 3.731 4.125 -0.394 19974 15973 1 20 . 1 1 37 37 LYS C C 37 175.200 175.200 176.800 -1.600 19974 15974 1 20 . 1 1 37 37 LYS CA C 37 61.410 61.410 60.112 1.298 19974 15975 1 20 . 1 1 37 37 LYS CB C 37 33.090 33.090 32.939 0.151 19974 15976 1 20 . 1 1 37 37 LYS H H 37 9.055 9.055 8.907 0.148 19974 15977 1 20 . 1 1 38 38 THR N N 38 107.310 107.310 109.075 -1.765 19974 15978 1 20 . 1 1 38 38 THR HA H 38 4.448 4.448 4.543 -0.095 19974 15979 1 20 . 1 1 38 38 THR C C 38 171.420 171.420 172.889 -1.469 19974 15980 1 20 . 1 1 38 38 THR CA C 38 59.530 59.530 60.127 -0.597 19974 15981 1 20 . 1 1 38 38 THR CB C 38 69.570 69.570 69.376 0.194 19974 15982 1 20 . 1 1 38 38 THR H H 38 7.480 7.480 7.767 -0.287 19974 15983 1 20 . 1 1 39 39 SER N N 39 116.050 116.050 118.369 -2.319 19974 15984 1 20 . 1 1 39 39 SER HA H 39 4.641 4.641 4.826 -0.185 19974 15985 1 20 . 1 1 39 39 SER C C 39 175.590 175.590 174.350 1.240 19974 15986 1 20 . 1 1 39 39 SER CA C 39 57.340 57.340 57.612 -0.272 19974 15987 1 20 . 1 1 39 39 SER CB C 39 64.560 64.560 65.126 -0.566 19974 15988 1 20 . 1 1 39 39 SER H H 39 8.177 8.177 8.605 -0.428 19974 15989 1 20 . 1 1 40 40 GLU N N 40 124.630 124.630 121.018 3.612 19974 15990 1 20 . 1 1 40 40 GLU HA H 40 4.118 4.118 4.341 -0.223 19974 15991 1 20 . 1 1 40 40 GLU C C 40 176.520 176.520 176.453 0.067 19974 15992 1 20 . 1 1 40 40 GLU CA C 40 58.100 58.100 57.076 1.024 19974 15993 1 20 . 1 1 40 40 GLU CB C 40 29.950 29.950 29.852 0.098 19974 15994 1 20 . 1 1 40 40 GLU H H 40 8.905 8.905 8.577 0.328 19974 15995 1 20 . 1 1 41 41 ILE N N 41 113.290 113.290 114.739 -1.449 19974 15996 1 20 . 1 1 41 41 ILE HA H 41 4.460 4.460 4.458 0.002 19974 15997 1 20 . 1 1 41 41 ILE C C 41 175.350 175.350 174.549 0.801 19974 15998 1 20 . 1 1 41 41 ILE CA C 41 59.490 59.490 59.942 -0.452 19974 15999 1 20 . 1 1 41 41 ILE CB C 41 40.150 40.150 39.387 0.763 19974 16000 1 20 . 1 1 41 41 ILE H H 41 7.446 7.446 7.402 0.044 19974 16001 1 20 . 1 1 42 42 ASP N N 42 122.230 122.230 122.814 -0.584 19974 16002 1 20 . 1 1 42 42 ASP HA H 42 4.280 4.280 4.951 -0.671 19974 16003 1 20 . 1 1 42 42 ASP C C 42 177.430 177.430 176.745 0.685 19974 16004 1 20 . 1 1 42 42 ASP CA C 42 55.360 55.360 53.314 2.046 19974 16005 1 20 . 1 1 42 42 ASP CB C 42 42.690 42.690 42.507 0.183 19974 16006 1 20 . 1 1 42 42 ASP H H 42 8.271 8.271 8.303 -0.032 19974 16007 1 20 . 1 1 43 43 VAL N N 43 122.150 122.150 122.612 -0.462 19974 16008 1 20 . 1 1 43 43 VAL HA H 43 3.569 3.569 3.370 0.199 19974 16009 1 20 . 1 1 43 43 VAL C C 43 175.780 175.780 177.412 -1.632 19974 16010 1 20 . 1 1 43 43 VAL CA C 43 65.420 65.420 65.698 -0.278 19974 16011 1 20 . 1 1 43 43 VAL CB C 43 31.300 31.300 31.706 -0.406 19974 16012 1 20 . 1 1 43 43 VAL H H 43 8.160 8.160 8.656 -0.496 19974 16013 1 20 . 1 1 44 44 PHE N N 44 121.770 121.770 119.654 2.116 19974 16014 1 20 . 1 1 44 44 PHE HA H 44 3.892 3.892 4.091 -0.199 19974 16015 1 20 . 1 1 44 44 PHE C C 44 177.140 177.140 177.290 -0.150 19974 16016 1 20 . 1 1 44 44 PHE CA C 44 62.190 62.190 61.723 0.467 19974 16017 1 20 . 1 1 44 44 PHE CB C 44 38.350 38.350 37.447 0.903 19974 16018 1 20 . 1 1 44 44 PHE H H 44 8.101 8.101 8.065 0.036 19974 16019 1 20 . 1 1 45 45 ASP N N 45 119.540 119.540 119.620 -0.080 19974 16020 1 20 . 1 1 45 45 ASP HA H 45 4.106 4.106 4.247 -0.141 19974 16021 1 20 . 1 1 45 45 ASP C C 45 178.380 178.380 178.647 -0.267 19974 16022 1 20 . 1 1 45 45 ASP CA C 45 57.010 57.010 58.172 -1.163 19974 16023 1 20 . 1 1 45 45 ASP CB C 45 37.900 37.900 40.212 -2.312 19974 16024 1 20 . 1 1 45 45 ASP H H 45 7.317 7.317 8.333 -1.016 19974 16025 1 20 . 1 1 46 46 ARG N N 46 119.920 119.920 120.577 -0.657 19974 16026 1 20 . 1 1 46 46 ARG HA H 46 3.733 3.733 3.812 -0.079 19974 16027 1 20 . 1 1 46 46 ARG C C 46 176.750 176.750 178.143 -1.393 19974 16028 1 20 . 1 1 46 46 ARG CA C 46 57.136 57.136 59.405 -2.269 19974 16029 1 20 . 1 1 46 46 ARG CB C 46 28.590 28.590 30.112 -1.522 19974 16030 1 20 . 1 1 46 46 ARG H H 46 8.246 8.246 8.398 -0.152 19974 16031 1 20 . 1 1 47 47 ALA N N 47 120.910 120.910 121.859 -0.949 19974 16032 1 20 . 1 1 47 47 ALA HA H 47 3.048 3.048 3.738 -0.690 19974 16033 1 20 . 1 1 47 47 ALA C C 47 177.810 177.810 178.987 -1.177 19974 16034 1 20 . 1 1 47 47 ALA CA C 47 55.010 55.010 55.026 -0.016 19974 16035 1 20 . 1 1 47 47 ALA CB C 47 17.400 17.400 18.117 -0.717 19974 16036 1 20 . 1 1 47 47 ALA H H 47 7.803 7.803 7.980 -0.177 19974 16037 1 20 . 1 1 48 48 MET N N 48 115.800 115.800 118.799 -2.999 19974 16038 1 20 . 1 1 48 48 MET HA H 48 2.568 2.568 3.932 -1.364 19974 16039 1 20 . 1 1 48 48 MET C C 48 177.790 177.790 177.854 -0.064 19974 16040 1 20 . 1 1 48 48 MET CA C 48 58.910 58.910 59.459 -0.549 19974 16041 1 20 . 1 1 48 48 MET CB C 48 32.750 32.750 32.467 0.283 19974 16042 1 20 . 1 1 48 48 MET H H 48 7.148 7.148 7.996 -0.848 19974 16043 1 20 . 1 1 49 49 ASP N N 49 121.130 121.130 119.879 1.251 19974 16044 1 20 . 1 1 49 49 ASP HA H 49 4.326 4.326 4.444 -0.118 19974 16045 1 20 . 1 1 49 49 ASP C C 49 178.960 178.960 179.272 -0.312 19974 16046 1 20 . 1 1 49 49 ASP CA C 49 57.330 57.330 57.772 -0.442 19974 16047 1 20 . 1 1 49 49 ASP CB C 49 40.180 40.180 40.662 -0.482 19974 16048 1 20 . 1 1 49 49 ASP H H 49 7.656 7.656 8.401 -0.745 19974 16049 1 20 . 1 1 50 50 VAL N N 50 122.030 122.030 120.561 1.469 19974 16050 1 20 . 1 1 50 50 VAL HA H 50 3.150 3.150 3.608 -0.459 19974 16051 1 20 . 1 1 50 50 VAL C C 50 176.610 176.610 177.721 -1.111 19974 16052 1 20 . 1 1 50 50 VAL CA C 50 66.980 66.980 66.522 0.459 19974 16053 1 20 . 1 1 50 50 VAL CB C 50 30.450 30.450 31.760 -1.310 19974 16054 1 20 . 1 1 50 50 VAL H H 50 8.506 8.506 8.351 0.155 19974 16055 1 20 . 1 1 51 51 PHE N N 51 120.010 120.010 120.834 -0.824 19974 16056 1 20 . 1 1 51 51 PHE HA H 51 3.701 3.701 4.147 -0.446 19974 16057 1 20 . 1 1 51 51 PHE C C 51 176.990 176.990 177.059 -0.069 19974 16058 1 20 . 1 1 51 51 PHE CA C 51 61.610 61.610 61.285 0.325 19974 16059 1 20 . 1 1 51 51 PHE CB C 51 39.350 39.350 39.235 0.115 19974 16060 1 20 . 1 1 51 51 PHE H H 51 8.236 8.236 8.537 -0.301 19974 16061 1 20 . 1 1 52 52 HIS N N 52 114.400 114.400 116.663 -2.263 19974 16062 1 20 . 1 1 52 52 HIS HA H 52 4.322 4.322 4.265 0.057 19974 16063 1 20 . 1 1 52 52 HIS C C 52 179.389 179.389 178.616 0.773 19974 16064 1 20 . 1 1 52 52 HIS CA C 52 59.670 59.670 60.451 -0.781 19974 16065 1 20 . 1 1 52 52 HIS CB C 52 28.380 28.380 29.923 -1.543 19974 16066 1 20 . 1 1 52 52 HIS H H 52 7.595 7.595 8.514 -0.919 19974 16067 1 20 . 1 1 53 53 ASN N N 53 125.300 125.300 119.462 5.838 19974 16068 1 20 . 1 1 53 53 ASN HA H 53 4.346 4.346 4.508 -0.162 19974 16069 1 20 . 1 1 53 53 ASN C C 53 177.560 177.560 177.094 0.466 19974 16070 1 20 . 1 1 53 53 ASN CA C 53 56.260 56.260 56.328 -0.068 19974 16071 1 20 . 1 1 53 53 ASN CB C 53 38.020 38.020 38.699 -0.679 19974 16072 1 20 . 1 1 53 53 ASN H H 53 9.216 9.216 8.433 0.783 19974 16073 1 20 . 1 1 54 54 LEU N N 54 117.070 117.070 117.689 -0.619 19974 16074 1 20 . 1 1 54 54 LEU HA H 54 4.114 4.114 4.145 -0.031 19974 16075 1 20 . 1 1 54 54 LEU C C 54 175.780 175.780 176.066 -0.286 19974 16076 1 20 . 1 1 54 54 LEU CA C 54 54.400 54.400 55.186 -0.786 19974 16077 1 20 . 1 1 54 54 LEU CB C 54 42.810 42.810 41.640 1.170 19974 16078 1 20 . 1 1 54 54 LEU H H 54 8.270 8.270 8.011 0.259 19974 16079 1 20 . 1 1 55 55 LYS N N 55 116.580 116.580 114.218 2.362 19974 16080 1 20 . 1 1 55 55 LYS HA H 55 3.954 3.954 3.777 0.177 19974 16081 1 20 . 1 1 55 55 LYS C C 55 177.650 177.650 177.512 0.138 19974 16082 1 20 . 1 1 55 55 LYS CA C 55 56.630 56.630 57.560 -0.930 19974 16083 1 20 . 1 1 55 55 LYS CB C 55 28.110 28.110 29.882 -1.772 19974 16084 1 20 . 1 1 55 55 LYS H H 55 7.953 7.953 7.505 0.448 19974 16085 1 20 . 1 1 56 56 MET N N 56 114.460 114.460 117.261 -2.801 19974 16086 1 20 . 1 1 56 56 MET HA H 56 3.624 3.624 3.921 -0.297 19974 16087 1 20 . 1 1 56 56 MET C C 56 174.010 174.010 176.666 -2.656 19974 16088 1 20 . 1 1 56 56 MET CA C 56 56.800 56.800 59.397 -2.597 19974 16089 1 20 . 1 1 56 56 MET CB C 56 28.620 28.620 31.791 -3.171 19974 16090 1 20 . 1 1 56 56 MET H H 56 7.496 7.496 7.578 -0.082 19974 16091 1 20 . 1 1 57 57 ASP N N 57 113.610 113.610 119.127 -5.517 19974 16092 1 20 . 1 1 57 57 ASP HA H 57 4.490 4.490 4.267 0.223 19974 16093 1 20 . 1 1 57 57 ASP C C 57 176.060 176.060 176.647 -0.587 19974 16094 1 20 . 1 1 57 57 ASP CA C 57 53.030 53.030 56.408 -3.378 19974 16095 1 20 . 1 1 57 57 ASP CB C 57 38.940 38.940 40.559 -1.619 19974 16096 1 20 . 1 1 57 57 ASP H H 57 8.921 8.921 7.587 1.334 19974 16097 1 20 . 1 1 58 58 ASN N N 58 119.880 119.880 118.762 1.118 19974 16098 1 20 . 1 1 58 58 ASN HA H 58 4.885 4.885 4.645 0.240 19974 16099 1 20 . 1 1 58 58 ASN C C 58 174.060 174.060 174.383 -0.323 19974 16100 1 20 . 1 1 58 58 ASN CA C 58 52.190 52.190 53.080 -0.890 19974 16101 1 20 . 1 1 58 58 ASN CB C 58 37.230 37.230 37.225 0.005 19974 16102 1 20 . 1 1 58 58 ASN H H 58 7.070 7.070 7.548 -0.478 19974 16103 1 20 . 1 1 59 59 THR N N 59 108.570 108.570 118.658 -10.088 19974 16104 1 20 . 1 1 59 59 THR HA H 59 4.449 4.449 4.681 -0.232 19974 16105 1 20 . 1 1 59 59 THR C C 59 175.810 175.810 175.207 0.603 19974 16106 1 20 . 1 1 59 59 THR CA C 59 59.600 59.600 60.884 -1.284 19974 16107 1 20 . 1 1 59 59 THR CB C 59 70.900 70.900 71.484 -0.583 19974 16108 1 20 . 1 1 59 59 THR H H 59 7.636 7.636 8.103 -0.467 19974 16109 1 20 . 1 1 60 60 LYS N N 60 126.400 126.400 127.420 -1.020 19974 16110 1 20 . 1 1 60 60 LYS HA H 60 3.923 3.923 4.088 -0.165 19974 16111 1 20 . 1 1 60 60 LYS C C 60 179.030 179.030 177.678 1.352 19974 16112 1 20 . 1 1 60 60 LYS CA C 60 59.600 59.600 59.274 0.326 19974 16113 1 20 . 1 1 60 60 LYS CB C 60 32.480 32.480 32.303 0.177 19974 16114 1 20 . 1 1 60 60 LYS H H 60 10.322 10.322 9.331 0.991 19974 16115 1 20 . 1 1 61 61 LEU N N 61 114.780 114.780 117.467 -2.687 19974 16116 1 20 . 1 1 61 61 LEU HA H 61 4.430 4.430 4.469 -0.039 19974 16117 1 20 . 1 1 61 61 LEU C C 61 175.660 175.660 176.383 -0.723 19974 16118 1 20 . 1 1 61 61 LEU CA C 61 52.830 52.830 54.221 -1.391 19974 16119 1 20 . 1 1 61 61 LEU CB C 61 40.470 40.470 41.717 -1.247 19974 16120 1 20 . 1 1 61 61 LEU H H 61 8.555 8.555 7.647 0.908 19974 16121 1 20 . 1 1 62 62 GLN N N 62 116.490 116.490 113.881 2.609 19974 16122 1 20 . 1 1 62 62 GLN HA H 62 3.715 3.715 3.904 -0.189 19974 16123 1 20 . 1 1 62 62 GLN C C 62 175.060 175.060 174.717 0.343 19974 16124 1 20 . 1 1 62 62 GLN CA C 62 56.440 56.440 56.931 -0.491 19974 16125 1 20 . 1 1 62 62 GLN CB C 62 26.480 26.480 26.973 -0.493 19974 16126 1 20 . 1 1 62 62 GLN H H 62 7.526 7.526 7.829 -0.303 19974 16127 1 20 . 1 1 63 63 ASN N N 63 114.760 114.760 115.991 -1.231 19974 16128 1 20 . 1 1 63 63 ASN HA H 63 4.352 4.352 4.768 -0.416 19974 16129 1 20 . 1 1 63 63 ASN C C 63 173.790 173.790 174.928 -1.138 19974 16130 1 20 . 1 1 63 63 ASN CA C 63 50.680 50.680 52.251 -1.571 19974 16131 1 20 . 1 1 63 63 ASN CB C 63 35.110 35.110 37.803 -2.693 19974 16132 1 20 . 1 1 63 63 ASN H H 63 8.243 8.243 8.252 -0.009 19974 16133 1 20 . 1 1 64 64 GLY N N 64 105.820 105.820 107.852 -2.032 19974 16134 1 20 . 1 1 64 64 GLY C C 64 172.650 172.650 172.776 -0.126 19974 16135 1 20 . 1 1 64 64 GLY CA C 64 44.136 44.136 44.465 -0.329 19974 16136 1 20 . 1 1 64 64 GLY H H 64 8.618 8.618 7.468 1.150 19974 16137 1 20 . 1 1 65 65 VAL N N 65 120.490 120.490 126.051 -5.561 19974 16138 1 20 . 1 1 65 65 VAL HA H 65 4.814 4.814 4.221 0.593 19974 16139 1 20 . 1 1 65 65 VAL C C 65 172.610 172.610 174.071 -1.461 19974 16140 1 20 . 1 1 65 65 VAL CA C 65 60.890 60.890 61.417 -0.527 19974 16141 1 20 . 1 1 65 65 VAL CB C 65 35.570 35.570 34.229 1.341 19974 16142 1 20 . 1 1 65 65 VAL H H 65 9.053 9.053 9.256 -0.203 19974 16143 1 20 . 1 1 66 66 LEU N N 66 127.740 127.740 128.317 -0.577 19974 16144 1 20 . 1 1 66 66 LEU HA H 66 5.097 5.097 5.320 -0.223 19974 16145 1 20 . 1 1 66 66 LEU C C 66 175.120 175.120 174.839 0.281 19974 16146 1 20 . 1 1 66 66 LEU CA C 66 51.870 51.870 53.464 -1.594 19974 16147 1 20 . 1 1 66 66 LEU CB C 66 47.520 47.520 46.166 1.354 19974 16148 1 20 . 1 1 66 66 LEU H H 66 9.245 9.245 8.674 0.571 19974 16149 1 20 . 1 1 67 67 ILE N N 67 126.030 126.030 128.134 -2.104 19974 16150 1 20 . 1 1 67 67 ILE HA H 67 4.484 4.484 4.575 -0.091 19974 16151 1 20 . 1 1 67 67 ILE C C 67 173.290 173.290 174.706 -1.416 19974 16152 1 20 . 1 1 67 67 ILE CA C 67 61.090 61.090 60.648 0.442 19974 16153 1 20 . 1 1 67 67 ILE CB C 67 37.480 37.480 38.022 -0.542 19974 16154 1 20 . 1 1 67 67 ILE H H 67 8.974 8.974 8.989 -0.015 19974 16155 1 20 . 1 1 68 68 TYR N N 68 129.400 129.400 130.012 -0.612 19974 16156 1 20 . 1 1 68 68 TYR HA H 68 4.887 4.887 5.077 -0.190 19974 16157 1 20 . 1 1 68 68 TYR C C 68 174.140 174.140 173.935 0.205 19974 16158 1 20 . 1 1 68 68 TYR CA C 68 56.990 56.990 57.630 -0.640 19974 16159 1 20 . 1 1 68 68 TYR CB C 68 40.790 40.790 39.639 1.151 19974 16160 1 20 . 1 1 68 68 TYR H H 68 8.999 8.999 8.579 0.420 19974 16161 1 20 . 1 1 69 69 VAL N N 69 126.790 126.790 128.168 -1.378 19974 16162 1 20 . 1 1 69 69 VAL HA H 69 4.401 4.401 4.379 0.022 19974 16163 1 20 . 