data_19354 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19354 _Entry.PDB_ID 2MAH 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 19354 _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 13 13 GLY N N 13 110.400 110.400 109.887 0.513 19354 2 1 1 . 1 1 13 13 GLY C C 13 173.560 173.560 172.198 1.362 19354 3 1 1 . 1 1 13 13 GLY CA C 13 45.111 45.111 45.709 -0.598 19354 4 1 1 . 1 1 13 13 GLY H H 13 8.335 8.335 8.198 0.137 19354 5 1 1 . 1 1 14 14 LEU N N 14 121.222 121.222 121.852 -0.630 19354 6 1 1 . 1 1 14 14 LEU HA H 14 4.378 4.378 4.418 -0.040 19354 7 1 1 . 1 1 14 14 LEU C C 14 177.119 177.119 175.235 1.884 19354 8 1 1 . 1 1 14 14 LEU CA C 14 54.838 54.838 55.003 -0.165 19354 9 1 1 . 1 1 14 14 LEU CB C 14 42.429 42.429 44.326 -1.897 19354 10 1 1 . 1 1 14 14 LEU H H 14 7.915 7.915 7.498 0.417 19354 11 1 1 . 1 1 15 15 VAL N N 15 123.222 123.222 125.559 -2.337 19354 12 1 1 . 1 1 15 15 VAL HA H 15 4.335 4.335 4.045 0.290 19354 13 1 1 . 1 1 15 15 VAL C C 15 175.602 175.602 175.223 0.379 19354 14 1 1 . 1 1 15 15 VAL CA C 15 59.375 59.375 60.163 -0.788 19354 15 1 1 . 1 1 15 15 VAL CB C 15 33.197 33.197 32.628 0.569 19354 16 1 1 . 1 1 15 15 VAL H H 15 8.297 8.297 8.391 -0.094 19354 17 1 1 . 1 1 16 16 PRO HA H 16 4.379 4.379 4.562 -0.183 19354 18 1 1 . 1 1 16 16 PRO CA C 16 62.925 62.925 63.222 -0.297 19354 19 1 1 . 1 1 16 16 PRO CB C 16 32.043 32.043 30.147 1.896 19354 20 1 1 . 1 1 17 17 ARG N N 17 122.742 122.742 122.097 0.645 19354 21 1 1 . 1 1 17 17 ARG HA H 17 4.219 4.219 4.622 -0.403 19354 22 1 1 . 1 1 17 17 ARG C C 17 176.586 176.586 176.502 0.084 19354 23 1 1 . 1 1 17 17 ARG CA C 17 55.479 55.479 54.646 0.833 19354 24 1 1 . 1 1 17 17 ARG CB C 17 30.889 30.889 32.986 -2.097 19354 25 1 1 . 1 1 17 17 ARG H H 17 8.469 8.469 8.088 0.381 19354 26 1 1 . 1 1 18 18 GLY N N 18 111.993 111.993 108.081 3.912 19354 27 1 1 . 1 1 18 18 GLY C C 18 174.453 174.453 173.699 0.754 19354 28 1 1 . 1 1 18 18 GLY CA C 18 45.670 45.670 44.401 1.269 19354 29 1 1 . 1 1 18 18 GLY H H 18 8.538 8.538 8.365 0.173 19354 30 1 1 . 1 1 19 19 SER HA H 19 4.318 4.318 4.194 0.124 19354 31 1 1 . 1 1 19 19 SER CA C 19 58.480 58.480 58.390 0.090 19354 32 1 1 . 1 1 19 19 SER CB C 19 63.535 63.535 63.699 -0.164 19354 33 1 1 . 1 1 20 20 HIS N N 20 120.039 120.039 122.009 -1.970 19354 34 1 1 . 1 1 20 20 HIS HA H 20 4.678 4.678 4.459 0.219 19354 35 1 1 . 1 1 20 20 HIS C C 20 174.263 174.263 174.922 -0.659 19354 36 1 1 . 1 1 20 20 HIS CA C 20 55.889 55.889 57.442 -1.553 19354 37 1 1 . 1 1 20 20 HIS CB C 20 32.027 32.027 29.293 2.734 19354 38 1 1 . 1 1 20 20 HIS H H 20 8.344 8.344 9.060 -0.716 19354 39 1 1 . 1 1 21 21 MET N N 21 120.453 120.453 121.241 -0.788 19354 40 1 1 . 1 1 21 21 MET HA H 21 4.676 4.676 4.699 -0.023 19354 41 1 1 . 1 1 21 21 MET C C 21 174.808 174.808 174.870 -0.062 19354 42 1 1 . 1 1 21 21 MET CA C 21 54.232 54.232 56.962 -2.731 19354 43 1 1 . 1 1 21 21 MET CB C 21 32.377 32.377 35.184 -2.807 19354 44 1 1 . 1 1 21 21 MET H H 21 8.587 8.587 8.076 0.511 19354 45 1 1 . 1 1 22 22 VAL N N 22 112.794 112.794 116.589 -3.795 19354 46 1 1 . 1 1 22 22 VAL HA H 22 5.297 5.297 4.946 0.351 19354 47 1 1 . 1 1 22 22 VAL C C 22 175.218 175.218 174.669 0.549 19354 48 1 1 . 1 1 22 22 VAL CA C 22 57.885 57.885 59.560 -1.675 19354 49 1 1 . 1 1 22 22 VAL CB C 22 35.895 35.895 35.378 0.517 19354 50 1 1 . 1 1 22 22 VAL H H 22 7.805 7.805 7.934 -0.129 19354 51 1 1 . 1 1 23 23 ARG N N 23 117.854 117.854 120.478 -2.624 19354 52 1 1 . 1 1 23 23 ARG HA H 23 4.578 4.578 4.578 0.000 19354 53 1 1 . 1 1 23 23 ARG C C 23 174.128 174.128 174.675 -0.547 19354 54 1 1 . 1 1 23 23 ARG CA C 23 54.192 54.192 54.804 -0.612 19354 55 1 1 . 1 1 23 23 ARG CB C 23 34.757 34.757 33.127 1.630 19354 56 1 1 . 1 1 23 23 ARG H H 23 8.430 8.430 7.915 0.515 19354 57 1 1 . 1 1 24 24 ARG N N 24 124.928 124.928 123.692 1.236 19354 58 1 1 . 1 1 24 24 ARG HA H 24 4.619 4.619 4.419 0.200 19354 59 1 1 . 1 1 24 24 ARG C C 24 176.265 176.265 175.421 0.844 19354 60 1 1 . 1 1 24 24 ARG CA C 24 57.824 57.824 56.639 1.185 19354 61 1 1 . 1 1 24 24 ARG CB C 24 29.913 29.913 28.354 1.560 19354 62 1 1 . 1 1 24 24 ARG H H 24 8.569 8.569 8.648 -0.079 19354 63 1 1 . 1 1 25 25 ALA N N 25 127.390 127.390 124.619 2.771 19354 64 1 1 . 1 1 25 25 ALA HA H 25 4.379 4.379 4.489 -0.110 19354 65 1 1 . 1 1 25 25 ALA C C 25 174.173 174.173 177.294 -3.121 19354 66 1 1 . 1 1 25 25 ALA CA C 25 51.382 51.382 50.915 0.467 19354 67 1 1 . 1 1 25 25 ALA CB C 25 23.050 23.050 20.925 2.125 19354 68 1 1 . 1 1 25 25 ALA H H 25 8.082 8.082 7.998 0.084 19354 69 1 1 . 1 1 26 26 ARG N N 26 116.820 116.820 118.455 -1.635 19354 70 1 1 . 1 1 26 26 ARG HA H 26 4.692 4.692 4.381 0.311 19354 71 1 1 . 1 1 26 26 ARG C C 26 177.847 177.847 175.046 2.801 19354 72 1 1 . 1 1 26 26 ARG CA C 26 55.271 55.271 56.039 -0.769 19354 73 1 1 . 1 1 26 26 ARG CB C 26 31.215 31.215 31.926 -0.711 19354 74 1 1 . 1 1 26 26 ARG H H 26 8.133 8.133 8.488 -0.355 19354 75 1 1 . 1 1 27 27 CYS N N 27 126.567 126.567 119.805 6.762 19354 76 1 1 . 1 1 27 27 CYS HA H 27 5.732 5.732 4.920 0.812 19354 77 1 1 . 1 1 27 27 CYS C C 27 175.288 175.288 173.304 1.984 19354 78 1 1 . 1 1 27 27 CYS CA C 27 51.785 51.785 57.956 -6.171 19354 79 1 1 . 1 1 27 27 CYS CB C 27 38.246 38.246 29.662 8.584 19354 80 1 1 . 1 1 27 27 CYS H H 27 9.709 9.709 8.358 1.351 19354 81 1 1 . 1 1 28 28 TYR N N 28 120.309 120.309 123.552 -3.243 19354 82 1 1 . 1 1 28 28 TYR HA H 28 5.079 5.079 5.148 -0.069 19354 83 1 1 . 1 1 28 28 TYR CA C 28 54.951 54.951 54.216 0.735 19354 84 1 1 . 1 1 28 28 TYR CB C 28 39.807 39.807 38.978 0.829 19354 85 1 1 . 1 1 28 28 TYR H H 28 8.870 8.870 8.913 -0.043 19354 86 1 1 . 1 1 29 29 PRO HA H 29 4.836 4.836 4.771 0.065 19354 87 1 1 . 1 1 29 29 PRO CA C 29 61.773 61.773 62.749 -0.976 19354 88 1 1 . 1 1 29 29 PRO CB C 29 31.173 31.173 31.955 -0.782 19354 89 1 1 . 1 1 30 30 THR N N 30 115.177 115.177 119.392 -4.215 19354 90 1 1 . 1 1 30 30 THR HA H 30 4.253 4.253 4.404 -0.151 19354 91 1 1 . 1 1 30 30 THR C C 30 173.688 173.688 175.313 -1.625 19354 92 1 1 . 1 1 30 30 THR CA C 30 61.324 61.324 64.243 -2.920 19354 93 1 1 . 1 1 30 30 THR CB C 30 70.191 70.191 69.489 0.702 19354 94 1 1 . 1 1 30 30 THR H H 30 7.978 7.978 8.754 -0.776 19354 95 1 1 . 1 1 31 31 SER N N 31 116.822 116.822 114.616 2.206 19354 96 1 1 . 1 1 31 31 SER HA H 31 4.702 4.702 4.757 -0.055 19354 97 1 1 . 1 1 31 31 SER C C 31 175.079 175.079 174.604 0.475 19354 98 1 1 . 1 1 31 31 SER CA C 31 57.057 57.057 56.921 0.136 19354 99 1 1 . 1 1 31 31 SER CB C 31 66.020 66.020 65.338 0.682 19354 100 1 1 . 1 1 31 31 SER H H 31 8.451 8.451 8.011 0.440 19354 101 1 1 . 1 1 32 32 ASN N N 32 118.803 118.803 119.927 -1.124 19354 102 1 1 . 1 1 32 32 ASN HA H 32 4.385 4.385 4.552 -0.167 19354 103 1 1 . 1 1 32 32 ASN C C 32 175.705 175.705 175.929 -0.224 19354 104 1 1 . 1 1 32 32 ASN CA C 32 55.564 55.564 55.597 -0.033 19354 105 1 1 . 1 1 32 32 ASN CB C 32 37.637 37.637 38.896 -1.259 19354 106 1 1 . 1 1 32 32 ASN H H 32 8.802 8.802 8.681 0.121 19354 107 1 1 . 1 1 33 33 ALA N N 33 118.571 118.571 120.425 -1.854 19354 108 1 1 . 1 1 33 33 ALA HA H 33 4.262 4.262 4.404 -0.142 19354 109 1 1 . 1 1 33 33 ALA C C 33 179.229 179.229 177.198 2.031 19354 110 1 1 . 1 1 33 33 ALA CA C 33 53.087 53.087 53.343 -0.256 19354 111 1 1 . 1 1 33 33 ALA CB C 33 19.563 19.563 19.775 -0.212 19354 112 1 1 . 1 1 33 33 ALA H H 33 8.004 8.004 7.803 0.201 19354 113 1 1 . 1 1 34 34 THR N N 34 106.312 106.312 111.018 -4.706 19354 114 1 1 . 1 1 34 34 THR HA H 34 4.581 4.581 4.291 0.290 19354 115 1 1 . 1 1 34 34 THR C C 34 175.334 175.334 172.901 2.433 19354 116 1 1 . 1 1 34 34 THR CA C 34 60.586 60.586 61.980 -1.394 19354 117 1 1 . 1 1 34 34 THR CB C 34 70.195 70.195 69.558 0.637 19354 118 1 1 . 1 1 34 34 THR H H 34 7.551 7.551 7.592 -0.041 19354 119 1 1 . 1 1 35 35 ASN N N 35 122.599 122.599 125.602 -3.003 19354 120 1 1 . 1 1 35 35 ASN HA H 35 4.528 4.528 4.591 -0.063 19354 121 1 1 . 1 1 35 35 ASN C C 35 174.221 174.221 174.907 -0.686 19354 122 1 1 . 1 1 35 35 ASN CA C 35 52.790 52.790 54.296 -1.506 19354 123 1 1 . 1 1 35 35 ASN CB C 35 36.768 36.768 39.734 -2.966 19354 124 1 1 . 1 1 35 35 ASN H H 35 7.897 7.897 8.579 -0.682 19354 125 1 1 . 1 1 36 36 THR N N 36 107.151 107.151 115.966 -8.815 19354 126 1 1 . 1 1 36 36 THR HA H 36 4.979 4.979 4.495 0.484 19354 127 1 1 . 1 1 36 36 THR C C 36 173.651 173.651 172.544 1.107 19354 128 1 1 . 1 1 36 36 THR CA C 36 59.011 59.011 62.237 -3.226 19354 129 1 1 . 1 1 36 36 THR CB C 36 72.745 72.745 71.675 1.070 19354 130 1 1 . 1 1 36 36 THR H H 36 7.490 7.490 8.395 -0.905 19354 131 1 1 . 1 1 37 37 CYS N N 37 118.809 118.809 124.402 -5.593 19354 132 1 1 . 1 1 37 37 CYS HA H 37 4.095 4.095 4.909 -0.814 19354 133 1 1 . 1 1 37 37 CYS C C 37 173.688 173.688 173.684 0.004 19354 134 1 1 . 1 1 37 37 CYS CA C 37 55.634 55.634 58.823 -3.189 19354 135 1 1 . 1 1 37 37 CYS CB C 37 45.854 45.854 29.297 16.557 19354 136 1 1 . 1 1 37 37 CYS H H 37 8.632 8.632 8.492 0.140 19354 137 1 1 . 1 1 38 38 PHE N N 38 128.190 128.190 124.801 3.389 19354 138 1 1 . 1 1 38 38 PHE HA H 38 4.275 4.275 4.153 0.122 19354 139 1 1 . 1 1 38 38 PHE C C 38 176.261 176.261 176.501 -0.240 19354 140 1 1 . 1 1 38 38 PHE CA C 38 59.067 59.067 58.382 0.685 19354 141 1 1 . 1 1 38 38 PHE CB C 38 36.576 36.576 37.896 -1.320 19354 142 1 1 . 1 1 38 38 PHE H H 38 9.018 9.018 9.375 -0.357 19354 143 1 1 . 1 1 39 39 GLY N N 39 104.504 104.504 106.998 -2.494 19354 144 1 1 . 1 1 39 39 GLY C C 39 174.173 174.173 174.506 -0.333 19354 145 1 1 . 1 1 39 39 GLY CA C 39 45.112 45.112 45.218 -0.106 19354 146 1 1 . 1 1 39 39 GLY H H 39 8.566 8.566 8.505 0.061 19354 147 1 1 . 1 1 40 40 SER N N 40 116.201 116.201 120.817 -4.616 19354 148 1 1 . 1 1 40 40 SER HA H 40 4.529 4.529 4.375 0.154 19354 149 1 1 . 1 1 40 40 SER C C 40 173.873 173.873 174.316 -0.443 19354 150 1 1 . 1 1 40 40 SER CA C 40 57.436 57.436 58.629 -1.193 19354 151 1 1 . 1 1 40 40 SER CB C 40 63.718 63.718 63.660 0.058 19354 152 1 1 . 1 1 40 40 SER H H 40 7.533 7.533 8.141 -0.608 19354 153 1 1 . 1 1 41 41 LYS N N 41 127.456 127.456 126.542 0.914 19354 154 1 1 . 1 1 41 41 LYS HA H 41 4.056 4.056 4.114 -0.058 19354 155 1 1 . 1 1 41 41 LYS C C 41 176.632 176.632 175.967 0.665 19354 156 1 1 . 1 1 41 41 LYS CA C 41 56.409 56.409 56.634 -0.225 19354 157 1 1 . 1 1 41 41 LYS CB C 41 32.169 32.169 33.026 -0.857 19354 158 1 1 . 1 1 41 41 LYS H H 41 8.768 8.768 8.494 0.274 19354 159 1 1 . 1 1 42 42 LEU N N 42 128.016 128.016 124.870 3.146 19354 160 1 1 . 1 1 42 42 LEU HA H 42 4.120 4.120 4.431 -0.311 19354 161 1 1 . 1 1 42 42 LEU CA C 42 52.010 52.010 51.375 0.635 19354 162 1 1 . 1 1 42 42 LEU CB C 42 40.680 40.680 40.581 0.099 19354 163 1 1 . 1 1 42 42 LEU H H 42 8.304 8.304 8.042 0.262 19354 164 1 1 . 1 1 43 43 PRO HA H 43 4.453 4.453 4.218 0.234 19354 165 1 1 . 1 1 43 43 PRO CA C 43 62.807 62.807 63.863 -1.056 19354 166 1 1 . 1 1 43 43 PRO CB C 43 29.625 29.625 31.695 -2.070 19354 167 1 1 . 1 1 44 44 TYR N N 44 116.871 116.871 115.515 1.356 19354 168 1 1 . 1 1 44 44 TYR HA H 44 4.689 4.689 4.843 -0.154 19354 169 1 1 . 1 1 44 44 TYR C C 44 175.239 175.239 174.965 0.274 19354 170 1 1 . 1 1 44 44 TYR CA C 44 53.718 53.718 54.718 -1.000 19354 171 1 1 . 1 1 44 44 TYR CB C 44 38.637 38.637 40.024 -1.387 19354 172 1 1 . 1 1 44 44 TYR H H 44 6.311 6.311 6.661 -0.350 19354 173 1 1 . 1 1 45 45 GLU N N 45 118.221 118.221 119.561 -1.340 19354 174 1 1 . 1 1 45 45 GLU HA H 45 4.138 4.138 4.478 -0.340 19354 175 1 1 . 1 1 45 45 GLU C C 45 176.282 176.282 175.156 1.126 19354 176 1 1 . 1 1 45 45 GLU CA C 45 57.502 57.502 56.029 1.473 19354 177 1 1 . 1 1 45 45 GLU CB C 45 31.105 31.105 30.456 0.649 19354 178 1 1 . 1 1 45 45 GLU H H 45 8.591 8.591 8.713 -0.122 19354 179 1 1 . 1 1 46 46 LEU N N 46 119.826 119.826 118.834 0.992 19354 180 1 1 . 1 1 46 46 LEU HA H 46 4.974 4.974 5.279 -0.305 19354 181 1 1 . 1 1 46 46 LEU C C 46 175.420 175.420 176.178 -0.758 19354 182 1 1 . 1 1 46 46 LEU CA C 46 53.202 53.202 53.367 -0.165 19354 183 1 1 . 1 1 46 46 LEU CB C 46 43.587 43.587 45.536 -1.949 19354 184 1 1 . 1 1 46 46 LEU H H 46 8.176 8.176 7.518 0.658 19354 185 1 1 . 1 1 47 47 SER N N 47 111.561 111.561 113.099 -1.538 19354 186 1 1 . 1 1 47 47 SER HA H 47 5.020 5.020 4.539 0.481 19354 187 1 1 . 1 1 47 47 SER C C 47 173.833 173.833 172.345 1.488 19354 188 1 1 . 1 1 47 47 SER CA C 47 53.006 53.006 56.968 -3.962 19354 189 1 1 . 1 1 47 47 SER CB C 47 64.691 64.691 65.389 -0.698 19354 190 1 1 . 1 1 47 47 SER H H 47 7.924 7.924 8.327 -0.403 19354 191 1 1 . 1 1 48 48 SER N N 48 111.459 111.459 121.227 -9.768 19354 192 1 1 . 1 1 48 48 SER HA H 48 4.841 4.841 4.790 0.051 19354 193 1 1 . 1 1 48 48 SER C C 48 175.602 175.602 175.199 0.403 19354 194 1 1 . 1 1 48 48 SER CA C 48 57.388 57.388 55.278 2.110 19354 195 1 1 . 1 1 48 48 SER CB C 48 66.333 66.333 63.310 3.022 19354 196 1 1 . 1 1 48 48 SER H H 48 8.628 8.628 8.746 -0.118 19354 197 1 1 . 1 1 49 49 LEU N N 49 128.995 128.995 130.866 -1.871 19354 198 1 1 . 1 1 49 49 LEU HA H 49 4.383 4.383 4.378 0.005 19354 199 1 1 . 1 1 49 49 LEU C C 49 179.571 179.571 177.927 1.644 19354 200 1 1 . 1 1 49 49 LEU CA C 49 56.032 56.032 56.978 -0.946 19354 201 1 1 . 1 1 49 49 LEU CB C 49 41.904 41.904 41.578 0.327 19354 202 1 1 . 1 1 49 49 LEU H H 49 9.519 9.519 9.226 0.293 19354 203 1 1 . 1 1 50 50 ASP N N 50 115.013 115.013 119.658 -4.645 19354 204 1 1 . 1 1 50 50 ASP HA H 50 4.168 4.168 4.376 -0.208 19354 205 1 1 . 1 1 50 50 ASP C C 50 176.486 176.486 178.463 -1.977 19354 206 1 1 . 1 1 50 50 ASP CA C 50 58.352 58.352 56.572 1.780 19354 207 1 1 . 1 1 50 50 ASP CB C 50 41.259 41.259 40.710 0.549 19354 208 1 1 . 1 1 50 50 ASP H H 50 8.191 8.191 7.921 0.270 19354 209 1 1 . 1 1 51 51 LEU N N 51 118.298 118.298 118.269 0.029 19354 210 1 1 . 1 1 51 51 LEU HA H 51 4.329 4.329 4.106 0.223 19354 211 1 1 . 1 1 51 51 LEU C C 51 175.556 175.556 177.096 -1.540 19354 212 1 1 . 1 1 51 51 LEU CA C 51 54.483 54.483 56.639 -2.156 19354 213 1 1 . 1 1 51 51 LEU CB C 51 39.219 39.219 42.455 -3.236 19354 214 1 1 . 1 1 51 51 LEU H H 51 8.732 8.732 7.635 1.097 19354 215 1 1 . 1 1 52 52 THR N N 52 106.427 106.427 108.340 -1.913 19354 216 1 1 . 1 1 52 52 THR HA H 52 2.784 2.784 4.408 -1.624 19354 217 1 1 . 1 1 52 52 THR C C 52 172.812 172.812 173.307 -0.495 19354 218 1 1 . 1 1 52 52 THR CA C 52 58.759 58.759 60.214 -1.455 19354 219 1 1 . 1 1 52 52 THR CB C 52 71.985 71.985 71.358 0.627 19354 220 1 1 . 1 1 52 52 THR H H 52 7.574 7.574 7.418 0.156 19354 221 1 1 . 1 1 53 53 ASP HA H 53 4.398 4.398 4.709 -0.311 19354 222 1 1 . 1 1 53 53 ASP CA C 53 52.757 52.757 53.152 -0.395 19354 223 1 1 . 1 1 53 53 ASP CB C 53 40.737 40.737 40.788 -0.051 19354 224 1 1 . 1 1 54 54 PHE N N 54 117.929 117.929 117.810 0.119 19354 225 1 1 . 1 1 54 54 PHE HA H 54 4.498 4.498 4.813 -0.315 19354 226 1 1 . 1 1 54 54 PHE C C 54 176.169 176.169 176.363 -0.194 19354 227 1 1 . 1 1 54 54 PHE CA C 54 57.477 57.477 57.392 0.085 19354 228 1 1 . 1 1 54 54 PHE CB C 54 39.270 39.270 39.804 -0.534 19354 229 1 1 . 1 1 54 54 PHE H H 54 7.575 7.575 7.591 -0.016 19354 230 1 1 . 1 1 55 55 HIS N N 55 115.333 115.333 116.678 -1.345 19354 231 1 1 . 1 1 55 55 HIS HA H 55 4.585 4.585 4.786 -0.201 19354 232 1 1 . 1 1 55 55 HIS C C 55 175.080 175.080 174.371 0.709 19354 233 1 1 . 1 1 55 55 HIS CA C 55 56.439 56.439 56.050 0.389 19354 234 1 1 . 1 1 55 55 HIS CB C 55 31.104 31.104 31.026 0.078 19354 235 1 1 . 1 1 55 55 HIS H H 55 9.230 9.230 9.029 0.201 19354 236 1 1 . 1 1 56 56 THR N N 56 106.891 106.891 111.021 -4.130 19354 237 1 1 . 1 1 56 56 THR HA H 56 4.528 4.528 4.271 0.257 19354 238 1 1 . 1 1 56 56 THR C C 56 173.696 173.696 174.112 -0.416 19354 239 1 1 . 1 1 56 56 THR CA C 56 58.725 58.725 60.789 -2.064 19354 240 1 1 . 1 1 56 56 THR CB C 56 72.851 72.851 69.953 2.898 19354 241 1 1 . 1 1 56 56 THR H H 56 7.343 7.343 7.362 -0.019 19354 242 1 1 . 1 1 57 57 GLU N N 57 121.798 121.798 124.285 -2.487 19354 243 1 1 . 1 1 57 57 GLU HA H 57 3.611 3.611 3.947 -0.336 19354 244 1 1 . 1 1 57 57 GLU C C 57 178.417 178.417 178.252 0.165 19354 245 1 1 . 1 1 57 57 GLU CA C 57 59.380 59.380 60.253 -0.873 19354 246 1 1 . 1 1 57 57 GLU CB C 57 29.873 29.873 29.700 0.173 19354 247 1 1 . 1 1 57 57 GLU H H 57 8.841 8.841 8.763 0.078 19354 248 1 1 . 1 1 58 58 LYS N N 58 121.091 121.091 118.307 2.784 19354 249 1 1 . 1 1 58 58 LYS HA H 58 3.903 3.903 3.885 0.018 19354 250 1 1 . 1 1 58 58 LYS C C 58 177.745 177.745 178.510 -0.765 19354 251 1 1 . 1 1 58 58 LYS CA C 58 59.470 59.470 59.349 0.121 19354 252 1 1 . 1 1 58 58 LYS CB C 58 32.130 32.130 31.777 0.353 19354 253 1 1 . 1 1 58 58 LYS H H 58 8.307 8.307 7.675 0.632 19354 254 1 1 . 1 1 59 59 GLU N N 59 117.790 117.790 119.758 -1.968 19354 255 1 1 . 1 1 59 59 GLU HA H 59 3.852 3.852 3.924 -0.072 19354 256 1 1 . 1 1 59 59 GLU C C 59 178.051 178.051 178.348 -0.297 19354 257 1 1 . 1 1 59 59 GLU CA C 59 59.094 59.094 58.980 0.115 19354 258 1 1 . 1 1 59 59 GLU CB C 59 30.468 30.468 29.112 1.356 19354 259 1 1 . 1 1 59 59 GLU H H 59 7.537 7.537 7.430 0.107 19354 260 1 1 . 1 1 60 60 LEU N N 60 118.763 118.763 120.585 -1.822 19354 261 1 1 . 1 1 60 60 LEU HA H 60 3.211 3.211 2.792 0.419 19354 262 1 1 . 1 1 60 60 LEU C C 60 178.070 178.070 178.216 -0.146 19354 263 1 1 . 1 1 60 60 LEU CA C 60 59.007 59.007 57.039 1.968 19354 264 1 1 . 1 1 60 60 LEU CB C 60 42.750 42.750 41.745 1.005 19354 265 1 1 . 1 1 60 60 LEU H H 60 7.321 7.321 7.074 0.247 19354 266 1 1 . 1 1 61 61 ASN N N 61 116.987 116.987 116.155 0.832 19354 267 1 1 . 1 1 61 61 ASN HA H 61 4.127 4.127 4.276 -0.149 19354 268 1 1 . 1 1 61 61 ASN C C 61 177.689 177.689 177.379 0.310 19354 269 1 1 . 1 1 61 61 ASN CA C 61 57.310 57.310 55.961 1.349 19354 270 1 1 . 1 1 61 61 ASN CB C 61 39.288 39.288 38.561 0.727 19354 271 1 1 . 1 1 61 61 ASN H H 61 8.335 8.335 7.986 0.349 19354 272 1 1 . 1 1 62 62 ASP N N 62 120.935 120.935 120.232 0.703 19354 273 1 1 . 1 1 62 62 ASP HA H 62 4.306 4.306 4.430 -0.124 19354 274 1 1 . 1 1 62 62 ASP C C 62 178.868 178.868 178.365 0.503 19354 275 1 1 . 1 1 62 62 ASP CA C 62 57.510 57.510 56.715 0.795 19354 276 1 1 . 1 1 62 62 ASP CB C 62 39.596 39.596 40.780 -1.184 19354 277 1 1 . 1 1 62 62 ASP H H 62 8.376 8.376 7.877 0.499 19354 278 1 1 . 1 1 63 63 LYS N N 63 119.626 119.626 120.982 -1.356 19354 279 1 1 . 1 1 63 63 LYS HA H 63 4.168 4.168 4.091 0.077 19354 280 1 1 . 1 1 63 63 LYS C C 63 179.458 179.458 178.810 0.648 19354 281 1 1 . 1 1 63 63 LYS CA C 63 55.698 55.698 58.958 -3.260 19354 282 1 1 . 1 1 63 63 LYS CB C 63 31.082 31.082 32.213 -1.131 19354 283 1 1 . 1 1 63 63 LYS H H 63 7.748 7.748 7.714 0.034 19354 284 1 1 . 1 1 64 64 LEU N N 64 120.255 120.255 120.172 0.083 19354 285 1 1 . 1 1 64 64 LEU HA H 64 3.688 3.688 4.058 -0.370 19354 286 1 1 . 1 1 64 64 LEU C C 64 178.732 178.732 178.478 0.254 19354 287 1 1 . 1 1 64 64 LEU CA C 64 57.722 57.722 58.757 -1.035 19354 288 1 1 . 1 1 64 64 LEU CB C 64 41.236 41.236 41.779 -0.543 19354 289 1 1 . 1 1 64 64 LEU H H 64 8.221 8.221 7.594 0.627 19354 290 1 1 . 1 1 65 65 ASN N N 65 113.630 113.630 116.941 -3.311 19354 291 1 1 . 1 1 65 65 ASN HA H 65 4.580 4.580 4.217 0.363 19354 292 1 1 . 1 1 65 65 ASN C C 65 178.394 178.394 177.599 0.795 19354 293 1 1 . 1 1 65 65 ASN CA C 65 55.628 55.628 56.561 -0.933 19354 294 1 1 . 1 1 65 65 ASN CB C 65 38.269 38.269 37.966 0.303 19354 295 1 1 . 1 1 65 65 ASN H H 65 7.482 7.482 7.782 -0.300 19354 296 1 1 . 1 1 66 66 ASP N N 66 120.683 120.683 119.944 0.739 19354 297 1 1 . 1 1 66 66 ASP HA H 66 4.482 4.482 4.453 0.029 19354 298 1 1 . 1 1 66 66 ASP C C 66 179.095 179.095 179.115 -0.020 19354 299 1 1 . 1 1 66 66 ASP CA C 66 56.623 56.623 57.240 -0.617 19354 300 1 1 . 1 1 66 66 ASP CB C 66 39.883 39.883 41.007 -1.124 19354 301 1 1 . 1 1 66 66 ASP H H 66 7.834 7.834 8.066 -0.232 19354 302 1 1 . 1 1 67 67 TYR N N 67 116.512 116.512 121.151 -4.639 19354 303 1 1 . 1 1 67 67 TYR HA H 67 3.984 3.984 4.388 -0.404 19354 304 1 1 . 1 1 67 67 TYR C C 67 176.554 176.554 177.909 -1.355 19354 305 1 1 . 1 1 67 67 TYR CA C 67 62.142 62.142 60.742 1.400 19354 306 1 1 . 1 1 67 67 TYR CB C 67 37.436 37.436 38.199 -0.763 19354 307 1 1 . 1 1 67 67 TYR H H 67 8.132 8.132 7.800 0.332 19354 308 1 1 . 1 1 68 68 TYR N N 68 118.786 118.786 120.497 -1.711 19354 309 1 1 . 1 1 68 68 TYR HA H 68 3.632 3.632 3.220 0.412 19354 310 1 1 . 1 1 68 68 TYR C C 68 177.915 177.915 177.629 0.286 19354 311 1 1 . 1 1 68 68 TYR CA C 68 61.395 61.395 61.940 -0.545 19354 312 1 1 . 1 1 68 68 TYR CB C 68 37.345 37.345 37.439 -0.094 19354 313 1 1 . 1 1 68 68 TYR H H 68 7.558 7.558 8.491 -0.933 19354 314 1 1 . 1 1 69 69 ALA N N 69 120.715 120.715 121.872 -1.157 19354 315 1 1 . 1 1 69 69 ALA HA H 69 3.935 3.935 3.925 0.010 19354 316 1 1 . 1 1 69 69 ALA C C 69 179.390 179.390 179.224 0.166 19354 317 1 1 . 1 1 69 69 ALA CA C 69 54.015 54.015 54.601 -0.586 19354 318 1 1 . 1 1 69 69 ALA CB C 69 18.529 18.529 17.748 0.781 19354 319 1 1 . 1 1 69 69 ALA H H 69 7.453 7.453 7.719 -0.266 19354 320 1 1 . 1 1 70 70 LEU N N 70 117.212 117.212 119.310 -2.098 19354 321 1 1 . 1 1 70 70 LEU HA H 70 3.765 3.765 3.883 -0.118 19354 322 1 1 . 1 1 70 70 LEU C C 70 177.280 177.280 177.895 -0.615 19354 323 1 1 . 1 1 70 70 LEU CA C 70 56.634 56.634 56.847 -0.213 19354 324 1 1 . 1 1 70 70 LEU CB C 70 41.045 41.045 41.731 -0.686 19354 325 1 1 . 1 1 70 70 LEU H H 70 7.764 7.764 8.097 -0.333 19354 326 1 1 . 1 1 71 71 LYS N N 71 118.756 118.756 118.695 0.061 19354 327 1 1 . 1 1 71 71 LYS HA H 71 3.039 3.039 3.564 -0.525 19354 328 1 1 . 1 1 71 71 LYS C C 71 177.121 177.121 177.862 -0.741 19354 329 1 1 . 1 1 71 71 LYS CA C 71 58.865 58.865 58.799 0.066 19354 330 1 1 . 1 1 71 71 LYS CB C 71 31.247 31.247 31.081 0.166 19354 331 1 1 . 1 1 71 71 LYS H H 71 7.001 7.001 8.008 -1.007 19354 332 1 1 . 1 1 72 72 HIS N N 72 113.331 113.331 118.420 -5.089 19354 333 1 1 . 1 1 72 72 HIS HA H 72 4.304 4.304 4.238 0.066 19354 334 1 1 . 1 1 72 72 HIS C C 72 174.232 174.232 176.028 -1.796 19354 335 1 1 . 1 1 72 72 HIS CA C 72 57.245 57.245 57.844 -0.599 19354 336 1 1 . 1 1 72 72 HIS CB C 72 30.221 30.221 30.254 -0.033 19354 337 1 1 . 1 1 72 72 HIS H H 72 6.973 6.973 7.482 -0.509 19354 338 1 1 . 1 1 73 73 VAL N N 73 121.486 121.486 120.515 0.971 19354 339 1 1 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.351 0.180 19354 340 1 1 . 1 1 73 73 VAL CA C 73 59.159 59.159 59.928 -0.769 19354 341 1 1 . 1 1 73 73 VAL CB C 73 30.604 30.604 32.807 -2.203 19354 342 1 1 . 1 1 73 73 VAL H H 73 7.821 7.821 7.869 -0.048 19354 343 1 1 . 1 1 74 74 PRO HA H 74 4.070 4.070 4.675 -0.605 19354 344 1 1 . 1 1 74 74 PRO CA C 74 66.637 66.637 65.171 1.466 19354 345 1 1 . 1 1 74 74 PRO CB C 74 32.212 32.212 32.150 0.062 19354 346 1 1 . 1 1 75 75 LYS N N 75 116.832 116.832 120.055 -3.223 19354 347 1 1 . 1 1 75 75 LYS HA H 75 4.099 4.099 4.168 -0.069 19354 348 1 1 . 1 1 75 75 LYS C C 75 180.048 180.048 178.277 1.771 19354 349 1 1 . 1 1 75 75 LYS CA C 75 59.398 59.398 59.014 0.384 19354 350 1 1 . 1 1 75 75 LYS CB C 75 31.296 31.296 31.469 -0.173 19354 351 1 1 . 1 1 75 75 LYS H H 75 9.234 9.234 8.668 0.566 19354 352 1 1 . 1 1 76 76 CYS N N 76 116.333 116.333 117.239 -0.906 19354 353 1 1 . 1 1 76 76 CYS HA H 76 4.320 4.320 4.624 -0.304 19354 354 1 1 . 1 1 76 76 CYS C C 76 175.012 175.012 176.442 -1.430 19354 355 1 1 . 1 1 76 76 CYS CA C 76 58.297 58.297 60.708 -2.411 19354 356 1 1 . 1 1 76 76 CYS CB C 76 38.803 38.803 26.928 11.875 19354 357 1 1 . 1 1 76 76 CYS H H 76 7.496 7.496 8.165 -0.669 19354 358 1 1 . 1 1 77 77 TRP N N 77 119.987 119.987 123.010 -3.023 19354 359 1 1 . 1 1 77 77 TRP HA H 77 4.452 4.452 4.259 0.193 19354 360 1 1 . 1 1 77 77 TRP C C 77 177.462 177.462 177.916 -0.454 19354 361 1 1 . 1 1 77 77 TRP CA C 77 58.821 58.821 60.056 -1.235 19354 362 1 1 . 1 1 77 77 TRP CB C 77 30.425 30.425 29.148 1.277 19354 363 1 1 . 1 1 77 77 TRP H H 77 8.254 8.254 8.533 -0.279 19354 364 1 1 . 1 1 78 78 ALA N N 78 116.093 116.093 119.764 -3.671 19354 365 1 1 . 1 1 78 78 ALA HA H 78 3.736 3.736 3.504 0.232 19354 366 1 1 . 1 1 78 78 ALA C C 78 178.845 178.845 178.882 -0.037 19354 367 1 1 . 1 1 78 78 ALA CA C 78 54.188 54.188 53.867 0.320 19354 368 1 1 . 1 1 78 78 ALA CB C 78 18.323 18.323 17.680 0.643 19354 369 1 1 . 1 1 78 78 ALA H H 78 7.968 7.968 7.957 0.011 19354 370 1 1 . 1 1 79 79 ALA N N 79 116.351 116.351 120.379 -4.028 19354 371 1 1 . 1 1 79 79 ALA HA H 79 4.147 4.147 4.164 -0.017 19354 372 1 1 . 1 1 79 79 ALA C C 79 178.414 178.414 178.076 0.338 19354 373 1 1 . 1 1 79 79 ALA CA C 79 53.243 53.243 54.077 -0.834 19354 374 1 1 . 1 1 79 79 ALA CB C 79 19.832 19.832 18.961 0.871 19354 375 1 1 . 1 1 79 79 ALA H H 79 6.929 6.929 7.137 -0.208 19354 376 1 1 . 1 1 80 80 ILE N N 80 115.150 115.150 117.224 -2.074 19354 377 1 1 . 1 1 80 80 ILE HA H 80 4.218 4.218 4.205 0.013 19354 378 1 1 . 1 1 80 80 ILE C C 80 176.350 176.350 176.151 0.199 19354 379 1 1 . 1 1 80 80 ILE CA C 80 62.069 62.069 59.863 2.206 19354 380 1 1 . 1 1 80 80 ILE CB C 80 39.375 39.375 38.014 1.361 19354 381 1 1 . 1 1 80 80 ILE H H 80 8.695 8.695 7.463 1.232 19354 382 1 1 . 1 1 81 81 GLN N N 81 122.564 122.564 121.477 1.087 19354 383 1 1 . 1 1 81 81 GLN HA H 81 3.332 3.332 3.869 -0.537 19354 384 1 1 . 1 1 81 81 GLN C C 81 173.470 173.470 175.599 -2.129 19354 385 1 1 . 1 1 81 81 GLN CA C 81 61.829 61.829 61.116 0.713 19354 386 1 1 . 1 1 81 81 GLN CB C 81 25.973 25.973 26.835 -0.863 19354 387 1 1 . 1 1 81 81 GLN H H 81 7.315 7.315 7.322 -0.007 19354 388 1 1 . 1 1 82 82 PRO HA H 82 4.076 4.076 4.199 -0.123 19354 389 1 1 . 1 1 82 82 PRO CA C 82 65.894 65.894 64.840 1.054 19354 390 1 1 . 1 1 82 82 PRO CB C 82 30.481 30.481 31.402 -0.921 19354 391 1 1 . 1 1 83 83 PHE N N 83 119.137 119.137 119.516 -0.379 19354 392 1 1 . 1 1 83 83 PHE HA H 83 4.289 4.289 4.311 -0.022 19354 393 1 1 . 1 1 83 83 PHE C C 83 175.919 175.919 175.894 0.025 19354 394 1 1 . 1 1 83 83 PHE CA C 83 59.712 59.712 57.149 2.563 19354 395 1 1 . 1 1 83 83 PHE CB C 83 39.329 39.329 38.750 0.579 19354 396 1 1 . 1 1 83 83 PHE H H 83 6.892 6.892 7.809 -0.917 19354 397 1 1 . 1 1 84 84 LEU N N 84 116.693 116.693 119.542 -2.849 19354 398 1 1 . 1 1 84 84 LEU HA H 84 3.611 3.611 3.400 0.211 19354 399 1 1 . 1 1 84 84 LEU C C 84 180.297 180.297 178.122 2.175 19354 400 1 1 . 1 1 84 84 LEU CA C 84 57.952 57.952 57.473 0.479 19354 401 1 1 . 1 1 84 84 LEU CB C 84 41.645 41.645 40.449 1.196 19354 402 1 1 . 1 1 84 84 LEU H H 84 8.589 8.589 7.684 0.905 19354 403 1 1 . 1 1 85 85 CYS N N 85 115.085 115.085 115.499 -0.414 19354 404 1 1 . 1 1 85 85 CYS HA H 85 4.127 4.127 4.421 -0.294 19354 405 1 1 . 1 1 85 85 CYS C C 85 175.556 175.556 176.031 -0.475 19354 406 1 1 . 1 1 85 85 CYS CA C 85 57.678 57.678 60.381 -2.703 19354 407 1 1 . 1 1 85 85 CYS CB C 85 39.396 39.396 27.774 11.621 19354 408 1 1 . 1 1 85 85 CYS H H 85 8.001 8.001 7.230 0.771 19354 409 1 1 . 1 1 86 86 ALA N N 86 121.743 121.743 121.721 0.022 19354 410 1 1 . 1 1 86 86 ALA HA H 86 3.922 3.922 4.286 -0.364 19354 411 1 1 . 1 1 86 86 ALA C C 86 177.745 177.745 177.162 0.583 19354 412 1 1 . 1 1 86 86 ALA CA C 86 54.306 54.306 53.584 0.722 19354 413 1 1 . 1 1 86 86 ALA CB C 86 18.778 18.778 18.456 0.323 19354 414 1 1 . 1 1 86 86 ALA H H 86 7.671 7.671 7.538 0.133 19354 415 1 1 . 1 1 87 87 VAL N N 87 115.667 115.667 116.167 -0.500 19354 416 1 1 . 1 1 87 87 VAL HA H 87 3.735 3.735 3.465 0.270 19354 417 1 1 . 1 1 87 87 VAL C C 87 175.806 175.806 175.177 0.629 19354 418 1 1 . 1 1 87 87 VAL CA C 87 64.622 64.622 62.952 1.670 19354 419 1 1 . 1 1 87 87 VAL CB C 87 32.936 32.936 31.797 1.139 19354 420 1 1 . 1 1 87 87 VAL H H 87 7.460 7.460 7.036 0.424 19354 421 1 1 . 1 1 88 88 PHE N N 88 115.306 115.306 116.383 -1.077 19354 422 1 1 . 1 1 88 88 PHE HA H 88 4.048 4.048 4.609 -0.561 19354 423 1 1 . 1 1 88 88 PHE C C 88 176.192 176.192 175.421 0.771 19354 424 1 1 . 1 1 88 88 PHE CA C 88 60.420 60.420 58.127 2.293 19354 425 1 1 . 1 1 88 88 PHE CB C 88 40.182 40.182 40.199 -0.017 19354 426 1 1 . 1 1 88 88 PHE H H 88 8.930 8.930 6.988 1.942 19354 427 1 1 . 1 1 89 89 LYS N N 89 115.470 115.470 119.627 -4.157 19354 428 1 1 . 1 1 89 89 LYS HA H 89 4.816 4.816 4.864 -0.048 19354 429 1 1 . 1 1 89 89 LYS C C 89 184.176 184.176 173.586 10.590 19354 430 1 1 . 1 1 89 89 LYS CA C 89 53.428 53.428 53.326 0.102 19354 431 1 1 . 1 1 89 89 LYS CB C 89 33.274 33.274 32.328 0.946 19354 432 1 1 . 1 1 89 89 LYS H H 89 7.802 7.802 7.718 0.084 19354 433 1 1 . 1 1 90 90 PRO HA H 90 4.250 4.250 4.280 -0.030 19354 434 1 1 . 1 1 90 90 PRO CA C 90 62.682 62.682 62.413 0.269 19354 435 1 1 . 1 1 90 90 PRO CB C 90 32.358 32.358 32.581 -0.223 19354 436 1 1 . 1 1 91 91 LYS N N 91 122.391 122.391 122.419 -0.028 19354 437 1 1 . 1 1 91 91 LYS HA H 91 3.039 3.039 2.897 0.142 19354 438 1 1 . 1 1 91 91 LYS C C 91 173.356 173.356 175.414 -2.058 19354 439 1 1 . 1 1 91 91 LYS CA C 91 58.027 58.027 55.827 2.200 19354 440 1 1 . 1 1 91 91 LYS CB C 91 31.285 31.285 31.340 -0.055 19354 441 1 1 . 1 1 91 91 LYS H H 91 8.537 8.537 8.328 0.209 19354 442 1 1 . 1 1 92 92 CYS N N 92 127.562 127.562 127.277 0.285 19354 443 1 1 . 1 1 92 92 CYS HA H 92 5.391 5.391 4.801 0.590 19354 444 1 1 . 1 1 92 92 CYS C C 92 171.655 171.655 173.920 -2.265 19354 445 1 1 . 1 1 92 92 CYS CA C 92 53.804 53.804 57.588 -3.784 19354 446 1 1 . 1 1 92 92 CYS CB C 92 41.219 41.219 26.503 14.716 19354 447 1 1 . 1 1 92 92 CYS H H 92 7.037 7.037 7.933 -0.896 19354 448 1 1 . 1 1 93 93 GLU N N 93 124.483 124.483 127.710 -3.227 19354 449 1 1 . 1 1 93 93 GLU HA H 93 4.492 4.492 4.686 -0.194 19354 450 1 1 . 1 1 93 93 GLU C C 93 173.371 173.371 174.968 -1.597 19354 451 1 1 . 1 1 93 93 GLU CA C 93 54.874 54.874 54.142 0.733 19354 452 1 1 . 1 1 93 93 GLU CB C 93 34.630 34.630 32.224 2.406 19354 453 1 1 . 1 1 93 93 GLU H H 93 9.401 9.401 7.940 1.461 19354 454 1 1 . 1 1 94 94 LYS N N 94 122.694 122.694 120.725 1.969 19354 455 1 1 . 1 1 94 94 LYS HA H 94 4.581 4.581 4.701 -0.120 19354 456 1 1 . 1 1 94 94 LYS C C 94 176.509 176.509 176.319 0.190 19354 457 1 1 . 1 1 94 94 LYS CA C 94 55.856 55.856 55.465 0.391 19354 458 1 1 . 1 1 94 94 LYS CB C 94 31.809 31.809 33.119 -1.310 19354 459 1 1 . 1 1 94 94 LYS H H 94 8.526 8.526 8.532 -0.006 19354 460 1 1 . 1 1 95 95 ILE N N 95 128.382 128.382 127.079 1.303 19354 461 1 1 . 1 1 95 95 ILE HA H 95 4.049 4.049 4.107 -0.058 19354 462 1 1 . 1 1 95 95 ILE C C 95 176.337 176.337 175.899 0.438 19354 463 1 1 . 1 1 95 95 ILE CA C 95 60.847 60.847 60.802 0.045 19354 464 1 1 . 1 1 95 95 ILE CB C 95 39.625 39.625 37.938 1.687 19354 465 1 1 . 1 1 95 95 ILE H H 95 9.001 9.001 8.547 0.454 19354 466 1 1 . 1 1 96 96 ASN N N 96 127.596 127.596 127.493 0.103 19354 467 1 1 . 1 1 96 96 ASN HA H 96 4.212 4.212 4.427 -0.215 19354 468 1 1 . 1 1 96 96 ASN C C 96 175.496 175.496 175.132 0.364 19354 469 1 1 . 1 1 96 96 ASN CA C 96 53.970 53.970 53.522 0.448 19354 470 1 1 . 1 1 96 96 ASN CB C 96 37.238 37.238 38.064 -0.826 19354 471 1 1 . 1 1 96 96 ASN H H 96 9.474 9.474 9.316 0.158 19354 472 1 1 . 1 1 97 97 GLY N N 97 101.656 101.656 102.833 -1.177 19354 473 1 1 . 1 1 97 97 GLY C C 97 173.651 173.651 173.557 0.094 19354 474 1 1 . 1 1 97 97 GLY CA C 97 45.167 45.167 44.840 0.327 19354 475 1 1 . 1 1 97 97 GLY H H 97 8.476 8.476 8.179 0.297 19354 476 1 1 . 1 1 98 98 GLU N N 98 120.042 120.042 120.542 -0.500 19354 477 1 1 . 1 1 98 98 GLU HA H 98 4.587 4.587 4.472 0.115 19354 478 1 1 . 1 1 98 98 GLU C C 98 174.422 174.422 174.971 -0.549 19354 479 1 1 . 1 1 98 98 GLU CA C 98 54.294 54.294 54.465 -0.171 19354 480 1 1 . 1 1 98 98 GLU CB C 98 32.934 32.934 31.743 1.191 19354 481 1 1 . 1 1 98 98 GLU H H 98 7.591 7.591 7.571 0.020 19354 482 1 1 . 1 1 99 99 ASP N N 99 126.603 126.603 127.752 -1.149 19354 483 1 1 . 1 1 99 99 ASP HA H 99 4.340 4.340 4.540 -0.200 19354 484 1 1 . 1 1 99 99 ASP C C 99 176.214 176.214 175.673 0.541 19354 485 1 1 . 1 1 99 99 ASP CA C 99 55.408 55.408 56.146 -0.738 19354 486 1 1 . 1 1 99 99 ASP CB C 99 41.629 41.629 40.446 1.183 19354 487 1 1 . 1 1 99 99 ASP H H 99 8.489 8.489 8.773 -0.284 19354 488 1 1 . 1 1 100 100 MET N N 100 121.977 121.977 121.659 0.318 19354 489 1 1 . 1 1 100 100 MET HA H 100 4.911 4.911 5.404 -0.493 19354 490 1 1 . 1 1 100 100 MET C C 100 172.900 172.900 175.077 -2.177 19354 491 1 1 . 1 1 100 100 MET CA C 100 53.649 53.649 53.608 0.041 19354 492 1 1 . 1 1 100 100 MET CB C 100 35.529 35.529 36.924 -1.395 19354 493 1 1 . 1 1 100 100 MET H H 100 8.853 8.853 8.773 0.080 19354 494 1 1 . 1 1 101 101 VAL N N 101 119.963 119.963 111.686 8.277 19354 495 1 1 . 1 1 101 101 VAL HA H 101 4.814 4.814 4.433 0.381 19354 496 1 1 . 1 1 101 101 VAL C C 101 172.991 172.991 173.854 -0.863 19354 497 1 1 . 1 1 101 101 VAL CA C 101 58.203 58.203 59.706 -1.503 19354 498 1 1 . 1 1 101 101 VAL CB C 101 34.629 34.629 34.709 -0.080 19354 499 1 1 . 1 1 101 101 VAL H H 101 8.964 8.964 8.099 0.865 19354 500 1 1 . 1 1 102 102 TYR N N 102 125.849 125.849 122.180 3.669 19354 501 1 1 . 1 1 102 102 TYR HA H 102 4.444 4.444 4.809 -0.365 19354 502 1 1 . 1 1 102 102 TYR C C 102 176.464 176.464 175.931 0.533 19354 503 1 1 . 1 1 102 102 TYR CA C 102 57.549 57.549 57.103 0.446 19354 504 1 1 . 1 1 102 102 TYR CB C 102 38.274 38.274 38.007 0.267 19354 505 1 1 . 1 1 102 102 TYR H H 102 8.137 8.137 7.773 0.364 19354 506 1 1 . 1 1 103 103 LEU N N 103 123.151 123.151 126.715 -3.564 19354 507 1 1 . 1 1 103 103 LEU HA H 103 4.683 4.683 4.363 0.320 19354 508 1 1 . 1 1 103 103 LEU CA C 103 52.426 52.426 54.369 -1.943 19354 509 1 1 . 1 1 103 103 LEU CB C 103 42.038 42.038 41.765 0.273 19354 510 1 1 . 1 1 103 103 LEU H H 103 8.308 8.308 7.868 0.440 19354 511 1 1 . 1 1 104 104 PRO HA H 104 4.678 4.678 4.401 0.277 19354 512 1 1 . 1 1 104 104 PRO CA C 104 61.704 61.704 62.605 -0.901 19354 513 1 1 . 1 1 104 104 PRO CB C 104 32.020 32.020 32.407 -0.388 19354 514 1 1 . 1 1 105 105 SER N N 105 113.955 113.955 118.369 -4.414 19354 515 1 1 . 1 1 105 105 SER HA H 105 4.632 4.632 4.427 0.205 19354 516 1 1 . 1 1 105 105 SER C C 105 175.473 175.473 176.227 -0.754 19354 517 1 1 . 1 1 105 105 SER CA C 105 56.324 56.324 57.445 -1.121 19354 518 1 1 . 1 1 105 105 SER CB C 105 65.193 65.193 64.308 0.885 19354 519 1 1 . 1 1 105 105 SER H H 105 7.668 7.668 8.292 -0.624 19354 520 1 1 . 1 1 106 106 TYR N N 106 122.582 122.582 120.741 1.841 19354 521 1 1 . 1 1 106 106 TYR HA H 106 3.724 3.724 3.914 -0.190 19354 522 1 1 . 1 1 106 106 TYR C C 106 178.116 178.116 177.521 0.595 19354 523 1 1 . 1 1 106 106 TYR CA C 106 62.057 62.057 60.652 1.405 19354 524 1 1 . 1 1 106 106 TYR CB C 106 37.925 37.925 37.362 0.563 19354 525 1 1 . 1 1 106 106 TYR H H 106 8.492 8.492 9.009 -0.517 19354 526 1 1 . 1 1 107 107 GLU N N 107 118.362 118.362 119.249 -0.887 19354 527 1 1 . 1 1 107 107 GLU HA H 107 3.846 3.846 3.485 0.361 19354 528 1 1 . 1 1 107 107 GLU C C 107 177.421 177.421 178.599 -1.178 19354 529 1 1 . 1 1 107 107 GLU CA C 107 58.867 58.867 59.004 -0.137 19354 530 1 1 . 1 1 107 107 GLU CB C 107 28.969 28.969 28.722 0.247 19354 531 1 1 . 1 1 107 107 GLU H H 107 8.503 8.503 7.958 0.545 19354 532 1 1 . 1 1 108 108 MET N N 108 116.221 116.221 118.184 -1.963 19354 533 1 1 . 1 1 108 108 MET HA H 108 3.708 3.708 3.873 -0.165 19354 534 1 1 . 1 1 108 108 MET C C 108 176.804 176.804 177.804 -1.000 19354 535 1 1 . 1 1 108 108 MET CA C 108 58.648 58.648 58.752 -0.104 19354 536 1 1 . 1 1 108 108 MET CB C 108 33.058 33.058 32.253 0.805 19354 537 1 1 . 1 1 108 108 MET H H 108 7.409 7.409 7.804 -0.395 19354 538 1 1 . 1 1 109 109 CYS N N 109 114.131 114.131 115.446 -1.315 19354 539 1 1 . 1 1 109 109 CYS HA H 109 3.857 3.857 3.719 0.138 19354 540 1 1 . 1 1 109 109 CYS C C 109 178.047 178.047 177.010 1.037 19354 541 1 1 . 1 1 109 109 CYS CA C 109 58.737 58.737 60.377 -1.640 19354 542 1 1 . 1 1 109 109 CYS CB C 109 35.006 35.006 26.025 8.981 19354 543 1 1 . 1 1 109 109 CYS H H 109 6.817 6.817 7.647 -0.830 19354 544 1 1 . 1 1 110 110 ARG N N 110 124.629 124.629 121.666 2.963 19354 545 1 1 . 1 1 110 110 ARG HA H 110 3.376 3.376 3.984 -0.608 19354 546 1 1 . 1 1 110 110 ARG C C 110 179.435 179.435 177.858 1.577 19354 547 1 1 . 1 1 110 110 ARG CA C 110 59.641 59.641 58.843 0.798 19354 548 1 1 . 1 1 110 110 ARG CB C 110 29.273 29.273 29.489 -0.216 19354 549 1 1 . 1 1 110 110 ARG H H 110 8.885 8.885 7.614 1.271 19354 550 1 1 . 1 1 111 111 ILE N N 111 113.379 113.379 117.760 -4.381 19354 551 1 1 . 1 1 111 111 ILE HA H 111 3.796 3.796 3.740 0.056 19354 552 1 1 . 1 1 111 111 ILE C C 111 175.624 175.624 177.414 -1.790 19354 553 1 1 . 1 1 111 111 ILE CA C 111 63.811 63.811 64.140 -0.329 19354 554 1 1 . 1 1 111 111 ILE CB C 111 38.229 38.229 36.658 1.571 19354 555 1 1 . 1 1 111 111 ILE H H 111 7.422 7.422 7.843 -0.421 19354 556 1 1 . 1 1 112 112 THR N N 112 109.403 109.403 109.434 -0.031 19354 557 1 1 . 1 1 112 112 THR HA H 112 3.889 3.889 4.245 -0.356 19354 558 1 1 . 1 1 112 112 THR C C 112 175.798 175.798 175.995 -0.197 19354 559 1 1 . 1 1 112 112 THR CA C 112 62.856 62.856 64.621 -1.765 19354 560 1 1 . 1 1 112 112 THR CB C 112 70.168 70.168 69.515 0.653 19354 561 1 1 . 1 1 112 112 THR H H 112 7.574 7.574 7.494 0.080 19354 562 1 1 . 1 1 113 113 MET N N 113 119.638 119.638 121.609 -1.971 19354 563 1 1 . 1 1 113 113 MET HA H 113 3.541 3.541 4.418 -0.877 19354 564 1 1 . 1 1 113 113 MET C C 113 177.174 177.174 178.226 -1.052 19354 565 1 1 . 1 1 113 113 MET CA C 113 60.235 60.235 59.101 1.134 19354 566 1 1 . 1 1 113 113 MET CB C 113 32.338 32.338 32.417 -0.079 19354 567 1 1 . 1 1 113 113 MET H H 113 7.152 7.152 7.779 -0.627 19354 568 1 1 . 1 1 114 114 GLU N N 114 117.224 117.224 119.299 -2.075 19354 569 1 1 . 1 1 114 114 GLU HA H 114 4.114 4.114 4.163 -0.049 19354 570 1 1 . 1 1 114 114 GLU CA C 114 60.422 60.422 61.014 -0.592 19354 571 1 1 . 1 1 114 114 GLU CB C 114 26.103 26.103 28.056 -1.953 19354 572 1 1 . 1 1 114 114 GLU H H 114 8.580 8.580 7.770 0.810 19354 573 1 1 . 1 1 115 115 PRO HA H 115 4.304 4.304 4.392 -0.088 19354 574 1 1 . 1 1 115 115 PRO CA C 115 65.128 65.128 64.153 0.975 19354 575 1 1 . 1 1 115 115 PRO CB C 115 31.141 31.141 31.996 -0.855 19354 576 1 1 . 1 1 116 116 CYS N N 116 111.879 111.879 121.473 -9.594 19354 577 1 1 . 1 1 116 116 CYS HA H 116 4.679 4.679 4.858 -0.179 19354 578 1 1 . 1 1 116 116 CYS C C 116 174.808 174.808 175.163 -0.355 19354 579 1 1 . 1 1 116 116 CYS CA C 116 54.060 54.060 58.057 -3.997 19354 580 1 1 . 1 1 116 116 CYS CB C 116 42.879 42.879 25.735 17.144 19354 581 1 1 . 1 1 116 116 CYS H H 116 7.208 7.208 8.270 -1.062 19354 582 1 1 . 1 1 117 117 ARG N N 117 123.750 123.750 124.628 -0.878 19354 583 1 1 . 1 1 117 117 ARG HA H 117 3.161 3.161 4.379 -1.218 19354 584 1 1 . 1 1 117 117 ARG C C 117 178.210 178.210 177.431 0.779 19354 585 1 1 . 1 1 117 117 ARG CA C 117 59.743 59.743 58.045 1.698 19354 586 1 1 . 1 1 117 117 ARG CB C 117 29.486 29.486 30.367 -0.881 19354 587 1 1 . 1 1 117 117 ARG H H 117 7.436 7.436 8.286 -0.850 19354 588 1 1 . 1 1 118 118 ILE N N 118 116.384 116.384 117.797 -1.413 19354 589 1 1 . 1 1 118 118 ILE HA H 118 4.000 4.000 3.851 0.149 19354 590 1 1 . 1 1 118 118 ILE C C 118 176.577 176.577 176.457 0.120 19354 591 1 1 . 1 1 118 118 ILE CA C 118 63.166 63.166 62.924 0.242 19354 592 1 1 . 1 1 118 118 ILE CB C 118 37.781 37.781 36.841 0.940 19354 593 1 1 . 1 1 118 118 ILE H H 118 8.130 8.130 8.287 -0.157 19354 594 1 1 . 1 1 119 119 LEU N N 119 119.738 119.738 118.167 1.571 19354 595 1 1 . 1 1 119 119 LEU HA H 119 4.540 4.540 4.158 0.382 19354 596 1 1 . 1 1 119 119 LEU C C 119 178.346 178.346 177.407 0.939 19354 597 1 1 . 1 1 119 119 LEU CA C 119 54.697 54.697 53.970 0.727 19354 598 1 1 . 1 1 119 119 LEU CB C 119 42.872 42.872 40.521 2.351 19354 599 1 1 . 1 1 119 119 LEU H H 119 7.771 7.771 7.371 0.400 19354 600 1 1 . 1 1 120 120 TYR N N 120 121.945 121.945 116.682 5.263 19354 601 1 1 . 1 1 120 120 TYR HA H 120 4.125 4.125 4.256 -0.131 19354 602 1 1 . 1 1 120 120 TYR C C 120 176.169 176.169 175.493 0.676 19354 603 1 1 . 1 1 120 120 TYR CA C 120 59.682 59.682 59.133 0.549 19354 604 1 1 . 1 1 120 120 TYR CB C 120 37.180 37.180 37.917 -0.737 19354 605 1 1 . 1 1 120 120 TYR H H 120 7.886 7.886 7.202 0.684 19354 606 1 1 . 1 1 121 121 ASN N N 121 115.992 115.992 112.699 3.293 19354 607 1 1 . 1 1 121 121 ASN HA H 121 4.885 4.885 4.758 0.127 19354 608 1 1 . 1 1 121 121 ASN C C 121 175.612 175.612 174.085 1.527 19354 609 1 1 . 1 1 121 121 ASN CA C 121 52.670 52.670 53.164 -0.494 19354 610 1 1 . 1 1 121 121 ASN CB C 121 38.058 38.058 38.284 -0.226 19354 611 1 1 . 1 1 121 121 ASN H H 121 8.228 8.228 8.261 -0.033 19354 612 1 1 . 1 1 122 122 THR N N 122 109.094 109.094 114.976 -5.882 19354 613 1 1 . 1 1 122 122 THR HA H 122 4.682 4.682 4.569 0.113 19354 614 1 1 . 1 1 122 122 THR C C 122 175.844 175.844 174.835 1.009 19354 615 1 1 . 1 1 122 122 THR CA C 122 61.815 61.815 59.966 1.849 19354 616 1 1 . 1 1 122 122 THR CB C 122 72.484 72.484 70.163 2.321 19354 617 1 1 . 1 1 122 122 THR H H 122 7.649 7.649 7.521 0.128 19354 618 1 1 . 1 1 123 123 THR N N 123 112.067 112.067 121.285 -9.218 19354 619 1 1 . 1 1 123 123 THR HA H 123 4.026 4.026 4.582 -0.556 19354 620 1 1 . 1 1 123 123 THR C C 123 175.033 175.033 174.046 0.987 19354 621 1 1 . 1 1 123 123 THR CA C 123 63.174 63.174 61.448 1.726 19354 622 1 1 . 1 1 123 123 THR CB C 123 68.529 68.529 67.732 0.797 19354 623 1 1 . 1 1 123 123 THR H H 123 8.261 8.261 8.757 -0.496 19354 624 1 1 . 1 1 124 124 PHE N N 124 118.139 118.139 123.671 -5.532 19354 625 1 1 . 1 1 124 124 PHE HA H 124 4.153 4.153 4.241 -0.088 19354 626 1 1 . 1 1 124 124 PHE C C 124 175.398 175.398 174.418 0.980 19354 627 1 1 . 1 1 124 124 PHE CA C 124 59.890 59.890 58.230 1.660 19354 628 1 1 . 1 1 124 124 PHE CB C 124 39.668 39.668 40.521 -0.853 19354 629 1 1 . 1 1 124 124 PHE H H 124 7.764 7.764 7.837 -0.073 19354 630 1 1 . 1 1 125 125 PHE N N 125 118.447 118.447 117.111 1.336 19354 631 1 1 . 1 1 125 125 PHE HA H 125 4.662 4.662 4.912 -0.250 19354 632 1 1 . 1 1 125 125 PHE CA C 125 56.245 56.245 54.776 1.469 19354 633 1 1 . 1 1 125 125 PHE CB C 125 38.810 38.810 39.052 -0.242 19354 634 1 1 . 1 1 125 125 PHE H H 125 7.670 7.670 7.866 -0.196 19354 635 1 1 . 1 1 126 126 PRO HA H 126 4.398 4.398 4.304 0.094 19354 636 1 1 . 1 1 126 126 PRO CA C 126 62.432 62.432 65.350 -2.917 19354 637 1 1 . 1 1 126 126 PRO CB C 126 32.670 32.670 32.305 0.365 19354 638 1 1 . 1 1 127 127 LYS N N 127 118.753 118.753 118.532 0.221 19354 639 1 1 . 1 1 127 127 LYS HA H 127 3.580 3.580 4.098 -0.518 19354 640 1 1 . 1 1 127 127 LYS C C 127 177.977 177.977 178.868 -0.891 19354 641 1 1 . 1 1 127 127 LYS CA C 127 60.279 60.279 59.585 0.694 19354 642 1 1 . 1 1 127 127 LYS CB C 127 31.599 31.599 31.512 0.087 19354 643 1 1 . 1 1 127 127 LYS H H 127 8.565 8.565 8.325 0.240 19354 644 1 1 . 1 1 128 128 PHE N N 128 110.638 110.638 118.355 -7.717 19354 645 1 1 . 1 1 128 128 PHE HA H 128 4.481 4.481 4.655 -0.174 19354 646 1 1 . 1 1 128 128 PHE C C 128 173.946 173.946 176.383 -2.437 19354 647 1 1 . 1 1 128 128 PHE CA C 128 57.841 57.841 59.925 -2.084 19354 648 1 1 . 1 1 128 128 PHE CB C 128 36.807 36.807 39.445 -2.638 19354 649 1 1 . 1 1 128 128 PHE H H 128 6.795 6.795 7.974 -1.179 19354 650 1 1 . 1 1 129 129 LEU N N 129 119.653 119.653 119.786 -0.133 19354 651 1 1 . 1 1 129 129 LEU HA H 129 4.710 4.710 3.459 1.251 19354 652 1 1 . 1 1 129 129 LEU C C 129 175.398 175.398 177.507 -2.109 19354 653 1 1 . 1 1 129 129 LEU CA C 129 53.169 53.169 56.614 -3.445 19354 654 1 1 . 1 1 129 129 LEU CB C 129 44.901 44.901 42.341 2.560 19354 655 1 1 . 1 1 129 129 LEU H H 129 7.204 7.204 8.082 -0.878 19354 656 1 1 . 1 1 130 130 ARG N N 130 116.807 116.807 114.801 2.006 19354 657 1 1 . 1 1 130 130 ARG HA H 130 4.328 4.328 4.001 0.327 19354 658 1 1 . 1 1 130 130 ARG C C 130 177.099 177.099 174.972 2.127 19354 659 1 1 . 1 1 130 130 ARG CA C 130 55.250 55.250 56.723 -1.473 19354 660 1 1 . 1 1 130 130 ARG CB C 130 30.355 30.355 27.390 2.965 19354 661 1 1 . 1 1 130 130 ARG H H 130 7.090 7.090 8.114 -1.024 19354 662 1 1 . 1 1 131 131 CYS N N 131 117.271 117.271 117.100 0.171 19354 663 1 1 . 1 1 131 131 CYS HA H 131 4.588 4.588 4.676 -0.088 19354 664 1 1 . 1 1 131 131 CYS C C 131 175.022 175.022 173.492 1.530 19354 665 1 1 . 1 1 131 131 CYS CA C 131 54.449 54.449 56.743 -2.294 19354 666 1 1 . 1 1 131 131 CYS CB C 131 34.958 34.958 29.565 5.393 19354 667 1 1 . 1 1 131 131 CYS H H 131 8.210 8.210 8.023 0.187 19354 668 1 1 . 1 1 132 132 ASN N N 132 120.232 120.232 126.217 -5.985 19354 669 1 1 . 1 1 132 132 ASN HA H 132 4.811 4.811 4.713 0.098 19354 670 1 1 . 1 1 132 132 ASN C C 132 175.080 175.080 174.829 0.251 19354 671 1 1 . 1 1 132 132 ASN CA C 132 53.188 53.188 53.189 -0.001 19354 672 1 1 . 1 1 132 132 ASN CB C 132 40.003 40.003 39.302 0.701 19354 673 1 1 . 1 1 132 132 ASN H H 132 7.801 7.801 8.545 -0.744 19354 674 1 1 . 1 1 133 133 GLU N N 133 123.435 123.435 120.358 3.077 19354 675 1 1 . 1 1 133 133 GLU HA H 133 4.225 4.225 4.341 -0.116 19354 676 1 1 . 1 1 133 133 GLU C C 133 176.447 176.447 177.497 -1.050 19354 677 1 1 . 1 1 133 133 GLU CA C 133 57.928 57.928 56.990 0.938 19354 678 1 1 . 1 1 133 133 GLU CB C 133 29.822 29.822 30.356 -0.534 19354 679 1 1 . 1 1 133 133 GLU H H 133 9.086 9.086 8.745 0.341 19354 680 1 1 . 1 1 134 134 THR N N 134 113.403 113.403 113.432 -0.029 19354 681 1 1 . 1 1 134 134 THR HA H 134 3.964 3.964 4.175 -0.211 19354 682 1 1 . 1 1 134 134 THR C C 134 174.853 174.853 175.643 -0.790 19354 683 1 1 . 1 1 134 134 THR CA C 134 63.694 63.694 64.198 -0.504 19354 684 1 1 . 1 1 134 134 THR CB C 134 68.841 68.841 69.077 -0.236 19354 685 1 1 . 1 1 134 134 THR H H 134 8.067 8.067 8.072 -0.005 19354 686 1 1 . 1 1 135 135 LEU N N 135 121.377 121.377 116.485 4.892 19354 687 1 1 . 1 1 135 135 LEU HA H 135 3.964 3.964 4.634 -0.670 19354 688 1 1 . 1 1 135 135 LEU C C 135 176.215 176.215 175.089 1.126 19354 689 1 1 . 1 1 135 135 LEU CA C 135 55.656 55.656 53.813 1.843 19354 690 1 1 . 1 1 135 135 LEU CB C 135 42.291 42.291 43.961 -1.670 19354 691 1 1 . 1 1 135 135 LEU H H 135 7.448 7.448 7.299 0.149 19354 692 1 1 . 1 1 136 136 PHE N N 136 117.704 117.704 118.559 -0.855 19354 693 1 1 . 1 1 136 136 PHE HA H 136 5.202 5.202 4.983 0.219 19354 694 1 1 . 1 1 136 136 PHE C C 136 179.412 179.412 174.209 5.203 19354 695 1 1 . 1 1 136 136 PHE CA C 136 53.495 53.495 54.557 -1.062 19354 696 1 1 . 1 1 136 136 PHE CB C 136 39.248 39.248 39.250 -0.002 19354 697 1 1 . 1 1 136 136 PHE H H 136 7.542 7.542 8.647 -1.105 19354 698 1 1 . 1 1 137 137 PRO HA H 137 4.528 4.528 4.599 -0.071 19354 699 1 1 . 1 1 137 137 PRO CA C 137 62.949 62.949 63.477 -0.528 19354 700 1 1 . 1 1 137 137 PRO CB C 137 32.242 32.242 32.420 -0.178 19354 701 1 1 . 1 1 138 138 THR N N 138 114.025 114.025 110.050 3.975 19354 702 1 1 . 1 1 138 138 THR HA H 138 4.324 4.324 4.139 0.185 19354 703 1 1 . 1 1 138 138 THR C C 138 174.175 174.175 174.323 -0.148 19354 704 1 1 . 1 1 138 138 THR CA C 138 61.863 61.863 62.113 -0.250 19354 705 1 1 . 1 1 138 138 THR CB C 138 69.742 69.742 69.173 0.569 19354 706 1 1 . 1 1 138 138 THR H H 138 8.452 8.452 8.020 0.432 19354 707 1 2 . 1 1 13 13 GLY N N 13 110.400 110.400 111.139 -0.739 19354 708 1 2 . 1 1 13 13 GLY C C 13 173.560 173.560 171.644 1.916 19354 709 1 2 . 1 1 13 13 GLY CA C 13 45.111 45.111 45.061 0.050 19354 710 1 2 . 1 1 13 13 GLY H H 13 8.335 8.335 7.929 0.406 19354 711 1 2 . 1 1 14 14 LEU N N 14 121.222 121.222 122.199 -0.977 19354 712 1 2 . 1 1 14 14 LEU HA H 14 4.378 4.378 4.574 -0.196 19354 713 1 2 . 1 1 14 14 LEU C C 14 177.119 177.119 175.197 1.922 19354 714 1 2 . 1 1 14 14 LEU CA C 14 54.838 54.838 54.998 -0.160 19354 715 1 2 . 1 1 14 14 LEU CB C 14 42.429 42.429 44.710 -2.281 19354 716 1 2 . 1 1 14 14 LEU H H 14 7.915 7.915 7.724 0.191 19354 717 1 2 . 1 1 15 15 VAL N N 15 123.222 123.222 126.819 -3.597 19354 718 1 2 . 1 1 15 15 VAL HA H 15 4.335 4.335 3.992 0.343 19354 719 1 2 . 1 1 15 15 VAL C C 15 175.602 175.602 175.015 0.587 19354 720 1 2 . 1 1 15 15 VAL CA C 15 59.375 59.375 60.074 -0.699 19354 721 1 2 . 1 1 15 15 VAL CB C 15 33.197 33.197 32.694 0.503 19354 722 1 2 . 1 1 15 15 VAL H H 15 8.297 8.297 8.629 -0.332 19354 723 1 2 . 1 1 16 16 PRO HA H 16 4.379 4.379 4.445 -0.066 19354 724 1 2 . 1 1 16 16 PRO CA C 16 62.925 62.925 64.005 -1.080 19354 725 1 2 . 1 1 16 16 PRO CB C 16 32.043 32.043 32.064 -0.021 19354 726 1 2 . 1 1 17 17 ARG N N 17 122.742 122.742 116.955 5.787 19354 727 1 2 . 1 1 17 17 ARG HA H 17 4.219 4.219 4.135 0.084 19354 728 1 2 . 1 1 17 17 ARG C C 17 176.586 176.586 176.637 -0.051 19354 729 1 2 . 1 1 17 17 ARG CA C 17 55.479 55.479 56.691 -1.212 19354 730 1 2 . 1 1 17 17 ARG CB C 17 30.889 30.889 29.888 1.001 19354 731 1 2 . 1 1 17 17 ARG H H 17 8.469 8.469 8.300 0.169 19354 732 1 2 . 1 1 18 18 GLY N N 18 111.993 111.993 106.821 5.172 19354 733 1 2 . 1 1 18 18 GLY C C 18 174.453 174.453 173.537 0.916 19354 734 1 2 . 1 1 18 18 GLY CA C 18 45.670 45.670 45.064 0.606 19354 735 1 2 . 1 1 18 18 GLY H H 18 8.538 8.538 8.626 -0.088 19354 736 1 2 . 1 1 19 19 SER HA H 19 4.318 4.318 4.753 -0.435 19354 737 1 2 . 1 1 19 19 SER CA C 19 58.480 58.480 57.439 1.041 19354 738 1 2 . 1 1 19 19 SER CB C 19 63.535 63.535 65.698 -2.163 19354 739 1 2 . 1 1 20 20 HIS N N 20 120.039 120.039 116.664 3.375 19354 740 1 2 . 1 1 20 20 HIS HA H 20 4.678 4.678 4.939 -0.261 19354 741 1 2 . 1 1 20 20 HIS C C 20 174.263 174.263 174.162 0.101 19354 742 1 2 . 1 1 20 20 HIS CA C 20 55.889 55.889 55.788 0.101 19354 743 1 2 . 1 1 20 20 HIS CB C 20 32.027 32.027 29.041 2.986 19354 744 1 2 . 1 1 20 20 HIS H H 20 8.344 8.344 8.380 -0.036 19354 745 1 2 . 1 1 21 21 MET N N 21 120.453 120.453 120.452 0.001 19354 746 1 2 . 1 1 21 21 MET HA H 21 4.676 4.676 4.676 0.000 19354 747 1 2 . 1 1 21 21 MET C C 21 174.808 174.808 174.305 0.503 19354 748 1 2 . 1 1 21 21 MET CA C 21 54.232 54.232 56.456 -2.224 19354 749 1 2 . 1 1 21 21 MET CB C 21 32.377 32.377 33.516 -1.139 19354 750 1 2 . 1 1 21 21 MET H H 21 8.587 8.587 8.062 0.525 19354 751 1 2 . 1 1 22 22 VAL N N 22 112.794 112.794 116.258 -3.464 19354 752 1 2 . 1 1 22 22 VAL HA H 22 5.297 5.297 5.151 0.146 19354 753 1 2 . 1 1 22 22 VAL C C 22 175.218 175.218 174.582 0.636 19354 754 1 2 . 1 1 22 22 VAL CA C 22 57.885 57.885 58.850 -0.965 19354 755 1 2 . 1 1 22 22 VAL CB C 22 35.895 35.895 35.092 0.803 19354 756 1 2 . 1 1 22 22 VAL H H 22 7.805 7.805 7.458 0.347 19354 757 1 2 . 1 1 23 23 ARG N N 23 117.854 117.854 121.005 -3.151 19354 758 1 2 . 1 1 23 23 ARG HA H 23 4.578 4.578 4.670 -0.092 19354 759 1 2 . 