1 1 69 69 VAL C C 69 172.350 172.350 173.454 -1.104 19974 16164 1 20 . 1 1 69 69 VAL CA C 69 60.810 60.810 60.629 0.181 19974 16165 1 20 . 1 1 69 69 VAL CB C 69 34.360 34.360 35.479 -1.119 19974 16166 1 20 . 1 1 69 69 VAL H H 69 8.378 8.378 8.690 -0.312 19974 16167 1 20 . 1 1 70 70 ALA N N 70 129.770 129.770 129.578 0.192 19974 16168 1 20 . 1 1 70 70 ALA HA H 70 4.592 4.592 5.264 -0.672 19974 16169 1 20 . 1 1 70 70 ALA C C 70 177.620 177.620 178.015 -0.395 19974 16170 1 20 . 1 1 70 70 ALA CA C 70 49.210 49.210 49.779 -0.569 19974 16171 1 20 . 1 1 70 70 ALA CB C 70 17.470 17.470 19.647 -2.177 19974 16172 1 20 . 1 1 70 70 ALA H H 70 8.078 8.078 8.506 -0.428 19974 16173 1 20 . 1 1 71 71 VAL N N 71 120.880 120.880 120.399 0.481 19974 16174 1 20 . 1 1 71 71 VAL HA H 71 2.847 2.847 3.672 -0.825 19974 16175 1 20 . 1 1 71 71 VAL C C 71 178.310 178.310 176.568 1.742 19974 16176 1 20 . 1 1 71 71 VAL CA C 71 66.030 66.030 64.394 1.636 19974 16177 1 20 . 1 1 71 71 VAL CB C 71 32.110 32.110 31.377 0.733 19974 16178 1 20 . 1 1 71 71 VAL H H 71 8.597 8.597 8.215 0.382 19974 16179 1 20 . 1 1 72 72 GLU N N 72 119.350 119.350 121.406 -2.056 19974 16180 1 20 . 1 1 72 72 GLU HA H 72 3.955 3.955 4.239 -0.284 19974 16181 1 20 . 1 1 72 72 GLU C C 72 177.650 177.650 178.136 -0.486 19974 16182 1 20 . 1 1 72 72 GLU CA C 72 59.260 59.260 58.434 0.827 19974 16183 1 20 . 1 1 72 72 GLU CB C 72 28.940 28.940 30.034 -1.094 19974 16184 1 20 . 1 1 72 72 GLU H H 72 9.107 9.107 7.982 1.125 19974 16185 1 20 . 1 1 73 73 ASP N N 73 115.250 115.250 118.323 -3.073 19974 16186 1 20 . 1 1 73 73 ASP HA H 73 4.544 4.544 4.634 -0.090 19974 16187 1 20 . 1 1 73 73 ASP C C 73 175.460 175.460 176.082 -0.622 19974 16188 1 20 . 1 1 73 73 ASP CA C 73 54.030 54.030 54.445 -0.415 19974 16189 1 20 . 1 1 73 73 ASP CB C 73 41.350 41.350 41.178 0.172 19974 16190 1 20 . 1 1 73 73 ASP H H 73 7.039 7.039 8.114 -1.075 19974 16191 1 20 . 1 1 74 74 LYS N N 74 115.850 115.850 117.586 -1.736 19974 16192 1 20 . 1 1 74 74 LYS HA H 74 3.502 3.502 3.928 -0.426 19974 16193 1 20 . 1 1 74 74 LYS C C 74 174.920 174.920 175.254 -0.334 19974 16194 1 20 . 1 1 74 74 LYS CA C 74 57.180 57.180 57.272 -0.092 19974 16195 1 20 . 1 1 74 74 LYS CB C 74 29.100 29.100 30.343 -1.243 19974 16196 1 20 . 1 1 74 74 LYS H H 74 8.012 8.012 7.959 0.053 19974 16197 1 20 . 1 1 75 75 THR N N 75 111.710 111.710 108.644 3.066 19974 16198 1 20 . 1 1 75 75 THR HA H 75 4.725 4.725 5.025 -0.300 19974 16199 1 20 . 1 1 75 75 THR C C 75 172.150 172.150 172.830 -0.680 19974 16200 1 20 . 1 1 75 75 THR CA C 75 60.740 60.740 60.003 0.737 19974 16201 1 20 . 1 1 75 75 THR CB C 75 70.900 70.900 71.602 -0.702 19974 16202 1 20 . 1 1 75 75 THR H H 75 7.763 7.763 8.134 -0.371 19974 16203 1 20 . 1 1 76 76 PHE N N 76 117.220 117.220 117.028 0.192 19974 16204 1 20 . 1 1 76 76 PHE HA H 76 5.968 5.968 5.434 0.534 19974 16205 1 20 . 1 1 76 76 PHE C C 76 173.250 173.250 173.204 0.046 19974 16206 1 20 . 1 1 76 76 PHE CA C 76 54.920 54.920 56.575 -1.655 19974 16207 1 20 . 1 1 76 76 PHE CB C 76 42.780 42.780 41.404 1.376 19974 16208 1 20 . 1 1 76 76 PHE H H 76 7.992 7.992 8.220 -0.228 19974 16209 1 20 . 1 1 77 77 VAL N N 77 120.030 120.030 122.568 -2.538 19974 16210 1 20 . 1 1 77 77 VAL HA H 77 4.015 4.015 4.390 -0.375 19974 16211 1 20 . 1 1 77 77 VAL C C 77 173.310 173.310 174.226 -0.916 19974 16212 1 20 . 1 1 77 77 VAL CA C 77 60.840 60.840 60.713 0.127 19974 16213 1 20 . 1 1 77 77 VAL CB C 77 37.410 37.410 35.700 1.710 19974 16214 1 20 . 1 1 77 77 VAL H H 77 9.447 9.447 9.155 0.292 19974 16215 1 20 . 1 1 78 78 ILE N N 78 125.240 125.240 122.812 2.428 19974 16216 1 20 . 1 1 78 78 ILE HA H 78 4.433 4.433 4.928 -0.495 19974 16217 1 20 . 1 1 78 78 ILE C C 78 174.090 174.090 174.764 -0.674 19974 16218 1 20 . 1 1 78 78 ILE CA C 78 60.081 60.081 60.248 -0.168 19974 16219 1 20 . 1 1 78 78 ILE CB C 78 38.340 38.340 40.458 -2.118 19974 16220 1 20 . 1 1 78 78 ILE H H 78 8.155 8.155 8.243 -0.088 19974 16221 1 20 . 1 1 79 79 TYR N N 79 130.130 130.130 126.405 3.725 19974 16222 1 20 . 1 1 79 79 TYR HA H 79 4.422 4.422 4.918 -0.496 19974 16223 1 20 . 1 1 79 79 TYR C C 79 172.740 172.740 173.256 -0.516 19974 16224 1 20 . 1 1 79 79 TYR CA C 79 57.390 57.390 57.934 -0.544 19974 16225 1 20 . 1 1 79 79 TYR CB C 79 40.820 40.820 42.493 -1.673 19974 16226 1 20 . 1 1 79 79 TYR H H 79 9.328 9.328 9.199 0.129 19974 16227 1 20 . 1 1 80 80 GLY N N 80 114.140 114.140 113.259 0.881 19974 16228 1 20 . 1 1 80 80 GLY C C 80 171.090 171.090 172.740 -1.650 19974 16229 1 20 . 1 1 80 80 GLY CA C 80 42.860 42.860 43.271 -0.411 19974 16230 1 20 . 1 1 80 80 GLY H H 80 7.837 7.837 8.040 -0.203 19974 16231 1 20 . 1 1 81 81 ASP N N 81 115.660 115.660 120.020 -4.360 19974 16232 1 20 . 1 1 81 81 ASP HA H 81 4.248 4.248 4.603 -0.355 19974 16233 1 20 . 1 1 81 81 ASP C C 81 176.980 176.980 177.629 -0.649 19974 16234 1 20 . 1 1 81 81 ASP CA C 81 51.950 51.950 53.548 -1.598 19974 16235 1 20 . 1 1 81 81 ASP CB C 81 41.260 41.260 43.620 -2.360 19974 16236 1 20 . 1 1 81 81 ASP H H 81 7.633 7.633 8.395 -0.762 19974 16237 1 20 . 1 1 82 82 LYS N N 82 120.470 120.470 123.133 -2.663 19974 16238 1 20 . 1 1 82 82 LYS HA H 82 3.764 3.764 3.883 -0.119 19974 16239 1 20 . 1 1 82 82 LYS C C 82 176.350 176.350 178.270 -1.920 19974 16240 1 20 . 1 1 82 82 LYS CA C 82 59.290 59.290 59.767 -0.477 19974 16241 1 20 . 1 1 82 82 LYS CB C 82 33.720 33.720 32.465 1.255 19974 16242 1 20 . 1 1 82 82 LYS H H 82 9.212 9.212 8.929 0.283 19974 16243 1 20 . 1 1 83 83 GLY N N 83 105.260 105.260 106.680 -1.420 19974 16244 1 20 . 1 1 83 83 GLY C C 83 176.540 176.540 176.275 0.265 19974 16245 1 20 . 1 1 83 83 GLY CA C 83 46.260 46.260 47.131 -0.871 19974 16246 1 20 . 1 1 83 83 GLY H H 83 8.367 8.367 7.894 0.473 19974 16247 1 20 . 1 1 84 84 ILE N N 84 117.510 117.510 122.524 -5.014 19974 16248 1 20 . 1 1 84 84 ILE HA H 84 3.644 3.644 3.639 0.005 19974 16249 1 20 . 1 1 84 84 ILE C C 84 177.010 177.010 177.818 -0.808 19974 16250 1 20 . 1 1 84 84 ILE CA C 84 63.636 63.636 65.243 -1.607 19974 16251 1 20 . 1 1 84 84 ILE CB C 84 38.820 38.820 37.932 0.888 19974 16252 1 20 . 1 1 84 84 ILE H H 84 7.040 7.040 7.460 -0.420 19974 16253 1 20 . 1 1 85 85 ASN N N 85 117.400 117.400 117.046 0.354 19974 16254 1 20 . 1 1 85 85 ASN HA H 85 4.115 4.115 4.337 -0.222 19974 16255 1 20 . 1 1 85 85 ASN C C 85 176.600 176.600 176.733 -0.133 19974 16256 1 20 . 1 1 85 85 ASN CA C 85 55.840 55.840 55.624 0.216 19974 16257 1 20 . 1 1 85 85 ASN CB C 85 37.720 37.720 37.968 -0.248 19974 16258 1 20 . 1 1 85 85 ASN H H 85 7.351 7.351 7.832 -0.481 19974 16259 1 20 . 1 1 86 86 ASP N N 86 115.890 115.890 117.491 -1.601 19974 16260 1 20 . 1 1 86 86 ASP HA H 86 4.391 4.391 4.638 -0.247 19974 16261 1 20 . 1 1 86 86 ASP C C 86 177.240 177.240 177.227 0.013 19974 16262 1 20 . 1 1 86 86 ASP CA C 86 56.260 56.260 55.361 0.899 19974 16263 1 20 . 1 1 86 86 ASP CB C 86 41.200 41.200 41.407 -0.207 19974 16264 1 20 . 1 1 86 86 ASP H H 86 8.377 8.377 8.154 0.223 19974 16265 1 20 . 1 1 87 87 VAL N N 87 109.640 109.640 117.694 -8.054 19974 16266 1 20 . 1 1 87 87 VAL HA H 87 4.473 4.473 4.235 0.238 19974 16267 1 20 . 1 1 87 87 VAL C C 87 175.780 175.780 175.436 0.344 19974 16268 1 20 . 1 1 87 87 VAL CA C 87 61.320 61.320 62.161 -0.841 19974 16269 1 20 . 1 1 87 87 VAL CB C 87 34.170 34.170 33.641 0.529 19974 16270 1 20 . 1 1 87 87 VAL H H 87 7.196 7.196 7.616 -0.420 19974 16271 1 20 . 1 1 88 88 VAL N N 88 113.200 113.200 112.585 0.615 19974 16272 1 20 . 1 1 88 88 VAL HA H 88 3.789 3.789 4.247 -0.458 19974 16273 1 20 . 1 1 88 88 VAL C C 88 175.760 175.760 174.019 1.741 19974 16274 1 20 . 1 1 88 88 VAL CA C 88 60.640 60.640 59.133 1.507 19974 16275 1 20 . 1 1 88 88 VAL CB C 88 32.970 32.970 33.995 -1.025 19974 16276 1 20 . 1 1 88 88 VAL H H 88 6.921 6.921 7.785 -0.864 19974 16277 1 20 . 1 1 89 89 SER N N 89 114.460 114.460 114.198 0.262 19974 16278 1 20 . 1 1 89 89 SER HA H 89 4.546 4.546 4.773 -0.227 19974 16279 1 20 . 1 1 89 89 SER C C 89 175.720 175.720 174.812 0.908 19974 16280 1 20 . 1 1 89 89 SER CA C 89 57.330 57.330 56.704 0.626 19974 16281 1 20 . 1 1 89 89 SER CB C 89 64.500 64.500 66.382 -1.882 19974 16282 1 20 . 1 1 89 89 SER H H 89 7.738 7.738 8.342 -0.604 19974 16283 1 20 . 1 1 90 90 ASP N N 90 120.250 120.250 121.162 -0.912 19974 16284 1 20 . 1 1 90 90 ASP HA H 90 4.361 4.361 4.577 -0.216 19974 16285 1 20 . 1 1 90 90 ASP C C 90 176.630 176.630 177.882 -1.252 19974 16286 1 20 . 1 1 90 90 ASP CA C 90 57.050 57.050 57.085 -0.035 19974 16287 1 20 . 1 1 90 90 ASP CB C 90 40.540 40.540 40.386 0.154 19974 16288 1 20 . 1 1 90 90 ASP H H 90 8.687 8.687 8.926 -0.239 19974 16289 1 20 . 1 1 91 91 ASP N N 91 116.800 116.800 119.517 -2.717 19974 16290 1 20 . 1 1 91 91 ASP HA H 91 4.605 4.605 4.552 0.053 19974 16291 1 20 . 1 1 91 91 ASP C C 91 177.610 177.610 177.836 -0.226 19974 16292 1 20 . 1 1 91 91 ASP CA C 91 52.890 52.890 56.813 -3.924 19974 16293 1 20 . 1 1 91 91 ASP CB C 91 40.230 40.230 40.729 -0.499 19974 16294 1 20 . 1 1 91 91 ASP H H 91 8.250 8.250 8.062 0.188 19974 16295 1 20 . 1 1 92 92 PHE N N 92 122.130 122.130 120.606 1.524 19974 16296 1 20 . 1 1 92 92 PHE HA H 92 3.857 3.857 4.448 -0.591 19974 16297 1 20 . 1 1 92 92 PHE C C 92 177.040 177.040 176.685 0.355 19974 16298 1 20 . 1 1 92 92 PHE CA C 92 61.910 61.910 60.441 1.469 19974 16299 1 20 . 1 1 92 92 PHE CB C 92 40.696 40.696 39.858 0.838 19974 16300 1 20 . 1 1 92 92 PHE H H 92 7.564 7.564 7.633 -0.069 19974 16301 1 20 . 1 1 93 93 TRP N N 93 113.980 113.980 119.587 -5.607 19974 16302 1 20 . 1 1 93 93 TRP HA H 93 4.726 4.726 4.537 0.189 19974 16303 1 20 . 1 1 93 93 TRP C C 93 176.420 176.420 177.798 -1.378 19974 16304 1 20 . 1 1 93 93 TRP CA C 93 56.020 56.020 59.699 -3.679 19974 16305 1 20 . 1 1 93 93 TRP CB C 93 29.990 29.990 29.492 0.498 19974 16306 1 20 . 1 1 93 93 TRP H H 93 8.532 8.532 7.938 0.594 19974 16307 1 20 . 1 1 94 94 ASP N N 94 122.120 122.120 119.382 2.738 19974 16308 1 20 . 1 1 94 94 ASP HA H 94 4.228 4.228 4.434 -0.206 19974 16309 1 20 . 1 1 94 94 ASP C C 94 178.550 178.550 177.988 0.562 19974 16310 1 20 . 1 1 94 94 ASP CA C 94 59.120 59.120 58.496 0.624 19974 16311 1 20 . 1 1 94 94 ASP CB C 94 39.140 39.140 40.773 -1.633 19974 16312 1 20 . 1 1 94 94 ASP H H 94 7.904 7.904 8.467 -0.563 19974 16313 1 20 . 1 1 95 95 THR N N 95 111.200 111.200 109.479 1.721 19974 16314 1 20 . 1 1 95 95 THR HA H 95 4.004 4.004 4.003 0.001 19974 16315 1 20 . 1 1 95 95 THR C C 95 177.630 177.630 176.631 0.999 19974 16316 1 20 . 1 1 95 95 THR CA C 95 65.560 65.560 65.902 -0.342 19974 16317 1 20 . 1 1 95 95 THR CB C 95 68.230 68.230 68.608 -0.378 19974 16318 1 20 . 1 1 95 95 THR H H 95 8.559 8.559 8.003 0.556 19974 16319 1 20 . 1 1 96 96 THR N N 96 123.230 123.230 118.736 4.494 19974 16320 1 20 . 1 1 96 96 THR HA H 96 3.725 3.725 3.842 -0.117 19974 16321 1 20 . 1 1 96 96 THR C C 96 175.410 175.410 176.526 -1.116 19974 16322 1 20 . 1 1 96 96 THR CA C 96 68.286 68.286 66.870 1.416 19974 16323 1 20 . 1 1 96 96 THR CB C 96 68.200 68.200 68.457 -0.257 19974 16324 1 20 . 1 1 96 96 THR H H 96 7.991 7.991 7.890 0.101 19974 16325 1 20 . 1 1 97 97 ARG N N 97 119.960 119.960 120.989 -1.029 19974 16326 1 20 . 1 1 97 97 ARG HA H 97 3.829 3.829 3.998 -0.169 19974 16327 1 20 . 1 1 97 97 ARG C C 97 178.320 178.320 178.673 -0.353 19974 16328 1 20 . 1 1 97 97 ARG CA C 97 60.390 60.390 60.008 0.382 19974 16329 1 20 . 1 1 97 97 ARG CB C 97 29.870 29.870 30.168 -0.298 19974 16330 1 20 . 1 1 97 97 ARG H H 97 8.825 8.825 7.847 0.978 19974 16331 1 20 . 1 1 98 98 ASN N N 98 115.680 115.680 118.065 -2.385 19974 16332 1 20 . 1 1 98 98 ASN HA H 98 4.390 4.390 4.486 -0.096 19974 16333 1 20 . 1 1 98 98 ASN C C 98 176.620 176.620 177.493 -0.873 19974 16334 1 20 . 1 1 98 98 ASN CA C 98 56.050 56.050 56.317 -0.267 19974 16335 1 20 . 1 1 98 98 ASN CB C 98 38.220 38.220 38.474 -0.254 19974 16336 1 20 . 1 1 98 98 ASN H H 98 8.508 8.508 8.366 0.142 19974 16337 1 20 . 1 1 99 99 ALA N N 99 120.830 120.830 123.748 -2.918 19974 16338 1 20 . 1 1 99 99 ALA HA H 99 4.020 4.020 3.986 0.034 19974 16339 1 20 . 1 1 99 99 ALA C C 99 179.800 179.800 179.243 0.557 19974 16340 1 20 . 1 1 99 99 ALA CA C 99 54.770 54.770 55.110 -0.340 19974 16341 1 20 . 1 1 99 99 ALA CB C 99 18.110 18.110 18.608 -0.498 19974 16342 1 20 . 1 1 99 99 ALA H H 99 7.447 7.447 8.126 -0.679 19974 16343 1 20 . 1 1 100 100 ILE N N 100 116.240 116.240 119.327 -3.087 19974 16344 1 20 . 1 1 100 100 ILE HA H 100 3.203 3.203 3.487 -0.284 19974 16345 1 20 . 1 1 100 100 ILE C C 100 178.050 178.050 177.690 0.360 19974 16346 1 20 . 1 1 100 100 ILE CA C 100 64.550 64.550 65.021 -0.471 19974 16347 1 20 . 1 1 100 100 ILE CB C 100 37.640 37.640 37.410 0.230 19974 16348 1 20 . 1 1 100 100 ILE H H 100 7.339 7.339 7.662 -0.323 19974 16349 1 20 . 1 1 101 101 GLN N N 101 118.750 118.750 119.150 -0.400 19974 16350 1 20 . 1 1 101 101 GLN HA H 101 3.917 3.917 3.474 0.443 19974 16351 1 20 . 1 1 101 101 GLN C C 101 177.870 177.870 178.222 -0.352 19974 16352 1 20 . 1 1 101 101 GLN CA C 101 59.200 59.200 59.059 0.141 19974 16353 1 20 . 