1 1 23 23 ARG C C 23 174.128 174.128 174.617 -0.489 19354 760 1 2 . 1 1 23 23 ARG CA C 23 54.192 54.192 55.132 -0.940 19354 761 1 2 . 1 1 23 23 ARG CB C 23 34.757 34.757 33.165 1.592 19354 762 1 2 . 1 1 23 23 ARG H H 23 8.430 8.430 7.875 0.555 19354 763 1 2 . 1 1 24 24 ARG N N 24 124.928 124.928 123.098 1.830 19354 764 1 2 . 1 1 24 24 ARG HA H 24 4.619 4.619 4.496 0.123 19354 765 1 2 . 1 1 24 24 ARG C C 24 176.265 176.265 175.205 1.060 19354 766 1 2 . 1 1 24 24 ARG CA C 24 57.824 57.824 56.201 1.623 19354 767 1 2 . 1 1 24 24 ARG CB C 24 29.913 29.913 28.316 1.597 19354 768 1 2 . 1 1 24 24 ARG H H 24 8.569 8.569 8.669 -0.100 19354 769 1 2 . 1 1 25 25 ALA N N 25 127.390 127.390 123.906 3.484 19354 770 1 2 . 1 1 25 25 ALA HA H 25 4.379 4.379 4.578 -0.199 19354 771 1 2 . 1 1 25 25 ALA C C 25 174.173 174.173 176.997 -2.824 19354 772 1 2 . 1 1 25 25 ALA CA C 25 51.382 51.382 50.849 0.533 19354 773 1 2 . 1 1 25 25 ALA CB C 25 23.050 23.050 20.947 2.103 19354 774 1 2 . 1 1 25 25 ALA H H 25 8.082 8.082 7.985 0.097 19354 775 1 2 . 1 1 26 26 ARG N N 26 116.820 116.820 119.924 -3.104 19354 776 1 2 . 1 1 26 26 ARG HA H 26 4.692 4.692 4.167 0.525 19354 777 1 2 . 1 1 26 26 ARG C C 26 177.847 177.847 175.257 2.590 19354 778 1 2 . 1 1 26 26 ARG CA C 26 55.271 55.271 57.468 -2.196 19354 779 1 2 . 1 1 26 26 ARG CB C 26 31.215 31.215 31.108 0.107 19354 780 1 2 . 1 1 26 26 ARG H H 26 8.133 8.133 8.541 -0.408 19354 781 1 2 . 1 1 27 27 CYS N N 27 126.567 126.567 118.792 7.775 19354 782 1 2 . 1 1 27 27 CYS HA H 27 5.732 5.732 5.013 0.719 19354 783 1 2 . 1 1 27 27 CYS C C 27 175.288 175.288 173.981 1.307 19354 784 1 2 . 1 1 27 27 CYS CA C 27 51.785 51.785 57.717 -5.932 19354 785 1 2 . 1 1 27 27 CYS CB C 27 38.246 38.246 29.624 8.622 19354 786 1 2 . 1 1 27 27 CYS H H 27 9.709 9.709 8.335 1.374 19354 787 1 2 . 1 1 28 28 TYR N N 28 120.309 120.309 121.762 -1.453 19354 788 1 2 . 1 1 28 28 TYR HA H 28 5.079 5.079 5.133 -0.054 19354 789 1 2 . 1 1 28 28 TYR CA C 28 54.951 54.951 54.178 0.773 19354 790 1 2 . 1 1 28 28 TYR CB C 28 39.807 39.807 38.821 0.986 19354 791 1 2 . 1 1 28 28 TYR H H 28 8.870 8.870 8.899 -0.029 19354 792 1 2 . 1 1 29 29 PRO HA H 29 4.836 4.836 4.906 -0.070 19354 793 1 2 . 1 1 29 29 PRO CA C 29 61.773 61.773 62.693 -0.920 19354 794 1 2 . 1 1 29 29 PRO CB C 29 31.173 31.173 32.175 -1.002 19354 795 1 2 . 1 1 30 30 THR N N 30 115.177 115.177 120.563 -5.386 19354 796 1 2 . 1 1 30 30 THR HA H 30 4.253 4.253 4.237 0.016 19354 797 1 2 . 1 1 30 30 THR C C 30 173.688 173.688 175.198 -1.510 19354 798 1 2 . 1 1 30 30 THR CA C 30 61.324 61.324 64.707 -3.383 19354 799 1 2 . 1 1 30 30 THR CB C 30 70.191 70.191 69.275 0.916 19354 800 1 2 . 1 1 30 30 THR H H 30 7.978 7.978 8.711 -0.733 19354 801 1 2 . 1 1 31 31 SER N N 31 116.822 116.822 114.021 2.801 19354 802 1 2 . 1 1 31 31 SER HA H 31 4.702 4.702 4.620 0.082 19354 803 1 2 . 1 1 31 31 SER C C 31 175.079 175.079 175.100 -0.021 19354 804 1 2 . 1 1 31 31 SER CA C 31 57.057 57.057 56.929 0.128 19354 805 1 2 . 1 1 31 31 SER CB C 31 66.020 66.020 65.009 1.011 19354 806 1 2 . 1 1 31 31 SER H H 31 8.451 8.451 8.094 0.357 19354 807 1 2 . 1 1 32 32 ASN N N 32 118.803 118.803 120.534 -1.731 19354 808 1 2 . 1 1 32 32 ASN HA H 32 4.385 4.385 4.578 -0.193 19354 809 1 2 . 1 1 32 32 ASN C C 32 175.705 175.705 175.584 0.121 19354 810 1 2 . 1 1 32 32 ASN CA C 32 55.564 55.564 55.761 -0.197 19354 811 1 2 . 1 1 32 32 ASN CB C 32 37.637 37.637 38.578 -0.940 19354 812 1 2 . 1 1 32 32 ASN H H 32 8.802 8.802 8.726 0.076 19354 813 1 2 . 1 1 33 33 ALA N N 33 118.571 118.571 120.883 -2.312 19354 814 1 2 . 1 1 33 33 ALA HA H 33 4.262 4.262 4.323 -0.061 19354 815 1 2 . 1 1 33 33 ALA C C 33 179.229 179.229 176.731 2.498 19354 816 1 2 . 1 1 33 33 ALA CA C 33 53.087 53.087 53.025 0.062 19354 817 1 2 . 1 1 33 33 ALA CB C 33 19.563 19.563 19.339 0.224 19354 818 1 2 . 1 1 33 33 ALA H H 33 8.004 8.004 8.189 -0.185 19354 819 1 2 . 1 1 34 34 THR N N 34 106.312 106.312 111.161 -4.849 19354 820 1 2 . 1 1 34 34 THR HA H 34 4.581 4.581 4.299 0.282 19354 821 1 2 . 1 1 34 34 THR C C 34 175.334 175.334 172.640 2.694 19354 822 1 2 . 1 1 34 34 THR CA C 34 60.586 60.586 61.861 -1.275 19354 823 1 2 . 1 1 34 34 THR CB C 34 70.195 70.195 69.653 0.542 19354 824 1 2 . 1 1 34 34 THR H H 34 7.551 7.551 7.537 0.014 19354 825 1 2 . 1 1 35 35 ASN N N 35 122.599 122.599 123.094 -0.495 19354 826 1 2 . 1 1 35 35 ASN HA H 35 4.528 4.528 4.634 -0.106 19354 827 1 2 . 1 1 35 35 ASN C C 35 174.221 174.221 174.145 0.076 19354 828 1 2 . 1 1 35 35 ASN CA C 35 52.790 52.790 53.893 -1.103 19354 829 1 2 . 1 1 35 35 ASN CB C 35 36.768 36.768 39.790 -3.022 19354 830 1 2 . 1 1 35 35 ASN H H 35 7.897 7.897 8.488 -0.591 19354 831 1 2 . 1 1 36 36 THR N N 36 107.151 107.151 117.045 -9.894 19354 832 1 2 . 1 1 36 36 THR HA H 36 4.979 4.979 4.413 0.566 19354 833 1 2 . 1 1 36 36 THR C C 36 173.651 173.651 173.102 0.549 19354 834 1 2 . 1 1 36 36 THR CA C 36 59.011 59.011 61.606 -2.595 19354 835 1 2 . 1 1 36 36 THR CB C 36 72.745 72.745 71.563 1.182 19354 836 1 2 . 1 1 36 36 THR H H 36 7.490 7.490 8.307 -0.817 19354 837 1 2 . 1 1 37 37 CYS N N 37 118.809 118.809 124.840 -6.031 19354 838 1 2 . 1 1 37 37 CYS HA H 37 4.095 4.095 4.590 -0.495 19354 839 1 2 . 1 1 37 37 CYS C C 37 173.688 173.688 173.295 0.393 19354 840 1 2 . 1 1 37 37 CYS CA C 37 55.634 55.634 58.627 -2.993 19354 841 1 2 . 1 1 37 37 CYS CB C 37 45.854 45.854 27.634 18.220 19354 842 1 2 . 1 1 37 37 CYS H H 37 8.632 8.632 8.441 0.191 19354 843 1 2 . 1 1 38 38 PHE N N 38 128.190 128.190 124.410 3.780 19354 844 1 2 . 1 1 38 38 PHE HA H 38 4.275 4.275 4.217 0.058 19354 845 1 2 . 1 1 38 38 PHE C C 38 176.261 176.261 176.828 -0.567 19354 846 1 2 . 1 1 38 38 PHE CA C 38 59.067 59.067 57.737 1.330 19354 847 1 2 . 1 1 38 38 PHE CB C 38 36.576 36.576 37.345 -0.769 19354 848 1 2 . 1 1 38 38 PHE H H 38 9.018 9.018 8.870 0.148 19354 849 1 2 . 1 1 39 39 GLY N N 39 104.504 104.504 107.339 -2.835 19354 850 1 2 . 1 1 39 39 GLY C C 39 174.173 174.173 174.749 -0.576 19354 851 1 2 . 1 1 39 39 GLY CA C 39 45.112 45.112 45.367 -0.255 19354 852 1 2 . 1 1 39 39 GLY H H 39 8.566 8.566 8.549 0.017 19354 853 1 2 . 1 1 40 40 SER N N 40 116.201 116.201 121.390 -5.189 19354 854 1 2 . 1 1 40 40 SER HA H 40 4.529 4.529 4.377 0.152 19354 855 1 2 . 1 1 40 40 SER C C 40 173.873 173.873 174.345 -0.472 19354 856 1 2 . 1 1 40 40 SER CA C 40 57.436 57.436 58.827 -1.391 19354 857 1 2 . 1 1 40 40 SER CB C 40 63.718 63.718 63.348 0.370 19354 858 1 2 . 1 1 40 40 SER H H 40 7.533 7.533 8.133 -0.600 19354 859 1 2 . 1 1 41 41 LYS N N 41 127.456 127.456 126.518 0.938 19354 860 1 2 . 1 1 41 41 LYS HA H 41 4.056 4.056 4.079 -0.023 19354 861 1 2 . 1 1 41 41 LYS C C 41 176.632 176.632 176.184 0.448 19354 862 1 2 . 1 1 41 41 LYS CA C 41 56.409 56.409 56.137 0.272 19354 863 1 2 . 1 1 41 41 LYS CB C 41 32.169 32.169 32.875 -0.706 19354 864 1 2 . 1 1 41 41 LYS H H 41 8.768 8.768 8.344 0.424 19354 865 1 2 . 1 1 42 42 LEU N N 42 128.016 128.016 124.023 3.993 19354 866 1 2 . 1 1 42 42 LEU HA H 42 4.120 4.120 4.302 -0.182 19354 867 1 2 . 1 1 42 42 LEU CA C 42 52.010 52.010 52.067 -0.057 19354 868 1 2 . 1 1 42 42 LEU CB C 42 40.680 40.680 40.008 0.672 19354 869 1 2 . 1 1 42 42 LEU H H 42 8.304 8.304 8.190 0.114 19354 870 1 2 . 1 1 43 43 PRO HA H 43 4.453 4.453 4.197 0.256 19354 871 1 2 . 1 1 43 43 PRO CA C 43 62.807 62.807 64.088 -1.281 19354 872 1 2 . 1 1 43 43 PRO CB C 43 29.625 29.625 32.007 -2.381 19354 873 1 2 . 1 1 44 44 TYR N N 44 116.871 116.871 113.632 3.239 19354 874 1 2 . 1 1 44 44 TYR HA H 44 4.689 4.689 4.737 -0.048 19354 875 1 2 . 1 1 44 44 TYR C C 44 175.239 175.239 174.952 0.287 19354 876 1 2 . 1 1 44 44 TYR CA C 44 53.718 53.718 55.723 -2.005 19354 877 1 2 . 1 1 44 44 TYR CB C 44 38.637 38.637 40.158 -1.521 19354 878 1 2 . 1 1 44 44 TYR H H 44 6.311 6.311 6.579 -0.268 19354 879 1 2 . 1 1 45 45 GLU N N 45 118.221 118.221 117.671 0.550 19354 880 1 2 . 1 1 45 45 GLU HA H 45 4.138 4.138 4.583 -0.445 19354 881 1 2 . 1 1 45 45 GLU C C 45 176.282 176.282 174.562 1.720 19354 882 1 2 . 1 1 45 45 GLU CA C 45 57.502 57.502 56.112 1.390 19354 883 1 2 . 1 1 45 45 GLU CB C 45 31.105 31.105 30.744 0.361 19354 884 1 2 . 1 1 45 45 GLU H H 45 8.591 8.591 8.976 -0.385 19354 885 1 2 . 1 1 46 46 LEU N N 46 119.826 119.826 119.734 0.092 19354 886 1 2 . 1 1 46 46 LEU HA H 46 4.974 4.974 5.374 -0.400 19354 887 1 2 . 1 1 46 46 LEU C C 46 175.420 175.420 175.715 -0.295 19354 888 1 2 . 1 1 46 46 LEU CA C 46 53.202 53.202 53.269 -0.067 19354 889 1 2 . 1 1 46 46 LEU CB C 46 43.587 43.587 45.949 -2.362 19354 890 1 2 . 1 1 46 46 LEU H H 46 8.176 8.176 7.685 0.491 19354 891 1 2 . 1 1 47 47 SER N N 47 111.561 111.561 112.981 -1.420 19354 892 1 2 . 1 1 47 47 SER HA H 47 5.020 5.020 4.524 0.496 19354 893 1 2 . 1 1 47 47 SER C C 47 173.833 173.833 172.002 1.831 19354 894 1 2 . 1 1 47 47 SER CA C 47 53.006 53.006 56.850 -3.844 19354 895 1 2 . 1 1 47 47 SER CB C 47 64.691 64.691 64.890 -0.199 19354 896 1 2 . 1 1 47 47 SER H H 47 7.924 7.924 8.456 -0.532 19354 897 1 2 . 1 1 48 48 SER N N 48 111.459 111.459 119.649 -8.190 19354 898 1 2 . 1 1 48 48 SER HA H 48 4.841 4.841 4.662 0.179 19354 899 1 2 . 1 1 48 48 SER C C 48 175.602 175.602 175.061 0.541 19354 900 1 2 . 1 1 48 48 SER CA C 48 57.388 57.388 55.448 1.940 19354 901 1 2 . 1 1 48 48 SER CB C 48 66.333 66.333 63.961 2.372 19354 902 1 2 . 1 1 48 48 SER H H 48 8.628 8.628 8.541 0.087 19354 903 1 2 . 1 1 49 49 LEU N N 49 128.995 128.995 131.082 -2.087 19354 904 1 2 . 1 1 49 49 LEU HA H 49 4.383 4.383 4.392 -0.009 19354 905 1 2 . 1 1 49 49 LEU C C 49 179.571 179.571 178.208 1.363 19354 906 1 2 . 1 1 49 49 LEU CA C 49 56.032 56.032 57.073 -1.041 19354 907 1 2 . 1 1 49 49 LEU CB C 49 41.904 41.904 41.505 0.399 19354 908 1 2 . 1 1 49 49 LEU H H 49 9.519 9.519 9.337 0.182 19354 909 1 2 . 1 1 50 50 ASP N N 50 115.013 115.013 119.605 -4.592 19354 910 1 2 . 1 1 50 50 ASP HA H 50 4.168 4.168 4.377 -0.209 19354 911 1 2 . 1 1 50 50 ASP C C 50 176.486 176.486 177.475 -0.989 19354 912 1 2 . 1 1 50 50 ASP CA C 50 58.352 58.352 56.528 1.824 19354 913 1 2 . 1 1 50 50 ASP CB C 50 41.259 41.259 40.661 0.598 19354 914 1 2 . 1 1 50 50 ASP H H 50 8.191 8.191 7.751 0.440 19354 915 1 2 . 1 1 51 51 LEU N N 51 118.298 118.298 118.245 0.053 19354 916 1 2 . 1 1 51 51 LEU HA H 51 4.329 4.329 4.120 0.209 19354 917 1 2 . 1 1 51 51 LEU C C 51 175.556 175.556 176.827 -1.271 19354 918 1 2 . 1 1 51 51 LEU CA C 51 54.483 54.483 56.752 -2.269 19354 919 1 2 . 1 1 51 51 LEU CB C 51 39.219 39.219 42.644 -3.425 19354 920 1 2 . 1 1 51 51 LEU H H 51 8.732 8.732 7.732 1.000 19354 921 1 2 . 1 1 52 52 THR N N 52 106.427 106.427 108.900 -2.473 19354 922 1 2 . 1 1 52 52 THR HA H 52 2.784 2.784 4.433 -1.649 19354 923 1 2 . 1 1 52 52 THR C C 52 172.812 172.812 173.192 -0.380 19354 924 1 2 . 1 1 52 52 THR CA C 52 58.759 58.759 59.840 -1.081 19354 925 1 2 . 1 1 52 52 THR CB C 52 71.985 71.985 70.832 1.153 19354 926 1 2 . 1 1 52 52 THR H H 52 7.574 7.574 7.522 0.052 19354 927 1 2 . 1 1 53 53 ASP HA H 53 4.398 4.398 4.665 -0.267 19354 928 1 2 . 1 1 53 53 ASP CA C 53 52.757 52.757 52.558 0.199 19354 929 1 2 . 1 1 53 53 ASP CB C 53 40.737 40.737 40.089 0.648 19354 930 1 2 . 1 1 54 54 PHE N N 54 117.929 117.929 117.347 0.582 19354 931 1 2 . 1 1 54 54 PHE HA H 54 4.498 4.498 4.795 -0.297 19354 932 1 2 . 1 1 54 54 PHE C C 54 176.169 176.169 175.764 0.405 19354 933 1 2 . 1 1 54 54 PHE CA C 54 57.477 57.477 56.726 0.751 19354 934 1 2 . 1 1 54 54 PHE CB C 54 39.270 39.270 41.251 -1.981 19354 935 1 2 . 1 1 54 54 PHE H H 54 7.575 7.575 7.488 0.087 19354 936 1 2 . 1 1 55 55 HIS N N 55 115.333 115.333 116.485 -1.152 19354 937 1 2 . 1 1 55 55 HIS HA H 55 4.585 4.585 4.871 -0.286 19354 938 1 2 . 1 1 55 55 HIS C C 55 175.080 175.080 174.179 0.901 19354 939 1 2 . 1 1 55 55 HIS CA C 55 56.439 56.439 56.010 0.429 19354 940 1 2 . 1 1 55 55 HIS CB C 55 31.104 31.104 31.927 -0.823 19354 941 1 2 . 1 1 55 55 HIS H H 55 9.230 9.230 8.798 0.432 19354 942 1 2 . 1 1 56 56 THR N N 56 106.891 106.891 112.027 -5.136 19354 943 1 2 . 1 1 56 56 THR HA H 56 4.528 4.528 4.275 0.253 19354 944 1 2 . 1 1 56 56 THR C C 56 173.696 173.696 174.177 -0.481 19354 945 1 2 . 1 1 56 56 THR CA C 56 58.725 58.725 61.071 -2.346 19354 946 1 2 . 1 1 56 56 THR CB C 56 72.851 72.851 69.819 3.032 19354 947 1 2 . 1 1 56 56 THR H H 56 7.343 7.343 7.394 -0.051 19354 948 1 2 . 1 1 57 57 GLU N N 57 121.798 121.798 124.017 -2.219 19354 949 1 2 . 1 1 57 57 GLU HA H 57 3.611 3.611 3.914 -0.303 19354 950 1 2 . 1 1 57 57 GLU C C 57 178.417 178.417 178.127 0.290 19354 951 1 2 . 1 1 57 57 GLU CA C 57 59.380 59.380 60.274 -0.894 19354 952 1 2 . 1 1 57 57 GLU CB C 57 29.873 29.873 29.604 0.269 19354 953 1 2 . 1 1 57 57 GLU H H 57 8.841 8.841 8.770 0.071 19354 954 1 2 . 1 1 58 58 LYS N N 58 121.091 121.091 118.476 2.615 19354 955 1 2 . 1 1 58 58 LYS HA H 58 3.903 3.903 3.880 0.023 19354 956 1 2 . 1 1 58 58 LYS C C 58 177.745 177.745 178.748 -1.003 19354 957 1 2 . 1 1 58 58 LYS CA C 58 59.470 59.470 59.197 0.273 19354 958 1 2 . 1 1 58 58 LYS CB C 58 32.130 32.130 31.828 0.302 19354 959 1 2 . 1 1 58 58 LYS H H 58 8.307 8.307 7.749 0.558 19354 960 1 2 . 1 1 59 59 GLU N N 59 117.790 117.790 119.611 -1.821 19354 961 1 2 . 1 1 59 59 GLU HA H 59 3.852 3.852 3.935 -0.083 19354 962 1 2 . 1 1 59 59 GLU C C 59 178.051 178.051 178.182 -0.131 19354 963 1 2 . 1 1 59 59 GLU CA C 59 59.094 59.094 58.960 0.134 19354 964 1 2 . 1 1 59 59 GLU CB C 59 30.468 30.468 29.319 1.149 19354 965 1 2 . 1 1 59 59 GLU H H 59 7.537 7.537 7.616 -0.079 19354 966 1 2 . 1 1 60 60 LEU N N 60 118.763 118.763 120.813 -2.050 19354 967 1 2 . 1 1 60 60 LEU HA H 60 3.211 3.211 3.039 0.172 19354 968 1 2 . 1 1 60 60 LEU C C 60 178.070 178.070 178.203 -0.133 19354 969 1 2 . 1 1 60 60 LEU CA C 60 59.007 59.007 57.081 1.926 19354 970 1 2 . 1 1 60 60 LEU CB C 60 42.750 42.750 41.862 0.888 19354 971 1 2 . 1 1 60 60 LEU H H 60 7.321 7.321 7.168 0.153 19354 972 1 2 . 1 1 61 61 ASN N N 61 116.987 116.987 116.240 0.747 19354 973 1 2 . 1 1 61 61 ASN HA H 61 4.127 4.127 4.258 -0.131 19354 974 1 2 . 1 1 61 61 ASN C C 61 177.689 177.689 177.323 0.366 19354 975 1 2 . 1 1 61 61 ASN CA C 61 57.310 57.310 56.059 1.251 19354 976 1 2 . 1 1 61 61 ASN CB C 61 39.288 39.288 38.618 0.669 19354 977 1 2 . 1 1 61 61 ASN H H 61 8.335 8.335 7.919 0.416 19354 978 1 2 . 1 1 62 62 ASP N N 62 120.935 120.935 120.119 0.816 19354 979 1 2 . 1 1 62 62 ASP HA H 62 4.306 4.306 4.384 -0.078 19354 980 1 2 . 1 1 62 62 ASP C C 62 178.868 178.868 178.504 0.364 19354 981 1 2 . 1 1 62 62 ASP CA C 62 57.510 57.510 56.635 0.875 19354 982 1 2 . 1 1 62 62 ASP CB C 62 39.596 39.596 41.158 -1.562 19354 983 1 2 . 1 1 62 62 ASP H H 62 8.376 8.376 7.839 0.537 19354 984 1 2 . 1 1 63 63 LYS N N 63 119.626 119.626 120.368 -0.742 19354 985 1 2 . 1 1 63 63 LYS HA H 63 4.168 4.168 4.108 0.060 19354 986 1 2 . 1 1 63 63 LYS C C 63 179.458 179.458 178.812 0.646 19354 987 1 2 . 1 1 63 63 LYS CA C 63 55.698 55.698 58.835 -3.137 19354 988 1 2 . 1 1 63 63 LYS CB C 63 31.082 31.082 32.174 -1.092 19354 989 1 2 . 1 1 63 63 LYS H H 63 7.748 7.748 7.685 0.063 19354 990 1 2 . 1 1 64 64 LEU N N 64 120.255 120.255 120.258 -0.003 19354 991 1 2 . 1 1 64 64 LEU HA H 64 3.688 3.688 4.096 -0.408 19354 992 1 2 . 1 1 64 64 LEU C C 64 178.732 178.732 178.413 0.319 19354 993 1 2 . 1 1 64 64 LEU CA C 64 57.722 57.722 58.824 -1.102 19354 994 1 2 . 1 1 64 64 LEU CB C 64 41.236 41.236 41.778 -0.542 19354 995 1 2 . 1 1 64 64 LEU H H 64 8.221 8.221 7.555 0.666 19354 996 1 2 . 1 1 65 65 ASN N N 65 113.630 113.630 116.664 -3.034 19354 997 1 2 . 1 1 65 65 ASN HA H 65 4.580 4.580 4.183 0.397 19354 998 1 2 . 1 1 65 65 ASN C C 65 178.394 178.394 177.578 0.816 19354 999 1 2 . 1 1 65 65 ASN CA C 65 55.628 55.628 56.320 -0.692 19354 1000 1 2 . 1 1 65 65 ASN CB C 65 38.269 38.269 37.837 0.432 19354 1001 1 2 . 1 1 65 65 ASN H H 65 7.482 7.482 7.779 -0.297 19354 1002 1 2 . 1 1 66 66 ASP N N 66 120.683 120.683 120.197 0.486 19354 1003 1 2 . 1 1 66 66 ASP HA H 66 4.482 4.482 4.460 0.022 19354 1004 1 2 . 1 1 66 66 ASP C C 66 179.095 179.095 178.882 0.213 19354 1005 1 2 . 1 1 66 66 ASP CA C 66 56.623 56.623 57.607 -0.984 19354 1006 1 2 . 1 1 66 66 ASP CB C 66 39.883 39.883 41.224 -1.341 19354 1007 1 2 . 1 1 66 66 ASP H H 66 7.834 7.834 8.184 -0.350 19354 1008 1 2 . 1 1 67 67 TYR N N 67 116.512 116.512 120.282 -3.770 19354 1009 1 2 . 1 1 67 67 TYR HA H 67 3.984 3.984 4.413 -0.429 19354 1010 1 2 . 1 1 67 67 TYR C C 67 176.554 176.554 177.981 -1.427 19354 1011 1 2 . 1 1 67 67 TYR CA C 67 62.142 62.142 60.602 1.540 19354 1012 1 2 . 1 1 67 67 TYR CB C 67 37.436 37.436 38.187 -0.750 19354 1013 1 2 . 1 1 67 67 TYR H H 67 8.132 8.132 7.800 0.332 19354 1014 1 2 . 1 1 68 68 TYR N N 68 118.786 118.786 120.486 -1.700 19354 1015 1 2 . 1 1 68 68 TYR HA H 68 3.632 3.632 3.154 0.478 19354 1016 1 2 . 1 1 68 68 TYR C C 68 177.915 177.915 177.696 0.219 19354 1017 1 2 . 1 1 68 68 TYR CA C 68 61.395 61.395 61.835 -0.440 19354 1018 1 2 . 1 1 68 68 TYR CB C 68 37.345 37.345 37.335 0.010 19354 1019 1 2 . 1 1 68 68 TYR H H 68 7.558 7.558 8.355 -0.797 19354 1020 1 2 . 1 1 69 69 ALA N N 69 120.715 120.715 121.714 -0.999 19354 1021 1 2 . 1 1 69 69 ALA HA H 69 3.935 3.935 3.942 -0.007 19354 1022 1 2 . 1 1 69 69 ALA C C 69 179.390 179.390 178.960 0.430 19354 1023 1 2 . 1 1 69 69 ALA CA C 69 54.015 54.015 54.725 -0.710 19354 1024 1 2 . 1 1 69 69 ALA CB C 69 18.529 18.529 18.176 0.353 19354 1025 1 2 . 1 1 69 69 ALA H H 69 7.453 7.453 7.816 -0.363 19354 1026 1 2 . 1 1 70 70 LEU N N 70 117.212 117.212 119.208 -1.996 19354 1027 1 2 . 1 1 70 70 LEU HA H 70 3.765 3.765 3.934 -0.169 19354 1028 1 2 . 1 1 70 70 LEU C C 70 177.280 177.280 177.980 -0.700 19354 1029 1 2 . 1 1 70 70 LEU CA C 70 56.634 56.634 56.709 -0.075 19354 1030 1 2 . 1 1 70 70 LEU CB C 70 41.045 41.045 41.727 -0.682 19354 1031 1 2 . 1 1 70 70 LEU H H 70 7.764 7.764 8.106 -0.342 19354 1032 1 2 . 1 1 71 71 LYS N N 71 118.756 118.756 118.930 -0.174 19354 1033 1 2 . 1 1 71 71 LYS HA H 71 3.039 3.039 3.499 -0.460 19354 1034 1 2 . 1 1 71 71 LYS C C 71 177.121 177.121 177.755 -0.634 19354 1035 1 2 . 1 1 71 71 LYS CA C 71 58.865 58.865 58.721 0.144 19354 1036 1 2 . 1 1 71 71 LYS CB C 71 31.247 31.247 30.989 0.258 19354 1037 1 2 . 1 1 71 71 LYS H H 71 7.001 7.001 7.991 -0.990 19354 1038 1 2 . 1 1 72 72 HIS N N 72 113.331 113.331 117.735 -4.404 19354 1039 1 2 . 1 1 72 72 HIS HA H 72 4.304 4.304 4.295 0.009 19354 1040 1 2 . 1 1 72 72 HIS C C 72 174.232 174.232 175.875 -1.643 19354 1041 1 2 . 1 1 72 72 HIS CA C 72 57.245 57.245 58.419 -1.174 19354 1042 1 2 . 1 1 72 72 HIS CB C 72 30.221 30.221 30.491 -0.270 19354 1043 1 2 . 1 1 72 72 HIS H H 72 6.973 6.973 7.635 -0.662 19354 1044 1 2 . 1 1 73 73 VAL N N 73 121.486 121.486 120.336 1.150 19354 1045 1 2 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.457 0.074 19354 1046 1 2 . 1 1 73 73 VAL CA C 73 59.159 59.159 59.485 -0.326 19354 1047 1 2 . 1 1 73 73 VAL CB C 73 30.604 30.604 33.101 -2.497 19354 1048 1 2 . 1 1 73 73 VAL H H 73 7.821 7.821 7.941 -0.120 19354 1049 1 2 . 1 1 74 74 PRO HA H 74 4.070 4.070 4.651 -0.581 19354 1050 1 2 . 1 1 74 74 PRO CA C 74 66.637 66.637 65.013 1.624 19354 1051 1 2 . 1 1 74 74 PRO CB C 74 32.212 32.212 32.056 0.156 19354 1052 1 2 . 1 1 75 75 LYS N N 75 116.832 116.832 119.278 -2.446 19354 1053 1 2 . 1 1 75 75 LYS HA H 75 4.099 4.099 4.167 -0.068 19354 1054 1 2 . 1 1 75 75 LYS C C 75 180.048 180.048 178.059 1.989 19354 1055 1 2 . 1 1 75 75 LYS CA C 75 59.398 59.398 58.991 0.407 19354 1056 1 2 . 1 1 75 75 LYS CB C 75 31.296 31.296 31.628 -0.332 19354 1057 1 2 . 1 1 75 75 LYS H H 75 9.234 9.234 8.691 0.543 19354 1058 1 2 . 1 1 76 76 CYS N N 76 116.333 116.333 118.288 -1.955 19354 1059 1 2 . 1 1 76 76 CYS HA H 76 4.320 4.320 4.635 -0.315 19354 1060 1 2 . 1 1 76 76 CYS C C 76 175.012 175.012 176.452 -1.440 19354 1061 1 2 . 1 1 76 76 CYS CA C 76 58.297 58.297 60.338 -2.041 19354 1062 1 2 . 1 1 76 76 CYS CB C 76 38.803 38.803 27.510 11.293 19354 1063 1 2 . 1 1 76 76 CYS H H 76 7.496 7.496 7.839 -0.343 19354 1064 1 2 . 1 1 77 77 TRP N N 77 119.987 119.987 122.902 -2.915 19354 1065 1 2 . 1 1 77 77 TRP HA H 77 4.452 4.452 4.306 0.146 19354 1066 1 2 . 1 1 77 77 TRP C C 77 177.462 177.462 177.841 -0.379 19354 1067 1 2 . 1 1 77 77 TRP CA C 77 58.821 58.821 59.937 -1.116 19354 1068 1 2 . 1 1 77 77 TRP CB C 77 30.425 30.425 29.271 1.154 19354 1069 1 2 . 1 1 77 77 TRP H H 77 8.254 8.254 8.624 -0.370 19354 1070 1 2 . 1 1 78 78 ALA N N 78 116.093 116.093 119.349 -3.256 19354 1071 1 2 . 1 1 78 78 ALA HA H 78 3.736 3.736 3.519 0.217 19354 1072 1 2 . 1 1 78 78 ALA C C 78 178.845 178.845 178.967 -0.122 19354 1073 1 2 . 1 1 78 78 ALA CA C 78 54.188 54.188 53.890 0.298 19354 1074 1 2 . 1 1 78 78 ALA CB C 78 18.323 18.323 17.728 0.595 19354 1075 1 2 . 1 1 78 78 ALA H H 78 7.968 7.968 7.880 0.088 19354 1076 1 2 . 1 1 79 79 ALA N N 79 116.351 116.351 120.823 -4.472 19354 1077 1 2 . 1 1 79 79 ALA HA H 79 4.147 4.147 4.181 -0.034 19354 1078 1 2 . 1 1 79 79 ALA C C 79 178.414 178.414 177.908 0.506 19354 1079 1 2 . 1 1 79 79 ALA CA C 79 53.243 53.243 54.091 -0.848 19354 1080 1 2 . 1 1 79 79 ALA CB C 79 19.832 19.832 19.151 0.681 19354 1081 1 2 . 1 1 79 79 ALA H H 79 6.929 6.929 7.424 -0.495 19354 1082 1 2 . 1 1 80 80 ILE N N 80 115.150 115.150 117.154 -2.004 19354 1083 1 2 . 1 1 80 80 ILE HA H 80 4.218 4.218 4.219 -0.001 19354 1084 1 2 . 1 1 80 80 ILE C C 80 176.350 176.350 176.154 0.196 19354 1085 1 2 . 1 1 80 80 ILE CA C 80 62.069 62.069 59.795 2.274 19354 1086 1 2 . 1 1 80 80 ILE CB C 80 39.375 39.375 38.007 1.368 19354 1087 1 2 . 1 1 80 80 ILE H H 80 8.695 8.695 7.596 1.099 19354 1088 1 2 . 1 1 81 81 GLN N N 81 122.564 122.564 121.628 0.936 19354 1089 1 2 . 1 1 81 81 GLN HA H 81 3.332 3.332 3.983 -0.651 19354 1090 1 2 . 1 1 81 81 GLN C C 81 173.470 173.470 175.306 -1.836 19354 1091 1 2 . 1 1 81 81 GLN CA C 81 61.829 61.829 61.047 0.782 19354 1092 1 2 . 1 1 81 81 GLN CB C 81 25.973 25.973 26.851 -0.878 19354 1093 1 2 . 1 1 81 81 GLN H H 81 7.315 7.315 7.351 -0.036 19354 1094 1 2 . 1 1 82 82 PRO HA H 82 4.076 4.076 4.313 -0.237 19354 1095 1 2 . 1 1 82 82 PRO CA C 82 65.894 65.894 64.808 1.086 19354 1096 1 2 . 1 1 82 82 PRO CB C 82 30.481 30.481 31.687 -1.206 19354 1097 1 2 . 1 1 83 83 PHE N N 83 119.137 119.137 118.194 0.943 19354 1098 1 2 . 1 1 83 83 PHE HA H 83 4.289 4.289 4.413 -0.124 19354 1099 1 2 . 1 1 83 83 PHE C C 83 175.919 175.919 176.196 -0.277 19354 1100 1 2 . 1 1 83 83 PHE CA C 83 59.712 59.712 56.832 2.880 19354 1101 1 2 . 1 1 83 83 PHE CB C 83 39.329 39.329 38.937 0.392 19354 1102 1 2 . 1 1 83 83 PHE H H 83 6.892 6.892 7.914 -1.022 19354 1103 1 2 . 1 1 84 84 LEU N N 84 116.693 116.693 119.773 -3.080 19354 1104 1 2 . 1 1 84 84 LEU HA H 84 3.611 3.611 3.510 0.101 19354 1105 1 2 . 1 1 84 84 LEU C C 84 180.297 180.297 178.225 2.072 19354 1106 1 2 . 1 1 84 84 LEU CA C 84 57.952 57.952 57.685 0.267 19354 1107 1 2 . 1 1 84 84 LEU CB C 84 41.645 41.645 40.872 0.773 19354 1108 1 2 . 1 1 84 84 LEU H H 84 8.589 8.589 7.879 0.710 19354 1109 1 2 . 1 1 85 85 CYS N N 85 115.085 115.085 114.566 0.519 19354 1110 1 2 . 1 1 85 85 CYS HA H 85 4.127 4.127 4.314 -0.187 19354 1111 1 2 . 1 1 85 85 CYS C C 85 175.556 175.556 176.237 -0.681 19354 1112 1 2 . 1 1 85 85 CYS CA C 85 57.678 57.678 59.979 -2.301 19354 1113 1 2 . 1 1 85 85 CYS CB C 85 39.396 39.396 27.273 12.123 19354 1114 1 2 . 1 1 85 85 CYS H H 85 8.001 8.001 7.368 0.633 19354 1115 1 2 . 1 1 86 86 ALA N N 86 121.743 121.743 121.808 -0.065 19354 1116 1 2 . 1 1 86 86 ALA HA H 86 3.922 3.922 4.260 -0.338 19354 1117 1 2 . 1 1 86 86 ALA C C 86 177.745 177.745 177.082 0.663 19354 1118 1 2 . 1 1 86 86 ALA CA C 86 54.306 54.306 53.630 0.676 19354 1119 1 2 . 1 1 86 86 ALA CB C 86 18.778 18.778 18.182 0.596 19354 1120 1 2 . 1 1 86 86 ALA H H 86 7.671 7.671 7.608 0.063 19354 1121 1 2 . 1 1 87 87 VAL N N 87 115.667 115.667 115.181 0.486 19354 1122 1 2 . 1 1 87 87 VAL HA H 87 3.735 3.735 3.405 0.330 19354 1123 1 2 . 1 1 87 87 VAL C C 87 175.806 175.806 175.263 0.543 19354 1124 1 2 . 1 1 87 87 VAL CA C 87 64.622 64.622 62.966 1.656 19354 1125 1 2 . 1 1 87 87 VAL CB C 87 32.936 32.936 31.521 1.415 19354 1126 1 2 . 1 1 87 87 VAL H H 87 7.460 7.460 7.137 0.323 19354 1127 1 2 . 1 1 88 88 PHE N N 88 115.306 115.306 116.963 -1.657 19354 1128 1 2 . 1 1 88 88 PHE HA H 88 4.048 4.048 4.747 -0.699 19354 1129 1 2 . 1 1 88 88 PHE C C 88 176.192 176.192 175.321 0.871 19354 1130 1 2 . 1 1 88 88 PHE CA C 88 60.420 60.420 58.494 1.926 19354 1131 1 2 . 1 1 88 88 PHE CB C 88 40.182 40.182 40.389 -0.207 19354 1132 1 2 . 1 1 88 88 PHE H H 88 8.930 8.930 7.070 1.860 19354 1133 1 2 . 1 1 89 89 LYS N N 89 115.470 115.470 119.184 -3.714 19354 1134 1 2 . 1 1 89 89 LYS HA H 89 4.816 4.816 4.767 0.049 19354 1135 1 2 . 1 1 89 89 LYS C C 89 184.176 184.176 174.179 9.997 19354 1136 1 2 . 1 1 89 89 LYS CA C 89 53.428 53.428 53.562 -0.134 19354 1137 1 2 . 1 1 89 89 LYS CB C 89 33.274 33.274 32.374 0.900 19354 1138 1 2 . 1 1 89 89 LYS H H 89 7.802 7.802 7.643 0.159 19354 1139 1 2 . 1 1 90 90 PRO HA H 90 4.250 4.250 4.242 0.008 19354 1140 1 2 . 1 1 90 90 PRO CA C 90 62.682 62.682 62.357 0.325 19354 1141 1 2 . 1 1 90 90 PRO CB C 90 32.358 32.358 32.486 -0.128 19354 1142 1 2 . 1 1 91 91 LYS N N 91 122.391 122.391 121.316 1.075 19354 1143 1 2 . 1 1 91 91 LYS HA H 91 3.039 3.039 2.894 0.145 19354 1144 1 2 . 1 1 91 91 LYS C C 91 173.356 173.356 175.519 -2.163 19354 1145 1 2 . 1 1 91 91 LYS CA C 91 58.027 58.027 55.817 2.210 19354 1146 1 2 . 1 1 91 91 LYS CB C 91 31.285 31.285 31.931 -0.646 19354 1147 1 2 . 1 1 91 91 LYS H H 91 8.537 8.537 8.165 0.372 19354 1148 1 2 . 1 1 92 92 CYS N N 92 127.562 127.562 126.940 0.622 19354 1149 1 2 . 1 1 92 92 CYS HA H 92 5.391 5.391 4.726 0.665 19354 1150 1 2 . 1 1 92 92 CYS C C 92 171.655 171.655 173.712 -2.057 19354 1151 1 2 . 1 1 92 92 CYS CA C 92 53.804 53.804 57.327 -3.523 19354 1152 1 2 . 1 1 92 92 CYS CB C 92 41.219 41.219 27.800 13.418 19354 1153 1 2 . 1 1 92 92 CYS H H 92 7.037 7.037 8.149 -1.112 19354 1154 1 2 . 1 1 93 93 GLU N N 93 124.483 124.483 126.591 -2.108 19354 1155 1 2 . 1 1 93 93 GLU HA H 93 4.492 4.492 4.602 -0.110 19354 1156 1 2 . 1 1 93 93 GLU C C 93 173.371 173.371 174.295 -0.924 19354 1157 1 2 . 1 1 93 93 GLU CA C 93 54.874 54.874 55.301 -0.427 19354 1158 1 2 . 1 1 93 93 GLU CB C 93 34.630 34.630 32.171 2.459 19354 1159 1 2 . 1 1 93 93 GLU H H 93 9.401 9.401 8.772 0.629 19354 1160 1 2 . 1 1 94 94 LYS N N 94 122.694 122.694 120.787 1.907 19354 1161 1 2 . 1 1 94 94 LYS HA H 94 4.581 4.581 4.711 -0.130 19354 1162 1 2 . 1 1 94 94 LYS C C 94 176.509 176.509 176.440 0.069 19354 1163 1 2 . 1 1 94 94 LYS CA C 94 55.856 55.856 55.487 0.369 19354 1164 1 2 . 1 1 94 94 LYS CB C 94 31.809 31.809 33.144 -1.335 19354 1165 1 2 . 1 1 94 94 LYS H H 94 8.526 8.526 8.507 0.019 19354 1166 1 2 . 1 1 95 95 ILE N N 95 128.382 128.382 126.782 1.600 19354 1167 1 2 . 1 1 95 95 ILE HA H 95 4.049 4.049 4.109 -0.060 19354 1168 1 2 . 1 1 95 95 ILE C C 95 176.337 176.337 176.004 0.333 19354 1169 1 2 . 1 1 95 95 ILE CA C 95 60.847 60.847 61.269 -0.422 19354 1170 1 2 . 1 1 95 95 ILE CB C 95 39.625 39.625 38.035 1.590 19354 1171 1 2 . 1 1 95 95 ILE H H 95 9.001 9.001 8.508 0.493 19354 1172 1 2 . 1 1 96 96 ASN N N 96 127.596 127.596 127.446 0.150 19354 1173 1 2 . 1 1 96 96 ASN HA H 96 4.212 4.212 4.424 -0.212 19354 1174 1 2 . 1 1 96 96 ASN C C 96 175.496 175.496 175.154 0.342 19354 1175 1 2 . 1 1 96 96 ASN CA C 96 53.970 53.970 53.806 0.164 19354 1176 1 2 . 1 1 96 96 ASN CB C 96 37.238 37.238 37.923 -0.685 19354 1177 1 2 . 1 1 96 96 ASN H H 96 9.474 9.474 9.358 0.116 19354 1178 1 2 . 1 1 97 97 GLY N N 97 101.656 101.656 103.097 -1.441 19354 1179 1 2 . 1 1 97 97 GLY C C 97 173.651 173.651 173.526 0.125 19354 1180 1 2 . 1 1 97 97 GLY CA C 97 45.167 45.167 44.840 0.327 19354 1181 1 2 . 1 1 97 97 GLY H H 97 8.476 8.476 8.092 0.384 19354 1182 1 2 . 1 1 98 98 GLU N N 98 120.042 120.042 120.359 -0.317 19354 1183 1 2 . 1 1 98 98 GLU HA H 98 4.587 4.587 4.482 0.105 19354 1184 1 2 . 1 1 98 98 GLU C C 98 174.422 174.422 174.971 -0.549 19354 1185 1 2 . 1 1 98 98 GLU CA C 98 54.294 54.294 54.470 -0.176 19354 1186 1 2 . 1 1 98 98 GLU CB C 98 32.934 32.934 32.038 0.896 19354 1187 1 2 . 1 1 98 98 GLU H H 98 7.591 7.591 7.750 -0.159 19354 1188 1 2 . 1 1 99 99 ASP N N 99 126.603 126.603 127.876 -1.273 19354 1189 1 2 . 1 1 99 99 ASP HA H 99 4.340 4.340 4.499 -0.159 19354 1190 1 2 . 1 1 99 99 ASP C C 99 176.214 176.214 175.695 0.519 19354 1191 1 2 . 1 1 99 99 ASP CA C 99 55.408 55.408 56.140 -0.732 19354 1192 1 2 . 1 1 99 99 ASP CB C 99 41.629 41.629 40.210 1.419 19354 1193 1 2 . 1 1 99 99 ASP H H 99 8.489 8.489 8.757 -0.268 19354 1194 1 2 . 1 1 100 100 MET N N 100 121.977 121.977 121.369 0.608 19354 1195 1 2 . 1 1 100 100 MET HA H 100 4.911 4.911 5.443 -0.532 19354 1196 1 2 . 1 1 100 100 MET C C 100 172.900 172.900 174.957 -2.057 19354 1197 1 2 . 1 1 100 100 MET CA C 100 53.649 53.649 53.547 0.102 19354 1198 1 2 . 1 1 100 100 MET CB C 100 35.529 35.529 37.245 -1.716 19354 1199 1 2 . 1 1 100 100 MET H H 100 8.853 8.853 8.876 -0.022 19354 1200 1 2 . 1 1 101 101 VAL N N 101 119.963 119.963 111.009 8.954 19354 1201 1 2 . 1 1 101 101 VAL HA H 101 4.814 4.814 4.479 0.335 19354 1202 1 2 . 1 1 101 101 VAL C C 101 172.991 172.991 173.772 -0.781 19354 1203 1 2 . 1 1 101 101 VAL CA C 101 58.203 58.203 59.391 -1.188 19354 1204 1 2 . 1 1 101 101 VAL CB C 101 34.629 34.629 35.029 -0.400 19354 1205 1 2 . 1 1 101 101 VAL H H 101 8.964 8.964 7.867 1.097 19354 1206 1 2 . 1 1 102 102 TYR N N 102 125.849 125.849 119.044 6.805 19354 1207 1 2 . 1 1 102 102 TYR HA H 102 4.444 4.444 5.259 -0.815 19354 1208 1 2 . 1 1 102 102 TYR C C 102 176.464 176.464 175.478 0.986 19354 1209 1 2 . 1 1 102 102 TYR CA C 102 57.549 57.549 57.107 0.442 19354 1210 1 2 . 1 1 102 102 TYR CB C 102 38.274 38.274 40.432 -2.158 19354 1211 1 2 . 1 1 102 102 TYR H H 102 8.137 8.137 7.736 0.401 19354 1212 1 2 . 1 1 103 103 LEU N N 103 123.151 123.151 124.739 -1.588 19354 1213 1 2 . 1 1 103 103 LEU HA H 103 4.683 4.683 4.779 -0.096 19354 1214 1 2 . 1 1 103 103 LEU CA C 103 52.426 52.426 52.149 0.277 19354 1215 1 2 . 1 1 103 103 LEU CB C 103 42.038 42.038 43.098 -1.060 19354 1216 1 2 . 1 1 103 103 LEU H H 103 8.308 8.308 8.451 -0.143 19354 1217 1 2 . 1 1 104 104 PRO HA H 104 4.678 4.678 4.636 0.042 19354 1218 1 2 . 1 1 104 104 PRO CA C 104 61.704 61.704 62.688 -0.984 19354 1219 1 2 . 1 1 104 104 PRO CB C 104 32.020 32.020 32.477 -0.457 19354 1220 1 2 . 1 1 105 105 SER N N 105 113.955 113.955 115.065 -1.110 19354 1221 1 2 . 1 1 105 105 SER HA H 105 4.632 4.632 4.612 0.020 19354 1222 1 2 . 1 1 105 105 SER C C 105 175.473 175.473 176.063 -0.590 19354 1223 1 2 . 1 1 105 105 SER CA C 105 56.324 56.324 57.534 -1.210 19354 1224 1 2 . 1 1 105 105 SER CB C 105 65.193 65.193 65.134 0.059 19354 1225 1 2 . 1 1 105 105 SER H H 105 7.668 7.668 8.096 -0.428 19354 1226 1 2 . 1 1 106 106 TYR N N 106 122.582 122.582 120.851 1.731 19354 1227 1 2 . 1 1 106 106 TYR HA H 106 3.724 3.724 4.040 -0.316 19354 1228 1 2 . 1 1 106 106 TYR C C 106 178.116 178.116 177.010 1.106 19354 1229 1 2 . 1 1 106 106 TYR CA C 106 62.057 62.057 60.836 1.221 19354 1230 1 2 . 1 1 106 106 TYR CB C 106 37.925 37.925 37.782 0.143 19354 1231 1 2 . 1 1 106 106 TYR H H 106 8.492 8.492 9.152 -0.660 19354 1232 1 2 . 1 1 107 107 GLU N N 107 118.362 118.362 119.792 -1.430 19354 1233 1 2 . 1 1 107 107 GLU HA H 107 3.846 3.846 3.559 0.287 19354 1234 1 2 . 1 1 107 107 GLU C C 107 177.421 177.421 178.265 -0.844 19354 1235 1 2 . 1 1 107 107 GLU CA C 107 58.867 58.867 59.080 -0.213 19354 1236 1 2 . 1 1 107 107 GLU CB C 107 28.969 28.969 29.031 -0.062 19354 1237 1 2 . 1 1 107 107 GLU H H 107 8.503 8.503 7.456 1.047 19354 1238 1 2 . 1 1 108 108 MET N N 108 116.221 116.221 117.267 -1.046 19354 1239 1 2 . 1 1 108 108 MET HA H 108 3.708 3.708 3.926 -0.218 19354 1240 1 2 . 1 1 108 108 MET C C 108 176.804 176.804 177.997 -1.193 19354 1241 1 2 . 1 1 108 108 MET CA C 108 58.648 58.648 58.416 0.232 19354 1242 1 2 . 1 1 108 108 MET CB C 108 33.058 33.058 31.641 1.417 19354 1243 1 2 . 1 1 108 108 MET H H 108 7.409 7.409 7.791 -0.382 19354 1244 1 2 . 1 1 109 109 CYS N N 109 114.131 114.131 115.655 -1.524 19354 1245 1 2 . 1 1 109 109 CYS HA H 109 3.857 3.857 3.897 -0.040 19354 1246 1 2 . 1 1 109 109 CYS C C 109 178.047 178.047 177.147 0.900 19354 1247 1 2 . 1 1 109 109 CYS CA C 109 58.737 58.737 60.880 -2.143 19354 1248 1 2 . 1 1 109 109 CYS CB C 109 35.006 35.006 25.681 9.325 19354 1249 1 2 . 1 1 109 109 CYS H H 109 6.817 6.817 7.747 -0.930 19354 1250 1 2 . 1 1 110 110 ARG N N 110 124.629 124.629 121.671 2.958 19354 1251 1 2 . 1 1 110 110 ARG HA H 110 3.376 3.376 4.085 -0.709 19354 1252 1 2 . 1 1 110 110 ARG C C 110 179.435 179.435 177.994 1.441 19354 1253 1 2 . 1 1 110 110 ARG CA C 110 59.641 59.641 59.238 0.403 19354 1254 1 2 . 1 1 110 110 ARG CB C 110 29.273 29.273 29.725 -0.452 19354 1255 1 2 . 1 1 110 110 ARG H H 110 8.885 8.885 7.739 1.145 19354 1256 1 2 . 1 1 111 111 ILE N N 111 113.379 113.379 117.234 -3.855 19354 1257 1 2 . 1 1 111 111 ILE HA H 111 3.796 3.796 3.724 0.072 19354 1258 1 2 . 1 1 111 111 ILE C C 111 175.624 175.624 177.388 -1.764 19354 1259 1 2 . 1 1 111 111 ILE CA C 111 63.811 63.811 63.927 -0.116 19354 1260 1 2 . 1 1 111 111 ILE CB C 111 38.229 38.229 36.678 1.551 19354 1261 1 2 . 1 1 111 111 ILE H H 111 7.422 7.422 7.946 -0.524 19354 1262 1 2 . 1 1 112 112 THR N N 112 109.403 109.403 108.711 0.692 19354 1263 1 2 . 1 1 112 112 THR HA H 112 3.889 3.889 4.308 -0.419 19354 1264 1 2 . 1 1 112 112 THR C C 112 175.798 175.798 176.285 -0.487 19354 1265 1 2 . 1 1 112 112 THR CA C 112 62.856 62.856 64.381 -1.525 19354 1266 1 2 . 1 1 112 112 THR CB C 112 70.168 70.168 69.723 0.445 19354 1267 1 2 . 1 1 112 112 THR H H 112 7.574 7.574 7.377 0.197 19354 1268 1 2 . 1 1 113 113 MET N N 113 119.638 119.638 121.271 -1.633 19354 1269 1 2 . 1 1 113 113 MET HA H 113 3.541 3.541 4.553 -1.012 19354 1270 1 2 . 1 1 113 113 MET C C 113 177.174 177.174 177.717 -0.543 19354 1271 1 2 . 1 1 113 113 MET CA C 113 60.235 60.235 58.817 1.418 19354 1272 1 2 . 1 1 113 113 MET CB C 113 32.338 32.338 32.575 -0.237 19354 1273 1 2 . 1 1 113 113 MET H H 113 7.152 7.152 7.385 -0.233 19354 1274 1 2 . 1 1 114 114 GLU N N 114 117.224 117.224 118.408 -1.184 19354 1275 1 2 . 1 1 114 114 GLU HA H 114 4.114 4.114 4.235 -0.121 19354 1276 1 2 . 1 1 114 114 GLU CA C 114 60.422 60.422 60.252 0.170 19354 1277 1 2 . 1 1 114 114 GLU CB C 114 26.103 26.103 28.920 -2.817 19354 1278 1 2 . 1 1 114 114 GLU H H 114 8.580 8.580 7.840 0.740 19354 1279 1 2 . 1 1 115 115 PRO HA H 115 4.304 4.304 4.383 -0.079 19354 1280 1 2 . 1 1 115 115 PRO CA C 115 65.128 65.128 64.246 0.882 19354 1281 1 2 . 1 1 115 115 PRO CB C 115 31.141 31.141 31.968 -0.827 19354 1282 1 2 . 1 1 116 116 CYS N N 116 111.879 111.879 121.045 -9.166 19354 1283 1 2 . 1 1 116 116 CYS HA H 116 4.679 4.679 4.890 -0.211 19354 1284 1 2 . 1 1 116 116 CYS C C 116 174.808 174.808 175.565 -0.757 19354 1285 1 2 . 1 1 116 116 CYS CA C 116 54.060 54.060 57.616 -3.556 19354 1286 1 2 . 1 1 116 116 CYS CB C 116 42.879 42.879 26.344 16.535 19354 1287 1 2 . 1 1 116 116 CYS H H 116 7.208 7.208 8.220 -1.012 19354 1288 1 2 . 1 1 117 117 ARG N N 117 123.750 123.750 124.882 -1.132 19354 1289 1 2 . 1 1 117 117 ARG HA H 117 3.161 3.161 4.300 -1.139 19354 1290 1 2 . 1 1 117 117 ARG C C 117 178.210 178.210 176.571 1.639 19354 1291 1 2 . 1 1 117 117 ARG CA C 117 59.743 59.743 58.991 0.752 19354 1292 1 2 . 1 1 117 117 ARG CB C 117 29.486 29.486 30.422 -0.936 19354 1293 1 2 . 1 1 117 117 ARG H H 117 7.436 7.436 8.583 -1.147 19354 1294 1 2 . 1 1 118 118 ILE N N 118 116.384 116.384 117.313 -0.929 19354 1295 1 2 . 1 1 118 118 ILE HA H 118 4.000 4.000 4.186 -0.186 19354 1296 1 2 . 1 1 118 118 ILE C C 118 176.577 176.577 176.317 0.260 19354 1297 1 2 . 1 1 118 118 ILE CA C 118 63.166 63.166 62.205 0.962 19354 1298 1 2 . 1 1 118 118 ILE CB C 118 37.781 37.781 36.466 1.315 19354 1299 1 2 . 1 1 118 118 ILE H H 118 8.130 8.130 8.349 -0.219 19354 1300 1 2 . 1 1 119 119 LEU N N 119 119.738 119.738 118.771 0.967 19354 1301 1 2 . 1 1 119 119 LEU HA H 119 4.540 4.540 4.476 0.064 19354 1302 1 2 . 1 1 119 119 LEU C C 119 178.346 178.346 176.941 1.405 19354 1303 1 2 . 1 1 119 119 LEU CA C 119 54.697 54.697 53.962 0.735 19354 1304 1 2 . 1 1 119 119 LEU CB C 119 42.872 42.872 39.891 2.981 19354 1305 1 2 . 1 1 119 119 LEU H H 119 7.771 7.771 7.640 0.131 19354 1306 1 2 . 1 1 120 120 TYR N N 120 121.945 121.945 114.944 7.001 19354 1307 1 2 . 1 1 120 120 TYR HA H 120 4.125 4.125 4.423 -0.298 19354 1308 1 2 . 1 1 120 120 TYR C C 120 176.169 176.169 174.314 1.855 19354 1309 1 2 . 1 1 120 120 TYR CA C 120 59.682 59.682 57.918 1.764 19354 1310 1 2 . 1 1 120 120 TYR CB C 120 37.180 37.180 38.779 -1.599 19354 1311 1 2 . 1 1 120 120 TYR H H 120 7.886 7.886 7.885 0.001 19354 1312 1 2 . 1 1 121 121 ASN N N 121 115.992 115.992 110.915 5.077 19354 1313 1 2 . 1 1 121 121 ASN HA H 121 4.885 4.885 4.563 0.322 19354 1314 1 2 . 1 1 121 121 ASN C C 121 175.612 175.612 175.230 0.382 19354 1315 1 2 . 1 1 121 121 ASN CA C 121 52.670 52.670 53.051 -0.382 19354 1316 1 2 . 1 1 121 121 ASN CB C 121 38.058 38.058 38.839 -0.781 19354 1317 1 2 . 1 1 121 121 ASN H H 121 8.228 8.228 7.509 0.719 19354 1318 1 2 . 1 1 122 122 THR N N 122 109.094 109.094 118.421 -9.327 19354 1319 1 2 . 1 1 122 122 THR HA H 122 4.682 4.682 4.179 0.503 19354 1320 1 2 . 1 1 122 122 THR C C 122 175.844 175.844 175.502 0.342 19354 1321 1 2 . 1 1 122 122 THR CA C 122 61.815 61.815 64.609 -2.795 19354 1322 1 2 . 1 1 122 122 THR CB C 122 72.484 72.484 69.478 3.006 19354 1323 1 2 . 1 1 122 122 THR H H 122 7.649 7.649 7.768 -0.119 19354 1324 1 2 . 1 1 123 123 THR N N 123 112.067 112.067 121.528 -9.461 19354 1325 1 2 . 1 1 123 123 THR HA H 123 4.026 4.026 4.400 -0.374 19354 1326 1 2 . 1 1 123 123 THR C C 123 175.033 175.033 173.843 1.190 19354 1327 1 2 . 1 1 123 123 THR CA C 123 63.174 63.174 62.394 0.780 19354 1328 1 2 . 1 1 123 123 THR CB C 123 68.529 68.529 67.524 1.005 19354 1329 1 2 . 1 1 123 123 THR H H 123 8.261 8.261 8.637 -0.376 19354 1330 1 2 . 1 1 124 124 PHE N N 124 118.139 118.139 120.819 -2.680 19354 1331 1 2 . 1 1 124 124 PHE HA H 124 4.153 4.153 4.370 -0.217 19354 1332 1 2 . 1 1 124 124 PHE C C 124 175.398 175.398 174.702 0.696 19354 1333 1 2 . 1 1 124 124 PHE CA C 124 59.890 59.890 58.992 0.898 19354 1334 1 2 . 1 1 124 124 PHE CB C 124 39.668 39.668 40.693 -1.025 19354 1335 1 2 . 1 1 124 124 PHE H H 124 7.764 7.764 7.608 0.156 19354 1336 1 2 . 1 1 125 125 PHE N N 125 118.447 118.447 115.988 2.459 19354 1337 1 2 . 1 1 125 125 PHE HA H 125 4.662 4.662 5.125 -0.463 19354 1338 1 2 . 1 1 125 125 PHE CA C 125 56.245 56.245 55.001 1.244 19354 1339 1 2 . 1 1 125 125 PHE CB C 125 38.810 38.810 39.543 -0.733 19354 1340 1 2 . 1 1 125 125 PHE H H 125 7.670 7.670 7.825 -0.155 19354 1341 1 2 . 1 1 126 126 PRO HA H 126 4.398 4.398 4.440 -0.042 19354 1342 1 2 . 1 1 126 126 PRO CA C 126 62.432 62.432 64.881 -2.449 19354 1343 1 2 . 1 1 126 126 PRO CB C 126 32.670 32.670 32.092 0.578 19354 1344 1 2 . 1 1 127 127 LYS N N 127 118.753 118.753 118.094 0.659 19354 1345 1 2 . 1 1 127 127 LYS HA H 127 3.580 3.580 4.310 -0.730 19354 1346 1 2 . 1 1 127 127 LYS C C 127 177.977 177.977 177.927 0.050 19354 1347 1 2 . 1 1 127 127 LYS CA C 127 60.279 60.279 58.446 1.833 19354 1348 1 2 . 1 1 127 127 LYS CB C 127 31.599 31.599 31.281 0.318 19354 1349 1 2 . 1 1 127 127 LYS H H 127 8.565 8.565 8.853 -0.288 19354 1350 1 2 . 1 1 128 128 PHE N N 128 110.638 110.638 117.831 -7.193 19354 1351 1 2 . 1 1 128 128 PHE HA H 128 4.481 4.481 4.758 -0.277 19354 1352 1 2 . 1 1 128 128 PHE C C 128 173.946 173.946 175.195 -1.249 19354 1353 1 2 . 1 1 128 128 PHE CA C 128 57.841 57.841 59.045 -1.204 19354 1354 1 2 . 1 1 128 128 PHE CB C 128 36.807 36.807 40.047 -3.240 19354 1355 1 2 . 1 1 128 128 PHE H H 128 6.795 6.795 7.862 -1.067 19354 1356 1 2 . 1 1 129 129 LEU N N 129 119.653 119.653 119.659 -0.006 19354 1357 1 2 . 1 1 129 129 LEU HA H 129 4.710 4.710 4.642 0.068 19354 1358 1 2 . 1 1 129 129 LEU C C 129 175.398 175.398 175.792 -0.394 19354 1359 1 2 . 1 1 129 129 LEU CA C 129 53.169 53.169 54.309 -1.141 19354 1360 1 2 . 1 1 129 129 LEU CB C 129 44.901 44.901 42.045 2.856 19354 1361 1 2 . 1 1 129 129 LEU H H 129 7.204 7.204 7.925 -0.721 19354 1362 1 2 . 1 1 130 130 ARG N N 130 116.807 116.807 123.489 -6.682 19354 1363 1 2 . 1 1 130 130 ARG HA H 130 4.328 4.328 4.334 -0.006 19354 1364 1 2 . 1 1 130 130 ARG C C 130 177.099 177.099 175.319 1.780 19354 1365 1 2 . 1 1 130 130 ARG CA C 130 55.250 55.250 56.075 -0.825 19354 1366 1 2 . 1 1 130 130 ARG CB C 130 30.355 30.355 27.732 2.623 19354 1367 1 2 . 1 1 130 130 ARG H H 130 7.090 7.090 8.368 -1.278 19354 1368 1 2 . 1 1 131 131 CYS N N 131 117.271 117.271 119.514 -2.243 19354 1369 1 2 . 1 1 131 131 CYS HA H 131 4.588 4.588 4.879 -0.291 19354 1370 1 2 . 1 1 131 131 CYS C C 131 175.022 175.022 173.256 1.766 19354 1371 1 2 . 1 1 131 131 CYS CA C 131 54.449 54.449 56.362 -1.913 19354 1372 1 2 . 1 1 131 131 CYS CB C 131 34.958 34.958 30.809 4.149 19354 1373 1 2 . 1 1 131 131 CYS H H 131 8.210 8.210 8.166 0.044 19354 1374 1 2 . 1 1 132 132 ASN N N 132 120.232 120.232 120.124 0.108 19354 1375 1 2 . 1 1 132 132 ASN HA H 132 4.811 4.811 4.574 0.237 19354 1376 1 2 . 1 1 132 132 ASN C C 132 175.080 175.080 174.905 0.175 19354 1377 1 2 . 1 1 132 132 ASN CA C 132 53.188 53.188 53.770 -0.582 19354 1378 1 2 . 1 1 132 132 ASN CB C 132 40.003 40.003 38.851 1.152 19354 1379 1 2 . 1 1 132 132 ASN H H 132 7.801 7.801 8.528 -0.727 19354 1380 1 2 . 1 1 133 133 GLU N N 133 123.435 123.435 122.628 0.807 19354 1381 1 2 . 1 1 133 133 GLU HA H 133 4.225 4.225 4.387 -0.162 19354 1382 1 2 . 1 1 133 133 GLU C C 133 176.447 176.447 177.689 -1.242 19354 1383 1 2 . 1 1 133 133 GLU CA C 133 57.928 57.928 57.738 0.190 19354 1384 1 2 . 1 1 133 133 GLU CB C 133 29.822 29.822 31.191 -1.369 19354 1385 1 2 . 1 1 133 133 GLU H H 133 9.086 9.086 8.434 0.652 19354 1386 1 2 . 1 1 134 134 THR N N 134 113.403 113.403 112.832 0.571 19354 1387 1 2 . 1 1 134 134 THR HA H 134 3.964 3.964 4.251 -0.287 19354 1388 1 2 . 1 1 134 134 THR C C 134 174.853 174.853 175.600 -0.747 19354 1389 1 2 . 1 1 134 134 THR CA C 134 63.694 63.694 63.586 0.108 19354 1390 1 2 . 1 1 134 134 THR CB C 134 68.841 68.841 68.843 -0.002 19354 1391 1 2 . 1 1 134 134 THR H H 134 8.067 8.067 8.384 -0.317 19354 1392 1 2 . 1 1 135 135 LEU N N 135 121.377 121.377 120.671 0.706 19354 1393 1 2 . 1 1 135 135 LEU HA H 135 3.964 3.964 4.442 -0.478 19354 1394 1 2 . 1 1 135 135 LEU C C 135 176.215 176.215 177.071 -0.856 19354 1395 1 2 . 1 1 135 135 LEU CA C 135 55.656 55.656 54.963 0.693 19354 1396 1 2 . 1 1 135 135 LEU CB C 135 42.291 42.291 42.727 -0.436 19354 1397 1 2 . 1 1 135 135 LEU H H 135 7.448 7.448 7.497 -0.049 19354 1398 1 2 . 1 1 136 136 PHE N N 136 117.704 117.704 119.249 -1.545 19354 1399 1 2 . 1 1 136 136 PHE HA H 136 5.202 5.202 4.967 0.235 19354 1400 1 2 . 1 1 136 136 PHE C C 136 179.412 179.412 174.623 4.789 19354 1401 1 2 . 1 1 136 136 PHE CA C 136 53.495 53.495 55.049 -1.554 19354 1402 1 2 . 1 1 136 136 PHE CB C 136 39.248 39.248 38.367 0.881 19354 1403 1 2 . 1 1 136 136 PHE H H 136 7.542 7.542 8.498 -0.956 19354 1404 1 2 . 1 1 137 137 PRO HA H 137 4.528 4.528 4.298 0.230 19354 1405 1 2 . 1 1 137 137 PRO CA C 137 62.949 62.949 64.085 -1.136 19354 1406 1 2 . 1 1 137 137 PRO CB C 137 32.242 32.242 32.164 0.078 19354 1407 1 2 . 1 1 138 138 THR N N 138 114.025 114.025 112.683 1.342 19354 1408 1 2 . 1 1 138 138 THR HA H 138 4.324 4.324 3.779 0.545 19354 1409 1 2 . 1 1 138 138 THR C C 138 174.175 174.175 174.558 -0.383 19354 1410 1 2 . 1 1 138 138 THR CA C 138 61.863 61.863 63.802 -1.939 19354 1411 1 2 . 1 1 138 138 THR CB C 138 69.742 69.742 68.656 1.086 19354 1412 1 2 . 1 1 138 138 THR H H 138 8.452 8.452 8.352 0.100 19354 1413 1 3 . 1 1 13 13 GLY N N 13 110.400 110.400 110.596 -0.196 19354 1414 1 3 . 1 1 13 13 GLY C C 13 173.560 173.560 172.611 0.949 19354 1415 1 3 . 1 1 13 13 GLY CA C 13 45.111 45.111 45.703 -0.592 19354 1416 1 3 . 1 1 13 13 GLY H H 13 8.335 8.335 8.446 -0.111 19354 1417 1 3 . 1 1 14 14 LEU N N 14 121.222 121.222 121.140 0.082 19354 1418 1 3 . 1 1 14 14 LEU HA H 14 4.378 4.378 4.426 -0.048 19354 1419 1 3 . 1 1 14 14 LEU C C 14 177.119 177.119 174.820 2.299 19354 1420 1 3 . 1 1 14 14 LEU CA C 14 54.838 54.838 54.312 0.526 19354 1421 1 3 . 1 1 14 14 LEU CB C 14 42.429 42.429 45.334 -2.905 19354 1422 1 3 . 1 1 14 14 LEU H H 14 7.915 7.915 7.750 0.165 19354 1423 1 3 . 1 1 15 15 VAL N N 15 123.222 123.222 119.790 3.432 19354 1424 1 3 . 1 1 15 15 VAL HA H 15 4.335 4.335 4.593 -0.258 19354 1425 1 3 . 1 1 15 15 VAL C C 15 175.602 175.602 173.872 1.730 19354 1426 1 3 . 1 1 15 15 VAL CA C 15 59.375 59.375 58.793 0.582 19354 1427 1 3 . 1 1 15 15 VAL CB C 15 33.197 33.197 35.704 -2.507 19354 1428 1 3 . 1 1 15 15 VAL H H 15 8.297 8.297 8.435 -0.138 19354 1429 1 3 . 1 1 16 16 PRO HA H 16 4.379 4.379 4.607 -0.228 19354 1430 1 3 . 1 1 16 16 PRO CA C 16 62.925 62.925 63.476 -0.551 19354 1431 1 3 . 1 1 16 16 PRO CB C 16 32.043 32.043 30.600 1.443 19354 1432 1 3 . 1 1 17 17 ARG N N 17 122.742 122.742 121.154 1.588 19354 1433 1 3 . 1 1 17 17 ARG HA H 17 4.219 4.219 4.581 -0.362 19354 1434 1 3 . 1 1 17 17 ARG C C 17 176.586 176.586 176.759 -0.173 19354 1435 1 3 . 1 1 17 17 ARG CA C 17 55.479 55.479 56.387 -0.908 19354 1436 1 3 . 1 1 17 17 ARG CB C 17 30.889 30.889 31.851 -0.962 19354 1437 1 3 . 1 1 17 17 ARG H H 17 8.469 8.469 8.638 -0.169 19354 1438 1 3 . 1 1 18 18 GLY N N 18 111.993 111.993 106.602 5.391 19354 1439 1 3 . 1 1 18 18 GLY C C 18 174.453 174.453 173.750 0.703 19354 1440 1 3 . 1 1 18 18 GLY CA C 18 45.670 45.670 45.254 0.416 19354 1441 1 3 . 1 1 18 18 GLY H H 18 8.538 8.538 8.625 -0.087 19354 1442 1 3 . 1 1 19 19 SER HA H 19 4.318 4.318 4.487 -0.169 19354 1443 1 3 . 1 1 19 19 SER CA C 19 58.480 58.480 58.473 0.007 19354 1444 1 3 . 1 1 19 19 SER CB C 19 63.535 63.535 64.389 -0.854 19354 1445 1 3 . 1 1 20 20 HIS N N 20 120.039 120.039 121.703 -1.664 19354 1446 1 3 . 1 1 20 20 HIS HA H 20 4.678 4.678 4.879 -0.201 19354 1447 1 3 . 1 1 20 20 HIS C C 20 174.263 174.263 173.806 0.457 19354 1448 1 3 . 1 1 20 20 HIS CA C 20 55.889 55.889 56.365 -0.476 19354 1449 1 3 . 1 1 20 20 HIS CB C 20 32.027 32.027 29.085 2.942 19354 1450 1 3 . 1 1 20 20 HIS H H 20 8.344 8.344 8.725 -0.381 19354 1451 1 3 . 1 1 21 21 MET N N 21 120.453 120.453 120.040 0.413 19354 1452 1 3 . 1 1 21 21 MET HA H 21 4.676 4.676 4.688 -0.012 19354 1453 1 3 . 1 1 21 21 MET C C 21 174.808 174.808 174.188 0.620 19354 1454 1 3 . 1 1 21 21 MET CA C 21 54.232 54.232 56.880 -2.648 19354 1455 1 3 . 1 1 21 21 MET CB C 21 32.377 32.377 35.893 -3.516 19354 1456 1 3 . 1 1 21 21 MET H H 21 8.587 8.587 8.064 0.523 19354 1457 1 3 . 1 1 22 22 VAL N N 22 112.794 112.794 115.836 -3.042 19354 1458 1 3 . 1 1 22 22 VAL HA H 22 5.297 5.297 4.994 0.303 19354 1459 1 3 . 1 1 22 22 VAL C C 22 175.218 175.218 173.939 1.279 19354 1460 1 3 . 1 1 22 22 VAL CA C 22 57.885 57.885 59.435 -1.550 19354 1461 1 3 . 1 1 22 22 VAL CB C 22 35.895 35.895 35.597 0.298 19354 1462 1 3 . 1 1 22 22 VAL H H 22 7.805 7.805 7.575 0.230 19354 1463 1 3 . 1 1 23 23 ARG N N 23 117.854 117.854 122.052 -4.198 19354 1464 1 3 . 1 1 23 23 ARG HA H 23 4.578 4.578 4.641 -0.063 19354 1465 1 3 . 1 1 23 23 ARG C C 23 174.128 174.128 174.525 -0.397 19354 1466 1 3 . 1 1 23 23 ARG CA C 23 54.192 54.192 54.639 -0.447 19354 1467 1 3 . 1 1 23 23 ARG CB C 23 34.757 34.757 33.642 1.115 19354 1468 1 3 . 1 1 23 23 ARG H H 23 8.430 8.430 7.899 0.531 19354 1469 1 3 . 1 1 24 24 ARG N N 24 124.928 124.928 123.588 1.340 19354 1470 1 3 . 1 1 24 24 ARG HA H 24 4.619 4.619 4.553 0.066 19354 1471 1 3 . 1 1 24 24 ARG C C 24 176.265 176.265 175.758 0.507 19354 1472 1 3 . 1 1 24 24 ARG CA C 24 57.824 57.824 56.366 1.458 19354 1473 1 3 . 1 1 24 24 ARG CB C 24 29.913 29.913 28.371 1.542 19354 1474 1 3 . 1 1 24 24 ARG H H 24 8.569 8.569 8.625 -0.056 19354 1475 1 3 . 1 1 25 25 ALA N N 25 127.390 127.390 123.638 3.752 19354 1476 1 3 . 1 1 25 25 ALA HA H 25 4.379 4.379 4.481 -0.102 19354 1477 1 3 . 1 1 25 25 ALA C C 25 174.173 174.173 176.345 -2.172 19354 1478 1 3 . 1 1 25 25 ALA CA C 25 51.382 51.382 50.582 0.800 19354 1479 1 3 . 1 1 25 25 ALA CB C 25 23.050 23.050 20.513 2.537 19354 1480 1 3 . 1 1 25 25 ALA H H 25 8.082 8.082 7.860 0.222 19354 1481 1 3 . 1 1 26 26 ARG N N 26 116.820 116.820 118.199 -1.379 19354 1482 1 3 . 1 1 26 26 ARG HA H 26 4.692 4.692 4.510 0.182 19354 1483 1 3 . 1 1 26 26 ARG C C 26 177.847 177.847 175.259 2.588 19354 1484 1 3 . 1 1 26 26 ARG CA C 26 55.271 55.271 56.344 -1.073 19354 1485 1 3 . 1 1 26 26 ARG CB C 26 31.215 31.215 31.801 -0.586 19354 1486 1 3 . 1 1 26 26 ARG H H 26 8.133 8.133 8.445 -0.312 19354 1487 1 3 . 1 1 27 27 CYS N N 27 126.567 126.567 121.733 4.834 19354 1488 1 3 . 1 1 27 27 CYS HA H 27 5.732 5.732 5.493 0.239 19354 1489 1 3 . 1 1 27 27 CYS C C 27 175.288 175.288 174.314 0.974 19354 1490 1 3 . 1 1 27 27 CYS CA C 27 51.785 51.785 57.292 -5.507 19354 1491 1 3 . 1 1 27 27 CYS CB C 27 38.246 38.246 29.649 8.597 19354 1492 1 3 . 1 1 27 27 CYS H H 27 9.709 9.709 8.572 1.137 19354 1493 1 3 . 1 1 28 28 TYR N N 28 120.309 120.309 120.827 -0.518 19354 1494 1 3 . 1 1 28 28 TYR HA H 28 5.079 5.079 5.085 -0.006 19354 1495 1 3 . 1 1 28 28 TYR CA C 28 54.951 54.951 54.209 0.742 19354 1496 1 3 . 1 1 28 28 TYR CB C 28 39.807 39.807 38.868 0.939 19354 1497 1 3 . 1 1 28 28 TYR H H 28 8.870 8.870 8.976 -0.106 19354 1498 1 3 . 1 1 29 29 PRO HA H 29 4.836 4.836 4.771 0.065 19354 1499 1 3 . 1 1 29 29 PRO CA C 29 61.773 61.773 62.701 -0.928 19354 1500 1 3 . 1 1 29 29 PRO CB C 29 31.173 31.173 32.243 -1.070 19354 1501 1 3 . 1 1 30 30 THR N N 30 115.177 115.177 118.979 -3.802 19354 1502 1 3 . 1 1 30 30 THR HA H 30 4.253 4.253 4.295 -0.042 19354 1503 1 3 . 1 1 30 30 THR C C 30 173.688 173.688 175.529 -1.841 19354 1504 1 3 . 1 1 30 30 THR CA C 30 61.324 61.324 64.257 -2.933 19354 1505 1 3 . 1 1 30 30 THR CB C 30 70.191 70.191 69.216 0.976 19354 1506 1 3 . 1 1 30 30 THR H H 30 7.978 7.978 8.846 -0.868 19354 1507 1 3 . 1 1 31 31 SER N N 31 116.822 116.822 115.180 1.642 19354 1508 1 3 . 1 1 31 31 SER HA H 31 4.702 4.702 4.627 0.075 19354 1509 1 3 . 1 1 31 31 SER C C 31 175.079 175.079 174.586 0.493 19354 1510 1 3 . 1 1 31 31 SER CA C 31 57.057 57.057 56.563 0.494 19354 1511 1 3 . 1 1 31 31 SER CB C 31 66.020 66.020 64.672 1.348 19354 1512 1 3 . 1 1 31 31 SER H H 31 8.451 8.451 8.195 0.256 19354 1513 1 3 . 1 1 32 32 ASN N N 32 118.803 118.803 119.483 -0.680 19354 1514 1 3 . 1 1 32 32 ASN HA H 32 4.385 4.385 4.650 -0.265 19354 1515 1 3 . 1 1 32 32 ASN C C 32 175.705 175.705 176.005 -0.300 19354 1516 1 3 . 1 1 32 32 ASN CA C 32 55.564 55.564 55.474 0.090 19354 1517 1 3 . 1 1 32 32 ASN CB C 32 37.637 37.637 38.874 -1.237 19354 1518 1 3 . 1 1 32 32 ASN H H 32 8.802 8.802 8.747 0.055 19354 1519 1 3 . 1 1 33 33 ALA N N 33 118.571 118.571 121.615 -3.044 19354 1520 1 3 . 1 1 33 33 ALA HA H 33 4.262 4.262 4.457 -0.195 19354 1521 1 3 . 1 1 33 33 ALA C C 33 179.229 179.229 177.223 2.006 19354 1522 1 3 . 1 1 33 33 ALA CA C 33 53.087 53.087 53.810 -0.723 19354 1523 1 3 . 1 1 33 33 ALA CB C 33 19.563 19.563 19.482 0.081 19354 1524 1 3 . 1 1 33 33 ALA H H 33 8.004 8.004 7.968 0.036 19354 1525 1 3 . 1 1 34 34 THR N N 34 106.312 106.312 110.590 -4.278 19354 1526 1 3 . 1 1 34 34 THR HA H 34 4.581 4.581 4.314 0.267 19354 1527 1 3 . 1 1 34 34 THR C C 34 175.334 175.334 172.626 2.708 19354 1528 1 3 . 1 1 34 34 THR CA C 34 60.586 60.586 61.350 -0.764 19354 1529 1 3 . 1 1 34 34 THR CB C 34 70.195 70.195 70.102 0.093 19354 1530 1 3 . 1 1 34 34 THR H H 34 7.551 7.551 7.498 0.053 19354 1531 1 3 . 1 1 35 35 ASN N N 35 122.599 122.599 120.975 1.624 19354 1532 1 3 . 1 1 35 35 ASN HA H 35 4.528 4.528 4.831 -0.303 19354 1533 1 3 . 1 1 35 35 ASN C C 35 174.221 174.221 174.253 -0.032 19354 1534 1 3 . 1 1 35 35 ASN CA C 35 52.790 52.790 53.099 -0.309 19354 1535 1 3 . 1 1 35 35 ASN CB C 35 36.768 36.768 39.730 -2.962 19354 1536 1 3 . 1 1 35 35 ASN H H 35 7.897 7.897 8.422 -0.525 19354 1537 1 3 . 1 1 36 36 THR N N 36 107.151 107.151 118.765 -11.614 19354 1538 1 3 . 1 1 36 36 THR HA H 36 4.979 4.979 4.492 0.487 19354 1539 1 3 . 1 1 36 36 THR C C 36 173.651 173.651 173.155 0.496 19354 1540 1 3 . 1 1 36 36 THR CA C 36 59.011 59.011 61.959 -2.948 19354 1541 1 3 . 1 1 36 36 THR CB C 36 72.745 72.745 70.824 1.921 19354 1542 1 3 . 1 1 36 36 THR H H 36 7.490 7.490 8.303 -0.813 19354 1543 1 3 . 1 1 37 37 CYS N N 37 118.809 118.809 126.496 -7.687 19354 1544 1 3 . 1 1 37 37 CYS HA H 37 4.095 4.095 4.863 -0.768 19354 1545 1 3 . 1 1 37 37 CYS C C 37 173.688 173.688 173.560 0.128 19354 1546 1 3 . 1 1 37 37 CYS CA C 37 55.634 55.634 58.532 -2.898 19354 1547 1 3 . 1 1 37 37 CYS CB C 37 45.854 45.854 28.885 16.969 19354 1548 1 3 . 1 1 37 37 CYS H H 37 8.632 8.632 8.549 0.083 19354 1549 1 3 . 1 1 38 38 PHE N N 38 128.190 128.190 124.872 3.318 19354 1550 1 3 . 1 1 38 38 PHE HA H 38 4.275 4.275 4.154 0.121 19354 1551 1 3 . 1 1 38 38 PHE C C 38 176.261 176.261 176.542 -0.281 19354 1552 1 3 . 1 1 38 38 PHE CA C 38 59.067 59.067 58.403 0.664 19354 1553 1 3 . 1 1 38 38 PHE CB C 38 36.576 36.576 37.895 -1.319 19354 1554 1 3 . 1 1 38 38 PHE H H 38 9.018 9.018 9.367 -0.349 19354 1555 1 3 . 1 1 39 39 GLY N N 39 104.504 104.504 106.964 -2.460 19354 1556 1 3 . 1 1 39 39 GLY C C 39 174.173 174.173 174.628 -0.455 19354 1557 1 3 . 1 1 39 39 GLY CA C 39 45.112 45.112 45.437 -0.325 19354 1558 1 3 . 1 1 39 39 GLY H H 39 8.566 8.566 8.490 0.076 19354 1559 1 3 . 1 1 40 40 SER N N 40 116.201 116.201 121.196 -4.995 19354 1560 1 3 . 1 1 40 40 SER HA H 40 4.529 4.529 4.377 0.152 19354 1561 1 3 . 1 1 40 40 SER C C 40 173.873 173.873 174.129 -0.256 19354 1562 1 3 . 1 1 40 40 SER CA C 40 57.436 57.436 59.413 -1.977 19354 1563 1 3 . 1 1 40 40 SER CB C 40 63.718 63.718 63.736 -0.018 19354 1564 1 3 . 1 1 40 40 SER H H 40 7.533 7.533 8.109 -0.576 19354 1565 1 3 . 1 1 41 41 LYS N N 41 127.456 127.456 126.572 0.884 19354 1566 1 3 . 1 1 41 41 LYS HA H 41 4.056 4.056 4.109 -0.053 19354 1567 1 3 . 1 1 41 41 LYS C C 41 176.632 176.632 176.465 0.167 19354 1568 1 3 . 1 1 41 41 LYS CA C 41 56.409 56.409 56.652 -0.243 19354 1569 1 3 . 1 1 41 41 LYS CB C 41 32.169 32.169 32.830 -0.661 19354 1570 1 3 . 1 1 41 41 LYS H H 41 8.768 8.768 8.332 0.436 19354 1571 1 3 . 1 1 42 42 LEU N N 42 128.016 128.016 125.833 2.183 19354 1572 1 3 . 1 1 42 42 LEU HA H 42 4.120 4.120 4.249 -0.129 19354 1573 1 3 . 1 1 42 42 LEU CA C 42 52.010 52.010 52.887 -0.877 19354 1574 1 3 . 1 1 42 42 LEU CB C 42 40.680 40.680 40.997 -0.317 19354 1575 1 3 . 1 1 42 42 LEU H H 42 8.304 8.304 8.240 0.064 19354 1576 1 3 . 1 1 43 43 PRO HA H 43 4.453 4.453 4.217 0.236 19354 1577 1 3 . 1 1 43 43 PRO CA C 43 62.807 62.807 63.837 -1.030 19354 1578 1 3 . 1 1 43 43 PRO CB C 43 29.625 29.625 31.709 -2.084 19354 1579 1 3 . 1 1 44 44 TYR N N 44 116.871 116.871 114.609 2.262 19354 1580 1 3 . 1 1 44 44 TYR HA H 44 4.689 4.689 4.877 -0.188 19354 1581 1 3 . 1 1 44 44 TYR C C 44 175.239 175.239 174.982 0.257 19354 1582 1 3 . 1 1 44 44 TYR CA C 44 53.718 53.718 54.690 -0.972 19354 1583 1 3 . 1 1 44 44 TYR CB C 44 38.637 38.637 40.362 -1.725 19354 1584 1 3 . 1 1 44 44 TYR H H 44 6.311 6.311 6.811 -0.500 19354 1585 1 3 . 1 1 45 45 GLU N N 45 118.221 118.221 120.143 -1.922 19354 1586 1 3 . 1 1 45 45 GLU HA H 45 4.138 4.138 4.611 -0.473 19354 1587 1 3 . 1 1 45 45 GLU C C 45 176.282 176.282 175.189 1.093 19354 1588 1 3 . 1 1 45 45 GLU CA C 45 57.502 57.502 55.964 1.538 19354 1589 1 3 . 1 1 45 45 GLU CB C 45 31.105 31.105 29.967 1.138 19354 1590 1 3 . 1 1 45 45 GLU H H 45 8.591 8.591 8.786 -0.195 19354 1591 1 3 . 1 1 46 46 LEU N N 46 119.826 119.826 119.435 0.391 19354 1592 1 3 . 1 1 46 46 LEU HA H 46 4.974 4.974 5.312 -0.338 19354 1593 1 3 . 1 1 46 46 LEU C C 46 175.420 175.420 176.471 -1.051 19354 1594 1 3 . 1 1 46 46 LEU CA C 46 53.202 53.202 53.199 0.003 19354 1595 1 3 . 1 1 46 46 LEU CB C 46 43.587 43.587 45.153 -1.565 19354 1596 1 3 . 1 1 46 46 LEU H H 46 8.176 8.176 7.728 0.448 19354 1597 1 3 . 1 1 47 47 SER N N 47 111.561 111.561 113.158 -1.597 19354 1598 1 3 . 1 1 47 47 SER HA H 47 5.020 5.020 4.549 0.471 19354 1599 1 3 . 1 1 47 47 SER C C 47 173.833 173.833 172.193 1.640 19354 1600 1 3 . 1 1 47 47 SER CA C 47 53.006 53.006 56.865 -3.859 19354 1601 1 3 . 1 1 47 47 SER CB C 47 64.691 64.691 64.938 -0.247 19354 1602 1 3 . 1 1 47 47 SER H H 47 7.924 7.924 8.412 -0.488 19354 1603 1 3 . 1 1 48 48 SER N N 48 111.459 111.459 120.885 -9.426 19354 1604 1 3 . 1 1 48 48 SER HA H 48 4.841 4.841 5.006 -0.165 19354 1605 1 3 . 1 1 48 48 SER C C 48 175.602 175.602 175.442 0.160 19354 1606 1 3 . 1 1 48 48 SER CA C 48 57.388 57.388 55.477 1.911 19354 1607 1 3 . 1 1 48 48 SER CB C 48 66.333 66.333 64.122 2.211 19354 1608 1 3 . 1 1 48 48 SER H H 48 8.628 8.628 8.693 -0.065 19354 1609 1 3 . 1 1 49 49 LEU N N 49 128.995 128.995 130.633 -1.638 19354 1610 1 3 . 1 1 49 49 LEU HA H 49 4.383 4.383 4.406 -0.023 19354 1611 1 3 . 1 1 49 49 LEU C C 49 179.571 179.571 178.126 1.445 19354 1612 1 3 . 1 1 49 49 LEU CA C 49 56.032 56.032 57.160 -1.128 19354 1613 1 3 . 1 1 49 49 LEU CB C 49 41.904 41.904 41.543 0.361 19354 1614 1 3 . 1 1 49 49 LEU H H 49 9.519 9.519 9.265 0.254 19354 1615 1 3 . 1 1 50 50 ASP N N 50 115.013 115.013 119.320 -4.307 19354 1616 1 3 . 1 1 50 50 ASP HA H 50 4.168 4.168 4.392 -0.224 19354 1617 1 3 . 1 1 50 50 ASP C C 50 176.486 176.486 178.157 -1.671 19354 1618 1 3 . 1 1 50 50 ASP CA C 50 58.352 58.352 56.536 1.816 19354 1619 1 3 . 1 1 50 50 ASP CB C 50 41.259 41.259 40.450 0.809 19354 1620 1 3 . 1 1 50 50 ASP H H 50 8.191 8.191 8.456 -0.265 19354 1621 1 3 . 1 1 51 51 LEU N N 51 118.298 118.298 118.037 0.261 19354 1622 1 3 . 1 1 51 51 LEU HA H 51 4.329 4.329 4.169 0.160 19354 1623 1 3 . 1 1 51 51 LEU C C 51 175.556 175.556 177.322 -1.766 19354 1624 1 3 . 1 1 51 51 LEU CA C 51 54.483 54.483 56.620 -2.137 19354 1625 1 3 . 1 1 51 51 LEU CB C 51 39.219 39.219 41.846 -2.627 19354 1626 1 3 . 1 1 51 51 LEU H H 51 8.732 8.732 7.749 0.983 19354 1627 1 3 . 1 1 52 52 THR N N 52 106.427 106.427 109.812 -3.385 19354 1628 1 3 . 1 1 52 52 THR HA H 52 2.784 2.784 4.520 -1.736 19354 1629 1 3 . 1 1 52 52 THR C C 52 172.812 172.812 173.770 -0.958 19354 1630 1 3 . 1 1 52 52 THR CA C 52 58.759 58.759 60.395 -1.636 19354 1631 1 3 . 1 1 52 52 THR CB C 52 71.985 71.985 71.208 0.777 19354 1632 1 3 . 1 1 52 52 THR H H 52 7.574 7.574 7.589 -0.015 19354 1633 1 3 . 1 1 53 53 ASP HA H 53 4.398 4.398 4.783 -0.385 19354 1634 1 3 . 1 1 53 53 ASP CA C 53 52.757 52.757 52.696 0.061 19354 1635 1 3 . 1 1 53 53 ASP CB C 53 40.737 40.737 39.269 1.468 19354 1636 1 3 . 1 1 54 54 PHE N N 54 117.929 117.929 117.866 0.063 19354 1637 1 3 . 1 1 54 54 PHE HA H 54 4.498 4.498 4.683 -0.185 19354 1638 1 3 . 1 1 54 54 PHE C C 54 176.169 176.169 175.195 0.974 19354 1639 1 3 . 1 1 54 54 PHE CA C 54 57.477 57.477 56.348 1.129 19354 1640 1 3 . 1 1 54 54 PHE CB C 54 39.270 39.270 40.700 -1.430 19354 1641 1 3 . 1 1 54 54 PHE H H 54 7.575 7.575 7.296 0.279 19354 1642 1 3 . 1 1 55 55 HIS N N 55 115.333 115.333 117.123 -1.790 19354 1643 1 3 . 1 1 55 55 HIS HA H 55 4.585 4.585 4.854 -0.269 19354 1644 1 3 . 1 1 55 55 HIS C C 55 175.080 175.080 174.064 1.016 19354 1645 1 3 . 1 1 55 55 HIS CA C 55 56.439 56.439 55.735 0.704 19354 1646 1 3 . 1 1 55 55 HIS CB C 55 31.104 31.104 31.507 -0.403 19354 1647 1 3 . 1 1 55 55 HIS H H 55 9.230 9.230 8.793 0.437 19354 1648 1 3 . 1 1 56 56 THR N N 56 106.891 106.891 111.791 -4.900 19354 1649 1 3 . 1 1 56 56 THR HA H 56 4.528 4.528 4.421 0.107 19354 1650 1 3 . 1 1 56 56 THR C C 56 173.696 173.696 174.089 -0.393 19354 1651 1 3 . 1 1 56 56 THR CA C 56 58.725 58.725 60.755 -2.030 19354 1652 1 3 . 1 1 56 56 THR CB C 56 72.851 72.851 70.255 2.595 19354 1653 1 3 . 1 1 56 56 THR H H 56 7.343 7.343 7.353 -0.010 19354 1654 1 3 . 1 1 57 57 GLU N N 57 121.798 121.798 124.115 -2.317 19354 1655 1 3 . 1 1 57 57 GLU HA H 57 3.611 3.611 3.843 -0.232 19354 1656 1 3 . 1 1 57 57 GLU C C 57 178.417 178.417 178.200 0.217 19354 1657 1 3 . 1 1 57 57 GLU CA C 57 59.380 59.380 59.756 -0.376 19354 1658 1 3 . 1 1 57 57 GLU CB C 57 29.873 29.873 29.523 0.350 19354 1659 1 3 . 1 1 57 57 GLU H H 57 8.841 8.841 8.688 0.153 19354 1660 1 3 . 1 1 58 58 LYS N N 58 121.091 121.091 118.139 2.952 19354 1661 1 3 . 1 1 58 58 LYS HA H 58 3.903 3.903 3.905 -0.002 19354 1662 1 3 . 1 1 58 58 LYS C C 58 177.745 177.745 178.859 -1.114 19354 1663 1 3 . 1 1 58 58 LYS CA C 58 59.470 59.470 59.173 0.297 19354 1664 1 3 . 1 1 58 58 LYS CB C 58 32.130 32.130 31.821 0.309 19354 1665 1 3 . 1 1 58 58 LYS H H 58 8.307 8.307 7.711 0.596 19354 1666 1 3 . 1 1 59 59 GLU N N 59 117.790 117.790 119.545 -1.755 19354 1667 1 3 . 1 1 59 59 GLU HA H 59 3.852 3.852 3.963 -0.111 19354 1668 1 3 . 1 1 59 59 GLU C C 59 178.051 178.051 178.232 -0.181 19354 1669 1 3 . 1 1 59 59 GLU CA C 59 59.094 59.094 59.148 -0.054 19354 1670 1 3 . 1 1 59 59 GLU CB C 59 30.468 30.468 29.302 1.166 19354 1671 1 3 . 1 1 59 59 GLU H H 59 7.537 7.537 7.665 -0.128 19354 1672 1 3 . 1 1 60 60 LEU N N 60 118.763 118.763 120.945 -2.182 19354 1673 1 3 . 1 1 60 60 LEU HA H 60 3.211 3.211 2.826 0.385 19354 1674 1 3 . 1 1 60 60 LEU C C 60 178.070 178.070 178.285 -0.215 19354 1675 1 3 . 1 1 60 60 LEU CA C 60 59.007 59.007 57.008 1.999 19354 1676 1 3 . 1 1 60 60 LEU CB C 60 42.750 42.750 41.761 0.989 19354 1677 1 3 . 1 1 60 60 LEU H H 60 7.321 7.321 7.062 0.259 19354 1678 1 3 . 1 1 61 61 ASN N N 61 116.987 116.987 116.283 0.704 19354 1679 1 3 . 1 1 61 61 ASN HA H 61 4.127 4.127 4.245 -0.118 19354 1680 1 3 . 1 1 61 61 ASN C C 61 177.689 177.689 177.287 0.402 19354 1681 1 3 . 1 1 61 61 ASN CA C 61 57.310 57.310 56.106 1.204 19354 1682 1 3 . 1 1 61 61 ASN CB C 61 39.288 39.288 38.618 0.670 19354 1683 1 3 . 1 1 61 61 ASN H H 61 8.335 8.335 7.890 0.445 19354 1684 1 3 . 1 1 62 62 ASP N N 62 120.935 120.935 119.803 1.132 19354 1685 1 3 . 1 1 62 62 ASP HA H 62 4.306 4.306 4.354 -0.048 19354 1686 1 3 . 1 1 62 62 ASP C C 62 178.868 178.868 178.580 0.288 19354 1687 1 3 . 1 1 62 62 ASP CA C 62 57.510 57.510 56.742 0.768 19354 1688 1 3 . 1 1 62 62 ASP CB C 62 39.596 39.596 41.152 -1.556 19354 1689 1 3 . 1 1 62 62 ASP H H 62 8.376 8.376 7.845 0.531 19354 1690 1 3 . 1 1 63 63 LYS N N 63 119.626 119.626 120.437 -0.811 19354 1691 1 3 . 1 1 63 63 LYS HA H 63 4.168 4.168 4.142 0.026 19354 1692 1 3 . 1 1 63 63 LYS C C 63 179.458 179.458 178.636 0.822 19354 1693 1 3 . 1 1 63 63 LYS CA C 63 55.698 55.698 58.588 -2.890 19354 1694 1 3 . 1 1 63 63 LYS CB C 63 31.082 31.082 32.038 -0.955 19354 1695 1 3 . 1 1 63 63 LYS H H 63 7.748 7.748 7.599 0.149 19354 1696 1 3 . 1 1 64 64 LEU N N 64 120.255 120.255 120.585 -0.330 19354 1697 1 3 . 1 1 64 64 LEU HA H 64 3.688 3.688 4.088 -0.400 19354 1698 1 3 . 1 1 64 64 LEU C C 64 178.732 178.732 178.248 0.484 19354 1699 1 3 . 1 1 64 64 LEU CA C 64 57.722 57.722 58.753 -1.031 19354 1700 1 3 . 1 1 64 64 LEU CB C 64 41.236 41.236 41.686 -0.450 19354 1701 1 3 . 1 1 64 64 LEU H H 64 8.221 8.221 7.550 0.671 19354 1702 1 3 . 1 1 65 65 ASN N N 65 113.630 113.630 116.672 -3.042 19354 1703 1 3 . 1 1 65 65 ASN HA H 65 4.580 4.580 4.209 0.371 19354 1704 1 3 . 1 1 65 65 ASN C C 65 178.394 178.394 177.478 0.916 19354 1705 1 3 . 1 1 65 65 ASN CA C 65 55.628 55.628 56.373 -0.745 19354 1706 1 3 . 1 1 65 65 ASN CB C 65 38.269 38.269 37.938 0.331 19354 1707 1 3 . 1 1 65 65 ASN H H 65 7.482 7.482 7.649 -0.167 19354 1708 1 3 . 1 1 66 66 ASP N N 66 120.683 120.683 120.175 0.508 19354 1709 1 3 . 1 1 66 66 ASP HA H 66 4.482 4.482 4.439 0.043 19354 1710 1 3 . 1 1 66 66 ASP C C 66 179.095 179.095 178.888 0.207 19354 1711 1 3 . 1 1 66 66 ASP CA C 66 56.623 56.623 57.337 -0.714 19354 1712 1 3 . 1 1 66 66 ASP CB C 66 39.883 39.883 41.099 -1.216 19354 1713 1 3 . 1 1 66 66 ASP H H 66 7.834 7.834 8.200 -0.366 19354 1714 1 3 . 1 1 67 67 TYR N N 67 116.512 116.512 120.182 -3.670 19354 1715 1 3 . 1 1 67 67 TYR HA H 67 3.984 3.984 4.392 -0.408 19354 1716 1 3 . 1 1 67 67 TYR C C 67 176.554 176.554 178.033 -1.479 19354 1717 1 3 . 1 1 67 67 TYR CA C 67 62.142 62.142 60.537 1.605 19354 1718 1 3 . 1 1 67 67 TYR CB C 67 37.436 37.436 38.243 -0.807 19354 1719 1 3 . 1 1 67 67 TYR H H 67 8.132 8.132 7.778 0.354 19354 1720 1 3 . 1 1 68 68 TYR N N 68 118.786 118.786 120.678 -1.892 19354 1721 1 3 . 1 1 68 68 TYR HA H 68 3.632 3.632 3.242 0.390 19354 1722 1 3 . 1 1 68 68 TYR C C 68 177.915 177.915 177.690 0.225 19354 1723 1 3 . 1 1 68 68 TYR CA C 68 61.395 61.395 61.673 -0.278 19354 1724 1 3 . 1 1 68 68 TYR CB C 68 37.345 37.345 37.337 0.008 19354 1725 1 3 . 1 1 68 68 TYR H H 68 7.558 7.558 8.330 -0.772 19354 1726 1 3 . 1 1 69 69 ALA N N 69 120.715 120.715 121.902 -1.187 19354 1727 1 3 . 1 1 69 69 ALA HA H 69 3.935 3.935 3.966 -0.031 19354 1728 1 3 . 1 1 69 69 ALA C C 69 179.390 179.390 179.258 0.132 19354 1729 1 3 . 1 1 69 69 ALA CA C 69 54.015 54.015 54.645 -0.631 19354 1730 1 3 . 1 1 69 69 ALA CB C 69 18.529 18.529 17.798 0.731 19354 1731 1 3 . 1 1 69 69 ALA H H 69 7.453 7.453 7.746 -0.293 19354 1732 1 3 . 1 1 70 70 LEU N N 70 117.212 117.212 119.216 -2.004 19354 1733 1 3 . 1 1 70 70 LEU HA H 70 3.765 3.765 3.983 -0.218 19354 1734 1 3 . 1 1 70 70 LEU C C 70 177.280 177.280 177.952 -0.672 19354 1735 1 3 . 1 1 70 70 LEU CA C 70 56.634 56.634 56.665 -0.031 19354 1736 1 3 . 1 1 70 70 LEU CB C 70 41.045 41.045 41.905 -0.860 19354 1737 1 3 . 1 1 70 70 LEU H H 70 7.764 7.764 8.101 -0.337 19354 1738 1 3 . 1 1 71 71 LYS N N 71 118.756 118.756 118.929 -0.173 19354 1739 1 3 . 1 1 71 71 LYS HA H 71 3.039 3.039 3.500 -0.461 19354 1740 1 3 . 1 1 71 71 LYS C C 71 177.121 177.121 177.806 -0.685 19354 1741 1 3 . 1 1 71 71 LYS CA C 71 58.865 58.865 58.757 0.108 19354 1742 1 3 . 1 1 71 71 LYS CB C 71 31.247 31.247 30.875 0.372 19354 1743 1 3 . 1 1 71 71 LYS H H 71 7.001 7.001 7.986 -0.985 19354 1744 1 3 . 1 1 72 72 HIS N N 72 113.331 113.331 118.436 -5.105 19354 1745 1 3 . 1 1 72 72 HIS HA H 72 4.304 4.304 4.284 0.020 19354 1746 1 3 . 1 1 72 72 HIS C C 72 174.232 174.232 175.944 -1.712 19354 1747 1 3 . 1 1 72 72 HIS CA C 72 57.245 57.245 58.631 -1.386 19354 1748 1 3 . 1 1 72 72 HIS CB C 72 30.221 30.221 30.474 -0.253 19354 1749 1 3 . 1 1 72 72 HIS H H 72 6.973 6.973 7.547 -0.574 19354 1750 1 3 . 1 1 73 73 VAL N N 73 121.486 121.486 120.821 0.665 19354 1751 1 3 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.418 0.113 19354 1752 1 3 . 1 1 73 73 VAL CA C 73 59.159 59.159 59.909 -0.750 19354 1753 1 3 . 1 1 73 73 VAL CB C 73 30.604 30.604 32.661 -2.057 19354 1754 1 3 . 1 1 73 73 VAL H H 73 7.821 7.821 7.906 -0.085 19354 1755 1 3 . 1 1 74 74 PRO HA H 74 4.070 4.070 4.682 -0.612 19354 1756 1 3 . 1 1 74 74 PRO CA C 74 66.637 66.637 65.142 1.495 19354 1757 1 3 . 1 1 74 74 PRO CB C 74 32.212 32.212 32.078 0.134 19354 1758 1 3 . 1 1 75 75 LYS N N 75 116.832 116.832 118.991 -2.159 19354 1759 1 3 . 1 1 75 75 LYS HA H 75 4.099 4.099 4.191 -0.092 19354 1760 1 3 . 1 1 75 75 LYS C C 75 180.048 180.048 178.088 1.960 19354 1761 1 3 . 1 1 75 75 LYS CA C 75 59.398 59.398 59.054 0.344 19354 1762 1 3 . 1 1 75 75 LYS CB C 75 31.296 31.296 31.747 -0.451 19354 1763 1 3 . 1 1 75 75 LYS H H 75 9.234 9.234 8.758 0.476 19354 1764 1 3 . 1 1 76 76 CYS N N 76 116.333 116.333 117.850 -1.517 19354 1765 1 3 . 1 1 76 76 CYS HA H 76 4.320 4.320 4.675 -0.355 19354 1766 1 3 . 1 1 76 76 CYS C C 76 175.012 175.012 176.376 -1.364 19354 1767 1 3 . 1 1 76 76 CYS CA C 76 58.297 58.297 60.410 -2.113 19354 1768 1 3 . 1 1 76 76 CYS CB C 76 38.803 38.803 27.852 10.951 19354 1769 1 3 . 1 1 76 76 CYS H H 76 7.496 7.496 7.779 -0.283 19354 1770 1 3 . 1 1 77 77 TRP N N 77 119.987 119.987 123.122 -3.135 19354 1771 1 3 . 1 1 77 77 TRP HA H 77 4.452 4.452 4.295 0.157 19354 1772 1 3 . 1 1 77 77 TRP C C 77 177.462 177.462 177.867 -0.405 19354 1773 1 3 . 1 1 77 77 TRP CA C 77 58.821 58.821 60.109 -1.288 19354 1774 1 3 . 1 1 77 77 TRP CB C 77 30.425 30.425 29.247 1.178 19354 1775 1 3 . 1 1 77 77 TRP H H 77 8.254 8.254 8.670 -0.416 19354 1776 1 3 . 1 1 78 78 ALA N N 78 116.093 116.093 119.549 -3.456 19354 1777 1 3 . 1 1 78 78 ALA HA H 78 3.736 3.736 3.536 0.200 19354 1778 1 3 . 1 1 78 78 ALA C C 78 178.845 178.845 178.866 -0.021 19354 1779 1 3 . 1 1 78 78 ALA CA C 78 54.188 54.188 53.825 0.363 19354 1780 1 3 . 1 1 78 78 ALA CB C 78 18.323 18.323 17.744 0.579 19354 1781 1 3 . 1 1 78 78 ALA H H 78 7.968 7.968 7.964 0.004 19354 1782 1 3 . 1 1 79 79 ALA N N 79 116.351 116.351 120.627 -4.276 19354 1783 1 3 . 1 1 79 79 ALA HA H 79 4.147 4.147 4.179 -0.032 19354 1784 1 3 . 1 1 79 79 ALA C C 79 178.414 178.414 177.915 0.499 19354 1785 1 3 . 1 1 79 79 ALA CA C 79 53.243 53.243 54.083 -0.840 19354 1786 1 3 . 1 1 79 79 ALA CB C 79 19.832 19.832 19.109 0.723 19354 1787 1 3 . 1 1 79 79 ALA H H 79 6.929 6.929 7.244 -0.315 19354 1788 1 3 . 1 1 80 80 ILE N N 80 115.150 115.150 117.179 -2.029 19354 1789 1 3 . 1 1 80 80 ILE HA H 80 4.218 4.218 4.162 0.056 19354 1790 1 3 . 1 1 80 80 ILE C C 80 176.350 176.350 176.138 0.212 19354 1791 1 3 . 1 1 80 80 ILE CA C 80 62.069 62.069 59.830 2.239 19354 1792 1 3 . 1 1 80 80 ILE CB C 80 39.375 39.375 37.934 1.441 19354 1793 1 3 . 1 1 80 80 ILE H H 80 8.695 8.695 7.461 1.234 19354 1794 1 3 . 1 1 81 81 GLN N N 81 122.564 122.564 121.494 1.070 19354 1795 1 3 . 1 1 81 81 GLN HA H 81 3.332 3.332 3.889 -0.557 19354 1796 1 3 . 1 1 81 81 GLN C C 81 173.470 173.470 175.153 -1.683 19354 1797 1 3 . 1 1 81 81 GLN CA C 81 61.829 61.829 61.070 0.759 19354 1798 1 3 . 1 1 81 81 GLN CB C 81 25.973 25.973 26.961 -0.988 19354 1799 1 3 . 1 1 81 81 GLN H H 81 7.315 7.315 7.289 0.026 19354 1800 1 3 . 1 1 82 82 PRO HA H 82 4.076 4.076 4.198 -0.122 19354 1801 1 3 . 1 1 82 82 PRO CA C 82 65.894 65.894 64.732 1.162 19354 1802 1 3 . 1 1 82 82 PRO CB C 82 30.481 30.481 31.506 -1.025 19354 1803 1 3 . 1 1 83 83 PHE N N 83 119.137 119.137 118.866 0.271 19354 1804 1 3 . 1 1 83 83 PHE HA H 83 4.289 4.289 4.340 -0.051 19354 1805 1 3 . 1 1 83 83 PHE C C 83 175.919 175.919 175.973 -0.054 19354 1806 1 3 . 1 1 83 83 PHE CA C 83 59.712 59.712 56.831 2.881 19354 1807 1 3 . 1 1 83 83 PHE CB C 83 39.329 39.329 38.790 0.539 19354 1808 1 3 . 1 1 83 83 PHE H H 83 6.892 6.892 7.867 -0.975 19354 1809 1 3 . 1 1 84 84 LEU N N 84 116.693 116.693 119.603 -2.910 19354 1810 1 3 . 1 1 84 84 LEU HA H 84 3.611 3.611 3.250 0.361 19354 1811 1 3 . 1 1 84 84 LEU C C 84 180.297 180.297 177.465 2.832 19354 1812 1 3 . 1 1 84 84 LEU CA C 84 57.952 57.952 57.231 0.721 19354 1813 1 3 . 1 1 84 84 LEU CB C 84 41.645 41.645 40.543 1.102 19354 1814 1 3 . 1 1 84 84 LEU H H 84 8.589 8.589 7.685 0.904 19354 1815 1 3 . 1 1 85 85 CYS N N 85 115.085 115.085 115.650 -0.565 19354 1816 1 3 . 1 1 85 85 CYS HA H 85 4.127 4.127 4.372 -0.245 19354 1817 1 3 . 1 1 85 85 CYS C C 85 175.556 175.556 176.002 -0.446 19354 1818 1 3 . 1 1 85 85 CYS CA C 85 57.678 57.678 60.537 -2.859 19354 1819 1 3 . 1 1 85 85 CYS CB C 85 39.396 39.396 27.604 11.792 19354 1820 1 3 . 1 1 85 85 CYS H H 85 8.001 8.001 7.209 0.792 19354 1821 1 3 . 1 1 86 86 ALA N N 86 121.743 121.743 121.401 0.342 19354 1822 1 3 . 1 1 86 86 ALA HA H 86 3.922 3.922 4.257 -0.335 19354 1823 1 3 . 1 1 86 86 ALA C C 86 177.745 177.745 177.158 0.587 19354 1824 1 3 . 1 1 86 86 ALA CA C 86 54.306 54.306 53.617 0.688 19354 1825 1 3 . 1 1 86 86 ALA CB C 86 18.778 18.778 18.145 0.633 19354 1826 1 3 . 1 1 86 86 ALA H H 86 7.671 7.671 7.602 0.069 19354 1827 1 3 . 1 1 87 87 VAL N N 87 115.667 115.667 115.511 0.156 19354 1828 1 3 . 1 1 87 87 VAL HA H 87 3.735 3.735 3.508 0.227 19354 1829 1 3 . 1 1 87 87 VAL C C 87 175.806 175.806 174.557 1.249 19354 1830 1 3 . 1 1 87 87 VAL CA C 87 64.622 64.622 62.346 2.276 19354 1831 1 3 . 1 1 87 87 VAL CB C 87 32.936 32.936 31.775 1.161 19354 1832 1 3 . 1 1 87 87 VAL H H 87 7.460 7.460 7.047 0.413 19354 1833 1 3 . 1 1 88 88 PHE N N 88 115.306 115.306 115.853 -0.547 19354 1834 1 3 . 1 1 88 88 PHE HA H 88 4.048 4.048 4.700 -0.652 19354 1835 1 3 . 1 1 88 88 PHE C C 88 176.192 176.192 175.195 0.997 19354 1836 1 3 . 1 1 88 88 PHE CA C 88 60.420 60.420 57.899 2.521 19354 1837 1 3 . 1 1 88 88 PHE CB C 88 40.182 40.182 40.545 -0.363 19354 1838 1 3 . 1 1 88 88 PHE H H 88 8.930 8.930 6.998 1.932 19354 1839 1 3 . 1 1 89 89 LYS N N 89 115.470 115.470 118.996 -3.526 19354 1840 1 3 . 1 1 89 89 LYS HA H 89 4.816 4.816 4.806 0.010 19354 1841 1 3 . 1 1 89 89 LYS C C 89 184.176 184.176 174.072 10.104 19354 1842 1 3 . 1 1 89 89 LYS CA C 89 53.428 53.428 53.528 -0.100 19354 1843 1 3 . 1 1 89 89 LYS CB C 89 33.274 33.274 32.600 0.673 19354 1844 1 3 . 1 1 89 89 LYS H H 89 7.802 7.802 7.581 0.221 19354 1845 1 3 . 1 1 90 90 PRO HA H 90 4.250 4.250 4.296 -0.046 19354 1846 1 3 . 1 1 90 90 PRO CA C 90 62.682 62.682 62.632 0.050 19354 1847 1 3 . 1 1 90 90 PRO CB C 90 32.358 32.358 32.350 0.008 19354 1848 1 3 . 1 1 91 91 LYS N N 91 122.391 122.391 122.907 -0.516 19354 1849 1 3 . 1 1 91 91 LYS HA H 91 3.039 3.039 2.117 0.922 19354 1850 1 3 . 1 1 91 91 LYS C C 91 173.356 173.356 175.370 -2.014 19354 1851 1 3 . 1 1 91 91 LYS CA C 91 58.027 58.027 56.353 1.674 19354 1852 1 3 . 1 1 91 91 LYS CB C 91 31.285 31.285 31.806 -0.521 19354 1853 1 3 . 1 1 91 91 LYS H H 91 8.537 8.537 8.213 0.324 19354 1854 1 3 . 1 1 92 92 CYS N N 92 127.562 127.562 124.753 2.809 19354 1855 1 3 . 1 1 92 92 CYS HA H 92 5.391 5.391 4.526 0.866 19354 1856 1 3 . 1 1 92 92 CYS C C 92 171.655 171.655 173.741 -2.086 19354 1857 1 3 . 1 1 92 92 CYS CA C 92 53.804 53.804 57.975 -4.171 19354 1858 1 3 . 1 1 92 92 CYS CB C 92 41.219 41.219 27.188 14.031 19354 1859 1 3 . 1 1 92 92 CYS H H 92 7.037 7.037 7.952 -0.915 19354 1860 1 3 . 1 1 93 93 GLU N N 93 124.483 124.483 126.217 -1.734 19354 1861 1 3 . 1 1 93 93 GLU HA H 93 4.492 4.492 4.684 -0.192 19354 1862 1 3 . 1 1 93 93 GLU C C 93 173.371 173.371 174.127 -0.756 19354 1863 1 3 . 1 1 93 93 GLU CA C 93 54.874 54.874 54.387 0.487 19354 1864 1 3 . 1 1 93 93 GLU CB C 93 34.630 34.630 32.698 1.932 19354 1865 1 3 . 1 1 93 93 GLU H H 93 9.401 9.401 8.014 1.387 19354 1866 1 3 . 1 1 94 94 LYS N N 94 122.694 122.694 121.265 1.429 19354 1867 1 3 . 1 1 94 94 LYS HA H 94 4.581 4.581 4.771 -0.190 19354 1868 1 3 . 1 1 94 94 LYS C C 94 176.509 176.509 176.285 0.224 19354 1869 1 3 . 1 1 94 94 LYS CA C 94 55.856 55.856 55.409 0.447 19354 1870 1 3 . 1 1 94 94 LYS CB C 94 31.809 31.809 33.437 -1.628 19354 1871 1 3 . 1 1 94 94 LYS H H 94 8.526 8.526 8.516 0.010 19354 1872 1 3 . 1 1 95 95 ILE N N 95 128.382 128.382 126.137 2.245 19354 1873 1 3 . 1 1 95 95 ILE HA H 95 4.049 4.049 4.185 -0.136 19354 1874 1 3 . 1 1 95 95 ILE C C 95 176.337 176.337 176.175 0.162 19354 1875 1 3 . 1 1 95 95 ILE CA C 95 60.847 60.847 60.084 0.763 19354 1876 1 3 . 1 1 95 95 ILE CB C 95 39.625 39.625 38.544 1.081 19354 1877 1 3 . 1 1 95 95 ILE H H 95 9.001 9.001 8.484 0.517 19354 1878 1 3 . 1 1 96 96 ASN N N 96 127.596 127.596 127.742 -0.146 19354 1879 1 3 . 1 1 96 96 ASN HA H 96 4.212 4.212 4.374 -0.162 19354 1880 1 3 . 1 1 96 96 ASN C C 96 175.496 175.496 175.153 0.343 19354 1881 1 3 . 1 1 96 96 ASN CA C 96 53.970 53.970 53.600 0.370 19354 1882 1 3 . 1 1 96 96 ASN CB C 96 37.238 37.238 37.968 -0.730 19354 1883 1 3 . 1 1 96 96 ASN H H 96 9.474 9.474 9.384 0.090 19354 1884 1 3 . 1 1 97 97 GLY N N 97 101.656 101.656 102.460 -0.804 19354 1885 1 3 . 1 1 97 97 GLY C C 97 173.651 173.651 173.831 -0.180 19354 1886 1 3 . 1 1 97 97 GLY CA C 97 45.167 45.167 44.987 0.180 19354 1887 1 3 . 1 1 97 97 GLY H H 97 8.476 8.476 8.329 0.147 19354 1888 1 3 . 1 1 98 98 GLU N N 98 120.042 120.042 121.152 -1.110 19354 1889 1 3 . 1 1 98 98 GLU HA H 98 4.587 4.587 4.456 0.131 19354 1890 1 3 . 1 1 98 98 GLU C C 98 174.422 174.422 175.176 -0.754 19354 1891 1 3 . 1 1 98 98 GLU CA C 98 54.294 54.294 54.494 -0.200 19354 1892 1 3 . 1 1 98 98 GLU CB C 98 32.934 32.934 31.357 1.577 19354 1893 1 3 . 1 1 98 98 GLU H H 98 7.591 7.591 7.946 -0.355 19354 1894 1 3 . 1 1 99 99 ASP N N 99 126.603 126.603 127.465 -0.862 19354 1895 1 3 . 1 1 99 99 ASP HA H 99 4.340 4.340 4.417 -0.077 19354 1896 1 3 . 1 1 99 99 ASP C C 99 176.214 176.214 175.468 0.746 19354 1897 1 3 . 1 1 99 99 ASP CA C 99 55.408 55.408 56.435 -1.027 19354 1898 1 3 . 1 1 99 99 ASP CB C 99 41.629 41.629 40.943 0.686 19354 1899 1 3 . 1 1 99 99 ASP H H 99 8.489 8.489 8.733 -0.244 19354 1900 1 3 . 1 1 100 100 MET N N 100 121.977 121.977 121.460 0.517 19354 1901 1 3 . 1 1 100 100 MET HA H 100 4.911 4.911 5.438 -0.527 19354 1902 1 3 . 1 1 100 100 MET C C 100 172.900 172.900 174.838 -1.938 19354 1903 1 3 . 1 1 100 100 MET CA C 100 53.649 53.649 53.462 0.187 19354 1904 1 3 . 1 1 100 100 MET CB C 100 35.529 35.529 37.246 -1.717 19354 1905 1 3 . 1 1 100 100 MET H H 100 8.853 8.853 8.573 0.280 19354 1906 1 3 . 1 1 101 101 VAL N N 101 119.963 119.963 113.444 6.519 19354 1907 1 3 . 1 1 101 101 VAL HA H 101 4.814 4.814 4.466 0.348 19354 1908 1 3 . 1 1 101 101 VAL C C 101 172.991 172.991 172.996 -0.005 19354 1909 1 3 . 1 1 101 101 VAL CA C 101 58.203 58.203 59.537 -1.334 19354 1910 1 3 . 1 1 101 101 VAL CB C 101 34.629 34.629 35.078 -0.449 19354 1911 1 3 . 1 1 101 101 VAL H H 101 8.964 8.964 8.174 0.790 19354 1912 1 3 . 1 1 102 102 TYR N N 102 125.849 125.849 121.725 4.124 19354 1913 1 3 . 1 1 102 102 TYR HA H 102 4.444 4.444 5.041 -0.597 19354 1914 1 3 . 1 1 102 102 TYR C C 102 176.464 176.464 175.880 0.584 19354 1915 1 3 . 1 1 102 102 TYR CA C 102 57.549 57.549 57.466 0.083 19354 1916 1 3 . 1 1 102 102 TYR CB C 102 38.274 38.274 40.618 -2.344 19354 1917 1 3 . 1 1 102 102 TYR H H 102 8.137 8.137 7.697 0.440 19354 1918 1 3 . 1 1 103 103 LEU N N 103 123.151 123.151 121.557 1.594 19354 1919 1 3 . 1 1 103 103 LEU HA H 103 4.683 4.683 5.034 -0.351 19354 1920 1 3 . 1 1 103 103 LEU CA C 103 52.426 52.426 51.194 1.232 19354 1921 1 3 . 1 1 103 103 LEU CB C 103 42.038 42.038 41.959 0.079 19354 1922 1 3 . 1 1 103 103 LEU H H 103 8.308 8.308 8.129 0.179 19354 1923 1 3 . 1 1 104 104 PRO HA H 104 4.678 4.678 4.487 0.191 19354 1924 1 3 . 1 1 104 104 PRO CA C 104 61.704 61.704 62.679 -0.975 19354 1925 1 3 . 1 1 104 104 PRO CB C 104 32.020 32.020 32.361 -0.341 19354 1926 1 3 . 1 1 105 105 SER N N 105 113.955 113.955 114.248 -0.293 19354 1927 1 3 . 1 1 105 105 SER HA H 105 4.632 4.632 4.649 -0.017 19354 1928 1 3 . 1 1 105 105 SER C C 105 175.473 175.473 175.982 -0.509 19354 1929 1 3 . 1 1 105 105 SER CA C 105 56.324 56.324 56.400 -0.076 19354 1930 1 3 . 1 1 105 105 SER CB C 105 65.193 65.193 65.130 0.063 19354 1931 1 3 . 1 1 105 105 SER H H 105 7.668 7.668 8.069 -0.401 19354 1932 1 3 . 1 1 106 106 TYR N N 106 122.582 122.582 120.131 2.451 19354 1933 1 3 . 1 1 106 106 TYR HA H 106 3.724 3.724 4.169 -0.445 19354 1934 1 3 . 1 1 106 106 TYR C C 106 178.116 178.116 177.685 0.431 19354 1935 1 3 . 1 1 106 106 TYR CA C 106 62.057 62.057 60.850 1.207 19354 1936 1 3 . 1 1 106 106 TYR CB C 106 37.925 37.925 37.635 0.290 19354 1937 1 3 . 1 1 106 106 TYR H H 106 8.492 8.492 9.147 -0.655 19354 1938 1 3 . 1 1 107 107 GLU N N 107 118.362 118.362 119.396 -1.034 19354 1939 1 3 . 1 1 107 107 GLU HA H 107 3.846 3.846 3.576 0.270 19354 1940 1 3 . 1 1 107 107 GLU C C 107 177.421 177.421 178.766 -1.345 19354 1941 1 3 . 1 1 107 107 GLU CA C 107 58.867 58.867 59.481 -0.614 19354 1942 1 3 . 1 1 107 107 GLU CB C 107 28.969 28.969 28.767 0.202 19354 1943 1 3 . 1 1 107 107 GLU H H 107 8.503 8.503 7.884 0.619 19354 1944 1 3 . 1 1 108 108 MET N N 108 116.221 116.221 117.155 -0.934 19354 1945 1 3 . 1 1 108 108 MET HA H 108 3.708 3.708 3.904 -0.196 19354 1946 1 3 . 1 1 108 108 MET C C 108 176.804 176.804 177.922 -1.118 19354 1947 1 3 . 1 1 108 108 MET CA C 108 58.648 58.648 58.465 0.183 19354 1948 1 3 . 1 1 108 108 MET CB C 108 33.058 33.058 31.607 1.452 19354 1949 1 3 . 1 1 108 108 MET H H 108 7.409 7.409 7.791 -0.382 19354 1950 1 3 . 1 1 109 109 CYS N N 109 114.131 114.131 115.492 -1.361 19354 1951 1 3 . 1 1 109 109 CYS HA H 109 3.857 3.857 3.900 -0.043 19354 1952 1 3 . 1 1 109 109 CYS C C 109 178.047 178.047 176.939 1.108 19354 1953 1 3 . 1 1 109 109 CYS CA C 109 58.737 58.737 60.780 -2.043 19354 1954 1 3 . 1 1 109 109 CYS CB C 109 35.006 35.006 25.906 9.100 19354 1955 1 3 . 1 1 109 109 CYS H H 109 6.817 6.817 7.777 -0.960 19354 1956 1 3 . 1 1 110 110 ARG N N 110 124.629 124.629 121.516 3.113 19354 1957 1 3 . 1 1 110 110 ARG HA H 110 3.376 3.376 4.036 -0.660 19354 1958 1 3 . 1 1 110 110 ARG C C 110 179.435 179.435 178.062 1.373 19354 1959 1 3 . 1 1 110 110 ARG CA C 110 59.641 59.641 59.202 0.439 19354 1960 1 3 . 1 1 110 110 ARG CB C 110 29.273 29.273 29.634 -0.361 19354 1961 1 3 . 1 1 110 110 ARG H H 110 8.885 8.885 7.606 1.279 19354 1962 1 3 . 1 1 111 111 ILE N N 111 113.379 113.379 117.546 -4.167 19354 1963 1 3 . 1 1 111 111 ILE HA H 111 3.796 3.796 3.756 0.040 19354 1964 1 3 . 1 1 111 111 ILE C C 111 175.624 175.624 177.434 -1.810 19354 1965 1 3 . 1 1 111 111 ILE CA C 111 63.811 63.811 64.139 -0.328 19354 1966 1 3 . 1 1 111 111 ILE CB C 111 38.229 38.229 36.640 1.589 19354 1967 1 3 . 1 1 111 111 ILE H H 111 7.422 7.422 8.086 -0.664 19354 1968 1 3 . 1 1 112 112 THR N N 112 109.403 109.403 109.526 -0.123 19354 1969 1 3 . 1 1 112 112 THR HA H 112 3.889 3.889 4.304 -0.415 19354 1970 1 3 . 1 1 112 112 THR C C 112 175.798 175.798 176.051 -0.253 19354 1971 1 3 . 1 1 112 112 THR CA C 112 62.856 62.856 64.368 -1.512 19354 1972 1 3 . 1 1 112 112 THR CB C 112 70.168 70.168 69.469 0.699 19354 1973 1 3 . 1 1 112 112 THR H H 112 7.574 7.574 7.449 0.125 19354 1974 1 3 . 1 1 113 113 MET N N 113 119.638 119.638 121.534 -1.896 19354 1975 1 3 . 1 1 113 113 MET HA H 113 3.541 3.541 4.518 -0.977 19354 1976 1 3 . 1 1 113 113 MET C C 113 177.174 177.174 177.473 -0.299 19354 1977 1 3 . 1 1 113 113 MET CA C 113 60.235 60.235 58.969 1.266 19354 1978 1 3 . 1 1 113 113 MET CB C 113 32.338 32.338 32.566 -0.228 19354 1979 1 3 . 1 1 113 113 MET H H 113 7.152 7.152 7.500 -0.348 19354 1980 1 3 . 1 1 114 114 GLU N N 114 117.224 117.224 118.163 -0.939 19354 1981 1 3 . 1 1 114 114 GLU HA H 114 4.114 4.114 4.225 -0.111 19354 1982 1 3 . 1 1 114 114 GLU CA C 114 60.422 60.422 60.043 0.379 19354 1983 1 3 . 1 1 114 114 GLU CB C 114 26.103 26.103 29.035 -2.932 19354 1984 1 3 . 1 1 114 114 GLU H H 114 8.580 8.580 7.749 0.831 19354 1985 1 3 . 1 1 115 115 PRO HA H 115 4.304 4.304 4.404 -0.100 19354 1986 1 3 . 1 1 115 115 PRO CA C 115 65.128 65.128 64.232 0.896 19354 1987 1 3 . 1 1 115 115 PRO CB C 115 31.141 31.141 32.009 -0.868 19354 1988 1 3 . 1 1 116 116 CYS N N 116 111.879 111.879 120.491 -8.612 19354 1989 1 3 . 1 1 116 116 CYS HA H 116 4.679 4.679 4.911 -0.232 19354 1990 1 3 . 1 1 116 116 CYS C C 116 174.808 174.808 175.239 -0.431 19354 1991 1 3 . 1 1 116 116 CYS CA C 116 54.060 54.060 57.729 -3.669 19354 1992 1 3 . 1 1 116 116 CYS CB C 116 42.879 42.879 26.242 16.637 19354 1993 1 3 . 1 1 116 116 CYS H H 116 7.208 7.208 8.275 -1.067 19354 1994 1 3 . 1 1 117 117 ARG N N 117 123.750 123.750 125.067 -1.317 19354 1995 1 3 . 1 1 117 117 ARG HA H 117 3.161 3.161 4.310 -1.149 19354 1996 1 3 . 1 1 117 117 ARG C C 117 178.210 178.210 177.041 1.169 19354 1997 1 3 . 1 1 117 117 ARG CA C 117 59.743 59.743 58.976 0.767 19354 1998 1 3 . 1 1 117 117 ARG CB C 117 29.486 29.486 30.610 -1.124 19354 1999 1 3 . 1 1 117 117 ARG H H 117 7.436 7.436 8.598 -1.162 19354 2000 1 3 . 1 1 118 118 ILE N N 118 116.384 116.384 118.943 -2.559 19354 2001 1 3 . 1 1 118 118 ILE HA H 118 4.000 4.000 4.125 -0.125 19354 2002 1 3 . 1 1 118 118 ILE C C 118 176.577 176.577 176.569 0.008 19354 2003 1 3 . 1 1 118 118 ILE CA C 118 63.166 63.166 63.397 -0.231 19354 2004 1 3 . 1 1 118 118 ILE CB C 118 37.781 37.781 37.143 0.638 19354 2005 1 3 . 1 1 118 118 ILE H H 118 8.130 8.130 8.254 -0.124 19354 2006 1 3 . 1 1 119 119 LEU N N 119 119.738 119.738 118.535 1.203 19354 2007 1 3 . 1 1 119 119 LEU HA H 119 4.540 4.540 4.436 0.104 19354 2008 1 3 . 1 1 119 119 LEU C C 119 178.346 178.346 177.349 0.997 19354 2009 1 3 . 1 1 119 119 LEU CA C 119 54.697 54.697 53.897 0.800 19354 2010 1 3 . 1 1 119 119 LEU CB C 119 42.872 42.872 39.973 2.899 19354 2011 1 3 . 1 1 119 119 LEU H H 119 7.771 7.771 7.681 0.090 19354 2012 1 3 . 1 1 120 120 TYR N N 120 121.945 121.945 116.705 5.240 19354 2013 1 3 . 1 1 120 120 TYR HA H 120 4.125 4.125 4.347 -0.222 19354 2014 1 3 . 1 1 120 120 TYR C C 120 176.169 176.169 175.593 0.576 19354 2015 1 3 . 1 1 120 120 TYR CA C 120 59.682 59.682 58.883 0.798 19354 2016 1 3 . 1 1 120 120 TYR CB C 120 37.180 37.180 38.413 -1.232 19354 2017 1 3 . 1 1 120 120 TYR H H 120 7.886 7.886 8.237 -0.351 19354 2018 1 3 . 1 1 121 121 ASN N N 121 115.992 115.992 111.369 4.623 19354 2019 1 3 . 1 1 121 121 ASN HA H 121 4.885 4.885 4.545 0.340 19354 2020 1 3 . 1 1 121 121 ASN C C 121 175.612 175.612 175.254 0.358 19354 2021 1 3 . 1 1 121 121 ASN CA C 121 52.670 52.670 53.329 -0.659 19354 2022 1 3 . 1 1 121 121 ASN CB C 121 38.058 38.058 38.714 -0.656 19354 2023 1 3 . 1 1 121 121 ASN H H 121 8.228 8.228 7.403 0.825 19354 2024 1 3 . 1 1 122 122 THR N N 122 109.094 109.094 117.206 -8.112 19354 2025 1 3 . 1 1 122 122 THR HA H 122 4.682 4.682 4.068 0.614 19354 2026 1 3 . 1 1 122 122 THR C C 122 175.844 175.844 175.502 0.342 19354 2027 1 3 . 1 1 122 122 THR CA C 122 61.815 61.815 63.309 -1.494 19354 2028 1 3 . 1 1 122 122 THR CB C 122 72.484 72.484 69.656 2.828 19354 2029 1 3 . 1 1 122 122 THR H H 122 7.649 7.649 7.677 -0.028 19354 2030 1 3 . 1 1 123 123 THR N N 123 112.067 112.067 117.722 -5.655 19354 2031 1 3 . 1 1 123 123 THR HA H 123 4.026 4.026 4.476 -0.450 19354 2032 1 3 . 1 1 123 123 THR C C 123 175.033 175.033 174.456 0.577 19354 2033 1 3 . 1 1 123 123 THR CA C 123 63.174 63.174 60.770 2.404 19354 2034 1 3 . 1 1 123 123 THR CB C 123 68.529 68.529 68.732 -0.203 19354 2035 1 3 . 1 1 123 123 THR H H 123 8.261 8.261 8.355 -0.094 19354 2036 1 3 . 1 1 124 124 PHE N N 124 118.139 118.139 121.201 -3.062 19354 2037 1 3 . 1 1 124 124 PHE HA H 124 4.153 4.153 4.249 -0.096 19354 2038 1 3 . 1 1 124 124 PHE C C 124 175.398 175.398 173.747 1.651 19354 2039 1 3 . 1 1 124 124 PHE CA C 124 59.890 59.890 58.501 1.389 19354 2040 1 3 . 1 1 124 124 PHE CB C 124 39.668 39.668 39.612 0.056 19354 2041 1 3 . 1 1 124 124 PHE H H 124 7.764 7.764 8.270 -0.506 19354 2042 1 3 . 1 1 125 125 PHE N N 125 118.447 118.447 116.433 2.014 19354 2043 1 3 . 1 1 125 125 PHE HA H 125 4.662 4.662 4.882 -0.220 19354 2044 1 3 . 1 1 125 125 PHE CA C 125 56.245 56.245 54.198 2.047 19354 2045 1 3 . 1 1 125 125 PHE CB C 125 38.810 38.810 38.477 0.333 19354 2046 1 3 . 1 1 125 125 PHE H H 125 7.670 7.670 7.727 -0.057 19354 2047 1 3 . 1 1 126 126 PRO HA H 126 4.398 4.398 4.362 0.036 19354 2048 1 3 . 1 1 126 126 PRO CA C 126 62.432 62.432 65.362 -2.930 19354 2049 1 3 . 1 1 126 126 PRO CB C 126 32.670 32.670 32.395 0.275 19354 2050 1 3 . 1 1 127 127 LYS N N 127 118.753 118.753 118.012 0.741 19354 2051 1 3 . 1 1 127 127 LYS HA H 127 3.580 3.580 4.134 -0.554 19354 2052 1 3 . 1 1 127 127 LYS C C 127 177.977 177.977 177.990 -0.013 19354 2053 1 3 . 1 1 127 127 LYS CA C 127 60.279 60.279 58.871 1.407 19354 2054 1 3 . 1 1 127 127 LYS CB C 127 31.599 31.599 31.698 -0.099 19354 2055 1 3 . 1 1 127 127 LYS H H 127 8.565 8.565 8.291 0.274 19354 2056 1 3 . 1 1 128 128 PHE N N 128 110.638 110.638 117.352 -6.714 19354 2057 1 3 . 1 1 128 128 PHE HA H 128 4.481 4.481 4.503 -0.022 19354 2058 1 3 . 1 1 128 128 PHE C C 128 173.946 173.946 175.210 -1.264 19354 2059 1 3 . 1 1 128 128 PHE CA C 128 57.841 57.841 59.659 -1.818 19354 2060 1 3 . 1 1 128 128 PHE CB C 128 36.807 36.807 39.146 -2.339 19354 2061 1 3 . 1 1 128 128 PHE H H 128 6.795 6.795 7.922 -1.127 19354 2062 1 3 . 1 1 129 129 LEU N N 129 119.653 119.653 119.038 0.615 19354 2063 1 3 . 1 1 129 129 LEU HA H 129 4.710 4.710 3.914 0.796 19354 2064 1 3 . 1 1 129 129 LEU C C 129 175.398 175.398 177.377 -1.979 19354 2065 1 3 . 1 1 129 129 LEU CA C 129 53.169 53.169 55.324 -2.155 19354 2066 1 3 . 1 1 129 129 LEU CB C 129 44.901 44.901 43.180 1.721 19354 2067 1 3 . 1 1 129 129 LEU H H 129 7.204 7.204 7.515 -0.311 19354 2068 1 3 . 1 1 130 130 ARG N N 130 116.807 116.807 115.492 1.315 19354 2069 1 3 . 1 1 130 130 ARG HA H 130 4.328 4.328 3.960 0.368 19354 2070 1 3 . 1 1 130 130 ARG C C 130 177.099 177.099 174.379 2.720 19354 2071 1 3 . 1 1 130 130 ARG CA C 130 55.250 55.250 57.181 -1.931 19354 2072 1 3 . 1 1 130 130 ARG CB C 130 30.355 30.355 27.449 2.906 19354 2073 1 3 . 1 1 130 130 ARG H H 130 7.090 7.090 8.588 -1.498 19354 2074 1 3 . 1 1 131 131 CYS N N 131 117.271 117.271 114.847 2.424 19354 2075 1 3 . 1 1 131 131 CYS HA H 131 4.588 4.588 4.846 -0.258 19354 2076 1 3 . 1 1 131 131 CYS C C 131 175.022 175.022 173.103 1.919 19354 2077 1 3 . 1 1 131 131 CYS CA C 131 54.449 54.449 56.862 -2.413 19354 2078 1 3 . 1 1 131 131 CYS CB C 131 34.958 34.958 30.869 4.090 19354 2079 1 3 . 1 1 131 131 CYS H H 131 8.210 8.210 8.176 0.034 19354 2080 1 3 . 1 1 132 132 ASN N N 132 120.232 120.232 121.658 -1.426 19354 2081 1 3 . 1 1 132 132 ASN HA H 132 4.811 4.811 4.629 0.182 19354 2082 1 3 . 1 1 132 132 ASN C C 132 175.080 175.080 174.634 0.446 19354 2083 1 3 . 1 1 132 132 ASN CA C 132 53.188 53.188 53.401 -0.213 19354 2084 1 3 . 1 1 132 132 ASN CB C 132 40.003 40.003 38.501 1.502 19354 2085 1 3 . 1 1 132 132 ASN H H 132 7.801 7.801 8.535 -0.734 19354 2086 1 3 . 1 1 133 133 GLU N N 133 123.435 123.435 121.952 1.483 19354 2087 1 3 . 1 1 133 133 GLU HA H 133 4.225 4.225 4.360 -0.135 19354 2088 1 3 . 1 1 133 133 GLU C C 133 176.447 176.447 176.690 -0.243 19354 2089 1 3 . 1 1 133 133 GLU CA C 133 57.928 57.928 57.558 0.370 19354 2090 1 3 . 1 1 133 133 GLU CB C 133 29.822 29.822 31.164 -1.342 19354 2091 1 3 . 1 1 133 133 GLU H H 133 9.086 9.086 8.615 0.471 19354 2092 1 3 . 1 1 134 134 THR N N 134 113.403 113.403 111.147 2.256 19354 2093 1 3 . 1 1 134 134 THR HA H 134 3.964 3.964 4.364 -0.400 19354 2094 1 3 . 1 1 134 134 THR C C 134 174.853 174.853 175.130 -0.277 19354 2095 1 3 . 1 1 134 134 THR CA C 134 63.694 63.694 61.893 1.801 19354 2096 1 3 . 1 1 134 134 THR CB C 134 68.841 68.841 68.906 -0.065 19354 2097 1 3 . 1 1 134 134 THR H H 134 8.067 8.067 8.185 -0.118 19354 2098 1 3 . 1 1 135 135 LEU N N 135 121.377 121.377 120.071 1.306 19354 2099 1 3 . 1 1 135 135 LEU HA H 135 3.964 3.964 4.159 -0.195 19354 2100 1 3 . 1 1 135 135 LEU C C 135 176.215 176.215 176.685 -0.470 19354 2101 1 3 . 1 1 135 135 LEU CA C 135 55.656 55.656 56.248 -0.592 19354 2102 1 3 . 1 1 135 135 LEU CB C 135 42.291 42.291 42.344 -0.053 19354 2103 1 3 . 1 1 135 135 LEU H H 135 7.448 7.448 7.667 -0.219 19354 2104 1 3 . 1 1 136 136 PHE N N 136 117.704 117.704 114.952 2.752 19354 2105 1 3 . 1 1 136 136 PHE HA H 136 5.202 5.202 4.621 0.581 19354 2106 1 3 . 1 1 136 136 PHE C C 136 179.412 179.412 172.955 6.457 19354 2107 1 3 . 1 1 136 136 PHE CA C 136 53.495 53.495 55.011 -1.516 19354 2108 1 3 . 1 1 136 136 PHE CB C 136 39.248 39.248 39.183 0.065 19354 2109 1 3 . 1 1 136 136 PHE H H 136 7.542 7.542 7.874 -0.332 19354 2110 1 3 . 1 1 137 137 PRO HA H 137 4.528 4.528 4.557 -0.029 19354 2111 1 3 . 1 1 137 137 PRO CA C 137 62.949 62.949 62.613 0.336 19354 2112 1 3 . 1 1 137 137 PRO CB C 137 32.242 32.242 32.600 -0.358 19354 2113 1 3 . 1 1 138 138 THR N N 138 114.025 114.025 109.017 5.008 19354 2114 1 3 . 1 1 138 138 THR HA H 138 4.324 4.324 4.049 0.275 19354 2115 1 3 . 1 1 138 138 THR C C 138 174.175 174.175 174.951 -0.776 19354 2116 1 3 . 1 1 138 138 THR CA C 138 61.863 61.863 63.094 -1.231 19354 2117 1 3 . 1 1 138 138 THR CB C 138 69.742 69.742 68.129 1.613 19354 2118 1 3 . 1 1 138 138 THR H H 138 8.452 8.452 8.648 -0.196 19354 2119 1 4 . 1 1 13 13 GLY N N 13 110.400 110.400 109.825 0.575 19354 2120 1 4 . 1 1 13 13 GLY C C 13 173.560 173.560 171.999 1.561 19354 2121 1 4 . 1 1 13 13 GLY CA C 13 45.111 45.111 45.710 -0.599 19354 2122 1 4 . 1 1 13 13 GLY H H 13 8.335 8.335 8.535 -0.200 19354 2123 1 4 . 1 1 14 14 LEU N N 14 121.222 121.222 122.095 -0.873 19354 2124 1 4 . 1 1 14 14 LEU HA H 14 4.378 4.378 4.675 -0.296 19354 2125 1 4 . 1 1 14 14 LEU C C 14 177.119 177.119 175.589 1.530 19354 2126 1 4 . 1 1 14 14 LEU CA C 14 54.838 54.838 55.088 -0.250 19354 2127 1 4 . 1 1 14 14 LEU CB C 14 42.429 42.429 43.973 -1.544 19354 2128 1 4 . 1 1 14 14 LEU H H 14 7.915 7.915 8.220 -0.305 19354 2129 1 4 . 1 1 15 15 VAL N N 15 123.222 123.222 124.784 -1.562 19354 2130 1 4 . 1 1 15 15 VAL HA H 15 4.335 4.335 3.987 0.348 19354 2131 1 4 . 1 1 15 15 VAL C C 15 175.602 175.602 176.434 -0.832 19354 2132 1 4 . 1 1 15 15 VAL CA C 15 59.375 59.375 61.480 -2.105 19354 2133 1 4 . 1 1 15 15 VAL CB C 15 33.197 33.197 31.592 1.605 19354 2134 1 4 . 1 1 15 15 VAL H H 15 8.297 8.297 8.320 -0.023 19354 2135 1 4 . 1 1 16 16 PRO HA H 16 4.379 4.379 4.205 0.174 19354 2136 1 4 . 1 1 16 16 PRO CA C 16 62.925 62.925 64.008 -1.083 19354 2137 1 4 . 1 1 16 16 PRO CB C 16 32.043 32.043 32.043 -0.000 19354 2138 1 4 . 1 1 17 17 ARG N N 17 122.742 122.742 116.876 5.866 19354 2139 1 4 . 1 1 17 17 ARG HA H 17 4.219 4.219 3.952 0.267 19354 2140 1 4 . 1 1 17 17 ARG C C 17 176.586 176.586 177.086 -0.500 19354 2141 1 4 . 1 1 17 17 ARG CA C 17 55.479 55.479 57.389 -1.911 19354 2142 1 4 . 1 1 17 17 ARG CB C 17 30.889 30.889 29.421 1.468 19354 2143 1 4 . 1 1 17 17 ARG H H 17 8.469 8.469 8.007 0.462 19354 2144 1 4 . 1 1 18 18 GLY N N 18 111.993 111.993 104.568 7.425 19354 2145 1 4 . 1 1 18 18 GLY C C 18 174.453 174.453 173.938 0.515 19354 2146 1 4 . 1 1 18 18 GLY CA C 18 45.670 45.670 45.743 -0.073 19354 2147 1 4 . 1 1 18 18 GLY H H 18 8.538 8.538 8.436 0.102 19354 2148 1 4 . 1 1 19 19 SER HA H 19 4.318 4.318 4.397 -0.079 19354 2149 1 4 . 1 1 19 19 SER CA C 19 58.480 58.480 57.938 0.541 19354 2150 1 4 . 1 1 19 19 SER CB C 19 63.535 63.535 63.819 -0.284 19354 2151 1 4 . 1 1 20 20 HIS N N 20 120.039 120.039 116.912 3.127 19354 2152 1 4 . 1 1 20 20 HIS HA H 20 4.678 4.678 4.194 0.484 19354 2153 1 4 . 1 1 20 20 HIS C C 20 174.263 174.263 174.020 0.243 19354 2154 1 4 . 1 1 20 20 HIS CA C 20 55.889 55.889 57.091 -1.202 19354 2155 1 4 . 1 1 20 20 HIS CB C 20 32.027 32.027 27.379 4.648 19354 2156 1 4 . 1 1 20 20 HIS H H 20 8.344 8.344 8.298 0.046 19354 2157 1 4 . 1 1 21 21 MET N N 21 120.453 120.453 114.467 5.986 19354 2158 1 4 . 1 1 21 21 MET HA H 21 4.676 4.676 4.493 0.183 19354 2159 1 4 . 1 1 21 21 MET C C 21 174.808 174.808 175.447 -0.639 19354 2160 1 4 . 1 1 21 21 MET CA C 21 54.232 54.232 55.754 -1.522 19354 2161 1 4 . 1 1 21 21 MET CB C 21 32.377 32.377 32.727 -0.350 19354 2162 1 4 . 1 1 21 21 MET H H 21 8.587 8.587 8.190 0.397 19354 2163 1 4 . 1 1 22 22 VAL N N 22 112.794 112.794 116.127 -3.333 19354 2164 1 4 . 1 1 22 22 VAL HA H 22 5.297 5.297 4.927 0.370 19354 2165 1 4 . 1 1 22 22 VAL C C 22 175.218 175.218 174.100 1.118 19354 2166 1 4 . 1 1 22 22 VAL CA C 22 57.885 57.885 60.008 -2.123 19354 2167 1 4 . 1 1 22 22 VAL CB C 22 35.895 35.895 35.660 0.235 19354 2168 1 4 . 1 1 22 22 VAL H H 22 7.805 7.805 7.505 0.300 19354 2169 1 4 . 1 1 23 23 ARG N N 23 117.854 117.854 120.724 -2.870 19354 2170 1 4 . 1 1 23 23 ARG HA H 23 4.578 4.578 4.665 -0.087 19354 2171 1 4 . 1 1 23 23 ARG C C 23 174.128 174.128 174.780 -0.652 19354 2172 1 4 . 1 1 23 23 ARG CA C 23 54.192 54.192 54.682 -0.490 19354 2173 1 4 . 1 1 23 23 ARG CB C 23 34.757 34.757 33.822 0.935 19354 2174 1 4 . 1 1 23 23 ARG H H 23 8.430 8.430 7.842 0.588 19354 2175 1 4 . 1 1 24 24 ARG N N 24 124.928 124.928 123.255 1.673 19354 2176 1 4 . 1 1 24 24 ARG HA H 24 4.619 4.619 4.531 0.088 19354 2177 1 4 . 1 1 24 24 ARG C C 24 176.265 176.265 175.335 0.930 19354 2178 1 4 . 1 1 24 24 ARG CA C 24 57.824 57.824 56.293 1.531 19354 2179 1 4 . 1 1 24 24 ARG CB C 24 29.913 29.913 28.031 1.882 19354 2180 1 4 . 1 1 24 24 ARG H H 24 8.569 8.569 8.694 -0.126 19354 2181 1 4 . 1 1 25 25 ALA N N 25 127.390 127.390 125.257 2.133 19354 2182 1 4 . 1 1 25 25 ALA HA H 25 4.379 4.379 4.561 -0.182 19354 2183 1 4 . 1 1 25 25 ALA C C 25 174.173 174.173 176.996 -2.823 19354 2184 1 4 . 1 1 25 25 ALA CA C 25 51.382 51.382 50.821 0.561 19354 2185 1 4 . 1 1 25 25 ALA CB C 25 23.050 23.050 21.037 2.013 19354 2186 1 4 . 1 1 25 25 ALA H H 25 8.082 8.082 8.081 0.001 19354 2187 1 4 . 1 1 26 26 ARG N N 26 116.820 116.820 119.115 -2.295 19354 2188 1 4 . 1 1 26 26 ARG HA H 26 4.692 4.692 4.230 0.462 19354 2189 1 4 . 1 1 26 26 ARG C C 26 177.847 177.847 175.219 2.628 19354 2190 1 4 . 1 1 26 26 ARG CA C 26 55.271 55.271 57.304 -2.033 19354 2191 1 4 . 1 1 26 26 ARG CB C 26 31.215 31.215 31.141 0.074 19354 2192 1 4 . 1 1 26 26 ARG H H 26 8.133 8.133 8.538 -0.405 19354 2193 1 4 . 1 1 27 27 CYS N N 27 126.567 126.567 118.900 7.667 19354 2194 1 4 . 1 1 27 27 CYS HA H 27 5.732 5.732 4.871 0.861 19354 2195 1 4 . 1 1 27 27 CYS C C 27 175.288 175.288 173.339 1.949 19354 2196 1 4 . 1 1 27 27 CYS CA C 27 51.785 51.785 57.921 -6.136 19354 2197 1 4 . 1 1 27 27 CYS CB C 27 38.246 38.246 29.324 8.922 19354 2198 1 4 . 1 1 27 27 CYS H H 27 9.709 9.709 8.271 1.438 19354 2199 1 4 . 1 1 28 28 TYR N N 28 120.309 120.309 124.098 -3.789 19354 2200 1 4 . 1 1 28 28 TYR HA H 28 5.079 5.079 5.182 -0.103 19354 2201 1 4 . 1 1 28 28 TYR CA C 28 54.951 54.951 54.139 0.812 19354 2202 1 4 . 1 1 28 28 TYR CB C 28 39.807 39.807 38.821 0.987 19354 2203 1 4 . 1 1 28 28 TYR H H 28 8.870 8.870 8.946 -0.076 19354 2204 1 4 . 1 1 29 29 PRO HA H 29 4.836 4.836 4.848 -0.012 19354 2205 1 4 . 1 1 29 29 PRO CA C 29 61.773 61.773 62.703 -0.930 19354 2206 1 4 . 1 1 29 29 PRO CB C 29 31.173 31.173 32.259 -1.086 19354 2207 1 4 . 1 1 30 30 THR N N 30 115.177 115.177 121.210 -6.033 19354 2208 1 4 . 1 1 30 30 THR HA H 30 4.253 4.253 4.304 -0.051 19354 2209 1 4 . 1 1 30 30 THR C C 30 173.688 173.688 175.050 -1.362 19354 2210 1 4 . 1 1 30 30 THR CA C 30 61.324 61.324 64.828 -3.504 19354 2211 1 4 . 1 1 30 30 THR CB C 30 70.191 70.191 69.273 0.918 19354 2212 1 4 . 1 1 30 30 THR H H 30 7.978 7.978 8.841 -0.863 19354 2213 1 4 . 1 1 31 31 SER N N 31 116.822 116.822 115.040 1.782 19354 2214 1 4 . 1 1 31 31 SER HA H 31 4.702 4.702 4.641 0.061 19354 2215 1 4 . 1 1 31 31 SER C C 31 175.079 175.079 175.245 -0.166 19354 2216 1 4 . 1 1 31 31 SER CA C 31 57.057 57.057 57.042 0.015 19354 2217 1 4 . 1 1 31 31 SER CB C 31 66.020 66.020 65.364 0.656 19354 2218 1 4 . 1 1 31 31 SER H H 31 8.451 8.451 8.151 0.300 19354 2219 1 4 . 1 1 32 32 ASN N N 32 118.803 118.803 120.617 -1.814 19354 2220 1 4 . 1 1 32 32 ASN HA H 32 4.385 4.385 4.605 -0.220 19354 2221 1 4 . 1 1 32 32 ASN C C 32 175.705 175.705 175.800 -0.095 19354 2222 1 4 . 1 1 32 32 ASN CA C 32 55.564 55.564 56.075 -0.511 19354 2223 1 4 . 1 1 32 32 ASN CB C 32 37.637 37.637 38.208 -0.571 19354 2224 1 4 . 1 1 32 32 ASN H H 32 8.802 8.802 8.690 0.112 19354 2225 1 4 . 1 1 33 33 ALA N N 33 118.571 118.571 122.384 -3.813 19354 2226 1 4 . 1 1 33 33 ALA HA H 33 4.262 4.262 4.419 -0.157 19354 2227 1 4 . 1 1 33 33 ALA C C 33 179.229 179.229 177.096 2.133 19354 2228 1 4 . 1 1 33 33 ALA CA C 33 53.087 53.087 53.142 -0.055 19354 2229 1 4 . 1 1 33 33 ALA CB C 33 19.563 19.563 19.556 0.007 19354 2230 1 4 . 1 1 33 33 ALA H H 33 8.004 8.004 8.103 -0.099 19354 2231 1 4 . 1 1 34 34 THR N N 34 106.312 106.312 111.431 -5.119 19354 2232 1 4 . 1 1 34 34 THR HA H 34 4.581 4.581 4.291 0.290 19354 2233 1 4 . 1 1 34 34 THR C C 34 175.334 175.334 172.896 2.438 19354 2234 1 4 . 1 1 34 34 THR CA C 34 60.586 60.586 61.829 -1.243 19354 2235 1 4 . 1 1 34 34 THR CB C 34 70.195 70.195 69.600 0.595 19354 2236 1 4 . 1 1 34 34 THR H H 34 7.551 7.551 7.502 0.049 19354 2237 1 4 . 1 1 35 35 ASN N N 35 122.599 122.599 125.298 -2.699 19354 2238 1 4 . 1 1 35 35 ASN HA H 35 4.528 4.528 4.544 -0.016 19354 2239 1 4 . 1 1 35 35 ASN C C 35 174.221 174.221 174.419 -0.198 19354 2240 1 4 . 1 1 35 35 ASN CA C 35 52.790 52.790 54.100 -1.310 19354 2241 1 4 . 1 1 35 35 ASN CB C 35 36.768 36.768 39.518 -2.750 19354 2242 1 4 . 1 1 35 35 ASN H H 35 7.897 7.897 8.606 -0.709 19354 2243 1 4 . 1 1 36 36 THR N N 36 107.151 107.151 116.904 -9.753 19354 2244 1 4 . 1 1 36 36 THR HA H 36 4.979 4.979 4.525 0.454 19354 2245 1 4 . 1 1 36 36 THR C C 36 173.651 173.651 172.490 1.161 19354 2246 1 4 . 1 1 36 36 THR CA C 36 59.011 59.011 61.171 -2.160 19354 2247 1 4 . 1 1 36 36 THR CB C 36 72.745 72.745 70.936 1.809 19354 2248 1 4 . 1 1 36 36 THR H H 36 7.490 7.490 8.474 -0.984 19354 2249 1 4 . 1 1 37 37 CYS N N 37 118.809 118.809 123.826 -5.017 19354 2250 1 4 . 1 1 37 37 CYS HA H 37 4.095 4.095 4.629 -0.534 19354 2251 1 4 . 1 1 37 37 CYS C C 37 173.688 173.688 173.580 0.108 19354 2252 1 4 . 1 1 37 37 CYS CA C 37 55.634 55.634 58.462 -2.828 19354 2253 1 4 . 1 1 37 37 CYS CB C 37 45.854 45.854 27.470 18.384 19354 2254 1 4 . 1 1 37 37 CYS H H 37 8.632 8.632 8.241 0.391 19354 2255 1 4 . 1 1 38 38 PHE N N 38 128.190 128.190 124.462 3.728 19354 2256 1 4 . 1 1 38 38 PHE HA H 38 4.275 4.275 4.228 0.047 19354 2257 1 4 . 1 1 38 38 PHE C C 38 176.261 176.261 176.724 -0.463 19354 2258 1 4 . 1 1 38 38 PHE CA C 38 59.067 59.067 57.776 1.291 19354 2259 1 4 . 