1 1 101 101 GLN CB C 101 28.860 28.860 28.699 0.161 19974 16354 1 20 . 1 1 101 101 GLN H H 101 8.359 8.359 8.114 0.245 19974 16355 1 20 . 1 1 102 102 LEU N N 102 117.790 117.790 120.054 -2.264 19974 16356 1 20 . 1 1 102 102 LEU HA H 102 3.951 3.951 4.115 -0.164 19974 16357 1 20 . 1 1 102 102 LEU C C 102 179.550 179.550 179.194 0.356 19974 16358 1 20 . 1 1 102 102 LEU CA C 102 58.190 58.190 58.088 0.102 19974 16359 1 20 . 1 1 102 102 LEU CB C 102 42.320 42.320 41.381 0.939 19974 16360 1 20 . 1 1 102 102 LEU H H 102 8.119 8.119 7.785 0.334 19974 16361 1 20 . 1 1 103 103 GLN N N 103 113.650 113.650 118.565 -4.915 19974 16362 1 20 . 1 1 103 103 GLN HA H 103 4.426 4.426 4.101 0.325 19974 16363 1 20 . 1 1 103 103 GLN C C 103 179.680 179.680 178.886 0.794 19974 16364 1 20 . 1 1 103 103 GLN CA C 103 56.550 56.550 58.682 -2.132 19974 16365 1 20 . 1 1 103 103 GLN CB C 103 27.480 27.480 28.252 -0.772 19974 16366 1 20 . 1 1 103 103 GLN H H 103 6.636 6.636 7.705 -1.069 19974 16367 1 20 . 1 1 104 104 PHE N N 104 123.740 123.740 120.090 3.650 19974 16368 1 20 . 1 1 104 104 PHE HA H 104 3.895 3.895 4.320 -0.425 19974 16369 1 20 . 1 1 104 104 PHE C C 104 180.130 180.130 177.922 2.208 19974 16370 1 20 . 1 1 104 104 PHE CA C 104 59.760 59.760 61.059 -1.299 19974 16371 1 20 . 1 1 104 104 PHE CB C 104 36.620 36.620 38.830 -2.210 19974 16372 1 20 . 1 1 104 104 PHE H H 104 9.161 9.161 8.664 0.497 19974 16373 1 20 . 1 1 105 105 LYS N N 105 119.280 119.280 117.768 1.512 19974 16374 1 20 . 1 1 105 105 LYS HA H 105 4.126 4.126 4.005 0.121 19974 16375 1 20 . 1 1 105 105 LYS C C 105 177.290 177.290 178.487 -1.197 19974 16376 1 20 . 1 1 105 105 LYS CA C 105 58.913 58.913 59.072 -0.159 19974 16377 1 20 . 1 1 105 105 LYS CB C 105 31.920 31.920 32.340 -0.420 19974 16378 1 20 . 1 1 105 105 LYS H H 105 8.519 8.519 8.155 0.364 19974 16379 1 20 . 1 1 106 106 GLN N N 106 114.530 114.530 115.188 -0.658 19974 16380 1 20 . 1 1 106 106 GLN HA H 106 4.415 4.415 4.228 0.187 19974 16381 1 20 . 1 1 106 106 GLN C C 106 175.450 175.450 177.244 -1.794 19974 16382 1 20 . 1 1 106 106 GLN CA C 106 54.850 54.850 56.425 -1.575 19974 16383 1 20 . 1 1 106 106 GLN CB C 106 30.010 30.010 29.441 0.569 19974 16384 1 20 . 1 1 106 106 GLN H H 106 6.934 6.934 7.594 -0.660 19974 16385 1 20 . 1 1 107 107 GLY N N 107 106.800 106.800 106.780 0.020 19974 16386 1 20 . 1 1 107 107 GLY C C 107 173.140 173.140 173.985 -0.845 19974 16387 1 20 . 1 1 107 107 GLY CA C 107 44.930 44.930 44.502 0.428 19974 16388 1 20 . 1 1 107 107 GLY H H 107 7.722 7.722 8.048 -0.326 19974 16389 1 20 . 1 1 108 108 ASN N N 108 120.230 120.230 120.999 -0.769 19974 16390 1 20 . 1 1 108 108 ASN HA H 108 4.827 4.827 4.855 -0.028 19974 16391 1 20 . 1 1 108 108 ASN C C 108 174.820 174.820 175.264 -0.444 19974 16392 1 20 . 1 1 108 108 ASN CA C 108 50.520 50.520 50.593 -0.073 19974 16393 1 20 . 1 1 108 108 ASN CB C 108 37.090 37.090 36.993 0.097 19974 16394 1 20 . 1 1 108 108 ASN H H 108 7.654 7.654 8.091 -0.437 19974 16395 1 20 . 1 1 109 109 PHE N N 109 122.130 122.130 121.924 0.206 19974 16396 1 20 . 1 1 109 109 PHE HA H 109 4.038 4.038 3.559 0.479 19974 16397 1 20 . 1 1 109 109 PHE C C 109 177.270 177.270 177.556 -0.286 19974 16398 1 20 . 1 1 109 109 PHE CA C 109 60.670 60.670 60.737 -0.068 19974 16399 1 20 . 1 1 109 109 PHE CB C 109 38.220 38.220 37.904 0.316 19974 16400 1 20 . 1 1 109 109 PHE H H 109 7.231 7.231 6.904 0.327 19974 16401 1 20 . 1 1 110 110 LYS N N 110 118.670 118.670 119.371 -0.701 19974 16402 1 20 . 1 1 110 110 LYS HA H 110 3.610 3.610 3.855 -0.245 19974 16403 1 20 . 1 1 110 110 LYS C C 110 177.680 177.680 178.556 -0.876 19974 16404 1 20 . 1 1 110 110 LYS CA C 110 60.050 60.050 60.223 -0.173 19974 16405 1 20 . 1 1 110 110 LYS CB C 110 29.680 29.680 31.594 -1.914 19974 16406 1 20 . 1 1 110 110 LYS H H 110 8.727 8.727 8.601 0.126 19974 16407 1 20 . 1 1 111 111 GLN N N 111 117.980 117.980 119.166 -1.186 19974 16408 1 20 . 1 1 111 111 GLN HA H 111 3.491 3.491 4.097 -0.606 19974 16409 1 20 . 1 1 111 111 GLN C C 111 177.640 177.640 178.350 -0.710 19974 16410 1 20 . 1 1 111 111 GLN CA C 111 57.530 57.530 58.629 -1.099 19974 16411 1 20 . 1 1 111 111 GLN CB C 111 28.460 28.460 28.187 0.273 19974 16412 1 20 . 1 1 111 111 GLN H H 111 8.442 8.442 8.232 0.210 19974 16413 1 20 . 1 1 112 112 GLY N N 112 103.740 103.740 107.688 -3.948 19974 16414 1 20 . 1 1 112 112 GLY C C 112 173.970 173.970 176.534 -2.564 19974 16415 1 20 . 1 1 112 112 GLY CA C 112 48.730 48.730 47.099 1.631 19974 16416 1 20 . 1 1 112 112 GLY H H 112 8.196 8.196 8.326 -0.130 19974 16417 1 20 . 1 1 113 113 LEU N N 113 119.640 119.640 123.122 -3.482 19974 16418 1 20 . 1 1 113 113 LEU HA H 113 3.868 3.868 3.946 -0.078 19974 16419 1 20 . 1 1 113 113 LEU C C 113 177.480 177.480 178.951 -1.471 19974 16420 1 20 . 1 1 113 113 LEU CA C 113 58.150 58.150 57.952 0.198 19974 16421 1 20 . 1 1 113 113 LEU CB C 113 41.920 41.920 42.058 -0.138 19974 16422 1 20 . 1 1 113 113 LEU H H 113 7.614 7.614 8.091 -0.477 19974 16423 1 20 . 1 1 114 114 VAL N N 114 118.510 118.510 120.900 -2.390 19974 16424 1 20 . 1 1 114 114 VAL HA H 114 3.269 3.269 3.456 -0.187 19974 16425 1 20 . 1 1 114 114 VAL C C 114 177.330 177.330 177.952 -0.622 19974 16426 1 20 . 1 1 114 114 VAL CA C 114 67.787 67.787 67.511 0.276 19974 16427 1 20 . 1 1 114 114 VAL CB C 114 31.600 31.600 31.515 0.086 19974 16428 1 20 . 1 1 114 114 VAL H H 114 8.284 8.284 8.590 -0.306 19974 16429 1 20 . 1 1 115 115 ASP N N 115 119.440 119.440 119.030 0.410 19974 16430 1 20 . 1 1 115 115 ASP HA H 115 4.261 4.261 4.406 -0.145 19974 16431 1 20 . 1 1 115 115 ASP C C 115 179.840 179.840 178.806 1.034 19974 16432 1 20 . 1 1 115 115 ASP CA C 115 56.950 56.950 57.263 -0.313 19974 16433 1 20 . 1 1 115 115 ASP CB C 115 39.840 39.840 40.257 -0.417 19974 16434 1 20 . 1 1 115 115 ASP H H 115 8.724 8.724 8.659 0.065 19974 16435 1 20 . 1 1 116 116 GLY N N 116 107.280 107.280 108.262 -0.982 19974 16436 1 20 . 1 1 116 116 GLY C C 116 174.130 174.130 176.241 -2.111 19974 16437 1 20 . 1 1 116 116 GLY CA C 116 47.190 47.190 46.793 0.397 19974 16438 1 20 . 1 1 116 116 GLY H H 116 8.370 8.370 7.789 0.581 19974 16439 1 20 . 1 1 117 117 ILE N N 117 123.350 123.350 122.533 0.817 19974 16440 1 20 . 1 1 117 117 ILE HA H 117 3.307 3.307 3.616 -0.309 19974 16441 1 20 . 1 1 117 117 ILE C C 117 176.750 176.750 177.140 -0.390 19974 16442 1 20 . 1 1 117 117 ILE CA C 117 66.168 66.168 65.192 0.976 19974 16443 1 20 . 1 1 117 117 ILE CB C 117 37.760 37.760 37.910 -0.150 19974 16444 1 20 . 1 1 117 117 ILE H H 117 8.573 8.573 8.367 0.206 19974 16445 1 20 . 1 1 118 118 GLU N N 118 119.220 119.220 121.299 -2.079 19974 16446 1 20 . 1 1 118 118 GLU HA H 118 4.003 4.003 3.802 0.201 19974 16447 1 20 . 1 1 118 118 GLU C C 118 180.600 180.600 178.738 1.862 19974 16448 1 20 . 1 1 118 118 GLU CA C 118 59.472 59.472 60.197 -0.725 19974 16449 1 20 . 1 1 118 118 GLU CB C 118 29.310 29.310 29.481 -0.171 19974 16450 1 20 . 1 1 118 118 GLU H H 118 7.998 7.998 8.546 -0.548 19974 16451 1 20 . 1 1 119 119 LYS N N 119 118.270 118.270 118.431 -0.161 19974 16452 1 20 . 1 1 119 119 LYS HA H 119 3.897 3.897 4.056 -0.159 19974 16453 1 20 . 1 1 119 119 LYS C C 119 179.040 179.040 178.934 0.106 19974 16454 1 20 . 1 1 119 119 LYS CA C 119 58.090 58.090 59.155 -1.065 19974 16455 1 20 . 1 1 119 119 LYS CB C 119 31.340 31.340 32.265 -0.925 19974 16456 1 20 . 1 1 119 119 LYS H H 119 7.846 7.846 7.668 0.178 19974 16457 1 20 . 1 1 120 120 ALA N N 120 125.280 125.280 122.926 2.354 19974 16458 1 20 . 1 1 120 120 ALA HA H 120 4.195 4.195 3.960 0.235 19974 16459 1 20 . 1 1 120 120 ALA C C 120 180.230 180.230 179.446 0.784 19974 16460 1 20 . 1 1 120 120 ALA CA C 120 55.040 55.040 55.022 0.018 19974 16461 1 20 . 1 1 120 120 ALA CB C 120 17.380 17.380 18.260 -0.880 19974 16462 1 20 . 1 1 120 120 ALA H H 120 9.092 9.092 7.715 1.377 19974 16463 1 20 . 1 1 121 121 GLY N N 121 104.130 104.130 106.719 -2.589 19974 16464 1 20 . 1 1 121 121 GLY C C 121 174.930 174.930 176.326 -1.396 19974 16465 1 20 . 1 1 121 121 GLY CA C 121 47.590 47.590 47.067 0.523 19974 16466 1 20 . 1 1 121 121 GLY H H 121 8.606 8.606 8.486 0.120 19974 16467 1 20 . 1 1 122 122 MET N N 122 117.000 117.000 121.417 -4.417 19974 16468 1 20 . 1 1 122 122 MET HA H 122 4.183 4.183 4.008 0.175 19974 16469 1 20 . 1 1 122 122 MET C C 122 178.500 178.500 178.616 -0.116 19974 16470 1 20 . 1 1 122 122 MET CA C 122 57.470 57.470 59.358 -1.888 19974 16471 1 20 . 1 1 122 122 MET CB C 122 32.200 32.200 32.638 -0.438 19974 16472 1 20 . 1 1 122 122 MET H H 122 7.284 7.284 8.035 -0.751 19974 16473 1 20 . 1 1 123 123 ALA N N 123 124.060 124.060 121.681 2.379 19974 16474 1 20 . 1 1 123 123 ALA HA H 123 4.076 4.076 4.311 -0.235 19974 16475 1 20 . 1 1 123 123 ALA C C 123 180.880 180.880 180.490 0.390 19974 16476 1 20 . 1 1 123 123 ALA CA C 123 54.760 54.760 54.790 -0.030 19974 16477 1 20 . 1 1 123 123 ALA CB C 123 17.590 17.590 18.342 -0.752 19974 16478 1 20 . 1 1 123 123 ALA H H 123 8.308 8.308 8.156 0.152 19974 16479 1 20 . 1 1 124 124 LEU N N 124 117.060 117.060 120.364 -3.304 19974 16480 1 20 . 1 1 124 124 LEU HA H 124 4.270 4.270 4.346 -0.076 19974 16481 1 20 . 1 1 124 124 LEU C C 124 179.170 179.170 179.180 -0.010 19974 16482 1 20 . 1 1 124 124 LEU CA C 124 57.840 57.840 57.955 -0.115 19974 16483 1 20 . 1 1 124 124 LEU CB C 124 42.920 42.920 41.872 1.048 19974 16484 1 20 . 1 1 124 124 LEU H H 124 8.871 8.871 8.726 0.145 19974 16485 1 20 . 1 1 125 125 ALA N N 125 120.950 120.950 120.715 0.235 19974 16486 1 20 . 1 1 125 125 ALA HA H 125 3.956 3.956 4.459 -0.503 19974 16487 1 20 . 1 1 125 125 ALA C C 125 177.740 177.740 179.105 -1.365 19974 16488 1 20 . 1 1 125 125 ALA CA C 125 55.220 55.220 54.805 0.415 19974 16489 1 20 . 1 1 125 125 ALA CB C 125 19.180 19.180 18.480 0.700 19974 16490 1 20 . 1 1 125 125 ALA H H 125 7.829 7.829 8.542 -0.713 19974 16491 1 20 . 1 1 126 126 LYS N N 126 113.320 113.320 118.055 -4.735 19974 16492 1 20 . 1 1 126 126 LYS HA H 126 3.798 3.798 4.030 -0.232 19974 16493 1 20 . 1 1 126 126 LYS C C 126 176.550 176.550 178.197 -1.647 19974 16494 1 20 . 1 1 126 126 LYS CA C 126 58.490 58.490 58.730 -0.240 19974 16495 1 20 . 1 1 126 126 LYS CB C 126 32.620 32.620 32.369 0.251 19974 16496 1 20 . 1 1 126 126 LYS H H 126 6.971 6.971 7.711 -0.740 19974 16497 1 20 . 1 1 127 127 TYR N N 127 113.850 113.850 116.647 -2.797 19974 16498 1 20 . 1 1 127 127 TYR HA H 127 4.067 4.067 4.183 -0.116 19974 16499 1 20 . 1 1 127 127 TYR C C 127 174.390 174.390 175.665 -1.275 19974 16500 1 20 . 1 1 127 127 TYR CA C 127 58.770 58.770 60.381 -1.611 19974 16501 1 20 . 1 1 127 127 TYR CB C 127 41.930 41.930 39.729 2.201 19974 16502 1 20 . 1 1 127 127 TYR H H 127 6.817 6.817 7.678 -0.861 19974 16503 1 20 . 1 1 128 128 PHE N N 128 116.130 116.130 117.286 -1.156 19974 16504 1 20 . 1 1 128 128 PHE HA H 128 4.907 4.907 4.938 -0.031 19974 16505 1 20 . 1 1 128 128 PHE C C 128 172.450 172.450 173.608 -1.158 19974 16506 1 20 . 1 1 128 128 PHE CA C 128 55.003 55.003 55.258 -0.256 19974 16507 1 20 . 1 1 128 128 PHE CB C 128 38.550 38.550 40.486 -1.936 19974 16508 1 20 . 1 1 128 128 PHE H H 128 8.688 8.688 8.269 0.419 19974 16509 1 20 . 1 1 129 129 PRO HA H 129 4.680 4.680 4.666 0.014 19974 16510 1 20 . 1 1 129 129 PRO C C 129 175.720 175.720 176.570 -0.850 19974 16511 1 20 . 1 1 129 129 PRO CA C 129 63.382 63.382 62.571 0.812 19974 16512 1 20 . 1 1 129 129 PRO CB C 129 31.810 31.810 32.149 -0.339 19974 16513 1 20 . 1 1 130 130 TRP N N 130 123.170 123.170 126.887 -3.717 19974 16514 1 20 . 1 1 130 130 TRP HA H 130 4.031 4.031 4.435 -0.404 19974 16515 1 20 . 1 1 130 130 TRP C C 130 175.310 175.310 175.298 0.012 19974 16516 1 20 . 1 1 130 130 TRP CA C 130 59.510 59.510 58.894 0.616 19974 16517 1 20 . 1 1 130 130 TRP CB C 130 29.300 29.300 30.155 -0.855 19974 16518 1 20 . 1 1 130 130 TRP H H 130 7.910 7.910 8.433 -0.523 19974 16519 1 20 . 1 1 131 131 LYS N N 131 127.060 127.060 125.702 1.358 19974 16520 1 20 . 1 1 131 131 LYS HA H 131 4.260 4.260 4.196 0.064 19974 16521 1 20 . 1 1 131 131 LYS C C 131 174.450 174.450 176.003 -1.553 19974 16522 1 20 . 1 1 131 131 LYS CA C 131 53.240 53.240 54.434 -1.194 19974 16523 1 20 . 1 1 131 131 LYS CB C 131 35.250 35.250 35.159 0.091 19974 16524 1 20 . 1 1 131 131 LYS H H 131 8.097 8.097 7.157 0.940 19974 16525 1 20 . 1 1 132 132 LYS N N 132 116.250 116.250 121.573 -5.323 19974 16526 1 20 . 1 1 132 132 LYS HA H 132 3.398 3.398 3.596 -0.198 19974 16527 1 20 . 1 1 132 132 LYS C C 132 176.550 176.550 176.249 0.301 19974 16528 1 20 . 1 1 132 132 LYS CA C 132 58.140 58.140 58.122 0.018 19974 16529 1 20 . 1 1 132 132 LYS CB C 132 31.880 31.880 32.412 -0.532 19974 16530 1 20 . 1 1 132 132 LYS H H 132 7.761 7.761 8.385 -0.624 19974 16531 1 20 . 1 1 133 133 ASP N N 133 116.600 116.600 117.959 -1.359 19974 16532 1 20 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.604 -0.253 19974 16533 1 20 . 1 1 133 133 ASP C C 133 175.320 175.320 175.288 0.032 19974 16534 1 20 . 1 1 133 133 ASP CA C 133 52.520 52.520 53.755 -1.235 19974 16535 1 20 . 