1 1 38 38 PHE CB C 38 36.576 36.576 37.212 -0.636 19354 2260 1 4 . 1 1 38 38 PHE H H 38 9.018 9.018 8.998 0.020 19354 2261 1 4 . 1 1 39 39 GLY N N 39 104.504 104.504 106.723 -2.219 19354 2262 1 4 . 1 1 39 39 GLY C C 39 174.173 174.173 174.485 -0.312 19354 2263 1 4 . 1 1 39 39 GLY CA C 39 45.112 45.112 45.348 -0.236 19354 2264 1 4 . 1 1 39 39 GLY H H 39 8.566 8.566 8.535 0.031 19354 2265 1 4 . 1 1 40 40 SER N N 40 116.201 116.201 120.927 -4.726 19354 2266 1 4 . 1 1 40 40 SER HA H 40 4.529 4.529 4.361 0.168 19354 2267 1 4 . 1 1 40 40 SER C C 40 173.873 173.873 174.164 -0.291 19354 2268 1 4 . 1 1 40 40 SER CA C 40 57.436 57.436 58.162 -0.726 19354 2269 1 4 . 1 1 40 40 SER CB C 40 63.718 63.718 63.422 0.296 19354 2270 1 4 . 1 1 40 40 SER H H 40 7.533 7.533 7.959 -0.426 19354 2271 1 4 . 1 1 41 41 LYS N N 41 127.456 127.456 127.219 0.237 19354 2272 1 4 . 1 1 41 41 LYS HA H 41 4.056 4.056 4.163 -0.107 19354 2273 1 4 . 1 1 41 41 LYS C C 41 176.632 176.632 176.218 0.414 19354 2274 1 4 . 1 1 41 41 LYS CA C 41 56.409 56.409 56.317 0.092 19354 2275 1 4 . 1 1 41 41 LYS CB C 41 32.169 32.169 32.797 -0.628 19354 2276 1 4 . 1 1 41 41 LYS H H 41 8.768 8.768 8.374 0.394 19354 2277 1 4 . 1 1 42 42 LEU N N 42 128.016 128.016 124.990 3.026 19354 2278 1 4 . 1 1 42 42 LEU HA H 42 4.120 4.120 4.310 -0.190 19354 2279 1 4 . 1 1 42 42 LEU CA C 42 52.010 52.010 51.345 0.665 19354 2280 1 4 . 1 1 42 42 LEU CB C 42 40.680 40.680 40.023 0.657 19354 2281 1 4 . 1 1 42 42 LEU H H 42 8.304 8.304 8.328 -0.024 19354 2282 1 4 . 1 1 43 43 PRO HA H 43 4.453 4.453 4.193 0.260 19354 2283 1 4 . 1 1 43 43 PRO CA C 43 62.807 62.807 63.765 -0.958 19354 2284 1 4 . 1 1 43 43 PRO CB C 43 29.625 29.625 31.627 -2.002 19354 2285 1 4 . 1 1 44 44 TYR N N 44 116.871 116.871 113.043 3.828 19354 2286 1 4 . 1 1 44 44 TYR HA H 44 4.689 4.689 4.804 -0.115 19354 2287 1 4 . 1 1 44 44 TYR C C 44 175.239 175.239 175.146 0.093 19354 2288 1 4 . 1 1 44 44 TYR CA C 44 53.718 53.718 55.005 -1.287 19354 2289 1 4 . 1 1 44 44 TYR CB C 44 38.637 38.637 40.455 -1.818 19354 2290 1 4 . 1 1 44 44 TYR H H 44 6.311 6.311 6.487 -0.176 19354 2291 1 4 . 1 1 45 45 GLU N N 45 118.221 118.221 118.442 -0.221 19354 2292 1 4 . 1 1 45 45 GLU HA H 45 4.138 4.138 4.626 -0.488 19354 2293 1 4 . 1 1 45 45 GLU C C 45 176.282 176.282 175.032 1.250 19354 2294 1 4 . 1 1 45 45 GLU CA C 45 57.502 57.502 55.803 1.699 19354 2295 1 4 . 1 1 45 45 GLU CB C 45 31.105 31.105 31.026 0.080 19354 2296 1 4 . 1 1 45 45 GLU H H 45 8.591 8.591 8.981 -0.390 19354 2297 1 4 . 1 1 46 46 LEU N N 46 119.826 119.826 119.645 0.181 19354 2298 1 4 . 1 1 46 46 LEU HA H 46 4.974 4.974 5.346 -0.372 19354 2299 1 4 . 1 1 46 46 LEU C C 46 175.420 175.420 175.811 -0.391 19354 2300 1 4 . 1 1 46 46 LEU CA C 46 53.202 53.202 53.453 -0.251 19354 2301 1 4 . 1 1 46 46 LEU CB C 46 43.587 43.587 45.497 -1.910 19354 2302 1 4 . 1 1 46 46 LEU H H 46 8.176 8.176 7.800 0.376 19354 2303 1 4 . 1 1 47 47 SER N N 47 111.561 111.561 112.684 -1.123 19354 2304 1 4 . 1 1 47 47 SER HA H 47 5.020 5.020 4.557 0.463 19354 2305 1 4 . 1 1 47 47 SER C C 47 173.833 173.833 171.987 1.846 19354 2306 1 4 . 1 1 47 47 SER CA C 47 53.006 53.006 56.710 -3.704 19354 2307 1 4 . 1 1 47 47 SER CB C 47 64.691 64.691 64.973 -0.282 19354 2308 1 4 . 1 1 47 47 SER H H 47 7.924 7.924 8.444 -0.520 19354 2309 1 4 . 1 1 48 48 SER N N 48 111.459 111.459 119.272 -7.813 19354 2310 1 4 . 1 1 48 48 SER HA H 48 4.841 4.841 4.762 0.079 19354 2311 1 4 . 1 1 48 48 SER C C 48 175.602 175.602 174.399 1.203 19354 2312 1 4 . 1 1 48 48 SER CA C 48 57.388 57.388 56.971 0.417 19354 2313 1 4 . 1 1 48 48 SER CB C 48 66.333 66.333 63.956 2.377 19354 2314 1 4 . 1 1 48 48 SER H H 48 8.628 8.628 8.665 -0.037 19354 2315 1 4 . 1 1 49 49 LEU N N 49 128.995 128.995 130.594 -1.599 19354 2316 1 4 . 1 1 49 49 LEU HA H 49 4.383 4.383 4.425 -0.042 19354 2317 1 4 . 1 1 49 49 LEU C C 49 179.571 179.571 178.385 1.186 19354 2318 1 4 . 1 1 49 49 LEU CA C 49 56.032 56.032 56.955 -0.922 19354 2319 1 4 . 1 1 49 49 LEU CB C 49 41.904 41.904 41.541 0.363 19354 2320 1 4 . 1 1 49 49 LEU H H 49 9.519 9.519 9.355 0.164 19354 2321 1 4 . 1 1 50 50 ASP N N 50 115.013 115.013 119.805 -4.792 19354 2322 1 4 . 1 1 50 50 ASP HA H 50 4.168 4.168 4.371 -0.203 19354 2323 1 4 . 1 1 50 50 ASP C C 50 176.486 176.486 177.567 -1.081 19354 2324 1 4 . 1 1 50 50 ASP CA C 50 58.352 58.352 56.548 1.804 19354 2325 1 4 . 1 1 50 50 ASP CB C 50 41.259 41.259 40.943 0.316 19354 2326 1 4 . 1 1 50 50 ASP H H 50 8.191 8.191 7.780 0.411 19354 2327 1 4 . 1 1 51 51 LEU N N 51 118.298 118.298 119.041 -0.743 19354 2328 1 4 . 1 1 51 51 LEU HA H 51 4.329 4.329 4.134 0.195 19354 2329 1 4 . 1 1 51 51 LEU C C 51 175.556 175.556 176.974 -1.418 19354 2330 1 4 . 1 1 51 51 LEU CA C 51 54.483 54.483 56.578 -2.095 19354 2331 1 4 . 1 1 51 51 LEU CB C 51 39.219 39.219 42.643 -3.424 19354 2332 1 4 . 1 1 51 51 LEU H H 51 8.732 8.732 7.668 1.064 19354 2333 1 4 . 1 1 52 52 THR N N 52 106.427 106.427 108.789 -2.362 19354 2334 1 4 . 1 1 52 52 THR HA H 52 2.784 2.784 4.401 -1.617 19354 2335 1 4 . 1 1 52 52 THR C C 52 172.812 172.812 172.937 -0.125 19354 2336 1 4 . 1 1 52 52 THR CA C 52 58.759 58.759 60.239 -1.480 19354 2337 1 4 . 1 1 52 52 THR CB C 52 71.985 71.985 71.209 0.776 19354 2338 1 4 . 1 1 52 52 THR H H 52 7.574 7.574 7.549 0.025 19354 2339 1 4 . 1 1 53 53 ASP HA H 53 4.398 4.398 4.680 -0.282 19354 2340 1 4 . 1 1 53 53 ASP CA C 53 52.757 52.757 52.969 -0.212 19354 2341 1 4 . 1 1 53 53 ASP CB C 53 40.737 40.737 40.469 0.268 19354 2342 1 4 . 1 1 54 54 PHE N N 54 117.929 117.929 118.162 -0.233 19354 2343 1 4 . 1 1 54 54 PHE HA H 54 4.498 4.498 4.501 -0.003 19354 2344 1 4 . 1 1 54 54 PHE C C 54 176.169 176.169 175.575 0.594 19354 2345 1 4 . 1 1 54 54 PHE CA C 54 57.477 57.477 57.315 0.162 19354 2346 1 4 . 1 1 54 54 PHE CB C 54 39.270 39.270 39.926 -0.656 19354 2347 1 4 . 1 1 54 54 PHE H H 54 7.575 7.575 7.558 0.017 19354 2348 1 4 . 1 1 55 55 HIS N N 55 115.333 115.333 116.001 -0.668 19354 2349 1 4 . 1 1 55 55 HIS HA H 55 4.585 4.585 4.862 -0.277 19354 2350 1 4 . 1 1 55 55 HIS C C 55 175.080 175.080 174.288 0.792 19354 2351 1 4 . 1 1 55 55 HIS CA C 55 56.439 56.439 55.797 0.642 19354 2352 1 4 . 1 1 55 55 HIS CB C 55 31.104 31.104 32.440 -1.336 19354 2353 1 4 . 1 1 55 55 HIS H H 55 9.230 9.230 8.607 0.623 19354 2354 1 4 . 1 1 56 56 THR N N 56 106.891 106.891 111.971 -5.080 19354 2355 1 4 . 1 1 56 56 THR HA H 56 4.528 4.528 4.454 0.074 19354 2356 1 4 . 1 1 56 56 THR C C 56 173.696 173.696 174.094 -0.398 19354 2357 1 4 . 1 1 56 56 THR CA C 56 58.725 58.725 60.745 -2.021 19354 2358 1 4 . 1 1 56 56 THR CB C 56 72.851 72.851 70.730 2.121 19354 2359 1 4 . 1 1 56 56 THR H H 56 7.343 7.343 7.419 -0.076 19354 2360 1 4 . 1 1 57 57 GLU N N 57 121.798 121.798 123.708 -1.910 19354 2361 1 4 . 1 1 57 57 GLU HA H 57 3.611 3.611 3.899 -0.288 19354 2362 1 4 . 1 1 57 57 GLU C C 57 178.417 178.417 178.128 0.289 19354 2363 1 4 . 1 1 57 57 GLU CA C 57 59.380 59.380 60.119 -0.739 19354 2364 1 4 . 1 1 57 57 GLU CB C 57 29.873 29.873 29.585 0.288 19354 2365 1 4 . 1 1 57 57 GLU H H 57 8.841 8.841 8.753 0.088 19354 2366 1 4 . 1 1 58 58 LYS N N 58 121.091 121.091 118.517 2.574 19354 2367 1 4 . 1 1 58 58 LYS HA H 58 3.903 3.903 3.899 0.004 19354 2368 1 4 . 1 1 58 58 LYS C C 58 177.745 177.745 178.700 -0.955 19354 2369 1 4 . 1 1 58 58 LYS CA C 58 59.470 59.470 59.254 0.216 19354 2370 1 4 . 1 1 58 58 LYS CB C 58 32.130 32.130 31.846 0.284 19354 2371 1 4 . 1 1 58 58 LYS H H 58 8.307 8.307 7.748 0.559 19354 2372 1 4 . 1 1 59 59 GLU N N 59 117.790 117.790 119.597 -1.807 19354 2373 1 4 . 1 1 59 59 GLU HA H 59 3.852 3.852 3.948 -0.096 19354 2374 1 4 . 1 1 59 59 GLU C C 59 178.051 178.051 178.306 -0.255 19354 2375 1 4 . 1 1 59 59 GLU CA C 59 59.094 59.094 59.013 0.081 19354 2376 1 4 . 1 1 59 59 GLU CB C 59 30.468 30.468 29.366 1.102 19354 2377 1 4 . 1 1 59 59 GLU H H 59 7.537 7.537 7.614 -0.077 19354 2378 1 4 . 1 1 60 60 LEU N N 60 118.763 118.763 120.860 -2.097 19354 2379 1 4 . 1 1 60 60 LEU HA H 60 3.211 3.211 3.077 0.134 19354 2380 1 4 . 1 1 60 60 LEU C C 60 178.070 178.070 178.315 -0.245 19354 2381 1 4 . 1 1 60 60 LEU CA C 60 59.007 59.007 57.072 1.935 19354 2382 1 4 . 1 1 60 60 LEU CB C 60 42.750 42.750 41.822 0.928 19354 2383 1 4 . 1 1 60 60 LEU H H 60 7.321 7.321 7.141 0.180 19354 2384 1 4 . 1 1 61 61 ASN N N 61 116.987 116.987 117.137 -0.150 19354 2385 1 4 . 1 1 61 61 ASN HA H 61 4.127 4.127 4.330 -0.203 19354 2386 1 4 . 1 1 61 61 ASN C C 61 177.689 177.689 177.979 -0.290 19354 2387 1 4 . 1 1 61 61 ASN CA C 61 57.310 57.310 56.436 0.874 19354 2388 1 4 . 1 1 61 61 ASN CB C 61 39.288 39.288 38.608 0.680 19354 2389 1 4 . 1 1 61 61 ASN H H 61 8.335 8.335 8.110 0.225 19354 2390 1 4 . 1 1 62 62 ASP N N 62 120.935 120.935 120.500 0.435 19354 2391 1 4 . 1 1 62 62 ASP HA H 62 4.306 4.306 4.369 -0.063 19354 2392 1 4 . 1 1 62 62 ASP C C 62 178.868 178.868 178.260 0.608 19354 2393 1 4 . 1 1 62 62 ASP CA C 62 57.510 57.510 57.010 0.500 19354 2394 1 4 . 1 1 62 62 ASP CB C 62 39.596 39.596 40.279 -0.683 19354 2395 1 4 . 1 1 62 62 ASP H H 62 8.376 8.376 8.202 0.174 19354 2396 1 4 . 1 1 63 63 LYS N N 63 119.626 119.626 120.338 -0.712 19354 2397 1 4 . 1 1 63 63 LYS HA H 63 4.168 4.168 4.084 0.084 19354 2398 1 4 . 1 1 63 63 LYS C C 63 179.458 179.458 178.884 0.574 19354 2399 1 4 . 1 1 63 63 LYS CA C 63 55.698 55.698 58.930 -3.232 19354 2400 1 4 . 1 1 63 63 LYS CB C 63 31.082 31.082 32.124 -1.042 19354 2401 1 4 . 1 1 63 63 LYS H H 63 7.748 7.748 7.671 0.077 19354 2402 1 4 . 1 1 64 64 LEU N N 64 120.255 120.255 119.653 0.602 19354 2403 1 4 . 1 1 64 64 LEU HA H 64 3.688 3.688 4.043 -0.355 19354 2404 1 4 . 1 1 64 64 LEU C C 64 178.732 178.732 178.880 -0.148 19354 2405 1 4 . 1 1 64 64 LEU CA C 64 57.722 57.722 57.647 0.075 19354 2406 1 4 . 1 1 64 64 LEU CB C 64 41.236 41.236 41.053 0.183 19354 2407 1 4 . 1 1 64 64 LEU H H 64 8.221 8.221 7.553 0.668 19354 2408 1 4 . 1 1 65 65 ASN N N 65 113.630 113.630 118.020 -4.390 19354 2409 1 4 . 1 1 65 65 ASN HA H 65 4.580 4.580 4.513 0.067 19354 2410 1 4 . 1 1 65 65 ASN C C 65 178.394 178.394 177.904 0.490 19354 2411 1 4 . 1 1 65 65 ASN CA C 65 55.628 55.628 56.505 -0.877 19354 2412 1 4 . 1 1 65 65 ASN CB C 65 38.269 38.269 37.717 0.552 19354 2413 1 4 . 1 1 65 65 ASN H H 65 7.482 7.482 8.100 -0.618 19354 2414 1 4 . 1 1 66 66 ASP N N 66 120.683 120.683 119.386 1.297 19354 2415 1 4 . 1 1 66 66 ASP HA H 66 4.482 4.482 4.493 -0.011 19354 2416 1 4 . 1 1 66 66 ASP C C 66 179.095 179.095 178.848 0.247 19354 2417 1 4 . 1 1 66 66 ASP CA C 66 56.623 56.623 57.297 -0.674 19354 2418 1 4 . 1 1 66 66 ASP CB C 66 39.883 39.883 40.925 -1.042 19354 2419 1 4 . 1 1 66 66 ASP H H 66 7.834 7.834 8.283 -0.449 19354 2420 1 4 . 1 1 67 67 TYR N N 67 116.512 116.512 119.335 -2.823 19354 2421 1 4 . 1 1 67 67 TYR HA H 67 3.984 3.984 4.547 -0.563 19354 2422 1 4 . 1 1 67 67 TYR C C 67 176.554 176.554 177.484 -0.930 19354 2423 1 4 . 1 1 67 67 TYR CA C 67 62.142 62.142 60.306 1.836 19354 2424 1 4 . 1 1 67 67 TYR CB C 67 37.436 37.436 38.374 -0.938 19354 2425 1 4 . 1 1 67 67 TYR H H 67 8.132 8.132 7.485 0.647 19354 2426 1 4 . 1 1 68 68 TYR N N 68 118.786 118.786 120.304 -1.518 19354 2427 1 4 . 1 1 68 68 TYR HA H 68 3.632 3.632 3.148 0.484 19354 2428 1 4 . 1 1 68 68 TYR C C 68 177.915 177.915 177.765 0.150 19354 2429 1 4 . 1 1 68 68 TYR CA C 68 61.395 61.395 61.787 -0.392 19354 2430 1 4 . 1 1 68 68 TYR CB C 68 37.345 37.345 37.127 0.218 19354 2431 1 4 . 1 1 68 68 TYR H H 68 7.558 7.558 8.394 -0.836 19354 2432 1 4 . 1 1 69 69 ALA N N 69 120.715 120.715 122.112 -1.397 19354 2433 1 4 . 1 1 69 69 ALA HA H 69 3.935 3.935 3.934 0.001 19354 2434 1 4 . 1 1 69 69 ALA C C 69 179.390 179.390 179.359 0.031 19354 2435 1 4 . 1 1 69 69 ALA CA C 69 54.015 54.015 54.644 -0.629 19354 2436 1 4 . 1 1 69 69 ALA CB C 69 18.529 18.529 17.792 0.737 19354 2437 1 4 . 1 1 69 69 ALA H H 69 7.453 7.453 7.694 -0.241 19354 2438 1 4 . 1 1 70 70 LEU N N 70 117.212 117.212 119.072 -1.860 19354 2439 1 4 . 1 1 70 70 LEU HA H 70 3.765 3.765 3.990 -0.225 19354 2440 1 4 . 1 1 70 70 LEU C C 70 177.280 177.280 178.121 -0.841 19354 2441 1 4 . 1 1 70 70 LEU CA C 70 56.634 56.634 56.996 -0.362 19354 2442 1 4 . 1 1 70 70 LEU CB C 70 41.045 41.045 41.892 -0.847 19354 2443 1 4 . 1 1 70 70 LEU H H 70 7.764 7.764 8.136 -0.372 19354 2444 1 4 . 1 1 71 71 LYS N N 71 118.756 118.756 118.762 -0.006 19354 2445 1 4 . 1 1 71 71 LYS HA H 71 3.039 3.039 3.372 -0.333 19354 2446 1 4 . 1 1 71 71 LYS C C 71 177.121 177.121 177.865 -0.744 19354 2447 1 4 . 1 1 71 71 LYS CA C 71 58.865 58.865 58.712 0.153 19354 2448 1 4 . 1 1 71 71 LYS CB C 71 31.247 31.247 31.055 0.192 19354 2449 1 4 . 1 1 71 71 LYS H H 71 7.001 7.001 7.916 -0.915 19354 2450 1 4 . 1 1 72 72 HIS N N 72 113.331 113.331 118.269 -4.938 19354 2451 1 4 . 1 1 72 72 HIS HA H 72 4.304 4.304 4.316 -0.012 19354 2452 1 4 . 1 1 72 72 HIS C C 72 174.232 174.232 176.250 -2.018 19354 2453 1 4 . 1 1 72 72 HIS CA C 72 57.245 57.245 58.627 -1.383 19354 2454 1 4 . 1 1 72 72 HIS CB C 72 30.221 30.221 30.104 0.117 19354 2455 1 4 . 1 1 72 72 HIS H H 72 6.973 6.973 7.606 -0.633 19354 2456 1 4 . 1 1 73 73 VAL N N 73 121.486 121.486 120.660 0.826 19354 2457 1 4 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.487 0.044 19354 2458 1 4 . 1 1 73 73 VAL CA C 73 59.159 59.159 59.784 -0.625 19354 2459 1 4 . 1 1 73 73 VAL CB C 73 30.604 30.604 33.112 -2.508 19354 2460 1 4 . 1 1 73 73 VAL H H 73 7.821 7.821 7.887 -0.066 19354 2461 1 4 . 1 1 74 74 PRO HA H 74 4.070 4.070 4.642 -0.572 19354 2462 1 4 . 1 1 74 74 PRO CA C 74 66.637 66.637 65.341 1.296 19354 2463 1 4 . 1 1 74 74 PRO CB C 74 32.212 32.212 32.190 0.022 19354 2464 1 4 . 1 1 75 75 LYS N N 75 116.832 116.832 117.964 -1.132 19354 2465 1 4 . 1 1 75 75 LYS HA H 75 4.099 4.099 4.137 -0.038 19354 2466 1 4 . 1 1 75 75 LYS C C 75 180.048 180.048 177.133 2.915 19354 2467 1 4 . 1 1 75 75 LYS CA C 75 59.398 59.398 59.222 0.176 19354 2468 1 4 . 1 1 75 75 LYS CB C 75 31.296 31.296 31.848 -0.552 19354 2469 1 4 . 1 1 75 75 LYS H H 75 9.234 9.234 8.650 0.584 19354 2470 1 4 . 1 1 76 76 CYS N N 76 116.333 116.333 117.534 -1.201 19354 2471 1 4 . 1 1 76 76 CYS HA H 76 4.320 4.320 4.664 -0.344 19354 2472 1 4 . 1 1 76 76 CYS C C 76 175.012 175.012 175.831 -0.819 19354 2473 1 4 . 1 1 76 76 CYS CA C 76 58.297 58.297 59.717 -1.420 19354 2474 1 4 . 1 1 76 76 CYS CB C 76 38.803 38.803 28.473 10.330 19354 2475 1 4 . 1 1 76 76 CYS H H 76 7.496 7.496 7.692 -0.196 19354 2476 1 4 . 1 1 77 77 TRP N N 77 119.987 119.987 123.296 -3.309 19354 2477 1 4 . 1 1 77 77 TRP HA H 77 4.452 4.452 4.333 0.119 19354 2478 1 4 . 1 1 77 77 TRP C C 77 177.462 177.462 177.719 -0.257 19354 2479 1 4 . 1 1 77 77 TRP CA C 77 58.821 58.821 60.012 -1.191 19354 2480 1 4 . 1 1 77 77 TRP CB C 77 30.425 30.425 29.391 1.034 19354 2481 1 4 . 1 1 77 77 TRP H H 77 8.254 8.254 8.814 -0.560 19354 2482 1 4 . 1 1 78 78 ALA N N 78 116.093 116.093 119.457 -3.364 19354 2483 1 4 . 1 1 78 78 ALA HA H 78 3.736 3.736 3.508 0.228 19354 2484 1 4 . 1 1 78 78 ALA C C 78 178.845 178.845 178.496 0.349 19354 2485 1 4 . 1 1 78 78 ALA CA C 78 54.188 54.188 53.717 0.471 19354 2486 1 4 . 1 1 78 78 ALA CB C 78 18.323 18.323 17.779 0.544 19354 2487 1 4 . 1 1 78 78 ALA H H 78 7.968 7.968 7.768 0.200 19354 2488 1 4 . 1 1 79 79 ALA N N 79 116.351 116.351 120.610 -4.259 19354 2489 1 4 . 1 1 79 79 ALA HA H 79 4.147 4.147 4.195 -0.048 19354 2490 1 4 . 1 1 79 79 ALA C C 79 178.414 178.414 177.958 0.456 19354 2491 1 4 . 1 1 79 79 ALA CA C 79 53.243 53.243 54.019 -0.776 19354 2492 1 4 . 1 1 79 79 ALA CB C 79 19.832 19.832 19.350 0.482 19354 2493 1 4 . 1 1 79 79 ALA H H 79 6.929 6.929 7.549 -0.620 19354 2494 1 4 . 1 1 80 80 ILE N N 80 115.150 115.150 117.599 -2.449 19354 2495 1 4 . 1 1 80 80 ILE HA H 80 4.218 4.218 4.163 0.055 19354 2496 1 4 . 1 1 80 80 ILE C C 80 176.350 176.350 176.401 -0.051 19354 2497 1 4 . 1 1 80 80 ILE CA C 80 62.069 62.069 60.226 1.843 19354 2498 1 4 . 1 1 80 80 ILE CB C 80 39.375 39.375 37.973 1.402 19354 2499 1 4 . 1 1 80 80 ILE H H 80 8.695 8.695 7.537 1.158 19354 2500 1 4 . 1 1 81 81 GLN N N 81 122.564 122.564 121.425 1.139 19354 2501 1 4 . 1 1 81 81 GLN HA H 81 3.332 3.332 4.016 -0.684 19354 2502 1 4 . 1 1 81 81 GLN C C 81 173.470 173.470 175.442 -1.972 19354 2503 1 4 . 1 1 81 81 GLN CA C 81 61.829 61.829 61.155 0.674 19354 2504 1 4 . 1 1 81 81 GLN CB C 81 25.973 25.973 26.934 -0.961 19354 2505 1 4 . 1 1 81 81 GLN H H 81 7.315 7.315 7.427 -0.112 19354 2506 1 4 . 1 1 82 82 PRO HA H 82 4.076 4.076 4.331 -0.255 19354 2507 1 4 . 1 1 82 82 PRO CA C 82 65.894 65.894 64.857 1.037 19354 2508 1 4 . 1 1 82 82 PRO CB C 82 30.481 30.481 31.638 -1.157 19354 2509 1 4 . 1 1 83 83 PHE N N 83 119.137 119.137 118.946 0.191 19354 2510 1 4 . 1 1 83 83 PHE HA H 83 4.289 4.289 4.396 -0.107 19354 2511 1 4 . 1 1 83 83 PHE C C 83 175.919 175.919 175.973 -0.054 19354 2512 1 4 . 1 1 83 83 PHE CA C 83 59.712 59.712 57.099 2.613 19354 2513 1 4 . 1 1 83 83 PHE CB C 83 39.329 39.329 38.969 0.360 19354 2514 1 4 . 1 1 83 83 PHE H H 83 6.892 6.892 7.917 -1.025 19354 2515 1 4 . 1 1 84 84 LEU N N 84 116.693 116.693 119.861 -3.168 19354 2516 1 4 . 1 1 84 84 LEU HA H 84 3.611 3.611 3.406 0.205 19354 2517 1 4 . 1 1 84 84 LEU C C 84 180.297 180.297 177.555 2.742 19354 2518 1 4 . 1 1 84 84 LEU CA C 84 57.952 57.952 57.520 0.432 19354 2519 1 4 . 1 1 84 84 LEU CB C 84 41.645 41.645 41.035 0.610 19354 2520 1 4 . 1 1 84 84 LEU H H 84 8.589 8.589 7.942 0.647 19354 2521 1 4 . 1 1 85 85 CYS N N 85 115.085 115.085 114.709 0.376 19354 2522 1 4 . 1 1 85 85 CYS HA H 85 4.127 4.127 4.300 -0.173 19354 2523 1 4 . 1 1 85 85 CYS C C 85 175.556 175.556 176.284 -0.728 19354 2524 1 4 . 1 1 85 85 CYS CA C 85 57.678 57.678 60.044 -2.366 19354 2525 1 4 . 1 1 85 85 CYS CB C 85 39.396 39.396 27.157 12.239 19354 2526 1 4 . 1 1 85 85 CYS H H 85 8.001 8.001 7.372 0.629 19354 2527 1 4 . 1 1 86 86 ALA N N 86 121.743 121.743 121.978 -0.235 19354 2528 1 4 . 1 1 86 86 ALA HA H 86 3.922 3.922 4.299 -0.377 19354 2529 1 4 . 1 1 86 86 ALA C C 86 177.745 177.745 177.096 0.649 19354 2530 1 4 . 1 1 86 86 ALA CA C 86 54.306 54.306 53.736 0.570 19354 2531 1 4 . 1 1 86 86 ALA CB C 86 18.778 18.778 18.449 0.329 19354 2532 1 4 . 1 1 86 86 ALA H H 86 7.671 7.671 7.574 0.097 19354 2533 1 4 . 1 1 87 87 VAL N N 87 115.667 115.667 115.582 0.085 19354 2534 1 4 . 1 1 87 87 VAL HA H 87 3.735 3.735 3.505 0.230 19354 2535 1 4 . 1 1 87 87 VAL C C 87 175.806 175.806 175.178 0.628 19354 2536 1 4 . 1 1 87 87 VAL CA C 87 64.622 64.622 62.845 1.777 19354 2537 1 4 . 1 1 87 87 VAL CB C 87 32.936 32.936 31.493 1.443 19354 2538 1 4 . 1 1 87 87 VAL H H 87 7.460 7.460 7.160 0.300 19354 2539 1 4 . 1 1 88 88 PHE N N 88 115.306 115.306 116.924 -1.618 19354 2540 1 4 . 1 1 88 88 PHE HA H 88 4.048 4.048 4.726 -0.678 19354 2541 1 4 . 1 1 88 88 PHE C C 88 176.192 176.192 175.355 0.837 19354 2542 1 4 . 1 1 88 88 PHE CA C 88 60.420 60.420 58.605 1.815 19354 2543 1 4 . 1 1 88 88 PHE CB C 88 40.182 40.182 40.166 0.016 19354 2544 1 4 . 1 1 88 88 PHE H H 88 8.930 8.930 7.019 1.911 19354 2545 1 4 . 1 1 89 89 LYS N N 89 115.470 115.470 119.326 -3.856 19354 2546 1 4 . 1 1 89 89 LYS HA H 89 4.816 4.816 4.771 0.045 19354 2547 1 4 . 1 1 89 89 LYS C C 89 184.176 184.176 173.944 10.232 19354 2548 1 4 . 1 1 89 89 LYS CA C 89 53.428 53.428 53.493 -0.065 19354 2549 1 4 . 1 1 89 89 LYS CB C 89 33.274 33.274 32.410 0.864 19354 2550 1 4 . 1 1 89 89 LYS H H 89 7.802 7.802 7.611 0.191 19354 2551 1 4 . 1 1 90 90 PRO HA H 90 4.250 4.250 4.231 0.019 19354 2552 1 4 . 1 1 90 90 PRO CA C 90 62.682 62.682 62.395 0.287 19354 2553 1 4 . 1 1 90 90 PRO CB C 90 32.358 32.358 32.456 -0.098 19354 2554 1 4 . 1 1 91 91 LYS N N 91 122.391 122.391 122.360 0.031 19354 2555 1 4 . 1 1 91 91 LYS HA H 91 3.039 3.039 2.898 0.141 19354 2556 1 4 . 1 1 91 91 LYS C C 91 173.356 173.356 175.456 -2.100 19354 2557 1 4 . 1 1 91 91 LYS CA C 91 58.027 58.027 56.064 1.963 19354 2558 1 4 . 1 1 91 91 LYS CB C 91 31.285 31.285 31.532 -0.247 19354 2559 1 4 . 1 1 91 91 LYS H H 91 8.537 8.537 8.205 0.332 19354 2560 1 4 . 1 1 92 92 CYS N N 92 127.562 127.562 127.948 -0.386 19354 2561 1 4 . 1 1 92 92 CYS HA H 92 5.391 5.391 4.678 0.713 19354 2562 1 4 . 1 1 92 92 CYS C C 92 171.655 171.655 173.686 -2.031 19354 2563 1 4 . 1 1 92 92 CYS CA C 92 53.804 53.804 58.484 -4.680 19354 2564 1 4 . 1 1 92 92 CYS CB C 92 41.219 41.219 26.595 14.624 19354 2565 1 4 . 1 1 92 92 CYS H H 92 7.037 7.037 8.136 -1.099 19354 2566 1 4 . 1 1 93 93 GLU N N 93 124.483 124.483 127.342 -2.859 19354 2567 1 4 . 1 1 93 93 GLU HA H 93 4.492 4.492 4.683 -0.191 19354 2568 1 4 . 1 1 93 93 GLU C C 93 173.371 173.371 175.309 -1.938 19354 2569 1 4 . 1 1 93 93 GLU CA C 93 54.874 54.874 53.903 0.971 19354 2570 1 4 . 1 1 93 93 GLU CB C 93 34.630 34.630 33.465 1.165 19354 2571 1 4 . 1 1 93 93 GLU H H 93 9.401 9.401 7.956 1.445 19354 2572 1 4 . 1 1 94 94 LYS N N 94 122.694 122.694 121.187 1.507 19354 2573 1 4 . 1 1 94 94 LYS HA H 94 4.581 4.581 4.859 -0.278 19354 2574 1 4 . 1 1 94 94 LYS C C 94 176.509 176.509 176.850 -0.341 19354 2575 1 4 . 1 1 94 94 LYS CA C 94 55.856 55.856 55.527 0.329 19354 2576 1 4 . 1 1 94 94 LYS CB C 94 31.809 31.809 32.839 -1.030 19354 2577 1 4 . 1 1 94 94 LYS H H 94 8.526 8.526 8.561 -0.035 19354 2578 1 4 . 1 1 95 95 ILE N N 95 128.382 128.382 127.282 1.100 19354 2579 1 4 . 1 1 95 95 ILE HA H 95 4.049 4.049 4.171 -0.122 19354 2580 1 4 . 1 1 95 95 ILE C C 95 176.337 176.337 175.853 0.484 19354 2581 1 4 . 1 1 95 95 ILE CA C 95 60.847 60.847 61.326 -0.479 19354 2582 1 4 . 1 1 95 95 ILE CB C 95 39.625 39.625 38.223 1.402 19354 2583 1 4 . 1 1 95 95 ILE H H 95 9.001 9.001 8.607 0.394 19354 2584 1 4 . 1 1 96 96 ASN N N 96 127.596 127.596 126.451 1.145 19354 2585 1 4 . 1 1 96 96 ASN HA H 96 4.212 4.212 4.358 -0.146 19354 2586 1 4 . 1 1 96 96 ASN C C 96 175.496 175.496 175.512 -0.016 19354 2587 1 4 . 1 1 96 96 ASN CA C 96 53.970 53.970 53.943 0.028 19354 2588 1 4 . 1 1 96 96 ASN CB C 96 37.238 37.238 36.237 1.001 19354 2589 1 4 . 1 1 96 96 ASN H H 96 9.474 9.474 9.449 0.025 19354 2590 1 4 . 1 1 97 97 GLY N N 97 101.656 101.656 104.815 -3.159 19354 2591 1 4 . 1 1 97 97 GLY C C 97 173.651 173.651 173.424 0.227 19354 2592 1 4 . 1 1 97 97 GLY CA C 97 45.167 45.167 44.982 0.185 19354 2593 1 4 . 1 1 97 97 GLY H H 97 8.476 8.476 8.139 0.337 19354 2594 1 4 . 1 1 98 98 GLU N N 98 120.042 120.042 121.064 -1.022 19354 2595 1 4 . 1 1 98 98 GLU HA H 98 4.587 4.587 4.515 0.072 19354 2596 1 4 . 1 1 98 98 GLU C C 98 174.422 174.422 175.289 -0.867 19354 2597 1 4 . 1 1 98 98 GLU CA C 98 54.294 54.294 54.263 0.031 19354 2598 1 4 . 1 1 98 98 GLU CB C 98 32.934 32.934 31.271 1.663 19354 2599 1 4 . 1 1 98 98 GLU H H 98 7.591 7.591 8.017 -0.426 19354 2600 1 4 . 1 1 99 99 ASP N N 99 126.603 126.603 126.892 -0.289 19354 2601 1 4 . 1 1 99 99 ASP HA H 99 4.340 4.340 4.420 -0.080 19354 2602 1 4 . 1 1 99 99 ASP C C 99 176.214 176.214 175.509 0.705 19354 2603 1 4 . 1 1 99 99 ASP CA C 99 55.408 55.408 55.694 -0.286 19354 2604 1 4 . 1 1 99 99 ASP CB C 99 41.629 41.629 40.687 0.943 19354 2605 1 4 . 1 1 99 99 ASP H H 99 8.489 8.489 8.745 -0.256 19354 2606 1 4 . 1 1 100 100 MET N N 100 121.977 121.977 120.821 1.156 19354 2607 1 4 . 1 1 100 100 MET HA H 100 4.911 4.911 5.511 -0.600 19354 2608 1 4 . 1 1 100 100 MET C C 100 172.900 172.900 174.660 -1.760 19354 2609 1 4 . 1 1 100 100 MET CA C 100 53.649 53.649 53.464 0.185 19354 2610 1 4 . 1 1 100 100 MET CB C 100 35.529 35.529 37.188 -1.659 19354 2611 1 4 . 1 1 100 100 MET H H 100 8.853 8.853 8.822 0.031 19354 2612 1 4 . 1 1 101 101 VAL N N 101 119.963 119.963 112.101 7.862 19354 2613 1 4 . 1 1 101 101 VAL HA H 101 4.814 4.814 4.393 0.421 19354 2614 1 4 . 1 1 101 101 VAL C C 101 172.991 172.991 173.321 -0.330 19354 2615 1 4 . 1 1 101 101 VAL CA C 101 58.203 58.203 59.392 -1.189 19354 2616 1 4 . 1 1 101 101 VAL CB C 101 34.629 34.629 35.215 -0.586 19354 2617 1 4 . 1 1 101 101 VAL H H 101 8.964 8.964 7.948 1.016 19354 2618 1 4 . 1 1 102 102 TYR N N 102 125.849 125.849 120.733 5.116 19354 2619 1 4 . 1 1 102 102 TYR HA H 102 4.444 4.444 4.986 -0.542 19354 2620 1 4 . 1 1 102 102 TYR C C 102 176.464 176.464 175.909 0.555 19354 2621 1 4 . 1 1 102 102 TYR CA C 102 57.549 57.549 56.964 0.585 19354 2622 1 4 . 1 1 102 102 TYR CB C 102 38.274 38.274 40.419 -2.145 19354 2623 1 4 . 1 1 102 102 TYR H H 102 8.137 8.137 7.643 0.494 19354 2624 1 4 . 1 1 103 103 LEU N N 103 123.151 123.151 122.303 0.848 19354 2625 1 4 . 1 1 103 103 LEU HA H 103 4.683 4.683 4.965 -0.282 19354 2626 1 4 . 1 1 103 103 LEU CA C 103 52.426 52.426 51.156 1.270 19354 2627 1 4 . 1 1 103 103 LEU CB C 103 42.038 42.038 41.547 0.491 19354 2628 1 4 . 1 1 103 103 LEU H H 103 8.308 8.308 8.021 0.287 19354 2629 1 4 . 1 1 104 104 PRO HA H 104 4.678 4.678 4.522 0.156 19354 2630 1 4 . 1 1 104 104 PRO CA C 104 61.704 61.704 62.598 -0.894 19354 2631 1 4 . 1 1 104 104 PRO CB C 104 32.020 32.020 32.359 -0.339 19354 2632 1 4 . 1 1 105 105 SER N N 105 113.955 113.955 115.520 -1.565 19354 2633 1 4 . 1 1 105 105 SER HA H 105 4.632 4.632 4.938 -0.306 19354 2634 1 4 . 1 1 105 105 SER C C 105 175.473 175.473 176.436 -0.963 19354 2635 1 4 . 1 1 105 105 SER CA C 105 56.324 56.324 56.779 -0.455 19354 2636 1 4 . 1 1 105 105 SER CB C 105 65.193 65.193 65.353 -0.160 19354 2637 1 4 . 1 1 105 105 SER H H 105 7.668 7.668 8.196 -0.528 19354 2638 1 4 . 1 1 106 106 TYR N N 106 122.582 122.582 121.473 1.109 19354 2639 1 4 . 1 1 106 106 TYR HA H 106 3.724 3.724 4.103 -0.379 19354 2640 1 4 . 1 1 106 106 TYR C C 106 178.116 178.116 177.235 0.881 19354 2641 1 4 . 1 1 106 106 TYR CA C 106 62.057 62.057 60.321 1.736 19354 2642 1 4 . 1 1 106 106 TYR CB C 106 37.925 37.925 37.852 0.073 19354 2643 1 4 . 1 1 106 106 TYR H H 106 8.492 8.492 8.530 -0.038 19354 2644 1 4 . 1 1 107 107 GLU N N 107 118.362 118.362 119.116 -0.754 19354 2645 1 4 . 1 1 107 107 GLU HA H 107 3.846 3.846 3.415 0.431 19354 2646 1 4 . 1 1 107 107 GLU C C 107 177.421 177.421 178.280 -0.859 19354 2647 1 4 . 1 1 107 107 GLU CA C 107 58.867 58.867 59.131 -0.264 19354 2648 1 4 . 1 1 107 107 GLU CB C 107 28.969 28.969 28.663 0.306 19354 2649 1 4 . 1 1 107 107 GLU H H 107 8.503 8.503 8.047 0.456 19354 2650 1 4 . 1 1 108 108 MET N N 108 116.221 116.221 117.131 -0.910 19354 2651 1 4 . 1 1 108 108 MET HA H 108 3.708 3.708 3.996 -0.288 19354 2652 1 4 . 1 1 108 108 MET C C 108 176.804 176.804 177.668 -0.864 19354 2653 1 4 . 1 1 108 108 MET CA C 108 58.648 58.648 57.915 0.733 19354 2654 1 4 . 1 1 108 108 MET CB C 108 33.058 33.058 31.053 2.005 19354 2655 1 4 . 1 1 108 108 MET H H 108 7.409 7.409 7.854 -0.445 19354 2656 1 4 . 1 1 109 109 CYS N N 109 114.131 114.131 116.220 -2.089 19354 2657 1 4 . 1 1 109 109 CYS HA H 109 3.857 3.857 3.906 -0.049 19354 2658 1 4 . 1 1 109 109 CYS C C 109 178.047 178.047 176.847 1.200 19354 2659 1 4 . 1 1 109 109 CYS CA C 109 58.737 58.737 60.146 -1.409 19354 2660 1 4 . 1 1 109 109 CYS CB C 109 35.006 35.006 26.281 8.725 19354 2661 1 4 . 1 1 109 109 CYS H H 109 6.817 6.817 7.812 -0.995 19354 2662 1 4 . 1 1 110 110 ARG N N 110 124.629 124.629 121.630 2.999 19354 2663 1 4 . 1 1 110 110 ARG HA H 110 3.376 3.376 4.023 -0.647 19354 2664 1 4 . 1 1 110 110 ARG C C 110 179.435 179.435 178.085 1.350 19354 2665 1 4 . 1 1 110 110 ARG CA C 110 59.641 59.641 58.136 1.505 19354 2666 1 4 . 1 1 110 110 ARG CB C 110 29.273 29.273 28.724 0.548 19354 2667 1 4 . 1 1 110 110 ARG H H 110 8.885 8.885 7.658 1.227 19354 2668 1 4 . 1 1 111 111 ILE N N 111 113.379 113.379 117.398 -4.019 19354 2669 1 4 . 1 1 111 111 ILE HA H 111 3.796 3.796 3.711 0.085 19354 2670 1 4 . 1 1 111 111 ILE C C 111 175.624 175.624 177.328 -1.704 19354 2671 1 4 . 1 1 111 111 ILE CA C 111 63.811 63.811 63.862 -0.051 19354 2672 1 4 . 1 1 111 111 ILE CB C 111 38.229 38.229 36.470 1.759 19354 2673 1 4 . 1 1 111 111 ILE H H 111 7.422 7.422 7.914 -0.492 19354 2674 1 4 . 1 1 112 112 THR N N 112 109.403 109.403 108.831 0.572 19354 2675 1 4 . 1 1 112 112 THR HA H 112 3.889 3.889 4.206 -0.317 19354 2676 1 4 . 1 1 112 112 THR C C 112 175.798 175.798 176.162 -0.364 19354 2677 1 4 . 1 1 112 112 THR CA C 112 62.856 62.856 64.554 -1.698 19354 2678 1 4 . 1 1 112 112 THR CB C 112 70.168 70.168 69.652 0.516 19354 2679 1 4 . 1 1 112 112 THR H H 112 7.574 7.574 7.291 0.283 19354 2680 1 4 . 1 1 113 113 MET N N 113 119.638 119.638 121.715 -2.077 19354 2681 1 4 . 1 1 113 113 MET HA H 113 3.541 3.541 4.198 -0.657 19354 2682 1 4 . 1 1 113 113 MET C C 113 177.174 177.174 178.164 -0.990 19354 2683 1 4 . 1 1 113 113 MET CA C 113 60.235 60.235 58.930 1.305 19354 2684 1 4 . 1 1 113 113 MET CB C 113 32.338 32.338 32.328 0.010 19354 2685 1 4 . 1 1 113 113 MET H H 113 7.152 7.152 7.279 -0.127 19354 2686 1 4 . 1 1 114 114 GLU N N 114 117.224 117.224 119.482 -2.258 19354 2687 1 4 . 1 1 114 114 GLU HA H 114 4.114 4.114 4.075 0.039 19354 2688 1 4 . 1 1 114 114 GLU CA C 114 60.422 60.422 61.327 -0.905 19354 2689 1 4 . 1 1 114 114 GLU CB C 114 26.103 26.103 27.836 -1.733 19354 2690 1 4 . 1 1 114 114 GLU H H 114 8.580 8.580 7.844 0.736 19354 2691 1 4 . 1 1 115 115 PRO HA H 115 4.304 4.304 4.337 -0.033 19354 2692 1 4 . 1 1 115 115 PRO CA C 115 65.128 65.128 64.272 0.856 19354 2693 1 4 . 1 1 115 115 PRO CB C 115 31.141 31.141 31.895 -0.754 19354 2694 1 4 . 1 1 116 116 CYS N N 116 111.879 111.879 121.173 -9.294 19354 2695 1 4 . 1 1 116 116 CYS HA H 116 4.679 4.679 4.768 -0.089 19354 2696 1 4 . 1 1 116 116 CYS C C 116 174.808 174.808 175.494 -0.686 19354 2697 1 4 . 1 1 116 116 CYS CA C 116 54.060 54.060 57.526 -3.466 19354 2698 1 4 . 1 1 116 116 CYS CB C 116 42.879 42.879 25.517 17.362 19354 2699 1 4 . 1 1 116 116 CYS H H 116 7.208 7.208 8.055 -0.847 19354 2700 1 4 . 1 1 117 117 ARG N N 117 123.750 123.750 123.560 0.190 19354 2701 1 4 . 1 1 117 117 ARG HA H 117 3.161 3.161 3.850 -0.689 19354 2702 1 4 . 1 1 117 117 ARG C C 117 178.210 178.210 176.262 1.948 19354 2703 1 4 . 1 1 117 117 ARG CA C 117 59.743 59.743 58.569 1.174 19354 2704 1 4 . 1 1 117 117 ARG CB C 117 29.486 29.486 30.001 -0.515 19354 2705 1 4 . 1 1 117 117 ARG H H 117 7.436 7.436 7.918 -0.482 19354 2706 1 4 . 1 1 118 118 ILE N N 118 116.384 116.384 117.107 -0.723 19354 2707 1 4 . 1 1 118 118 ILE HA H 118 4.000 4.000 3.729 0.271 19354 2708 1 4 . 1 1 118 118 ILE C C 118 176.577 176.577 176.454 0.123 19354 2709 1 4 . 1 1 118 118 ILE CA C 118 63.166 63.166 61.490 1.675 19354 2710 1 4 . 1 1 118 118 ILE CB C 118 37.781 37.781 36.108 1.673 19354 2711 1 4 . 1 1 118 118 ILE H H 118 8.130 8.130 7.786 0.344 19354 2712 1 4 . 1 1 119 119 LEU N N 119 119.738 119.738 120.121 -0.383 19354 2713 1 4 . 1 1 119 119 LEU HA H 119 4.540 4.540 4.408 0.132 19354 2714 1 4 . 1 1 119 119 LEU C C 119 178.346 178.346 177.146 1.200 19354 2715 1 4 . 1 1 119 119 LEU CA C 119 54.697 54.697 53.539 1.158 19354 2716 1 4 . 1 1 119 119 LEU CB C 119 42.872 42.872 40.886 1.986 19354 2717 1 4 . 1 1 119 119 LEU H H 119 7.771 7.771 7.204 0.567 19354 2718 1 4 . 1 1 120 120 TYR N N 120 121.945 121.945 118.627 3.318 19354 2719 1 4 . 1 1 120 120 TYR HA H 120 4.125 4.125 4.105 0.020 19354 2720 1 4 . 1 1 120 120 TYR C C 120 176.169 176.169 176.316 -0.147 19354 2721 1 4 . 1 1 120 120 TYR CA C 120 59.682 59.682 60.887 -1.205 19354 2722 1 4 . 1 1 120 120 TYR CB C 120 37.180 37.180 38.682 -1.502 19354 2723 1 4 . 1 1 120 120 TYR H H 120 7.886 7.886 7.663 0.223 19354 2724 1 4 . 1 1 121 121 ASN N N 121 115.992 115.992 110.256 5.736 19354 2725 1 4 . 1 1 121 121 ASN HA H 121 4.885 4.885 4.763 0.122 19354 2726 1 4 . 1 1 121 121 ASN C C 121 175.612 175.612 174.962 0.650 19354 2727 1 4 . 1 1 121 121 ASN CA C 121 52.670 52.670 53.146 -0.476 19354 2728 1 4 . 1 1 121 121 ASN CB C 121 38.058 38.058 38.886 -0.828 19354 2729 1 4 . 1 1 121 121 ASN H H 121 8.228 8.228 8.428 -0.200 19354 2730 1 4 . 1 1 122 122 THR N N 122 109.094 109.094 118.006 -8.912 19354 2731 1 4 . 1 1 122 122 THR HA H 122 4.682 4.682 4.298 0.384 19354 2732 1 4 . 1 1 122 122 THR C C 122 175.844 175.844 175.215 0.629 19354 2733 1 4 . 1 1 122 122 THR CA C 122 61.815 61.815 62.135 -0.320 19354 2734 1 4 . 1 1 122 122 THR CB C 122 72.484 72.484 70.089 2.395 19354 2735 1 4 . 1 1 122 122 THR H H 122 7.649 7.649 7.956 -0.307 19354 2736 1 4 . 1 1 123 123 THR N N 123 112.067 112.067 118.347 -6.280 19354 2737 1 4 . 1 1 123 123 THR HA H 123 4.026 4.026 4.386 -0.360 19354 2738 1 4 . 1 1 123 123 THR C C 123 175.033 175.033 174.045 0.988 19354 2739 1 4 . 1 1 123 123 THR CA C 123 63.174 63.174 63.263 -0.089 19354 2740 1 4 . 1 1 123 123 THR CB C 123 68.529 68.529 68.471 0.058 19354 2741 1 4 . 1 1 123 123 THR H H 123 8.261 8.261 8.585 -0.324 19354 2742 1 4 . 1 1 124 124 PHE N N 124 118.139 118.139 126.619 -8.480 19354 2743 1 4 . 1 1 124 124 PHE HA H 124 4.153 4.153 4.671 -0.518 19354 2744 1 4 . 1 1 124 124 PHE C C 124 175.398 175.398 174.690 0.708 19354 2745 1 4 . 1 1 124 124 PHE CA C 124 59.890 59.890 58.249 1.641 19354 2746 1 4 . 1 1 124 124 PHE CB C 124 39.668 39.668 41.410 -1.742 19354 2747 1 4 . 1 1 124 124 PHE H H 124 7.764 7.764 8.438 -0.674 19354 2748 1 4 . 1 1 125 125 PHE N N 125 118.447 118.447 118.705 -0.258 19354 2749 1 4 . 1 1 125 125 PHE HA H 125 4.662 4.662 5.023 -0.361 19354 2750 1 4 . 1 1 125 125 PHE CA C 125 56.245 56.245 54.727 1.518 19354 2751 1 4 . 1 1 125 125 PHE CB C 125 38.810 38.810 40.330 -1.520 19354 2752 1 4 . 1 1 125 125 PHE H H 125 7.670 7.670 8.115 -0.445 19354 2753 1 4 . 1 1 126 126 PRO HA H 126 4.398 4.398 4.653 -0.255 19354 2754 1 4 . 1 1 126 126 PRO CA C 126 62.432 62.432 62.509 -0.077 19354 2755 1 4 . 1 1 126 126 PRO CB C 126 32.670 32.670 32.688 -0.018 19354 2756 1 4 . 1 1 127 127 LYS N N 127 118.753 118.753 118.883 -0.130 19354 2757 1 4 . 1 1 127 127 LYS HA H 127 3.580 3.580 4.113 -0.533 19354 2758 1 4 . 1 1 127 127 LYS C C 127 177.977 177.977 178.206 -0.229 19354 2759 1 4 . 1 1 127 127 LYS CA C 127 60.279 60.279 58.259 2.020 19354 2760 1 4 . 1 1 127 127 LYS CB C 127 31.599 31.599 31.563 0.036 19354 2761 1 4 . 1 1 127 127 LYS H H 127 8.565 8.565 8.782 -0.217 19354 2762 1 4 . 1 1 128 128 PHE N N 128 110.638 110.638 119.545 -8.907 19354 2763 1 4 . 1 1 128 128 PHE HA H 128 4.481 4.481 4.448 0.033 19354 2764 1 4 . 1 1 128 128 PHE C C 128 173.946 173.946 176.192 -2.246 19354 2765 1 4 . 1 1 128 128 PHE CA C 128 57.841 57.841 60.380 -2.539 19354 2766 1 4 . 1 1 128 128 PHE CB C 128 36.807 36.807 39.134 -2.327 19354 2767 1 4 . 1 1 128 128 PHE H H 128 6.795 6.795 8.085 -1.290 19354 2768 1 4 . 1 1 129 129 LEU N N 129 119.653 119.653 120.984 -1.331 19354 2769 1 4 . 1 1 129 129 LEU HA H 129 4.710 4.710 4.075 0.635 19354 2770 1 4 . 1 1 129 129 LEU C C 129 175.398 175.398 176.503 -1.105 19354 2771 1 4 . 1 1 129 129 LEU CA C 129 53.169 53.169 53.530 -0.361 19354 2772 1 4 . 1 1 129 129 LEU CB C 129 44.901 44.901 40.575 4.325 19354 2773 1 4 . 1 1 129 129 LEU H H 129 7.204 7.204 7.820 -0.616 19354 2774 1 4 . 1 1 130 130 ARG N N 130 116.807 116.807 121.395 -4.588 19354 2775 1 4 . 1 1 130 130 ARG HA H 130 4.328 4.328 4.355 -0.027 19354 2776 1 4 . 1 1 130 130 ARG C C 130 177.099 177.099 175.136 1.963 19354 2777 1 4 . 1 1 130 130 ARG CA C 130 55.250 55.250 55.780 -0.530 19354 2778 1 4 . 1 1 130 130 ARG CB C 130 30.355 30.355 27.684 2.671 19354 2779 1 4 . 1 1 130 130 ARG H H 130 7.090 7.090 7.939 -0.849 19354 2780 1 4 . 1 1 131 131 CYS N N 131 117.271 117.271 120.396 -3.125 19354 2781 1 4 . 1 1 131 131 CYS HA H 131 4.588 4.588 4.723 -0.135 19354 2782 1 4 . 1 1 131 131 CYS C C 131 175.022 175.022 173.237 1.785 19354 2783 1 4 . 1 1 131 131 CYS CA C 131 54.449 54.449 57.553 -3.104 19354 2784 1 4 . 1 1 131 131 CYS CB C 131 34.958 34.958 30.637 4.321 19354 2785 1 4 . 1 1 131 131 CYS H H 131 8.210 8.210 8.431 -0.221 19354 2786 1 4 . 1 1 132 132 ASN N N 132 120.232 120.232 126.715 -6.483 19354 2787 1 4 . 1 1 132 132 ASN HA H 132 4.811 4.811 4.760 0.051 19354 2788 1 4 . 1 1 132 132 ASN C C 132 175.080 175.080 174.323 0.757 19354 2789 1 4 . 1 1 132 132 ASN CA C 132 53.188 53.188 53.274 -0.086 19354 2790 1 4 . 1 1 132 132 ASN CB C 132 40.003 40.003 38.854 1.149 19354 2791 1 4 . 1 1 132 132 ASN H H 132 7.801 7.801 8.606 -0.805 19354 2792 1 4 . 1 1 133 133 GLU N N 133 123.435 123.435 122.965 0.470 19354 2793 1 4 . 1 1 133 133 GLU HA H 133 4.225 4.225 4.393 -0.168 19354 2794 1 4 . 1 1 133 133 GLU C C 133 176.447 176.447 176.778 -0.331 19354 2795 1 4 . 1 1 133 133 GLU CA C 133 57.928 57.928 57.173 0.755 19354 2796 1 4 . 1 1 133 133 GLU CB C 133 29.822 29.822 31.203 -1.381 19354 2797 1 4 . 1 1 133 133 GLU H H 133 9.086 9.086 8.601 0.485 19354 2798 1 4 . 1 1 134 134 THR N N 134 113.403 113.403 111.249 2.154 19354 2799 1 4 . 1 1 134 134 THR HA H 134 3.964 3.964 4.350 -0.386 19354 2800 1 4 . 1 1 134 134 THR C C 134 174.853 174.853 174.904 -0.051 19354 2801 1 4 . 1 1 134 134 THR CA C 134 63.694 63.694 63.275 0.419 19354 2802 1 4 . 1 1 134 134 THR CB C 134 68.841 68.841 68.617 0.224 19354 2803 1 4 . 1 1 134 134 THR H H 134 8.067 8.067 8.208 -0.141 19354 2804 1 4 . 1 1 135 135 LEU N N 135 121.377 121.377 119.828 1.549 19354 2805 1 4 . 1 1 135 135 LEU HA H 135 3.964 3.964 4.386 -0.422 19354 2806 1 4 . 1 1 135 135 LEU C C 135 176.215 176.215 175.846 0.369 19354 2807 1 4 . 1 1 135 135 LEU CA C 135 55.656 55.656 55.665 -0.009 19354 2808 1 4 . 1 1 135 135 LEU CB C 135 42.291 42.291 42.837 -0.546 19354 2809 1 4 . 1 1 135 135 LEU H H 135 7.448 7.448 7.741 -0.293 19354 2810 1 4 . 1 1 136 136 PHE N N 136 117.704 117.704 116.324 1.380 19354 2811 1 4 . 1 1 136 136 PHE HA H 136 5.202 5.202 4.852 0.350 19354 2812 1 4 . 1 1 136 136 PHE C C 136 179.412 179.412 173.609 5.803 19354 2813 1 4 . 1 1 136 136 PHE CA C 136 53.495 53.495 55.778 -2.283 19354 2814 1 4 . 1 1 136 136 PHE CB C 136 39.248 39.248 38.768 0.480 19354 2815 1 4 . 1 1 136 136 PHE H H 136 7.542 7.542 7.818 -0.276 19354 2816 1 4 . 1 1 137 137 PRO HA H 137 4.528 4.528 4.507 0.021 19354 2817 1 4 . 1 1 137 137 PRO CA C 137 62.949 62.949 64.878 -1.929 19354 2818 1 4 . 1 1 137 137 PRO CB C 137 32.242 32.242 32.584 -0.342 19354 2819 1 4 . 1 1 138 138 THR N N 138 114.025 114.025 110.314 3.711 19354 2820 1 4 . 1 1 138 138 THR HA H 138 4.324 4.324 4.304 0.020 19354 2821 1 4 . 1 1 138 138 THR C C 138 174.175 174.175 173.834 0.341 19354 2822 1 4 . 1 1 138 138 THR CA C 138 61.863 61.863 61.734 0.129 19354 2823 1 4 . 1 1 138 138 THR CB C 138 69.742 69.742 69.166 0.576 19354 2824 1 4 . 1 1 138 138 THR H H 138 8.452 8.452 8.107 0.345 19354 2825 1 5 . 1 1 13 13 GLY N N 13 110.400 110.400 113.211 -2.811 19354 2826 1 5 . 1 1 13 13 GLY C C 13 173.560 173.560 172.441 1.119 19354 2827 1 5 . 1 1 13 13 GLY CA C 13 45.111 45.111 45.624 -0.513 19354 2828 1 5 . 1 1 13 13 GLY H H 13 8.335 8.335 8.387 -0.052 19354 2829 1 5 . 1 1 14 14 LEU N N 14 121.222 121.222 124.700 -3.478 19354 2830 1 5 . 1 1 14 14 LEU HA H 14 4.378 4.378 4.544 -0.166 19354 2831 1 5 . 1 1 14 14 LEU C C 14 177.119 177.119 177.056 0.063 19354 2832 1 5 . 1 1 14 14 LEU CA C 14 54.838 54.838 53.510 1.329 19354 2833 1 5 . 1 1 14 14 LEU CB C 14 42.429 42.429 43.835 -1.406 19354 2834 1 5 . 1 1 14 14 LEU H H 14 7.915 7.915 8.018 -0.103 19354 2835 1 5 . 1 1 15 15 VAL N N 15 123.222 123.222 117.924 5.298 19354 2836 1 5 . 1 1 15 15 VAL HA H 15 4.335 4.335 4.656 -0.321 19354 2837 1 5 . 1 1 15 15 VAL C C 15 175.602 175.602 175.396 0.206 19354 2838 1 5 . 1 1 15 15 VAL CA C 15 59.375 59.375 58.664 0.711 19354 2839 1 5 . 1 1 15 15 VAL CB C 15 33.197 33.197 31.823 1.374 19354 2840 1 5 . 1 1 15 15 VAL H H 15 8.297 8.297 8.247 0.050 19354 2841 1 5 . 1 1 16 16 PRO HA H 16 4.379 4.379 4.394 -0.015 19354 2842 1 5 . 1 1 16 16 PRO CA C 16 62.925 62.925 64.732 -1.807 19354 2843 1 5 . 1 1 16 16 PRO CB C 16 32.043 32.043 31.718 0.325 19354 2844 1 5 . 1 1 17 17 ARG N N 17 122.742 122.742 118.795 3.947 19354 2845 1 5 . 1 1 17 17 ARG HA H 17 4.219 4.219 4.131 0.088 19354 2846 1 5 . 1 1 17 17 ARG C C 17 176.586 176.586 177.155 -0.569 19354 2847 1 5 . 1 1 17 17 ARG CA C 17 55.479 55.479 56.662 -1.183 19354 2848 1 5 . 1 1 17 17 ARG CB C 17 30.889 30.889 30.006 0.883 19354 2849 1 5 . 1 1 17 17 ARG H H 17 8.469 8.469 8.111 0.358 19354 2850 1 5 . 1 1 18 18 GLY N N 18 111.993 111.993 107.579 4.414 19354 2851 1 5 . 1 1 18 18 GLY C C 18 174.453 174.453 173.695 0.758 19354 2852 1 5 . 1 1 18 18 GLY CA C 18 45.670 45.670 44.849 0.820 19354 2853 1 5 . 1 1 18 18 GLY H H 18 8.538 8.538 7.940 0.598 19354 2854 1 5 . 1 1 19 19 SER HA H 19 4.318 4.318 4.499 -0.181 19354 2855 1 5 . 1 1 19 19 SER CA C 19 58.480 58.480 57.671 0.809 19354 2856 1 5 . 1 1 19 19 SER CB C 19 63.535 63.535 65.105 -1.570 19354 2857 1 5 . 1 1 20 20 HIS N N 20 120.039 120.039 118.865 1.174 19354 2858 1 5 . 1 1 20 20 HIS HA H 20 4.678 4.678 4.800 -0.122 19354 2859 1 5 . 1 1 20 20 HIS C C 20 174.263 174.263 174.962 -0.699 19354 2860 1 5 . 1 1 20 20 HIS CA C 20 55.889 55.889 56.358 -0.468 19354 2861 1 5 . 1 1 20 20 HIS CB C 20 32.027 32.027 28.513 3.514 19354 2862 1 5 . 1 1 20 20 HIS H H 20 8.344 8.344 9.069 -0.725 19354 2863 1 5 . 1 1 21 21 MET N N 21 120.453 120.453 118.572 1.881 19354 2864 1 5 . 1 1 21 21 MET HA H 21 4.676 4.676 4.552 0.124 19354 2865 1 5 . 1 1 21 21 MET C C 21 174.808 174.808 174.831 -0.023 19354 2866 1 5 . 1 1 21 21 MET CA C 21 54.232 54.232 55.882 -1.650 19354 2867 1 5 . 1 1 21 21 MET CB C 21 32.377 32.377 33.118 -0.741 19354 2868 1 5 . 1 1 21 21 MET H H 21 8.587 8.587 8.036 0.551 19354 2869 1 5 . 1 1 22 22 VAL N N 22 112.794 112.794 116.810 -4.016 19354 2870 1 5 . 1 1 22 22 VAL HA H 22 5.297 5.297 4.895 0.402 19354 2871 1 5 . 1 1 22 22 VAL C C 22 175.218 175.218 174.297 0.921 19354 2872 1 5 . 1 1 22 22 VAL CA C 22 57.885 57.885 59.970 -2.085 19354 2873 1 5 . 1 1 22 22 VAL CB C 22 35.895 35.895 35.830 0.065 19354 2874 1 5 . 1 1 22 22 VAL H H 22 7.805 7.805 7.288 0.517 19354 2875 1 5 . 1 1 23 23 ARG N N 23 117.854 117.854 119.931 -2.077 19354 2876 1 5 . 1 1 23 23 ARG HA H 23 4.578 4.578 4.797 -0.219 19354 2877 1 5 . 1 1 23 23 ARG C C 23 174.128 174.128 174.728 -0.600 19354 2878 1 5 . 1 1 23 23 ARG CA C 23 54.192 54.192 53.134 1.058 19354 2879 1 5 . 1 1 23 23 ARG CB C 23 34.757 34.757 33.173 1.584 19354 2880 1 5 . 1 1 23 23 ARG H H 23 8.430 8.430 8.013 0.417 19354 2881 1 5 . 1 1 24 24 ARG N N 24 124.928 124.928 123.818 1.110 19354 2882 1 5 . 1 1 24 24 ARG HA H 24 4.619 4.619 4.435 0.184 19354 2883 1 5 . 1 1 24 24 ARG C C 24 176.265 176.265 175.392 0.873 19354 2884 1 5 . 1 1 24 24 ARG CA C 24 57.824 57.824 55.753 2.071 19354 2885 1 5 . 1 1 24 24 ARG CB C 24 29.913 29.913 28.350 1.563 19354 2886 1 5 . 1 1 24 24 ARG H H 24 8.569 8.569 8.773 -0.204 19354 2887 1 5 . 1 1 25 25 ALA N N 25 127.390 127.390 124.456 2.934 19354 2888 1 5 . 1 1 25 25 ALA HA H 25 4.379 4.379 4.624 -0.245 19354 2889 1 5 . 1 1 25 25 ALA C C 25 174.173 174.173 175.418 -1.245 19354 2890 1 5 . 1 1 25 25 ALA CA C 25 51.382 51.382 50.356 1.026 19354 2891 1 5 . 1 1 25 25 ALA CB C 25 23.050 23.050 21.564 1.486 19354 2892 1 5 . 1 1 25 25 ALA H H 25 8.082 8.082 7.773 0.309 19354 2893 1 5 . 1 1 26 26 ARG N N 26 116.820 116.820 118.782 -1.962 19354 2894 1 5 . 1 1 26 26 ARG HA H 26 4.692 4.692 4.571 0.121 19354 2895 1 5 . 1 1 26 26 ARG C C 26 177.847 177.847 175.194 2.653 19354 2896 1 5 . 1 1 26 26 ARG CA C 26 55.271 55.271 55.269 0.002 19354 2897 1 5 . 1 1 26 26 ARG CB C 26 31.215 31.215 32.565 -1.350 19354 2898 1 5 . 1 1 26 26 ARG H H 26 8.133 8.133 8.377 -0.244 19354 2899 1 5 . 1 1 27 27 CYS N N 27 126.567 126.567 118.431 8.136 19354 2900 1 5 . 1 1 27 27 CYS HA H 27 5.732 5.732 5.478 0.254 19354 2901 1 5 . 1 1 27 27 CYS C C 27 175.288 175.288 174.080 1.208 19354 2902 1 5 . 1 1 27 27 CYS CA C 27 51.785 51.785 55.858 -4.073 19354 2903 1 5 . 1 1 27 27 CYS CB C 27 38.246 38.246 30.495 7.751 19354 2904 1 5 . 1 1 27 27 CYS H H 27 9.709 9.709 8.515 1.194 19354 2905 1 5 . 1 1 28 28 TYR N N 28 120.309 120.309 116.289 4.020 19354 2906 1 5 . 1 1 28 28 TYR HA H 28 5.079 5.079 5.032 0.047 19354 2907 1 5 . 1 1 28 28 TYR CA C 28 54.951 54.951 54.332 0.619 19354 2908 1 5 . 1 1 28 28 TYR CB C 28 39.807 39.807 38.582 1.225 19354 2909 1 5 . 1 1 28 28 TYR H H 28 8.870 8.870 8.727 0.143 19354 2910 1 5 . 1 1 29 29 PRO HA H 29 4.836 4.836 4.803 0.033 19354 2911 1 5 . 1 1 29 29 PRO CA C 29 61.773 61.773 62.782 -1.009 19354 2912 1 5 . 1 1 29 29 PRO CB C 29 31.173 31.173 31.945 -0.772 19354 2913 1 5 . 1 1 30 30 THR N N 30 115.177 115.177 119.779 -4.602 19354 2914 1 5 . 1 1 30 30 THR HA H 30 4.253 4.253 4.330 -0.077 19354 2915 1 5 . 1 1 30 30 THR C C 30 173.688 173.688 175.456 -1.768 19354 2916 1 5 . 1 1 30 30 THR CA C 30 61.324 61.324 64.493 -3.169 19354 2917 1 5 . 1 1 30 30 THR CB C 30 70.191 70.191 69.193 0.998 19354 2918 1 5 . 1 1 30 30 THR H H 30 7.978 7.978 8.811 -0.833 19354 2919 1 5 . 1 1 31 31 SER N N 31 116.822 116.822 114.394 2.428 19354 2920 1 5 . 1 1 31 31 SER HA H 31 4.702 4.702 4.624 0.078 19354 2921 1 5 . 1 1 31 31 SER C C 31 175.079 175.079 174.707 0.372 19354 2922 1 5 . 1 1 31 31 SER CA C 31 57.057 57.057 56.996 0.061 19354 2923 1 5 . 1 1 31 31 SER CB C 31 66.020 66.020 64.556 1.464 19354 2924 1 5 . 1 1 31 31 SER H H 31 8.451 8.451 8.333 0.118 19354 2925 1 5 . 1 1 32 32 ASN N N 32 118.803 118.803 119.513 -0.710 19354 2926 1 5 . 1 1 32 32 ASN HA H 32 4.385 4.385 4.658 -0.273 19354 2927 1 5 . 1 1 32 32 ASN C C 32 175.705 175.705 176.079 -0.374 19354 2928 1 5 . 1 1 32 32 ASN CA C 32 55.564 55.564 55.571 -0.007 19354 2929 1 5 . 1 1 32 32 ASN CB C 32 37.637 37.637 38.907 -1.270 19354 2930 1 5 . 1 1 32 32 ASN H H 32 8.802 8.802 8.709 0.093 19354 2931 1 5 . 1 1 33 33 ALA N N 33 118.571 118.571 121.501 -2.930 19354 2932 1 5 . 1 1 33 33 ALA HA H 33 4.262 4.262 4.361 -0.099 19354 2933 1 5 . 1 1 33 33 ALA C C 33 179.229 179.229 177.442 1.787 19354 2934 1 5 . 1 1 33 33 ALA CA C 33 53.087 53.087 53.510 -0.423 19354 2935 1 5 . 1 1 33 33 ALA CB C 33 19.563 19.563 19.476 0.087 19354 2936 1 5 . 1 1 33 33 ALA H H 33 8.004 8.004 7.881 0.123 19354 2937 1 5 . 1 1 34 34 THR N N 34 106.312 106.312 110.045 -3.733 19354 2938 1 5 . 1 1 34 34 THR HA H 34 4.581 4.581 4.338 0.243 19354 2939 1 5 . 1 1 34 34 THR C C 34 175.334 175.334 172.651 2.683 19354 2940 1 5 . 1 1 34 34 THR CA C 34 60.586 60.586 61.520 -0.934 19354 2941 1 5 . 1 1 34 34 THR CB C 34 70.195 70.195 69.873 0.322 19354 2942 1 5 . 1 1 34 34 THR H H 34 7.551 7.551 7.643 -0.092 19354 2943 1 5 . 1 1 35 35 ASN N N 35 122.599 122.599 121.014 1.585 19354 2944 1 5 . 1 1 35 35 ASN HA H 35 4.528 4.528 4.878 -0.350 19354 2945 1 5 . 1 1 35 35 ASN C C 35 174.221 174.221 174.407 -0.186 19354 2946 1 5 . 1 1 35 35 ASN CA C 35 52.790 52.790 52.954 -0.164 19354 2947 1 5 . 1 1 35 35 ASN CB C 35 36.768 36.768 40.000 -3.232 19354 2948 1 5 . 1 1 35 35 ASN H H 35 7.897 7.897 8.607 -0.710 19354 2949 1 5 . 1 1 36 36 THR N N 36 107.151 107.151 116.178 -9.027 19354 2950 1 5 . 1 1 36 36 THR HA H 36 4.979 4.979 4.484 0.495 19354 2951 1 5 . 1 1 36 36 THR C C 36 173.651 173.651 172.565 1.086 19354 2952 1 5 . 1 1 36 36 THR CA C 36 59.011 59.011 61.897 -2.886 19354 2953 1 5 . 1 1 36 36 THR CB C 36 72.745 72.745 71.668 1.077 19354 2954 1 5 . 1 1 36 36 THR H H 36 7.490 7.490 8.120 -0.630 19354 2955 1 5 . 1 1 37 37 CYS N N 37 118.809 118.809 124.346 -5.537 19354 2956 1 5 . 1 1 37 37 CYS HA H 37 4.095 4.095 4.911 -0.816 19354 2957 1 5 . 1 1 37 37 CYS C C 37 173.688 173.688 173.715 -0.027 19354 2958 1 5 . 1 1 37 37 CYS CA C 37 55.634 55.634 58.815 -3.181 19354 2959 1 5 . 1 1 37 37 CYS CB C 37 45.854 45.854 28.500 17.354 19354 2960 1 5 . 1 1 37 37 CYS H H 37 8.632 8.632 8.368 0.264 19354 2961 1 5 . 1 1 38 38 PHE N N 38 128.190 128.190 126.695 1.495 19354 2962 1 5 . 1 1 38 38 PHE HA H 38 4.275 4.275 4.297 -0.022 19354 2963 1 5 . 1 1 38 38 PHE C C 38 176.261 176.261 175.893 0.368 19354 2964 1 5 . 1 1 38 38 PHE CA C 38 59.067 59.067 57.750 1.317 19354 2965 1 5 . 1 1 38 38 PHE CB C 38 36.576 36.576 37.672 -1.096 19354 2966 1 5 . 1 1 38 38 PHE H H 38 9.018 9.018 9.123 -0.105 19354 2967 1 5 . 1 1 39 39 GLY N N 39 104.504 104.504 106.024 -1.520 19354 2968 1 5 . 1 1 39 39 GLY C C 39 174.173 174.173 174.412 -0.239 19354 2969 1 5 . 1 1 39 39 GLY CA C 39 45.112 45.112 45.527 -0.415 19354 2970 1 5 . 1 1 39 39 GLY H H 39 8.566 8.566 8.651 -0.085 19354 2971 1 5 . 1 1 40 40 SER N N 40 116.201 116.201 115.572 0.629 19354 2972 1 5 . 1 1 40 40 SER HA H 40 4.529 4.529 4.572 -0.043 19354 2973 1 5 . 1 1 40 40 SER C C 40 173.873 173.873 173.609 0.264 19354 2974 1 5 . 1 1 40 40 SER CA C 40 57.436 57.436 57.228 0.208 19354 2975 1 5 . 1 1 40 40 SER CB C 40 63.718 63.718 64.933 -1.215 19354 2976 1 5 . 1 1 40 40 SER H H 40 7.533 7.533 7.362 0.171 19354 2977 1 5 . 1 1 41 41 LYS N N 41 127.456 127.456 126.725 0.731 19354 2978 1 5 . 1 1 41 41 LYS HA H 41 4.056 4.056 4.153 -0.097 19354 2979 1 5 . 1 1 41 41 LYS C C 41 176.632 176.632 176.219 0.413 19354 2980 1 5 . 1 1 41 41 LYS CA C 41 56.409 56.409 57.648 -1.239 19354 2981 1 5 . 1 1 41 41 LYS CB C 41 32.169 32.169 32.615 -0.446 19354 2982 1 5 . 1 1 41 41 LYS H H 41 8.768 8.768 8.591 0.177 19354 2983 1 5 . 1 1 42 42 LEU N N 42 128.016 128.016 127.505 0.511 19354 2984 1 5 . 1 1 42 42 LEU HA H 42 4.120 4.120 4.216 -0.096 19354 2985 1 5 . 1 1 42 42 LEU CA C 42 52.010 52.010 52.836 -0.826 19354 2986 1 5 . 1 1 42 42 LEU CB C 42 40.680 40.680 41.241 -0.561 19354 2987 1 5 . 1 1 42 42 LEU H H 42 8.304 8.304 7.988 0.316 19354 2988 1 5 . 1 1 43 43 PRO HA H 43 4.453 4.453 4.253 0.200 19354 2989 1 5 . 1 1 43 43 PRO CA C 43 62.807 62.807 64.071 -1.264 19354 2990 1 5 . 1 1 43 43 PRO CB C 43 29.625 29.625 31.808 -2.183 19354 2991 1 5 . 1 1 44 44 TYR N N 44 116.871 116.871 115.682 1.189 19354 2992 1 5 . 1 1 44 44 TYR HA H 44 4.689 4.689 4.820 -0.131 19354 2993 1 5 . 1 1 44 44 TYR C C 44 175.239 175.239 175.359 -0.120 19354 2994 1 5 . 1 1 44 44 TYR CA C 44 53.718 53.718 55.097 -1.379 19354 2995 1 5 . 1 1 44 44 TYR CB C 44 38.637 38.637 39.700 -1.063 19354 2996 1 5 . 1 1 44 44 TYR H H 44 6.311 6.311 6.962 -0.651 19354 2997 1 5 . 1 1 45 45 GLU N N 45 118.221 118.221 121.792 -3.571 19354 2998 1 5 . 1 1 45 45 GLU HA H 45 4.138 4.138 4.418 -0.280 19354 2999 1 5 . 1 1 45 45 GLU C C 45 176.282 176.282 175.367 0.915 19354 3000 1 5 . 1 1 45 45 GLU CA C 45 57.502 57.502 56.467 1.035 19354 3001 1 5 . 1 1 45 45 GLU CB C 45 31.105 31.105 30.297 0.808 19354 3002 1 5 . 1 1 45 45 GLU H H 45 8.591 8.591 8.868 -0.277 19354 3003 1 5 . 1 1 46 46 LEU N N 46 119.826 119.826 119.837 -0.011 19354 3004 1 5 . 1 1 46 46 LEU HA H 46 4.974 4.974 5.114 -0.140 19354 3005 1 5 . 1 1 46 46 LEU C C 46 175.420 175.420 176.231 -0.811 19354 3006 1 5 . 1 1 46 46 LEU CA C 46 53.202 53.202 53.664 -0.462 19354 3007 1 5 . 1 1 46 46 LEU CB C 46 43.587 43.587 44.593 -1.006 19354 3008 1 5 . 1 1 46 46 LEU H H 46 8.176 8.176 7.619 0.557 19354 3009 1 5 . 1 1 47 47 SER N N 47 111.561 111.561 113.473 -1.912 19354 3010 1 5 . 1 1 47 47 SER HA H 47 5.020 5.020 4.583 0.437 19354 3011 1 5 . 1 1 47 47 SER C C 47 173.833 173.833 172.499 1.334 19354 3012 1 5 . 1 1 47 47 SER CA C 47 53.006 53.006 56.595 -3.589 19354 3013 1 5 . 1 1 47 47 SER CB C 47 64.691 64.691 65.162 -0.471 19354 3014 1 5 . 1 1 47 47 SER H H 47 7.924 7.924 8.194 -0.270 19354 3015 1 5 . 1 1 48 48 SER N N 48 111.459 111.459 121.973 -10.514 19354 3016 1 5 . 1 1 48 48 SER HA H 48 4.841 4.841 4.917 -0.076 19354 3017 1 5 . 1 1 48 48 SER C C 48 175.602 175.602 175.513 0.089 19354 3018 1 5 . 1 1 48 48 SER CA C 48 57.388 57.388 55.586 1.802 19354 3019 1 5 . 1 1 48 48 SER CB C 48 66.333 66.333 63.903 2.430 19354 3020 1 5 . 1 1 48 48 SER H H 48 8.628 8.628 8.672 -0.044 19354 3021 1 5 . 1 1 49 49 LEU N N 49 128.995 128.995 130.578 -1.583 19354 3022 1 5 . 1 1 49 49 LEU HA H 49 4.383 4.383 4.371 0.012 19354 3023 1 5 . 1 1 49 49 LEU C C 49 179.571 179.571 178.452 1.119 19354 3024 1 5 . 1 1 49 49 LEU CA C 49 56.032 56.032 57.170 -1.138 19354 3025 1 5 . 1 1 49 49 LEU CB C 49 41.904 41.904 41.690 0.214 19354 3026 1 5 . 1 1 49 49 LEU H H 49 9.519 9.519 9.190 0.329 19354 3027 1 5 . 1 1 50 50 ASP N N 50 115.013 115.013 118.427 -3.414 19354 3028 1 5 . 1 1 50 50 ASP HA H 50 4.168 4.168 4.373 -0.205 19354 3029 1 5 . 1 1 50 50 ASP C C 50 176.486 176.486 177.714 -1.228 19354 3030 1 5 . 1 1 50 50 ASP CA C 50 58.352 58.352 56.491 1.861 19354 3031 1 5 . 1 1 50 50 ASP CB C 50 41.259 41.259 40.791 0.468 19354 3032 1 5 . 1 1 50 50 ASP H H 50 8.191 8.191 8.245 -0.054 19354 3033 1 5 . 1 1 51 51 LEU N N 51 118.298 118.298 119.093 -0.795 19354 3034 1 5 . 1 1 51 51 LEU HA H 51 4.329 4.329 4.188 0.141 19354 3035 1 5 . 1 1 51 51 LEU C C 51 175.556 175.556 177.161 -1.605 19354 3036 1 5 . 1 1 51 51 LEU CA C 51 54.483 54.483 56.277 -1.794 19354 3037 1 5 . 1 1 51 51 LEU CB C 51 39.219 39.219 41.854 -2.635 19354 3038 1 5 . 1 1 51 51 LEU H H 51 8.732 8.732 7.714 1.018 19354 3039 1 5 . 1 1 52 52 THR N N 52 106.427 106.427 111.749 -5.322 19354 3040 1 5 . 1 1 52 52 THR HA H 52 2.784 2.784 4.462 -1.678 19354 3041 1 5 . 1 1 52 52 THR C C 52 172.812 172.812 173.553 -0.741 19354 3042 1 5 . 1 1 52 52 THR CA C 52 58.759 58.759 60.189 -1.430 19354 3043 1 5 . 1 1 52 52 THR CB C 52 71.985 71.985 70.408 1.577 19354 3044 1 5 . 1 1 52 52 THR H H 52 7.574 7.574 7.547 0.027 19354 3045 1 5 . 1 1 53 53 ASP HA H 53 4.398 4.398 4.676 -0.278 19354 3046 1 5 . 1 1 53 53 ASP CA C 53 52.757 52.757 53.207 -0.450 19354 3047 1 5 . 1 1 53 53 ASP CB C 53 40.737 40.737 40.125 0.612 19354 3048 1 5 . 1 1 54 54 PHE N N 54 117.929 117.929 117.026 0.903 19354 3049 1 5 . 1 1 54 54 PHE HA H 54 4.498 4.498 4.750 -0.252 19354 3050 1 5 . 1 1 54 54 PHE C C 54 176.169 176.169 175.297 0.872 19354 3051 1 5 . 1 1 54 54 PHE CA C 54 57.477 57.477 56.163 1.314 19354 3052 1 5 . 1 1 54 54 PHE CB C 54 39.270 39.270 40.879 -1.609 19354 3053 1 5 . 1 1 54 54 PHE H H 54 7.575 7.575 7.531 0.044 19354 3054 1 5 . 1 1 55 55 HIS N N 55 115.333 115.333 116.727 -1.394 19354 3055 1 5 . 1 1 55 55 HIS HA H 55 4.585 4.585 4.784 -0.199 19354 3056 1 5 . 1 1 55 55 HIS C C 55 175.080 175.080 174.554 0.526 19354 3057 1 5 . 1 1 55 55 HIS CA C 55 56.439 56.439 56.764 -0.325 19354 3058 1 5 . 1 1 55 55 HIS CB C 55 31.104 31.104 31.196 -0.092 19354 3059 1 5 . 1 1 55 55 HIS H H 55 9.230 9.230 8.680 0.550 19354 3060 1 5 . 1 1 56 56 THR N N 56 106.891 106.891 109.524 -2.633 19354 3061 1 5 . 1 1 56 56 THR HA H 56 4.528 4.528 4.509 0.019 19354 3062 1 5 . 1 1 56 56 THR C C 56 173.696 173.696 174.781 -1.085 19354 3063 1 5 . 1 1 56 56 THR CA C 56 58.725 58.725 60.005 -1.280 19354 3064 1 5 . 1 1 56 56 THR CB C 56 72.851 72.851 71.073 1.778 19354 3065 1 5 . 1 1 56 56 THR H H 56 7.343 7.343 7.700 -0.357 19354 3066 1 5 . 1 1 57 57 GLU N N 57 121.798 121.798 119.373 2.425 19354 3067 1 5 . 1 1 57 57 GLU HA H 57 3.611 3.611 4.100 -0.489 19354 3068 1 5 . 1 1 57 57 GLU C C 57 178.417 178.417 178.453 -0.036 19354 3069 1 5 . 1 1 57 57 GLU CA C 57 59.380 59.380 58.977 0.403 19354 3070 1 5 . 1 1 57 57 GLU CB C 57 29.873 29.873 29.742 0.131 19354 3071 1 5 . 1 1 57 57 GLU H H 57 8.841 8.841 8.657 0.184 19354 3072 1 5 . 1 1 58 58 LYS N N 58 121.091 121.091 119.874 1.217 19354 3073 1 5 . 1 1 58 58 LYS HA H 58 3.903 3.903 3.933 -0.030 19354 3074 1 5 . 1 1 58 58 LYS C C 58 177.745 177.745 178.430 -0.685 19354 3075 1 5 . 1 1 58 58 LYS CA C 58 59.470 59.470 59.094 0.376 19354 3076 1 5 . 1 1 58 58 LYS CB C 58 32.130 32.130 31.608 0.522 19354 3077 1 5 . 1 1 58 58 LYS H H 58 8.307 8.307 7.889 0.418 19354 3078 1 5 . 1 1 59 59 GLU N N 59 117.790 117.790 119.625 -1.835 19354 3079 1 5 . 1 1 59 59 GLU HA H 59 3.852 3.852 3.887 -0.035 19354 3080 1 5 . 1 1 59 59 GLU C C 59 178.051 178.051 178.167 -0.116 19354 3081 1 5 . 1 1 59 59 GLU CA C 59 59.094 59.094 59.323 -0.229 19354 3082 1 5 . 1 1 59 59 GLU CB C 59 30.468 30.468 29.158 1.310 19354 3083 1 5 . 1 1 59 59 GLU H H 59 7.537 7.537 7.493 0.044 19354 3084 1 5 . 1 1 60 60 LEU N N 60 118.763 118.763 120.628 -1.865 19354 3085 1 5 . 1 1 60 60 LEU HA H 60 3.211 3.211 3.038 0.173 19354 3086 1 5 . 1 1 60 60 LEU C C 60 178.070 178.070 178.601 -0.531 19354 3087 1 5 . 1 1 60 60 LEU CA C 60 59.007 59.007 57.256 1.751 19354 3088 1 5 . 1 1 60 60 LEU CB C 60 42.750 42.750 41.850 0.900 19354 3089 1 5 . 1 1 60 60 LEU H H 60 7.321 7.321 7.141 0.180 19354 3090 1 5 . 1 1 61 61 ASN N N 61 116.987 116.987 116.343 0.644 19354 3091 1 5 . 1 1 61 61 ASN HA H 61 4.127 4.127 4.364 -0.237 19354 3092 1 5 . 1 1 61 61 ASN C C 61 177.689 177.689 177.479 0.210 19354 3093 1 5 . 1 1 61 61 ASN CA C 61 57.310 57.310 56.083 1.227 19354 3094 1 5 . 1 1 61 61 ASN CB C 61 39.288 39.288 38.480 0.808 19354 3095 1 5 . 1 1 61 61 ASN H H 61 8.335 8.335 8.051 0.284 19354 3096 1 5 . 1 1 62 62 ASP N N 62 120.935 120.935 120.627 0.308 19354 3097 1 5 . 1 1 62 62 ASP HA H 62 4.306 4.306 4.480 -0.174 19354 3098 1 5 . 1 1 62 62 ASP C C 62 178.868 178.868 178.279 0.589 19354 3099 1 5 . 1 1 62 62 ASP CA C 62 57.510 57.510 56.798 0.712 19354 3100 1 5 . 1 1 62 62 ASP CB C 62 39.596 39.596 40.813 -1.217 19354 3101 1 5 . 1 1 62 62 ASP H H 62 8.376 8.376 7.824 0.552 19354 3102 1 5 . 1 1 63 63 LYS N N 63 119.626 119.626 120.909 -1.283 19354 3103 1 5 . 1 1 63 63 LYS HA H 63 4.168 4.168 4.081 0.087 19354 3104 1 5 . 1 1 63 63 LYS C C 63 179.458 179.458 178.708 0.750 19354 3105 1 5 . 1 1 63 63 LYS CA C 63 55.698 55.698 59.030 -3.332 19354 3106 1 5 . 1 1 63 63 LYS CB C 63 31.082 31.082 32.424 -1.342 19354 3107 1 5 . 1 1 63 63 LYS H H 63 7.748 7.748 7.683 0.065 19354 3108 1 5 . 1 1 64 64 LEU N N 64 120.255 120.255 119.418 0.837 19354 3109 1 5 . 1 1 64 64 LEU HA H 64 3.688 3.688 4.006 -0.318 19354 3110 1 5 . 1 1 64 64 LEU C C 64 178.732 178.732 178.913 -0.181 19354 3111 1 5 . 1 1 64 64 LEU CA C 64 57.722 57.722 58.483 -0.761 19354 3112 1 5 . 1 1 64 64 LEU CB C 64 41.236 41.236 41.029 0.207 19354 3113 1 5 . 1 1 64 64 LEU H H 64 8.221 8.221 7.573 0.648 19354 3114 1 5 . 1 1 65 65 ASN N N 65 113.630 113.630 117.251 -3.621 19354 3115 1 5 . 1 1 65 65 ASN HA H 65 4.580 4.580 4.498 0.082 19354 3116 1 5 . 1 1 65 65 ASN C C 65 178.394 178.394 177.630 0.764 19354 3117 1 5 . 1 1 65 65 ASN CA C 65 55.628 55.628 56.585 -0.957 19354 3118 1 5 . 1 1 65 65 ASN CB C 65 38.269 38.269 38.208 0.061 19354 3119 1 5 . 1 1 65 65 ASN H H 65 7.482 7.482 8.006 -0.524 19354 3120 1 5 . 1 1 66 66 ASP N N 66 120.683 120.683 120.165 0.518 19354 3121 1 5 . 1 1 66 66 ASP HA H 66 4.482 4.482 4.453 0.029 19354 3122 1 5 . 1 1 66 66 ASP C C 66 179.095 179.095 178.888 0.207 19354 3123 1 5 . 1 1 66 66 ASP CA C 66 56.623 56.623 57.572 -0.949 19354 3124 1 5 . 1 1 66 66 ASP CB C 66 39.883 39.883 41.173 -1.290 19354 3125 1 5 . 1 1 66 66 ASP H H 66 7.834 7.834 8.028 -0.194 19354 3126 1 5 . 1 1 67 67 TYR N N 67 116.512 116.512 119.802 -3.290 19354 3127 1 5 . 1 1 67 67 TYR HA H 67 3.984 3.984 4.313 -0.329 19354 3128 1 5 . 1 1 67 67 TYR C C 67 176.554 176.554 177.711 -1.157 19354 3129 1 5 . 1 1 67 67 TYR CA C 67 62.142 62.142 60.254 1.889 19354 3130 1 5 . 1 1 67 67 TYR CB C 67 37.436 37.436 38.270 -0.834 19354 3131 1 5 . 1 1 67 67 TYR H H 67 8.132 8.132 7.806 0.326 19354 3132 1 5 . 1 1 68 68 TYR N N 68 118.786 118.786 120.509 -1.723 19354 3133 1 5 . 1 1 68 68 TYR HA H 68 3.632 3.632 3.211 0.421 19354 3134 1 5 . 1 1 68 68 TYR C C 68 177.915 177.915 177.715 0.200 19354 3135 1 5 . 1 1 68 68 TYR CA C 68 61.395 61.395 61.861 -0.466 19354 3136 1 5 . 1 1 68 68 TYR CB C 68 37.345 37.345 37.228 0.117 19354 3137 1 5 . 1 1 68 68 TYR H H 68 7.558 7.558 8.202 -0.644 19354 3138 1 5 . 1 1 69 69 ALA N N 69 120.715 120.715 121.492 -0.777 19354 3139 1 5 . 1 1 69 69 ALA HA H 69 3.935 3.935 3.936 -0.001 19354 3140 1 5 . 1 1 69 69 ALA C C 69 179.390 179.390 178.974 0.416 19354 3141 1 5 . 1 1 69 69 ALA CA C 69 54.015 54.015 54.690 -0.675 19354 3142 1 5 . 1 1 69 69 ALA CB C 69 18.529 18.529 18.217 0.312 19354 3143 1 5 . 1 1 69 69 ALA H H 69 7.453 7.453 7.846 -0.393 19354 3144 1 5 . 1 1 70 70 LEU N N 70 117.212 117.212 119.310 -2.098 19354 3145 1 5 . 1 1 70 70 LEU HA H 70 3.765 3.765 4.021 -0.256 19354 3146 1 5 . 1 1 70 70 LEU C C 70 177.280 177.280 178.036 -0.756 19354 3147 1 5 . 1 1 70 70 LEU CA C 70 56.634 56.634 56.855 -0.221 19354 3148 1 5 . 1 1 70 70 LEU CB C 70 41.045 41.045 41.902 -0.857 19354 3149 1 5 . 1 1 70 70 LEU H H 70 7.764 7.764 8.155 -0.391 19354 3150 1 5 . 1 1 71 71 LYS N N 71 118.756 118.756 118.879 -0.123 19354 3151 1 5 . 1 1 71 71 LYS HA H 71 3.039 3.039 3.455 -0.416 19354 3152 1 5 . 1 1 71 71 LYS C C 71 177.121 177.121 177.809 -0.688 19354 3153 1 5 . 1 1 71 71 LYS CA C 71 58.865 58.865 58.757 0.108 19354 3154 1 5 . 1 1 71 71 LYS CB C 71 31.247 31.247 30.921 0.326 19354 3155 1 5 . 1 1 71 71 LYS H H 71 7.001 7.001 8.015 -1.014 19354 3156 1 5 . 1 1 72 72 HIS N N 72 113.331 113.331 117.979 -4.648 19354 3157 1 5 . 1 1 72 72 HIS HA H 72 4.304 4.304 4.299 0.005 19354 3158 1 5 . 1 1 72 72 HIS C C 72 174.232 174.232 176.211 -1.979 19354 3159 1 5 . 1 1 72 72 HIS CA C 72 57.245 57.245 58.764 -1.519 19354 3160 1 5 . 1 1 72 72 HIS CB C 72 30.221 30.221 30.163 0.058 19354 3161 1 5 . 1 1 72 72 HIS H H 72 6.973 6.973 7.582 -0.609 19354 3162 1 5 . 1 1 73 73 VAL N N 73 121.486 121.486 120.607 0.879 19354 3163 1 5 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.497 0.034 19354 3164 1 5 . 1 1 73 73 VAL CA C 73 59.159 59.159 58.814 0.345 19354 3165 1 5 . 1 1 73 73 VAL CB C 73 30.604 30.604 32.012 -1.408 19354 3166 1 5 . 1 1 73 73 VAL H H 73 7.821 7.821 8.063 -0.242 19354 3167 1 5 . 1 1 74 74 PRO HA H 74 4.070 4.070 4.633 -0.563 19354 3168 1 5 . 1 1 74 74 PRO CA C 74 66.637 66.637 65.078 1.560 19354 3169 1 5 . 1 1 74 74 PRO CB C 74 32.212 32.212 32.185 0.027 19354 3170 1 5 . 1 1 75 75 LYS N N 75 116.832 116.832 118.393 -1.561 19354 3171 1 5 . 1 1 75 75 LYS HA H 75 4.099 4.099 4.148 -0.049 19354 3172 1 5 . 1 1 75 75 LYS C C 75 180.048 180.048 177.357 2.691 19354 3173 1 5 . 1 1 75 75 LYS CA C 75 59.398 59.398 59.032 0.366 19354 3174 1 5 . 1 1 75 75 LYS CB C 75 31.296 31.296 31.455 -0.159 19354 3175 1 5 . 1 1 75 75 LYS H H 75 9.234 9.234 8.713 0.521 19354 3176 1 5 . 1 1 76 76 CYS N N 76 116.333 116.333 117.355 -1.022 19354 3177 1 5 . 1 1 76 76 CYS HA H 76 4.320 4.320 4.714 -0.394 19354 3178 1 5 . 1 1 76 76 CYS C C 76 175.012 175.012 175.830 -0.818 19354 3179 1 5 . 1 1 76 76 CYS CA C 76 58.297 58.297 59.813 -1.516 19354 3180 1 5 . 1 1 76 76 CYS CB C 76 38.803 38.803 28.728 10.075 19354 3181 1 5 . 1 1 76 76 CYS H H 76 7.496 7.496 7.663 -0.167 19354 3182 1 5 . 1 1 77 77 TRP N N 77 119.987 119.987 122.978 -2.991 19354 3183 1 5 . 1 1 77 77 TRP HA H 77 4.452 4.452 4.297 0.155 19354 3184 1 5 . 1 1 77 77 TRP C C 77 177.462 177.462 177.842 -0.380 19354 3185 1 5 . 1 1 77 77 TRP CA C 77 58.821 58.821 60.183 -1.362 19354 3186 1 5 . 1 1 77 77 TRP CB C 77 30.425 30.425 29.352 1.073 19354 3187 1 5 . 1 1 77 77 TRP H H 77 8.254 8.254 8.807 -0.553 19354 3188 1 5 . 1 1 78 78 ALA N N 78 116.093 116.093 119.527 -3.434 19354 3189 1 5 . 1 1 78 78 ALA HA H 78 3.736 3.736 3.679 0.057 19354 3190 1 5 . 1 1 78 78 ALA C C 78 178.845 178.845 178.547 0.298 19354 3191 1 5 . 1 1 78 78 ALA CA C 78 54.188 54.188 53.700 0.488 19354 3192 1 5 . 1 1 78 78 ALA CB C 78 18.323 18.323 17.876 0.447 19354 3193 1 5 . 1 1 78 78 ALA H H 78 7.968 7.968 7.850 0.118 19354 3194 1 5 . 1 1 79 79 ALA N N 79 116.351 116.351 119.702 -3.351 19354 3195 1 5 . 1 1 79 79 ALA HA H 79 4.147 4.147 4.223 -0.076 19354 3196 1 5 . 1 1 79 79 ALA C C 79 178.414 178.414 177.417 0.997 19354 3197 1 5 . 1 1 79 79 ALA CA C 79 53.243 53.243 53.556 -0.313 19354 3198 1 5 . 1 1 79 79 ALA CB C 79 19.832 19.832 19.180 0.652 19354 3199 1 5 . 1 1 79 79 ALA H H 79 6.929 6.929 7.346 -0.417 19354 3200 1 5 . 1 1 80 80 ILE N N 80 115.150 115.150 116.962 -1.812 19354 3201 1 5 . 1 1 80 80 ILE HA H 80 4.218 4.218 4.231 -0.013 19354 3202 1 5 . 1 1 80 80 ILE C C 80 176.350 176.350 175.980 0.370 19354 3203 1 5 . 1 1 80 80 ILE CA C 80 62.069 62.069 59.757 2.312 19354 3204 1 5 . 1 1 80 80 ILE CB C 80 39.375 39.375 38.566 0.809 19354 3205 1 5 . 1 1 80 80 ILE H H 80 8.695 8.695 7.312 1.383 19354 3206 1 5 . 1 1 81 81 GLN N N 81 122.564 122.564 121.841 0.723 19354 3207 1 5 . 1 1 81 81 GLN HA H 81 3.332 3.332 3.892 -0.560 19354 3208 1 5 . 1 1 81 81 GLN C C 81 173.470 173.470 175.083 -1.613 19354 3209 1 5 . 1 1 81 81 GLN CA C 81 61.829 61.829 61.349 0.480 19354 3210 1 5 . 1 1 81 81 GLN CB C 81 25.973 25.973 27.040 -1.067 19354 3211 1 5 . 1 1 81 81 GLN H H 81 7.315 7.315 7.357 -0.042 19354 3212 1 5 . 1 1 82 82 PRO HA H 82 4.076 4.076 4.163 -0.087 19354 3213 1 5 . 1 1 82 82 PRO CA C 82 65.894 65.894 64.844 1.050 19354 3214 1 5 . 1 1 82 82 PRO CB C 82 30.481 30.481 31.480 -0.999 19354 3215 1 5 . 1 1 83 83 PHE N N 83 119.137 119.137 118.987 0.150 19354 3216 1 5 . 1 1 83 83 PHE HA H 83 4.289 4.289 4.351 -0.062 19354 3217 1 5 . 1 1 83 83 PHE C C 83 175.919 175.919 175.775 0.144 19354 3218 1 5 . 1 1 83 83 PHE CA C 83 59.712 59.712 56.693 3.019 19354 3219 1 5 . 1 1 83 83 PHE CB C 83 39.329 39.329 38.490 0.839 19354 3220 1 5 . 1 1 83 83 PHE H H 83 6.892 6.892 7.703 -0.811 19354 3221 1 5 . 1 1 84 84 LEU N N 84 116.693 116.693 119.655 -2.962 19354 3222 1 5 . 1 1 84 84 LEU HA H 84 3.611 3.611 3.210 0.401 19354 3223 1 5 . 1 1 84 84 LEU C C 84 180.297 180.297 177.399 2.898 19354 3224 1 5 . 1 1 84 84 LEU CA C 84 57.952 57.952 57.227 0.725 19354 3225 1 5 . 1 1 84 84 LEU CB C 84 41.645 41.645 40.550 1.095 19354 3226 1 5 . 1 1 84 84 LEU H H 84 8.589 8.589 7.743 0.846 19354 3227 1 5 . 1 1 85 85 CYS N N 85 115.085 115.085 114.920 0.165 19354 3228 1 5 . 1 1 85 85 CYS HA H 85 4.127 4.127 4.338 -0.211 19354 3229 1 5 . 1 1 85 85 CYS C C 85 175.556 175.556 176.203 -0.647 19354 3230 1 5 . 1 1 85 85 CYS CA C 85 57.678 57.678 60.228 -2.550 19354 3231 1 5 . 1 1 85 85 CYS CB C 85 39.396 39.396 27.259 12.137 19354 3232 1 5 . 1 1 85 85 CYS H H 85 8.001 8.001 7.201 0.800 19354 3233 1 5 . 1 1 86 86 ALA N N 86 121.743 121.743 121.619 0.124 19354 3234 1 5 . 1 1 86 86 ALA HA H 86 3.922 3.922 4.360 -0.438 19354 3235 1 5 . 1 1 86 86 ALA C C 86 177.745 177.745 177.242 0.503 19354 3236 1 5 . 1 1 86 86 ALA CA C 86 54.306 54.306 53.710 0.596 19354 3237 1 5 . 1 1 86 86 ALA CB C 86 18.778 18.778 18.524 0.254 19354 3238 1 5 . 1 1 86 86 ALA H H 86 7.671 7.671 7.563 0.108 19354 3239 1 5 . 1 1 87 87 VAL N N 87 115.667 115.667 116.202 -0.535 19354 3240 1 5 . 1 1 87 87 VAL HA H 87 3.735 3.735 3.603 0.132 19354 3241 1 5 . 1 1 87 87 VAL C C 87 175.806 175.806 174.991 0.815 19354 3242 1 5 . 1 1 87 87 VAL CA C 87 64.622 64.622 62.676 1.946 19354 3243 1 5 . 1 1 87 87 VAL CB C 87 32.936 32.936 31.747 1.189 19354 3244 1 5 . 1 1 87 87 VAL H H 87 7.460 7.460 7.179 0.281 19354 3245 1 5 . 1 1 88 88 PHE N N 88 115.306 115.306 116.068 -0.762 19354 3246 1 5 . 1 1 88 88 PHE HA H 88 4.048 4.048 4.583 -0.535 19354 3247 1 5 . 1 1 88 88 PHE C C 88 176.192 176.192 175.342 0.850 19354 3248 1 5 . 1 1 88 88 PHE CA C 88 60.420 60.420 57.875 2.545 19354 3249 1 5 . 1 1 88 88 PHE CB C 88 40.182 40.182 40.390 -0.208 19354 3250 1 5 . 1 1 88 88 PHE H H 88 8.930 8.930 6.980 1.950 19354 3251 1 5 . 1 1 89 89 LYS N N 89 115.470 115.470 119.675 -4.205 19354 3252 1 5 . 1 1 89 89 LYS HA H 89 4.816 4.816 4.837 -0.021 19354 3253 1 5 . 1 1 89 89 LYS C C 89 184.176 184.176 174.076 10.100 19354 3254 1 5 . 1 1 89 89 LYS CA C 89 53.428 53.428 53.602 -0.174 19354 3255 1 5 . 1 1 89 89 LYS CB C 89 33.274 33.274 32.474 0.800 19354 3256 1 5 . 1 1 89 89 LYS H H 89 7.802 7.802 7.613 0.189 19354 3257 1 5 . 1 1 90 90 PRO HA H 90 4.250 4.250 4.315 -0.065 19354 3258 1 5 . 1 1 90 90 PRO CA C 90 62.682 62.682 62.432 0.250 19354 3259 1 5 . 1 1 90 90 PRO CB C 90 32.358 32.358 32.517 -0.159 19354 3260 1 5 . 1 1 91 91 LYS N N 91 122.391 122.391 121.002 1.389 19354 3261 1 5 . 1 1 91 91 LYS HA H 91 3.039 3.039 3.178 -0.139 19354 3262 1 5 . 1 1 91 91 LYS C C 91 173.356 173.356 175.165 -1.809 19354 3263 1 5 . 1 1 91 91 LYS CA C 91 58.027 58.027 55.441 2.586 19354 3264 1 5 . 1 1 91 91 LYS CB C 91 31.285 31.285 32.693 -1.408 19354 3265 1 5 . 1 1 91 91 LYS H H 91 8.537 8.537 8.184 0.353 19354 3266 1 5 . 1 1 92 92 CYS N N 92 127.562 127.562 126.709 0.853 19354 3267 1 5 . 1 1 92 92 CYS HA H 92 5.391 5.391 5.153 0.238 19354 3268 1 5 . 1 1 92 92 CYS C C 92 171.655 171.655 173.253 -1.598 19354 3269 1 5 . 1 1 92 92 CYS CA C 92 53.804 53.804 57.230 -3.426 19354 3270 1 5 . 1 1 92 92 CYS CB C 92 41.219 41.219 28.389 12.830 19354 3271 1 5 . 1 1 92 92 CYS H H 92 7.037 7.037 8.557 -1.520 19354 3272 1 5 . 1 1 93 93 GLU N N 93 124.483 124.483 126.408 -1.925 19354 3273 1 5 . 1 1 93 93 GLU HA H 93 4.492 4.492 4.692 -0.200 19354 3274 1 5 . 1 1 93 93 GLU C C 93 173.371 173.371 174.227 -0.856 19354 3275 1 5 . 1 1 93 93 GLU CA C 93 54.874 54.874 55.232 -0.358 19354 3276 1 5 . 1 1 93 93 GLU CB C 93 34.630 34.630 32.585 2.045 19354 3277 1 5 . 1 1 93 93 GLU H H 93 9.401 9.401 8.787 0.614 19354 3278 1 5 . 1 1 94 94 LYS N N 94 122.694 122.694 120.439 2.255 19354 3279 1 5 . 1 1 94 94 LYS HA H 94 4.581 4.581 4.700 -0.119 19354 3280 1 5 . 1 1 94 94 LYS C C 94 176.509 176.509 176.322 0.187 19354 3281 1 5 . 1 1 94 94 LYS CA C 94 55.856 55.856 55.458 0.398 19354 3282 1 5 . 1 1 94 94 LYS CB C 94 31.809 31.809 33.057 -1.248 19354 3283 1 5 . 1 1 94 94 LYS H H 94 8.526 8.526 8.510 0.016 19354 3284 1 5 . 1 1 95 95 ILE N N 95 128.382 128.382 126.906 1.476 19354 3285 1 5 . 1 1 95 95 ILE HA H 95 4.049 4.049 4.117 -0.068 19354 3286 1 5 . 1 1 95 95 ILE C C 95 176.337 176.337 176.260 0.077 19354 3287 1 5 . 1 1 95 95 ILE CA C 95 60.847 60.847 60.473 0.374 19354 3288 1 5 . 1 1 95 95 ILE CB C 95 39.625 39.625 37.757 1.868 19354 3289 1 5 . 1 1 95 95 ILE H H 95 9.001 9.001 8.639 0.362 19354 3290 1 5 . 1 1 96 96 ASN N N 96 127.596 127.596 127.571 0.025 19354 3291 1 5 . 1 1 96 96 ASN HA H 96 4.212 4.212 4.433 -0.221 19354 3292 1 5 . 1 1 96 96 ASN C C 96 175.496 175.496 175.165 0.331 19354 3293 1 5 . 1 1 96 96 ASN CA C 96 53.970 53.970 53.785 0.185 19354 3294 1 5 . 1 1 96 96 ASN CB C 96 37.238 37.238 37.995 -0.757 19354 3295 1 5 . 1 1 96 96 ASN H H 96 9.474 9.474 9.323 0.151 19354 3296 1 5 . 1 1 97 97 GLY N N 97 101.656 101.656 102.872 -1.216 19354 3297 1 5 . 1 1 97 97 GLY C C 97 173.651 173.651 173.485 0.166 19354 3298 1 5 . 1 1 97 97 GLY CA C 97 45.167 45.167 44.826 0.341 19354 3299 1 5 . 1 1 97 97 GLY H H 97 8.476 8.476 8.066 0.410 19354 3300 1 5 . 1 1 98 98 GLU N N 98 120.042 120.042 120.236 -0.194 19354 3301 1 5 . 1 1 98 98 GLU HA H 98 4.587 4.587 4.477 0.110 19354 3302 1 5 . 1 1 98 98 GLU C C 98 174.422 174.422 175.034 -0.612 19354 3303 1 5 . 1 1 98 98 GLU CA C 98 54.294 54.294 54.428 -0.134 19354 3304 1 5 . 1 1 98 98 GLU CB C 98 32.934 32.934 31.584 1.350 19354 3305 1 5 . 1 1 98 98 GLU H H 98 7.591 7.591 7.587 0.004 19354 3306 1 5 . 1 1 99 99 ASP N N 99 126.603 126.603 127.727 -1.124 19354 3307 1 5 . 1 1 99 99 ASP HA H 99 4.340 4.340 4.646 -0.306 19354 3308 1 5 . 1 1 99 99 ASP C C 99 176.214 176.214 175.589 0.625 19354 3309 1 5 . 1 1 99 99 ASP CA C 99 55.408 55.408 55.861 -0.453 19354 3310 1 5 . 1 1 99 99 ASP CB C 99 41.629 41.629 40.764 0.866 19354 3311 1 5 . 1 1 99 99 ASP H H 99 8.489 8.489 8.790 -0.301 19354 3312 1 5 . 1 1 100 100 MET N N 100 121.977 121.977 121.740 0.237 19354 3313 1 5 . 1 1 100 100 MET HA H 100 4.911 4.911 5.405 -0.494 19354 3314 1 5 . 1 1 100 100 MET C C 100 172.900 172.900 174.549 -1.649 19354 3315 1 5 . 1 1 100 100 MET CA C 100 53.649 53.649 53.816 -0.167 19354 3316 1 5 . 1 1 100 100 MET CB C 100 35.529 35.529 37.251 -1.722 19354 3317 1 5 . 1 1 100 100 MET H H 100 8.853 8.853 9.047 -0.194 19354 3318 1 5 . 1 1 101 101 VAL N N 101 119.963 119.963 113.220 6.743 19354 3319 1 5 . 1 1 101 101 VAL HA H 101 4.814 4.814 4.485 0.329 19354 3320 1 5 . 1 1 101 101 VAL C C 101 172.991 172.991 174.116 -1.125 19354 3321 1 5 . 1 1 101 101 VAL CA C 101 58.203 58.203 59.736 -1.533 19354 3322 1 5 . 1 1 101 101 VAL CB C 101 34.629 34.629 34.555 0.074 19354 3323 1 5 . 1 1 101 101 VAL H H 101 8.964 8.964 8.565 0.399 19354 3324 1 5 . 1 1 102 102 TYR N N 102 125.849 125.849 122.871 2.978 19354 3325 1 5 . 1 1 102 102 TYR HA H 102 4.444 4.444 4.899 -0.455 19354 3326 1 5 . 1 1 102 102 TYR C C 102 176.464 176.464 176.203 0.261 19354 3327 1 5 . 1 1 102 102 TYR CA C 102 57.549 57.549 57.620 -0.071 19354 3328 1 5 . 1 1 102 102 TYR CB C 102 38.274 38.274 40.475 -2.201 19354 3329 1 5 . 1 1 102 102 TYR H H 102 8.137 8.137 8.406 -0.269 19354 3330 1 5 . 1 1 103 103 LEU N N 103 123.151 123.151 120.590 2.561 19354 3331 1 5 . 1 1 103 103 LEU HA H 103 4.683 4.683 4.995 -0.312 19354 3332 1 5 . 1 1 103 103 LEU CA C 103 52.426 52.426 51.457 0.969 19354 3333 1 5 . 1 1 103 103 LEU CB C 103 42.038 42.038 41.941 0.097 19354 3334 1 5 . 1 1 103 103 LEU H H 103 8.308 8.308 8.200 0.108 19354 3335 1 5 . 1 1 104 104 PRO HA H 104 4.678 4.678 4.530 0.148 19354 3336 1 5 . 1 1 104 104 PRO CA C 104 61.704 61.704 62.640 -0.936 19354 3337 1 5 . 1 1 104 104 PRO CB C 104 32.020 32.020 32.726 -0.706 19354 3338 1 5 . 1 1 105 105 SER N N 105 113.955 113.955 116.821 -2.866 19354 3339 1 5 . 1 1 105 105 SER HA H 105 4.632 4.632 4.578 0.054 19354 3340 1 5 . 1 1 105 105 SER C C 105 175.473 175.473 176.496 -1.023 19354 3341 1 5 . 1 1 105 105 SER CA C 105 56.324 56.324 57.590 -1.266 19354 3342 1 5 . 1 1 105 105 SER CB C 105 65.193 65.193 64.812 0.381 19354 3343 1 5 . 1 1 105 105 SER H H 105 7.668 7.668 8.403 -0.735 19354 3344 1 5 . 1 1 106 106 TYR N N 106 122.582 122.582 121.759 0.823 19354 3345 1 5 . 1 1 106 106 TYR HA H 106 3.724 3.724 4.046 -0.322 19354 3346 1 5 . 1 1 106 106 TYR C C 106 178.116 178.116 177.214 0.902 19354 3347 1 5 . 1 1 106 106 TYR CA C 106 62.057 62.057 60.819 1.238 19354 3348 1 5 . 1 1 106 106 TYR CB C 106 37.925 37.925 37.240 0.685 19354 3349 1 5 . 1 1 106 106 TYR H H 106 8.492 8.492 9.120 -0.628 19354 3350 1 5 . 1 1 107 107 GLU N N 107 118.362 118.362 119.258 -0.896 19354 3351 1 5 . 1 1 107 107 GLU HA H 107 3.846 3.846 3.473 0.373 19354 3352 1 5 . 1 1 107 107 GLU C C 107 177.421 177.421 178.637 -1.216 19354 3353 1 5 . 1 1 107 107 GLU CA C 107 58.867 58.867 59.065 -0.198 19354 3354 1 5 . 1 1 107 107 GLU CB C 107 28.969 28.969 28.587 0.382 19354 3355 1 5 . 1 1 107 107 GLU H H 107 8.503 8.503 7.961 0.542 19354 3356 1 5 . 1 1 108 108 MET N N 108 116.221 116.221 118.215 -1.994 19354 3357 1 5 . 1 1 108 108 MET HA H 108 3.708 3.708 3.935 -0.227 19354 3358 1 5 . 1 1 108 108 MET C C 108 176.804 176.804 178.251 -1.447 19354 3359 1 5 . 1 1 108 108 MET CA C 108 58.648 58.648 58.475 0.173 19354 3360 1 5 . 1 1 108 108 MET CB C 108 33.058 33.058 32.154 0.904 19354 3361 1 5 . 1 1 108 108 MET H H 108 7.409 7.409 7.798 -0.389 19354 3362 1 5 . 1 1 109 109 CYS N N 109 114.131 114.131 116.668 -2.537 19354 3363 1 5 . 1 1 109 109 CYS HA H 109 3.857 3.857 3.457 0.400 19354 3364 1 5 . 1 1 109 109 CYS C C 109 178.047 178.047 176.945 1.102 19354 3365 1 5 . 1 1 109 109 CYS CA C 109 58.737 58.737 60.079 -1.342 19354 3366 1 5 . 1 1 109 109 CYS CB C 109 35.006 35.006 25.989 9.017 19354 3367 1 5 . 1 1 109 109 CYS H H 109 6.817 6.817 7.568 -0.751 19354 3368 1 5 . 1 1 110 110 ARG N N 110 124.629 124.629 120.506 4.123 19354 3369 1 5 . 1 1 110 110 ARG HA H 110 3.376 3.376 4.009 -0.633 19354 3370 1 5 . 1 1 110 110 ARG C C 110 179.435 179.435 178.411 1.024 19354 3371 1 5 . 1 1 110 110 ARG CA C 110 59.641 59.641 58.008 1.633 19354 3372 1 5 . 1 1 110 110 ARG CB C 110 29.273 29.273 29.091 0.182 19354 3373 1 5 . 1 1 110 110 ARG H H 110 8.885 8.885 7.703 1.182 19354 3374 1 5 . 1 1 111 111 ILE N N 111 113.379 113.379 117.015 -3.636 19354 3375 1 5 . 1 1 111 111 ILE HA H 111 3.796 3.796 3.797 -0.001 19354 3376 1 5 . 1 1 111 111 ILE C C 111 175.624 175.624 177.133 -1.509 19354 3377 1 5 . 1 1 111 111 ILE CA C 111 63.811 63.811 64.250 -0.439 19354 3378 1 5 . 1 1 111 111 ILE CB C 111 38.229 38.229 36.898 1.331 19354 3379 1 5 . 1 1 111 111 ILE H H 111 7.422 7.422 7.754 -0.332 19354 3380 1 5 . 1 1 112 112 THR N N 112 109.403 109.403 109.133 0.270 19354 3381 1 5 . 1 1 112 112 THR HA H 112 3.889 3.889 4.195 -0.306 19354 3382 1 5 . 1 1 112 112 THR C C 112 175.798 175.798 176.232 -0.434 19354 3383 1 5 . 1 1 112 112 THR CA C 112 62.856 62.856 64.490 -1.635 19354 3384 1 5 . 1 1 112 112 THR CB C 112 70.168 70.168 68.962 1.206 19354 3385 1 5 . 1 1 112 112 THR H H 112 7.574 7.574 7.433 0.141 19354 3386 1 5 . 1 1 113 113 MET N N 113 119.638 119.638 120.718 -1.080 19354 3387 1 5 . 1 1 113 113 MET HA H 113 3.541 3.541 4.413 -0.872 19354 3388 1 5 . 1 1 113 113 MET C C 113 177.174 177.174 177.774 -0.600 19354 3389 1 5 . 1 1 113 113 MET CA C 113 60.235 60.235 58.900 1.335 19354 3390 1 5 . 1 1 113 113 MET CB C 113 32.338 32.338 32.336 0.002 19354 3391 1 5 . 1 1 113 113 MET H H 113 7.152 7.152 7.253 -0.101 19354 3392 1 5 . 1 1 114 114 GLU N N 114 117.224 117.224 118.801 -1.577 19354 3393 1 5 . 1 1 114 114 GLU HA H 114 4.114 4.114 4.119 -0.005 19354 3394 1 5 . 1 1 114 114 GLU CA C 114 60.422 60.422 60.344 0.078 19354 3395 1 5 . 1 1 114 114 GLU CB C 114 26.103 26.103 28.556 -2.454 19354 3396 1 5 . 1 1 114 114 GLU H H 114 8.580 8.580 7.738 0.842 19354 3397 1 5 . 1 1 115 115 PRO HA H 115 4.304 4.304 4.378 -0.074 19354 3398 1 5 . 1 1 115 115 PRO CA C 115 65.128 65.128 64.246 0.882 19354 3399 1 5 . 1 1 115 115 PRO CB C 115 31.141 31.141 31.976 -0.834 19354 3400 1 5 . 1 1 116 116 CYS N N 116 111.879 111.879 121.254 -9.375 19354 3401 1 5 . 1 1 116 116 CYS HA H 116 4.679 4.679 4.828 -0.149 19354 3402 1 5 . 1 1 116 116 CYS C C 116 174.808 174.808 175.308 -0.500 19354 3403 1 5 . 1 1 116 116 CYS CA C 116 54.060 54.060 57.698 -3.638 19354 3404 1 5 . 1 1 116 116 CYS CB C 116 42.879 42.879 26.040 16.839 19354 3405 1 5 . 1 1 116 116 CYS H H 116 7.208 7.208 8.142 -0.934 19354 3406 1 5 . 1 1 117 117 ARG N N 117 123.750 123.750 124.615 -0.865 19354 3407 1 5 . 1 1 117 117 ARG HA H 117 3.161 3.161 4.299 -1.138 19354 3408 1 5 . 1 1 117 117 ARG C C 117 178.210 178.210 176.916 1.294 19354 3409 1 5 . 1 1 117 117 ARG CA C 117 59.743 59.743 58.638 1.105 19354 3410 1 5 . 1 1 117 117 ARG CB C 117 29.486 29.486 30.511 -1.025 19354 3411 1 5 . 1 1 117 117 ARG H H 117 7.436 7.436 8.317 -0.881 19354 3412 1 5 . 1 1 118 118 ILE N N 118 116.384 116.384 118.678 -2.294 19354 3413 1 5 . 1 1 118 118 ILE HA H 118 4.000 4.000 3.791 0.209 19354 3414 1 5 . 1 1 118 118 ILE C C 118 176.577 176.577 176.475 0.102 19354 3415 1 5 . 1 1 118 118 ILE CA C 118 63.166 63.166 62.960 0.206 19354 3416 1 5 . 1 1 118 118 ILE CB C 118 37.781 37.781 36.718 1.063 19354 3417 1 5 . 1 1 118 118 ILE H H 118 8.130 8.130 8.131 -0.001 19354 3418 1 5 . 1 1 119 119 LEU N N 119 119.738 119.738 118.586 1.152 19354 3419 1 5 . 1 1 119 119 LEU HA H 119 4.540 4.540 4.296 0.244 19354 3420 1 5 . 1 1 119 119 LEU C C 119 178.346 178.346 177.320 1.026 19354 3421 1 5 . 1 1 119 119 LEU CA C 119 54.697 54.697 52.853 1.844 19354 3422 1 5 . 1 1 119 119 LEU CB C 119 42.872 42.872 39.569 3.303 19354 3423 1 5 . 1 1 119 119 LEU H H 119 7.771 7.771 7.436 0.335 19354 3424 1 5 . 1 1 120 120 TYR N N 120 121.945 121.945 116.500 5.445 19354 3425 1 5 . 1 1 120 120 TYR HA H 120 4.125 4.125 4.093 0.032 19354 3426 1 5 . 1 1 120 120 TYR C C 120 176.169 176.169 175.848 0.321 19354 3427 1 5 . 1 1 120 120 TYR CA C 120 59.682 59.682 59.508 0.174 19354 3428 1 5 . 1 1 120 120 TYR CB C 120 37.180 37.180 37.840 -0.659 19354 3429 1 5 . 1 1 120 120 TYR H H 120 7.886 7.886 7.347 0.539 19354 3430 1 5 . 1 1 121 121 ASN N N 121 115.992 115.992 110.181 5.811 19354 3431 1 5 . 1 1 121 121 ASN HA H 121 4.885 4.885 4.711 0.174 19354 3432 1 5 . 1 1 121 121 ASN C C 121 175.612 175.612 175.076 0.536 19354 3433 1 5 . 1 1 121 121 ASN CA C 121 52.670 52.670 53.240 -0.570 19354 3434 1 5 . 1 1 121 121 ASN CB C 121 38.058 38.058 38.562 -0.504 19354 3435 1 5 . 1 1 121 121 ASN H H 121 8.228 8.228 8.079 0.149 19354 3436 1 5 . 1 1 122 122 THR N N 122 109.094 109.094 117.480 -8.386 19354 3437 1 5 . 1 1 122 122 THR HA H 122 4.682 4.682 4.327 0.355 19354 3438 1 5 . 1 1 122 122 THR C C 122 175.844 175.844 175.059 0.785 19354 3439 1 5 . 1 1 122 122 THR CA C 122 61.815 61.815 62.901 -1.086 19354 3440 1 5 . 1 1 122 122 THR CB C 122 72.484 72.484 69.855 2.629 19354 3441 1 5 . 1 1 122 122 THR H H 122 7.649 7.649 8.331 -0.682 19354 3442 1 5 . 1 1 123 123 THR N N 123 112.067 112.067 118.126 -6.059 19354 3443 1 5 . 1 1 123 123 THR HA H 123 4.026 4.026 4.538 -0.512 19354 3444 1 5 . 1 1 123 123 THR C C 123 175.033 175.033 173.946 1.087 19354 3445 1 5 . 1 1 123 123 THR CA C 123 63.174 63.174 61.919 1.255 19354 3446 1 5 . 1 1 123 123 THR CB C 123 68.529 68.529 68.309 0.220 19354 3447 1 5 . 1 1 123 123 THR H H 123 8.261 8.261 8.476 -0.215 19354 3448 1 5 . 1 1 124 124 PHE N N 124 118.139 118.139 122.236 -4.097 19354 3449 1 5 . 1 1 124 124 PHE HA H 124 4.153 4.153 4.462 -0.309 19354 3450 1 5 . 1 1 124 124 PHE C C 124 175.398 175.398 175.164 0.234 19354 3451 1 5 . 1 1 124 124 PHE CA C 124 59.890 59.890 58.708 1.182 19354 3452 1 5 . 1 1 124 124 PHE CB C 124 39.668 39.668 40.311 -0.643 19354 3453 1 5 . 1 1 124 124 PHE H H 124 7.764 7.764 7.528 0.236 19354 3454 1 5 . 1 1 125 125 PHE N N 125 118.447 118.447 117.887 0.560 19354 3455 1 5 . 1 1 125 125 PHE HA H 125 4.662 4.662 5.057 -0.395 19354 3456 1 5 . 1 1 125 125 PHE CA C 125 56.245 56.245 54.833 1.412 19354 3457 1 5 . 1 1 125 125 PHE CB C 125 38.810 38.810 39.062 -0.252 19354 3458 1 5 . 1 1 125 125 PHE H H 125 7.670 7.670 7.900 -0.230 19354 3459 1 5 . 1 1 126 126 PRO HA H 126 4.398 4.398 4.453 -0.055 19354 3460 1 5 . 1 1 126 126 PRO CA C 126 62.432 62.432 64.514 -2.082 19354 3461 1 5 . 1 1 126 126 PRO CB C 126 32.670 32.670 32.203 0.467 19354 3462 1 5 . 1 1 127 127 LYS N N 127 118.753 118.753 120.084 -1.331 19354 3463 1 5 . 1 1 127 127 LYS HA H 127 3.580 3.580 4.377 -0.797 19354 3464 1 5 . 1 1 127 127 LYS C C 127 177.977 177.977 175.950 2.027 19354 3465 1 5 . 1 1 127 127 LYS CA C 127 60.279 60.279 56.552 3.727 19354 3466 1 5 . 1 1 127 127 LYS CB C 127 31.599 31.599 30.533 1.066 19354 3467 1 5 . 1 1 127 127 LYS H H 127 8.565 8.565 8.275 0.290 19354 3468 1 5 . 1 1 128 128 PHE N N 128 110.638 110.638 117.246 -6.608 19354 3469 1 5 . 1 1 128 128 PHE HA H 128 4.481 4.481 4.599 -0.118 19354 3470 1 5 . 1 1 128 128 PHE C C 128 173.946 173.946 173.008 0.938 19354 3471 1 5 . 1 1 128 128 PHE CA C 128 57.841 57.841 59.035 -1.194 19354 3472 1 5 . 1 1 128 128 PHE CB C 128 36.807 36.807 39.691 -2.884 19354 3473 1 5 . 1 1 128 128 PHE H H 128 6.795 6.795 8.525 -1.730 19354 3474 1 5 . 1 1 129 129 LEU N N 129 119.653 119.653 122.707 -3.054 19354 3475 1 5 . 1 1 129 129 LEU HA H 129 4.710 4.710 4.078 0.632 19354 3476 1 5 . 1 1 129 129 LEU C C 129 175.398 175.398 176.361 -0.963 19354 3477 1 5 . 1 1 129 129 LEU CA C 129 53.169 53.169 53.640 -0.471 19354 3478 1 5 . 1 1 129 129 LEU CB C 129 44.901 44.901 42.470 2.431 19354 3479 1 5 . 1 1 129 129 LEU H H 129 7.204 7.204 7.495 -0.291 19354 3480 1 5 . 1 1 130 130 ARG N N 130 116.807 116.807 120.323 -3.516 19354 3481 1 5 . 1 1 130 130 ARG HA H 130 4.328 4.328 4.139 0.189 19354 3482 1 5 . 1 1 130 130 ARG C C 130 177.099 177.099 175.036 2.063 19354 3483 1 5 . 1 1 130 130 ARG CA C 130 55.250 55.250 57.177 -1.927 19354 3484 1 5 . 1 1 130 130 ARG CB C 130 30.355 30.355 28.560 1.795 19354 3485 1 5 . 1 1 130 130 ARG H H 130 7.090 7.090 8.039 -0.949 19354 3486 1 5 . 1 1 131 131 CYS N N 131 117.271 117.271 120.932 -3.661 19354 3487 1 5 . 1 1 131 131 CYS HA H 131 4.588 4.588 4.746 -0.158 19354 3488 1 5 . 1 1 131 131 CYS C C 131 175.022 175.022 173.691 1.331 19354 3489 1 5 . 1 1 131 131 CYS CA C 131 54.449 54.449 56.955 -2.506 19354 3490 1 5 . 1 1 131 131 CYS CB C 131 34.958 34.958 31.579 3.379 19354 3491 1 5 . 1 1 131 131 CYS H H 131 8.210 8.210 8.163 0.047 19354 3492 1 5 . 1 1 132 132 ASN N N 132 120.232 120.232 118.936 1.296 19354 3493 1 5 . 1 1 132 132 ASN HA H 132 4.811 4.811 4.589 0.222 19354 3494 1 5 . 1 1 132 132 ASN C C 132 175.080 175.080 174.676 0.404 19354 3495 1 5 . 1 1 132 132 ASN CA C 132 53.188 53.188 53.687 -0.499 19354 3496 1 5 . 1 1 132 132 ASN CB C 132 40.003 40.003 38.826 1.177 19354 3497 1 5 . 1 1 132 132 ASN H H 132 7.801 7.801 8.499 -0.698 19354 3498 1 5 . 1 1 133 133 GLU N N 133 123.435 123.435 122.579 0.856 19354 3499 1 5 . 1 1 133 133 GLU HA H 133 4.225 4.225 4.258 -0.033 19354 3500 1 5 . 1 1 133 133 GLU C C 133 176.447 176.447 175.926 0.521 19354 3501 1 5 . 1 1 133 133 GLU CA C 133 57.928 57.928 56.445 1.483 19354 3502 1 5 . 1 1 133 133 GLU CB C 133 29.822 29.822 27.531 2.291 19354 3503 1 5 . 1 1 133 133 GLU H H 133 9.086 9.086 8.644 0.442 19354 3504 1 5 . 1 1 134 134 THR N N 134 113.403 113.403 111.286 2.117 19354 3505 1 5 . 1 1 134 134 THR HA H 134 3.964 3.964 3.880 0.084 19354 3506 1 5 . 1 1 134 134 THR C C 134 174.853 174.853 173.793 1.060 19354 3507 1 5 . 1 1 134 134 THR CA C 134 63.694 63.694 62.990 0.704 19354 3508 1 5 . 1 1 134 134 THR CB C 134 68.841 68.841 68.120 0.721 19354 3509 1 5 . 1 1 134 134 THR H H 134 8.067 8.067 8.165 -0.098 19354 3510 1 5 . 1 1 135 135 LEU N N 135 121.377 121.377 117.133 4.244 19354 3511 1 5 . 1 1 135 135 LEU HA H 135 3.964 3.964 4.305 -0.341 19354 3512 1 5 . 1 1 135 135 LEU C C 135 176.215 176.215 177.033 -0.818 19354 3513 1 5 . 1 1 135 135 LEU CA C 135 55.656 55.656 55.501 0.155 19354 3514 1 5 . 1 1 135 135 LEU CB C 135 42.291 42.291 42.508 -0.217 19354 3515 1 5 . 1 1 135 135 LEU H H 135 7.448 7.448 7.432 0.016 19354 3516 1 5 . 1 1 136 136 PHE N N 136 117.704 117.704 117.471 0.233 19354 3517 1 5 . 1 1 136 136 PHE HA H 136 5.202 5.202 4.906 0.296 19354 3518 1 5 . 1 1 136 136 PHE C C 136 179.412 179.412 174.646 4.766 19354 3519 1 5 . 1 1 136 136 PHE CA C 136 53.495 53.495 55.223 -1.728 19354 3520 1 5 . 1 1 136 136 PHE CB C 136 39.248 39.248 37.935 1.313 19354 3521 1 5 . 1 1 136 136 PHE H H 136 7.542 7.542 8.767 -1.225 19354 3522 1 5 . 1 1 137 137 PRO HA H 137 4.528 4.528 4.379 0.149 19354 3523 1 5 . 1 1 137 137 PRO CA C 137 62.949 62.949 64.100 -1.151 19354 3524 1 5 . 1 1 137 137 PRO CB C 137 32.242 32.242 32.126 0.116 19354 3525 1 5 . 1 1 138 138 THR N N 138 114.025 114.025 113.323 0.702 19354 3526 1 5 . 1 1 138 138 THR HA H 138 4.324 4.324 3.873 0.451 19354 3527 1 5 . 1 1 138 138 THR C C 138 174.175 174.175 174.519 -0.344 19354 3528 1 5 . 1 1 138 138 THR CA C 138 61.863 61.863 64.111 -2.248 19354 3529 1 5 . 1 1 138 138 THR CB C 138 69.742 69.742 68.789 0.953 19354 3530 1 5 . 1 1 138 138 THR H H 138 8.452 8.452 8.337 0.115 19354 3531 1 6 . 1 1 13 13 GLY N N 13 110.400 110.400 108.764 1.636 19354 3532 1 6 . 1 1 13 13 GLY C C 13 173.560 173.560 172.349 1.211 19354 3533 1 6 . 1 1 13 13 GLY CA C 13 45.111 45.111 45.452 -0.341 19354 3534 1 6 . 1 1 13 13 GLY H H 13 8.335 8.335 7.741 0.594 19354 3535 1 6 . 1 1 14 14 LEU N N 14 121.222 121.222 119.710 1.512 19354 3536 1 6 . 1 1 14 14 LEU HA H 14 4.378 4.378 4.600 -0.222 19354 3537 1 6 . 1 1 14 14 LEU C C 14 177.119 177.119 174.566 2.553 19354 3538 1 6 . 1 1 14 14 LEU CA C 14 54.838 54.838 55.083 -0.245 19354 3539 1 6 . 1 1 14 14 LEU CB C 14 42.429 42.429 46.502 -4.072 19354 3540 1 6 . 1 1 14 14 LEU H H 14 7.915 7.915 8.230 -0.315 19354 3541 1 6 . 1 1 15 15 VAL N N 15 123.222 123.222 121.564 1.658 19354 3542 1 6 . 1 1 15 15 VAL HA H 15 4.335 4.335 4.565 -0.230 19354 3543 1 6 . 1 1 15 15 VAL C C 15 175.602 175.602 173.920 1.682 19354 3544 1 6 . 1 1 15 15 VAL CA C 15 59.375 59.375 57.568 1.807 19354 3545 1 6 . 1 1 15 15 VAL CB C 15 33.197 33.197 33.589 -0.392 19354 3546 1 6 . 1 1 15 15 VAL H H 15 8.297 8.297 8.649 -0.352 19354 3547 1 6 . 1 1 16 16 PRO HA H 16 4.379 4.379 4.556 -0.177 19354 3548 1 6 . 1 1 16 16 PRO CA C 16 62.925 62.925 62.917 0.008 19354 3549 1 6 . 1 1 16 16 PRO CB C 16 32.043 32.043 30.175 1.868 19354 3550 1 6 . 1 1 17 17 ARG N N 17 122.742 122.742 123.338 -0.596 19354 3551 1 6 . 1 1 17 17 ARG HA H 17 4.219 4.219 4.565 -0.346 19354 3552 1 6 . 1 1 17 17 ARG C C 17 176.586 176.586 176.930 -0.344 19354 3553 1 6 . 1 1 17 17 ARG CA C 17 55.479 55.479 55.497 -0.018 19354 3554 1 6 . 1 1 17 17 ARG CB C 17 30.889 30.889 32.990 -2.101 19354 3555 1 6 . 1 1 17 17 ARG H H 17 8.469 8.469 7.860 0.609 19354 3556 1 6 . 1 1 18 18 GLY N N 18 111.993 111.993 110.906 1.087 19354 3557 1 6 . 1 1 18 18 GLY C C 18 174.453 174.453 174.760 -0.307 19354 3558 1 6 . 1 1 18 18 GLY CA C 18 45.670 45.670 45.660 0.010 19354 3559 1 6 . 1 1 18 18 GLY H H 18 8.538 8.538 8.555 -0.017 19354 3560 1 6 . 1 1 19 19 SER HA H 19 4.318 4.318 4.405 -0.087 19354 3561 1 6 . 1 1 19 19 SER CA C 19 58.480 58.480 57.689 0.791 19354 3562 1 6 . 1 1 19 19 SER CB C 19 63.535 63.535 65.284 -1.749 19354 3563 1 6 . 1 1 20 20 HIS N N 20 120.039 120.039 122.592 -2.553 19354 3564 1 6 . 1 1 20 20 HIS HA H 20 4.678 4.678 4.657 0.021 19354 3565 1 6 . 1 1 20 20 HIS C C 20 174.263 174.263 174.937 -0.674 19354 3566 1 6 . 1 1 20 20 HIS CA C 20 55.889 55.889 56.204 -0.315 19354 3567 1 6 . 1 1 20 20 HIS CB C 20 32.027 32.027 27.805 4.221 19354 3568 1 6 . 1 1 20 20 HIS H H 20 8.344 8.344 8.533 -0.189 19354 3569 1 6 . 1 1 21 21 MET N N 21 120.453 120.453 119.722 0.731 19354 3570 1 6 . 1 1 21 21 MET HA H 21 4.676 4.676 4.412 0.264 19354 3571 1 6 . 1 1 21 21 MET C C 21 174.808 174.808 174.721 0.087 19354 3572 1 6 . 1 1 21 21 MET CA C 21 54.232 54.232 57.735 -3.503 19354 3573 1 6 . 1 1 21 21 MET CB C 21 32.377 32.377 33.941 -1.564 19354 3574 1 6 . 1 1 21 21 MET H H 21 8.587 8.587 7.956 0.631 19354 3575 1 6 . 1 1 22 22 VAL N N 22 112.794 112.794 115.042 -2.248 19354 3576 1 6 . 1 1 22 22 VAL HA H 22 5.297 5.297 5.090 0.207 19354 3577 1 6 . 1 1 22 22 VAL C C 22 175.218 175.218 174.589 0.629 19354 3578 1 6 . 1 1 22 22 VAL CA C 22 57.885 57.885 59.503 -1.618 19354 3579 1 6 . 1 1 22 22 VAL CB C 22 35.895 35.895 34.790 1.105 19354 3580 1 6 . 1 1 22 22 VAL H H 22 7.805 7.805 7.571 0.234 19354 3581 1 6 . 1 1 23 23 ARG N N 23 117.854 117.854 122.111 -4.257 19354 3582 1 6 . 1 1 23 23 ARG HA H 23 4.578 4.578 4.670 -0.092 19354 3583 1 6 . 1 1 23 23 ARG C C 23 174.128 174.128 174.722 -0.594 19354 3584 1 6 . 1 1 23 23 ARG CA C 23 54.192 54.192 54.751 -0.559 19354 3585 1 6 . 1 1 23 23 ARG CB C 23 34.757 34.757 33.537 1.220 19354 3586 1 6 . 1 1 23 23 ARG H H 23 8.430 8.430 7.938 0.492 19354 3587 1 6 . 1 1 24 24 ARG N N 24 124.928 124.928 124.612 0.316 19354 3588 1 6 . 1 1 24 24 ARG HA H 24 4.619 4.619 4.386 0.233 19354 3589 1 6 . 1 1 24 24 ARG C C 24 176.265 176.265 175.719 0.546 19354 3590 1 6 . 1 1 24 24 ARG CA C 24 57.824 57.824 56.896 0.928 19354 3591 1 6 . 1 1 24 24 ARG CB C 24 29.913 29.913 28.564 1.349 19354 3592 1 6 . 1 1 24 24 ARG H H 24 8.569 8.569 8.758 -0.189 19354 3593 1 6 . 1 1 25 25 ALA N N 25 127.390 127.390 125.051 2.339 19354 3594 1 6 . 1 1 25 25 ALA HA H 25 4.379 4.379 4.500 -0.121 19354 3595 1 6 . 1 1 25 25 ALA C C 25 174.173 174.173 175.916 -1.743 19354 3596 1 6 . 1 1 25 25 ALA CA C 25 51.382 51.382 50.327 1.055 19354 3597 1 6 . 1 1 25 25 ALA CB C 25 23.050 23.050 21.648 1.402 19354 3598 1 6 . 1 1 25 25 ALA H H 25 8.082 8.082 7.764 0.318 19354 3599 1 6 . 1 1 26 26 ARG N N 26 116.820 116.820 119.500 -2.680 19354 3600 1 6 . 1 1 26 26 ARG HA H 26 4.692 4.692 4.139 0.553 19354 3601 1 6 . 1 1 26 26 ARG C C 26 177.847 177.847 175.376 2.471 19354 3602 1 6 . 1 1 26 26 ARG CA C 26 55.271 55.271 57.254 -1.983 19354 3603 1 6 . 1 1 26 26 ARG CB C 26 31.215 31.215 30.841 0.374 19354 3604 1 6 . 1 1 26 26 ARG H H 26 8.133 8.133 8.488 -0.355 19354 3605 1 6 . 1 1 27 27 CYS N N 27 126.567 126.567 118.652 7.915 19354 3606 1 6 . 1 1 27 27 CYS HA H 27 5.732 5.732 4.887 0.845 19354 3607 1 6 . 1 1 27 27 CYS C C 27 175.288 175.288 173.326 1.962 19354 3608 1 6 . 1 1 27 27 CYS CA C 27 51.785 51.785 57.955 -6.170 19354 3609 1 6 . 1 1 27 27 CYS CB C 27 38.246 38.246 29.396 8.850 19354 3610 1 6 . 1 1 27 27 CYS H H 27 9.709 9.709 8.235 1.474 19354 3611 1 6 . 1 1 28 28 TYR N N 28 120.309 120.309 124.053 -3.744 19354 3612 1 6 . 1 1 28 28 TYR HA H 28 5.079 5.079 5.184 -0.105 19354 3613 1 6 . 1 1 28 28 TYR CA C 28 54.951 54.951 54.148 0.803 19354 3614 1 6 . 1 1 28 28 TYR CB C 28 39.807 39.807 38.781 1.026 19354 3615 1 6 . 1 1 28 28 TYR H H 28 8.870 8.870 8.952 -0.082 19354 3616 1 6 . 1 1 29 29 PRO HA H 29 4.836 4.836 4.830 0.006 19354 3617 1 6 . 1 1 29 29 PRO CA C 29 61.773 61.773 62.632 -0.859 19354 3618 1 6 . 1 1 29 29 PRO CB C 29 31.173 31.173 32.402 -1.229 19354 3619 1 6 . 1 1 30 30 THR N N 30 115.177 115.177 120.653 -5.476 19354 3620 1 6 . 1 1 30 30 THR HA H 30 4.253 4.253 4.304 -0.051 19354 3621 1 6 . 1 1 30 30 THR C C 30 173.688 173.688 175.107 -1.419 19354 3622 1 6 . 1 1 30 30 THR CA C 30 61.324 61.324 64.295 -2.971 19354 3623 1 6 . 1 1 30 30 THR CB C 30 70.191 70.191 69.076 1.115 19354 3624 1 6 . 1 1 30 30 THR H H 30 7.978 7.978 8.836 -0.858 19354 3625 1 6 . 1 1 31 31 SER N N 31 116.822 116.822 115.354 1.468 19354 3626 1 6 . 1 1 31 31 SER HA H 31 4.702 4.702 4.733 -0.031 19354 3627 1 6 . 1 1 31 31 SER C C 31 175.079 175.079 174.383 0.696 19354 3628 1 6 . 1 1 31 31 SER CA C 31 57.057 57.057 57.096 -0.039 19354 3629 1 6 . 1 1 31 31 SER CB C 31 66.020 66.020 64.920 1.100 19354 3630 1 6 . 1 1 31 31 SER H H 31 8.451 8.451 7.866 0.585 19354 3631 1 6 . 1 1 32 32 ASN N N 32 118.803 118.803 119.877 -1.074 19354 3632 1 6 . 1 1 32 32 ASN HA H 32 4.385 4.385 4.567 -0.182 19354 3633 1 6 . 1 1 32 32 ASN C C 32 175.705 175.705 176.094 -0.389 19354 3634 1 6 . 1 1 32 32 ASN CA C 32 55.564 55.564 55.620 -0.056 19354 3635 1 6 . 1 1 32 32 ASN CB C 32 37.637 37.637 38.194 -0.557 19354 3636 1 6 . 1 1 32 32 ASN H H 32 8.802 8.802 8.823 -0.021 19354 3637 1 6 . 1 1 33 33 ALA N N 33 118.571 118.571 122.531 -3.960 19354 3638 1 6 . 1 1 33 33 ALA HA H 33 4.262 4.262 4.328 -0.066 19354 3639 1 6 . 1 1 33 33 ALA C C 33 179.229 179.229 177.117 2.112 19354 3640 1 6 . 1 1 33 33 ALA CA C 33 53.087 53.087 53.402 -0.315 19354 3641 1 6 . 1 1 33 33 ALA CB C 33 19.563 19.563 19.139 0.424 19354 3642 1 6 . 1 1 33 33 ALA H H 33 8.004 8.004 8.235 -0.231 19354 3643 1 6 . 1 1 34 34 THR N N 34 106.312 106.312 110.642 -4.330 19354 3644 1 6 . 1 1 34 34 THR HA H 34 4.581 4.581 4.286 0.295 19354 3645 1 6 . 1 1 34 34 THR C C 34 175.334 175.334 173.243 2.091 19354 3646 1 6 . 1 1 34 34 THR CA C 34 60.586 60.586 61.777 -1.191 19354 3647 1 6 . 1 1 34 34 THR CB C 34 70.195 70.195 69.641 0.554 19354 3648 1 6 . 1 1 34 34 THR H H 34 7.551 7.551 7.593 -0.042 19354 3649 1 6 . 1 1 35 35 ASN N N 35 122.599 122.599 125.574 -2.975 19354 3650 1 6 . 1 1 35 35 ASN HA H 35 4.528 4.528 4.490 0.038 19354 3651 1 6 . 1 1 35 35 ASN C C 35 174.221 174.221 174.389 -0.168 19354 3652 1 6 . 1 1 35 35 ASN CA C 35 52.790 52.790 54.294 -1.504 19354 3653 1 6 . 1 1 35 35 ASN CB C 35 36.768 36.768 39.518 -2.750 19354 3654 1 6 . 1 1 35 35 ASN H H 35 7.897 7.897 8.607 -0.710 19354 3655 1 6 . 1 1 36 36 THR N N 36 107.151 107.151 116.947 -9.796 19354 3656 1 6 . 1 1 36 36 THR HA H 36 4.979 4.979 4.493 0.486 19354 3657 1 6 . 1 1 36 36 THR C C 36 173.651 173.651 172.464 1.187 19354 3658 1 6 . 1 1 36 36 THR CA C 36 59.011 59.011 61.175 -2.163 19354 3659 1 6 . 1 1 36 36 THR CB C 36 72.745 72.745 71.236 1.509 19354 3660 1 6 . 1 1 36 36 THR H H 36 7.490 7.490 8.448 -0.958 19354 3661 1 6 . 1 1 37 37 CYS N N 37 118.809 118.809 123.342 -4.533 19354 3662 1 6 . 1 1 37 37 CYS HA H 37 4.095 4.095 4.559 -0.464 19354 3663 1 6 . 1 1 37 37 CYS C C 37 173.688 173.688 173.125 0.563 19354 3664 1 6 . 1 1 37 37 CYS CA C 37 55.634 55.634 58.466 -2.832 19354 3665 1 6 . 1 1 37 37 CYS CB C 37 45.854 45.854 27.042 18.812 19354 3666 1 6 . 1 1 37 37 CYS H H 37 8.632 8.632 8.292 0.340 19354 3667 1 6 . 1 1 38 38 PHE N N 38 128.190 128.190 124.576 3.614 19354 3668 1 6 . 1 1 38 38 PHE HA H 38 4.275 4.275 4.309 -0.034 19354 3669 1 6 . 1 1 38 38 PHE C C 38 176.261 176.261 176.397 -0.136 19354 3670 1 6 . 1 1 38 38 PHE CA C 38 59.067 59.067 57.864 1.202 19354 3671 1 6 . 1 1 38 38 PHE CB C 38 36.576 36.576 37.497 -0.921 19354 3672 1 6 . 1 1 38 38 PHE H H 38 9.018 9.018 8.856 0.162 19354 3673 1 6 . 1 1 39 39 GLY N N 39 104.504 104.504 105.738 -1.234 19354 3674 1 6 . 1 1 39 39 GLY C C 39 174.173 174.173 174.158 0.015 19354 3675 1 6 . 1 1 39 39 GLY CA C 39 45.112 45.112 45.483 -0.372 19354 3676 1 6 . 1 1 39 39 GLY H H 39 8.566 8.566 8.512 0.054 19354 3677 1 6 . 1 1 40 40 SER N N 40 116.201 116.201 115.497 0.704 19354 3678 1 6 . 1 1 40 40 SER HA H 40 4.529 4.529 4.622 -0.093 19354 3679 1 6 . 1 1 40 40 SER C C 40 173.873 173.873 173.246 0.627 19354 3680 1 6 . 1 1 40 40 SER CA C 40 57.436 57.436 57.225 0.211 19354 3681 1 6 . 1 1 40 40 SER CB C 40 63.718 63.718 64.372 -0.654 19354 3682 1 6 . 1 1 40 40 SER H H 40 7.533 7.533 7.832 -0.299 19354 3683 1 6 . 1 1 41 41 LYS N N 41 127.456 127.456 127.806 -0.350 19354 3684 1 6 . 1 1 41 41 LYS HA H 41 4.056 4.056 4.144 -0.088 19354 3685 1 6 . 1 1 41 41 LYS C C 41 176.632 176.632 176.194 0.438 19354 3686 1 6 . 1 1 41 41 LYS CA C 41 56.409 56.409 57.139 -0.730 19354 3687 1 6 . 1 1 41 41 LYS CB C 41 32.169 32.169 32.363 -0.194 19354 3688 1 6 . 1 1 41 41 LYS H H 41 8.768 8.768 8.477 0.290 19354 3689 1 6 . 1 1 42 42 LEU N N 42 128.016 128.016 126.203 1.813 19354 3690 1 6 . 1 1 42 42 LEU HA H 42 4.120 4.120 4.191 -0.071 19354 3691 1 6 . 1 1 42 42 LEU CA C 42 52.010 52.010 51.676 0.334 19354 3692 1 6 . 1 1 42 42 LEU CB C 42 40.680 40.680 40.129 0.551 19354 3693 1 6 . 1 1 42 42 LEU H H 42 8.304 8.304 8.208 0.096 19354 3694 1 6 . 1 1 43 43 PRO HA H 43 4.453 4.453 4.196 0.257 19354 3695 1 6 . 1 1 43 43 PRO CA C 43 62.807 62.807 63.735 -0.928 19354 3696 1 6 . 1 1 43 43 PRO CB C 43 29.625 29.625 31.598 -1.973 19354 3697 1 6 . 1 1 44 44 TYR N N 44 116.871 116.871 114.223 2.648 19354 3698 1 6 . 1 1 44 44 TYR HA H 44 4.689 4.689 4.821 -0.132 19354 3699 1 6 . 1 1 44 44 TYR C C 44 175.239 175.239 175.032 0.207 19354 3700 1 6 . 1 1 44 44 TYR CA C 44 53.718 53.718 54.920 -1.202 19354 3701 1 6 . 1 1 44 44 TYR CB C 44 38.637 38.637 40.383 -1.746 19354 3702 1 6 . 1 1 44 44 TYR H H 44 6.311 6.311 6.615 -0.304 19354 3703 1 6 . 1 1 45 45 GLU N N 45 118.221 118.221 119.496 -1.275 19354 3704 1 6 . 1 1 45 45 GLU HA H 45 4.138 4.138 4.495 -0.357 19354 3705 1 6 . 1 1 45 45 GLU C C 45 176.282 176.282 174.889 1.393 19354 3706 1 6 . 1 1 45 45 GLU CA C 45 57.502 57.502 56.004 1.498 19354 3707 1 6 . 1 1 45 45 GLU CB C 45 31.105 31.105 30.734 0.371 19354 3708 1 6 . 1 1 45 45 GLU H H 45 8.591 8.591 8.724 -0.133 19354 3709 1 6 . 1 1 46 46 LEU N N 46 119.826 119.826 119.131 0.695 19354 3710 1 6 . 1 1 46 46 LEU HA H 46 4.974 4.974 5.339 -0.365 19354 3711 1 6 . 1 1 46 46 LEU C C 46 175.420 175.420 175.850 -0.430 19354 3712 1 6 . 1 1 46 46 LEU CA C 46 53.202 53.202 53.295 -0.093 19354 3713 1 6 . 1 1 46 46 LEU CB C 46 43.587 43.587 45.695 -2.108 19354 3714 1 6 . 1 1 46 46 LEU H H 46 8.176 8.176 7.536 0.640 19354 3715 1 6 . 1 1 47 47 SER N N 47 111.561 111.561 112.894 -1.333 19354 3716 1 6 . 1 1 47 47 SER HA H 47 5.020 5.020 4.579 0.441 19354 3717 1 6 . 1 1 47 47 SER C C 47 173.833 173.833 172.063 1.770 19354 3718 1 6 . 1 1 47 47 SER CA C 47 53.006 53.006 56.821 -3.815 19354 3719 1 6 . 1 1 47 47 SER CB C 47 64.691 64.691 65.196 -0.505 19354 3720 1 6 . 1 1 47 47 SER H H 47 7.924 7.924 8.492 -0.568 19354 3721 1 6 . 1 1 48 48 SER N N 48 111.459 111.459 119.379 -7.920 19354 3722 1 6 . 1 1 48 48 SER HA H 48 4.841 4.841 4.793 0.048 19354 3723 1 6 . 1 1 48 48 SER C C 48 175.602 175.602 174.329 1.273 19354 3724 1 6 . 1 1 48 48 SER CA C 48 57.388 57.388 57.012 0.376 19354 3725 1 6 . 1 1 48 48 SER CB C 48 66.333 66.333 63.857 2.476 19354 3726 1 6 . 1 1 48 48 SER H H 48 8.628 8.628 8.764 -0.136 19354 3727 1 6 . 1 1 49 49 LEU N N 49 128.995 128.995 130.434 -1.439 19354 3728 1 6 . 1 1 49 49 LEU HA H 49 4.383 4.383 4.413 -0.030 19354 3729 1 6 . 1 1 49 49 LEU C C 49 179.571 179.571 178.431 1.140 19354 3730 1 6 . 1 1 49 49 LEU CA C 49 56.032 56.032 56.946 -0.913 19354 3731 1 6 . 1 1 49 49 LEU CB C 49 41.904 41.904 41.371 0.533 19354 3732 1 6 . 1 1 49 49 LEU H H 49 9.519 9.519 9.349 0.170 19354 3733 1 6 . 1 1 50 50 ASP N N 50 115.013 115.013 119.853 -4.840 19354 3734 1 6 . 1 1 50 50 ASP HA H 50 4.168 4.168 4.375 -0.207 19354 3735 1 6 . 1 1 50 50 ASP C C 50 176.486 176.486 177.662 -1.176 19354 3736 1 6 . 1 1 50 50 ASP CA C 50 58.352 58.352 56.583 1.769 19354 3737 1 6 . 1 1 50 50 ASP CB C 50 41.259 41.259 40.596 0.663 19354 3738 1 6 . 1 1 50 50 ASP H H 50 8.191 8.191 7.748 0.443 19354 3739 1 6 . 1 1 51 51 LEU N N 51 118.298 118.298 118.201 0.097 19354 3740 1 6 . 1 1 51 51 LEU HA H 51 4.329 4.329 4.176 0.153 19354 3741 1 6 . 1 1 51 51 LEU C C 51 175.556 175.556 176.653 -1.097 19354 3742 1 6 . 1 1 51 51 LEU CA C 51 54.483 54.483 56.497 -2.014 19354 3743 1 6 . 1 1 51 51 LEU CB C 51 39.219 39.219 42.210 -2.991 19354 3744 1 6 . 1 1 51 51 LEU H H 51 8.732 8.732 7.767 0.965 19354 3745 1 6 . 1 1 52 52 THR N N 52 106.427 106.427 108.325 -1.898 19354 3746 1 6 . 1 1 52 52 THR HA H 52 2.784 2.784 4.512 -1.728 19354 3747 1 6 . 1 1 52 52 THR C C 52 172.812 172.812 173.534 -0.722 19354 3748 1 6 . 1 1 52 52 THR CA C 52 58.759 58.759 60.537 -1.778 19354 3749 1 6 . 1 1 52 52 THR CB C 52 71.985 71.985 71.930 0.056 19354 3750 1 6 . 1 1 52 52 THR H H 52 7.574 7.574 7.426 0.148 19354 3751 1 6 . 1 1 53 53 ASP HA H 53 4.398 4.398 4.667 -0.269 19354 3752 1 6 . 1 1 53 53 ASP CA C 53 52.757 52.757 53.954 -1.197 19354 3753 1 6 . 1 1 53 53 ASP CB C 53 40.737 40.737 41.049 -0.312 19354 3754 1 6 . 1 1 54 54 PHE N N 54 117.929 117.929 116.645 1.284 19354 3755 1 6 . 