1 1 133 133 ASP CB C 133 38.720 38.720 40.460 -1.740 19974 16536 1 20 . 1 1 133 133 ASP H H 133 7.633 7.633 7.852 -0.219 19974 16537 1 20 . 1 1 134 134 ASP N N 134 119.140 119.140 120.717 -1.577 19974 16538 1 20 . 1 1 134 134 ASP HA H 134 3.989 3.989 4.387 -0.398 19974 16539 1 20 . 1 1 134 134 ASP C C 134 175.500 175.500 176.136 -0.636 19974 16540 1 20 . 1 1 134 134 ASP CA C 134 56.410 56.410 54.505 1.905 19974 16541 1 20 . 1 1 134 134 ASP CB C 134 42.740 42.740 41.402 1.338 19974 16542 1 20 . 1 1 134 134 ASP H H 134 7.251 7.251 7.248 0.003 19974 16543 1 20 . 1 1 135 135 ILE N N 135 123.230 123.230 121.278 1.952 19974 16544 1 20 . 1 1 135 135 ILE HA H 135 4.301 4.301 4.400 -0.099 19974 16545 1 20 . 1 1 135 135 ILE C C 135 176.300 176.300 174.915 1.385 19974 16546 1 20 . 1 1 135 135 ILE CA C 135 58.640 58.640 59.915 -1.275 19974 16547 1 20 . 1 1 135 135 ILE CB C 135 40.800 40.800 39.686 1.114 19974 16548 1 20 . 1 1 135 135 ILE H H 135 8.351 8.351 8.138 0.213 19974 16549 1 20 . 1 1 136 136 ASP N N 136 131.670 131.670 126.917 4.753 19974 16550 1 20 . 1 1 136 136 ASP HA H 136 5.640 5.640 4.734 0.906 19974 16551 1 20 . 1 1 136 136 ASP C C 136 176.150 176.150 176.078 0.072 19974 16552 1 20 . 1 1 136 136 ASP CA C 136 52.560 52.560 53.578 -1.018 19974 16553 1 20 . 1 1 136 136 ASP CB C 136 38.180 38.180 40.428 -2.248 19974 16554 1 20 . 1 1 136 136 ASP H H 136 9.036 9.036 8.635 0.401 19974 16555 1 20 . 1 1 137 137 GLU N N 137 125.270 125.270 124.092 1.178 19974 16556 1 20 . 1 1 137 137 GLU HA H 137 3.735 3.735 4.297 -0.562 19974 16557 1 20 . 1 1 137 137 GLU C C 137 176.110 176.110 176.879 -0.769 19974 16558 1 20 . 1 1 137 137 GLU CA C 137 59.490 59.490 57.159 2.331 19974 16559 1 20 . 1 1 137 137 GLU CB C 137 32.880 32.880 30.624 2.256 19974 16560 1 20 . 1 1 137 137 GLU H H 137 8.435 8.435 8.697 -0.262 19974 16561 1 20 . 1 1 138 138 LEU N N 138 117.210 117.210 121.087 -3.877 19974 16562 1 20 . 1 1 138 138 LEU HA H 138 4.960 4.960 4.658 0.302 19974 16563 1 20 . 1 1 138 138 LEU C C 138 173.560 173.560 174.799 -1.239 19974 16564 1 20 . 1 1 138 138 LEU CA C 138 50.310 50.310 52.218 -1.908 19974 16565 1 20 . 1 1 138 138 LEU CB C 138 41.350 41.350 42.580 -1.230 19974 16566 1 20 . 1 1 138 138 LEU H H 138 8.308 8.308 8.102 0.206 19974 16567 1 20 . 1 1 139 139 PRO HA H 139 4.335 4.335 4.629 -0.294 19974 16568 1 20 . 1 1 139 139 PRO C C 139 177.700 177.700 176.259 1.441 19974 16569 1 20 . 1 1 139 139 PRO CA C 139 62.550 62.550 62.150 0.400 19974 16570 1 20 . 1 1 139 139 PRO CB C 139 32.520 32.520 33.204 -0.684 19974 16571 1 20 . 1 1 140 140 ASN N N 140 120.930 120.930 119.181 1.749 19974 16572 1 20 . 1 1 140 140 ASN HA H 140 4.730 4.730 4.575 0.155 19974 16573 1 20 . 1 1 140 140 ASN C C 140 174.460 174.460 175.324 -0.864 19974 16574 1 20 . 1 1 140 140 ASN CA C 140 52.790 52.790 54.081 -1.292 19974 16575 1 20 . 1 1 140 140 ASN CB C 140 38.520 38.520 38.582 -0.062 19974 16576 1 20 . 1 1 140 140 ASN H H 140 9.213 9.213 8.646 0.567 19974 16577 1 20 . 1 1 141 141 THR N N 141 107.730 107.730 115.901 -8.171 19974 16578 1 20 . 1 1 141 141 THR HA H 141 3.853 3.853 4.220 -0.367 19974 16579 1 20 . 1 1 141 141 THR C C 141 176.410 176.410 174.715 1.695 19974 16580 1 20 . 1 1 141 141 THR CA C 141 61.560 61.560 62.827 -1.267 19974 16581 1 20 . 1 1 141 141 THR CB C 141 69.450 69.450 69.526 -0.076 19974 16582 1 20 . 1 1 141 141 THR H H 141 7.003 7.003 7.589 -0.586 19974 16583 1 20 . 1 1 142 142 ILE N N 142 129.530 129.530 125.022 4.508 19974 16584 1 20 . 1 1 142 142 ILE HA H 142 3.976 3.976 3.844 0.132 19974 16585 1 20 . 1 1 142 142 ILE C C 142 176.020 176.020 176.136 -0.116 19974 16586 1 20 . 1 1 142 142 ILE CA C 142 62.150 62.150 62.245 -0.095 19974 16587 1 20 . 1 1 142 142 ILE CB C 142 37.890 37.890 38.313 -0.423 19974 16588 1 20 . 1 1 142 142 ILE H H 142 9.030 9.030 8.313 0.717 19974 16589 1 20 . 1 1 143 143 SER N N 143 124.630 124.630 123.532 1.098 19974 16590 1 20 . 1 1 143 143 SER HA H 143 4.481 4.481 4.761 -0.280 19974 16591 1 20 . 1 1 143 143 SER C C 143 172.920 172.920 172.674 0.246 19974 16592 1 20 . 1 1 143 143 SER CA C 143 57.120 57.120 57.870 -0.750 19974 16593 1 20 . 1 1 143 143 SER CB C 143 60.710 60.710 64.700 -3.990 19974 16594 1 20 . 1 1 143 143 SER H H 143 8.709 8.709 8.603 0.106 19974 16595 1 20 . 1 1 144 144 LYS N N 144 126.170 126.170 124.181 1.989 19974 16596 1 20 . 1 1 144 144 LYS HA H 144 4.954 4.954 4.565 0.389 19974 16597 1 20 . 1 1 144 144 LYS C C 144 175.910 175.910 175.976 -0.066 19974 16598 1 20 . 1 1 144 144 LYS CA C 144 54.580 54.580 54.969 -0.389 19974 16599 1 20 . 1 1 144 144 LYS CB C 144 35.170 35.170 35.537 -0.367 19974 16600 1 20 . 1 1 144 144 LYS H H 144 8.043 8.043 8.428 -0.385 19974 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 139 2.792 0.669 2.720 19974 2 1 1 "Average Difference" HA 150 0.362 0.133 0.338 19974 3 1 1 "Average Difference" C 142 1.115 0.251 1.091 19974 4 1 1 "Average Difference" CA 142 1.090 0.213 1.073 19974 5 1 1 "Average Difference" CB 134 1.302 0.295 1.273 19974 6 1 1 "Average Difference" HN 139 0.525 0.046 0.525 19974 7 1 2 "Average Difference" N 139 2.921 0.729 2.839 19974 8 1 2 "Average Difference" HA 150 0.346 0.133 0.321 19974 9 1 2 "Average Difference" C 142 1.118 0.284 1.085 19974 10 1 2 "Average Difference" CA 142 1.169 0.251 1.146 19974 11 1 2 "Average Difference" CB 134 1.326 0.293 1.298 19974 12 1 2 "Average Difference" HN 139 0.520 0.051 0.519 19974 13 1 3 "Average Difference" N 139 2.928 0.769 2.835 19974 14 1 3 "Average Difference" HA 150 0.349 0.137 0.322 19974 15 1 3 "Average Difference" C 142 1.088 0.197 1.074 19974 16 1 3 "Average Difference" CA 142 1.105 0.226 1.086 19974 17 1 3 "Average Difference" CB 134 1.309 0.332 1.271 19974 18 1 3 "Average Difference" HN 139 0.532 0.004 0.534 19974 19 1 4 "Average Difference" N 139 2.958 0.925 2.820 19974 20 1 4 "Average Difference" HA 150 0.342 0.124 0.320 19974 21 1 4 "Average Difference" C 142 1.089 0.273 1.058 19974 22 1 4 "Average Difference" CA 142 1.157 0.206 1.143 19974 23 1 4 "Average Difference" CB 134 1.263 0.264 1.239 19974 24 1 4 "Average Difference" HN 139 0.548 0.008 0.550 19974 25 1 5 "Average Difference" N 139 2.917 0.784 2.819 19974 26 1 5 "Average Difference" HA 150 0.338 0.131 0.313 19974 27 1 5 "Average Difference" C 142 1.156 0.254 1.131 19974 28 1 5 "Average Difference" CA 142 1.145 0.226 1.127 19974 29 1 5 "Average Difference" CB 134 1.236 0.319 1.199 19974 30 1 5 "Average Difference" HN 139 0.534 0.038 0.535 19974 31 1 6 "Average Difference" N 139 2.816 0.694 2.739 19974 32 1 6 "Average Difference" HA 150 0.364 0.151 0.332 19974 33 1 6 "Average Difference" C 142 1.028 0.201 1.011 19974 34 1 6 "Average Difference" CA 142 1.077 0.212 1.060 19974 35 1 6 "Average Difference" CB 134 1.250 0.318 1.213 19974 36 1 6 "Average Difference" HN 139 0.565 0.046 0.565 19974 37 1 7 "Average Difference" N 139 2.648 0.740 2.552 19974 38 1 7 "Average Difference" HA 150 0.369 0.160 0.334 19974 39 1 7 "Average Difference" C 142 1.118 0.294 1.082 19974 40 1 7 "Average Difference" CA 142 1.116 0.196 1.103 19974 41 1 7 "Average Difference" CB 134 1.181 0.281 1.151 19974 42 1 7 "Average Difference" HN 139 0.516 0.021 0.518 19974 43 1 8 "Average Difference" N 139 3.151 0.716 3.079 19974 44 1 8 "Average Difference" HA 150 0.347 0.133 0.321 19974 45 1 8 "Average Difference" C 142 1.108 0.268 1.080 19974 46 1 8 "Average Difference" CA 142 1.098 0.219 1.080 19974 47 1 8 "Average Difference" CB 134 1.275 0.245 1.255 19974 48 1 8 "Average Difference" HN 139 0.517 0.020 0.518 19974 49 1 9 "Average Difference" N 139 2.963 0.682 2.894 19974 50 1 9 "Average Difference" HA 150 0.352 0.140 0.324 19974 51 1 9 "Average Difference" C 142 1.088 0.246 1.063 19974 52 1 9 "Average Difference" CA 142 1.099 0.168 1.090 19974 53 1 9 "Average Difference" CB 134 1.214 0.331 1.173 19974 54 1 9 "Average Difference" HN 139 0.558 0.022 0.560 19974 55 1 10 "Average Difference" N 139 3.107 0.785 3.017 19974 56 1 10 "Average Difference" HA 150 0.353 0.138 0.326 19974 57 1 10 "Average Difference" C 142 1.095 0.289 1.060 19974 58 1 10 "Average Difference" CA 142 1.183 0.229 1.165 19974 59 1 10 "Average Difference" CB 134 1.281 0.243 1.263 19974 60 1 10 "Average Difference" HN 139 0.555 0.010 0.557 19974 61 1 11 "Average Difference" N 139 2.709 0.675 2.633 19974 62 1 11 "Average Difference" HA 150 0.332 0.128 0.308 19974 63 1 11 "Average Difference" C 142 1.144 0.286 1.112 19974 64 1 11 "Average Difference" CA 142 1.134 0.227 1.115 19974 65 1 11 "Average Difference" CB 134 1.252 0.295 1.222 19974 66 1 11 "Average Difference" HN 139 0.543 0.035 0.544 19974 67 1 12 "Average Difference" N 139 2.932 0.903 2.800 19974 68 1 12 "Average Difference" HA 150 0.348 0.145 0.317 19974 69 1 12 "Average Difference" C 142 1.076 0.189 1.063 19974 70 1 12 "Average Difference" CA 142 1.054 0.196 1.039 19974 71 1 12 "Average Difference" CB 134 1.255 0.335 1.214 19974 72 1 12 "Average Difference" HN 139 0.520 0.023 0.522 19974 73 1 13 "Average Difference" N 139 2.827 0.752 2.735 19974 74 1 13 "Average Difference" HA 150 0.351 0.124 0.329 19974 75 1 13 "Average Difference" C 142 1.139 0.330 1.094 19974 76 1 13 "Average Difference" CA 142 1.180 0.242 1.159 19974 77 1 13 "Average Difference" CB 134 1.237 0.264 1.213 19974 78 1 13 "Average Difference" HN 139 0.549 0.004 0.551 19974 79 1 14 "Average Difference" N 139 2.827 0.919 2.683 19974 80 1 14 "Average Difference" HA 150 0.358 0.125 0.336 19974 81 1 14 "Average Difference" C 142 1.088 0.250 1.062 19974 82 1 14 "Average Difference" CA 142 1.104 0.218 1.086 19974 83 1 14 "Average Difference" CB 134 1.305 0.254 1.285 19974 84 1 14 "Average Difference" HN 139 0.566 0.001 0.568 19974 85 1 15 "Average Difference" N 139 2.658 0.519 2.617 19974 86 1 15 "Average Difference" HA 150 0.356 0.152 0.323 19974 87 1 15 "Average Difference" C 142 1.085 0.204 1.069 19974 88 1 15 "Average Difference" CA 142 1.034 0.129 1.030 19974 89 1 15 "Average Difference" CB 134 1.256 0.344 1.213 19974 90 1 15 "Average Difference" HN 139 0.538 -0.009 0.540 19974 91 1 16 "Average Difference" N 139 2.950 0.950 2.803 19974 92 1 16 "Average Difference" HA 150 0.336 0.125 0.313 19974 93 1 16 "Average Difference" C 142 1.110 0.203 1.095 19974 94 1 16 "Average Difference" CA 142 1.154 0.236 1.133 19974 95 1 16 "Average Difference" CB 134 1.221 0.256 1.198 19974 96 1 16 "Average Difference" HN 139 0.518 0.040 0.518 19974 97 1 17 "Average Difference" N 139 2.890 0.880 2.763 19974 98 1 17 "Average Difference" HA 150 0.339 0.136 0.312 19974 99 1 17 "Average Difference" C 142 1.120 0.237 1.099 19974 100 1 17 "Average Difference" CA 142 1.096 0.208 1.080 19974 101 1 17 "Average Difference" CB 134 1.248 0.301 1.216 19974 102 1 17 "Average Difference" HN 139 0.529 0.053 0.529 19974 103 1 18 "Average Difference" N 139 2.934 0.868 2.813 19974 104 1 18 "Average Difference" HA 150 0.347 0.124 0.325 19974 105 1 18 "Average Difference" C 142 1.109 0.301 1.071 19974 106 1 18 "Average Difference" CA 142 1.147 0.263 1.120 19974 107 1 18 "Average Difference" CB 134 1.237 0.284 1.208 19974 108 1 18 "Average Difference" HN 139 0.549 0.011 0.551 19974 109 1 19 "Average Difference" N 139 2.765 0.868 2.635 19974 110 1 19 "Average Difference" HA 150 0.349 0.132 0.324 19974 111 1 19 "Average Difference" C 142 1.056 0.237 1.032 19974 112 1 19 "Average Difference" CA 142 1.162 0.192 1.150 19974 113 1 19 "Average Difference" CB 134 1.278 0.297 1.248 19974 114 1 19 "Average Difference" HN 139 0.546 0.012 0.548 19974 115 1 20 "Average Difference" N 139 2.889 0.764 2.796 19974 116 1 20 "Average Difference" HA 150 0.358 0.112 0.342 19974 117 1 20 "Average Difference" C 142 1.042 0.240 1.018 19974 118 1 20 "Average Difference" CA 142 1.161 0.259 1.136 19974 119 1 20 "Average Difference" CB 134 1.224 0.260 1.201 19974 120 1 20 "Average Difference" HN 139 0.545 0.018 0.547 19974 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 19974 _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 3 3 LYS HA H 3 4.317 4.317 4.302 0.015 19974 2 1 . 1 1 3 3 LYS C C 3 176.840 176.840 176.663 0.177 19974 3 1 . 1 1 3 3 LYS CA C 3 56.180 56.180 56.850 -0.670 19974 4 1 . 1 1 3 3 LYS CB C 3 33.030 33.030 32.905 0.125 19974 5 1 . 1 1 4 4 ILE N N 4 122.990 122.990 119.295 3.695 19974 6 1 . 1 1 4 4 ILE HA H 4 3.919 3.919 4.143 -0.224 19974 7 1 . 1 1 4 4 ILE C C 4 176.120 176.120 176.121 -0.001 19974 8 1 . 1 1 4 4 ILE CA C 4 61.530 61.530 62.111 -0.581 19974 9 1 . 1 1 4 4 ILE CB C 4 38.040 38.040 38.838 -0.798 19974 10 1 . 1 1 4 4 ILE H H 4 8.391 8.391 8.172 0.219 19974 11 1 . 1 1 5 5 GLU N N 5 123.430 123.430 121.803 1.627 19974 12 1 . 1 1 5 5 GLU HA H 5 4.116 4.116 4.205 -0.088 19974 13 1 . 1 1 5 5 GLU C C 5 175.830 175.830 176.550 -0.720 19974 14 1 . 1 1 5 5 GLU CA C 5 56.900 56.900 57.291 -0.391 19974 15 1 . 1 1 5 5 GLU CB C 5 29.350 29.350 29.813 -0.463 19974 16 1 . 1 1 5 5 GLU H H 5 8.508 8.508 8.315 0.193 19974 17 1 . 1 1 6 6 GLU N N 6 119.490 119.490 118.717 0.773 19974 18 1 . 1 1 6 6 GLU HA H 6 4.128 4.128 4.299 -0.171 19974 19 1 . 