1 1 54 54 PHE HA H 54 4.498 4.498 4.519 -0.021 19354 3756 1 6 . 1 1 54 54 PHE C C 54 176.169 176.169 176.479 -0.310 19354 3757 1 6 . 1 1 54 54 PHE CA C 54 57.477 57.477 58.568 -1.091 19354 3758 1 6 . 1 1 54 54 PHE CB C 54 39.270 39.270 39.298 -0.028 19354 3759 1 6 . 1 1 54 54 PHE H H 54 7.575 7.575 7.341 0.234 19354 3760 1 6 . 1 1 55 55 HIS N N 55 115.333 115.333 117.791 -2.458 19354 3761 1 6 . 1 1 55 55 HIS HA H 55 4.585 4.585 4.764 -0.179 19354 3762 1 6 . 1 1 55 55 HIS C C 55 175.080 175.080 174.545 0.535 19354 3763 1 6 . 1 1 55 55 HIS CA C 55 56.439 56.439 56.398 0.042 19354 3764 1 6 . 1 1 55 55 HIS CB C 55 31.104 31.104 31.399 -0.295 19354 3765 1 6 . 1 1 55 55 HIS H H 55 9.230 9.230 9.093 0.137 19354 3766 1 6 . 1 1 56 56 THR N N 56 106.891 106.891 110.595 -3.704 19354 3767 1 6 . 1 1 56 56 THR HA H 56 4.528 4.528 4.304 0.224 19354 3768 1 6 . 1 1 56 56 THR C C 56 173.696 173.696 174.252 -0.556 19354 3769 1 6 . 1 1 56 56 THR CA C 56 58.725 58.725 60.829 -2.104 19354 3770 1 6 . 1 1 56 56 THR CB C 56 72.851 72.851 70.008 2.843 19354 3771 1 6 . 1 1 56 56 THR H H 56 7.343 7.343 7.315 0.028 19354 3772 1 6 . 1 1 57 57 GLU N N 57 121.798 121.798 124.236 -2.438 19354 3773 1 6 . 1 1 57 57 GLU HA H 57 3.611 3.611 3.957 -0.346 19354 3774 1 6 . 1 1 57 57 GLU C C 57 178.417 178.417 178.018 0.399 19354 3775 1 6 . 1 1 57 57 GLU CA C 57 59.380 59.380 59.934 -0.554 19354 3776 1 6 . 1 1 57 57 GLU CB C 57 29.873 29.873 29.600 0.273 19354 3777 1 6 . 1 1 57 57 GLU H H 57 8.841 8.841 8.792 0.049 19354 3778 1 6 . 1 1 58 58 LYS N N 58 121.091 121.091 118.506 2.585 19354 3779 1 6 . 1 1 58 58 LYS HA H 58 3.903 3.903 3.941 -0.038 19354 3780 1 6 . 1 1 58 58 LYS C C 58 177.745 177.745 178.374 -0.629 19354 3781 1 6 . 1 1 58 58 LYS CA C 58 59.470 59.470 59.336 0.134 19354 3782 1 6 . 1 1 58 58 LYS CB C 58 32.130 32.130 31.904 0.226 19354 3783 1 6 . 1 1 58 58 LYS H H 58 8.307 8.307 7.935 0.372 19354 3784 1 6 . 1 1 59 59 GLU N N 59 117.790 117.790 119.923 -2.133 19354 3785 1 6 . 1 1 59 59 GLU HA H 59 3.852 3.852 3.994 -0.142 19354 3786 1 6 . 1 1 59 59 GLU C C 59 178.051 178.051 178.348 -0.297 19354 3787 1 6 . 1 1 59 59 GLU CA C 59 59.094 59.094 58.854 0.240 19354 3788 1 6 . 1 1 59 59 GLU CB C 59 30.468 30.468 29.540 0.929 19354 3789 1 6 . 1 1 59 59 GLU H H 59 7.537 7.537 7.486 0.051 19354 3790 1 6 . 1 1 60 60 LEU N N 60 118.763 118.763 121.355 -2.592 19354 3791 1 6 . 1 1 60 60 LEU HA H 60 3.211 3.211 2.742 0.469 19354 3792 1 6 . 1 1 60 60 LEU C C 60 178.070 178.070 178.247 -0.177 19354 3793 1 6 . 1 1 60 60 LEU CA C 60 59.007 59.007 57.410 1.597 19354 3794 1 6 . 1 1 60 60 LEU CB C 60 42.750 42.750 41.995 0.755 19354 3795 1 6 . 1 1 60 60 LEU H H 60 7.321 7.321 7.247 0.074 19354 3796 1 6 . 1 1 61 61 ASN N N 61 116.987 116.987 116.561 0.426 19354 3797 1 6 . 1 1 61 61 ASN HA H 61 4.127 4.127 4.275 -0.148 19354 3798 1 6 . 1 1 61 61 ASN C C 61 177.689 177.689 177.414 0.275 19354 3799 1 6 . 1 1 61 61 ASN CA C 61 57.310 57.310 56.302 1.008 19354 3800 1 6 . 1 1 61 61 ASN CB C 61 39.288 39.288 38.625 0.663 19354 3801 1 6 . 1 1 61 61 ASN H H 61 8.335 8.335 8.112 0.223 19354 3802 1 6 . 1 1 62 62 ASP N N 62 120.935 120.935 119.835 1.100 19354 3803 1 6 . 1 1 62 62 ASP HA H 62 4.306 4.306 4.404 -0.098 19354 3804 1 6 . 1 1 62 62 ASP C C 62 178.868 178.868 178.471 0.397 19354 3805 1 6 . 1 1 62 62 ASP CA C 62 57.510 57.510 56.771 0.739 19354 3806 1 6 . 1 1 62 62 ASP CB C 62 39.596 39.596 40.536 -0.940 19354 3807 1 6 . 1 1 62 62 ASP H H 62 8.376 8.376 8.029 0.347 19354 3808 1 6 . 1 1 63 63 LYS N N 63 119.626 119.626 120.513 -0.887 19354 3809 1 6 . 1 1 63 63 LYS HA H 63 4.168 4.168 4.048 0.120 19354 3810 1 6 . 1 1 63 63 LYS C C 63 179.458 179.458 178.573 0.885 19354 3811 1 6 . 1 1 63 63 LYS CA C 63 55.698 55.698 59.036 -3.338 19354 3812 1 6 . 1 1 63 63 LYS CB C 63 31.082 31.082 32.102 -1.020 19354 3813 1 6 . 1 1 63 63 LYS H H 63 7.748 7.748 7.668 0.080 19354 3814 1 6 . 1 1 64 64 LEU N N 64 120.255 120.255 119.374 0.881 19354 3815 1 6 . 1 1 64 64 LEU HA H 64 3.688 3.688 4.019 -0.331 19354 3816 1 6 . 1 1 64 64 LEU C C 64 178.732 178.732 178.912 -0.180 19354 3817 1 6 . 1 1 64 64 LEU CA C 64 57.722 57.722 57.724 -0.002 19354 3818 1 6 . 1 1 64 64 LEU CB C 64 41.236 41.236 41.068 0.168 19354 3819 1 6 . 1 1 64 64 LEU H H 64 8.221 8.221 7.292 0.929 19354 3820 1 6 . 1 1 65 65 ASN N N 65 113.630 113.630 117.925 -4.295 19354 3821 1 6 . 1 1 65 65 ASN HA H 65 4.580 4.580 4.544 0.036 19354 3822 1 6 . 1 1 65 65 ASN C C 65 178.394 178.394 177.943 0.451 19354 3823 1 6 . 1 1 65 65 ASN CA C 65 55.628 55.628 56.477 -0.849 19354 3824 1 6 . 1 1 65 65 ASN CB C 65 38.269 38.269 37.787 0.482 19354 3825 1 6 . 1 1 65 65 ASN H H 65 7.482 7.482 8.120 -0.638 19354 3826 1 6 . 1 1 66 66 ASP N N 66 120.683 120.683 119.360 1.323 19354 3827 1 6 . 1 1 66 66 ASP HA H 66 4.482 4.482 4.448 0.034 19354 3828 1 6 . 1 1 66 66 ASP C C 66 179.095 179.095 178.941 0.154 19354 3829 1 6 . 1 1 66 66 ASP CA C 66 56.623 56.623 57.910 -1.287 19354 3830 1 6 . 1 1 66 66 ASP CB C 66 39.883 39.883 41.162 -1.279 19354 3831 1 6 . 1 1 66 66 ASP H H 66 7.834 7.834 8.190 -0.356 19354 3832 1 6 . 1 1 67 67 TYR N N 67 116.512 116.512 118.961 -2.449 19354 3833 1 6 . 1 1 67 67 TYR HA H 67 3.984 3.984 4.343 -0.359 19354 3834 1 6 . 1 1 67 67 TYR C C 67 176.554 176.554 177.168 -0.614 19354 3835 1 6 . 1 1 67 67 TYR CA C 67 62.142 62.142 60.050 2.092 19354 3836 1 6 . 1 1 67 67 TYR CB C 67 37.436 37.436 38.254 -0.818 19354 3837 1 6 . 1 1 67 67 TYR H H 67 8.132 8.132 7.469 0.663 19354 3838 1 6 . 1 1 68 68 TYR N N 68 118.786 118.786 120.123 -1.337 19354 3839 1 6 . 1 1 68 68 TYR HA H 68 3.632 3.632 3.205 0.427 19354 3840 1 6 . 1 1 68 68 TYR C C 68 177.915 177.915 177.747 0.168 19354 3841 1 6 . 1 1 68 68 TYR CA C 68 61.395 61.395 61.679 -0.284 19354 3842 1 6 . 1 1 68 68 TYR CB C 68 37.345 37.345 37.091 0.254 19354 3843 1 6 . 1 1 68 68 TYR H H 68 7.558 7.558 8.389 -0.831 19354 3844 1 6 . 1 1 69 69 ALA N N 69 120.715 120.715 121.799 -1.084 19354 3845 1 6 . 1 1 69 69 ALA HA H 69 3.935 3.935 3.840 0.095 19354 3846 1 6 . 1 1 69 69 ALA C C 69 179.390 179.390 178.922 0.468 19354 3847 1 6 . 1 1 69 69 ALA CA C 69 54.015 54.015 54.608 -0.593 19354 3848 1 6 . 1 1 69 69 ALA CB C 69 18.529 18.529 18.043 0.486 19354 3849 1 6 . 1 1 69 69 ALA H H 69 7.453 7.453 7.711 -0.258 19354 3850 1 6 . 1 1 70 70 LEU N N 70 117.212 117.212 119.035 -1.823 19354 3851 1 6 . 1 1 70 70 LEU HA H 70 3.765 3.765 3.851 -0.086 19354 3852 1 6 . 1 1 70 70 LEU C C 70 177.280 177.280 178.034 -0.754 19354 3853 1 6 . 1 1 70 70 LEU CA C 70 56.634 56.634 56.948 -0.314 19354 3854 1 6 . 1 1 70 70 LEU CB C 70 41.045 41.045 41.615 -0.570 19354 3855 1 6 . 1 1 70 70 LEU H H 70 7.764 7.764 8.054 -0.290 19354 3856 1 6 . 1 1 71 71 LYS N N 71 118.756 118.756 118.912 -0.156 19354 3857 1 6 . 1 1 71 71 LYS HA H 71 3.039 3.039 3.556 -0.517 19354 3858 1 6 . 1 1 71 71 LYS C C 71 177.121 177.121 177.852 -0.731 19354 3859 1 6 . 1 1 71 71 LYS CA C 71 58.865 58.865 58.735 0.130 19354 3860 1 6 . 1 1 71 71 LYS CB C 71 31.247 31.247 31.091 0.155 19354 3861 1 6 . 1 1 71 71 LYS H H 71 7.001 7.001 7.872 -0.871 19354 3862 1 6 . 1 1 72 72 HIS N N 72 113.331 113.331 117.995 -4.664 19354 3863 1 6 . 1 1 72 72 HIS HA H 72 4.304 4.304 4.249 0.055 19354 3864 1 6 . 1 1 72 72 HIS C C 72 174.232 174.232 175.911 -1.679 19354 3865 1 6 . 1 1 72 72 HIS CA C 72 57.245 57.245 57.739 -0.494 19354 3866 1 6 . 1 1 72 72 HIS CB C 72 30.221 30.221 30.310 -0.089 19354 3867 1 6 . 1 1 72 72 HIS H H 72 6.973 6.973 7.608 -0.635 19354 3868 1 6 . 1 1 73 73 VAL N N 73 121.486 121.486 119.682 1.804 19354 3869 1 6 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.446 0.085 19354 3870 1 6 . 1 1 73 73 VAL CA C 73 59.159 59.159 59.447 -0.288 19354 3871 1 6 . 1 1 73 73 VAL CB C 73 30.604 30.604 32.833 -2.229 19354 3872 1 6 . 1 1 73 73 VAL H H 73 7.821 7.821 7.932 -0.111 19354 3873 1 6 . 1 1 74 74 PRO HA H 74 4.070 4.070 4.539 -0.469 19354 3874 1 6 . 1 1 74 74 PRO CA C 74 66.637 66.637 65.447 1.190 19354 3875 1 6 . 1 1 74 74 PRO CB C 74 32.212 32.212 32.260 -0.048 19354 3876 1 6 . 1 1 75 75 LYS N N 75 116.832 116.832 119.670 -2.838 19354 3877 1 6 . 1 1 75 75 LYS HA H 75 4.099 4.099 4.069 0.030 19354 3878 1 6 . 1 1 75 75 LYS C C 75 180.048 180.048 177.440 2.608 19354 3879 1 6 . 1 1 75 75 LYS CA C 75 59.398 59.398 58.956 0.442 19354 3880 1 6 . 1 1 75 75 LYS CB C 75 31.296 31.296 30.967 0.329 19354 3881 1 6 . 1 1 75 75 LYS H H 75 9.234 9.234 8.570 0.664 19354 3882 1 6 . 1 1 76 76 CYS N N 76 116.333 116.333 116.758 -0.425 19354 3883 1 6 . 1 1 76 76 CYS HA H 76 4.320 4.320 4.644 -0.324 19354 3884 1 6 . 1 1 76 76 CYS C C 76 175.012 175.012 176.778 -1.766 19354 3885 1 6 . 1 1 76 76 CYS CA C 76 58.297 58.297 59.948 -1.651 19354 3886 1 6 . 1 1 76 76 CYS CB C 76 38.803 38.803 26.488 12.315 19354 3887 1 6 . 1 1 76 76 CYS H H 76 7.496 7.496 8.114 -0.618 19354 3888 1 6 . 1 1 77 77 TRP N N 77 119.987 119.987 123.242 -3.255 19354 3889 1 6 . 1 1 77 77 TRP HA H 77 4.452 4.452 4.201 0.251 19354 3890 1 6 . 1 1 77 77 TRP C C 77 177.462 177.462 177.822 -0.360 19354 3891 1 6 . 1 1 77 77 TRP CA C 77 58.821 58.821 59.897 -1.076 19354 3892 1 6 . 1 1 77 77 TRP CB C 77 30.425 30.425 29.223 1.202 19354 3893 1 6 . 1 1 77 77 TRP H H 77 8.254 8.254 8.137 0.117 19354 3894 1 6 . 1 1 78 78 ALA N N 78 116.093 116.093 119.608 -3.515 19354 3895 1 6 . 1 1 78 78 ALA HA H 78 3.736 3.736 3.602 0.134 19354 3896 1 6 . 1 1 78 78 ALA C C 78 178.845 178.845 179.241 -0.396 19354 3897 1 6 . 1 1 78 78 ALA CA C 78 54.188 54.188 53.939 0.249 19354 3898 1 6 . 1 1 78 78 ALA CB C 78 18.323 18.323 17.603 0.720 19354 3899 1 6 . 1 1 78 78 ALA H H 78 7.968 7.968 8.049 -0.081 19354 3900 1 6 . 1 1 79 79 ALA N N 79 116.351 116.351 120.281 -3.930 19354 3901 1 6 . 1 1 79 79 ALA HA H 79 4.147 4.147 4.165 -0.018 19354 3902 1 6 . 1 1 79 79 ALA C C 79 178.414 178.414 177.651 0.763 19354 3903 1 6 . 1 1 79 79 ALA CA C 79 53.243 53.243 54.184 -0.942 19354 3904 1 6 . 1 1 79 79 ALA CB C 79 19.832 19.832 18.903 0.929 19354 3905 1 6 . 1 1 79 79 ALA H H 79 6.929 6.929 7.212 -0.283 19354 3906 1 6 . 1 1 80 80 ILE N N 80 115.150 115.150 116.521 -1.371 19354 3907 1 6 . 1 1 80 80 ILE HA H 80 4.218 4.218 4.329 -0.111 19354 3908 1 6 . 1 1 80 80 ILE C C 80 176.350 176.350 176.026 0.324 19354 3909 1 6 . 1 1 80 80 ILE CA C 80 62.069 62.069 59.542 2.527 19354 3910 1 6 . 1 1 80 80 ILE CB C 80 39.375 39.375 38.965 0.410 19354 3911 1 6 . 1 1 80 80 ILE H H 80 8.695 8.695 7.501 1.194 19354 3912 1 6 . 1 1 81 81 GLN N N 81 122.564 122.564 122.031 0.533 19354 3913 1 6 . 1 1 81 81 GLN HA H 81 3.332 3.332 4.018 -0.686 19354 3914 1 6 . 1 1 81 81 GLN C C 81 173.470 173.470 175.341 -1.871 19354 3915 1 6 . 1 1 81 81 GLN CA C 81 61.829 61.829 61.387 0.442 19354 3916 1 6 . 1 1 81 81 GLN CB C 81 25.973 25.973 27.086 -1.113 19354 3917 1 6 . 1 1 81 81 GLN H H 81 7.315 7.315 7.427 -0.112 19354 3918 1 6 . 1 1 82 82 PRO HA H 82 4.076 4.076 4.317 -0.241 19354 3919 1 6 . 1 1 82 82 PRO CA C 82 65.894 65.894 64.754 1.140 19354 3920 1 6 . 1 1 82 82 PRO CB C 82 30.481 30.481 31.673 -1.192 19354 3921 1 6 . 1 1 83 83 PHE N N 83 119.137 119.137 118.556 0.581 19354 3922 1 6 . 1 1 83 83 PHE HA H 83 4.289 4.289 4.408 -0.119 19354 3923 1 6 . 1 1 83 83 PHE C C 83 175.919 175.919 175.868 0.051 19354 3924 1 6 . 1 1 83 83 PHE CA C 83 59.712 59.712 56.871 2.841 19354 3925 1 6 . 1 1 83 83 PHE CB C 83 39.329 39.329 38.796 0.533 19354 3926 1 6 . 1 1 83 83 PHE H H 83 6.892 6.892 7.875 -0.983 19354 3927 1 6 . 1 1 84 84 LEU N N 84 116.693 116.693 119.874 -3.181 19354 3928 1 6 . 1 1 84 84 LEU HA H 84 3.611 3.611 3.377 0.234 19354 3929 1 6 . 1 1 84 84 LEU C C 84 180.297 180.297 177.531 2.766 19354 3930 1 6 . 1 1 84 84 LEU CA C 84 57.952 57.952 57.495 0.458 19354 3931 1 6 . 1 1 84 84 LEU CB C 84 41.645 41.645 40.985 0.660 19354 3932 1 6 . 1 1 84 84 LEU H H 84 8.589 8.589 7.866 0.723 19354 3933 1 6 . 1 1 85 85 CYS N N 85 115.085 115.085 114.563 0.522 19354 3934 1 6 . 1 1 85 85 CYS HA H 85 4.127 4.127 4.296 -0.169 19354 3935 1 6 . 1 1 85 85 CYS C C 85 175.556 175.556 176.232 -0.676 19354 3936 1 6 . 1 1 85 85 CYS CA C 85 57.678 57.678 60.022 -2.344 19354 3937 1 6 . 1 1 85 85 CYS CB C 85 39.396 39.396 27.195 12.201 19354 3938 1 6 . 1 1 85 85 CYS H H 85 8.001 8.001 7.413 0.588 19354 3939 1 6 . 1 1 86 86 ALA N N 86 121.743 121.743 121.933 -0.190 19354 3940 1 6 . 1 1 86 86 ALA HA H 86 3.922 3.922 4.288 -0.366 19354 3941 1 6 . 1 1 86 86 ALA C C 86 177.745 177.745 177.103 0.642 19354 3942 1 6 . 1 1 86 86 ALA CA C 86 54.306 54.306 53.714 0.592 19354 3943 1 6 . 1 1 86 86 ALA CB C 86 18.778 18.778 18.437 0.341 19354 3944 1 6 . 1 1 86 86 ALA H H 86 7.671 7.671 7.616 0.055 19354 3945 1 6 . 1 1 87 87 VAL N N 87 115.667 115.667 115.894 -0.227 19354 3946 1 6 . 1 1 87 87 VAL HA H 87 3.735 3.735 3.518 0.217 19354 3947 1 6 . 1 1 87 87 VAL C C 87 175.806 175.806 174.400 1.406 19354 3948 1 6 . 1 1 87 87 VAL CA C 87 64.622 64.622 62.581 2.042 19354 3949 1 6 . 1 1 87 87 VAL CB C 87 32.936 32.936 31.993 0.943 19354 3950 1 6 . 1 1 87 87 VAL H H 87 7.460 7.460 7.133 0.327 19354 3951 1 6 . 1 1 88 88 PHE N N 88 115.306 115.306 114.877 0.429 19354 3952 1 6 . 1 1 88 88 PHE HA H 88 4.048 4.048 4.609 -0.561 19354 3953 1 6 . 1 1 88 88 PHE C C 88 176.192 176.192 175.317 0.875 19354 3954 1 6 . 1 1 88 88 PHE CA C 88 60.420 60.420 57.970 2.450 19354 3955 1 6 . 1 1 88 88 PHE CB C 88 40.182 40.182 40.376 -0.194 19354 3956 1 6 . 1 1 88 88 PHE H H 88 8.930 8.930 6.944 1.986 19354 3957 1 6 . 1 1 89 89 LYS N N 89 115.470 115.470 119.215 -3.745 19354 3958 1 6 . 1 1 89 89 LYS HA H 89 4.816 4.816 4.744 0.072 19354 3959 1 6 . 1 1 89 89 LYS C C 89 184.176 184.176 173.930 10.246 19354 3960 1 6 . 1 1 89 89 LYS CA C 89 53.428 53.428 53.496 -0.068 19354 3961 1 6 . 1 1 89 89 LYS CB C 89 33.274 33.274 32.378 0.896 19354 3962 1 6 . 1 1 89 89 LYS H H 89 7.802 7.802 7.583 0.219 19354 3963 1 6 . 1 1 90 90 PRO HA H 90 4.250 4.250 4.263 -0.013 19354 3964 1 6 . 1 1 90 90 PRO CA C 90 62.682 62.682 62.516 0.166 19354 3965 1 6 . 1 1 90 90 PRO CB C 90 32.358 32.358 32.425 -0.067 19354 3966 1 6 . 1 1 91 91 LYS N N 91 122.391 122.391 122.925 -0.534 19354 3967 1 6 . 1 1 91 91 LYS HA H 91 3.039 3.039 2.856 0.183 19354 3968 1 6 . 1 1 91 91 LYS C C 91 173.356 173.356 175.403 -2.047 19354 3969 1 6 . 1 1 91 91 LYS CA C 91 58.027 58.027 56.347 1.680 19354 3970 1 6 . 1 1 91 91 LYS CB C 91 31.285 31.285 31.925 -0.640 19354 3971 1 6 . 1 1 91 91 LYS H H 91 8.537 8.537 8.137 0.400 19354 3972 1 6 . 1 1 92 92 CYS N N 92 127.562 127.562 126.848 0.714 19354 3973 1 6 . 1 1 92 92 CYS HA H 92 5.391 5.391 4.813 0.578 19354 3974 1 6 . 1 1 92 92 CYS C C 92 171.655 171.655 173.598 -1.943 19354 3975 1 6 . 1 1 92 92 CYS CA C 92 53.804 53.804 57.327 -3.523 19354 3976 1 6 . 1 1 92 92 CYS CB C 92 41.219 41.219 26.997 14.223 19354 3977 1 6 . 1 1 92 92 CYS H H 92 7.037 7.037 8.125 -1.088 19354 3978 1 6 . 1 1 93 93 GLU N N 93 124.483 124.483 127.563 -3.080 19354 3979 1 6 . 1 1 93 93 GLU HA H 93 4.492 4.492 4.691 -0.199 19354 3980 1 6 . 1 1 93 93 GLU C C 93 173.371 173.371 174.760 -1.389 19354 3981 1 6 . 1 1 93 93 GLU CA C 93 54.874 54.874 54.249 0.625 19354 3982 1 6 . 1 1 93 93 GLU CB C 93 34.630 34.630 32.343 2.287 19354 3983 1 6 . 1 1 93 93 GLU H H 93 9.401 9.401 7.904 1.497 19354 3984 1 6 . 1 1 94 94 LYS N N 94 122.694 122.694 120.619 2.075 19354 3985 1 6 . 1 1 94 94 LYS HA H 94 4.581 4.581 4.737 -0.156 19354 3986 1 6 . 1 1 94 94 LYS C C 94 176.509 176.509 176.311 0.198 19354 3987 1 6 . 1 1 94 94 LYS CA C 94 55.856 55.856 55.463 0.393 19354 3988 1 6 . 1 1 94 94 LYS CB C 94 31.809 31.809 33.273 -1.464 19354 3989 1 6 . 1 1 94 94 LYS H H 94 8.526 8.526 8.524 0.002 19354 3990 1 6 . 1 1 95 95 ILE N N 95 128.382 128.382 126.479 1.903 19354 3991 1 6 . 1 1 95 95 ILE HA H 95 4.049 4.049 4.183 -0.134 19354 3992 1 6 . 1 1 95 95 ILE C C 95 176.337 176.337 176.186 0.151 19354 3993 1 6 . 1 1 95 95 ILE CA C 95 60.847 60.847 60.193 0.654 19354 3994 1 6 . 1 1 95 95 ILE CB C 95 39.625 39.625 38.102 1.523 19354 3995 1 6 . 1 1 95 95 ILE H H 95 9.001 9.001 8.431 0.570 19354 3996 1 6 . 1 1 96 96 ASN N N 96 127.596 127.596 127.581 0.015 19354 3997 1 6 . 1 1 96 96 ASN HA H 96 4.212 4.212 4.416 -0.204 19354 3998 1 6 . 1 1 96 96 ASN C C 96 175.496 175.496 175.095 0.401 19354 3999 1 6 . 1 1 96 96 ASN CA C 96 53.970 53.970 53.573 0.397 19354 4000 1 6 . 1 1 96 96 ASN CB C 96 37.238 37.238 38.035 -0.797 19354 4001 1 6 . 1 1 96 96 ASN H H 96 9.474 9.474 9.353 0.121 19354 4002 1 6 . 1 1 97 97 GLY N N 97 101.656 101.656 102.821 -1.165 19354 4003 1 6 . 1 1 97 97 GLY C C 97 173.651 173.651 173.669 -0.018 19354 4004 1 6 . 1 1 97 97 GLY CA C 97 45.167 45.167 44.885 0.283 19354 4005 1 6 . 1 1 97 97 GLY H H 97 8.476 8.476 8.307 0.169 19354 4006 1 6 . 1 1 98 98 GLU N N 98 120.042 120.042 121.000 -0.958 19354 4007 1 6 . 1 1 98 98 GLU HA H 98 4.587 4.587 4.530 0.057 19354 4008 1 6 . 1 1 98 98 GLU C C 98 174.422 174.422 174.979 -0.557 19354 4009 1 6 . 1 1 98 98 GLU CA C 98 54.294 54.294 54.394 -0.100 19354 4010 1 6 . 1 1 98 98 GLU CB C 98 32.934 32.934 31.797 1.137 19354 4011 1 6 . 1 1 98 98 GLU H H 98 7.591 7.591 7.590 0.001 19354 4012 1 6 . 1 1 99 99 ASP N N 99 126.603 126.603 124.863 1.740 19354 4013 1 6 . 1 1 99 99 ASP HA H 99 4.340 4.340 4.402 -0.062 19354 4014 1 6 . 1 1 99 99 ASP C C 99 176.214 176.214 175.838 0.376 19354 4015 1 6 . 1 1 99 99 ASP CA C 99 55.408 55.408 54.706 0.702 19354 4016 1 6 . 1 1 99 99 ASP CB C 99 41.629 41.629 40.200 1.429 19354 4017 1 6 . 1 1 99 99 ASP H H 99 8.489 8.489 8.734 -0.245 19354 4018 1 6 . 1 1 100 100 MET N N 100 121.977 121.977 120.932 1.045 19354 4019 1 6 . 1 1 100 100 MET HA H 100 4.911 4.911 5.400 -0.489 19354 4020 1 6 . 1 1 100 100 MET C C 100 172.900 172.900 175.273 -2.373 19354 4021 1 6 . 1 1 100 100 MET CA C 100 53.649 53.649 53.811 -0.162 19354 4022 1 6 . 1 1 100 100 MET CB C 100 35.529 35.529 37.296 -1.767 19354 4023 1 6 . 1 1 100 100 MET H H 100 8.853 8.853 8.752 0.101 19354 4024 1 6 . 1 1 101 101 VAL N N 101 119.963 119.963 111.048 8.915 19354 4025 1 6 . 1 1 101 101 VAL HA H 101 4.814 4.814 4.472 0.342 19354 4026 1 6 . 1 1 101 101 VAL C C 101 172.991 172.991 173.622 -0.631 19354 4027 1 6 . 1 1 101 101 VAL CA C 101 58.203 58.203 59.670 -1.468 19354 4028 1 6 . 1 1 101 101 VAL CB C 101 34.629 34.629 35.096 -0.467 19354 4029 1 6 . 1 1 101 101 VAL H H 101 8.964 8.964 7.960 1.004 19354 4030 1 6 . 1 1 102 102 TYR N N 102 125.849 125.849 121.692 4.157 19354 4031 1 6 . 1 1 102 102 TYR HA H 102 4.444 4.444 4.813 -0.369 19354 4032 1 6 . 1 1 102 102 TYR C C 102 176.464 176.464 175.121 1.343 19354 4033 1 6 . 1 1 102 102 TYR CA C 102 57.549 57.549 57.687 -0.138 19354 4034 1 6 . 1 1 102 102 TYR CB C 102 38.274 38.274 40.350 -2.076 19354 4035 1 6 . 1 1 102 102 TYR H H 102 8.137 8.137 7.816 0.321 19354 4036 1 6 . 1 1 103 103 LEU N N 103 123.151 123.151 123.700 -0.549 19354 4037 1 6 . 1 1 103 103 LEU HA H 103 4.683 4.683 4.778 -0.095 19354 4038 1 6 . 1 1 103 103 LEU CA C 103 52.426 52.426 51.984 0.442 19354 4039 1 6 . 1 1 103 103 LEU CB C 103 42.038 42.038 43.581 -1.543 19354 4040 1 6 . 1 1 103 103 LEU H H 103 8.308 8.308 8.149 0.159 19354 4041 1 6 . 1 1 104 104 PRO HA H 104 4.678 4.678 4.456 0.222 19354 4042 1 6 . 1 1 104 104 PRO CA C 104 61.704 61.704 62.681 -0.977 19354 4043 1 6 . 1 1 104 104 PRO CB C 104 32.020 32.020 32.370 -0.350 19354 4044 1 6 . 1 1 105 105 SER N N 105 113.955 113.955 116.944 -2.989 19354 4045 1 6 . 1 1 105 105 SER HA H 105 4.632 4.632 4.703 -0.071 19354 4046 1 6 . 1 1 105 105 SER C C 105 175.473 175.473 175.825 -0.352 19354 4047 1 6 . 1 1 105 105 SER CA C 105 56.324 56.324 56.413 -0.089 19354 4048 1 6 . 1 1 105 105 SER CB C 105 65.193 65.193 65.928 -0.735 19354 4049 1 6 . 1 1 105 105 SER H H 105 7.668 7.668 8.570 -0.902 19354 4050 1 6 . 1 1 106 106 TYR N N 106 122.582 122.582 120.020 2.562 19354 4051 1 6 . 1 1 106 106 TYR HA H 106 3.724 3.724 4.205 -0.481 19354 4052 1 6 . 1 1 106 106 TYR C C 106 178.116 178.116 177.549 0.567 19354 4053 1 6 . 1 1 106 106 TYR CA C 106 62.057 62.057 60.029 2.028 19354 4054 1 6 . 1 1 106 106 TYR CB C 106 37.925 37.925 37.464 0.461 19354 4055 1 6 . 1 1 106 106 TYR H H 106 8.492 8.492 9.102 -0.610 19354 4056 1 6 . 1 1 107 107 GLU N N 107 118.362 118.362 119.239 -0.877 19354 4057 1 6 . 1 1 107 107 GLU HA H 107 3.846 3.846 3.390 0.456 19354 4058 1 6 . 1 1 107 107 GLU C C 107 177.421 177.421 178.732 -1.311 19354 4059 1 6 . 1 1 107 107 GLU CA C 107 58.867 58.867 59.447 -0.580 19354 4060 1 6 . 1 1 107 107 GLU CB C 107 28.969 28.969 28.679 0.290 19354 4061 1 6 . 1 1 107 107 GLU H H 107 8.503 8.503 8.191 0.312 19354 4062 1 6 . 1 1 108 108 MET N N 108 116.221 116.221 118.381 -2.160 19354 4063 1 6 . 1 1 108 108 MET HA H 108 3.708 3.708 3.997 -0.289 19354 4064 1 6 . 1 1 108 108 MET C C 108 176.804 176.804 178.231 -1.427 19354 4065 1 6 . 1 1 108 108 MET CA C 108 58.648 58.648 58.381 0.267 19354 4066 1 6 . 1 1 108 108 MET CB C 108 33.058 33.058 32.291 0.767 19354 4067 1 6 . 1 1 108 108 MET H H 108 7.409 7.409 7.535 -0.126 19354 4068 1 6 . 1 1 109 109 CYS N N 109 114.131 114.131 116.503 -2.372 19354 4069 1 6 . 1 1 109 109 CYS HA H 109 3.857 3.857 3.912 -0.055 19354 4070 1 6 . 1 1 109 109 CYS C C 109 178.047 178.047 177.383 0.664 19354 4071 1 6 . 1 1 109 109 CYS CA C 109 58.737 58.737 60.608 -1.871 19354 4072 1 6 . 1 1 109 109 CYS CB C 109 35.006 35.006 25.951 9.055 19354 4073 1 6 . 1 1 109 109 CYS H H 109 6.817 6.817 7.545 -0.728 19354 4074 1 6 . 1 1 110 110 ARG N N 110 124.629 124.629 121.414 3.215 19354 4075 1 6 . 1 1 110 110 ARG HA H 110 3.376 3.376 4.028 -0.652 19354 4076 1 6 . 1 1 110 110 ARG C C 110 179.435 179.435 177.963 1.472 19354 4077 1 6 . 1 1 110 110 ARG CA C 110 59.641 59.641 59.040 0.601 19354 4078 1 6 . 1 1 110 110 ARG CB C 110 29.273 29.273 29.616 -0.343 19354 4079 1 6 . 1 1 110 110 ARG H H 110 8.885 8.885 7.876 1.009 19354 4080 1 6 . 1 1 111 111 ILE N N 111 113.379 113.379 117.871 -4.492 19354 4081 1 6 . 1 1 111 111 ILE HA H 111 3.796 3.796 3.746 0.050 19354 4082 1 6 . 1 1 111 111 ILE C C 111 175.624 175.624 176.547 -0.923 19354 4083 1 6 . 1 1 111 111 ILE CA C 111 63.811 63.811 63.709 0.102 19354 4084 1 6 . 1 1 111 111 ILE CB C 111 38.229 38.229 37.786 0.443 19354 4085 1 6 . 1 1 111 111 ILE H H 111 7.422 7.422 7.970 -0.548 19354 4086 1 6 . 1 1 112 112 THR N N 112 109.403 109.403 111.703 -2.300 19354 4087 1 6 . 1 1 112 112 THR HA H 112 3.889 3.889 4.256 -0.367 19354 4088 1 6 . 1 1 112 112 THR C C 112 175.798 175.798 175.896 -0.098 19354 4089 1 6 . 1 1 112 112 THR CA C 112 62.856 62.856 64.162 -1.306 19354 4090 1 6 . 1 1 112 112 THR CB C 112 70.168 70.168 68.772 1.396 19354 4091 1 6 . 1 1 112 112 THR H H 112 7.574 7.574 7.308 0.266 19354 4092 1 6 . 1 1 113 113 MET N N 113 119.638 119.638 121.223 -1.585 19354 4093 1 6 . 1 1 113 113 MET HA H 113 3.541 3.541 4.373 -0.832 19354 4094 1 6 . 1 1 113 113 MET C C 113 177.174 177.174 177.449 -0.275 19354 4095 1 6 . 1 1 113 113 MET CA C 113 60.235 60.235 59.241 0.994 19354 4096 1 6 . 1 1 113 113 MET CB C 113 32.338 32.338 32.514 -0.176 19354 4097 1 6 . 1 1 113 113 MET H H 113 7.152 7.152 7.852 -0.700 19354 4098 1 6 . 1 1 114 114 GLU N N 114 117.224 117.224 118.046 -0.822 19354 4099 1 6 . 1 1 114 114 GLU HA H 114 4.114 4.114 4.186 -0.072 19354 4100 1 6 . 1 1 114 114 GLU CA C 114 60.422 60.422 60.038 0.384 19354 4101 1 6 . 1 1 114 114 GLU CB C 114 26.103 26.103 28.764 -2.661 19354 4102 1 6 . 1 1 114 114 GLU H H 114 8.580 8.580 7.678 0.902 19354 4103 1 6 . 1 1 115 115 PRO HA H 115 4.304 4.304 4.384 -0.080 19354 4104 1 6 . 1 1 115 115 PRO CA C 115 65.128 65.128 64.090 1.038 19354 4105 1 6 . 1 1 115 115 PRO CB C 115 31.141 31.141 32.043 -0.902 19354 4106 1 6 . 1 1 116 116 CYS N N 116 111.879 111.879 120.011 -8.132 19354 4107 1 6 . 1 1 116 116 CYS HA H 116 4.679 4.679 4.812 -0.133 19354 4108 1 6 . 1 1 116 116 CYS C C 116 174.808 174.808 175.167 -0.359 19354 4109 1 6 . 1 1 116 116 CYS CA C 116 54.060 54.060 58.024 -3.964 19354 4110 1 6 . 1 1 116 116 CYS CB C 116 42.879 42.879 27.240 15.639 19354 4111 1 6 . 1 1 116 116 CYS H H 116 7.208 7.208 8.285 -1.077 19354 4112 1 6 . 1 1 117 117 ARG N N 117 123.750 123.750 124.854 -1.104 19354 4113 1 6 . 1 1 117 117 ARG HA H 117 3.161 3.161 4.215 -1.054 19354 4114 1 6 . 1 1 117 117 ARG C C 117 178.210 178.210 176.782 1.428 19354 4115 1 6 . 1 1 117 117 ARG CA C 117 59.743 59.743 58.484 1.259 19354 4116 1 6 . 1 1 117 117 ARG CB C 117 29.486 29.486 30.434 -0.948 19354 4117 1 6 . 1 1 117 117 ARG H H 117 7.436 7.436 8.670 -1.234 19354 4118 1 6 . 1 1 118 118 ILE N N 118 116.384 116.384 118.845 -2.461 19354 4119 1 6 . 1 1 118 118 ILE HA H 118 4.000 4.000 3.702 0.298 19354 4120 1 6 . 1 1 118 118 ILE C C 118 176.577 176.577 176.121 0.456 19354 4121 1 6 . 1 1 118 118 ILE CA C 118 63.166 63.166 62.751 0.415 19354 4122 1 6 . 1 1 118 118 ILE CB C 118 37.781 37.781 36.395 1.387 19354 4123 1 6 . 1 1 118 118 ILE H H 118 8.130 8.130 8.007 0.123 19354 4124 1 6 . 1 1 119 119 LEU N N 119 119.738 119.738 119.011 0.727 19354 4125 1 6 . 1 1 119 119 LEU HA H 119 4.540 4.540 4.302 0.238 19354 4126 1 6 . 1 1 119 119 LEU C C 119 178.346 178.346 177.399 0.947 19354 4127 1 6 . 1 1 119 119 LEU CA C 119 54.697 54.697 53.062 1.635 19354 4128 1 6 . 1 1 119 119 LEU CB C 119 42.872 42.872 39.815 3.057 19354 4129 1 6 . 1 1 119 119 LEU H H 119 7.771 7.771 7.335 0.436 19354 4130 1 6 . 1 1 120 120 TYR N N 120 121.945 121.945 117.574 4.371 19354 4131 1 6 . 1 1 120 120 TYR HA H 120 4.125 4.125 4.184 -0.059 19354 4132 1 6 . 1 1 120 120 TYR C C 120 176.169 176.169 176.295 -0.126 19354 4133 1 6 . 1 1 120 120 TYR CA C 120 59.682 59.682 59.365 0.317 19354 4134 1 6 . 1 1 120 120 TYR CB C 120 37.180 37.180 37.997 -0.817 19354 4135 1 6 . 1 1 120 120 TYR H H 120 7.886 7.886 7.477 0.409 19354 4136 1 6 . 1 1 121 121 ASN N N 121 115.992 115.992 110.078 5.914 19354 4137 1 6 . 1 1 121 121 ASN HA H 121 4.885 4.885 4.897 -0.012 19354 4138 1 6 . 1 1 121 121 ASN C C 121 175.612 175.612 174.658 0.954 19354 4139 1 6 . 1 1 121 121 ASN CA C 121 52.670 52.670 53.288 -0.618 19354 4140 1 6 . 1 1 121 121 ASN CB C 121 38.058 38.058 38.940 -0.882 19354 4141 1 6 . 1 1 121 121 ASN H H 121 8.228 8.228 8.138 0.090 19354 4142 1 6 . 1 1 122 122 THR N N 122 109.094 109.094 118.685 -9.591 19354 4143 1 6 . 1 1 122 122 THR HA H 122 4.682 4.682 4.373 0.309 19354 4144 1 6 . 1 1 122 122 THR C C 122 175.844 175.844 174.725 1.119 19354 4145 1 6 . 1 1 122 122 THR CA C 122 61.815 61.815 64.285 -2.470 19354 4146 1 6 . 1 1 122 122 THR CB C 122 72.484 72.484 69.497 2.987 19354 4147 1 6 . 1 1 122 122 THR H H 122 7.649 7.649 8.091 -0.442 19354 4148 1 6 . 1 1 123 123 THR N N 123 112.067 112.067 119.822 -7.755 19354 4149 1 6 . 1 1 123 123 THR HA H 123 4.026 4.026 4.134 -0.108 19354 4150 1 6 . 1 1 123 123 THR C C 123 175.033 175.033 173.653 1.380 19354 4151 1 6 . 1 1 123 123 THR CA C 123 63.174 63.174 63.414 -0.240 19354 4152 1 6 . 1 1 123 123 THR CB C 123 68.529 68.529 68.532 -0.003 19354 4153 1 6 . 1 1 123 123 THR H H 123 8.261 8.261 8.415 -0.154 19354 4154 1 6 . 1 1 124 124 PHE N N 124 118.139 118.139 127.294 -9.155 19354 4155 1 6 . 1 1 124 124 PHE HA H 124 4.153 4.153 4.452 -0.299 19354 4156 1 6 . 1 1 124 124 PHE C C 124 175.398 175.398 175.217 0.181 19354 4157 1 6 . 1 1 124 124 PHE CA C 124 59.890 59.890 58.884 1.006 19354 4158 1 6 . 1 1 124 124 PHE CB C 124 39.668 39.668 40.235 -0.567 19354 4159 1 6 . 1 1 124 124 PHE H H 124 7.764 7.764 8.432 -0.668 19354 4160 1 6 . 1 1 125 125 PHE N N 125 118.447 118.447 118.528 -0.081 19354 4161 1 6 . 1 1 125 125 PHE HA H 125 4.662 4.662 5.203 -0.541 19354 4162 1 6 . 1 1 125 125 PHE CA C 125 56.245 56.245 54.745 1.500 19354 4163 1 6 . 1 1 125 125 PHE CB C 125 38.810 38.810 39.478 -0.668 19354 4164 1 6 . 1 1 125 125 PHE H H 125 7.670 7.670 8.009 -0.339 19354 4165 1 6 . 1 1 126 126 PRO HA H 126 4.398 4.398 4.783 -0.385 19354 4166 1 6 . 1 1 126 126 PRO CA C 126 62.432 62.432 62.602 -0.170 19354 4167 1 6 . 1 1 126 126 PRO CB C 126 32.670 32.670 32.912 -0.242 19354 4168 1 6 . 1 1 127 127 LYS N N 127 118.753 118.753 119.243 -0.490 19354 4169 1 6 . 1 1 127 127 LYS HA H 127 3.580 3.580 4.097 -0.517 19354 4170 1 6 . 1 1 127 127 LYS C C 127 177.977 177.977 178.371 -0.394 19354 4171 1 6 . 1 1 127 127 LYS CA C 127 60.279 60.279 58.817 1.462 19354 4172 1 6 . 1 1 127 127 LYS CB C 127 31.599 31.599 31.306 0.293 19354 4173 1 6 . 1 1 127 127 LYS H H 127 8.565 8.565 8.812 -0.247 19354 4174 1 6 . 1 1 128 128 PHE N N 128 110.638 110.638 119.105 -8.467 19354 4175 1 6 . 1 1 128 128 PHE HA H 128 4.481 4.481 4.378 0.103 19354 4176 1 6 . 1 1 128 128 PHE C C 128 173.946 173.946 175.836 -1.890 19354 4177 1 6 . 1 1 128 128 PHE CA C 128 57.841 57.841 60.157 -2.316 19354 4178 1 6 . 1 1 128 128 PHE CB C 128 36.807 36.807 39.082 -2.275 19354 4179 1 6 . 1 1 128 128 PHE H H 128 6.795 6.795 7.944 -1.149 19354 4180 1 6 . 1 1 129 129 LEU N N 129 119.653 119.653 121.026 -1.373 19354 4181 1 6 . 1 1 129 129 LEU HA H 129 4.710 4.710 4.157 0.553 19354 4182 1 6 . 1 1 129 129 LEU C C 129 175.398 175.398 175.686 -0.288 19354 4183 1 6 . 1 1 129 129 LEU CA C 129 53.169 53.169 53.710 -0.541 19354 4184 1 6 . 1 1 129 129 LEU CB C 129 44.901 44.901 40.762 4.139 19354 4185 1 6 . 1 1 129 129 LEU H H 129 7.204 7.204 7.938 -0.734 19354 4186 1 6 . 1 1 130 130 ARG N N 130 116.807 116.807 123.491 -6.684 19354 4187 1 6 . 1 1 130 130 ARG HA H 130 4.328 4.328 4.490 -0.162 19354 4188 1 6 . 1 1 130 130 ARG C C 130 177.099 177.099 175.031 2.068 19354 4189 1 6 . 1 1 130 130 ARG CA C 130 55.250 55.250 55.191 0.059 19354 4190 1 6 . 1 1 130 130 ARG CB C 130 30.355 30.355 28.758 1.597 19354 4191 1 6 . 1 1 130 130 ARG H H 130 7.090 7.090 8.067 -0.977 19354 4192 1 6 . 1 1 131 131 CYS N N 131 117.271 117.271 120.175 -2.904 19354 4193 1 6 . 1 1 131 131 CYS HA H 131 4.588 4.588 4.730 -0.142 19354 4194 1 6 . 1 1 131 131 CYS C C 131 175.022 175.022 173.245 1.777 19354 4195 1 6 . 1 1 131 131 CYS CA C 131 54.449 54.449 56.553 -2.104 19354 4196 1 6 . 1 1 131 131 CYS CB C 131 34.958 34.958 30.825 4.133 19354 4197 1 6 . 1 1 131 131 CYS H H 131 8.210 8.210 8.046 0.164 19354 4198 1 6 . 1 1 132 132 ASN N N 132 120.232 120.232 121.488 -1.256 19354 4199 1 6 . 1 1 132 132 ASN HA H 132 4.811 4.811 4.604 0.207 19354 4200 1 6 . 1 1 132 132 ASN C C 132 175.080 175.080 175.190 -0.110 19354 4201 1 6 . 1 1 132 132 ASN CA C 132 53.188 53.188 53.250 -0.062 19354 4202 1 6 . 1 1 132 132 ASN CB C 132 40.003 40.003 39.015 0.988 19354 4203 1 6 . 1 1 132 132 ASN H H 132 7.801 7.801 8.473 -0.672 19354 4204 1 6 . 1 1 133 133 GLU N N 133 123.435 123.435 122.966 0.469 19354 4205 1 6 . 1 1 133 133 GLU HA H 133 4.225 4.225 4.345 -0.120 19354 4206 1 6 . 1 1 133 133 GLU C C 133 176.447 176.447 177.194 -0.747 19354 4207 1 6 . 1 1 133 133 GLU CA C 133 57.928 57.928 57.246 0.682 19354 4208 1 6 . 1 1 133 133 GLU CB C 133 29.822 29.822 30.661 -0.839 19354 4209 1 6 . 1 1 133 133 GLU H H 133 9.086 9.086 8.705 0.381 19354 4210 1 6 . 1 1 134 134 THR N N 134 113.403 113.403 115.491 -2.088 19354 4211 1 6 . 1 1 134 134 THR HA H 134 3.964 3.964 4.192 -0.228 19354 4212 1 6 . 1 1 134 134 THR C C 134 174.853 174.853 175.699 -0.846 19354 4213 1 6 . 1 1 134 134 THR CA C 134 63.694 63.694 63.901 -0.207 19354 4214 1 6 . 1 1 134 134 THR CB C 134 68.841 68.841 68.981 -0.140 19354 4215 1 6 . 1 1 134 134 THR H H 134 8.067 8.067 8.235 -0.168 19354 4216 1 6 . 1 1 135 135 LEU N N 135 121.377 121.377 118.015 3.362 19354 4217 1 6 . 1 1 135 135 LEU HA H 135 3.964 3.964 4.555 -0.591 19354 4218 1 6 . 1 1 135 135 LEU C C 135 176.215 176.215 175.692 0.523 19354 4219 1 6 . 1 1 135 135 LEU CA C 135 55.656 55.656 54.987 0.669 19354 4220 1 6 . 1 1 135 135 LEU CB C 135 42.291 42.291 42.599 -0.308 19354 4221 1 6 . 1 1 135 135 LEU H H 135 7.448 7.448 7.537 -0.089 19354 4222 1 6 . 1 1 136 136 PHE N N 136 117.704 117.704 118.987 -1.283 19354 4223 1 6 . 1 1 136 136 PHE HA H 136 5.202 5.202 4.930 0.272 19354 4224 1 6 . 1 1 136 136 PHE C C 136 179.412 179.412 174.710 4.702 19354 4225 1 6 . 1 1 136 136 PHE CA C 136 53.495 53.495 54.805 -1.310 19354 4226 1 6 . 1 1 136 136 PHE CB C 136 39.248 39.248 38.312 0.936 19354 4227 1 6 . 1 1 136 136 PHE H H 136 7.542 7.542 8.509 -0.967 19354 4228 1 6 . 1 1 137 137 PRO HA H 137 4.528 4.528 4.275 0.253 19354 4229 1 6 . 1 1 137 137 PRO CA C 137 62.949 62.949 64.594 -1.645 19354 4230 1 6 . 1 1 137 137 PRO CB C 137 32.242 32.242 31.981 0.261 19354 4231 1 6 . 1 1 138 138 THR N N 138 114.025 114.025 112.092 1.933 19354 4232 1 6 . 1 1 138 138 THR HA H 138 4.324 4.324 3.748 0.576 19354 4233 1 6 . 1 1 138 138 THR C C 138 174.175 174.175 174.504 -0.329 19354 4234 1 6 . 1 1 138 138 THR CA C 138 61.863 61.863 63.799 -1.936 19354 4235 1 6 . 1 1 138 138 THR CB C 138 69.742 69.742 68.617 1.125 19354 4236 1 6 . 1 1 138 138 THR H H 138 8.452 8.452 8.159 0.293 19354 4237 1 7 . 1 1 13 13 GLY N N 13 110.400 110.400 110.922 -0.522 19354 4238 1 7 . 1 1 13 13 GLY C C 13 173.560 173.560 172.659 0.901 19354 4239 1 7 . 1 1 13 13 GLY CA C 13 45.111 45.111 45.433 -0.322 19354 4240 1 7 . 1 1 13 13 GLY H H 13 8.335 8.335 8.347 -0.012 19354 4241 1 7 . 1 1 14 14 LEU N N 14 121.222 121.222 123.570 -2.348 19354 4242 1 7 . 1 1 14 14 LEU HA H 14 4.378 4.378 4.825 -0.447 19354 4243 1 7 . 1 1 14 14 LEU C C 14 177.119 177.119 175.305 1.814 19354 4244 1 7 . 1 1 14 14 LEU CA C 14 54.838 54.838 54.059 0.779 19354 4245 1 7 . 1 1 14 14 LEU CB C 14 42.429 42.429 44.292 -1.863 19354 4246 1 7 . 1 1 14 14 LEU H H 14 7.915 7.915 8.126 -0.211 19354 4247 1 7 . 1 1 15 15 VAL N N 15 123.222 123.222 119.946 3.276 19354 4248 1 7 . 1 1 15 15 VAL HA H 15 4.335 4.335 4.587 -0.252 19354 4249 1 7 . 1 1 15 15 VAL C C 15 175.602 175.602 173.924 1.678 19354 4250 1 7 . 1 1 15 15 VAL CA C 15 59.375 59.375 58.021 1.354 19354 4251 1 7 . 1 1 15 15 VAL CB C 15 33.197 33.197 35.574 -2.377 19354 4252 1 7 . 1 1 15 15 VAL H H 15 8.297 8.297 8.197 0.100 19354 4253 1 7 . 1 1 16 16 PRO HA H 16 4.379 4.379 4.681 -0.302 19354 4254 1 7 . 1 1 16 16 PRO CA C 16 62.925 62.925 63.285 -0.360 19354 4255 1 7 . 1 1 16 16 PRO CB C 16 32.043 32.043 30.762 1.281 19354 4256 1 7 . 1 1 17 17 ARG N N 17 122.742 122.742 121.710 1.032 19354 4257 1 7 . 1 1 17 17 ARG HA H 17 4.219 4.219 4.651 -0.432 19354 4258 1 7 . 1 1 17 17 ARG C C 17 176.586 176.586 176.850 -0.264 19354 4259 1 7 . 1 1 17 17 ARG CA C 17 55.479 55.479 56.434 -0.955 19354 4260 1 7 . 1 1 17 17 ARG CB C 17 30.889 30.889 32.002 -1.113 19354 4261 1 7 . 1 1 17 17 ARG H H 17 8.469 8.469 8.665 -0.196 19354 4262 1 7 . 1 1 18 18 GLY N N 18 111.993 111.993 108.082 3.911 19354 4263 1 7 . 1 1 18 18 GLY C C 18 174.453 174.453 173.543 0.910 19354 4264 1 7 . 1 1 18 18 GLY CA C 18 45.670 45.670 46.166 -0.496 19354 4265 1 7 . 1 1 18 18 GLY H H 18 8.538 8.538 8.775 -0.237 19354 4266 1 7 . 1 1 19 19 SER HA H 19 4.318 4.318 4.435 -0.117 19354 4267 1 7 . 1 1 19 19 SER CA C 19 58.480 58.480 56.941 1.539 19354 4268 1 7 . 1 1 19 19 SER CB C 19 63.535 63.535 65.171 -1.637 19354 4269 1 7 . 1 1 20 20 HIS N N 20 120.039 120.039 120.816 -0.777 19354 4270 1 7 . 1 1 20 20 HIS HA H 20 4.678 4.678 4.594 0.084 19354 4271 1 7 . 1 1 20 20 HIS C C 20 174.263 174.263 174.505 -0.242 19354 4272 1 7 . 1 1 20 20 HIS CA C 20 55.889 55.889 56.240 -0.351 19354 4273 1 7 . 1 1 20 20 HIS CB C 20 32.027 32.027 26.969 5.058 19354 4274 1 7 . 1 1 20 20 HIS H H 20 8.344 8.344 8.525 -0.181 19354 4275 1 7 . 1 1 21 21 MET N N 21 120.453 120.453 120.471 -0.018 19354 4276 1 7 . 1 1 21 21 MET HA H 21 4.676 4.676 4.654 0.022 19354 4277 1 7 . 1 1 21 21 MET C C 21 174.808 174.808 174.592 0.216 19354 4278 1 7 . 1 1 21 21 MET CA C 21 54.232 54.232 56.285 -2.053 19354 4279 1 7 . 1 1 21 21 MET CB C 21 32.377 32.377 34.517 -2.140 19354 4280 1 7 . 1 1 21 21 MET H H 21 8.587 8.587 8.323 0.264 19354 4281 1 7 . 1 1 22 22 VAL N N 22 112.794 112.794 117.102 -4.308 19354 4282 1 7 . 1 1 22 22 VAL HA H 22 5.297 5.297 5.067 0.230 19354 4283 1 7 . 1 1 22 22 VAL C C 22 175.218 175.218 174.485 0.733 19354 4284 1 7 . 1 1 22 22 VAL CA C 22 57.885 57.885 60.313 -2.428 19354 4285 1 7 . 1 1 22 22 VAL CB C 22 35.895 35.895 35.270 0.625 19354 4286 1 7 . 1 1 22 22 VAL H H 22 7.805 7.805 7.603 0.202 19354 4287 1 7 . 1 1 23 23 ARG N N 23 117.854 117.854 121.716 -3.862 19354 4288 1 7 . 1 1 23 23 ARG HA H 23 4.578 4.578 4.714 -0.136 19354 4289 1 7 . 1 1 23 23 ARG C C 23 174.128 174.128 174.419 -0.291 19354 4290 1 7 . 1 1 23 23 ARG CA C 23 54.192 54.192 54.362 -0.170 19354 4291 1 7 . 1 1 23 23 ARG CB C 23 34.757 34.757 33.824 0.933 19354 4292 1 7 . 1 1 23 23 ARG H H 23 8.430 8.430 7.839 0.591 19354 4293 1 7 . 1 1 24 24 ARG N N 24 124.928 124.928 120.178 4.750 19354 4294 1 7 . 1 1 24 24 ARG HA H 24 4.619 4.619 4.433 0.186 19354 4295 1 7 . 1 1 24 24 ARG C C 24 176.265 176.265 175.474 0.791 19354 4296 1 7 . 1 1 24 24 ARG CA C 24 57.824 57.824 55.454 2.370 19354 4297 1 7 . 1 1 24 24 ARG CB C 24 29.913 29.913 28.572 1.341 19354 4298 1 7 . 1 1 24 24 ARG H H 24 8.569 8.569 8.525 0.044 19354 4299 1 7 . 1 1 25 25 ALA N N 25 127.390 127.390 123.271 4.119 19354 4300 1 7 . 1 1 25 25 ALA HA H 25 4.379 4.379 4.334 0.045 19354 4301 1 7 . 1 1 25 25 ALA C C 25 174.173 174.173 177.179 -3.006 19354 4302 1 7 . 1 1 25 25 ALA CA C 25 51.382 51.382 51.646 -0.264 19354 4303 1 7 . 1 1 25 25 ALA CB C 25 23.050 23.050 20.480 2.570 19354 4304 1 7 . 1 1 25 25 ALA H H 25 8.082 8.082 7.561 0.521 19354 4305 1 7 . 1 1 26 26 ARG N N 26 116.820 116.820 120.116 -3.296 19354 4306 1 7 . 1 1 26 26 ARG HA H 26 4.692 4.692 4.177 0.515 19354 4307 1 7 . 1 1 26 26 ARG C C 26 177.847 177.847 175.380 2.467 19354 4308 1 7 . 1 1 26 26 ARG CA C 26 55.271 55.271 57.228 -1.957 19354 4309 1 7 . 1 1 26 26 ARG CB C 26 31.215 31.215 31.084 0.131 19354 4310 1 7 . 1 1 26 26 ARG H H 26 8.133 8.133 8.426 -0.293 19354 4311 1 7 . 1 1 27 27 CYS N N 27 126.567 126.567 117.892 8.675 19354 4312 1 7 . 1 1 27 27 CYS HA H 27 5.732 5.732 4.980 0.752 19354 4313 1 7 . 1 1 27 27 CYS C C 27 175.288 175.288 173.234 2.054 19354 4314 1 7 . 1 1 27 27 CYS CA C 27 51.785 51.785 57.943 -6.158 19354 4315 1 7 . 1 1 27 27 CYS CB C 27 38.246 38.246 29.962 8.284 19354 4316 1 7 . 1 1 27 27 CYS H H 27 9.709 9.709 8.204 1.505 19354 4317 1 7 . 1 1 28 28 TYR N N 28 120.309 120.309 123.069 -2.760 19354 4318 1 7 . 1 1 28 28 TYR HA H 28 5.079 5.079 5.152 -0.073 19354 4319 1 7 . 1 1 28 28 TYR CA C 28 54.951 54.951 54.283 0.668 19354 4320 1 7 . 1 1 28 28 TYR CB C 28 39.807 39.807 38.911 0.896 19354 4321 1 7 . 1 1 28 28 TYR H H 28 8.870 8.870 8.966 -0.096 19354 4322 1 7 . 1 1 29 29 PRO HA H 29 4.836 4.836 4.872 -0.036 19354 4323 1 7 . 1 1 29 29 PRO CA C 29 61.773 61.773 62.677 -0.904 19354 4324 1 7 . 1 1 29 29 PRO CB C 29 31.173 31.173 32.428 -1.255 19354 4325 1 7 . 1 1 30 30 THR N N 30 115.177 115.177 120.492 -5.315 19354 4326 1 7 . 1 1 30 30 THR HA H 30 4.253 4.253 4.318 -0.065 19354 4327 1 7 . 1 1 30 30 THR C C 30 173.688 173.688 175.150 -1.462 19354 4328 1 7 . 1 1 30 30 THR CA C 30 61.324 61.324 64.519 -3.195 19354 4329 1 7 . 1 1 30 30 THR CB C 30 70.191 70.191 69.364 0.827 19354 4330 1 7 . 1 1 30 30 THR H H 30 7.978 7.978 8.811 -0.833 19354 4331 1 7 . 1 1 31 31 SER N N 31 116.822 116.822 114.318 2.504 19354 4332 1 7 . 1 1 31 31 SER HA H 31 4.702 4.702 4.687 0.015 19354 4333 1 7 . 1 1 31 31 SER C C 31 175.079 175.079 174.845 0.234 19354 4334 1 7 . 1 1 31 31 SER CA C 31 57.057 57.057 57.006 0.051 19354 4335 1 7 . 1 1 31 31 SER CB C 31 66.020 66.020 64.749 1.271 19354 4336 1 7 . 1 1 31 31 SER H H 31 8.451 8.451 8.074 0.377 19354 4337 1 7 . 1 1 32 32 ASN N N 32 118.803 118.803 119.122 -0.319 19354 4338 1 7 . 1 1 32 32 ASN HA H 32 4.385 4.385 4.646 -0.261 19354 4339 1 7 . 1 1 32 32 ASN C C 32 175.705 175.705 176.074 -0.369 19354 4340 1 7 . 1 1 32 32 ASN CA C 32 55.564 55.564 55.210 0.354 19354 4341 1 7 . 1 1 32 32 ASN CB C 32 37.637 37.637 38.891 -1.254 19354 4342 1 7 . 1 1 32 32 ASN H H 32 8.802 8.802 8.643 0.159 19354 4343 1 7 . 1 1 33 33 ALA N N 33 118.571 118.571 121.425 -2.854 19354 4344 1 7 . 1 1 33 33 ALA HA H 33 4.262 4.262 4.373 -0.111 19354 4345 1 7 . 1 1 33 33 ALA C C 33 179.229 179.229 177.390 1.839 19354 4346 1 7 . 1 1 33 33 ALA CA C 33 53.087 53.087 53.471 -0.384 19354 4347 1 7 . 1 1 33 33 ALA CB C 33 19.563 19.563 19.706 -0.143 19354 4348 1 7 . 1 1 33 33 ALA H H 33 8.004 8.004 7.854 0.150 19354 4349 1 7 . 1 1 34 34 THR N N 34 106.312 106.312 110.213 -3.901 19354 4350 1 7 . 1 1 34 34 THR HA H 34 4.581 4.581 4.276 0.305 19354 4351 1 7 . 1 1 34 34 THR C C 34 175.334 175.334 172.690 2.644 19354 4352 1 7 . 1 1 34 34 THR CA C 34 60.586 60.586 61.635 -1.049 19354 4353 1 7 . 1 1 34 34 THR CB C 34 70.195 70.195 69.568 0.627 19354 4354 1 7 . 1 1 34 34 THR H H 34 7.551 7.551 7.552 -0.001 19354 4355 1 7 . 1 1 35 35 ASN N N 35 122.599 122.599 124.758 -2.159 19354 4356 1 7 . 1 1 35 35 ASN HA H 35 4.528 4.528 4.530 -0.002 19354 4357 1 7 . 1 1 35 35 ASN C C 35 174.221 174.221 174.405 -0.184 19354 4358 1 7 . 1 1 35 35 ASN CA C 35 52.790 52.790 54.400 -1.610 19354 4359 1 7 . 1 1 35 35 ASN CB C 35 36.768 36.768 39.632 -2.864 19354 4360 1 7 . 1 1 35 35 ASN H H 35 7.897 7.897 8.517 -0.620 19354 4361 1 7 . 1 1 36 36 THR N N 36 107.151 107.151 117.120 -9.969 19354 4362 1 7 . 1 1 36 36 THR HA H 36 4.979 4.979 4.525 0.454 19354 4363 1 7 . 1 1 36 36 THR C C 36 173.651 173.651 172.606 1.045 19354 4364 1 7 . 1 1 36 36 THR CA C 36 59.011 59.011 62.309 -3.298 19354 4365 1 7 . 1 1 36 36 THR CB C 36 72.745 72.745 71.779 0.966 19354 4366 1 7 . 1 1 36 36 THR H H 36 7.490 7.490 8.418 -0.928 19354 4367 1 7 . 1 1 37 37 CYS N N 37 118.809 118.809 124.324 -5.515 19354 4368 1 7 . 1 1 37 37 CYS HA H 37 4.095 4.095 4.906 -0.811 19354 4369 1 7 . 1 1 37 37 CYS C C 37 173.688 173.688 173.603 0.085 19354 4370 1 7 . 1 1 37 37 CYS CA C 37 55.634 55.634 58.725 -3.091 19354 4371 1 7 . 1 1 37 37 CYS CB C 37 45.854 45.854 29.203 16.651 19354 4372 1 7 . 1 1 37 37 CYS H H 37 8.632 8.632 8.538 0.094 19354 4373 1 7 . 1 1 38 38 PHE N N 38 128.190 128.190 124.587 3.603 19354 4374 1 7 . 1 1 38 38 PHE HA H 38 4.275 4.275 4.182 0.093 19354 4375 1 7 . 1 1 38 38 PHE C C 38 176.261 176.261 176.626 -0.365 19354 4376 1 7 . 1 1 38 38 PHE CA C 38 59.067 59.067 58.380 0.687 19354 4377 1 7 . 1 1 38 38 PHE CB C 38 36.576 36.576 37.790 -1.214 19354 4378 1 7 . 1 1 38 38 PHE H H 38 9.018 9.018 9.370 -0.352 19354 4379 1 7 . 1 1 39 39 GLY N N 39 104.504 104.504 106.885 -2.381 19354 4380 1 7 . 1 1 39 39 GLY C C 39 174.173 174.173 174.684 -0.511 19354 4381 1 7 . 1 1 39 39 GLY CA C 39 45.112 45.112 45.452 -0.340 19354 4382 1 7 . 1 1 39 39 GLY H H 39 8.566 8.566 8.514 0.052 19354 4383 1 7 . 1 1 40 40 SER N N 40 116.201 116.201 121.052 -4.851 19354 4384 1 7 . 1 1 40 40 SER HA H 40 4.529 4.529 4.385 0.144 19354 4385 1 7 . 1 1 40 40 SER C C 40 173.873 173.873 174.163 -0.290 19354 4386 1 7 . 1 1 40 40 SER CA C 40 57.436 57.436 59.196 -1.760 19354 4387 1 7 . 1 1 40 40 SER CB C 40 63.718 63.718 63.769 -0.051 19354 4388 1 7 . 1 1 40 40 SER H H 40 7.533 7.533 8.072 -0.539 19354 4389 1 7 . 1 1 41 41 LYS N N 41 127.456 127.456 126.939 0.517 19354 4390 1 7 . 1 1 41 41 LYS HA H 41 4.056 4.056 4.132 -0.076 19354 4391 1 7 . 1 1 41 41 LYS C C 41 176.632 176.632 176.212 0.420 19354 4392 1 7 . 1 1 41 41 LYS CA C 41 56.409 56.409 56.611 -0.202 19354 4393 1 7 . 1 1 41 41 LYS CB C 41 32.169 32.169 32.844 -0.675 19354 4394 1 7 . 1 1 41 41 LYS H H 41 8.768 8.768 8.378 0.390 19354 4395 1 7 . 1 1 42 42 LEU N N 42 128.016 128.016 123.966 4.050 19354 4396 1 7 . 1 1 42 42 LEU HA H 42 4.120 4.120 4.316 -0.196 19354 4397 1 7 . 1 1 42 42 LEU CA C 42 52.010 52.010 51.300 0.710 19354 4398 1 7 . 1 1 42 42 LEU CB C 42 40.680 40.680 40.283 0.397 19354 4399 1 7 . 1 1 42 42 LEU H H 42 8.304 8.304 8.189 0.115 19354 4400 1 7 . 1 1 43 43 PRO HA H 43 4.453 4.453 4.191 0.262 19354 4401 1 7 . 1 1 43 43 PRO CA C 43 62.807 62.807 63.773 -0.966 19354 4402 1 7 . 1 1 43 43 PRO CB C 43 29.625 29.625 31.617 -1.992 19354 4403 1 7 . 1 1 44 44 TYR N N 44 116.871 116.871 114.525 2.346 19354 4404 1 7 . 1 1 44 44 TYR HA H 44 4.689 4.689 4.845 -0.156 19354 4405 1 7 . 1 1 44 44 TYR C C 44 175.239 175.239 174.891 0.348 19354 4406 1 7 . 1 1 44 44 TYR CA C 44 53.718 53.718 54.833 -1.115 19354 4407 1 7 . 1 1 44 44 TYR CB C 44 38.637 38.637 40.352 -1.716 19354 4408 1 7 . 1 1 44 44 TYR H H 44 6.311 6.311 6.633 -0.322 19354 4409 1 7 . 1 1 45 45 GLU N N 45 118.221 118.221 119.082 -0.861 19354 4410 1 7 . 1 1 45 45 GLU HA H 45 4.138 4.138 4.609 -0.471 19354 4411 1 7 . 1 1 45 45 GLU C C 45 176.282 176.282 174.756 1.526 19354 4412 1 7 . 1 1 45 45 GLU CA C 45 57.502 57.502 55.968 1.534 19354 4413 1 7 . 1 1 45 45 GLU CB C 45 31.105 31.105 30.559 0.546 19354 4414 1 7 . 1 1 45 45 GLU H H 45 8.591 8.591 8.704 -0.113 19354 4415 1 7 . 1 1 46 46 LEU N N 46 119.826 119.826 119.202 0.624 19354 4416 1 7 . 1 1 46 46 LEU HA H 46 4.974 4.974 5.328 -0.354 19354 4417 1 7 . 1 1 46 46 LEU C C 46 175.420 175.420 175.908 -0.488 19354 4418 1 7 . 1 1 46 46 LEU CA C 46 53.202 53.202 53.117 0.085 19354 4419 1 7 . 1 1 46 46 LEU CB C 46 43.587 43.587 45.877 -2.290 19354 4420 1 7 . 1 1 46 46 LEU H H 46 8.176 8.176 7.503 0.673 19354 4421 1 7 . 1 1 47 47 SER N N 47 111.561 111.561 112.983 -1.422 19354 4422 1 7 . 1 1 47 47 SER HA H 47 5.020 5.020 4.523 0.497 19354 4423 1 7 . 1 1 47 47 SER C C 47 173.833 173.833 172.156 1.677 19354 4424 1 7 . 1 1 47 47 SER CA C 47 53.006 53.006 56.719 -3.713 19354 4425 1 7 . 1 1 47 47 SER CB C 47 64.691 64.691 64.838 -0.147 19354 4426 1 7 . 1 1 47 47 SER H H 47 7.924 7.924 8.430 -0.506 19354 4427 1 7 . 1 1 48 48 SER N N 48 111.459 111.459 118.696 -7.237 19354 4428 1 7 . 1 1 48 48 SER HA H 48 4.841 4.841 4.709 0.132 19354 4429 1 7 . 1 1 48 48 SER C C 48 175.602 175.602 175.052 0.550 19354 4430 1 7 . 1 1 48 48 SER CA C 48 57.388 57.388 55.534 1.854 19354 4431 1 7 . 1 1 48 48 SER CB C 48 66.333 66.333 63.578 2.756 19354 4432 1 7 . 1 1 48 48 SER H H 48 8.628 8.628 8.550 0.078 19354 4433 1 7 . 1 1 49 49 LEU N N 49 128.995 128.995 130.927 -1.932 19354 4434 1 7 . 1 1 49 49 LEU HA H 49 4.383 4.383 4.343 0.040 19354 4435 1 7 . 1 1 49 49 LEU C C 49 179.571 179.571 178.147 1.424 19354 4436 1 7 . 1 1 49 49 LEU CA C 49 56.032 56.032 57.157 -1.125 19354 4437 1 7 . 1 1 49 49 LEU CB C 49 41.904 41.904 41.504 0.400 19354 4438 1 7 . 1 1 49 49 LEU H H 49 9.519 9.519 9.230 0.289 19354 4439 1 7 . 1 1 50 50 ASP N N 50 115.013 115.013 119.591 -4.578 19354 4440 1 7 . 1 1 50 50 ASP HA H 50 4.168 4.168 4.331 -0.163 19354 4441 1 7 . 1 1 50 50 ASP C C 50 176.486 176.486 177.728 -1.242 19354 4442 1 7 . 1 1 50 50 ASP CA C 50 58.352 58.352 56.529 1.823 19354 4443 1 7 . 1 1 50 50 ASP CB C 50 41.259 41.259 40.789 0.469 19354 4444 1 7 . 1 1 50 50 ASP H H 50 8.191 8.191 7.693 0.498 19354 4445 1 7 . 1 1 51 51 LEU N N 51 118.298 118.298 118.199 0.099 19354 4446 1 7 . 1 1 51 51 LEU HA H 51 4.329 4.329 4.112 0.217 19354 4447 1 7 . 1 1 51 51 LEU C C 51 175.556 175.556 176.428 -0.872 19354 4448 1 7 . 1 1 51 51 LEU CA C 51 54.483 54.483 56.656 -2.173 19354 4449 1 7 . 1 1 51 51 LEU CB C 51 39.219 39.219 42.653 -3.434 19354 4450 1 7 . 1 1 51 51 LEU H H 51 8.732 8.732 7.711 1.021 19354 4451 1 7 . 1 1 52 52 THR N N 52 106.427 106.427 107.824 -1.397 19354 4452 1 7 . 1 1 52 52 THR HA H 52 2.784 2.784 4.420 -1.636 19354 4453 1 7 . 1 1 52 52 THR C C 52 172.812 172.812 173.137 -0.325 19354 4454 1 7 . 1 1 52 52 THR CA C 52 58.759 58.759 60.322 -1.563 19354 4455 1 7 . 1 1 52 52 THR CB C 52 71.985 71.985 71.433 0.552 19354 4456 1 7 . 1 1 52 52 THR H H 52 7.574 7.574 7.417 0.157 19354 4457 1 7 . 1 1 53 53 ASP HA H 53 4.398 4.398 4.738 -0.340 19354 4458 1 7 . 1 1 53 53 ASP CA C 53 52.757 52.757 53.147 -0.390 19354 4459 1 7 . 1 1 53 53 ASP CB C 53 40.737 40.737 40.627 0.110 19354 4460 1 7 . 1 1 54 54 PHE N N 54 117.929 117.929 117.522 0.407 19354 4461 1 7 . 1 1 54 54 PHE HA H 54 4.498 4.498 4.674 -0.176 19354 4462 1 7 . 1 1 54 54 PHE C C 54 176.169 176.169 176.546 -0.377 19354 4463 1 7 . 1 1 54 54 PHE CA C 54 57.477 57.477 57.265 0.212 19354 4464 1 7 . 1 1 54 54 PHE CB C 54 39.270 39.270 39.695 -0.425 19354 4465 1 7 . 1 1 54 54 PHE H H 54 7.575 7.575 7.498 0.077 19354 4466 1 7 . 1 1 55 55 HIS N N 55 115.333 115.333 118.602 -3.269 19354 4467 1 7 . 1 1 55 55 HIS HA H 55 4.585 4.585 4.832 -0.247 19354 4468 1 7 . 1 1 55 55 HIS C C 55 175.080 175.080 174.860 0.220 19354 4469 1 7 . 1 1 55 55 HIS CA C 55 56.439 56.439 56.638 -0.199 19354 4470 1 7 . 1 1 55 55 HIS CB C 55 31.104 31.104 30.688 0.416 19354 4471 1 7 . 1 1 55 55 HIS H H 55 9.230 9.230 8.949 0.281 19354 4472 1 7 . 1 1 56 56 THR N N 56 106.891 106.891 111.534 -4.643 19354 4473 1 7 . 1 1 56 56 THR HA H 56 4.528 4.528 4.331 0.197 19354 4474 1 7 . 1 1 56 56 THR C C 56 173.696 173.696 174.191 -0.495 19354 4475 1 7 . 1 1 56 56 THR CA C 56 58.725 58.725 60.985 -2.260 19354 4476 1 7 . 1 1 56 56 THR CB C 56 72.851 72.851 69.689 3.162 19354 4477 1 7 . 1 1 56 56 THR H H 56 7.343 7.343 7.684 -0.341 19354 4478 1 7 . 1 1 57 57 GLU N N 57 121.798 121.798 123.764 -1.966 19354 4479 1 7 . 1 1 57 57 GLU HA H 57 3.611 3.611 3.976 -0.365 19354 4480 1 7 . 1 1 57 57 GLU C C 57 178.417 178.417 178.253 0.164 19354 4481 1 7 . 1 1 57 57 GLU CA C 57 59.380 59.380 60.032 -0.652 19354 4482 1 7 . 1 1 57 57 GLU CB C 57 29.873 29.873 29.726 0.147 19354 4483 1 7 . 1 1 57 57 GLU H H 57 8.841 8.841 8.785 0.056 19354 4484 1 7 . 1 1 58 58 LYS N N 58 121.091 121.091 118.490 2.601 19354 4485 1 7 . 1 1 58 58 LYS HA H 58 3.903 3.903 3.917 -0.014 19354 4486 1 7 . 1 1 58 58 LYS C C 58 177.745 177.745 178.322 -0.577 19354 4487 1 7 . 1 1 58 58 LYS CA C 58 59.470 59.470 59.418 0.052 19354 4488 1 7 . 1 1 58 58 LYS CB C 58 32.130 32.130 31.805 0.325 19354 4489 1 7 . 1 1 58 58 LYS H H 58 8.307 8.307 7.671 0.636 19354 4490 1 7 . 1 1 59 59 GLU N N 59 117.790 117.790 119.653 -1.863 19354 4491 1 7 . 1 1 59 59 GLU HA H 59 3.852 3.852 3.955 -0.103 19354 4492 1 7 . 1 1 59 59 GLU C C 59 178.051 178.051 178.514 -0.463 19354 4493 1 7 . 1 1 59 59 GLU CA C 59 59.094 59.094 59.438 -0.344 19354 4494 1 7 . 1 1 59 59 GLU CB C 59 30.468 30.468 29.115 1.353 19354 4495 1 7 . 1 1 59 59 GLU H H 59 7.537 7.537 7.534 0.003 19354 4496 1 7 . 1 1 60 60 LEU N N 60 118.763 118.763 120.336 -1.573 19354 4497 1 7 . 1 1 60 60 LEU HA H 60 3.211 3.211 2.816 0.395 19354 4498 1 7 . 1 1 60 60 LEU C C 60 178.070 178.070 178.334 -0.264 19354 4499 1 7 . 1 1 60 60 LEU CA C 60 59.007 59.007 57.280 1.727 19354 4500 1 7 . 1 1 60 60 LEU CB C 60 42.750 42.750 41.900 0.850 19354 4501 1 7 . 1 1 60 60 LEU H H 60 7.321 7.321 7.117 0.204 19354 4502 1 7 . 1 1 61 61 ASN N N 61 116.987 116.987 117.463 -0.476 19354 4503 1 7 . 1 1 61 61 ASN HA H 61 4.127 4.127 4.298 -0.171 19354 4504 1 7 . 1 1 61 61 ASN C C 61 177.689 177.689 177.521 0.168 19354 4505 1 7 . 1 1 61 61 ASN CA C 61 57.310 57.310 56.761 0.549 19354 4506 1 7 . 1 1 61 61 ASN CB C 61 39.288 39.288 38.433 0.855 19354 4507 1 7 . 1 1 61 61 ASN H H 61 8.335 8.335 8.031 0.304 19354 4508 1 7 . 1 1 62 62 ASP N N 62 120.935 120.935 119.486 1.449 19354 4509 1 7 . 1 1 62 62 ASP HA H 62 4.306 4.306 4.370 -0.064 19354 4510 1 7 . 1 1 62 62 ASP C C 62 178.868 178.868 178.505 0.363 19354 4511 1 7 . 1 1 62 62 ASP CA C 62 57.510 57.510 56.666 0.844 19354 4512 1 7 . 1 1 62 62 ASP CB C 62 39.596 39.596 40.390 -0.794 19354 4513 1 7 . 1 1 62 62 ASP H H 62 8.376 8.376 8.365 0.011 19354 4514 1 7 . 1 1 63 63 LYS N N 63 119.626 119.626 120.391 -0.765 19354 4515 1 7 . 1 1 63 63 LYS HA H 63 4.168 4.168 4.060 0.108 19354 4516 1 7 . 1 1 63 63 LYS C C 63 179.458 179.458 178.472 0.986 19354 4517 1 7 . 1 1 63 63 LYS CA C 63 55.698 55.698 58.990 -3.292 19354 4518 1 7 . 1 1 63 63 LYS CB C 63 31.082 31.082 31.948 -0.866 19354 4519 1 7 . 1 1 63 63 LYS H H 63 7.748 7.748 7.676 0.072 19354 4520 1 7 . 1 1 64 64 LEU N N 64 120.255 120.255 118.698 1.557 19354 4521 1 7 . 1 1 64 64 LEU HA H 64 3.688 3.688 4.048 -0.360 19354 4522 1 7 . 1 1 64 64 LEU C C 64 178.732 178.732 178.368 0.364 19354 4523 1 7 . 1 1 64 64 LEU CA C 64 57.722 57.722 58.094 -0.372 19354 4524 1 7 . 1 1 64 64 LEU CB C 64 41.236 41.236 40.989 0.248 19354 4525 1 7 . 1 1 64 64 LEU H H 64 8.221 8.221 7.654 0.567 19354 4526 1 7 . 1 1 65 65 ASN N N 65 113.630 113.630 117.400 -3.770 19354 4527 1 7 . 1 1 65 65 ASN HA H 65 4.580 4.580 4.441 0.139 19354 4528 1 7 . 1 1 65 65 ASN C C 65 178.394 178.394 177.377 1.017 19354 4529 1 7 . 1 1 65 65 ASN CA C 65 55.628 55.628 56.502 -0.874 19354 4530 1 7 . 1 1 65 65 ASN CB C 65 38.269 38.269 37.957 0.312 19354 4531 1 7 . 1 1 65 65 ASN H H 65 7.482 7.482 7.948 -0.466 19354 4532 1 7 . 1 1 66 66 ASP N N 66 120.683 120.683 119.805 0.878 19354 4533 1 7 . 1 1 66 66 ASP HA H 66 4.482 4.482 4.431 0.051 19354 4534 1 7 . 1 1 66 66 ASP C C 66 179.095 179.095 178.637 0.458 19354 4535 1 7 . 1 1 66 66 ASP CA C 66 56.623 56.623 57.489 -0.866 19354 4536 1 7 . 1 1 66 66 ASP CB C 66 39.883 39.883 41.007 -1.124 19354 4537 1 7 . 1 1 66 66 ASP H H 66 7.834 7.834 8.285 -0.451 19354 4538 1 7 . 1 1 67 67 TYR N N 67 116.512 116.512 118.820 -2.308 19354 4539 1 7 . 1 1 67 67 TYR HA H 67 3.984 3.984 4.471 -0.487 19354 4540 1 7 . 1 1 67 67 TYR C C 67 176.554 176.554 177.527 -0.973 19354 4541 1 7 . 1 1 67 67 TYR CA C 67 62.142 62.142 60.151 1.991 19354 4542 1 7 . 1 1 67 67 TYR CB C 67 37.436 37.436 38.376 -0.939 19354 4543 1 7 . 1 1 67 67 TYR H H 67 8.132 8.132 7.531 0.601 19354 4544 1 7 . 1 1 68 68 TYR N N 68 118.786 118.786 121.113 -2.327 19354 4545 1 7 . 1 1 68 68 TYR HA H 68 3.632 3.632 3.227 0.405 19354 4546 1 7 . 1 1 68 68 TYR C C 68 177.915 177.915 177.807 0.108 19354 4547 1 7 . 1 1 68 68 TYR CA C 68 61.395 61.395 62.052 -0.657 19354 4548 1 7 . 1 1 68 68 TYR CB C 68 37.345 37.345 37.333 0.012 19354 4549 1 7 . 1 1 68 68 TYR H H 68 7.558 7.558 8.409 -0.851 19354 4550 1 7 . 1 1 69 69 ALA N N 69 120.715 120.715 122.013 -1.298 19354 4551 1 7 . 1 1 69 69 ALA HA H 69 3.935 3.935 3.920 0.015 19354 4552 1 7 . 1 1 69 69 ALA C C 69 179.390 179.390 179.248 0.142 19354 4553 1 7 . 1 1 69 69 ALA CA C 69 54.015 54.015 54.708 -0.693 19354 4554 1 7 . 1 1 69 69 ALA CB C 69 18.529 18.529 17.759 0.770 19354 4555 1 7 . 1 1 69 69 ALA H H 69 7.453 7.453 7.819 -0.366 19354 4556 1 7 . 1 1 70 70 LEU N N 70 117.212 117.212 119.243 -2.031 19354 4557 1 7 . 1 1 70 70 LEU HA H 70 3.765 3.765 3.938 -0.173 19354 4558 1 7 . 1 1 70 70 LEU C C 70 177.280 177.280 178.013 -0.733 19354 4559 1 7 . 1 1 70 70 LEU CA C 70 56.634 56.634 56.837 -0.203 19354 4560 1 7 . 1 1 70 70 LEU CB C 70 41.045 41.045 41.888 -0.843 19354 4561 1 7 . 1 1 70 70 LEU H H 70 7.764 7.764 8.092 -0.328 19354 4562 1 7 . 1 1 71 71 LYS N N 71 118.756 118.756 118.773 -0.017 19354 4563 1 7 . 1 1 71 71 LYS HA H 71 3.039 3.039 3.527 -0.488 19354 4564 1 7 . 1 1 71 71 LYS C C 71 177.121 177.121 177.902 -0.781 19354 4565 1 7 . 1 1 71 71 LYS CA C 71 58.865 58.865 58.850 0.015 19354 4566 1 7 . 1 1 71 71 LYS CB C 71 31.247 31.247 31.133 0.114 19354 4567 1 7 . 1 1 71 71 LYS H H 71 7.001 7.001 8.049 -1.048 19354 4568 1 7 . 1 1 72 72 HIS N N 72 113.331 113.331 118.178 -4.847 19354 4569 1 7 . 1 1 72 72 HIS HA H 72 4.304 4.304 4.266 0.038 19354 4570 1 7 . 1 1 72 72 HIS C C 72 174.232 174.232 175.863 -1.631 19354 4571 1 7 . 1 1 72 72 HIS CA C 72 57.245 57.245 58.674 -1.429 19354 4572 1 7 . 1 1 72 72 HIS CB C 72 30.221 30.221 30.110 0.111 19354 4573 1 7 . 1 1 72 72 HIS H H 72 6.973 6.973 7.609 -0.636 19354 4574 1 7 . 1 1 73 73 VAL N N 73 121.486 121.486 120.734 0.752 19354 4575 1 7 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.347 0.184 19354 4576 1 7 . 1 1 73 73 VAL CA C 73 59.159 59.159 58.630 0.529 19354 4577 1 7 . 1 1 73 73 VAL CB C 73 30.604 30.604 32.109 -1.505 19354 4578 1 7 . 1 1 73 73 VAL H H 73 7.821 7.821 7.886 -0.065 19354 4579 1 7 . 1 1 74 74 PRO HA H 74 4.070 4.070 4.740 -0.670 19354 4580 1 7 . 1 1 74 74 PRO CA C 74 66.637 66.637 64.979 1.658 19354 4581 1 7 . 1 1 74 74 PRO CB C 74 32.212 32.212 32.226 -0.014 19354 4582 1 7 . 1 1 75 75 LYS N N 75 116.832 116.832 119.564 -2.732 19354 4583 1 7 . 1 1 75 75 LYS HA H 75 4.099 4.099 4.172 -0.073 19354 4584 1 7 . 1 1 75 75 LYS C C 75 180.048 180.048 178.281 1.767 19354 4585 1 7 . 1 1 75 75 LYS CA C 75 59.398 59.398 58.885 0.513 19354 4586 1 7 . 1 1 75 75 LYS CB C 75 31.296 31.296 31.469 -0.173 19354 4587 1 7 . 1 1 75 75 LYS H H 75 9.234 9.234 8.725 0.509 19354 4588 1 7 . 1 1 76 76 CYS N N 76 116.333 116.333 118.475 -2.142 19354 4589 1 7 . 1 1 76 76 CYS HA H 76 4.320 4.320 4.614 -0.294 19354 4590 1 7 . 1 1 76 76 CYS C C 76 175.012 175.012 176.331 -1.319 19354 4591 1 7 . 1 1 76 76 CYS CA C 76 58.297 58.297 60.410 -2.113 19354 4592 1 7 . 1 1 76 76 CYS CB C 76 38.803 38.803 27.195 11.608 19354 4593 1 7 . 1 1 76 76 CYS H H 76 7.496 7.496 8.062 -0.566 19354 4594 1 7 . 1 1 77 77 TRP N N 77 119.987 119.987 123.004 -3.017 19354 4595 1 7 . 1 1 77 77 TRP HA H 77 4.452 4.452 4.299 0.153 19354 4596 1 7 . 1 1 77 77 TRP C C 77 177.462 177.462 177.886 -0.424 19354 4597 1 7 . 1 1 77 77 TRP CA C 77 58.821 58.821 60.111 -1.290 19354 4598 1 7 . 1 1 77 77 TRP CB C 77 30.425 30.425 29.192 1.233 19354 4599 1 7 . 1 1 77 77 TRP H H 77 8.254 8.254 8.482 -0.228 19354 4600 1 7 . 1 1 78 78 ALA N N 78 116.093 116.093 120.057 -3.964 19354 4601 1 7 . 1 1 78 78 ALA HA H 78 3.736 3.736 3.569 0.167 19354 4602 1 7 . 1 1 78 78 ALA C C 78 178.845 178.845 178.758 0.087 19354 4603 1 7 . 1 1 78 78 ALA CA C 78 54.188 54.188 54.011 0.177 19354 4604 1 7 . 1 1 78 78 ALA CB C 78 18.323 18.323 17.700 0.623 19354 4605 1 7 . 1 1 78 78 ALA H H 78 7.968 7.968 7.874 0.094 19354 4606 1 7 . 1 1 79 79 ALA N N 79 116.351 116.351 119.735 -3.384 19354 4607 1 7 . 1 1 79 79 ALA HA H 79 4.147 4.147 4.178 -0.031 19354 4608 1 7 . 1 1 79 79 ALA C C 79 178.414 178.414 177.908 0.506 19354 4609 1 7 . 1 1 79 79 ALA CA C 79 53.243 53.243 53.925 -0.682 19354 4610 1 7 . 1 1 79 79 ALA CB C 79 19.832 19.832 19.079 0.753 19354 4611 1 7 . 1 1 79 79 ALA H H 79 6.929 6.929 7.126 -0.197 19354 4612 1 7 . 1 1 80 80 ILE N N 80 115.150 115.150 117.311 -2.161 19354 4613 1 7 . 1 1 80 80 ILE HA H 80 4.218 4.218 4.196 0.022 19354 4614 1 7 . 1 1 80 80 ILE C C 80 176.350 176.350 176.207 0.143 19354 4615 1 7 . 1 1 80 80 ILE CA C 80 62.069 62.069 59.910 2.159 19354 4616 1 7 . 1 1 80 80 ILE CB C 80 39.375 39.375 38.036 1.339 19354 4617 1 7 . 1 1 80 80 ILE H H 80 8.695 8.695 7.469 1.226 19354 4618 1 7 . 1 1 81 81 GLN N N 81 122.564 122.564 121.525 1.039 19354 4619 1 7 . 1 1 81 81 GLN HA H 81 3.332 3.332 3.916 -0.584 19354 4620 1 7 . 1 1 81 81 GLN C C 81 173.470 173.470 175.181 -1.711 19354 4621 1 7 . 1 1 81 81 GLN CA C 81 61.829 61.829 61.158 0.671 19354 4622 1 7 . 1 1 81 81 GLN CB C 81 25.973 25.973 26.967 -0.994 19354 4623 1 7 . 1 1 81 81 GLN H H 81 7.315 7.315 7.360 -0.045 19354 4624 1 7 . 1 1 82 82 PRO HA H 82 4.076 4.076 4.214 -0.138 19354 4625 1 7 . 1 1 82 82 PRO CA C 82 65.894 65.894 64.769 1.125 19354 4626 1 7 . 1 1 82 82 PRO CB C 82 30.481 30.481 31.520 -1.039 19354 4627 1 7 . 1 1 83 83 PHE N N 83 119.137 119.137 118.887 0.250 19354 4628 1 7 . 1 1 83 83 PHE HA H 83 4.289 4.289 4.328 -0.039 19354 4629 1 7 . 1 1 83 83 PHE C C 83 175.919 175.919 176.020 -0.101 19354 4630 1 7 . 1 1 83 83 PHE CA C 83 59.712 59.712 56.902 2.810 19354 4631 1 7 . 1 1 83 83 PHE CB C 83 39.329 39.329 38.756 0.573 19354 4632 1 7 . 1 1 83 83 PHE H H 83 6.892 6.892 7.873 -0.981 19354 4633 1 7 . 1 1 84 84 LEU N N 84 116.693 116.693 119.635 -2.942 19354 4634 1 7 . 1 1 84 84 LEU HA H 84 3.611 3.611 3.253 0.358 19354 4635 1 7 . 1 1 84 84 LEU C C 84 180.297 180.297 177.489 2.808 19354 4636 1 7 . 1 1 84 84 LEU CA C 84 57.952 57.952 57.330 0.622 19354 4637 1 7 . 1 1 84 84 LEU CB C 84 41.645 41.645 40.541 1.104 19354 4638 1 7 . 1 1 84 84 LEU H H 84 8.589 8.589 7.726 0.863 19354 4639 1 7 . 1 1 85 85 CYS N N 85 115.085 115.085 114.995 0.090 19354 4640 1 7 . 1 1 85 85 CYS HA H 85 4.127 4.127 4.295 -0.168 19354 4641 1 7 . 1 1 85 85 CYS C C 85 175.556 175.556 176.352 -0.796 19354 4642 1 7 . 1 1 85 85 CYS CA C 85 57.678 57.678 60.394 -2.716 19354 4643 1 7 . 1 1 85 85 CYS CB C 85 39.396 39.396 27.327 12.069 19354 4644 1 7 . 1 1 85 85 CYS H H 85 8.001 8.001 7.221 0.780 19354 4645 1 7 . 1 1 86 86 ALA N N 86 121.743 121.743 121.549 0.194 19354 4646 1 7 . 1 1 86 86 ALA HA H 86 3.922 3.922 4.309 -0.387 19354 4647 1 7 . 1 1 86 86 ALA C C 86 177.745 177.745 177.066 0.679 19354 4648 1 7 . 1 1 86 86 ALA CA C 86 54.306 54.306 53.534 0.772 19354 4649 1 7 . 1 1 86 86 ALA CB C 86 18.778 18.778 18.334 0.444 19354 4650 1 7 . 1 1 86 86 ALA H H 86 7.671 7.671 7.471 0.200 19354 4651 1 7 . 1 1 87 87 VAL N N 87 115.667 115.667 115.405 0.262 19354 4652 1 7 . 1 1 87 87 VAL HA H 87 3.735 3.735 3.501 0.234 19354 4653 1 7 . 1 1 87 87 VAL C C 87 175.806 175.806 174.564 1.242 19354 4654 1 7 . 1 1 87 87 VAL CA C 87 64.622 64.622 62.495 2.127 19354 4655 1 7 . 1 1 87 87 VAL CB C 87 32.936 32.936 31.918 1.018 19354 4656 1 7 . 1 1 87 87 VAL H H 87 7.460 7.460 7.095 0.365 19354 4657 1 7 . 1 1 88 88 PHE N N 88 115.306 115.306 115.032 0.274 19354 4658 1 7 . 1 1 88 88 PHE HA H 88 4.048 4.048 4.609 -0.561 19354 4659 1 7 . 1 1 88 88 PHE C C 88 176.192 176.192 175.132 1.060 19354 4660 1 7 . 1 1 88 88 PHE CA C 88 60.420 60.420 57.882 2.538 19354 4661 1 7 . 1 1 88 88 PHE CB C 88 40.182 40.182 40.571 -0.389 19354 4662 1 7 . 1 1 88 88 PHE H H 88 8.930 8.930 6.926 2.004 19354 4663 1 7 . 1 1 89 89 LYS N N 89 115.470 115.470 119.674 -4.204 19354 4664 1 7 . 1 1 89 89 LYS HA H 89 4.816 4.816 4.854 -0.038 19354 4665 1 7 . 1 1 89 89 LYS C C 89 184.176 184.176 174.151 10.025 19354 4666 1 7 . 1 1 89 89 LYS CA C 89 53.428 53.428 52.716 0.712 19354 4667 1 7 . 1 1 89 89 LYS CB C 89 33.274 33.274 31.888 1.386 19354 4668 1 7 . 1 1 89 89 LYS H H 89 7.802 7.802 7.601 0.201 19354 4669 1 7 . 1 1 90 90 PRO HA H 90 4.250 4.250 4.313 -0.063 19354 4670 1 7 . 1 1 90 90 PRO CA C 90 62.682 62.682 62.355 0.327 19354 4671 1 7 . 1 1 90 90 PRO CB C 90 32.358 32.358 32.401 -0.043 19354 4672 1 7 . 1 1 91 91 LYS N N 91 122.391 122.391 122.196 0.195 19354 4673 1 7 . 1 1 91 91 LYS HA H 91 3.039 3.039 3.026 0.013 19354 4674 1 7 . 1 1 91 91 LYS C C 91 173.356 173.356 175.543 -2.187 19354 4675 1 7 . 1 1 91 91 LYS CA C 91 58.027 58.027 55.089 2.938 19354 4676 1 7 . 1 1 91 91 LYS CB C 91 31.285 31.285 31.167 0.118 19354 4677 1 7 . 1 1 91 91 LYS H H 91 8.537 8.537 8.330 0.207 19354 4678 1 7 . 1 1 92 92 CYS N N 92 127.562 127.562 125.821 1.741 19354 4679 1 7 . 1 1 92 92 CYS HA H 92 5.391 5.391 4.509 0.882 19354 4680 1 7 . 1 1 92 92 CYS C C 92 171.655 171.655 173.913 -2.258 19354 4681 1 7 . 1 1 92 92 CYS CA C 92 53.804 53.804 58.340 -4.536 19354 4682 1 7 . 1 1 92 92 CYS CB C 92 41.219 41.219 25.689 15.530 19354 4683 1 7 . 1 1 92 92 CYS H H 92 7.037 7.037 7.890 -0.853 19354 4684 1 7 . 1 1 93 93 GLU N N 93 124.483 124.483 127.721 -3.238 19354 4685 1 7 . 1 1 93 93 GLU HA H 93 4.492 4.492 4.667 -0.175 19354 4686 1 7 . 1 1 93 93 GLU C C 93 173.371 173.371 174.939 -1.568 19354 4687 1 7 . 1 1 93 93 GLU CA C 93 54.874 54.874 54.042 0.832 19354 4688 1 7 . 1 1 93 93 GLU CB C 93 34.630 34.630 32.139 2.491 19354 4689 1 7 . 1 1 93 93 GLU H H 93 9.401 9.401 7.913 1.488 19354 4690 1 7 . 1 1 94 94 LYS N N 94 122.694 122.694 120.424 2.270 19354 4691 1 7 . 1 1 94 94 LYS HA H 94 4.581 4.581 4.623 -0.042 19354 4692 1 7 . 1 1 94 94 LYS C C 94 176.509 176.509 176.404 0.105 19354 4693 1 7 . 1 1 94 94 LYS CA C 94 55.856 55.856 55.651 0.205 19354 4694 1 7 . 1 1 94 94 LYS CB C 94 31.809 31.809 32.934 -1.125 19354 4695 1 7 . 1 1 94 94 LYS H H 94 8.526 8.526 8.504 0.022 19354 4696 1 7 . 1 1 95 95 ILE N N 95 128.382 128.382 126.705 1.677 19354 4697 1 7 . 1 1 95 95 ILE HA H 95 4.049 4.049 4.131 -0.082 19354 4698 1 7 . 1 1 95 95 ILE C C 95 176.337 176.337 176.286 0.051 19354 4699 1 7 . 1 1 95 95 ILE CA C 95 60.847 60.847 61.244 -0.397 19354 4700 1 7 . 1 1 95 95 ILE CB C 95 39.625 39.625 38.093 1.532 19354 4701 1 7 . 1 1 95 95 ILE H H 95 9.001 9.001 8.537 0.464 19354 4702 1 7 . 1 1 96 96 ASN N N 96 127.596 127.596 127.581 0.015 19354 4703 1 7 . 1 1 96 96 ASN HA H 96 4.212 4.212 4.403 -0.191 19354 4704 1 7 . 1 1 96 96 ASN C C 96 175.496 175.496 175.163 0.333 19354 4705 1 7 . 1 1 96 96 ASN CA C 96 53.970 53.970 53.567 0.403 19354 4706 1 7 . 1 1 96 96 ASN CB C 96 37.238 37.238 37.949 -0.711 19354 4707 1 7 . 1 1 96 96 ASN H H 96 9.474 9.474 9.377 0.097 19354 4708 1 7 . 1 1 97 97 GLY N N 97 101.656 101.656 103.176 -1.520 19354 4709 1 7 . 1 1 97 97 GLY C C 97 173.651 173.651 173.571 0.080 19354 4710 1 7 . 1 1 97 97 GLY CA C 97 45.167 45.167 44.898 0.269 19354 4711 1 7 . 1 1 97 97 GLY H H 97 8.476 8.476 8.098 0.378 19354 4712 1 7 . 1 1 98 98 GLU N N 98 120.042 120.042 120.770 -0.728 19354 4713 1 7 . 1 1 98 98 GLU HA H 98 4.587 4.587 4.505 0.082 19354 4714 1 7 . 1 1 98 98 GLU C C 98 174.422 174.422 174.990 -0.568 19354 4715 1 7 . 1 1 98 98 GLU CA C 98 54.294 54.294 54.405 -0.111 19354 4716 1 7 . 1 1 98 98 GLU CB C 98 32.934 32.934 32.059 0.875 19354 4717 1 7 . 1 1 98 98 GLU H H 98 7.591 7.591 7.682 -0.091 19354 4718 1 7 . 1 1 99 99 ASP N N 99 126.603 126.603 127.234 -0.631 19354 4719 1 7 . 1 1 99 99 ASP HA H 99 4.340 4.340 4.495 -0.155 19354 4720 1 7 . 1 1 99 99 ASP C C 99 176.214 176.214 175.548 0.666 19354 4721 1 7 . 1 1 99 99 ASP CA C 99 55.408 55.408 55.993 -0.585 19354 4722 1 7 . 1 1 99 99 ASP CB C 99 41.629 41.629 40.495 1.134 19354 4723 1 7 . 1 1 99 99 ASP H H 99 8.489 8.489 8.727 -0.238 19354 4724 1 7 . 1 1 100 100 MET N N 100 121.977 121.977 120.713 1.264 19354 4725 1 7 . 1 1 100 100 MET HA H 100 4.911 4.911 5.302 -0.391 19354 4726 1 7 . 1 1 100 100 MET C C 100 172.900 172.900 174.255 -1.355 19354 4727 1 7 . 1 1 100 100 MET CA C 100 53.649 53.649 53.685 -0.036 19354 4728 1 7 . 1 1 100 100 MET CB C 100 35.529 35.529 37.536 -2.007 19354 4729 1 7 . 1 1 100 100 MET H H 100 8.853 8.853 8.837 0.016 19354 4730 1 7 . 1 1 101 101 VAL N N 101 119.963 119.963 113.403 6.560 19354 4731 1 7 . 1 1 101 101 VAL HA H 101 4.814 4.814 4.356 0.458 19354 4732 1 7 . 1 1 101 101 VAL C C 101 172.991 172.991 173.674 -0.683 19354 4733 1 7 . 1 1 101 101 VAL CA C 101 58.203 58.203 59.392 -1.189 19354 4734 1 7 . 1 1 101 101 VAL CB C 101 34.629 34.629 34.409 0.220 19354 4735 1 7 . 1 1 101 101 VAL H H 101 8.964 8.964 7.941 1.023 19354 4736 1 7 . 1 1 102 102 TYR N N 102 125.849 125.849 121.778 4.071 19354 4737 1 7 . 1 1 102 102 TYR HA H 102 4.444 4.444 5.018 -0.574 19354 4738 1 7 . 1 1 102 102 TYR C C 102 176.464 176.464 175.976 0.488 19354 4739 1 7 . 1 1 102 102 TYR CA C 102 57.549 57.549 56.550 1.000 19354 4740 1 7 . 1 1 102 102 TYR CB C 102 38.274 38.274 37.939 0.335 19354 4741 1 7 . 1 1 102 102 TYR H H 102 8.137 8.137 8.365 -0.228 19354 4742 1 7 . 1 1 103 103 LEU N N 103 123.151 123.151 126.344 -3.193 19354 4743 1 7 . 1 1 103 103 LEU HA H 103 4.683 4.683 4.376 0.307 19354 4744 1 7 . 1 1 103 103 LEU CA C 103 52.426 52.426 54.831 -2.405 19354 4745 1 7 . 1 1 103 103 LEU CB C 103 42.038 42.038 41.976 0.062 19354 4746 1 7 . 1 1 103 103 LEU H H 103 8.308 8.308 8.338 -0.030 19354 4747 1 7 . 1 1 104 104 PRO HA H 104 4.678 4.678 4.580 0.098 19354 4748 1 7 . 1 1 104 104 PRO CA C 104 61.704 61.704 62.586 -0.882 19354 4749 1 7 . 1 1 104 104 PRO CB C 104 32.020 32.020 32.550 -0.530 19354 4750 1 7 . 1 1 105 105 SER N N 105 113.955 113.955 115.589 -1.634 19354 4751 1 7 . 1 1 105 105 SER HA H 105 4.632 4.632 4.634 -0.002 19354 4752 1 7 . 1 1 105 105 SER C C 105 175.473 175.473 176.153 -0.680 19354 4753 1 7 . 1 1 105 105 SER CA C 105 56.324 56.324 57.810 -1.486 19354 4754 1 7 . 1 1 105 105 SER CB C 105 65.193 65.193 64.757 0.436 19354 4755 1 7 . 1 1 105 105 SER H H 105 7.668 7.668 8.291 -0.623 19354 4756 1 7 . 1 1 106 106 TYR N N 106 122.582 122.582 122.760 -0.178 19354 4757 1 7 . 1 1 106 106 TYR HA H 106 3.724 3.724 4.055 -0.331 19354 4758 1 7 . 1 1 106 106 TYR C C 106 178.116 178.116 177.353 0.763 19354 4759 1 7 . 1 1 106 106 TYR CA C 106 62.057 62.057 60.504 1.553 19354 4760 1 7 . 1 1 106 106 TYR CB C 106 37.925 37.925 37.312 0.613 19354 4761 1 7 . 1 1 106 106 TYR H H 106 8.492 8.492 9.103 -0.611 19354 4762 1 7 . 1 1 107 107 GLU N N 107 118.362 118.362 118.924 -0.562 19354 4763 1 7 . 1 1 107 107 GLU HA H 107 3.846 3.846 3.339 0.507 19354 4764 1 7 . 1 1 107 107 GLU C C 107 177.421 177.421 178.392 -0.971 19354 4765 1 7 . 1 1 107 107 GLU CA C 107 58.867 58.867 59.361 -0.494 19354 4766 1 7 . 1 1 107 107 GLU CB C 107 28.969 28.969 28.675 0.294 19354 4767 1 7 . 1 1 107 107 GLU H H 107 8.503 8.503 8.086 0.417 19354 4768 1 7 . 1 1 108 108 MET N N 108 116.221 116.221 117.685 -1.464 19354 4769 1 7 . 1 1 108 108 MET HA H 108 3.708 3.708 4.047 -0.339 19354 4770 1 7 . 1 1 108 108 MET C C 108 176.804 176.804 178.186 -1.382 19354 4771 1 7 . 1 1 108 108 MET CA C 108 58.648 58.648 57.926 0.722 19354 4772 1 7 . 1 1 108 108 MET CB C 108 33.058 33.058 31.621 1.437 19354 4773 1 7 . 1 1 108 108 MET H H 108 7.409 7.409 7.860 -0.451 19354 4774 1 7 . 1 1 109 109 CYS N N 109 114.131 114.131 116.891 -2.760 19354 4775 1 7 . 1 1 109 109 CYS HA H 109 3.857 3.857 3.711 0.146 19354 4776 1 7 . 1 1 109 109 CYS C C 109 178.047 178.047 176.512 1.535 19354 4777 1 7 . 1 1 109 109 CYS CA C 109 58.737 58.737 59.697 -0.960 19354 4778 1 7 . 1 1 109 109 CYS CB C 109 35.006 35.006 26.641 8.365 19354 4779 1 7 . 1 1 109 109 CYS H H 109 6.817 6.817 7.557 -0.740 19354 4780 1 7 . 1 1 110 110 ARG N N 110 124.629 124.629 120.734 3.895 19354 4781 1 7 . 1 1 110 110 ARG HA H 110 3.376 3.376 4.104 -0.728 19354 4782 1 7 . 1 1 110 110 ARG C C 110 179.435 179.435 178.659 0.776 19354 4783 1 7 . 1 1 110 110 ARG CA C 110 59.641 59.641 57.807 1.834 19354 4784 1 7 . 1 1 110 110 ARG CB C 110 29.273 29.273 29.116 0.157 19354 4785 1 7 . 1 1 110 110 ARG H H 110 8.885 8.885 7.763 1.122 19354 4786 1 7 . 1 1 111 111 ILE N N 111 113.379 113.379 117.538 -4.159 19354 4787 1 7 . 1 1 111 111 ILE HA H 111 3.796 3.796 3.821 -0.025 19354 4788 1 7 . 1 1 111 111 ILE C C 111 175.624 175.624 176.862 -1.238 19354 4789 1 7 . 1 1 111 111 ILE CA C 111 63.811 63.811 63.509 0.302 19354 4790 1 7 . 1 1 111 111 ILE CB C 111 38.229 38.229 36.368 1.861 19354 4791 1 7 . 1 1 111 111 ILE H H 111 7.422 7.422 7.839 -0.417 19354 4792 1 7 . 1 1 112 112 THR N N 112 109.403 109.403 110.837 -1.434 19354 4793 1 7 . 1 1 112 112 THR HA H 112 3.889 3.889 4.278 -0.389 19354 4794 1 7 . 1 1 112 112 THR C C 112 175.798 175.798 175.129 0.669 19354 4795 1 7 . 1 1 112 112 THR CA C 112 62.856 62.856 62.087 0.769 19354 4796 1 7 . 1 1 112 112 THR CB C 112 70.168 70.168 68.735 1.433 19354 4797 1 7 . 1 1 112 112 THR H H 112 7.574 7.574 7.490 0.084 19354 4798 1 7 . 1 1 113 113 MET N N 113 119.638 119.638 115.844 3.794 19354 4799 1 7 . 1 1 113 113 MET HA H 113 3.541 3.541 4.437 -0.896 19354 4800 1 7 . 1 1 113 113 MET C C 113 177.174 177.174 176.771 0.403 19354 4801 1 7 . 1 1 113 113 MET CA C 113 60.235 60.235 57.728 2.506 19354 4802 1 7 . 1 1 113 113 MET CB C 113 32.338 32.338 32.960 -0.622 19354 4803 1 7 . 1 1 113 113 MET H H 113 7.152 7.152 7.949 -0.797 19354 4804 1 7 . 1 1 114 114 GLU N N 114 117.224 117.224 120.460 -3.236 19354 4805 1 7 . 1 1 114 114 GLU HA H 114 4.114 4.114 4.078 0.036 19354 4806 1 7 . 1 1 114 114 GLU CA C 114 60.422 60.422 60.071 0.352 19354 4807 1 7 . 1 1 114 114 GLU CB C 114 26.103 26.103 28.039 -1.936 19354 4808 1 7 . 1 1 114 114 GLU H H 114 8.580 8.580 8.497 0.083 19354 4809 1 7 . 1 1 115 115 PRO HA H 115 4.304 4.304 4.353 -0.049 19354 4810 1 7 . 1 1 115 115 PRO CA C 115 65.128 65.128 63.973 1.155 19354 4811 1 7 . 1 1 115 115 PRO CB C 115 31.141 31.141 31.800 -0.659 19354 4812 1 7 . 1 1 116 116 CYS N N 116 111.879 111.879 119.901 -8.022 19354 4813 1 7 . 1 1 116 116 CYS HA H 116 4.679 4.679 4.575 0.104 19354 4814 1 7 . 1 1 116 116 CYS C C 116 174.808 174.808 175.263 -0.455 19354 4815 1 7 . 1 1 116 116 CYS CA C 116 54.060 54.060 58.988 -4.928 19354 4816 1 7 . 1 1 116 116 CYS CB C 116 42.879 42.879 25.011 17.868 19354 4817 1 7 . 1 1 116 116 CYS H H 116 7.208 7.208 8.258 -1.050 19354 4818 1 7 . 1 1 117 117 ARG N N 117 123.750 123.750 123.370 0.380 19354 4819 1 7 . 1 1 117 117 ARG HA H 117 3.161 3.161 3.885 -0.724 19354 4820 1 7 . 1 1 117 117 ARG C C 117 178.210 178.210 177.501 0.709 19354 4821 1 7 . 1 1 117 117 ARG CA C 117 59.743 59.743 58.501 1.242 19354 4822 1 7 . 1 1 117 117 ARG CB C 117 29.486 29.486 30.892 -1.406 19354 4823 1 7 . 1 1 117 117 ARG H H 117 7.436 7.436 8.047 -0.611 19354 4824 1 7 . 1 1 118 118 ILE N N 118 116.384 116.384 118.345 -1.961 19354 4825 1 7 . 1 1 118 118 ILE HA H 118 4.000 4.000 3.970 0.030 19354 4826 1 7 . 1 1 118 118 ILE C C 118 176.577 176.577 176.573 0.004 19354 4827 1 7 . 1 1 118 118 ILE CA C 118 63.166 63.166 62.082 1.084 19354 4828 1 7 . 1 1 118 118 ILE CB C 118 37.781 37.781 37.065 0.716 19354 4829 1 7 . 1 1 118 118 ILE H H 118 8.130 8.130 8.226 -0.096 19354 4830 1 7 . 1 1 119 119 LEU N N 119 119.738 119.738 119.554 0.184 19354 4831 1 7 . 1 1 119 119 LEU HA H 119 4.540 4.540 4.382 0.158 19354 4832 1 7 . 1 1 119 119 LEU C C 119 178.346 178.346 177.836 0.510 19354 4833 1 7 . 1 1 119 119 LEU CA C 119 54.697 54.697 53.971 0.725 19354 4834 1 7 . 1 1 119 119 LEU CB C 119 42.872 42.872 40.563 2.309 19354 4835 1 7 . 1 1 119 119 LEU H H 119 7.771 7.771 7.203 0.568 19354 4836 1 7 . 1 1 120 120 TYR N N 120 121.945 121.945 120.411 1.534 19354 4837 1 7 . 1 1 120 120 TYR HA H 120 4.125 4.125 4.153 -0.028 19354 4838 1 7 . 1 1 120 120 TYR C C 120 176.169 176.169 177.446 -1.277 19354 4839 1 7 . 1 1 120 120 TYR CA C 120 59.682 59.682 61.568 -1.886 19354 4840 1 7 . 1 1 120 120 TYR CB C 120 37.180 37.180 38.232 -1.052 19354 4841 1 7 . 1 1 120 120 TYR H H 120 7.886 7.886 7.657 0.229 19354 4842 1 7 . 1 1 121 121 ASN N N 121 115.992 115.992 113.931 2.061 19354 4843 1 7 . 1 1 121 121 ASN HA H 121 4.885 4.885 4.669 0.216 19354 4844 1 7 . 1 1 121 121 ASN C C 121 175.612 175.612 174.918 0.694 19354 4845 1 7 . 1 1 121 121 ASN CA C 121 52.670 52.670 53.280 -0.610 19354 4846 1 7 . 1 1 121 121 ASN CB C 121 38.058 38.058 39.849 -1.790 19354 4847 1 7 . 1 1 121 121 ASN H H 121 8.228 8.228 8.532 -0.304 19354 4848 1 7 . 1 1 122 122 THR N N 122 109.094 109.094 114.647 -5.553 19354 4849 1 7 . 1 1 122 122 THR HA H 122 4.682 4.682 4.155 0.527 19354 4850 1 7 . 1 1 122 122 THR C C 122 175.844 175.844 173.788 2.056 19354 4851 1 7 . 1 1 122 122 THR CA C 122 61.815 61.815 63.194 -1.379 19354 4852 1 7 . 1 1 122 122 THR CB C 122 72.484 72.484 68.594 3.890 19354 4853 1 7 . 1 1 122 122 THR H H 122 7.649 7.649 8.127 -0.478 19354 4854 1 7 . 1 1 123 123 THR N N 123 112.067 112.067 117.229 -5.162 19354 4855 1 7 . 1 1 123 123 THR HA H 123 4.026 4.026 4.353 -0.327 19354 4856 1 7 . 1 1 123 123 THR C C 123 175.033 175.033 173.554 1.479 19354 4857 1 7 . 1 1 123 123 THR CA C 123 63.174 63.174 62.362 0.812 19354 4858 1 7 . 1 1 123 123 THR CB C 123 68.529 68.529 69.074 -0.545 19354 4859 1 7 . 1 1 123 123 THR H H 123 8.261 8.261 7.843 0.418 19354 4860 1 7 . 1 1 124 124 PHE N N 124 118.139 118.139 119.186 -1.047 19354 4861 1 7 . 1 1 124 124 PHE HA H 124 4.153 4.153 4.638 -0.485 19354 4862 1 7 . 1 1 124 124 PHE C C 124 175.398 175.398 175.429 -0.031 19354 4863 1 7 . 1 1 124 124 PHE CA C 124 59.890 59.890 57.681 2.209 19354 4864 1 7 . 1 1 124 124 PHE CB C 124 39.668 39.668 39.764 -0.096 19354 4865 1 7 . 1 1 124 124 PHE H H 124 7.764 7.764 7.669 0.095 19354 4866 1 7 . 1 1 125 125 PHE N N 125 118.447 118.447 119.294 -0.847 19354 4867 1 7 . 1 1 125 125 PHE HA H 125 4.662 4.662 5.142 -0.480 19354 4868 1 7 . 1 1 125 125 PHE CA C 125 56.245 56.245 55.437 0.808 19354 4869 1 7 . 1 1 125 125 PHE CB C 125 38.810 38.810 40.143 -1.333 19354 4870 1 7 . 1 1 125 125 PHE H H 125 7.670 7.670 8.233 -0.563 19354 4871 1 7 . 1 1 126 126 PRO HA H 126 4.398 4.398 4.363 0.035 19354 4872 1 7 . 1 1 126 126 PRO CA C 126 62.432 62.432 64.969 -2.537 19354 4873 1 7 . 1 1 126 126 PRO CB C 126 32.670 32.670 32.125 0.545 19354 4874 1 7 . 1 1 127 127 LYS N N 127 118.753 118.753 117.710 1.043 19354 4875 1 7 . 1 1 127 127 LYS HA H 127 3.580 3.580 4.171 -0.591 19354 4876 1 7 . 1 1 127 127 LYS C C 127 177.977 177.977 178.088 -0.111 19354 4877 1 7 . 1 1 127 127 LYS CA C 127 60.279 60.279 59.255 1.024 19354 4878 1 7 . 1 1 127 127 LYS CB C 127 31.599 31.599 31.529 0.070 19354 4879 1 7 . 1 1 127 127 LYS H H 127 8.565 8.565 8.385 0.180 19354 4880 1 7 . 1 1 128 128 PHE N N 128 110.638 110.638 118.709 -8.071 19354 4881 1 7 . 1 1 128 128 PHE HA H 128 4.481 4.481 4.613 -0.132 19354 4882 1 7 . 1 1 128 128 PHE C C 128 173.946 173.946 176.874 -2.928 19354 4883 1 7 . 1 1 128 128 PHE CA C 128 57.841 57.841 59.895 -2.054 19354 4884 1 7 . 1 1 128 128 PHE CB C 128 36.807 36.807 39.312 -2.505 19354 4885 1 7 . 1 1 128 128 PHE H H 128 6.795 6.795 7.716 -0.921 19354 4886 1 7 . 1 1 129 129 LEU N N 129 119.653 119.653 119.552 0.101 19354 4887 1 7 . 1 1 129 129 LEU HA H 129 4.710 4.710 3.514 1.196 19354 4888 1 7 . 1 1 129 129 LEU C C 129 175.398 175.398 177.416 -2.018 19354 4889 1 7 . 1 1 129 129 LEU CA C 129 53.169 53.169 55.590 -2.421 19354 4890 1 7 . 1 1 129 129 LEU CB C 129 44.901 44.901 42.514 2.387 19354 4891 1 7 . 1 1 129 129 LEU H H 129 7.204 7.204 7.421 -0.217 19354 4892 1 7 . 1 1 130 130 ARG N N 130 116.807 116.807 116.439 0.368 19354 4893 1 7 . 1 1 130 130 ARG HA H 130 4.328 4.328 4.035 0.293 19354 4894 1 7 . 1 1 130 130 ARG C C 130 177.099 177.099 174.860 2.239 19354 4895 1 7 . 1 1 130 130 ARG CA C 130 55.250 55.250 57.163 -1.913 19354 4896 1 7 . 1 1 130 130 ARG CB C 130 30.355 30.355 27.244 3.111 19354 4897 1 7 . 1 1 130 130 ARG H H 130 7.090 7.090 8.264 -1.174 19354 4898 1 7 . 1 1 131 131 CYS N N 131 117.271 117.271 116.236 1.035 19354 4899 1 7 . 1 1 131 131 CYS HA H 131 4.588 4.588 4.746 -0.158 19354 4900 1 7 . 1 1 131 131 CYS C C 131 175.022 175.022 173.417 1.605 19354 4901 1 7 . 1 1 131 131 CYS CA C 131 54.449 54.449 57.469 -3.020 19354 4902 1 7 . 1 1 131 131 CYS CB C 131 34.958 34.958 30.281 4.677 19354 4903 1 7 . 1 1 131 131 CYS H H 131 8.210 8.210 8.293 -0.083 19354 4904 1 7 . 1 1 132 132 ASN N N 132 120.232 120.232 120.481 -0.249 19354 4905 1 7 . 1 1 132 132 ASN HA H 132 4.811 4.811 4.834 -0.023 19354 4906 1 7 . 1 1 132 132 ASN C C 132 175.080 175.080 174.070 1.010 19354 4907 1 7 . 1 1 132 132 ASN CA C 132 53.188 53.188 52.574 0.614 19354 4908 1 7 . 1 1 132 132 ASN CB C 132 40.003 40.003 40.756 -0.753 19354 4909 1 7 . 1 1 132 132 ASN H H 132 7.801 7.801 8.248 -0.447 19354 4910 1 7 . 1 1 133 133 GLU N N 133 123.435 123.435 120.685 2.750 19354 4911 1 7 . 1 1 133 133 GLU HA H 133 4.225 4.225 4.387 -0.162 19354 4912 1 7 . 1 1 133 133 GLU C C 133 176.447 176.447 177.433 -0.986 19354 4913 1 7 . 1 1 133 133 GLU CA C 133 57.928 57.928 57.173 0.755 19354 4914 1 7 . 1 1 133 133 GLU CB C 133 29.822 29.822 31.086 -1.264 19354 4915 1 7 . 1 1 133 133 GLU H H 133 9.086 9.086 8.744 0.342 19354 4916 1 7 . 1 1 134 134 THR N N 134 113.403 113.403 115.136 -1.733 19354 4917 1 7 . 1 1 134 134 THR HA H 134 3.964 3.964 4.129 -0.165 19354 4918 1 7 . 1 1 134 134 THR C C 134 174.853 174.853 175.466 -0.613 19354 4919 1 7 . 1 1 134 134 THR CA C 134 63.694 63.694 64.407 -0.713 19354 4920 1 7 . 1 1 134 134 THR CB C 134 68.841 68.841 69.017 -0.176 19354 4921 1 7 . 1 1 134 134 THR H H 134 8.067 8.067 8.308 -0.241 19354 4922 1 7 . 1 1 135 135 LEU N N 135 121.377 121.377 117.911 3.466 19354 4923 1 7 . 1 1 135 135 LEU HA H 135 3.964 3.964 4.435 -0.471 19354 4924 1 7 . 1 1 135 135 LEU C C 135 176.215 176.215 175.726 0.489 19354 4925 1 7 . 1 1 135 135 LEU CA C 135 55.656 55.656 54.847 0.809 19354 4926 1 7 . 1 1 135 135 LEU CB C 135 42.291 42.291 42.794 -0.503 19354 4927 1 7 . 1 1 135 135 LEU H H 135 7.448 7.448 7.494 -0.046 19354 4928 1 7 . 1 1 136 136 PHE N N 136 117.704 117.704 118.663 -0.959 19354 4929 1 7 . 1 1 136 136 PHE HA H 136 5.202 5.202 4.855 0.347 19354 4930 1 7 . 1 1 136 136 PHE C C 136 179.412 179.412 175.043 4.369 19354 4931 1 7 . 1 1 136 136 PHE CA C 136 53.495 53.495 55.158 -1.663 19354 4932 1 7 . 1 1 136 136 PHE CB C 136 39.248 39.248 38.802 0.446 19354 4933 1 7 . 1 1 136 136 PHE H H 136 7.542 7.542 8.614 -1.072 19354 4934 1 7 . 1 1 137 137 PRO HA H 137 4.528 4.528 4.322 0.206 19354 4935 1 7 . 1 1 137 137 PRO CA C 137 62.949 62.949 64.039 -1.090 19354 4936 1 7 . 1 1 137 137 PRO CB C 137 32.242 32.242 32.178 0.064 19354 4937 1 7 . 1 1 138 138 THR N N 138 114.025 114.025 112.509 1.516 19354 4938 1 7 . 1 1 138 138 THR HA H 138 4.324 4.324 3.800 0.524 19354 4939 1 7 . 1 1 138 138 THR C C 138 174.175 174.175 174.334 -0.159 19354 4940 1 7 . 1 1 138 138 THR CA C 138 61.863 61.863 63.671 -1.808 19354 4941 1 7 . 1 1 138 138 THR CB C 138 69.742 69.742 68.556 1.186 19354 4942 1 7 . 1 1 138 138 THR H H 138 8.452 8.452 8.235 0.217 19354 4943 1 8 . 1 1 13 13 GLY N N 13 110.400 110.400 109.825 0.575 19354 4944 1 8 . 1 1 13 13 GLY C C 13 173.560 173.560 172.578 0.982 19354 4945 1 8 . 1 1 13 13 GLY CA C 13 45.111 45.111 44.751 0.360 19354 4946 1 8 . 1 1 13 13 GLY H H 13 8.335 8.335 8.242 0.093 19354 4947 1 8 . 1 1 14 14 LEU N N 14 121.222 121.222 121.383 -0.161 19354 4948 1 8 . 1 1 14 14 LEU HA H 14 4.378 4.378 4.645 -0.267 19354 4949 1 8 . 1 1 14 14 LEU C C 14 177.119 177.119 175.317 1.802 19354 4950 1 8 . 1 1 14 14 LEU CA C 14 54.838 54.838 54.140 0.698 19354 4951 1 8 . 1 1 14 14 LEU CB C 14 42.429 42.429 44.365 -1.936 19354 4952 1 8 . 1 1 14 14 LEU H H 14 7.915 7.915 7.585 0.330 19354 4953 1 8 . 1 1 15 15 VAL N N 15 123.222 123.222 125.681 -2.459 19354 4954 1 8 . 1 1 15 15 VAL HA H 15 4.335 4.335 4.126 0.209 19354 4955 1 8 . 1 1 15 15 VAL C C 15 175.602 175.602 174.289 1.313 19354 4956 1 8 . 1 1 15 15 VAL CA C 15 59.375 59.375 59.655 -0.280 19354 4957 1 8 . 1 1 15 15 VAL CB C 15 33.197 33.197 33.051 0.146 19354 4958 1 8 . 1 1 15 15 VAL H H 15 8.297 8.297 8.563 -0.266 19354 4959 1 8 . 1 1 16 16 PRO HA H 16 4.379 4.379 4.574 -0.195 19354 4960 1 8 . 1 1 16 16 PRO CA C 16 62.925 62.925 63.144 -0.219 19354 4961 1 8 . 1 1 16 16 PRO CB C 16 32.043 32.043 30.945 1.098 19354 4962 1 8 . 1 1 17 17 ARG N N 17 122.742 122.742 123.566 -0.824 19354 4963 1 8 . 1 1 17 17 ARG HA H 17 4.219 4.219 4.808 -0.589 19354 4964 1 8 . 1 1 17 17 ARG C C 17 176.586 176.586 177.530 -0.944 19354 4965 1 8 . 1 1 17 17 ARG CA C 17 55.479 55.479 54.512 0.967 19354 4966 1 8 . 1 1 17 17 ARG CB C 17 30.889 30.889 32.261 -1.372 19354 4967 1 8 . 1 1 17 17 ARG H H 17 8.469 8.469 7.936 0.533 19354 4968 1 8 . 1 1 18 18 GLY N N 18 111.993 111.993 108.148 3.845 19354 4969 1 8 . 1 1 18 18 GLY C C 18 174.453 174.453 174.577 -0.124 19354 4970 1 8 . 1 1 18 18 GLY CA C 18 45.670 45.670 46.481 -0.812 19354 4971 1 8 . 1 1 18 18 GLY H H 18 8.538 8.538 8.890 -0.352 19354 4972 1 8 . 1 1 19 19 SER HA H 19 4.318 4.318 4.450 -0.132 19354 4973 1 8 . 1 1 19 19 SER CA C 19 58.480 58.480 58.390 0.090 19354 4974 1 8 . 1 1 19 19 SER CB C 19 63.535 63.535 64.283 -0.748 19354 4975 1 8 . 1 1 20 20 HIS N N 20 120.039 120.039 123.298 -3.259 19354 4976 1 8 . 1 1 20 20 HIS HA H 20 4.678 4.678 4.862 -0.184 19354 4977 1 8 . 1 1 20 20 HIS C C 20 174.263 174.263 173.741 0.522 19354 4978 1 8 . 1 1 20 20 HIS CA C 20 55.889 55.889 56.727 -0.838 19354 4979 1 8 . 1 1 20 20 HIS CB C 20 32.027 32.027 30.587 1.440 19354 4980 1 8 . 1 1 20 20 HIS H H 20 8.344 8.344 8.126 0.218 19354 4981 1 8 . 1 1 21 21 MET N N 21 120.453 120.453 123.154 -2.701 19354 4982 1 8 . 1 1 21 21 MET HA H 21 4.676 4.676 4.605 0.071 19354 4983 1 8 . 1 1 21 21 MET C C 21 174.808 174.808 173.927 0.881 19354 4984 1 8 . 1 1 21 21 MET CA C 21 54.232 54.232 56.914 -2.682 19354 4985 1 8 . 1 1 21 21 MET CB C 21 32.377 32.377 35.433 -3.056 19354 4986 1 8 . 1 1 21 21 MET H H 21 8.587 8.587 8.575 0.012 19354 4987 1 8 . 1 1 22 22 VAL N N 22 112.794 112.794 116.273 -3.479 19354 4988 1 8 . 1 1 22 22 VAL HA H 22 5.297 5.297 5.079 0.218 19354 4989 1 8 . 1 1 22 22 VAL C C 22 175.218 175.218 174.679 0.539 19354 4990 1 8 . 1 1 22 22 VAL CA C 22 57.885 57.885 59.910 -2.025 19354 4991 1 8 . 1 1 22 22 VAL CB C 22 35.895 35.895 35.546 0.349 19354 4992 1 8 . 1 1 22 22 VAL H H 22 7.805 7.805 7.820 -0.015 19354 4993 1 8 . 1 1 23 23 ARG N N 23 117.854 117.854 120.234 -2.380 19354 4994 1 8 . 1 1 23 23 ARG HA H 23 4.578 4.578 4.561 0.017 19354 4995 1 8 . 1 1 23 23 ARG C C 23 174.128 174.128 174.666 -0.538 19354 4996 1 8 . 1 1 23 23 ARG CA C 23 54.192 54.192 54.623 -0.431 19354 4997 1 8 . 1 1 23 23 ARG CB C 23 34.757 34.757 33.132 1.625 19354 4998 1 8 . 1 1 23 23 ARG H H 23 8.430 8.430 7.931 0.499 19354 4999 1 8 . 1 1 24 24 ARG N N 24 124.928 124.928 125.506 -0.578 19354 5000 1 8 . 1 1 24 24 ARG HA H 24 4.619 4.619 4.432 0.187 19354 5001 1 8 . 1 1 24 24 ARG C C 24 176.265 176.265 175.493 0.772 19354 5002 1 8 . 1 1 24 24 ARG CA C 24 57.824 57.824 56.761 1.063 19354 5003 1 8 . 1 1 24 24 ARG CB C 24 29.913 29.913 28.247 1.666 19354 5004 1 8 . 1 1 24 24 ARG H H 24 8.569 8.569 8.370 0.200 19354 5005 1 8 . 1 1 25 25 ALA N N 25 127.390 127.390 125.414 1.976 19354 5006 1 8 . 1 1 25 25 ALA HA H 25 4.379 4.379 4.693 -0.314 19354 5007 1 8 . 1 1 25 25 ALA C C 25 174.173 174.173 176.772 -2.599 19354 5008 1 8 . 1 1 25 25 ALA CA C 25 51.382 51.382 51.087 0.295 19354 5009 1 8 . 1 1 25 25 ALA CB C 25 23.050 23.050 20.697 2.353 19354 5010 1 8 . 1 1 25 25 ALA H H 25 8.082 8.082 8.020 0.062 19354 5011 1 8 . 1 1 26 26 ARG N N 26 116.820 116.820 118.623 -1.803 19354 5012 1 8 . 1 1 26 26 ARG HA H 26 4.692 4.692 4.418 0.274 19354 5013 1 8 . 1 1 26 26 ARG C C 26 177.847 177.847 175.016 2.831 19354 5014 1 8 . 1 1 26 26 ARG CA C 26 55.271 55.271 55.417 -0.146 19354 5015 1 8 . 1 1 26 26 ARG CB C 26 31.215 31.215 31.705 -0.490 19354 5016 1 8 . 1 1 26 26 ARG H H 26 8.133 8.133 8.436 -0.303 19354 5017 1 8 . 1 1 27 27 CYS N N 27 126.567 126.567 119.529 7.038 19354 5018 1 8 . 1 1 27 27 CYS HA H 27 5.732 5.732 4.960 0.772 19354 5019 1 8 . 1 1 27 27 CYS C C 27 175.288 175.288 173.274 2.014 19354 5020 1 8 . 1 1 27 27 CYS CA C 27 51.785 51.785 57.963 -6.178 19354 5021 1 8 . 1 1 27 27 CYS CB C 27 38.246 38.246 29.384 8.861 19354 5022 1 8 . 1 1 27 27 CYS H H 27 9.709 9.709 8.336 1.373 19354 5023 1 8 . 1 1 28 28 TYR N N 28 120.309 120.309 124.220 -3.911 19354 5024 1 8 . 1 1 28 28 TYR HA H 28 5.079 5.079 5.169 -0.090 19354 5025 1 8 . 1 1 28 28 TYR CA C 28 54.951 54.951 54.214 0.737 19354 5026 1 8 . 1 1 28 28 TYR CB C 28 39.807 39.807 38.979 0.828 19354 5027 1 8 . 1 1 28 28 TYR H H 28 8.870 8.870 8.950 -0.080 19354 5028 1 8 . 1 1 29 29 PRO HA H 29 4.836 4.836 4.848 -0.012 19354 5029 1 8 . 1 1 29 29 PRO CA C 29 61.773 61.773 62.633 -0.860 19354 5030 1 8 . 1 1 29 29 PRO CB C 29 31.173 31.173 32.393 -1.220 19354 5031 1 8 . 1 1 30 30 THR N N 30 115.177 115.177 118.630 -3.453 19354 5032 1 8 . 1 1 30 30 THR HA H 30 4.253 4.253 4.310 -0.057 19354 5033 1 8 . 1 1 30 30 THR C C 30 173.688 173.688 175.461 -1.773 19354 5034 1 8 . 1 1 30 30 THR CA C 30 61.324 61.324 64.035 -2.711 19354 5035 1 8 . 1 1 30 30 THR CB C 30 70.191 70.191 69.277 0.914 19354 5036 1 8 . 1 1 30 30 THR H H 30 7.978 7.978 8.724 -0.746 19354 5037 1 8 . 1 1 31 31 SER N N 31 116.822 116.822 114.224 2.598 19354 5038 1 8 . 1 1 31 31 SER HA H 31 4.702 4.702 4.632 0.070 19354 5039 1 8 . 1 1 31 31 SER C C 31 175.079 175.079 175.135 -0.056 19354 5040 1 8 . 1 1 31 31 SER CA C 31 57.057 57.057 56.186 0.871 19354 5041 1 8 . 1 1 31 31 SER CB C 31 66.020 66.020 64.406 1.614 19354 5042 1 8 . 1 1 31 31 SER H H 31 8.451 8.451 8.079 0.372 19354 5043 1 8 . 1 1 32 32 ASN N N 32 118.803 118.803 119.139 -0.336 19354 5044 1 8 . 1 1 32 32 ASN HA H 32 4.385 4.385 4.545 -0.160 19354 5045 1 8 . 1 1 32 32 ASN C C 32 175.705 175.705 175.744 -0.039 19354 5046 1 8 . 1 1 32 32 ASN CA C 32 55.564 55.564 55.477 0.087 19354 5047 1 8 . 1 1 32 32 ASN CB C 32 37.637 37.637 38.614 -0.976 19354 5048 1 8 . 1 1 32 32 ASN H H 32 8.802 8.802 8.874 -0.072 19354 5049 1 8 . 1 1 33 33 ALA N N 33 118.571 118.571 120.767 -2.196 19354 5050 1 8 . 1 1 33 33 ALA HA H 33 4.262 4.262 4.330 -0.068 19354 5051 1 8 . 1 1 33 33 ALA C C 33 179.229 179.229 177.119 2.110 19354 5052 1 8 . 1 1 33 33 ALA CA C 33 53.087 53.087 53.084 0.003 19354 5053 1 8 . 1 1 33 33 ALA CB C 33 19.563 19.563 20.055 -0.492 19354 5054 1 8 . 1 1 33 33 ALA H H 33 8.004 8.004 8.285 -0.281 19354 5055 1 8 . 1 1 34 34 THR N N 34 106.312 106.312 110.054 -3.742 19354 5056 1 8 . 1 1 34 34 THR HA H 34 4.581 4.581 4.265 0.316 19354 5057 1 8 . 1 1 34 34 THR C C 34 175.334 175.334 172.883 2.451 19354 5058 1 8 . 1 1 34 34 THR CA C 34 60.586 60.586 61.622 -1.036 19354 5059 1 8 . 1 1 34 34 THR CB C 34 70.195 70.195 69.465 0.730 19354 5060 1 8 . 1 1 34 34 THR H H 34 7.551 7.551 7.563 -0.012 19354 5061 1 8 . 1 1 35 35 ASN N N 35 122.599 122.599 123.520 -0.921 19354 5062 1 8 . 1 1 35 35 ASN HA H 35 4.528 4.528 4.660 -0.132 19354 5063 1 8 . 1 1 35 35 ASN C C 35 174.221 174.221 174.441 -0.220 19354 5064 1 8 . 1 1 35 35 ASN CA C 35 52.790 52.790 54.517 -1.727 19354 5065 1 8 . 1 1 35 35 ASN CB C 35 36.768 36.768 39.507 -2.739 19354 5066 1 8 . 1 1 35 35 ASN H H 35 7.897 7.897 8.684 -0.787 19354 5067 1 8 . 1 1 36 36 THR N N 36 107.151 107.151 117.843 -10.692 19354 5068 1 8 . 1 1 36 36 THR HA H 36 4.979 4.979 4.497 0.482 19354 5069 1 8 . 1 1 36 36 THR C C 36 173.651 173.651 172.388 1.263 19354 5070 1 8 . 1 1 36 36 THR CA C 36 59.011 59.011 61.711 -2.700 19354 5071 1 8 . 1 1 36 36 THR CB C 36 72.745 72.745 71.186 1.559 19354 5072 1 8 . 1 1 36 36 THR H H 36 7.490 7.490 8.194 -0.704 19354 5073 1 8 . 1 1 37 37 CYS N N 37 118.809 118.809 124.429 -5.620 19354 5074 1 8 . 1 1 37 37 CYS HA H 37 4.095 4.095 4.807 -0.712 19354 5075 1 8 . 1 1 37 37 CYS C C 37 173.688 173.688 173.542 0.146 19354 5076 1 8 . 1 1 37 37 CYS CA C 37 55.634 55.634 58.548 -2.914 19354 5077 1 8 . 1 1 37 37 CYS CB C 37 45.854 45.854 28.462 17.392 19354 5078 1 8 . 1 1 37 37 CYS H H 37 8.632 8.632 8.554 0.078 19354 5079 1 8 . 1 1 38 38 PHE N N 38 128.190 128.190 125.036 3.154 19354 5080 1 8 . 1 1 38 38 PHE HA H 38 4.275 4.275 4.179 0.096 19354 5081 1 8 . 1 1 38 38 PHE C C 38 176.261 176.261 176.580 -0.319 19354 5082 1 8 . 1 1 38 38 PHE CA C 38 59.067 59.067 58.156 0.911 19354 5083 1 8 . 1 1 38 38 PHE CB C 38 36.576 36.576 37.554 -0.978 19354 5084 1 8 . 1 1 38 38 PHE H H 38 9.018 9.018 9.319 -0.301 19354 5085 1 8 . 1 1 39 39 GLY N N 39 104.504 104.504 107.382 -2.878 19354 5086 1 8 . 1 1 39 39 GLY C C 39 174.173 174.173 174.312 -0.139 19354 5087 1 8 . 1 1 39 39 GLY CA C 39 45.112 45.112 45.448 -0.336 19354 5088 1 8 . 1 1 39 39 GLY H H 39 8.566 8.566 8.543 0.023 19354 5089 1 8 . 1 1 40 40 SER N N 40 116.201 116.201 121.730 -5.529 19354 5090 1 8 . 1 1 40 40 SER HA H 40 4.529 4.529 4.301 0.228 19354 5091 1 8 . 1 1 40 40 SER C C 40 173.873 173.873 174.308 -0.435 19354 5092 1 8 . 1 1 40 40 SER CA C 40 57.436 57.436 58.900 -1.464 19354 5093 1 8 . 1 1 40 40 SER CB C 40 63.718 63.718 63.443 0.275 19354 5094 1 8 . 1 1 40 40 SER H H 40 7.533 7.533 8.108 -0.575 19354 5095 1 8 . 1 1 41 41 LYS N N 41 127.456 127.456 127.036 0.420 19354 5096 1 8 . 1 1 41 41 LYS HA H 41 4.056 4.056 4.096 -0.040 19354 5097 1 8 . 1 1 41 41 LYS C C 41 176.632 176.632 176.286 0.346 19354 5098 1 8 . 1 1 41 41 LYS CA C 41 56.409 56.409 56.457 -0.048 19354 5099 1 8 . 1 1 41 41 LYS CB C 41 32.169 32.169 32.819 -0.650 19354 5100 1 8 . 1 1 41 41 LYS H H 41 8.768 8.768 8.369 0.399 19354 5101 1 8 . 1 1 42 42 LEU N N 42 128.016 128.016 123.980 4.036 19354 5102 1 8 . 1 1 42 42 LEU HA H 42 4.120 4.120 4.303 -0.183 19354 5103 1 8 . 1 1 42 42 LEU CA C 42 52.010 52.010 51.318 0.692 19354 5104 1 8 . 1 1 42 42 LEU CB C 42 40.680 40.680 40.200 0.480 19354 5105 1 8 . 1 1 42 42 LEU H H 42 8.304 8.304 8.176 0.128 19354 5106 1 8 . 1 1 43 43 PRO HA H 43 4.453 4.453 4.190 0.263 19354 5107 1 8 . 1 1 43 43 PRO CA C 43 62.807 62.807 63.825 -1.018 19354 5108 1 8 . 1 1 43 43 PRO CB C 43 29.625 29.625 31.547 -1.922 19354 5109 1 8 . 1 1 44 44 TYR N N 44 116.871 116.871 114.510 2.361 19354 5110 1 8 . 1 1 44 44 TYR HA H 44 4.689 4.689 4.831 -0.142 19354 5111 1 8 . 1 1 44 44 TYR C C 44 175.239 175.239 174.869 0.370 19354 5112 1 8 . 1 1 44 44 TYR CA C 44 53.718 53.718 54.789 -1.071 19354 5113 1 8 . 1 1 44 44 TYR CB C 44 38.637 38.637 40.318 -1.681 19354 5114 1 8 . 1 1 44 44 TYR H H 44 6.311 6.311 6.621 -0.310 19354 5115 1 8 . 1 1 45 45 GLU N N 45 118.221 118.221 119.238 -1.017 19354 5116 1 8 . 1 1 45 45 GLU HA H 45 4.138 4.138 4.593 -0.455 19354 5117 1 8 . 1 1 45 45 GLU C C 45 176.282 176.282 174.842 1.440 19354 5118 1 8 . 1 1 45 45 GLU CA C 45 57.502 57.502 55.922 1.579 19354 5119 1 8 . 1 1 45 45 GLU CB C 45 31.105 31.105 30.611 0.494 19354 5120 1 8 . 1 1 45 45 GLU H H 45 8.591 8.591 8.695 -0.104 19354 5121 1 8 . 1 1 46 46 LEU N N 46 119.826 119.826 119.380 0.446 19354 5122 1 8 . 1 1 46 46 LEU HA H 46 4.974 4.974 5.323 -0.349 19354 5123 1 8 . 1 1 46 46 LEU C C 46 175.420 175.420 176.076 -0.656 19354 5124 1 8 . 1 1 46 46 LEU CA C 46 53.202 53.202 53.214 -0.012 19354 5125 1 8 . 1 1 46 46 LEU CB C 46 43.587 43.587 45.666 -2.079 19354 5126 1 8 . 1 1 46 46 LEU H H 46 8.176 8.176 7.565 0.611 19354 5127 1 8 . 1 1 47 47 SER N N 47 111.561 111.561 112.784 -1.223 19354 5128 1 8 . 1 1 47 47 SER HA H 47 5.020 5.020 4.495 0.525 19354 5129 1 8 . 1 1 47 47 SER C C 47 173.833 173.833 172.263 1.570 19354 5130 1 8 . 1 1 47 47 SER CA C 47 53.006 53.006 56.852 -3.846 19354 5131 1 8 . 1 1 47 47 SER CB C 47 64.691 64.691 65.079 -0.388 19354 5132 1 8 . 1 1 47 47 SER H H 47 7.924 7.924 8.385 -0.461 19354 5133 1 8 . 1 1 48 48 SER N N 48 111.459 111.459 119.235 -7.776 19354 5134 1 8 . 1 1 48 48 SER HA H 48 4.841 4.841 4.809 0.032 19354 5135 1 8 . 1 1 48 48 SER C C 48 175.602 175.602 174.601 1.001 19354 5136 1 8 . 1 1 48 48 SER CA C 48 57.388 57.388 56.954 0.434 19354 5137 1 8 . 1 1 48 48 SER CB C 48 66.333 66.333 63.111 3.223 19354 5138 1 8 . 1 1 48 48 SER H H 48 8.628 8.628 8.681 -0.053 19354 5139 1 8 . 1 1 49 49 LEU N N 49 128.995 128.995 130.080 -1.085 19354 5140 1 8 . 1 1 49 49 LEU HA H 49 4.383 4.383 4.448 -0.065 19354 5141 1 8 . 1 1 49 49 LEU C C 49 179.571 179.571 178.336 1.235 19354 5142 1 8 . 1 1 49 49 LEU CA C 49 56.032 56.032 57.413 -1.381 19354 5143 1 8 . 1 1 49 49 LEU CB C 49 41.904 41.904 41.773 0.131 19354 5144 1 8 . 1 1 49 49 LEU H H 49 9.519 9.519 9.331 0.188 19354 5145 1 8 . 1 1 50 50 ASP N N 50 115.013 115.013 118.854 -3.841 19354 5146 1 8 . 1 1 50 50 ASP HA H 50 4.168 4.168 4.421 -0.253 19354 5147 1 8 . 1 1 50 50 ASP C C 50 176.486 176.486 177.787 -1.301 19354 5148 1 8 . 1 1 50 50 ASP CA C 50 58.352 58.352 56.586 1.766 19354 5149 1 8 . 1 1 50 50 ASP CB C 50 41.259 41.259 40.742 0.517 19354 5150 1 8 . 1 1 50 50 ASP H H 50 8.191 8.191 8.221 -0.030 19354 5151 1 8 . 1 1 51 51 LEU N N 51 118.298 118.298 119.030 -0.732 19354 5152 1 8 . 1 1 51 51 LEU HA H 51 4.329 4.329 4.301 0.028 19354 5153 1 8 . 1 1 51 51 LEU C C 51 175.556 175.556 176.073 -0.517 19354 5154 1 8 . 1 1 51 51 LEU CA C 51 54.483 54.483 55.173 -0.690 19354 5155 1 8 . 1 1 51 51 LEU CB C 51 39.219 39.219 42.722 -3.503 19354 5156 1 8 . 1 1 51 51 LEU H H 51 8.732 8.732 7.585 1.147 19354 5157 1 8 . 1 1 52 52 THR N N 52 106.427 106.427 109.866 -3.439 19354 5158 1 8 . 1 1 52 52 THR HA H 52 2.784 2.784 4.497 -1.713 19354 5159 1 8 . 1 1 52 52 THR C C 52 172.812 172.812 173.579 -0.767 19354 5160 1 8 . 1 1 52 52 THR CA C 52 58.759 58.759 60.243 -1.484 19354 5161 1 8 . 1 1 52 52 THR CB C 52 71.985 71.985 71.275 0.710 19354 5162 1 8 . 1 1 52 52 THR H H 52 7.574 7.574 7.462 0.112 19354 5163 1 8 . 1 1 53 53 ASP HA H 53 4.398 4.398 4.737 -0.339 19354 5164 1 8 . 1 1 53 53 ASP CA C 53 52.757 52.757 53.019 -0.262 19354 5165 1 8 . 1 1 53 53 ASP CB C 53 40.737 40.737 40.212 0.525 19354 5166 1 8 . 1 1 54 54 PHE N N 54 117.929 117.929 118.668 -0.739 19354 5167 1 8 . 1 1 54 54 PHE HA H 54 4.498 4.498 4.903 -0.405 19354 5168 1 8 . 1 1 54 54 PHE C C 54 176.169 176.169 175.039 1.130 19354 5169 1 8 . 1 1 54 54 PHE CA C 54 57.477 57.477 56.187 1.290 19354 5170 1 8 . 1 1 54 54 PHE CB C 54 39.270 39.270 41.147 -1.877 19354 5171 1 8 . 1 1 54 54 PHE H H 54 7.575 7.575 7.440 0.135 19354 5172 1 8 . 1 1 55 55 HIS N N 55 115.333 115.333 117.138 -1.805 19354 5173 1 8 . 1 1 55 55 HIS HA H 55 4.585 4.585 4.751 -0.166 19354 5174 1 8 . 1 1 55 55 HIS C C 55 175.080 175.080 174.076 1.004 19354 5175 1 8 . 1 1 55 55 HIS CA C 55 56.439 56.439 56.244 0.195 19354 5176 1 8 . 1 1 55 55 HIS CB C 55 31.104 31.104 31.292 -0.188 19354 5177 1 8 . 1 1 55 55 HIS H H 55 9.230 9.230 8.688 0.542 19354 5178 1 8 . 1 1 56 56 THR N N 56 106.891 106.891 111.480 -4.589 19354 5179 1 8 . 1 1 56 56 THR HA H 56 4.528 4.528 4.303 0.225 19354 5180 1 8 . 1 1 56 56 THR C C 56 173.696 173.696 174.123 -0.427 19354 5181 1 8 . 1 1 56 56 THR CA C 56 58.725 58.725 61.375 -2.650 19354 5182 1 8 . 1 1 56 56 THR CB C 56 72.851 72.851 69.645 3.206 19354 5183 1 8 . 1 1 56 56 THR H H 56 7.343 7.343 7.813 -0.470 19354 5184 1 8 . 1 1 57 57 GLU N N 57 121.798 121.798 124.348 -2.550 19354 5185 1 8 . 1 1 57 57 GLU HA H 57 3.611 3.611 3.867 -0.256 19354 5186 1 8 . 1 1 57 57 GLU C C 57 178.417 178.417 178.234 0.183 19354 5187 1 8 . 1 1 57 57 GLU CA C 57 59.380 59.380 60.433 -1.053 19354 5188 1 8 . 1 1 57 57 GLU CB C 57 29.873 29.873 29.642 0.231 19354 5189 1 8 . 1 1 57 57 GLU H H 57 8.841 8.841 8.768 0.073 19354 5190 1 8 . 1 1 58 58 LYS N N 58 121.091 121.091 117.987 3.104 19354 5191 1 8 . 1 1 58 58 LYS HA H 58 3.903 3.903 3.912 -0.009 19354 5192 1 8 . 1 1 58 58 LYS C C 58 177.745 177.745 178.800 -1.055 19354 5193 1 8 . 1 1 58 58 LYS CA C 58 59.470 59.470 59.153 0.317 19354 5194 1 8 . 1 1 58 58 LYS CB C 58 32.130 32.130 31.750 0.380 19354 5195 1 8 . 1 1 58 58 LYS H H 58 8.307 8.307 7.690 0.617 19354 5196 1 8 . 1 1 59 59 GLU N N 59 117.790 117.790 119.900 -2.110 19354 5197 1 8 . 1 1 59 59 GLU HA H 59 3.852 3.852 4.032 -0.180 19354 5198 1 8 . 1 1 59 59 GLU C C 59 178.051 178.051 178.625 -0.574 19354 5199 1 8 . 1 1 59 59 GLU CA C 59 59.094 59.094 59.506 -0.412 19354 5200 1 8 . 1 1 59 59 GLU CB C 59 30.468 30.468 29.468 1.000 19354 5201 1 8 . 1 1 59 59 GLU H H 59 7.537 7.537 7.864 -0.327 19354 5202 1 8 . 1 1 60 60 LEU N N 60 118.763 118.763 120.681 -1.918 19354 5203 1 8 . 1 1 60 60 LEU HA H 60 3.211 3.211 2.436 0.775 19354 5204 1 8 . 1 1 60 60 LEU C C 60 178.070 178.070 178.305 -0.235 19354 5205 1 8 . 1 1 60 60 LEU CA C 60 59.007 59.007 56.994 2.013 19354 5206 1 8 . 1 1 60 60 LEU CB C 60 42.750 42.750 41.554 1.196 19354 5207 1 8 . 1 1 60 60 LEU H H 60 7.321 7.321 7.024 0.297 19354 5208 1 8 . 1 1 61 61 ASN N N 61 116.987 116.987 116.832 0.155 19354 5209 1 8 . 1 1 61 61 ASN HA H 61 4.127 4.127 4.314 -0.187 19354 5210 1 8 . 1 1 61 61 ASN C C 61 177.689 177.689 177.986 -0.297 19354 5211 1 8 . 1 1 61 61 ASN CA C 61 57.310 57.310 56.356 0.954 19354 5212 1 8 . 1 1 61 61 ASN CB C 61 39.288 39.288 38.570 0.718 19354 5213 1 8 . 1 1 61 61 ASN H H 61 8.335 8.335 7.970 0.365 19354 5214 1 8 . 1 1 62 62 ASP N N 62 120.935 120.935 120.742 0.193 19354 5215 1 8 . 1 1 62 62 ASP HA H 62 4.306 4.306 4.389 -0.083 19354 5216 1 8 . 1 1 62 62 ASP C C 62 178.868 178.868 178.296 0.572 19354 5217 1 8 . 1 1 62 62 ASP CA C 62 57.510 57.510 57.065 0.445 19354 5218 1 8 . 1 1 62 62 ASP CB C 62 39.596 39.596 40.342 -0.746 19354 5219 1 8 . 1 1 62 62 ASP H H 62 8.376 8.376 8.413 -0.037 19354 5220 1 8 . 1 1 63 63 LYS N N 63 119.626 119.626 120.425 -0.799 19354 5221 1 8 . 1 1 63 63 LYS HA H 63 4.168 4.168 4.112 0.056 19354 5222 1 8 . 1 1 63 63 LYS C C 63 179.458 179.458 178.733 0.725 19354 5223 1 8 . 1 1 63 63 LYS CA C 63 55.698 55.698 59.109 -3.411 19354 5224 1 8 . 1 1 63 63 LYS CB C 63 31.082 31.082 32.179 -1.097 19354 5225 1 8 . 1 1 63 63 LYS H H 63 7.748 7.748 8.038 -0.290 19354 5226 1 8 . 1 1 64 64 LEU N N 64 120.255 120.255 119.118 1.137 19354 5227 1 8 . 1 1 64 64 LEU HA H 64 3.688 3.688 4.059 -0.371 19354 5228 1 8 . 1 1 64 64 LEU C C 64 178.732 178.732 178.576 0.156 19354 5229 1 8 . 1 1 64 64 LEU CA C 64 57.722 57.722 57.961 -0.238 19354 5230 1 8 . 1 1 64 64 LEU CB C 64 41.236 41.236 41.112 0.124 19354 5231 1 8 . 1 1 64 64 LEU H H 64 8.221 8.221 7.575 0.646 19354 5232 1 8 . 1 1 65 65 ASN N N 65 113.630 113.630 117.660 -4.030 19354 5233 1 8 . 1 1 65 65 ASN HA H 65 4.580 4.580 4.476 0.104 19354 5234 1 8 . 1 1 65 65 ASN C C 65 178.394 178.394 177.709 0.685 19354 5235 1 8 . 1 1 65 65 ASN CA C 65 55.628 55.628 56.546 -0.918 19354 5236 1 8 . 1 1 65 65 ASN CB C 65 38.269 38.269 37.844 0.424 19354 5237 1 8 . 1 1 65 65 ASN H H 65 7.482 7.482 8.068 -0.586 19354 5238 1 8 . 1 1 66 66 ASP N N 66 120.683 120.683 119.096 1.587 19354 5239 1 8 . 1 1 66 66 ASP HA H 66 4.482 4.482 4.468 0.014 19354 5240 1 8 . 1 1 66 66 ASP C C 66 179.095 179.095 178.277 0.818 19354 5241 1 8 . 1 1 66 66 ASP CA C 66 56.623 56.623 57.517 -0.894 19354 5242 1 8 . 1 1 66 66 ASP CB C 66 39.883 39.883 40.950 -1.067 19354 5243 1 8 . 1 1 66 66 ASP H H 66 7.834 7.834 8.448 -0.614 19354 5244 1 8 . 1 1 67 67 TYR N N 67 116.512 116.512 118.953 -2.441 19354 5245 1 8 . 1 1 67 67 TYR HA H 67 3.984 3.984 4.504 -0.520 19354 5246 1 8 . 1 1 67 67 TYR C C 67 176.554 176.554 177.602 -1.048 19354 5247 1 8 . 1 1 67 67 TYR CA C 67 62.142 62.142 59.889 2.253 19354 5248 1 8 . 1 1 67 67 TYR CB C 67 37.436 37.436 38.283 -0.847 19354 5249 1 8 . 1 1 67 67 TYR H H 67 8.132 8.132 7.925 0.207 19354 5250 1 8 . 1 1 68 68 TYR N N 68 118.786 118.786 121.087 -2.301 19354 5251 1 8 . 