1 1 6 6 GLU C C 6 176.270 176.270 176.088 0.182 19974 20 1 . 1 1 6 6 GLU CA C 6 55.700 55.700 56.189 -0.489 19974 21 1 . 1 1 6 6 GLU CB C 6 30.190 30.190 29.815 0.375 19974 22 1 . 1 1 6 6 GLU H H 6 7.843 7.843 7.921 -0.078 19974 23 1 . 1 1 7 7 PHE N N 7 121.090 121.090 121.450 -0.360 19974 24 1 . 1 1 7 7 PHE HA H 7 4.284 4.284 4.371 -0.087 19974 25 1 . 1 1 7 7 PHE C C 7 174.810 174.810 175.466 -0.656 19974 26 1 . 1 1 7 7 PHE CA C 7 59.660 59.660 59.693 -0.033 19974 27 1 . 1 1 7 7 PHE CB C 7 39.990 39.990 39.737 0.252 19974 28 1 . 1 1 7 7 PHE H H 7 8.092 8.092 8.236 -0.144 19974 29 1 . 1 1 8 8 LEU N N 8 116.700 116.700 117.391 -0.691 19974 30 1 . 1 1 8 8 LEU HA H 8 4.792 4.792 4.808 -0.016 19974 31 1 . 1 1 8 8 LEU C C 8 176.940 176.940 176.190 0.750 19974 32 1 . 1 1 8 8 LEU CA C 8 52.730 52.730 52.866 -0.136 19974 33 1 . 1 1 8 8 LEU CB C 8 45.650 45.650 45.484 0.166 19974 34 1 . 1 1 8 8 LEU H H 8 7.721 7.721 7.648 0.073 19974 35 1 . 1 1 9 9 THR N N 9 113.700 113.700 114.272 -0.572 19974 36 1 . 1 1 9 9 THR HA H 9 4.397 4.397 4.445 -0.048 19974 37 1 . 1 1 9 9 THR C C 9 175.410 175.410 175.971 -0.560 19974 38 1 . 1 1 9 9 THR CA C 9 60.650 60.650 61.031 -0.381 19974 39 1 . 1 1 9 9 THR CB C 9 70.800 70.800 70.843 -0.043 19974 40 1 . 1 1 9 9 THR H H 9 9.224 9.224 8.501 0.723 19974 41 1 . 1 1 10 10 ALA N N 10 123.350 123.350 125.985 -2.635 19974 42 1 . 1 1 10 10 ALA HA H 10 4.036 4.036 4.042 -0.006 19974 43 1 . 1 1 10 10 ALA C C 10 181.050 181.050 179.635 1.415 19974 44 1 . 1 1 10 10 ALA CA C 10 55.500 55.500 55.170 0.330 19974 45 1 . 1 1 10 10 ALA CB C 10 17.914 17.914 18.473 -0.559 19974 46 1 . 1 1 10 10 ALA H H 10 8.881 8.881 8.899 -0.018 19974 47 1 . 1 1 11 11 GLU N N 11 117.680 117.680 118.246 -0.566 19974 48 1 . 1 1 11 11 GLU HA H 11 3.949 3.949 4.023 -0.074 19974 49 1 . 1 1 11 11 GLU C C 11 179.500 179.500 179.077 0.423 19974 50 1 . 1 1 11 11 GLU CA C 11 59.490 59.490 59.457 0.033 19974 51 1 . 1 1 11 11 GLU CB C 11 29.120 29.120 29.348 -0.228 19974 52 1 . 1 1 11 11 GLU H H 11 8.460 8.460 8.525 -0.065 19974 53 1 . 1 1 12 12 GLU N N 12 121.860 121.860 119.507 2.353 19974 54 1 . 1 1 12 12 GLU HA H 12 3.818 3.818 4.096 -0.278 19974 55 1 . 1 1 12 12 GLU C C 12 178.130 178.130 179.090 -0.960 19974 56 1 . 1 1 12 12 GLU CA C 12 59.210 59.210 59.123 0.087 19974 57 1 . 1 1 12 12 GLU CB C 12 30.800 30.800 29.694 1.106 19974 58 1 . 1 1 12 12 GLU H H 12 7.698 7.698 7.808 -0.110 19974 59 1 . 1 1 13 13 GLU N N 13 118.170 118.170 119.719 -1.549 19974 60 1 . 1 1 13 13 GLU HA H 13 3.640 3.640 4.039 -0.399 19974 61 1 . 1 1 13 13 GLU C C 13 178.070 178.070 178.768 -0.698 19974 62 1 . 1 1 13 13 GLU CA C 13 60.539 60.539 59.302 1.237 19974 63 1 . 1 1 13 13 GLU CB C 13 29.130 29.130 29.538 -0.408 19974 64 1 . 1 1 13 13 GLU H H 13 8.493 8.493 8.390 0.103 19974 65 1 . 1 1 14 14 LYS N N 14 117.980 117.980 119.844 -1.864 19974 66 1 . 1 1 14 14 LYS HA H 14 3.887 3.887 4.005 -0.118 19974 67 1 . 1 1 14 14 LYS C C 14 177.420 177.420 178.672 -1.252 19974 68 1 . 1 1 14 14 LYS CA C 14 59.350 59.350 59.431 -0.082 19974 69 1 . 1 1 14 14 LYS CB C 14 32.200 32.200 32.367 -0.167 19974 70 1 . 1 1 14 14 LYS H H 14 7.650 7.650 8.039 -0.389 19974 71 1 . 1 1 15 15 ALA N N 15 119.210 119.210 121.313 -2.103 19974 72 1 . 1 1 15 15 ALA HA H 15 4.098 4.098 4.107 -0.009 19974 73 1 . 1 1 15 15 ALA C C 15 180.550 180.550 179.643 0.907 19974 74 1 . 1 1 15 15 ALA CA C 15 54.600 54.600 54.879 -0.280 19974 75 1 . 1 1 15 15 ALA CB C 15 17.790 17.790 18.410 -0.620 19974 76 1 . 1 1 15 15 ALA H H 15 7.362 7.362 7.581 -0.218 19974 77 1 . 1 1 16 16 ILE N N 16 119.990 119.990 119.223 0.767 19974 78 1 . 1 1 16 16 ILE HA H 16 3.493 3.493 3.716 -0.223 19974 79 1 . 1 1 16 16 ILE C C 16 176.510 176.510 177.561 -1.051 19974 80 1 . 1 1 16 16 ILE CA C 16 65.072 65.072 64.119 0.953 19974 81 1 . 1 1 16 16 ILE CB C 16 37.580 37.580 38.383 -0.803 19974 82 1 . 1 1 16 16 ILE H H 16 7.592 7.592 7.489 0.103 19974 83 1 . 1 1 17 17 VAL N N 17 121.520 121.520 121.401 0.119 19974 84 1 . 1 1 17 17 VAL HA H 17 3.504 3.504 3.551 -0.047 19974 85 1 . 1 1 17 17 VAL C C 17 178.620 178.620 178.009 0.611 19974 86 1 . 1 1 17 17 VAL CA C 17 67.324 67.324 66.834 0.490 19974 87 1 . 1 1 17 17 VAL CB C 17 31.350 31.350 31.599 -0.249 19974 88 1 . 1 1 17 17 VAL H H 17 8.155 8.155 8.300 -0.145 19974 89 1 . 1 1 18 18 ASP N N 18 120.000 120.000 119.312 0.688 19974 90 1 . 1 1 18 18 ASP HA H 18 4.223 4.223 4.378 -0.155 19974 91 1 . 1 1 18 18 ASP C C 18 177.980 177.980 177.844 0.136 19974 92 1 . 1 1 18 18 ASP CA C 18 57.050 57.050 57.199 -0.149 19974 93 1 . 1 1 18 18 ASP CB C 18 39.410 39.410 40.557 -1.147 19974 94 1 . 1 1 18 18 ASP H H 18 8.605 8.605 8.116 0.489 19974 95 1 . 1 1 19 19 ALA N N 19 122.620 122.620 122.183 0.437 19974 96 1 . 1 1 19 19 ALA HA H 19 4.194 4.194 4.088 0.106 19974 97 1 . 1 1 19 19 ALA C C 19 180.720 180.720 179.532 1.188 19974 98 1 . 1 1 19 19 ALA CA C 19 54.970 54.970 54.809 0.161 19974 99 1 . 1 1 19 19 ALA CB C 19 17.850 17.850 18.571 -0.721 19974 100 1 . 1 1 19 19 ALA H H 19 7.702 7.702 7.369 0.333 19974 101 1 . 1 1 20 20 ILE N N 20 122.620 122.620 118.698 3.922 19974 102 1 . 1 1 20 20 ILE HA H 20 3.309 3.309 3.619 -0.310 19974 103 1 . 1 1 20 20 ILE C C 20 176.740 176.740 178.023 -1.283 19974 104 1 . 1 1 20 20 ILE CA C 20 66.830 66.830 64.768 2.062 19974 105 1 . 1 1 20 20 ILE CB C 20 38.140 38.140 37.331 0.808 19974 106 1 . 1 1 20 20 ILE H H 20 8.234 8.234 7.674 0.560 19974 107 1 . 1 1 21 21 ARG N N 21 119.660 119.660 118.968 0.692 19974 108 1 . 1 1 21 21 ARG HA H 21 3.899 3.899 4.121 -0.222 19974 109 1 . 1 1 21 21 ARG C C 21 179.540 179.540 178.323 1.217 19974 110 1 . 1 1 21 21 ARG CA C 21 58.990 58.990 59.383 -0.392 19974 111 1 . 1 1 21 21 ARG CB C 21 29.020 29.020 29.965 -0.945 19974 112 1 . 1 1 21 21 ARG H H 21 8.212 8.212 7.737 0.475 19974 113 1 . 1 1 22 22 ASP N N 22 118.640 118.640 117.822 0.818 19974 114 1 . 1 1 22 22 ASP HA H 22 4.239 4.239 4.542 -0.303 19974 115 1 . 1 1 22 22 ASP C C 22 179.190 179.190 177.445 1.745 19974 116 1 . 1 1 22 22 ASP CA C 22 57.270 57.270 56.104 1.166 19974 117 1 . 1 1 22 22 ASP CB C 22 39.770 39.770 40.735 -0.965 19974 118 1 . 1 1 22 22 ASP H H 22 8.137 8.137 7.720 0.417 19974 119 1 . 1 1 23 23 ALA N N 23 126.120 126.120 123.478 2.642 19974 120 1 . 1 1 23 23 ALA HA H 23 4.207 4.207 4.054 0.153 19974 121 1 . 1 1 23 23 ALA C C 23 181.060 181.060 179.371 1.689 19974 122 1 . 1 1 23 23 ALA CA C 23 55.430 55.430 54.846 0.584 19974 123 1 . 1 1 23 23 ALA CB C 23 18.690 18.690 18.775 -0.085 19974 124 1 . 1 1 23 23 ALA H H 23 8.500 8.500 7.695 0.805 19974 125 1 . 1 1 24 24 GLU N N 24 115.460 115.460 117.076 -1.616 19974 126 1 . 1 1 24 24 GLU HA H 24 4.213 4.213 4.211 0.002 19974 127 1 . 1 1 24 24 GLU C C 24 176.390 176.390 177.463 -1.073 19974 128 1 . 1 1 24 24 GLU CA C 24 58.180 58.180 58.219 -0.039 19974 129 1 . 1 1 24 24 GLU CB C 24 28.200 28.200 29.272 -1.072 19974 130 1 . 1 1 24 24 GLU H H 24 8.451 8.451 8.034 0.417 19974 131 1 . 1 1 25 25 LYS N N 25 115.790 115.790 115.853 -0.063 19974 132 1 . 1 1 25 25 LYS HA H 25 3.739 3.739 4.178 -0.439 19974 133 1 . 1 1 25 25 LYS C C 25 176.020 176.020 175.954 0.066 19974 134 1 . 1 1 25 25 LYS CA C 25 56.220 56.220 56.456 -0.236 19974 135 1 . 1 1 25 25 LYS CB C 25 32.070 32.070 32.121 -0.052 19974 136 1 . 1 1 25 25 LYS H H 25 7.083 7.083 7.441 -0.358 19974 137 1 . 1 1 26 26 ASN N N 26 115.060 115.060 116.559 -1.499 19974 138 1 . 1 1 26 26 ASN HA H 26 4.749 4.749 4.788 -0.039 19974 139 1 . 1 1 26 26 ASN C C 26 174.280 174.280 174.108 0.172 19974 140 1 . 1 1 26 26 ASN CA C 26 53.050 53.050 53.573 -0.523 19974 141 1 . 1 1 26 26 ASN CB C 26 40.410 40.410 41.588 -1.178 19974 142 1 . 1 1 26 26 ASN H H 26 7.931 7.931 8.067 -0.136 19974 143 1 . 1 1 27 27 THR N N 27 113.430 113.430 113.151 0.279 19974 144 1 . 1 1 27 27 THR HA H 27 5.507 5.507 5.019 0.488 19974 145 1 . 1 1 27 27 THR C C 27 170.850 170.850 173.342 -2.492 19974 146 1 . 1 1 27 27 THR CA C 27 57.130 57.130 60.477 -3.347 19974 147 1 . 1 1 27 27 THR CB C 27 70.200 70.200 70.236 -0.036 19974 148 1 . 1 1 27 27 THR H H 27 7.619 7.619 7.706 -0.087 19974 149 1 . 1 1 28 28 SER N N 28 119.450 119.450 120.574 -1.124 19974 150 1 . 1 1 28 28 SER HA H 28 4.773 4.773 4.804 -0.031 19974 151 1 . 1 1 28 28 SER C C 28 176.330 176.330 174.230 2.100 19974 152 1 . 1 1 28 28 SER CA C 28 58.913 58.913 58.324 0.589 19974 153 1 . 1 1 28 28 SER CB C 28 64.360 64.360 63.301 1.059 19974 154 1 . 1 1 28 28 SER H H 28 7.706 7.706 8.724 -1.018 19974 155 1 . 1 1 29 29 GLY N N 29 111.350 111.350 108.704 2.646 19974 156 1 . 1 1 29 29 GLY C C 29 171.210 171.210 173.072 -1.862 19974 157 1 . 1 1 29 29 GLY CA C 29 44.643 44.643 44.375 0.268 19974 158 1 . 1 1 29 29 GLY H H 29 9.011 9.011 7.475 1.536 19974 159 1 . 1 1 30 30 GLU N N 30 120.620 120.620 121.485 -0.865 19974 160 1 . 1 1 30 30 GLU HA H 30 4.867 4.867 4.792 0.075 19974 161 1 . 1 1 30 30 GLU C C 30 174.500 174.500 175.283 -0.783 19974 162 1 . 1 1 30 30 GLU CA C 30 54.320 54.320 55.343 -1.023 19974 163 1 . 1 1 30 30 GLU CB C 30 34.030 34.030 32.299 1.731 19974 164 1 . 1 1 30 30 GLU H H 30 6.897 6.897 8.357 -1.460 19974 165 1 . 1 1 31 31 ILE N N 31 121.650 121.650 124.540 -2.890 19974 166 1 . 1 1 31 31 ILE HA H 31 5.171 5.171 4.585 0.586 19974 167 1 . 1 1 31 31 ILE C C 31 175.550 175.550 174.917 0.633 19974 168 1 . 1 1 31 31 ILE CA C 31 59.740 59.740 60.427 -0.687 19974 169 1 . 1 1 31 31 ILE CB C 31 42.520 42.520 39.701 2.819 19974 170 1 . 1 1 31 31 ILE H H 31 8.546 8.546 8.664 -0.118 19974 171 1 . 1 1 32 32 ARG N N 32 121.690 121.690 125.733 -4.043 19974 172 1 . 1 1 32 32 ARG HA H 32 4.951 4.951 4.778 0.173 19974 173 1 . 1 1 32 32 ARG C C 32 173.740 173.740 174.035 -0.295 19974 174 1 . 1 1 32 32 ARG CA C 32 55.220 55.220 54.335 0.885 19974 175 1 . 1 1 32 32 ARG CB C 32 34.720 34.720 34.738 -0.018 19974 176 1 . 1 1 32 32 ARG H H 32 8.751 8.751 8.837 -0.086 19974 177 1 . 1 1 33 33 VAL N N 33 120.770 120.770 121.934 -1.164 19974 178 1 . 1 1 33 33 VAL HA H 33 4.972 4.972 4.610 0.362 19974 179 1 . 1 1 33 33 VAL C C 33 173.790 173.790 173.807 -0.017 19974 180 1 . 1 1 33 33 VAL CA C 33 59.700 59.700 60.923 -1.223 19974 181 1 . 1 1 33 33 VAL CB C 33 34.820 34.820 34.433 0.387 19974 182 1 . 1 1 33 33 VAL H H 33 8.617 8.617 8.780 -0.163 19974 183 1 . 1 1 34 34 HIS N N 34 125.000 125.000 126.817 -1.817 19974 184 1 . 1 1 34 34 HIS HA H 34 5.743 5.743 5.297 0.446 19974 185 1 . 1 1 34 34 HIS C C 34 172.790 172.790 173.016 -0.226 19974 186 1 . 1 1 34 34 HIS CA C 34 54.370 54.370 54.013 0.357 19974 187 1 . 1 1 34 34 HIS CB C 34 36.840 36.840 32.739 4.101 19974 188 1 . 1 1 34 34 HIS H H 34 8.552 8.552 9.140 -0.588 19974 189 1 . 1 1 35 35 LEU N N 35 124.400 124.400 128.159 -3.759 19974 190 1 . 1 1 35 35 LEU HA H 35 4.800 4.800 4.760 0.040 19974 191 1 . 1 1 35 35 LEU C C 35 174.490 174.490 174.128 0.362 19974 192 1 . 1 1 35 35 LEU CA C 35 52.190 52.190 53.824 -1.634 19974 193 1 . 1 1 35 35 LEU CB C 35 44.880 44.880 45.092 -0.212 19974 194 1 . 1 1 35 35 LEU H H 35 8.006 8.006 8.235 -0.229 19974 195 1 . 1 1 36 36 GLU N N 36 116.112 116.112 124.614 -8.502 19974 196 1 . 1 1 36 36 GLU HA H 36 4.573 4.573 4.568 0.005 19974 197 1 . 1 1 36 36 GLU C C 36 174.350 174.350 175.431 -1.081 19974 198 1 . 1 1 36 36 GLU CA C 36 54.130 54.130 54.952 -0.822 19974 199 1 . 1 1 36 36 GLU CB C 36 31.960 31.960 33.366 -1.406 19974 200 1 . 1 1 36 36 GLU H H 36 8.235 8.235 8.447 -0.212 19974 201 1 . 1 1 37 37 LYS N N 37 121.210 121.210 121.030 0.180 19974 202 1 . 1 1 37 37 LYS HA H 37 3.731 3.731 4.133 -0.401 19974 203 1 . 1 1 37 37 LYS C C 37 175.200 175.200 176.520 -1.320 19974 204 1 . 1 1 37 37 LYS CA C 37 61.410 61.410 59.372 2.038 19974 205 1 . 1 1 37 37 LYS CB C 37 33.090 33.090 33.145 -0.055 19974 206 1 . 1 1 37 37 LYS H H 37 9.055 9.055 8.583 0.472 19974 207 1 . 1 1 38 38 THR N N 38 107.310 107.310 110.460 -3.150 19974 208 1 . 1 1 38 38 THR HA H 38 4.448 4.448 4.592 -0.144 19974 209 1 . 1 1 38 38 THR C C 38 171.420 171.420 173.034 -1.614 19974 210 1 . 1 1 38 38 THR CA C 38 59.530 59.530 60.637 -1.107 19974 211 1 . 1 1 38 38 THR CB C 38 69.570 69.570 70.178 -0.608 19974 212 1 . 1 1 38 38 THR H H 38 7.480 7.480 7.804 -0.324 19974 213 1 . 1 1 39 39 SER N N 39 116.050 116.050 119.703 -3.653 19974 214 1 . 1 1 39 39 SER HA H 39 4.641 4.641 4.790 -0.149 19974 215 1 . 1 1 39 39 SER C C 39 175.590 175.590 174.643 0.947 19974 216 1 . 1 1 39 39 SER CA C 39 57.340 57.340 57.714 -0.374 19974 217 1 . 1 1 39 39 SER CB C 39 64.560 64.560 64.761 -0.201 19974 218 1 . 1 1 39 39 SER H H 39 8.177 8.177 8.599 -0.422 19974 219 1 . 1 1 40 40 GLU N N 40 124.630 124.630 122.337 2.293 19974 220 1 . 1 1 40 40 GLU HA H 40 4.118 4.118 4.331 -0.213 19974 221 1 . 1 1 40 40 GLU C C 40 176.520 176.520 176.401 0.119 19974 222 1 . 1 1 40 40 GLU CA C 40 58.100 58.100 57.452 0.648 19974 223 1 . 1 1 40 40 GLU CB C 40 29.950 29.950 30.019 -0.069 19974 224 1 . 1 1 40 40 GLU H H 40 8.905 8.905 8.741 0.164 19974 225 1 . 1 1 41 41 ILE N N 41 113.290 113.290 114.351 -1.061 19974 226 1 . 1 1 41 41 ILE HA H 41 4.460 4.460 4.369 0.091 19974 227 1 . 1 1 41 41 ILE C C 41 175.350 175.350 174.885 0.465 19974 228 1 . 1 1 41 41 ILE CA C 41 59.490 59.490 59.187 0.303 19974 229 1 . 1 1 41 41 ILE CB C 41 40.150 40.150 39.878 0.273 19974 230 1 . 1 1 41 41 ILE H H 41 7.446 7.446 7.387 0.059 19974 231 1 . 1 1 42 42 ASP N N 42 122.230 122.230 121.758 0.472 19974 232 1 . 1 1 42 42 ASP HA H 42 4.280 4.280 4.772 -0.491 19974 233 1 . 1 1 42 42 ASP C C 42 177.430 177.430 177.214 0.216 19974 234 1 . 1 1 42 42 ASP CA C 42 55.360 55.360 54.129 1.231 19974 235 1 . 1 1 42 42 ASP CB C 42 42.690 42.690 41.670 1.020 19974 236 1 . 1 1 42 42 ASP H H 42 8.271 8.271 8.422 -0.151 19974 237 1 . 1 1 43 43 VAL N N 43 122.150 122.150 123.844 -1.694 19974 238 1 . 1 1 43 43 VAL HA H 43 3.569 3.569 3.507 0.062 19974 239 1 . 1 1 43 43 VAL C C 43 175.780 175.780 177.512 -1.732 19974 240 1 . 1 1 43 43 VAL CA C 43 65.420 65.420 65.641 -0.221 19974 241 1 . 1 1 43 43 VAL CB C 43 31.300 31.300 32.051 -0.751 19974 242 1 . 1 1 43 43 VAL H H 43 8.160 8.160 8.634 -0.474 19974 243 1 . 1 1 44 44 PHE N N 44 121.770 121.770 120.464 1.306 19974 244 1 . 1 1 44 44 PHE HA H 44 3.892 3.892 4.067 -0.175 19974 245 1 . 1 1 44 44 PHE C C 44 177.140 177.140 176.496 0.644 19974 246 1 . 1 1 44 44 PHE CA C 44 62.190 62.190 61.502 0.688 19974 247 1 . 1 1 44 44 PHE CB C 44 38.350 38.350 38.339 0.011 19974 248 1 . 1 1 44 44 PHE H H 44 8.101 8.101 8.167 -0.066 19974 249 1 . 1 1 45 45 ASP N N 45 119.540 119.540 118.877 0.663 19974 250 1 . 1 1 45 45 ASP HA H 45 4.106 4.106 4.105 0.001 19974 251 1 . 1 1 45 45 ASP C C 45 178.380 178.380 178.525 -0.145 19974 252 1 . 1 1 45 45 ASP CA C 45 57.010 57.010 57.562 -0.552 19974 253 1 . 1 1 45 45 ASP CB C 45 37.900 37.900 40.193 -2.293 19974 254 1 . 1 1 45 45 ASP H H 45 7.317 7.317 8.276 -0.959 19974 255 1 . 1 1 46 46 ARG N N 46 119.920 119.920 120.381 -0.461 19974 256 1 . 1 1 46 46 ARG HA H 46 3.733 3.733 3.838 -0.105 19974 257 1 . 1 1 46 46 ARG C C 46 176.750 176.750 178.055 -1.305 19974 258 1 . 1 1 46 46 ARG CA C 46 57.136 57.136 59.156 -2.020 19974 259 1 . 1 1 46 46 ARG CB C 46 28.590 28.590 30.049 -1.459 19974 260 1 . 1 1 46 46 ARG H H 46 8.246 8.246 8.090 0.156 19974 261 1 . 1 1 47 47 ALA N N 47 120.910 120.910 121.709 -0.799 19974 262 1 . 1 1 47 47 ALA HA H 47 3.048 3.048 3.766 -0.718 19974 263 1 . 1 1 47 47 ALA C C 47 177.810 177.810 179.109 -1.299 19974 264 1 . 1 1 47 47 ALA CA C 47 55.010 55.010 54.876 0.134 19974 265 1 . 1 1 47 47 ALA CB C 47 17.400 17.400 18.002 -0.602 19974 266 1 . 1 1 47 47 ALA H H 47 7.803 7.803 7.970 -0.167 19974 267 1 . 1 1 48 48 MET N N 48 115.800 115.800 118.502 -2.702 19974 268 1 . 1 1 48 48 MET HA H 48 2.568 2.568 3.556 -0.988 19974 269 1 . 1 1 48 48 MET C C 48 177.790 177.790 177.655 0.135 19974 270 1 . 1 1 48 48 MET CA C 48 58.910 58.910 59.114 -0.204 19974 271 1 . 1 1 48 48 MET CB C 48 32.750 32.750 32.143 0.607 19974 272 1 . 1 1 48 48 MET H H 48 7.148 7.148 7.615 -0.467 19974 273 1 . 1 1 49 49 ASP N N 49 121.130 121.130 119.903 1.227 19974 274 1 . 1 1 49 49 ASP HA H 49 4.326 4.326 4.304 0.022 19974 275 1 . 1 1 49 49 ASP C C 49 178.960 178.960 178.910 0.050 19974 276 1 . 1 1 49 49 ASP CA C 49 57.330 57.330 57.655 -0.325 19974 277 1 . 1 1 49 49 ASP CB C 49 40.180 40.180 40.745 -0.565 19974 278 1 . 1 1 49 49 ASP H H 49 7.656 7.656 8.032 -0.376 19974 279 1 . 1 1 50 50 VAL N N 50 122.030 122.030 120.089 1.941 19974 280 1 . 1 1 50 50 VAL HA H 50 3.150 3.150 3.569 -0.420 19974 281 1 . 1 1 50 50 VAL C C 50 176.610 176.610 177.787 -1.177 19974 282 1 . 1 1 50 50 VAL CA C 50 66.980 66.980 66.367 0.613 19974 283 1 . 1 1 50 50 VAL CB C 50 30.450 30.450 31.678 -1.228 19974 284 1 . 1 1 50 50 VAL H H 50 8.506 8.506 8.258 0.248 19974 285 1 . 1 1 51 51 PHE N N 51 120.010 120.010 120.799 -0.789 19974 286 1 . 1 1 51 51 PHE HA H 51 3.701 3.701 4.148 -0.447 19974 287 1 . 1 1 51 51 PHE C C 51 176.990 176.990 177.139 -0.149 19974 288 1 . 1 1 51 51 PHE CA C 51 61.610 61.610 61.540 0.070 19974 289 1 . 1 1 51 51 PHE CB C 51 39.350 39.350 39.246 0.104 19974 290 1 . 1 1 51 51 PHE H H 51 8.236 8.236 8.305 -0.069 19974 291 1 . 1 1 52 52 HIS N N 52 114.400 114.400 117.070 -2.670 19974 292 1 . 1 1 52 52 HIS HA H 52 4.322 4.322 4.513 -0.191 19974 293 1 . 1 1 52 52 HIS C C 52 179.389 179.389 178.206 1.183 19974 294 1 . 1 1 52 52 HIS CA C 52 59.670 59.670 59.457 0.213 19974 295 1 . 1 1 52 52 HIS CB C 52 28.380 28.380 30.013 -1.633 19974 296 1 . 1 1 52 52 HIS H H 52 7.595 7.595 8.356 -0.760 19974 297 1 . 1 1 53 53 ASN N N 53 125.300 125.300 119.038 6.262 19974 298 1 . 1 1 53 53 ASN HA H 53 4.346 4.346 4.561 -0.215 19974 299 1 . 1 1 53 53 ASN C C 53 177.560 177.560 177.050 0.510 19974 300 1 . 1 1 53 53 ASN CA C 53 56.260 56.260 55.494 0.766 19974 301 1 . 1 1 53 53 ASN CB C 53 38.020 38.020 38.407 -0.387 19974 302 1 . 1 1 53 53 ASN H H 53 9.216 9.216 8.494 0.722 19974 303 1 . 1 1 54 54 LEU N N 54 117.070 117.070 117.832 -0.762 19974 304 1 . 1 1 54 54 LEU HA H 54 4.114 4.114 4.273 -0.159 19974 305 1 . 1 1 54 54 LEU C C 54 175.780 175.780 175.947 -0.167 19974 306 1 . 1 1 54 54 LEU CA C 54 54.400 54.400 55.101 -0.701 19974 307 1 . 1 1 54 54 LEU CB C 54 42.810 42.810 42.033 0.777 19974 308 1 . 1 1 54 54 LEU H H 54 8.270 8.270 7.814 0.456 19974 309 1 . 1 1 55 55 LYS N N 55 116.580 116.580 115.218 1.362 19974 310 1 . 1 1 55 55 LYS HA H 55 3.954 3.954 3.910 0.044 19974 311 1 . 1 1 55 55 LYS C C 55 177.650 177.650 177.324 0.326 19974 312 1 . 1 1 55 55 LYS CA C 55 56.630 56.630 57.210 -0.580 19974 313 1 . 1 1 55 55 LYS CB C 55 28.110 28.110 29.911 -1.801 19974 314 1 . 1 1 55 55 LYS H H 55 7.953 7.953 7.482 0.471 19974 315 1 . 1 1 56 56 MET N N 56 114.460 114.460 116.634 -2.174 19974 316 1 . 1 1 56 56 MET HA H 56 3.624 3.624 3.998 -0.374 19974 317 1 . 1 1 56 56 MET C C 56 174.010 174.010 176.736 -2.726 19974 318 1 . 1 1 56 56 MET CA C 56 56.800 56.800 58.544 -1.744 19974 319 1 . 1 1 56 56 MET CB C 56 28.620 28.620 31.739 -3.119 19974 320 1 . 1 1 56 56 MET H H 56 7.496 7.496 7.516 -0.020 19974 321 1 . 1 1 57 57 ASP N N 57 113.610 113.610 117.855 -4.245 19974 322 1 . 1 1 57 57 ASP HA H 57 4.490 4.490 4.671 -0.181 19974 323 1 . 1 1 57 57 ASP C C 57 176.060 176.060 176.985 -0.925 19974 324 1 . 1 1 57 57 ASP CA C 57 53.030 53.030 55.436 -2.406 19974 325 1 . 1 1 57 57 ASP CB C 57 38.940 38.940 40.088 -1.148 19974 326 1 . 1 1 57 57 ASP H H 57 8.921 8.921 8.254 0.667 19974 327 1 . 1 1 58 58 ASN N N 58 119.880 119.880 118.985 0.895 19974 328 1 . 1 1 58 58 ASN HA H 58 4.885 4.885 4.654 0.231 19974 329 1 . 1 1 58 58 ASN C C 58 174.060 174.060 174.503 -0.443 19974 330 1 . 1 1 58 58 ASN CA C 58 52.190 52.190 53.058 -0.868 19974 331 1 . 1 1 58 58 ASN CB C 58 37.230 37.230 37.662 -0.432 19974 332 1 . 1 1 58 58 ASN H H 58 7.070 7.070 7.592 -0.522 19974 333 1 . 1 1 59 59 THR N N 59 108.570 108.570 112.673 -4.103 19974 334 1 . 1 1 59 59 THR HA H 59 4.449 4.449 4.639 -0.190 19974 335 1 . 1 1 59 59 THR C C 59 175.810 175.810 174.901 0.909 19974 336 1 . 1 1 59 59 THR CA C 59 59.600 59.600 60.288 -0.688 19974 337 1 . 1 1 59 59 THR CB C 59 70.900 70.900 71.575 -0.675 19974 338 1 . 1 1 59 59 THR H H 59 7.636 7.636 7.718 -0.082 19974 339 1 . 1 1 60 60 LYS N N 60 126.400 126.400 125.411 0.989 19974 340 1 . 1 1 60 60 LYS HA H 60 3.923 3.923 4.131 -0.208 19974 341 1 . 1 1 60 60 LYS C C 60 179.030 179.030 177.056 1.974 19974 342 1 . 1 1 60 60 LYS CA C 60 59.600 59.600 58.939 0.661 19974 343 1 . 1 1 60 60 LYS CB C 60 32.480 32.480 32.425 0.055 19974 344 1 . 1 1 60 60 LYS H H 60 10.322 10.322 8.993 1.328 19974 345 1 . 1 1 61 61 LEU N N 61 114.780 114.780 117.027 -2.247 19974 346 1 . 1 1 61 61 LEU HA H 61 4.430 4.430 4.453 -0.023 19974 347 1 . 1 1 61 61 LEU C C 61 175.660 175.660 175.956 -0.296 19974 348 1 . 1 1 61 61 LEU CA C 61 52.830 52.830 54.141 -1.311 19974 349 1 . 1 1 61 61 LEU CB C 61 40.470 40.470 42.263 -1.793 19974 350 1 . 1 1 61 61 LEU H H 61 8.555 8.555 7.804 0.751 19974 351 1 . 1 1 62 62 GLN N N 62 116.490 116.490 114.641 1.849 19974 352 1 . 1 1 62 62 GLN HA H 62 3.715 3.715 3.973 -0.258 19974 353 1 . 1 1 62 62 GLN C C 62 175.060 175.060 174.665 0.395 19974 354 1 . 1 1 62 62 GLN CA C 62 56.440 56.440 56.589 -0.149 19974 355 1 . 1 1 62 62 GLN CB C 62 26.480 26.480 26.254 0.226 19974 356 1 . 1 1 62 62 GLN H H 62 7.526 7.526 7.798 -0.272 19974 357 1 . 1 1 63 63 ASN N N 63 114.760 114.760 115.045 -0.285 19974 358 1 . 1 1 63 63 ASN HA H 63 4.352 4.352 4.852 -0.500 19974 359 1 . 1 1 63 63 ASN C C 63 173.790 173.790 174.918 -1.128 19974 360 1 . 1 1 63 63 ASN CA C 63 50.680 50.680 52.191 -1.511 19974 361 1 . 1 1 63 63 ASN CB C 63 35.110 35.110 39.097 -3.987 19974 362 1 . 1 1 63 63 ASN H H 63 8.243 8.243 7.957 0.286 19974 363 1 . 1 1 64 64 GLY N N 64 105.820 105.820 108.212 -2.392 19974 364 1 . 1 1 64 64 GLY C C 64 172.650 172.650 172.865 -0.214 19974 365 1 . 1 1 64 64 GLY CA C 64 44.136 44.136 44.841 -0.705 19974 366 1 . 1 1 64 64 GLY H H 64 8.618 8.618 8.005 0.613 19974 367 1 . 1 1 65 65 VAL N N 65 120.490 120.490 125.314 -4.824 19974 368 1 . 1 1 65 65 VAL HA H 65 4.814 4.814 4.702 0.112 19974 369 1 . 1 1 65 65 VAL C C 65 172.610 172.610 174.246 -1.636 19974 370 1 . 1 1 65 65 VAL CA C 65 60.890 60.890 61.480 -0.590 19974 371 1 . 1 1 65 65 VAL CB C 65 35.570 35.570 34.603 0.967 19974 372 1 . 1 1 65 65 VAL H H 65 9.053 9.053 9.217 -0.164 19974 373 1 . 1 1 66 66 LEU N N 66 127.740 127.740 128.609 -0.869 19974 374 1 . 1 1 66 66 LEU HA H 66 5.097 5.097 5.356 -0.259 19974 375 1 . 1 1 66 66 LEU C C 66 175.120 175.120 174.958 0.162 19974 376 1 . 1 1 66 66 LEU CA C 66 51.870 51.870 53.375 -1.505 19974 377 1 . 1 1 66 66 LEU CB C 66 47.520 47.520 46.302 1.218 19974 378 1 . 1 1 66 66 LEU H H 66 9.245 9.245 9.260 -0.015 19974 379 1 . 1 1 67 67 ILE N N 67 126.030 126.030 127.776 -1.746 19974 380 1 . 1 1 67 67 ILE HA H 67 4.484 4.484 4.715 -0.231 19974 381 1 . 1 1 67 67 ILE C C 67 173.290 173.290 174.965 -1.675 19974 382 1 . 1 1 67 67 ILE CA C 67 61.090 61.090 60.501 0.589 19974 383 1 . 1 1 67 67 ILE CB C 67 37.480 37.480 37.873 -0.394 19974 384 1 . 1 1 67 67 ILE H H 67 8.974 8.974 9.034 -0.060 19974 385 1 . 1 1 68 68 TYR N N 68 129.400 129.400 130.246 -0.846 19974 386 1 . 1 1 68 68 TYR HA H 68 4.887 4.887 5.127 -0.240 19974 387 1 . 1 1 68 68 TYR C C 68 174.140 174.140 174.038 0.102 19974 388 1 . 1 1 68 68 TYR CA C 68 56.990 56.990 57.771 -0.781 19974 389 1 . 1 1 68 68 TYR CB C 68 40.790 40.790 39.477 1.313 19974 390 1 . 1 1 68 68 TYR H H 68 8.999 8.999 8.776 0.223 19974 391 1 . 1 1 69 69 VAL N N 69 126.790 126.790 128.477 -1.687 19974 392 1 . 1 1 69 69 VAL HA H 69 4.401 4.401 4.637 -0.235 19974 393 1 . 1 1 69 69 VAL C C 69 172.350 172.350 173.622 -1.272 19974 394 1 . 1 1 69 69 VAL CA C 69 60.810 60.810 60.532 0.278 19974 395 1 . 1 1 69 69 VAL CB C 69 34.360 34.360 35.225 -0.865 19974 396 1 . 1 1 69 69 VAL H H 69 8.378 8.378 8.720 -0.342 19974 397 1 . 1 1 70 70 ALA N N 70 129.770 129.770 129.775 -0.005 19974 398 1 . 1 1 70 70 ALA HA H 70 4.592 4.592 5.151 -0.559 19974 399 1 . 1 1 70 70 ALA C C 70 177.620 177.620 177.973 -0.353 19974 400 1 . 1 1 70 70 ALA CA C 70 49.210 49.210 49.967 -0.757 19974 401 1 . 1 1 70 70 ALA CB C 70 17.470 17.470 19.450 -1.980 19974 402 1 . 1 1 70 70 ALA H H 70 8.078 8.078 8.797 -0.719 19974 403 1 . 1 1 71 71 VAL N N 71 120.880 120.880 120.254 0.626 19974 404 1 . 1 1 71 71 VAL HA H 71 2.847 2.847 3.639 -0.792 19974 405 1 . 1 1 71 71 VAL C C 71 178.310 178.310 176.653 1.657 19974 406 1 . 1 1 71 71 VAL CA C 71 66.030 66.030 64.738 1.292 19974 407 1 . 1 1 71 71 VAL CB C 71 32.110 32.110 31.383 0.728 19974 408 1 . 1 1 71 71 VAL H H 71 8.597 8.597 8.550 0.047 19974 409 1 . 1 1 72 72 GLU N N 72 119.350 119.350 120.875 -1.525 19974 410 1 . 1 1 72 72 GLU HA H 72 3.955 3.955 4.241 -0.286 19974 411 1 . 1 1 72 72 GLU C C 72 177.650 177.650 177.890 -0.240 19974 412 1 . 1 1 72 72 GLU CA C 72 59.260 59.260 58.552 0.708 19974 413 1 . 1 1 72 72 GLU CB C 72 28.940 28.940 29.745 -0.805 19974 414 1 . 1 1 72 72 GLU H H 72 9.107 9.107 7.994 1.113 19974 415 1 . 1 1 73 73 ASP N N 73 115.250 115.250 117.483 -2.233 19974 416 1 . 1 1 73 73 ASP HA H 73 4.544 4.544 4.708 -0.164 19974 417 1 . 1 1 73 73 ASP C C 73 175.460 175.460 176.086 -0.626 19974 418 1 . 1 1 73 73 ASP CA C 73 54.030 54.030 54.107 -0.077 19974 419 1 . 1 1 73 73 ASP CB C 73 41.350 41.350 41.284 0.066 19974 420 1 . 1 1 73 73 ASP H H 73 7.039 7.039 7.996 -0.957 19974 421 1 . 1 1 74 74 LYS N N 74 115.850 115.850 117.647 -1.797 19974 422 1 . 1 1 74 74 LYS HA H 74 3.502 3.502 3.990 -0.488 19974 423 1 . 1 1 74 74 LYS C C 74 174.920 174.920 175.424 -0.504 19974 424 1 . 1 1 74 74 LYS CA C 74 57.180 57.180 57.499 -0.319 19974 425 1 . 1 1 74 74 LYS CB C 74 29.100 29.100 30.913 -1.813 19974 426 1 . 1 1 74 74 LYS H H 74 8.012 8.012 8.079 -0.067 19974 427 1 . 1 1 75 75 THR N N 75 111.710 111.710 111.476 0.234 19974 428 1 . 1 1 75 75 THR HA H 75 4.725 4.725 4.808 -0.083 19974 429 1 . 1 1 75 75 THR C C 75 172.150 172.150 173.069 -0.919 19974 430 1 . 1 1 75 75 THR CA C 75 60.740 60.740 60.525 0.215 19974 431 1 . 1 1 75 75 THR CB C 75 70.900 70.900 70.873 0.027 19974 432 1 . 1 1 75 75 THR H H 75 7.763 7.763 7.709 0.054 19974 433 1 . 1 1 76 76 PHE N N 76 117.220 117.220 120.076 -2.856 19974 434 1 . 1 1 76 76 PHE HA H 76 5.968 5.968 5.551 0.416 19974 435 1 . 1 1 76 76 PHE C C 76 173.250 173.250 173.633 -0.383 19974 436 1 . 1 1 76 76 PHE CA C 76 54.920 54.920 55.744 -0.824 19974 437 1 . 1 1 76 76 PHE CB C 76 42.780 42.780 41.346 1.434 19974 438 1 . 1 1 76 76 PHE H H 76 7.992 7.992 8.074 -0.082 19974 439 1 . 1 1 77 77 VAL N N 77 120.030 120.030 121.700 -1.670 19974 440 1 . 1 1 77 77 VAL HA H 77 4.015 4.015 4.485 -0.470 19974 441 1 . 1 1 77 77 VAL C C 77 173.310 173.310 174.517 -1.208 19974 442 1 . 1 1 77 77 VAL CA C 77 60.840 60.840 60.900 -0.060 19974 443 1 . 1 1 77 77 VAL CB C 77 37.410 37.410 35.996 1.415 19974 444 1 . 1 1 77 77 VAL H H 77 9.447 9.447 9.225 0.222 19974 445 1 . 1 1 78 78 ILE N N 78 125.240 125.240 124.147 1.093 19974 446 1 . 1 1 78 78 ILE HA H 78 4.433 4.433 4.964 -0.531 19974 447 1 . 1 1 78 78 ILE C C 78 174.090 174.090 175.067 -0.977 19974 448 1 . 1 1 78 78 ILE CA C 78 60.081 60.081 60.231 -0.150 19974 449 1 . 1 1 78 78 ILE CB C 78 38.340 38.340 40.048 -1.708 19974 450 1 . 1 1 78 78 ILE H H 78 8.155 8.155 8.377 -0.222 19974 451 1 . 1 1 79 79 TYR N N 79 130.130 130.130 128.197 1.933 19974 452 1 . 1 1 79 79 TYR HA H 79 4.422 4.422 4.972 -0.550 19974 453 1 . 1 1 79 79 TYR C C 79 172.740 172.740 173.661 -0.921 19974 454 1 . 1 1 79 79 TYR CA C 79 57.390 57.390 57.187 0.203 19974 455 1 . 1 1 79 79 TYR CB C 79 40.820 40.820 42.736 -1.916 19974 456 1 . 1 1 79 79 TYR H H 79 9.328 9.328 9.237 0.091 19974 457 1 . 1 1 80 80 GLY N N 80 114.140 114.140 112.860 1.280 19974 458 1 . 1 1 80 80 GLY C C 80 171.090 171.090 172.732 -1.642 19974 459 1 . 1 1 80 80 GLY CA C 80 42.860 42.860 43.573 -0.713 19974 460 1 . 1 1 80 80 GLY H H 80 7.837 7.837 7.850 -0.013 19974 461 1 . 1 1 81 81 ASP N N 81 115.660 115.660 121.067 -5.407 19974 462 1 . 1 1 81 81 ASP HA H 81 4.248 4.248 4.427 -0.179 19974 463 1 . 1 1 81 81 ASP C C 81 176.980 176.980 177.803 -0.823 19974 464 1 . 1 1 81 81 ASP CA C 81 51.950 51.950 53.743 -1.793 19974 465 1 . 1 1 81 81 ASP CB C 81 41.260 41.260 42.897 -1.637 19974 466 1 . 1 1 81 81 ASP H H 81 7.633 7.633 8.505 -0.872 19974 467 1 . 1 1 82 82 LYS N N 82 120.470 120.470 122.108 -1.638 19974 468 1 . 1 1 82 82 LYS HA H 82 3.764 3.764 3.930 -0.166 19974 469 1 . 1 1 82 82 LYS C C 82 176.350 176.350 178.648 -2.298 19974 470 1 . 1 1 82 82 LYS CA C 82 59.290 59.290 59.730 -0.440 19974 471 1 . 1 1 82 82 LYS CB C 82 33.720 33.720 32.434 1.286 19974 472 1 . 1 1 82 82 LYS H H 82 9.212 9.212 8.712 0.500 19974 473 1 . 1 1 83 83 GLY N N 83 105.260 105.260 106.887 -1.627 19974 474 1 . 1 1 83 83 GLY C C 83 176.540 176.540 175.792 0.748 19974 475 1 . 1 1 83 83 GLY CA C 83 46.260 46.260 46.874 -0.614 19974 476 1 . 1 1 83 83 GLY H H 83 8.367 8.367 8.084 0.283 19974 477 1 . 1 1 84 84 ILE N N 84 117.510 117.510 122.428 -4.918 19974 478 1 . 1 1 84 84 ILE HA H 84 3.644 3.644 3.702 -0.058 19974 479 1 . 1 1 84 84 ILE C C 84 177.010 177.010 177.616 -0.606 19974 480 1 . 1 1 84 84 ILE CA C 84 63.636 63.636 65.123 -1.487 19974 481 1 . 1 1 84 84 ILE CB C 84 38.820 38.820 38.069 0.751 19974 482 1 . 1 1 84 84 ILE H H 84 7.040 7.040 7.480 -0.440 19974 483 1 . 1 1 85 85 ASN N N 85 117.400 117.400 117.480 -0.080 19974 484 1 . 1 1 85 85 ASN HA H 85 4.115 4.115 4.369 -0.254 19974 485 1 . 1 1 85 85 ASN C C 85 176.600 176.600 176.745 -0.145 19974 486 1 . 1 1 85 85 ASN CA C 85 55.840 55.840 55.819 0.021 19974 487 1 . 1 1 85 85 ASN CB C 85 37.720 37.720 38.061 -0.341 19974 488 1 . 1 1 85 85 ASN H H 85 7.351 7.351 7.853 -0.502 19974 489 1 . 1 1 86 86 ASP N N 86 115.890 115.890 118.311 -2.421 19974 490 1 . 1 1 86 86 ASP HA H 86 4.391 4.391 4.615 -0.224 19974 491 1 . 1 1 86 86 ASP C C 86 177.240 177.240 177.412 -0.172 19974 492 1 . 1 1 86 86 ASP CA C 86 56.260 56.260 55.981 0.279 19974 493 1 . 1 1 86 86 ASP CB C 86 41.200 41.200 41.268 -0.068 19974 494 1 . 1 1 86 86 ASP H H 86 8.377 8.377 8.188 0.189 19974 495 1 . 1 1 87 87 VAL N N 87 109.640 109.640 116.104 -6.464 19974 496 1 . 1 1 87 87 VAL HA H 87 4.473 4.473 4.248 0.225 19974 497 1 . 1 1 87 87 VAL C C 87 175.780 175.780 175.574 0.206 19974 498 1 . 1 1 87 87 VAL CA C 87 61.320 61.320 62.763 -1.442 19974 499 1 . 1 1 87 87 VAL CB C 87 34.170 34.170 33.562 0.608 19974 500 1 . 1 1 87 87 VAL H H 87 7.196 7.196 7.616 -0.420 19974 501 1 . 1 1 88 88 VAL N N 88 113.200 113.200 113.436 -0.236 19974 502 1 . 1 1 88 88 VAL HA H 88 3.789 3.789 4.195 -0.406 19974 503 1 . 1 1 88 88 VAL C C 88 175.760 175.760 174.401 1.359 19974 504 1 . 1 1 88 88 VAL CA C 88 60.640 60.640 59.497 1.143 19974 505 1 . 1 1 88 88 VAL CB C 88 32.970 32.970 33.699 -0.729 19974 506 1 . 1 1 88 88 VAL H H 88 6.921 6.921 7.782 -0.862 19974 507 1 . 1 1 89 89 SER N N 89 114.460 114.460 115.258 -0.798 19974 508 1 . 1 1 89 89 SER HA H 89 4.546 4.546 4.754 -0.208 19974 509 1 . 1 1 89 89 SER C C 89 175.720 175.720 175.042 0.678 19974 510 1 . 1 1 89 89 SER CA C 89 57.330 57.330 56.671 0.659 19974 511 1 . 1 1 89 89 SER CB C 89 64.500 64.500 65.977 -1.477 19974 512 1 . 1 1 89 89 SER H H 89 7.738 7.738 8.312 -0.574 19974 513 1 . 1 1 90 90 ASP N N 90 120.250 120.250 121.782 -1.532 19974 514 1 . 1 1 90 90 ASP HA H 90 4.361 4.361 4.437 -0.076 19974 515 1 . 1 1 90 90 ASP C C 90 176.630 176.630 177.986 -1.356 19974 516 1 . 1 1 90 90 ASP CA C 90 57.050 57.050 57.300 -0.250 19974 517 1 . 1 1 90 90 ASP CB C 90 40.540 40.540 40.562 -0.022 19974 518 1 . 1 1 90 90 ASP H H 90 8.687 8.687 8.879 -0.192 19974 519 1 . 1 1 91 91 ASP N N 91 116.800 116.800 118.450 -1.650 19974 520 1 . 1 1 91 91 ASP HA H 91 4.605 4.605 4.579 0.026 19974 521 1 . 1 1 91 91 ASP C C 91 177.610 177.610 178.034 -0.424 19974 522 1 . 1 1 91 91 ASP CA C 91 52.890 52.890 56.599 -3.709 19974 523 1 . 1 1 91 91 ASP CB C 91 40.230 40.230 40.662 -0.432 19974 524 1 . 1 1 91 91 ASP H H 91 8.250 8.250 8.490 -0.240 19974 525 1 . 1 1 92 92 PHE N N 92 122.130 122.130 121.014 1.116 19974 526 1 . 1 1 92 92 PHE HA H 92 3.857 3.857 4.393 -0.536 19974 527 1 . 1 1 92 92 PHE C C 92 177.040 177.040 176.680 0.360 19974 528 1 . 1 1 92 92 PHE CA C 92 61.910 61.910 60.783 1.128 19974 529 1 . 1 1 92 92 PHE CB C 92 40.696 40.696 39.617 1.079 19974 530 1 . 1 1 92 92 PHE H H 92 7.564 7.564 7.775 -0.211 19974 531 1 . 1 1 93 93 TRP N N 93 113.980 113.980 119.388 -5.408 19974 532 1 . 1 1 93 93 TRP HA H 93 4.726 4.726 4.553 0.173 19974 533 1 . 1 1 93 93 TRP C C 93 176.420 176.420 178.099 -1.679 19974 534 1 . 1 1 93 93 TRP CA C 93 56.020 56.020 59.758 -3.738 19974 535 1 . 1 1 93 93 TRP CB C 93 29.990 29.990 29.240 0.750 19974 536 1 . 1 1 93 93 TRP H H 93 8.532 8.532 7.961 0.571 19974 537 1 . 1 1 94 94 ASP N N 94 122.120 122.120 119.716 2.404 19974 538 1 . 1 1 94 94 ASP HA H 94 4.228 4.228 4.422 -0.194 19974 539 1 . 1 1 94 94 ASP C C 94 178.550 178.550 178.343 0.207 19974 540 1 . 1 1 94 94 ASP CA C 94 59.120 59.120 58.057 1.063 19974 541 1 . 1 1 94 94 ASP CB C 94 39.140 39.140 40.577 -1.437 19974 542 1 . 1 1 94 94 ASP H H 94 7.904 7.904 8.610 -0.706 19974 543 1 . 1 1 95 95 THR N N 95 111.200 111.200 112.804 -1.604 19974 544 1 . 1 1 95 95 THR HA H 95 4.004 4.004 3.991 0.013 19974 545 1 . 1 1 95 95 THR C C 95 177.630 177.630 176.574 1.056 19974 546 1 . 1 1 95 95 THR CA C 95 65.560 65.560 66.281 -0.721 19974 547 1 . 1 1 95 95 THR CB C 95 68.230 68.230 68.559 -0.329 19974 548 1 . 1 1 95 95 THR H H 95 8.559 8.559 7.810 0.749 19974 549 1 . 1 1 96 96 THR N N 96 123.230 123.230 118.730 4.500 19974 550 1 . 1 1 96 96 THR HA H 96 3.725 3.725 3.857 -0.132 19974 551 1 . 1 1 96 96 THR C C 96 175.410 175.410 176.531 -1.121 19974 552 1 . 1 1 96 96 THR CA C 96 68.286 68.286 66.777 1.509 19974 553 1 . 1 1 96 96 THR CB C 96 68.200 68.200 68.447 -0.247 19974 554 1 . 1 1 96 96 THR H H 96 7.991 7.991 7.526 0.465 19974 555 1 . 1 1 97 97 ARG N N 97 119.960 119.960 121.113 -1.153 19974 556 1 . 1 1 97 97 ARG HA H 97 3.829 3.829 4.030 -0.201 19974 557 1 . 1 1 97 97 ARG C C 97 178.320 178.320 178.732 -0.412 19974 558 1 . 1 1 97 97 ARG CA C 97 60.390 60.390 60.017 0.373 19974 559 1 . 1 1 97 97 ARG CB C 97 29.870 29.870 30.205 -0.335 19974 560 1 . 1 1 97 97 ARG H H 97 8.825 8.825 8.007 0.818 19974 561 1 . 1 1 98 98 ASN N N 98 115.680 115.680 118.101 -2.421 19974 562 1 . 1 1 98 98 ASN HA H 98 4.390 4.390 4.498 -0.108 19974 563 1 . 1 1 98 98 ASN C C 98 176.620 176.620 177.447 -0.827 19974 564 1 . 1 1 98 98 ASN CA C 98 56.050 56.050 56.235 -0.185 19974 565 1 . 1 1 98 98 ASN CB C 98 38.220 38.220 38.218 0.002 19974 566 1 . 1 1 98 98 ASN H H 98 8.508 8.508 8.377 0.131 19974 567 1 . 1 1 99 99 ALA N N 99 120.830 120.830 123.335 -2.505 19974 568 1 . 1 1 99 99 ALA HA H 99 4.020 4.020 4.006 0.014 19974 569 1 . 1 1 99 99 ALA C C 99 179.800 179.800 179.455 0.345 19974 570 1 . 1 1 99 99 ALA CA C 99 54.770 54.770 55.059 -0.289 19974 571 1 . 1 1 99 99 ALA CB C 99 18.110 18.110 18.566 -0.455 19974 572 1 . 1 1 99 99 ALA H H 99 7.447 7.447 7.833 -0.386 19974 573 1 . 1 1 100 100 ILE N N 100 116.240 116.240 119.212 -2.972 19974 574 1 . 1 1 100 100 ILE HA H 100 3.203 3.203 3.562 -0.359 19974 575 1 . 1 1 100 100 ILE C C 100 178.050 178.050 177.661 0.389 19974 576 1 . 1 1 100 100 ILE CA C 100 64.550 64.550 65.086 -0.536 19974 577 1 . 1 1 100 100 ILE CB C 100 37.640 37.640 37.372 0.268 19974 578 1 . 1 1 100 100 ILE H H 100 7.339 7.339 7.615 -0.276 19974 579 1 . 1 1 101 101 GLN N N 101 118.750 118.750 119.598 -0.848 19974 580 1 . 1 1 101 101 GLN HA H 101 3.917 3.917 3.761 0.156 19974 581 1 . 1 1 101 101 GLN C C 101 177.870 177.870 178.462 -0.592 19974 582 1 . 1 1 101 101 GLN CA C 101 59.200 59.200 59.261 -0.061 19974 583 1 . 1 1 101 101 GLN CB C 101 28.860 28.860 28.869 -0.009 19974 584 1 . 1 1 101 101 GLN H H 101 8.359 8.359 8.178 0.181 19974 585 1 . 1 1 102 102 LEU N N 102 117.790 117.790 119.555 -1.765 19974 586 1 . 1 1 102 102 LEU HA H 102 3.951 3.951 4.071 -0.120 19974 587 1 . 1 1 102 102 LEU C C 102 179.550 179.550 179.210 0.340 19974 588 1 . 1 1 102 102 LEU CA C 102 58.190 58.190 58.046 0.143 19974 589 1 . 1 1 102 102 LEU CB C 102 42.320 42.320 41.709 0.611 19974 590 1 . 1 1 102 102 LEU H H 102 8.119 8.119 8.062 0.057 19974 591 1 . 1 1 103 103 GLN N N 103 113.650 113.650 118.110 -4.460 19974 592 1 . 1 1 103 103 GLN HA H 103 4.426 4.426 4.170 0.256 19974 593 1 . 1 1 103 103 GLN C C 103 179.680 179.680 178.795 0.885 19974 594 1 . 1 1 103 103 GLN CA C 103 56.550 56.550 58.305 -1.755 19974 595 1 . 1 1 103 103 GLN CB C 103 27.480 27.480 28.564 -1.084 19974 596 1 . 1 1 103 103 GLN H H 103 6.636 6.636 7.663 -1.027 19974 597 1 . 1 1 104 104 PHE N N 104 123.740 123.740 120.832 2.908 19974 598 1 . 1 1 104 104 PHE HA H 104 3.895 3.895 4.301 -0.406 19974 599 1 . 1 1 104 104 PHE C C 104 180.130 180.130 177.853 2.277 19974 600 1 . 1 1 104 104 PHE CA C 104 59.760 59.760 61.505 -1.745 19974 601 1 . 1 1 104 104 PHE CB C 104 36.620 36.620 38.911 -2.291 19974 602 1 . 1 1 104 104 PHE H H 104 9.161 9.161 8.770 0.391 19974 603 1 . 1 1 105 105 LYS N N 105 119.280 119.280 118.478 0.802 19974 604 1 . 1 1 105 105 LYS HA H 105 4.126 4.126 4.078 0.048 19974 605 1 . 1 1 105 105 LYS C C 105 177.290 177.290 178.439 -1.149 19974 606 1 . 1 1 105 105 LYS CA C 105 58.913 58.913 58.974 -0.061 19974 607 1 . 1 1 105 105 LYS CB C 105 31.920 31.920 32.292 -0.372 19974 608 1 . 1 1 105 105 LYS H H 105 8.519 8.519 8.260 0.259 19974 609 1 . 1 1 106 106 GLN N N 106 114.530 114.530 115.940 -1.410 19974 610 1 . 1 1 106 106 GLN HA H 106 4.415 4.415 4.217 0.198 19974 611 1 . 1 1 106 106 GLN C C 106 175.450 175.450 176.966 -1.516 19974 612 1 . 1 1 106 106 GLN CA C 106 54.850 54.850 56.977 -2.127 19974 613 1 . 1 1 106 106 GLN CB C 106 30.010 30.010 29.671 0.339 19974 614 1 . 1 1 106 106 GLN H H 106 6.934 6.934 7.584 -0.650 19974 615 1 . 1 1 107 107 GLY N N 107 106.800 106.800 105.973 0.827 19974 616 1 . 1 1 107 107 GLY C C 107 173.140 173.140 173.810 -0.670 19974 617 1 . 1 1 107 107 GLY CA C 107 44.930 44.930 44.440 0.490 19974 618 1 . 1 1 107 107 GLY H H 107 7.722 7.722 8.130 -0.408 19974 619 1 . 1 1 108 108 ASN N N 108 120.230 120.230 120.929 -0.699 19974 620 1 . 1 1 108 108 ASN HA H 108 4.827 4.827 4.791 0.036 19974 621 1 . 1 1 108 108 ASN C C 108 174.820 174.820 175.057 -0.237 19974 622 1 . 1 1 108 108 ASN CA C 108 50.520 50.520 50.489 0.031 19974 623 1 . 1 1 108 108 ASN CB C 108 37.090 37.090 37.380 -0.290 19974 624 1 . 1 1 108 108 ASN H H 108 7.654 7.654 7.962 -0.308 19974 625 1 . 1 1 109 109 PHE N N 109 122.130 122.130 122.636 -0.506 19974 626 1 . 1 1 109 109 PHE HA H 109 4.038 4.038 3.473 0.565 19974 627 1 . 1 1 109 109 PHE C C 109 177.270 177.270 177.515 -0.245 19974 628 1 . 1 1 109 109 PHE CA C 109 60.670 60.670 60.522 0.148 19974 629 1 . 1 1 109 109 PHE CB C 109 38.220 38.220 38.057 0.163 19974 630 1 . 1 1 109 109 PHE H H 109 7.231 7.231 7.134 0.097 19974 631 1 . 1 1 110 110 LYS N N 110 118.670 118.670 119.820 -1.150 19974 632 1 . 1 1 110 110 LYS HA H 110 3.610 3.610 3.864 -0.254 19974 633 1 . 1 1 110 110 LYS C C 110 177.680 177.680 178.599 -0.919 19974 634 1 . 1 1 110 110 LYS CA C 110 60.050 60.050 60.280 -0.230 19974 635 1 . 1 1 110 110 LYS CB C 110 29.680 29.680 31.817 -2.137 19974 636 1 . 1 1 110 110 LYS H H 110 8.727 8.727 8.432 0.295 19974 637 1 . 1 1 111 111 GLN N N 111 117.980 117.980 118.228 -0.248 19974 638 1 . 1 1 111 111 GLN HA H 111 3.491 3.491 4.064 -0.573 19974 639 1 . 1 1 111 111 GLN C C 111 177.640 177.640 178.516 -0.876 19974 640 1 . 1 1 111 111 GLN CA C 111 57.530 57.530 58.742 -1.212 19974 641 1 . 1 1 111 111 GLN CB C 111 28.460 28.460 28.301 0.159 19974 642 1 . 1 1 111 111 GLN H H 111 8.442 8.442 8.181 0.261 19974 643 1 . 1 1 112 112 GLY N N 112 103.740 103.740 107.987 -4.247 19974 644 1 . 1 1 112 112 GLY C C 112 173.970 173.970 176.356 -2.386 19974 645 1 . 1 1 112 112 GLY CA C 112 48.730 48.730 47.044 1.686 19974 646 1 . 1 1 112 112 GLY H H 112 8.196 8.196 8.189 0.007 19974 647 1 . 1 1 113 113 LEU N N 113 119.640 119.640 122.947 -3.307 19974 648 1 . 1 1 113 113 LEU HA H 113 3.868 3.868 4.017 -0.149 19974 649 1 . 1 1 113 113 LEU C C 113 177.480 177.480 178.881 -1.401 19974 650 1 . 1 1 113 113 LEU CA C 113 58.150 58.150 57.772 0.378 19974 651 1 . 1 1 113 113 LEU CB C 113 41.920 41.920 42.059 -0.139 19974 652 1 . 1 1 113 113 LEU H H 113 7.614 7.614 8.101 -0.486 19974 653 1 . 1 1 114 114 VAL N N 114 118.510 118.510 120.566 -2.056 19974 654 1 . 1 1 114 114 VAL HA H 114 3.269 3.269 3.494 -0.225 19974 655 1 . 1 1 114 114 VAL C C 114 177.330 177.330 177.869 -0.539 19974 656 1 . 1 1 114 114 VAL CA C 114 67.787 67.787 67.309 0.479 19974 657 1 . 1 1 114 114 VAL CB C 114 31.600 31.600 31.591 0.009 19974 658 1 . 1 1 114 114 VAL H H 114 8.284 8.284 8.555 -0.271 19974 659 1 . 1 1 115 115 ASP N N 115 119.440 119.440 119.191 0.249 19974 660 1 . 1 1 115 115 ASP HA H 115 4.261 4.261 4.419 -0.158 19974 661 1 . 1 1 115 115 ASP C C 115 179.840 179.840 178.758 1.082 19974 662 1 . 1 1 115 115 ASP CA C 115 56.950 56.950 57.323 -0.373 19974 663 1 . 1 1 115 115 ASP CB C 115 39.840 39.840 40.310 -0.470 19974 664 1 . 1 1 115 115 ASP H H 115 8.724 8.724 8.602 0.122 19974 665 1 . 1 1 116 116 GLY N N 116 107.280 107.280 108.419 -1.139 19974 666 1 . 1 1 116 116 GLY C C 116 174.130 174.130 176.203 -2.073 19974 667 1 . 1 1 116 116 GLY CA C 116 47.190 47.190 46.916 0.274 19974 668 1 . 1 1 116 116 GLY H H 116 8.370 8.370 7.893 0.477 19974 669 1 . 1 1 117 117 ILE N N 117 123.350 123.350 122.564 0.786 19974 670 1 . 1 1 117 117 ILE HA H 117 3.307 3.307 3.603 -0.296 19974 671 1 . 1 1 117 117 ILE C C 117 176.750 176.750 177.483 -0.733 19974 672 1 . 1 1 117 117 ILE CA C 117 66.168 66.168 65.310 0.858 19974 673 1 . 1 1 117 117 ILE CB C 117 37.760 37.760 37.866 -0.106 19974 674 1 . 1 1 117 117 ILE H H 117 8.573 8.573 8.263 0.310 19974 675 1 . 1 1 118 118 GLU N N 118 119.220 119.220 120.488 -1.268 19974 676 1 . 1 1 118 118 GLU HA H 118 4.003 4.003 3.857 0.146 19974 677 1 . 1 1 118 118 GLU C C 118 180.600 180.600 178.956 1.644 19974 678 1 . 1 1 118 118 GLU CA C 118 59.472 59.472 60.004 -0.531 19974 679 1 . 1 1 118 118 GLU CB C 118 29.310 29.310 29.381 -0.071 19974 680 1 . 1 1 118 118 GLU H H 118 7.998 7.998 8.316 -0.318 19974 681 1 . 1 1 119 119 LYS N N 119 118.270 118.270 118.907 -0.637 19974 682 1 . 1 1 119 119 LYS HA H 119 3.897 3.897 4.032 -0.135 19974 683 1 . 1 1 119 119 LYS C C 119 179.040 179.040 178.923 0.117 19974 684 1 . 1 1 119 119 LYS CA C 119 58.090 58.090 59.107 -1.017 19974 685 1 . 1 1 119 119 LYS CB C 119 31.340 31.340 32.230 -0.890 19974 686 1 . 1 1 119 119 LYS H H 119 7.846 7.846 7.954 -0.108 19974 687 1 . 1 1 120 120 ALA N N 120 125.280 125.280 122.567 2.713 19974 688 1 . 1 1 120 120 ALA HA H 120 4.195 4.195 3.948 0.247 19974 689 1 . 1 1 120 120 ALA C C 120 180.230 180.230 179.438 0.792 19974 690 1 . 1 1 120 120 ALA CA C 120 55.040 55.040 55.027 0.013 19974 691 1 . 1 1 120 120 ALA CB C 120 17.380 17.380 18.293 -0.913 19974 692 1 . 1 1 120 120 ALA H H 120 9.092 9.092 7.922 1.170 19974 693 1 . 1 1 121 121 GLY N N 121 104.130 104.130 106.794 -2.665 19974 694 1 . 1 1 121 121 GLY C C 121 174.930 174.930 176.298 -1.368 19974 695 1 . 1 1 121 121 GLY CA C 121 47.590 47.590 47.078 0.512 19974 696 1 . 1 1 121 121 GLY H H 121 8.606 8.606 8.547 0.059 19974 697 1 . 1 1 122 122 MET N N 122 117.000 117.000 121.007 -4.007 19974 698 1 . 1 1 122 122 MET HA H 122 4.183 4.183 4.126 0.057 19974 699 1 . 1 1 122 122 MET C C 122 178.500 178.500 178.172 0.328 19974 700 1 . 1 1 122 122 MET CA C 122 57.470 57.470 58.502 -1.032 19974 701 1 . 1 1 122 122 MET CB C 122 32.200 32.200 32.438 -0.238 19974 702 1 . 1 1 122 122 MET H H 122 7.284 7.284 8.124 -0.840 19974 703 1 . 1 1 123 123 ALA N N 123 124.060 124.060 121.471 2.589 19974 704 1 . 1 1 123 123 ALA HA H 123 4.076 4.076 4.307 -0.231 19974 705 1 . 1 1 123 123 ALA C C 123 180.880 180.880 180.443 0.437 19974 706 1 . 1 1 123 123 ALA CA C 123 54.760 54.760 54.670 0.090 19974 707 1 . 1 1 123 123 ALA CB C 123 17.590 17.590 18.501 -0.911 19974 708 1 . 1 1 123 123 ALA H H 123 8.308 8.308 7.888 0.420 19974 709 1 . 1 1 124 124 LEU N N 124 117.060 117.060 120.427 -3.367 19974 710 1 . 1 1 124 124 LEU HA H 124 4.270 4.270 4.282 -0.012 19974 711 1 . 1 1 124 124 LEU C C 124 179.170 179.170 179.069 0.101 19974 712 1 . 1 1 124 124 LEU CA C 124 57.840 57.840 57.967 -0.128 19974 713 1 . 1 1 124 124 LEU CB C 124 42.920 42.920 41.871 1.049 19974 714 1 . 1 1 124 124 LEU H H 124 8.871 8.871 8.812 0.059 19974 715 1 . 1 1 125 125 ALA N N 125 120.950 120.950 120.423 0.527 19974 716 1 . 1 1 125 125 ALA HA H 125 3.956 3.956 4.469 -0.513 19974 717 1 . 1 1 125 125 ALA C C 125 177.740 177.740 179.124 -1.384 19974 718 1 . 1 1 125 125 ALA CA C 125 55.220 55.220 54.624 0.596 19974 719 1 . 1 1 125 125 ALA CB C 125 19.180 19.180 18.422 0.758 19974 720 1 . 1 1 125 125 ALA H H 125 7.829 7.829 8.472 -0.643 19974 721 1 . 1 1 126 126 LYS N N 126 113.320 113.320 118.227 -4.907 19974 722 1 . 1 1 126 126 LYS HA H 126 3.798 3.798 4.075 -0.277 19974 723 1 . 1 1 126 126 LYS C C 126 176.550 176.550 178.022 -1.472 19974 724 1 . 1 1 126 126 LYS CA C 126 58.490 58.490 58.617 -0.127 19974 725 1 . 1 1 126 126 LYS CB C 126 32.620 32.620 32.505 0.115 19974 726 1 . 1 1 126 126 LYS H H 126 6.971 6.971 7.774 -0.803 19974 727 1 . 1 1 127 127 TYR N N 127 113.850 113.850 116.369 -2.519 19974 728 1 . 1 1 127 127 TYR HA H 127 4.067 4.067 4.212 -0.145 19974 729 1 . 1 1 127 127 TYR C C 127 174.390 174.390 175.985 -1.595 19974 730 1 . 1 1 127 127 TYR CA C 127 58.770 58.770 60.130 -1.360 19974 731 1 . 1 1 127 127 TYR CB C 127 41.930 41.930 39.541 2.389 19974 732 1 . 1 1 127 127 TYR H H 127 6.817 6.817 7.701 -0.884 19974 733 1 . 1 1 128 128 PHE N N 128 116.130 116.130 117.181 -1.051 19974 734 1 . 1 1 128 128 PHE HA H 128 4.907 4.907 5.024 -0.117 19974 735 1 . 1 1 128 128 PHE C C 128 172.450 172.450 173.668 -1.218 19974 736 1 . 1 1 128 128 PHE CA C 128 55.003 55.003 54.967 0.036 19974 737 1 . 1 1 128 128 PHE CB C 128 38.550 38.550 39.861 -1.311 19974 738 1 . 1 1 128 128 PHE H H 128 8.688 8.688 8.499 0.189 19974 739 1 . 1 1 129 129 PRO HA H 129 4.680 4.680 4.641 0.039 19974 740 1 . 1 1 129 129 PRO C C 129 175.720 175.720 176.597 -0.877 19974 741 1 . 1 1 129 129 PRO CA C 129 63.382 63.382 62.644 0.738 19974 742 1 . 1 1 129 129 PRO CB C 129 31.810 31.810 32.308 -0.498 19974 743 1 . 1 1 130 130 TRP N N 130 123.170 123.170 127.104 -3.934 19974 744 1 . 1 1 130 130 TRP HA H 130 4.031 4.031 4.586 -0.555 19974 745 1 . 1 1 130 130 TRP C C 130 175.310 175.310 175.668 -0.358 19974 746 1 . 1 1 130 130 TRP CA C 130 59.510 59.510 58.491 1.019 19974 747 1 . 1 1 130 130 TRP CB C 130 29.300 29.300 30.293 -0.993 19974 748 1 . 1 1 130 130 TRP H H 130 7.910 7.910 8.593 -0.683 19974 749 1 . 1 1 131 131 LYS N N 131 127.060 127.060 125.832 1.228 19974 750 1 . 1 1 131 131 LYS HA H 131 4.260 4.260 4.315 -0.055 19974 751 1 . 1 1 131 131 LYS C C 131 174.450 174.450 176.080 -1.630 19974 752 1 . 1 1 131 131 LYS CA C 131 53.240 53.240 54.223 -0.983 19974 753 1 . 1 1 131 131 LYS CB C 131 35.250 35.250 34.559 0.691 19974 754 1 . 1 1 131 131 LYS H H 131 8.097 8.097 7.571 0.526 19974 755 1 . 1 1 132 132 LYS N N 132 116.250 116.250 121.768 -5.518 19974 756 1 . 1 1 132 132 LYS HA H 132 3.398 3.398 3.542 -0.144 19974 757 1 . 1 1 132 132 LYS C C 132 176.550 176.550 176.218 0.332 19974 758 1 . 1 1 132 132 LYS CA C 132 58.140 58.140 58.150 -0.010 19974 759 1 . 1 1 132 132 LYS CB C 132 31.880 31.880 32.343 -0.463 19974 760 1 . 1 1 132 132 LYS H H 132 7.761 7.761 8.474 -0.713 19974 761 1 . 1 1 133 133 ASP N N 133 116.600 116.600 117.769 -1.169 19974 762 1 . 1 1 133 133 ASP HA H 133 4.351 4.351 4.630 -0.279 19974 763 1 . 1 1 133 133 ASP C C 133 175.320 175.320 175.467 -0.147 19974 764 1 . 1 1 133 133 ASP CA C 133 52.520 52.520 53.461 -0.941 19974 765 1 . 1 1 133 133 ASP CB C 133 38.720 38.720 40.221 -1.501 19974 766 1 . 1 1 133 133 ASP H H 133 7.633 7.633 7.785 -0.152 19974 767 1 . 1 1 134 134 ASP N N 134 119.140 119.140 120.989 -1.849 19974 768 1 . 1 1 134 134 ASP HA H 134 3.989 3.989 4.409 -0.420 19974 769 1 . 1 1 134 134 ASP C C 134 175.500 175.500 176.097 -0.597 19974 770 1 . 1 1 134 134 ASP CA C 134 56.410 56.410 54.789 1.621 19974 771 1 . 1 1 134 134 ASP CB C 134 42.740 42.740 41.669 1.071 19974 772 1 . 1 1 134 134 ASP H H 134 7.251 7.251 7.322 -0.071 19974 773 1 . 1 1 135 135 ILE N N 135 123.230 123.230 119.721 3.509 19974 774 1 . 1 1 135 135 ILE HA H 135 4.301 4.301 4.448 -0.147 19974 775 1 . 1 1 135 135 ILE C C 135 176.300 176.300 174.728 1.572 19974 776 1 . 1 1 135 135 ILE CA C 135 58.640 58.640 59.469 -0.829 19974 777 1 . 1 1 135 135 ILE CB C 135 40.800 40.800 39.780 1.020 19974 778 1 . 1 1 135 135 ILE H H 135 8.351 8.351 8.136 0.215 19974 779 1 . 1 1 136 136 ASP N N 136 131.670 131.670 126.527 5.143 19974 780 1 . 1 1 136 136 ASP HA H 136 5.640 5.640 4.780 0.860 19974 781 1 . 1 1 136 136 ASP C C 136 176.150 176.150 175.994 0.156 19974 782 1 . 1 1 136 136 ASP CA C 136 52.560 52.560 53.928 -1.368 19974 783 1 . 1 1 136 136 ASP CB C 136 38.180 38.180 41.051 -2.871 19974 784 1 . 1 1 136 136 ASP H H 136 9.036 9.036 8.577 0.459 19974 785 1 . 1 1 137 137 GLU N N 137 125.270 125.270 123.540 1.730 19974 786 1 . 1 1 137 137 GLU HA H 137 3.735 3.735 4.356 -0.621 19974 787 1 . 1 1 137 137 GLU C C 137 176.110 176.110 176.301 -0.191 19974 788 1 . 1 1 137 137 GLU CA C 137 59.490 59.490 56.957 2.533 19974 789 1 . 1 1 137 137 GLU CB C 137 32.880 32.880 30.610 2.270 19974 790 1 . 1 1 137 137 GLU H H 137 8.435 8.435 8.980 -0.545 19974 791 1 . 1 1 138 138 LEU N N 138 117.210 117.210 121.229 -4.019 19974 792 1 . 1 1 138 138 LEU HA H 138 4.960 4.960 4.687 0.273 19974 793 1 . 1 1 138 138 LEU C C 138 173.560 173.560 174.671 -1.111 19974 794 1 . 1 1 138 138 LEU CA C 138 50.310 50.310 52.006 -1.696 19974 795 1 . 1 1 138 138 LEU CB C 138 41.350 41.350 43.104 -1.754 19974 796 1 . 1 1 138 138 LEU H H 138 8.308 8.308 7.883 0.425 19974 797 1 . 1 1 139 139 PRO HA H 139 4.335 4.335 4.627 -0.292 19974 798 1 . 1 1 139 139 PRO C C 139 177.700 177.700 176.506 1.194 19974 799 1 . 1 1 139 139 PRO CA C 139 62.550 62.550 62.090 0.460 19974 800 1 . 1 1 139 139 PRO CB C 139 32.520 32.520 33.032 -0.512 19974 801 1 . 1 1 140 140 ASN N N 140 120.930 120.930 118.417 2.513 19974 802 1 . 1 1 140 140 ASN HA H 140 4.730 4.730 4.613 0.117 19974 803 1 . 1 1 140 140 ASN C C 140 174.460 174.460 175.116 -0.656 19974 804 1 . 1 1 140 140 ASN CA C 140 52.790 52.790 53.880 -1.091 19974 805 1 . 1 1 140 140 ASN CB C 140 38.520 38.520 38.615 -0.095 19974 806 1 . 1 1 140 140 ASN H H 140 9.213 9.213 8.668 0.545 19974 807 1 . 1 1 141 141 THR N N 141 107.730 107.730 113.430 -5.700 19974 808 1 . 1 1 141 141 THR HA H 141 3.853 3.853 4.290 -0.437 19974 809 1 . 1 1 141 141 THR C C 141 176.410 176.410 174.396 2.014 19974 810 1 . 1 1 141 141 THR CA C 141 61.560 61.560 61.827 -0.267 19974 811 1 . 1 1 141 141 THR CB C 141 69.450 69.450 69.933 -0.483 19974 812 1 . 1 1 141 141 THR H H 141 7.003 7.003 7.445 -0.442 19974 813 1 . 1 1 142 142 ILE N N 142 129.530 129.530 123.568 5.962 19974 814 1 . 1 1 142 142 ILE HA H 142 3.976 3.976 4.055 -0.079 19974 815 1 . 1 1 142 142 ILE C C 142 176.020 176.020 176.018 0.002 19974 816 1 . 1 1 142 142 ILE CA C 142 62.150 62.150 61.475 0.675 19974 817 1 . 1 1 142 142 ILE CB C 142 37.890 37.890 38.351 -0.461 19974 818 1 . 1 1 142 142 ILE H H 142 9.030 9.030 8.347 0.683 19974 819 1 . 1 1 143 143 SER N N 143 124.630 124.630 123.069 1.561 19974 820 1 . 1 1 143 143 SER HA H 143 4.481 4.481 4.710 -0.229 19974 821 1 . 1 1 143 143 SER C C 143 172.920 172.920 172.877 0.043 19974 822 1 . 1 1 143 143 SER CA C 143 57.120 57.120 57.848 -0.727 19974 823 1 . 1 1 143 143 SER CB C 143 60.710 60.710 64.591 -3.881 19974 824 1 . 1 1 143 143 SER H H 143 8.709 8.709 8.637 0.072 19974 825 1 . 1 1 144 144 LYS N N 144 126.170 126.170 123.452 2.718 19974 826 1 . 1 1 144 144 LYS HA H 144 4.954 4.954 4.729 0.224 19974 827 1 . 1 1 144 144 LYS C C 144 175.910 175.910 176.067 -0.157 19974 828 1 . 1 1 144 144 LYS CA C 144 54.580 54.580 54.803 -0.223 19974 829 1 . 1 1 144 144 LYS CB C 144 35.170 35.170 35.960 -0.790 19974 830 1 . 1 1 144 144 LYS H H 144 8.043 8.043 8.356 -0.313 19974 stop_ save_