1 1 68 68 TYR HA H 68 3.632 3.632 3.171 0.461 19354 5252 1 8 . 1 1 68 68 TYR C C 68 177.915 177.915 177.787 0.128 19354 5253 1 8 . 1 1 68 68 TYR CA C 68 61.395 61.395 61.838 -0.443 19354 5254 1 8 . 1 1 68 68 TYR CB C 68 37.345 37.345 37.228 0.117 19354 5255 1 8 . 1 1 68 68 TYR H H 68 7.558 7.558 8.262 -0.704 19354 5256 1 8 . 1 1 69 69 ALA N N 69 120.715 120.715 122.102 -1.387 19354 5257 1 8 . 1 1 69 69 ALA HA H 69 3.935 3.935 3.901 0.034 19354 5258 1 8 . 1 1 69 69 ALA C C 69 179.390 179.390 179.279 0.111 19354 5259 1 8 . 1 1 69 69 ALA CA C 69 54.015 54.015 54.743 -0.728 19354 5260 1 8 . 1 1 69 69 ALA CB C 69 18.529 18.529 17.796 0.733 19354 5261 1 8 . 1 1 69 69 ALA H H 69 7.453 7.453 7.776 -0.323 19354 5262 1 8 . 1 1 70 70 LEU N N 70 117.212 117.212 119.273 -2.061 19354 5263 1 8 . 1 1 70 70 LEU HA H 70 3.765 3.765 3.949 -0.184 19354 5264 1 8 . 1 1 70 70 LEU C C 70 177.280 177.280 178.025 -0.745 19354 5265 1 8 . 1 1 70 70 LEU CA C 70 56.634 56.634 56.930 -0.296 19354 5266 1 8 . 1 1 70 70 LEU CB C 70 41.045 41.045 41.763 -0.718 19354 5267 1 8 . 1 1 70 70 LEU H H 70 7.764 7.764 8.180 -0.416 19354 5268 1 8 . 1 1 71 71 LYS N N 71 118.756 118.756 118.700 0.056 19354 5269 1 8 . 1 1 71 71 LYS HA H 71 3.039 3.039 3.409 -0.370 19354 5270 1 8 . 1 1 71 71 LYS C C 71 177.121 177.121 177.835 -0.714 19354 5271 1 8 . 1 1 71 71 LYS CA C 71 58.865 58.865 58.675 0.190 19354 5272 1 8 . 1 1 71 71 LYS CB C 71 31.247 31.247 31.038 0.209 19354 5273 1 8 . 1 1 71 71 LYS H H 71 7.001 7.001 7.982 -0.981 19354 5274 1 8 . 1 1 72 72 HIS N N 72 113.331 113.331 117.942 -4.611 19354 5275 1 8 . 1 1 72 72 HIS HA H 72 4.304 4.304 4.276 0.028 19354 5276 1 8 . 1 1 72 72 HIS C C 72 174.232 174.232 175.896 -1.664 19354 5277 1 8 . 1 1 72 72 HIS CA C 72 57.245 57.245 57.736 -0.491 19354 5278 1 8 . 1 1 72 72 HIS CB C 72 30.221 30.221 30.220 0.001 19354 5279 1 8 . 1 1 72 72 HIS H H 72 6.973 6.973 7.515 -0.542 19354 5280 1 8 . 1 1 73 73 VAL N N 73 121.486 121.486 120.239 1.247 19354 5281 1 8 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.453 0.078 19354 5282 1 8 . 1 1 73 73 VAL CA C 73 59.159 59.159 58.666 0.493 19354 5283 1 8 . 1 1 73 73 VAL CB C 73 30.604 30.604 31.880 -1.276 19354 5284 1 8 . 1 1 73 73 VAL H H 73 7.821 7.821 8.028 -0.207 19354 5285 1 8 . 1 1 74 74 PRO HA H 74 4.070 4.070 4.630 -0.560 19354 5286 1 8 . 1 1 74 74 PRO CA C 74 66.637 66.637 65.147 1.490 19354 5287 1 8 . 1 1 74 74 PRO CB C 74 32.212 32.212 32.163 0.049 19354 5288 1 8 . 1 1 75 75 LYS N N 75 116.832 116.832 117.713 -0.881 19354 5289 1 8 . 1 1 75 75 LYS HA H 75 4.099 4.099 4.143 -0.044 19354 5290 1 8 . 1 1 75 75 LYS C C 75 180.048 180.048 177.200 2.848 19354 5291 1 8 . 1 1 75 75 LYS CA C 75 59.398 59.398 58.720 0.678 19354 5292 1 8 . 1 1 75 75 LYS CB C 75 31.296 31.296 31.429 -0.133 19354 5293 1 8 . 1 1 75 75 LYS H H 75 9.234 9.234 8.722 0.512 19354 5294 1 8 . 1 1 76 76 CYS N N 76 116.333 116.333 117.358 -1.025 19354 5295 1 8 . 1 1 76 76 CYS HA H 76 4.320 4.320 4.806 -0.486 19354 5296 1 8 . 1 1 76 76 CYS C C 76 175.012 175.012 175.576 -0.564 19354 5297 1 8 . 1 1 76 76 CYS CA C 76 58.297 58.297 59.525 -1.228 19354 5298 1 8 . 1 1 76 76 CYS CB C 76 38.803 38.803 29.355 9.448 19354 5299 1 8 . 1 1 76 76 CYS H H 76 7.496 7.496 7.601 -0.105 19354 5300 1 8 . 1 1 77 77 TRP N N 77 119.987 119.987 123.639 -3.652 19354 5301 1 8 . 1 1 77 77 TRP HA H 77 4.452 4.452 4.358 0.094 19354 5302 1 8 . 1 1 77 77 TRP C C 77 177.462 177.462 177.634 -0.172 19354 5303 1 8 . 1 1 77 77 TRP CA C 77 58.821 58.821 60.212 -1.391 19354 5304 1 8 . 1 1 77 77 TRP CB C 77 30.425 30.425 29.385 1.040 19354 5305 1 8 . 1 1 77 77 TRP H H 77 8.254 8.254 8.795 -0.541 19354 5306 1 8 . 1 1 78 78 ALA N N 78 116.093 116.093 119.322 -3.229 19354 5307 1 8 . 1 1 78 78 ALA HA H 78 3.736 3.736 3.593 0.143 19354 5308 1 8 . 1 1 78 78 ALA C C 78 178.845 178.845 178.034 0.811 19354 5309 1 8 . 1 1 78 78 ALA CA C 78 54.188 54.188 53.565 0.623 19354 5310 1 8 . 1 1 78 78 ALA CB C 78 18.323 18.323 17.873 0.450 19354 5311 1 8 . 1 1 78 78 ALA H H 78 7.968 7.968 7.700 0.268 19354 5312 1 8 . 1 1 79 79 ALA N N 79 116.351 116.351 121.316 -4.965 19354 5313 1 8 . 1 1 79 79 ALA HA H 79 4.147 4.147 4.163 -0.016 19354 5314 1 8 . 1 1 79 79 ALA C C 79 178.414 178.414 178.529 -0.115 19354 5315 1 8 . 1 1 79 79 ALA CA C 79 53.243 53.243 54.160 -0.916 19354 5316 1 8 . 1 1 79 79 ALA CB C 79 19.832 19.832 19.571 0.261 19354 5317 1 8 . 1 1 79 79 ALA H H 79 6.929 6.929 7.453 -0.524 19354 5318 1 8 . 1 1 80 80 ILE N N 80 115.150 115.150 117.772 -2.622 19354 5319 1 8 . 1 1 80 80 ILE HA H 80 4.218 4.218 3.883 0.335 19354 5320 1 8 . 1 1 80 80 ILE C C 80 176.350 176.350 176.465 -0.115 19354 5321 1 8 . 1 1 80 80 ILE CA C 80 62.069 62.069 60.500 1.569 19354 5322 1 8 . 1 1 80 80 ILE CB C 80 39.375 39.375 37.765 1.610 19354 5323 1 8 . 1 1 80 80 ILE H H 80 8.695 8.695 7.625 1.070 19354 5324 1 8 . 1 1 81 81 GLN N N 81 122.564 122.564 121.068 1.496 19354 5325 1 8 . 1 1 81 81 GLN HA H 81 3.332 3.332 4.012 -0.680 19354 5326 1 8 . 1 1 81 81 GLN C C 81 173.470 173.470 175.336 -1.866 19354 5327 1 8 . 1 1 81 81 GLN CA C 81 61.829 61.829 60.801 1.028 19354 5328 1 8 . 1 1 81 81 GLN CB C 81 25.973 25.973 26.981 -1.008 19354 5329 1 8 . 1 1 81 81 GLN H H 81 7.315 7.315 7.572 -0.257 19354 5330 1 8 . 1 1 82 82 PRO HA H 82 4.076 4.076 4.243 -0.167 19354 5331 1 8 . 1 1 82 82 PRO CA C 82 65.894 65.894 64.727 1.167 19354 5332 1 8 . 1 1 82 82 PRO CB C 82 30.481 30.481 31.530 -1.049 19354 5333 1 8 . 1 1 83 83 PHE N N 83 119.137 119.137 118.937 0.200 19354 5334 1 8 . 1 1 83 83 PHE HA H 83 4.289 4.289 4.342 -0.053 19354 5335 1 8 . 1 1 83 83 PHE C C 83 175.919 175.919 175.739 0.180 19354 5336 1 8 . 1 1 83 83 PHE CA C 83 59.712 59.712 56.950 2.762 19354 5337 1 8 . 1 1 83 83 PHE CB C 83 39.329 39.329 38.976 0.353 19354 5338 1 8 . 1 1 83 83 PHE H H 83 6.892 6.892 7.668 -0.776 19354 5339 1 8 . 1 1 84 84 LEU N N 84 116.693 116.693 119.755 -3.062 19354 5340 1 8 . 1 1 84 84 LEU HA H 84 3.611 3.611 3.227 0.384 19354 5341 1 8 . 1 1 84 84 LEU C C 84 180.297 180.297 177.463 2.834 19354 5342 1 8 . 1 1 84 84 LEU CA C 84 57.952 57.952 57.191 0.762 19354 5343 1 8 . 1 1 84 84 LEU CB C 84 41.645 41.645 40.571 1.074 19354 5344 1 8 . 1 1 84 84 LEU H H 84 8.589 8.589 7.799 0.790 19354 5345 1 8 . 1 1 85 85 CYS N N 85 115.085 115.085 114.946 0.139 19354 5346 1 8 . 1 1 85 85 CYS HA H 85 4.127 4.127 4.267 -0.140 19354 5347 1 8 . 1 1 85 85 CYS C C 85 175.556 175.556 176.326 -0.770 19354 5348 1 8 . 1 1 85 85 CYS CA C 85 57.678 57.678 60.345 -2.667 19354 5349 1 8 . 1 1 85 85 CYS CB C 85 39.396 39.396 27.283 12.113 19354 5350 1 8 . 1 1 85 85 CYS H H 85 8.001 8.001 7.210 0.791 19354 5351 1 8 . 1 1 86 86 ALA N N 86 121.743 121.743 121.691 0.052 19354 5352 1 8 . 1 1 86 86 ALA HA H 86 3.922 3.922 4.319 -0.397 19354 5353 1 8 . 1 1 86 86 ALA C C 86 177.745 177.745 177.112 0.633 19354 5354 1 8 . 1 1 86 86 ALA CA C 86 54.306 54.306 53.623 0.683 19354 5355 1 8 . 1 1 86 86 ALA CB C 86 18.778 18.778 18.495 0.283 19354 5356 1 8 . 1 1 86 86 ALA H H 86 7.671 7.671 7.557 0.114 19354 5357 1 8 . 1 1 87 87 VAL N N 87 115.667 115.667 115.367 0.300 19354 5358 1 8 . 1 1 87 87 VAL HA H 87 3.735 3.735 3.556 0.179 19354 5359 1 8 . 1 1 87 87 VAL C C 87 175.806 175.806 175.083 0.723 19354 5360 1 8 . 1 1 87 87 VAL CA C 87 64.622 64.622 62.866 1.756 19354 5361 1 8 . 1 1 87 87 VAL CB C 87 32.936 32.936 31.560 1.376 19354 5362 1 8 . 1 1 87 87 VAL H H 87 7.460 7.460 7.058 0.402 19354 5363 1 8 . 1 1 88 88 PHE N N 88 115.306 115.306 116.807 -1.501 19354 5364 1 8 . 1 1 88 88 PHE HA H 88 4.048 4.048 4.713 -0.665 19354 5365 1 8 . 1 1 88 88 PHE C C 88 176.192 176.192 175.406 0.786 19354 5366 1 8 . 1 1 88 88 PHE CA C 88 60.420 60.420 58.414 2.006 19354 5367 1 8 . 1 1 88 88 PHE CB C 88 40.182 40.182 40.248 -0.066 19354 5368 1 8 . 1 1 88 88 PHE H H 88 8.930 8.930 6.990 1.940 19354 5369 1 8 . 1 1 89 89 LYS N N 89 115.470 115.470 119.737 -4.267 19354 5370 1 8 . 1 1 89 89 LYS HA H 89 4.816 4.816 4.832 -0.016 19354 5371 1 8 . 1 1 89 89 LYS C C 89 184.176 184.176 174.129 10.047 19354 5372 1 8 . 1 1 89 89 LYS CA C 89 53.428 53.428 52.696 0.732 19354 5373 1 8 . 1 1 89 89 LYS CB C 89 33.274 33.274 31.745 1.529 19354 5374 1 8 . 1 1 89 89 LYS H H 89 7.802 7.802 7.535 0.267 19354 5375 1 8 . 1 1 90 90 PRO HA H 90 4.250 4.250 4.297 -0.047 19354 5376 1 8 . 1 1 90 90 PRO CA C 90 62.682 62.682 62.384 0.298 19354 5377 1 8 . 1 1 90 90 PRO CB C 90 32.358 32.358 32.262 0.096 19354 5378 1 8 . 1 1 91 91 LYS N N 91 122.391 122.391 123.004 -0.613 19354 5379 1 8 . 1 1 91 91 LYS HA H 91 3.039 3.039 2.878 0.161 19354 5380 1 8 . 1 1 91 91 LYS C C 91 173.356 173.356 175.452 -2.096 19354 5381 1 8 . 1 1 91 91 LYS CA C 91 58.027 58.027 55.899 2.128 19354 5382 1 8 . 1 1 91 91 LYS CB C 91 31.285 31.285 31.719 -0.434 19354 5383 1 8 . 1 1 91 91 LYS H H 91 8.537 8.537 8.272 0.265 19354 5384 1 8 . 1 1 92 92 CYS N N 92 127.562 127.562 126.950 0.612 19354 5385 1 8 . 1 1 92 92 CYS HA H 92 5.391 5.391 4.704 0.687 19354 5386 1 8 . 1 1 92 92 CYS C C 92 171.655 171.655 173.618 -1.963 19354 5387 1 8 . 1 1 92 92 CYS CA C 92 53.804 53.804 57.720 -3.916 19354 5388 1 8 . 1 1 92 92 CYS CB C 92 41.219 41.219 26.683 14.536 19354 5389 1 8 . 1 1 92 92 CYS H H 92 7.037 7.037 8.004 -0.967 19354 5390 1 8 . 1 1 93 93 GLU N N 93 124.483 124.483 127.602 -3.119 19354 5391 1 8 . 1 1 93 93 GLU HA H 93 4.492 4.492 4.673 -0.181 19354 5392 1 8 . 1 1 93 93 GLU C C 93 173.371 173.371 174.692 -1.321 19354 5393 1 8 . 1 1 93 93 GLU CA C 93 54.874 54.874 54.458 0.416 19354 5394 1 8 . 1 1 93 93 GLU CB C 93 34.630 34.630 32.288 2.342 19354 5395 1 8 . 1 1 93 93 GLU H H 93 9.401 9.401 7.853 1.548 19354 5396 1 8 . 1 1 94 94 LYS N N 94 122.694 122.694 120.754 1.940 19354 5397 1 8 . 1 1 94 94 LYS HA H 94 4.581 4.581 4.773 -0.192 19354 5398 1 8 . 1 1 94 94 LYS C C 94 176.509 176.509 176.476 0.033 19354 5399 1 8 . 1 1 94 94 LYS CA C 94 55.856 55.856 55.514 0.341 19354 5400 1 8 . 1 1 94 94 LYS CB C 94 31.809 31.809 33.028 -1.219 19354 5401 1 8 . 1 1 94 94 LYS H H 94 8.526 8.526 8.518 0.008 19354 5402 1 8 . 1 1 95 95 ILE N N 95 128.382 128.382 127.347 1.035 19354 5403 1 8 . 1 1 95 95 ILE HA H 95 4.049 4.049 4.173 -0.124 19354 5404 1 8 . 1 1 95 95 ILE C C 95 176.337 176.337 176.079 0.258 19354 5405 1 8 . 1 1 95 95 ILE CA C 95 60.847 60.847 61.464 -0.617 19354 5406 1 8 . 1 1 95 95 ILE CB C 95 39.625 39.625 38.220 1.405 19354 5407 1 8 . 1 1 95 95 ILE H H 95 9.001 9.001 8.567 0.434 19354 5408 1 8 . 1 1 96 96 ASN N N 96 127.596 127.596 126.466 1.130 19354 5409 1 8 . 1 1 96 96 ASN HA H 96 4.212 4.212 4.357 -0.145 19354 5410 1 8 . 1 1 96 96 ASN C C 96 175.496 175.496 175.533 -0.037 19354 5411 1 8 . 1 1 96 96 ASN CA C 96 53.970 53.970 53.959 0.011 19354 5412 1 8 . 1 1 96 96 ASN CB C 96 37.238 37.238 36.228 1.010 19354 5413 1 8 . 1 1 96 96 ASN H H 96 9.474 9.474 9.453 0.021 19354 5414 1 8 . 1 1 97 97 GLY N N 97 101.656 101.656 104.842 -3.186 19354 5415 1 8 . 1 1 97 97 GLY C C 97 173.651 173.651 173.422 0.229 19354 5416 1 8 . 1 1 97 97 GLY CA C 97 45.167 45.167 44.989 0.178 19354 5417 1 8 . 1 1 97 97 GLY H H 97 8.476 8.476 8.105 0.371 19354 5418 1 8 . 1 1 98 98 GLU N N 98 120.042 120.042 121.401 -1.359 19354 5419 1 8 . 1 1 98 98 GLU HA H 98 4.587 4.587 4.483 0.104 19354 5420 1 8 . 1 1 98 98 GLU C C 98 174.422 174.422 175.069 -0.647 19354 5421 1 8 . 1 1 98 98 GLU CA C 98 54.294 54.294 54.483 -0.188 19354 5422 1 8 . 1 1 98 98 GLU CB C 98 32.934 32.934 31.534 1.401 19354 5423 1 8 . 1 1 98 98 GLU H H 98 7.591 7.591 8.016 -0.425 19354 5424 1 8 . 1 1 99 99 ASP N N 99 126.603 126.603 126.910 -0.307 19354 5425 1 8 . 1 1 99 99 ASP HA H 99 4.340 4.340 4.438 -0.098 19354 5426 1 8 . 1 1 99 99 ASP C C 99 176.214 176.214 175.688 0.526 19354 5427 1 8 . 1 1 99 99 ASP CA C 99 55.408 55.408 55.889 -0.481 19354 5428 1 8 . 1 1 99 99 ASP CB C 99 41.629 41.629 40.473 1.156 19354 5429 1 8 . 1 1 99 99 ASP H H 99 8.489 8.489 8.723 -0.234 19354 5430 1 8 . 1 1 100 100 MET N N 100 121.977 121.977 121.550 0.427 19354 5431 1 8 . 1 1 100 100 MET HA H 100 4.911 4.911 5.423 -0.512 19354 5432 1 8 . 1 1 100 100 MET C C 100 172.900 172.900 174.784 -1.884 19354 5433 1 8 . 1 1 100 100 MET CA C 100 53.649 53.649 53.499 0.150 19354 5434 1 8 . 1 1 100 100 MET CB C 100 35.529 35.529 36.969 -1.440 19354 5435 1 8 . 1 1 100 100 MET H H 100 8.853 8.853 8.729 0.124 19354 5436 1 8 . 1 1 101 101 VAL N N 101 119.963 119.963 112.459 7.504 19354 5437 1 8 . 1 1 101 101 VAL HA H 101 4.814 4.814 4.358 0.456 19354 5438 1 8 . 1 1 101 101 VAL C C 101 172.991 172.991 173.334 -0.343 19354 5439 1 8 . 1 1 101 101 VAL CA C 101 58.203 58.203 59.905 -1.702 19354 5440 1 8 . 1 1 101 101 VAL CB C 101 34.629 34.629 35.006 -0.377 19354 5441 1 8 . 1 1 101 101 VAL H H 101 8.964 8.964 8.002 0.962 19354 5442 1 8 . 1 1 102 102 TYR N N 102 125.849 125.849 122.651 3.198 19354 5443 1 8 . 1 1 102 102 TYR HA H 102 4.444 4.444 4.935 -0.491 19354 5444 1 8 . 1 1 102 102 TYR C C 102 176.464 176.464 176.052 0.412 19354 5445 1 8 . 1 1 102 102 TYR CA C 102 57.549 57.549 57.273 0.276 19354 5446 1 8 . 1 1 102 102 TYR CB C 102 38.274 38.274 40.181 -1.907 19354 5447 1 8 . 1 1 102 102 TYR H H 102 8.137 8.137 7.749 0.388 19354 5448 1 8 . 1 1 103 103 LEU N N 103 123.151 123.151 121.924 1.227 19354 5449 1 8 . 1 1 103 103 LEU HA H 103 4.683 4.683 4.955 -0.272 19354 5450 1 8 . 1 1 103 103 LEU CA C 103 52.426 52.426 51.048 1.378 19354 5451 1 8 . 1 1 103 103 LEU CB C 103 42.038 42.038 41.807 0.231 19354 5452 1 8 . 1 1 103 103 LEU H H 103 8.308 8.308 8.000 0.308 19354 5453 1 8 . 1 1 104 104 PRO HA H 104 4.678 4.678 4.481 0.197 19354 5454 1 8 . 1 1 104 104 PRO CA C 104 61.704 61.704 62.745 -1.041 19354 5455 1 8 . 1 1 104 104 PRO CB C 104 32.020 32.020 31.947 0.073 19354 5456 1 8 . 1 1 105 105 SER N N 105 113.955 113.955 117.562 -3.607 19354 5457 1 8 . 1 1 105 105 SER HA H 105 4.632 4.632 4.568 0.064 19354 5458 1 8 . 1 1 105 105 SER C C 105 175.473 175.473 176.010 -0.537 19354 5459 1 8 . 1 1 105 105 SER CA C 105 56.324 56.324 57.822 -1.498 19354 5460 1 8 . 1 1 105 105 SER CB C 105 65.193 65.193 64.973 0.220 19354 5461 1 8 . 1 1 105 105 SER H H 105 7.668 7.668 8.486 -0.818 19354 5462 1 8 . 1 1 106 106 TYR N N 106 122.582 122.582 120.365 2.217 19354 5463 1 8 . 1 1 106 106 TYR HA H 106 3.724 3.724 4.095 -0.371 19354 5464 1 8 . 1 1 106 106 TYR C C 106 178.116 178.116 177.442 0.674 19354 5465 1 8 . 1 1 106 106 TYR CA C 106 62.057 62.057 60.572 1.486 19354 5466 1 8 . 1 1 106 106 TYR CB C 106 37.925 37.925 37.344 0.581 19354 5467 1 8 . 1 1 106 106 TYR H H 106 8.492 8.492 9.095 -0.603 19354 5468 1 8 . 1 1 107 107 GLU N N 107 118.362 118.362 119.742 -1.380 19354 5469 1 8 . 1 1 107 107 GLU HA H 107 3.846 3.846 3.543 0.303 19354 5470 1 8 . 1 1 107 107 GLU C C 107 177.421 177.421 178.888 -1.467 19354 5471 1 8 . 1 1 107 107 GLU CA C 107 58.867 58.867 59.509 -0.642 19354 5472 1 8 . 1 1 107 107 GLU CB C 107 28.969 28.969 28.633 0.337 19354 5473 1 8 . 1 1 107 107 GLU H H 107 8.503 8.503 8.032 0.471 19354 5474 1 8 . 1 1 108 108 MET N N 108 116.221 116.221 117.719 -1.498 19354 5475 1 8 . 1 1 108 108 MET HA H 108 3.708 3.708 3.948 -0.240 19354 5476 1 8 . 1 1 108 108 MET C C 108 176.804 176.804 178.412 -1.608 19354 5477 1 8 . 1 1 108 108 MET CA C 108 58.648 58.648 57.926 0.722 19354 5478 1 8 . 1 1 108 108 MET CB C 108 33.058 33.058 31.316 1.742 19354 5479 1 8 . 1 1 108 108 MET H H 108 7.409 7.409 7.514 -0.105 19354 5480 1 8 . 1 1 109 109 CYS N N 109 114.131 114.131 116.769 -2.638 19354 5481 1 8 . 1 1 109 109 CYS HA H 109 3.857 3.857 3.737 0.120 19354 5482 1 8 . 1 1 109 109 CYS C C 109 178.047 178.047 177.538 0.509 19354 5483 1 8 . 1 1 109 109 CYS CA C 109 58.737 58.737 60.886 -2.149 19354 5484 1 8 . 1 1 109 109 CYS CB C 109 35.006 35.006 25.650 9.356 19354 5485 1 8 . 1 1 109 109 CYS H H 109 6.817 6.817 7.712 -0.895 19354 5486 1 8 . 1 1 110 110 ARG N N 110 124.629 124.629 119.949 4.680 19354 5487 1 8 . 1 1 110 110 ARG HA H 110 3.376 3.376 3.993 -0.617 19354 5488 1 8 . 1 1 110 110 ARG C C 110 179.435 179.435 178.349 1.086 19354 5489 1 8 . 1 1 110 110 ARG CA C 110 59.641 59.641 58.498 1.143 19354 5490 1 8 . 1 1 110 110 ARG CB C 110 29.273 29.273 29.355 -0.082 19354 5491 1 8 . 1 1 110 110 ARG H H 110 8.885 8.885 7.970 0.915 19354 5492 1 8 . 1 1 111 111 ILE N N 111 113.379 113.379 118.656 -5.277 19354 5493 1 8 . 1 1 111 111 ILE HA H 111 3.796 3.796 3.702 0.094 19354 5494 1 8 . 1 1 111 111 ILE C C 111 175.624 175.624 176.457 -0.833 19354 5495 1 8 . 1 1 111 111 ILE CA C 111 63.811 63.811 64.361 -0.550 19354 5496 1 8 . 1 1 111 111 ILE CB C 111 38.229 38.229 37.659 0.570 19354 5497 1 8 . 1 1 111 111 ILE H H 111 7.422 7.422 7.956 -0.534 19354 5498 1 8 . 1 1 112 112 THR N N 112 109.403 109.403 108.528 0.875 19354 5499 1 8 . 1 1 112 112 THR HA H 112 3.889 3.889 4.251 -0.362 19354 5500 1 8 . 1 1 112 112 THR C C 112 175.798 175.798 176.360 -0.562 19354 5501 1 8 . 1 1 112 112 THR CA C 112 62.856 62.856 64.019 -1.163 19354 5502 1 8 . 1 1 112 112 THR CB C 112 70.168 70.168 69.850 0.318 19354 5503 1 8 . 1 1 112 112 THR H H 112 7.574 7.574 7.291 0.283 19354 5504 1 8 . 1 1 113 113 MET N N 113 119.638 119.638 121.889 -2.251 19354 5505 1 8 . 1 1 113 113 MET HA H 113 3.541 3.541 4.341 -0.800 19354 5506 1 8 . 1 1 113 113 MET C C 113 177.174 177.174 178.109 -0.935 19354 5507 1 8 . 1 1 113 113 MET CA C 113 60.235 60.235 59.305 0.930 19354 5508 1 8 . 1 1 113 113 MET CB C 113 32.338 32.338 32.426 -0.088 19354 5509 1 8 . 1 1 113 113 MET H H 113 7.152 7.152 7.451 -0.299 19354 5510 1 8 . 1 1 114 114 GLU N N 114 117.224 117.224 119.698 -2.474 19354 5511 1 8 . 1 1 114 114 GLU HA H 114 4.114 4.114 4.095 0.019 19354 5512 1 8 . 1 1 114 114 GLU CA C 114 60.422 60.422 60.841 -0.419 19354 5513 1 8 . 1 1 114 114 GLU CB C 114 26.103 26.103 28.148 -2.045 19354 5514 1 8 . 1 1 114 114 GLU H H 114 8.580 8.580 8.203 0.377 19354 5515 1 8 . 1 1 115 115 PRO HA H 115 4.304 4.304 4.360 -0.056 19354 5516 1 8 . 1 1 115 115 PRO CA C 115 65.128 65.128 63.905 1.223 19354 5517 1 8 . 1 1 115 115 PRO CB C 115 31.141 31.141 32.022 -0.881 19354 5518 1 8 . 1 1 116 116 CYS N N 116 111.879 111.879 121.350 -9.471 19354 5519 1 8 . 1 1 116 116 CYS HA H 116 4.679 4.679 4.732 -0.053 19354 5520 1 8 . 1 1 116 116 CYS C C 116 174.808 174.808 175.913 -1.105 19354 5521 1 8 . 1 1 116 116 CYS CA C 116 54.060 54.060 58.229 -4.169 19354 5522 1 8 . 1 1 116 116 CYS CB C 116 42.879 42.879 26.087 16.791 19354 5523 1 8 . 1 1 116 116 CYS H H 116 7.208 7.208 8.110 -0.902 19354 5524 1 8 . 1 1 117 117 ARG N N 117 123.750 123.750 125.188 -1.438 19354 5525 1 8 . 1 1 117 117 ARG HA H 117 3.161 3.161 3.942 -0.781 19354 5526 1 8 . 1 1 117 117 ARG C C 117 178.210 178.210 176.207 2.003 19354 5527 1 8 . 1 1 117 117 ARG CA C 117 59.743 59.743 58.611 1.131 19354 5528 1 8 . 1 1 117 117 ARG CB C 117 29.486 29.486 30.149 -0.663 19354 5529 1 8 . 1 1 117 117 ARG H H 117 7.436 7.436 8.062 -0.626 19354 5530 1 8 . 1 1 118 118 ILE N N 118 116.384 116.384 117.973 -1.589 19354 5531 1 8 . 1 1 118 118 ILE HA H 118 4.000 4.000 3.830 0.170 19354 5532 1 8 . 1 1 118 118 ILE C C 118 176.577 176.577 176.504 0.073 19354 5533 1 8 . 1 1 118 118 ILE CA C 118 63.166 63.166 61.359 1.807 19354 5534 1 8 . 1 1 118 118 ILE CB C 118 37.781 37.781 36.167 1.614 19354 5535 1 8 . 1 1 118 118 ILE H H 118 8.130 8.130 7.806 0.324 19354 5536 1 8 . 1 1 119 119 LEU N N 119 119.738 119.738 119.790 -0.052 19354 5537 1 8 . 1 1 119 119 LEU HA H 119 4.540 4.540 4.471 0.069 19354 5538 1 8 . 1 1 119 119 LEU C C 119 178.346 178.346 177.611 0.735 19354 5539 1 8 . 1 1 119 119 LEU CA C 119 54.697 54.697 53.645 1.052 19354 5540 1 8 . 1 1 119 119 LEU CB C 119 42.872 42.872 39.783 3.089 19354 5541 1 8 . 1 1 119 119 LEU H H 119 7.771 7.771 7.343 0.428 19354 5542 1 8 . 1 1 120 120 TYR N N 120 121.945 121.945 118.951 2.994 19354 5543 1 8 . 1 1 120 120 TYR HA H 120 4.125 4.125 4.122 0.003 19354 5544 1 8 . 1 1 120 120 TYR C C 120 176.169 176.169 176.410 -0.241 19354 5545 1 8 . 1 1 120 120 TYR CA C 120 59.682 59.682 61.065 -1.383 19354 5546 1 8 . 1 1 120 120 TYR CB C 120 37.180 37.180 38.706 -1.526 19354 5547 1 8 . 1 1 120 120 TYR H H 120 7.886 7.886 7.621 0.265 19354 5548 1 8 . 1 1 121 121 ASN N N 121 115.992 115.992 110.707 5.285 19354 5549 1 8 . 1 1 121 121 ASN HA H 121 4.885 4.885 4.724 0.161 19354 5550 1 8 . 1 1 121 121 ASN C C 121 175.612 175.612 174.792 0.820 19354 5551 1 8 . 1 1 121 121 ASN CA C 121 52.670 52.670 53.120 -0.450 19354 5552 1 8 . 1 1 121 121 ASN CB C 121 38.058 38.058 38.348 -0.290 19354 5553 1 8 . 1 1 121 121 ASN H H 121 8.228 8.228 8.405 -0.177 19354 5554 1 8 . 1 1 122 122 THR N N 122 109.094 109.094 116.569 -7.475 19354 5555 1 8 . 1 1 122 122 THR HA H 122 4.682 4.682 4.267 0.415 19354 5556 1 8 . 1 1 122 122 THR C C 122 175.844 175.844 175.117 0.727 19354 5557 1 8 . 1 1 122 122 THR CA C 122 61.815 61.815 62.977 -1.162 19354 5558 1 8 . 1 1 122 122 THR CB C 122 72.484 72.484 69.941 2.543 19354 5559 1 8 . 1 1 122 122 THR H H 122 7.649 7.649 7.890 -0.241 19354 5560 1 8 . 1 1 123 123 THR N N 123 112.067 112.067 121.400 -9.333 19354 5561 1 8 . 1 1 123 123 THR HA H 123 4.026 4.026 4.412 -0.386 19354 5562 1 8 . 1 1 123 123 THR C C 123 175.033 175.033 173.540 1.493 19354 5563 1 8 . 1 1 123 123 THR CA C 123 63.174 63.174 63.955 -0.781 19354 5564 1 8 . 1 1 123 123 THR CB C 123 68.529 68.529 67.704 0.825 19354 5565 1 8 . 1 1 123 123 THR H H 123 8.261 8.261 8.649 -0.388 19354 5566 1 8 . 1 1 124 124 PHE N N 124 118.139 118.139 125.726 -7.587 19354 5567 1 8 . 1 1 124 124 PHE HA H 124 4.153 4.153 4.468 -0.315 19354 5568 1 8 . 1 1 124 124 PHE C C 124 175.398 175.398 174.374 1.024 19354 5569 1 8 . 1 1 124 124 PHE CA C 124 59.890 59.890 58.300 1.590 19354 5570 1 8 . 1 1 124 124 PHE CB C 124 39.668 39.668 41.689 -2.021 19354 5571 1 8 . 1 1 124 124 PHE H H 124 7.764 7.764 8.199 -0.435 19354 5572 1 8 . 1 1 125 125 PHE N N 125 118.447 118.447 118.150 0.297 19354 5573 1 8 . 1 1 125 125 PHE HA H 125 4.662 4.662 5.043 -0.381 19354 5574 1 8 . 1 1 125 125 PHE CA C 125 56.245 56.245 55.083 1.162 19354 5575 1 8 . 1 1 125 125 PHE CB C 125 38.810 38.810 39.079 -0.269 19354 5576 1 8 . 1 1 125 125 PHE H H 125 7.670 7.670 8.063 -0.393 19354 5577 1 8 . 1 1 126 126 PRO HA H 126 4.398 4.398 4.610 -0.212 19354 5578 1 8 . 1 1 126 126 PRO CA C 126 62.432 62.432 64.680 -2.248 19354 5579 1 8 . 1 1 126 126 PRO CB C 126 32.670 32.670 32.599 0.071 19354 5580 1 8 . 1 1 127 127 LYS N N 127 118.753 118.753 117.795 0.958 19354 5581 1 8 . 1 1 127 127 LYS HA H 127 3.580 3.580 4.321 -0.741 19354 5582 1 8 . 1 1 127 127 LYS C C 127 177.977 177.977 179.395 -1.418 19354 5583 1 8 . 1 1 127 127 LYS CA C 127 60.279 60.279 58.657 1.622 19354 5584 1 8 . 1 1 127 127 LYS CB C 127 31.599 31.599 31.580 0.019 19354 5585 1 8 . 1 1 127 127 LYS H H 127 8.565 8.565 8.560 0.005 19354 5586 1 8 . 1 1 128 128 PHE N N 128 110.638 110.638 119.124 -8.486 19354 5587 1 8 . 1 1 128 128 PHE HA H 128 4.481 4.481 4.667 -0.186 19354 5588 1 8 . 1 1 128 128 PHE C C 128 173.946 173.946 174.617 -0.671 19354 5589 1 8 . 1 1 128 128 PHE CA C 128 57.841 57.841 59.724 -1.883 19354 5590 1 8 . 1 1 128 128 PHE CB C 128 36.807 36.807 39.754 -2.947 19354 5591 1 8 . 1 1 128 128 PHE H H 128 6.795 6.795 8.085 -1.290 19354 5592 1 8 . 1 1 129 129 LEU N N 129 119.653 119.653 121.116 -1.463 19354 5593 1 8 . 1 1 129 129 LEU HA H 129 4.710 4.710 4.507 0.203 19354 5594 1 8 . 1 1 129 129 LEU C C 129 175.398 175.398 176.163 -0.765 19354 5595 1 8 . 1 1 129 129 LEU CA C 129 53.169 53.169 54.286 -1.117 19354 5596 1 8 . 1 1 129 129 LEU CB C 129 44.901 44.901 42.800 2.101 19354 5597 1 8 . 1 1 129 129 LEU H H 129 7.204 7.204 7.748 -0.544 19354 5598 1 8 . 1 1 130 130 ARG N N 130 116.807 116.807 122.228 -5.421 19354 5599 1 8 . 1 1 130 130 ARG HA H 130 4.328 4.328 4.393 -0.065 19354 5600 1 8 . 1 1 130 130 ARG C C 130 177.099 177.099 175.310 1.789 19354 5601 1 8 . 1 1 130 130 ARG CA C 130 55.250 55.250 56.788 -1.538 19354 5602 1 8 . 1 1 130 130 ARG CB C 130 30.355 30.355 27.707 2.648 19354 5603 1 8 . 1 1 130 130 ARG H H 130 7.090 7.090 8.495 -1.405 19354 5604 1 8 . 1 1 131 131 CYS N N 131 117.271 117.271 118.125 -0.854 19354 5605 1 8 . 1 1 131 131 CYS HA H 131 4.588 4.588 4.649 -0.061 19354 5606 1 8 . 1 1 131 131 CYS C C 131 175.022 175.022 174.304 0.718 19354 5607 1 8 . 1 1 131 131 CYS CA C 131 54.449 54.449 58.145 -3.696 19354 5608 1 8 . 1 1 131 131 CYS CB C 131 34.958 34.958 30.506 4.452 19354 5609 1 8 . 1 1 131 131 CYS H H 131 8.210 8.210 8.524 -0.314 19354 5610 1 8 . 1 1 132 132 ASN N N 132 120.232 120.232 119.784 0.448 19354 5611 1 8 . 1 1 132 132 ASN HA H 132 4.811 4.811 4.569 0.242 19354 5612 1 8 . 1 1 132 132 ASN C C 132 175.080 175.080 174.224 0.856 19354 5613 1 8 . 1 1 132 132 ASN CA C 132 53.188 53.188 53.665 -0.477 19354 5614 1 8 . 1 1 132 132 ASN CB C 132 40.003 40.003 38.989 1.014 19354 5615 1 8 . 1 1 132 132 ASN H H 132 7.801 7.801 8.571 -0.770 19354 5616 1 8 . 1 1 133 133 GLU N N 133 123.435 123.435 121.929 1.506 19354 5617 1 8 . 1 1 133 133 GLU HA H 133 4.225 4.225 4.507 -0.282 19354 5618 1 8 . 1 1 133 133 GLU C C 133 176.447 176.447 175.757 0.690 19354 5619 1 8 . 1 1 133 133 GLU CA C 133 57.928 57.928 56.353 1.575 19354 5620 1 8 . 1 1 133 133 GLU CB C 133 29.822 29.822 32.231 -2.409 19354 5621 1 8 . 1 1 133 133 GLU H H 133 9.086 9.086 8.417 0.669 19354 5622 1 8 . 1 1 134 134 THR N N 134 113.403 113.403 112.721 0.682 19354 5623 1 8 . 1 1 134 134 THR HA H 134 3.964 3.964 3.909 0.055 19354 5624 1 8 . 1 1 134 134 THR C C 134 174.853 174.853 174.017 0.836 19354 5625 1 8 . 1 1 134 134 THR CA C 134 63.694 63.694 63.067 0.627 19354 5626 1 8 . 1 1 134 134 THR CB C 134 68.841 68.841 67.554 1.287 19354 5627 1 8 . 1 1 134 134 THR H H 134 8.067 8.067 8.615 -0.548 19354 5628 1 8 . 1 1 135 135 LEU N N 135 121.377 121.377 116.340 5.037 19354 5629 1 8 . 1 1 135 135 LEU HA H 135 3.964 3.964 4.785 -0.821 19354 5630 1 8 . 1 1 135 135 LEU C C 135 176.215 176.215 174.799 1.416 19354 5631 1 8 . 1 1 135 135 LEU CA C 135 55.656 55.656 53.514 2.142 19354 5632 1 8 . 1 1 135 135 LEU CB C 135 42.291 42.291 44.264 -1.973 19354 5633 1 8 . 1 1 135 135 LEU H H 135 7.448 7.448 7.235 0.213 19354 5634 1 8 . 1 1 136 136 PHE N N 136 117.704 117.704 119.117 -1.413 19354 5635 1 8 . 1 1 136 136 PHE HA H 136 5.202 5.202 4.946 0.256 19354 5636 1 8 . 1 1 136 136 PHE C C 136 179.412 179.412 174.818 4.594 19354 5637 1 8 . 1 1 136 136 PHE CA C 136 53.495 53.495 55.295 -1.800 19354 5638 1 8 . 1 1 136 136 PHE CB C 136 39.248 39.248 38.784 0.464 19354 5639 1 8 . 1 1 136 136 PHE H H 136 7.542 7.542 8.561 -1.019 19354 5640 1 8 . 1 1 137 137 PRO HA H 137 4.528 4.528 4.442 0.086 19354 5641 1 8 . 1 1 137 137 PRO CA C 137 62.949 62.949 64.731 -1.782 19354 5642 1 8 . 1 1 137 137 PRO CB C 137 32.242 32.242 32.292 -0.050 19354 5643 1 8 . 1 1 138 138 THR N N 138 114.025 114.025 112.837 1.188 19354 5644 1 8 . 1 1 138 138 THR HA H 138 4.324 4.324 4.027 0.297 19354 5645 1 8 . 1 1 138 138 THR C C 138 174.175 174.175 174.743 -0.568 19354 5646 1 8 . 1 1 138 138 THR CA C 138 61.863 61.863 64.305 -2.442 19354 5647 1 8 . 1 1 138 138 THR CB C 138 69.742 69.742 69.100 0.642 19354 5648 1 8 . 1 1 138 138 THR H H 138 8.452 8.452 8.357 0.095 19354 5649 1 9 . 1 1 13 13 GLY N N 13 110.400 110.400 111.691 -1.291 19354 5650 1 9 . 1 1 13 13 GLY C C 13 173.560 173.560 173.304 0.256 19354 5651 1 9 . 1 1 13 13 GLY CA C 13 45.111 45.111 44.967 0.144 19354 5652 1 9 . 1 1 13 13 GLY H H 13 8.335 8.335 8.420 -0.085 19354 5653 1 9 . 1 1 14 14 LEU N N 14 121.222 121.222 124.122 -2.900 19354 5654 1 9 . 1 1 14 14 LEU HA H 14 4.378 4.378 4.451 -0.073 19354 5655 1 9 . 1 1 14 14 LEU C C 14 177.119 177.119 175.071 2.048 19354 5656 1 9 . 1 1 14 14 LEU CA C 14 54.838 54.838 54.396 0.442 19354 5657 1 9 . 1 1 14 14 LEU CB C 14 42.429 42.429 45.223 -2.794 19354 5658 1 9 . 1 1 14 14 LEU H H 14 7.915 7.915 8.191 -0.276 19354 5659 1 9 . 1 1 15 15 VAL N N 15 123.222 123.222 120.372 2.850 19354 5660 1 9 . 1 1 15 15 VAL HA H 15 4.335 4.335 4.527 -0.192 19354 5661 1 9 . 1 1 15 15 VAL C C 15 175.602 175.602 174.924 0.678 19354 5662 1 9 . 1 1 15 15 VAL CA C 15 59.375 59.375 58.458 0.917 19354 5663 1 9 . 1 1 15 15 VAL CB C 15 33.197 33.197 34.982 -1.785 19354 5664 1 9 . 1 1 15 15 VAL H H 15 8.297 8.297 8.431 -0.134 19354 5665 1 9 . 1 1 16 16 PRO HA H 16 4.379 4.379 4.432 -0.053 19354 5666 1 9 . 1 1 16 16 PRO CA C 16 62.925 62.925 63.999 -1.074 19354 5667 1 9 . 1 1 16 16 PRO CB C 16 32.043 32.043 31.463 0.580 19354 5668 1 9 . 1 1 17 17 ARG N N 17 122.742 122.742 118.937 3.805 19354 5669 1 9 . 1 1 17 17 ARG HA H 17 4.219 4.219 4.210 0.009 19354 5670 1 9 . 1 1 17 17 ARG C C 17 176.586 176.586 176.480 0.106 19354 5671 1 9 . 1 1 17 17 ARG CA C 17 55.479 55.479 57.390 -1.911 19354 5672 1 9 . 1 1 17 17 ARG CB C 17 30.889 30.889 30.598 0.291 19354 5673 1 9 . 1 1 17 17 ARG H H 17 8.469 8.469 8.177 0.292 19354 5674 1 9 . 1 1 18 18 GLY N N 18 111.993 111.993 106.903 5.090 19354 5675 1 9 . 1 1 18 18 GLY C C 18 174.453 174.453 173.079 1.374 19354 5676 1 9 . 1 1 18 18 GLY CA C 18 45.670 45.670 44.499 1.171 19354 5677 1 9 . 1 1 18 18 GLY H H 18 8.538 8.538 7.799 0.739 19354 5678 1 9 . 1 1 19 19 SER HA H 19 4.318 4.318 3.978 0.340 19354 5679 1 9 . 1 1 19 19 SER CA C 19 58.480 58.480 59.157 -0.677 19354 5680 1 9 . 1 1 19 19 SER CB C 19 63.535 63.535 63.051 0.484 19354 5681 1 9 . 1 1 20 20 HIS N N 20 120.039 120.039 119.664 0.375 19354 5682 1 9 . 1 1 20 20 HIS HA H 20 4.678 4.678 4.579 0.099 19354 5683 1 9 . 1 1 20 20 HIS C C 20 174.263 174.263 174.497 -0.234 19354 5684 1 9 . 1 1 20 20 HIS CA C 20 55.889 55.889 55.725 0.164 19354 5685 1 9 . 1 1 20 20 HIS CB C 20 32.027 32.027 27.301 4.726 19354 5686 1 9 . 1 1 20 20 HIS H H 20 8.344 8.344 8.630 -0.286 19354 5687 1 9 . 1 1 21 21 MET N N 21 120.453 120.453 118.819 1.634 19354 5688 1 9 . 1 1 21 21 MET HA H 21 4.676 4.676 4.682 -0.006 19354 5689 1 9 . 1 1 21 21 MET C C 21 174.808 174.808 174.797 0.011 19354 5690 1 9 . 1 1 21 21 MET CA C 21 54.232 54.232 56.507 -2.275 19354 5691 1 9 . 1 1 21 21 MET CB C 21 32.377 32.377 35.308 -2.931 19354 5692 1 9 . 1 1 21 21 MET H H 21 8.587 8.587 7.932 0.655 19354 5693 1 9 . 1 1 22 22 VAL N N 22 112.794 112.794 116.580 -3.786 19354 5694 1 9 . 1 1 22 22 VAL HA H 22 5.297 5.297 5.077 0.220 19354 5695 1 9 . 1 1 22 22 VAL C C 22 175.218 175.218 174.048 1.170 19354 5696 1 9 . 1 1 22 22 VAL CA C 22 57.885 57.885 59.660 -1.775 19354 5697 1 9 . 1 1 22 22 VAL CB C 22 35.895 35.895 35.215 0.680 19354 5698 1 9 . 1 1 22 22 VAL H H 22 7.805 7.805 7.529 0.276 19354 5699 1 9 . 1 1 23 23 ARG N N 23 117.854 117.854 121.532 -3.678 19354 5700 1 9 . 1 1 23 23 ARG HA H 23 4.578 4.578 4.680 -0.102 19354 5701 1 9 . 1 1 23 23 ARG C C 23 174.128 174.128 174.506 -0.378 19354 5702 1 9 . 1 1 23 23 ARG CA C 23 54.192 54.192 54.636 -0.444 19354 5703 1 9 . 1 1 23 23 ARG CB C 23 34.757 34.757 33.467 1.290 19354 5704 1 9 . 1 1 23 23 ARG H H 23 8.430 8.430 7.790 0.640 19354 5705 1 9 . 1 1 24 24 ARG N N 24 124.928 124.928 123.248 1.680 19354 5706 1 9 . 1 1 24 24 ARG HA H 24 4.619 4.619 4.391 0.228 19354 5707 1 9 . 1 1 24 24 ARG C C 24 176.265 176.265 175.468 0.797 19354 5708 1 9 . 1 1 24 24 ARG CA C 24 57.824 57.824 56.297 1.527 19354 5709 1 9 . 1 1 24 24 ARG CB C 24 29.913 29.913 27.838 2.075 19354 5710 1 9 . 1 1 24 24 ARG H H 24 8.569 8.569 8.591 -0.022 19354 5711 1 9 . 1 1 25 25 ALA N N 25 127.390 127.390 125.693 1.697 19354 5712 1 9 . 1 1 25 25 ALA HA H 25 4.379 4.379 4.484 -0.105 19354 5713 1 9 . 1 1 25 25 ALA C C 25 174.173 174.173 176.669 -2.496 19354 5714 1 9 . 1 1 25 25 ALA CA C 25 51.382 51.382 51.153 0.230 19354 5715 1 9 . 1 1 25 25 ALA CB C 25 23.050 23.050 21.023 2.027 19354 5716 1 9 . 1 1 25 25 ALA H H 25 8.082 8.082 8.087 -0.005 19354 5717 1 9 . 1 1 26 26 ARG N N 26 116.820 116.820 118.817 -1.997 19354 5718 1 9 . 1 1 26 26 ARG HA H 26 4.692 4.692 4.412 0.280 19354 5719 1 9 . 1 1 26 26 ARG C C 26 177.847 177.847 174.606 3.241 19354 5720 1 9 . 1 1 26 26 ARG CA C 26 55.271 55.271 56.551 -1.280 19354 5721 1 9 . 1 1 26 26 ARG CB C 26 31.215 31.215 32.025 -0.810 19354 5722 1 9 . 1 1 26 26 ARG H H 26 8.133 8.133 8.196 -0.063 19354 5723 1 9 . 1 1 27 27 CYS N N 27 126.567 126.567 118.795 7.772 19354 5724 1 9 . 1 1 27 27 CYS HA H 27 5.732 5.732 4.791 0.941 19354 5725 1 9 . 1 1 27 27 CYS C C 27 175.288 175.288 173.096 2.192 19354 5726 1 9 . 1 1 27 27 CYS CA C 27 51.785 51.785 58.101 -6.316 19354 5727 1 9 . 1 1 27 27 CYS CB C 27 38.246 38.246 29.056 9.190 19354 5728 1 9 . 1 1 27 27 CYS H H 27 9.709 9.709 8.274 1.435 19354 5729 1 9 . 1 1 28 28 TYR N N 28 120.309 120.309 123.643 -3.334 19354 5730 1 9 . 1 1 28 28 TYR HA H 28 5.079 5.079 5.167 -0.088 19354 5731 1 9 . 1 1 28 28 TYR CA C 28 54.951 54.951 54.164 0.787 19354 5732 1 9 . 1 1 28 28 TYR CB C 28 39.807 39.807 38.808 0.999 19354 5733 1 9 . 1 1 28 28 TYR H H 28 8.870 8.870 8.916 -0.046 19354 5734 1 9 . 1 1 29 29 PRO HA H 29 4.836 4.836 4.816 0.020 19354 5735 1 9 . 1 1 29 29 PRO CA C 29 61.773 61.773 62.763 -0.990 19354 5736 1 9 . 1 1 29 29 PRO CB C 29 31.173 31.173 32.227 -1.054 19354 5737 1 9 . 1 1 30 30 THR N N 30 115.177 115.177 119.848 -4.671 19354 5738 1 9 . 1 1 30 30 THR HA H 30 4.253 4.253 4.365 -0.112 19354 5739 1 9 . 1 1 30 30 THR C C 30 173.688 173.688 175.565 -1.877 19354 5740 1 9 . 1 1 30 30 THR CA C 30 61.324 61.324 64.699 -3.375 19354 5741 1 9 . 1 1 30 30 THR CB C 30 70.191 70.191 69.293 0.898 19354 5742 1 9 . 1 1 30 30 THR H H 30 7.978 7.978 8.831 -0.853 19354 5743 1 9 . 1 1 31 31 SER N N 31 116.822 116.822 114.319 2.503 19354 5744 1 9 . 1 1 31 31 SER HA H 31 4.702 4.702 4.665 0.037 19354 5745 1 9 . 1 1 31 31 SER C C 31 175.079 175.079 175.020 0.059 19354 5746 1 9 . 1 1 31 31 SER CA C 31 57.057 57.057 56.822 0.235 19354 5747 1 9 . 1 1 31 31 SER CB C 31 66.020 66.020 64.917 1.103 19354 5748 1 9 . 1 1 31 31 SER H H 31 8.451 8.451 8.159 0.292 19354 5749 1 9 . 1 1 32 32 ASN N N 32 118.803 118.803 119.466 -0.663 19354 5750 1 9 . 1 1 32 32 ASN HA H 32 4.385 4.385 4.651 -0.266 19354 5751 1 9 . 1 1 32 32 ASN C C 32 175.705 175.705 175.980 -0.275 19354 5752 1 9 . 1 1 32 32 ASN CA C 32 55.564 55.564 55.557 0.007 19354 5753 1 9 . 1 1 32 32 ASN CB C 32 37.637 37.637 38.810 -1.173 19354 5754 1 9 . 1 1 32 32 ASN H H 32 8.802 8.802 8.710 0.092 19354 5755 1 9 . 1 1 33 33 ALA N N 33 118.571 118.571 121.042 -2.471 19354 5756 1 9 . 1 1 33 33 ALA HA H 33 4.262 4.262 4.375 -0.113 19354 5757 1 9 . 1 1 33 33 ALA C C 33 179.229 179.229 177.401 1.828 19354 5758 1 9 . 1 1 33 33 ALA CA C 33 53.087 53.087 53.529 -0.442 19354 5759 1 9 . 1 1 33 33 ALA CB C 33 19.563 19.563 19.391 0.172 19354 5760 1 9 . 1 1 33 33 ALA H H 33 8.004 8.004 7.849 0.155 19354 5761 1 9 . 1 1 34 34 THR N N 34 106.312 106.312 110.642 -4.330 19354 5762 1 9 . 1 1 34 34 THR HA H 34 4.581 4.581 4.292 0.289 19354 5763 1 9 . 1 1 34 34 THR C C 34 175.334 175.334 173.051 2.283 19354 5764 1 9 . 1 1 34 34 THR CA C 34 60.586 60.586 61.494 -0.908 19354 5765 1 9 . 1 1 34 34 THR CB C 34 70.195 70.195 69.906 0.288 19354 5766 1 9 . 1 1 34 34 THR H H 34 7.551 7.551 7.507 0.044 19354 5767 1 9 . 1 1 35 35 ASN N N 35 122.599 122.599 121.651 0.948 19354 5768 1 9 . 1 1 35 35 ASN HA H 35 4.528 4.528 4.750 -0.222 19354 5769 1 9 . 1 1 35 35 ASN C C 35 174.221 174.221 174.208 0.013 19354 5770 1 9 . 1 1 35 35 ASN CA C 35 52.790 52.790 53.164 -0.374 19354 5771 1 9 . 1 1 35 35 ASN CB C 35 36.768 36.768 39.902 -3.134 19354 5772 1 9 . 1 1 35 35 ASN H H 35 7.897 7.897 8.442 -0.545 19354 5773 1 9 . 1 1 36 36 THR N N 36 107.151 107.151 113.839 -6.688 19354 5774 1 9 . 1 1 36 36 THR HA H 36 4.979 4.979 4.491 0.488 19354 5775 1 9 . 1 1 36 36 THR C C 36 173.651 173.651 172.398 1.253 19354 5776 1 9 . 1 1 36 36 THR CA C 36 59.011 59.011 60.893 -1.882 19354 5777 1 9 . 1 1 36 36 THR CB C 36 72.745 72.745 71.466 1.279 19354 5778 1 9 . 1 1 36 36 THR H H 36 7.490 7.490 8.082 -0.592 19354 5779 1 9 . 1 1 37 37 CYS N N 37 118.809 118.809 123.475 -4.666 19354 5780 1 9 . 1 1 37 37 CYS HA H 37 4.095 4.095 4.962 -0.867 19354 5781 1 9 . 1 1 37 37 CYS C C 37 173.688 173.688 174.186 -0.498 19354 5782 1 9 . 1 1 37 37 CYS CA C 37 55.634 55.634 58.945 -3.311 19354 5783 1 9 . 1 1 37 37 CYS CB C 37 45.854 45.854 28.325 17.529 19354 5784 1 9 . 1 1 37 37 CYS H H 37 8.632 8.632 8.421 0.211 19354 5785 1 9 . 1 1 38 38 PHE N N 38 128.190 128.190 126.059 2.131 19354 5786 1 9 . 1 1 38 38 PHE HA H 38 4.275 4.275 4.251 0.024 19354 5787 1 9 . 1 1 38 38 PHE C C 38 176.261 176.261 175.758 0.503 19354 5788 1 9 . 1 1 38 38 PHE CA C 38 59.067 59.067 58.344 0.723 19354 5789 1 9 . 1 1 38 38 PHE CB C 38 36.576 36.576 37.302 -0.726 19354 5790 1 9 . 1 1 38 38 PHE H H 38 9.018 9.018 9.481 -0.463 19354 5791 1 9 . 1 1 39 39 GLY N N 39 104.504 104.504 104.734 -0.230 19354 5792 1 9 . 1 1 39 39 GLY C C 39 174.173 174.173 174.318 -0.145 19354 5793 1 9 . 1 1 39 39 GLY CA C 39 45.112 45.112 44.957 0.155 19354 5794 1 9 . 1 1 39 39 GLY H H 39 8.566 8.566 8.347 0.219 19354 5795 1 9 . 1 1 40 40 SER N N 40 116.201 116.201 120.419 -4.218 19354 5796 1 9 . 1 1 40 40 SER HA H 40 4.529 4.529 4.453 0.076 19354 5797 1 9 . 1 1 40 40 SER C C 40 173.873 173.873 174.205 -0.332 19354 5798 1 9 . 1 1 40 40 SER CA C 40 57.436 57.436 58.148 -0.712 19354 5799 1 9 . 1 1 40 40 SER CB C 40 63.718 63.718 63.685 0.033 19354 5800 1 9 . 1 1 40 40 SER H H 40 7.533 7.533 7.939 -0.406 19354 5801 1 9 . 1 1 41 41 LYS N N 41 127.456 127.456 128.090 -0.634 19354 5802 1 9 . 1 1 41 41 LYS HA H 41 4.056 4.056 4.176 -0.120 19354 5803 1 9 . 1 1 41 41 LYS C C 41 176.632 176.632 176.293 0.339 19354 5804 1 9 . 1 1 41 41 LYS CA C 41 56.409 56.409 57.023 -0.614 19354 5805 1 9 . 1 1 41 41 LYS CB C 41 32.169 32.169 32.701 -0.532 19354 5806 1 9 . 1 1 41 41 LYS H H 41 8.768 8.768 8.475 0.293 19354 5807 1 9 . 1 1 42 42 LEU N N 42 128.016 128.016 125.903 2.113 19354 5808 1 9 . 1 1 42 42 LEU HA H 42 4.120 4.120 4.204 -0.084 19354 5809 1 9 . 1 1 42 42 LEU CA C 42 52.010 52.010 51.226 0.784 19354 5810 1 9 . 1 1 42 42 LEU CB C 42 40.680 40.680 40.276 0.404 19354 5811 1 9 . 1 1 42 42 LEU H H 42 8.304 8.304 8.318 -0.014 19354 5812 1 9 . 1 1 43 43 PRO HA H 43 4.453 4.453 4.238 0.215 19354 5813 1 9 . 1 1 43 43 PRO CA C 43 62.807 62.807 63.828 -1.021 19354 5814 1 9 . 1 1 43 43 PRO CB C 43 29.625 29.625 31.811 -2.186 19354 5815 1 9 . 1 1 44 44 TYR N N 44 116.871 116.871 114.282 2.589 19354 5816 1 9 . 1 1 44 44 TYR HA H 44 4.689 4.689 4.831 -0.142 19354 5817 1 9 . 1 1 44 44 TYR C C 44 175.239 175.239 175.259 -0.020 19354 5818 1 9 . 1 1 44 44 TYR CA C 44 53.718 53.718 54.700 -0.982 19354 5819 1 9 . 1 1 44 44 TYR CB C 44 38.637 38.637 40.295 -1.659 19354 5820 1 9 . 1 1 44 44 TYR H H 44 6.311 6.311 6.653 -0.342 19354 5821 1 9 . 1 1 45 45 GLU N N 45 118.221 118.221 120.156 -1.935 19354 5822 1 9 . 1 1 45 45 GLU HA H 45 4.138 4.138 4.512 -0.374 19354 5823 1 9 . 1 1 45 45 GLU C C 45 176.282 176.282 174.999 1.283 19354 5824 1 9 . 1 1 45 45 GLU CA C 45 57.502 57.502 55.970 1.532 19354 5825 1 9 . 1 1 45 45 GLU CB C 45 31.105 31.105 30.652 0.453 19354 5826 1 9 . 1 1 45 45 GLU H H 45 8.591 8.591 8.761 -0.170 19354 5827 1 9 . 1 1 46 46 LEU N N 46 119.826 119.826 119.283 0.543 19354 5828 1 9 . 1 1 46 46 LEU HA H 46 4.974 4.974 5.338 -0.364 19354 5829 1 9 . 1 1 46 46 LEU C C 46 175.420 175.420 175.832 -0.412 19354 5830 1 9 . 1 1 46 46 LEU CA C 46 53.202 53.202 53.359 -0.157 19354 5831 1 9 . 1 1 46 46 LEU CB C 46 43.587 43.587 45.491 -1.904 19354 5832 1 9 . 1 1 46 46 LEU H H 46 8.176 8.176 7.659 0.517 19354 5833 1 9 . 1 1 47 47 SER N N 47 111.561 111.561 112.340 -0.779 19354 5834 1 9 . 1 1 47 47 SER HA H 47 5.020 5.020 4.508 0.512 19354 5835 1 9 . 1 1 47 47 SER C C 47 173.833 173.833 172.176 1.657 19354 5836 1 9 . 1 1 47 47 SER CA C 47 53.006 53.006 57.099 -4.093 19354 5837 1 9 . 1 1 47 47 SER CB C 47 64.691 64.691 65.196 -0.505 19354 5838 1 9 . 1 1 47 47 SER H H 47 7.924 7.924 8.443 -0.519 19354 5839 1 9 . 1 1 48 48 SER N N 48 111.459 111.459 120.738 -9.279 19354 5840 1 9 . 1 1 48 48 SER HA H 48 4.841 4.841 4.735 0.106 19354 5841 1 9 . 1 1 48 48 SER C C 48 175.602 175.602 174.771 0.831 19354 5842 1 9 . 1 1 48 48 SER CA C 48 57.388 57.388 56.861 0.527 19354 5843 1 9 . 1 1 48 48 SER CB C 48 66.333 66.333 63.013 3.320 19354 5844 1 9 . 1 1 48 48 SER H H 48 8.628 8.628 8.707 -0.079 19354 5845 1 9 . 1 1 49 49 LEU N N 49 128.995 128.995 130.568 -1.573 19354 5846 1 9 . 1 1 49 49 LEU HA H 49 4.383 4.383 4.416 -0.033 19354 5847 1 9 . 1 1 49 49 LEU C C 49 179.571 179.571 178.338 1.233 19354 5848 1 9 . 1 1 49 49 LEU CA C 49 56.032 56.032 56.967 -0.934 19354 5849 1 9 . 1 1 49 49 LEU CB C 49 41.904 41.904 41.499 0.405 19354 5850 1 9 . 1 1 49 49 LEU H H 49 9.519 9.519 9.356 0.163 19354 5851 1 9 . 1 1 50 50 ASP N N 50 115.013 115.013 120.232 -5.219 19354 5852 1 9 . 1 1 50 50 ASP HA H 50 4.168 4.168 4.396 -0.228 19354 5853 1 9 . 1 1 50 50 ASP C C 50 176.486 176.486 178.125 -1.639 19354 5854 1 9 . 1 1 50 50 ASP CA C 50 58.352 58.352 56.636 1.716 19354 5855 1 9 . 1 1 50 50 ASP CB C 50 41.259 41.259 40.732 0.527 19354 5856 1 9 . 1 1 50 50 ASP H H 50 8.191 8.191 7.794 0.397 19354 5857 1 9 . 1 1 51 51 LEU N N 51 118.298 118.298 118.623 -0.325 19354 5858 1 9 . 1 1 51 51 LEU HA H 51 4.329 4.329 4.087 0.242 19354 5859 1 9 . 1 1 51 51 LEU C C 51 175.556 175.556 176.775 -1.219 19354 5860 1 9 . 1 1 51 51 LEU CA C 51 54.483 54.483 56.635 -2.152 19354 5861 1 9 . 1 1 51 51 LEU CB C 51 39.219 39.219 42.606 -3.387 19354 5862 1 9 . 1 1 51 51 LEU H H 51 8.732 8.732 7.724 1.008 19354 5863 1 9 . 1 1 52 52 THR N N 52 106.427 106.427 108.766 -2.339 19354 5864 1 9 . 1 1 52 52 THR HA H 52 2.784 2.784 4.432 -1.648 19354 5865 1 9 . 1 1 52 52 THR C C 52 172.812 172.812 173.305 -0.493 19354 5866 1 9 . 1 1 52 52 THR CA C 52 58.759 58.759 59.683 -0.924 19354 5867 1 9 . 1 1 52 52 THR CB C 52 71.985 71.985 70.874 1.111 19354 5868 1 9 . 1 1 52 52 THR H H 52 7.574 7.574 7.500 0.074 19354 5869 1 9 . 1 1 53 53 ASP HA H 53 4.398 4.398 4.678 -0.280 19354 5870 1 9 . 1 1 53 53 ASP CA C 53 52.757 52.757 53.951 -1.194 19354 5871 1 9 . 1 1 53 53 ASP CB C 53 40.737 40.737 41.016 -0.279 19354 5872 1 9 . 1 1 54 54 PHE N N 54 117.929 117.929 118.413 -0.484 19354 5873 1 9 . 1 1 54 54 PHE HA H 54 4.498 4.498 4.693 -0.195 19354 5874 1 9 . 1 1 54 54 PHE C C 54 176.169 176.169 176.297 -0.128 19354 5875 1 9 . 1 1 54 54 PHE CA C 54 57.477 57.477 58.541 -1.064 19354 5876 1 9 . 1 1 54 54 PHE CB C 54 39.270 39.270 39.535 -0.265 19354 5877 1 9 . 1 1 54 54 PHE H H 54 7.575 7.575 7.693 -0.118 19354 5878 1 9 . 1 1 55 55 HIS N N 55 115.333 115.333 116.745 -1.412 19354 5879 1 9 . 1 1 55 55 HIS HA H 55 4.585 4.585 4.810 -0.225 19354 5880 1 9 . 1 1 55 55 HIS C C 55 175.080 175.080 174.047 1.033 19354 5881 1 9 . 1 1 55 55 HIS CA C 55 56.439 56.439 55.790 0.649 19354 5882 1 9 . 1 1 55 55 HIS CB C 55 31.104 31.104 31.391 -0.287 19354 5883 1 9 . 1 1 55 55 HIS H H 55 9.230 9.230 8.841 0.389 19354 5884 1 9 . 1 1 56 56 THR N N 56 106.891 106.891 111.940 -5.049 19354 5885 1 9 . 1 1 56 56 THR HA H 56 4.528 4.528 4.358 0.170 19354 5886 1 9 . 1 1 56 56 THR C C 56 173.696 173.696 173.881 -0.185 19354 5887 1 9 . 1 1 56 56 THR CA C 56 58.725 58.725 61.425 -2.700 19354 5888 1 9 . 1 1 56 56 THR CB C 56 72.851 72.851 70.369 2.482 19354 5889 1 9 . 1 1 56 56 THR H H 56 7.343 7.343 7.444 -0.101 19354 5890 1 9 . 1 1 57 57 GLU N N 57 121.798 121.798 124.050 -2.252 19354 5891 1 9 . 1 1 57 57 GLU HA H 57 3.611 3.611 3.928 -0.317 19354 5892 1 9 . 1 1 57 57 GLU C C 57 178.417 178.417 178.201 0.216 19354 5893 1 9 . 1 1 57 57 GLU CA C 57 59.380 59.380 60.345 -0.965 19354 5894 1 9 . 1 1 57 57 GLU CB C 57 29.873 29.873 29.640 0.233 19354 5895 1 9 . 1 1 57 57 GLU H H 57 8.841 8.841 8.762 0.079 19354 5896 1 9 . 1 1 58 58 LYS N N 58 121.091 121.091 118.396 2.695 19354 5897 1 9 . 1 1 58 58 LYS HA H 58 3.903 3.903 3.912 -0.009 19354 5898 1 9 . 1 1 58 58 LYS C C 58 177.745 177.745 178.517 -0.772 19354 5899 1 9 . 1 1 58 58 LYS CA C 58 59.470 59.470 59.418 0.052 19354 5900 1 9 . 1 1 58 58 LYS CB C 58 32.130 32.130 31.744 0.386 19354 5901 1 9 . 1 1 58 58 LYS H H 58 8.307 8.307 7.705 0.602 19354 5902 1 9 . 1 1 59 59 GLU N N 59 117.790 117.790 119.753 -1.963 19354 5903 1 9 . 1 1 59 59 GLU HA H 59 3.852 3.852 3.942 -0.090 19354 5904 1 9 . 1 1 59 59 GLU C C 59 178.051 178.051 178.570 -0.519 19354 5905 1 9 . 1 1 59 59 GLU CA C 59 59.094 59.094 58.952 0.142 19354 5906 1 9 . 1 1 59 59 GLU CB C 59 30.468 30.468 29.207 1.261 19354 5907 1 9 . 1 1 59 59 GLU H H 59 7.537 7.537 7.516 0.021 19354 5908 1 9 . 1 1 60 60 LEU N N 60 118.763 118.763 120.305 -1.542 19354 5909 1 9 . 1 1 60 60 LEU HA H 60 3.211 3.211 2.976 0.235 19354 5910 1 9 . 1 1 60 60 LEU C C 60 178.070 178.070 178.329 -0.259 19354 5911 1 9 . 1 1 60 60 LEU CA C 60 59.007 59.007 57.057 1.950 19354 5912 1 9 . 1 1 60 60 LEU CB C 60 42.750 42.750 41.892 0.859 19354 5913 1 9 . 1 1 60 60 LEU H H 60 7.321 7.321 7.139 0.182 19354 5914 1 9 . 1 1 61 61 ASN N N 61 116.987 116.987 117.649 -0.662 19354 5915 1 9 . 1 1 61 61 ASN HA H 61 4.127 4.127 4.302 -0.175 19354 5916 1 9 . 1 1 61 61 ASN C C 61 177.689 177.689 177.290 0.399 19354 5917 1 9 . 1 1 61 61 ASN CA C 61 57.310 57.310 56.528 0.782 19354 5918 1 9 . 1 1 61 61 ASN CB C 61 39.288 39.288 38.473 0.815 19354 5919 1 9 . 1 1 61 61 ASN H H 61 8.335 8.335 8.344 -0.009 19354 5920 1 9 . 1 1 62 62 ASP N N 62 120.935 120.935 119.405 1.530 19354 5921 1 9 . 1 1 62 62 ASP HA H 62 4.306 4.306 4.424 -0.118 19354 5922 1 9 . 1 1 62 62 ASP C C 62 178.868 178.868 178.295 0.573 19354 5923 1 9 . 1 1 62 62 ASP CA C 62 57.510 57.510 56.685 0.825 19354 5924 1 9 . 1 1 62 62 ASP CB C 62 39.596 39.596 40.584 -0.988 19354 5925 1 9 . 1 1 62 62 ASP H H 62 8.376 8.376 8.359 0.017 19354 5926 1 9 . 1 1 63 63 LYS N N 63 119.626 119.626 120.629 -1.003 19354 5927 1 9 . 1 1 63 63 LYS HA H 63 4.168 4.168 4.068 0.100 19354 5928 1 9 . 1 1 63 63 LYS C C 63 179.458 179.458 178.446 1.012 19354 5929 1 9 . 1 1 63 63 LYS CA C 63 55.698 55.698 59.030 -3.332 19354 5930 1 9 . 1 1 63 63 LYS CB C 63 31.082 31.082 31.985 -0.903 19354 5931 1 9 . 1 1 63 63 LYS H H 63 7.748 7.748 7.661 0.087 19354 5932 1 9 . 1 1 64 64 LEU N N 64 120.255 120.255 119.492 0.763 19354 5933 1 9 . 1 1 64 64 LEU HA H 64 3.688 3.688 3.954 -0.266 19354 5934 1 9 . 1 1 64 64 LEU C C 64 178.732 178.732 178.941 -0.209 19354 5935 1 9 . 1 1 64 64 LEU CA C 64 57.722 57.722 57.695 0.027 19354 5936 1 9 . 1 1 64 64 LEU CB C 64 41.236 41.236 40.994 0.242 19354 5937 1 9 . 1 1 64 64 LEU H H 64 8.221 8.221 7.299 0.922 19354 5938 1 9 . 1 1 65 65 ASN N N 65 113.630 113.630 118.013 -4.383 19354 5939 1 9 . 1 1 65 65 ASN HA H 65 4.580 4.580 4.517 0.063 19354 5940 1 9 . 1 1 65 65 ASN C C 65 178.394 178.394 177.976 0.418 19354 5941 1 9 . 1 1 65 65 ASN CA C 65 55.628 55.628 56.582 -0.954 19354 5942 1 9 . 1 1 65 65 ASN CB C 65 38.269 38.269 37.805 0.464 19354 5943 1 9 . 1 1 65 65 ASN H H 65 7.482 7.482 8.150 -0.668 19354 5944 1 9 . 1 1 66 66 ASP N N 66 120.683 120.683 119.298 1.385 19354 5945 1 9 . 1 1 66 66 ASP HA H 66 4.482 4.482 4.469 0.013 19354 5946 1 9 . 1 1 66 66 ASP C C 66 179.095 179.095 178.847 0.248 19354 5947 1 9 . 1 1 66 66 ASP CA C 66 56.623 56.623 57.817 -1.194 19354 5948 1 9 . 1 1 66 66 ASP CB C 66 39.883 39.883 41.166 -1.283 19354 5949 1 9 . 1 1 66 66 ASP H H 66 7.834 7.834 8.218 -0.384 19354 5950 1 9 . 1 1 67 67 TYR N N 67 116.512 116.512 118.924 -2.412 19354 5951 1 9 . 1 1 67 67 TYR HA H 67 3.984 3.984 4.419 -0.435 19354 5952 1 9 . 1 1 67 67 TYR C C 67 176.554 176.554 177.161 -0.607 19354 5953 1 9 . 1 1 67 67 TYR CA C 67 62.142 62.142 60.095 2.047 19354 5954 1 9 . 1 1 67 67 TYR CB C 67 37.436 37.436 38.333 -0.897 19354 5955 1 9 . 1 1 67 67 TYR H H 67 8.132 8.132 7.459 0.673 19354 5956 1 9 . 1 1 68 68 TYR N N 68 118.786 118.786 120.010 -1.224 19354 5957 1 9 . 1 1 68 68 TYR HA H 68 3.632 3.632 3.176 0.456 19354 5958 1 9 . 1 1 68 68 TYR C C 68 177.915 177.915 177.839 0.076 19354 5959 1 9 . 1 1 68 68 TYR CA C 68 61.395 61.395 61.697 -0.302 19354 5960 1 9 . 1 1 68 68 TYR CB C 68 37.345 37.345 37.090 0.255 19354 5961 1 9 . 1 1 68 68 TYR H H 68 7.558 7.558 8.399 -0.841 19354 5962 1 9 . 1 1 69 69 ALA N N 69 120.715 120.715 122.064 -1.349 19354 5963 1 9 . 1 1 69 69 ALA HA H 69 3.935 3.935 3.959 -0.024 19354 5964 1 9 . 1 1 69 69 ALA C C 69 179.390 179.390 179.298 0.092 19354 5965 1 9 . 1 1 69 69 ALA CA C 69 54.015 54.015 54.607 -0.592 19354 5966 1 9 . 1 1 69 69 ALA CB C 69 18.529 18.529 17.802 0.727 19354 5967 1 9 . 1 1 69 69 ALA H H 69 7.453 7.453 7.623 -0.170 19354 5968 1 9 . 1 1 70 70 LEU N N 70 117.212 117.212 118.974 -1.762 19354 5969 1 9 . 1 1 70 70 LEU HA H 70 3.765 3.765 3.866 -0.101 19354 5970 1 9 . 1 1 70 70 LEU C C 70 177.280 177.280 178.015 -0.735 19354 5971 1 9 . 1 1 70 70 LEU CA C 70 56.634 56.634 56.932 -0.298 19354 5972 1 9 . 1 1 70 70 LEU CB C 70 41.045 41.045 41.628 -0.583 19354 5973 1 9 . 1 1 70 70 LEU H H 70 7.764 7.764 7.989 -0.225 19354 5974 1 9 . 1 1 71 71 LYS N N 71 118.756 118.756 118.836 -0.080 19354 5975 1 9 . 1 1 71 71 LYS HA H 71 3.039 3.039 3.506 -0.467 19354 5976 1 9 . 1 1 71 71 LYS C C 71 177.121 177.121 177.867 -0.746 19354 5977 1 9 . 1 1 71 71 LYS CA C 71 58.865 58.865 58.744 0.121 19354 5978 1 9 . 1 1 71 71 LYS CB C 71 31.247 31.247 31.051 0.196 19354 5979 1 9 . 1 1 71 71 LYS H H 71 7.001 7.001 7.689 -0.688 19354 5980 1 9 . 1 1 72 72 HIS N N 72 113.331 113.331 118.423 -5.092 19354 5981 1 9 . 1 1 72 72 HIS HA H 72 4.304 4.304 4.290 0.014 19354 5982 1 9 . 1 1 72 72 HIS C C 72 174.232 174.232 176.242 -2.010 19354 5983 1 9 . 1 1 72 72 HIS CA C 72 57.245 57.245 58.729 -1.484 19354 5984 1 9 . 1 1 72 72 HIS CB C 72 30.221 30.221 30.105 0.116 19354 5985 1 9 . 1 1 72 72 HIS H H 72 6.973 6.973 7.597 -0.624 19354 5986 1 9 . 1 1 73 73 VAL N N 73 121.486 121.486 120.570 0.916 19354 5987 1 9 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.448 0.083 19354 5988 1 9 . 1 1 73 73 VAL CA C 73 59.159 59.159 60.107 -0.948 19354 5989 1 9 . 1 1 73 73 VAL CB C 73 30.604 30.604 32.885 -2.281 19354 5990 1 9 . 1 1 73 73 VAL H H 73 7.821 7.821 7.843 -0.022 19354 5991 1 9 . 1 1 74 74 PRO HA H 74 4.070 4.070 4.611 -0.541 19354 5992 1 9 . 1 1 74 74 PRO CA C 74 66.637 66.637 65.271 1.366 19354 5993 1 9 . 1 1 74 74 PRO CB C 74 32.212 32.212 32.173 0.039 19354 5994 1 9 . 1 1 75 75 LYS N N 75 116.832 116.832 120.181 -3.349 19354 5995 1 9 . 1 1 75 75 LYS HA H 75 4.099 4.099 4.134 -0.035 19354 5996 1 9 . 1 1 75 75 LYS C C 75 180.048 180.048 177.658 2.390 19354 5997 1 9 . 1 1 75 75 LYS CA C 75 59.398 59.398 59.256 0.142 19354 5998 1 9 . 1 1 75 75 LYS CB C 75 31.296 31.296 31.285 0.011 19354 5999 1 9 . 1 1 75 75 LYS H H 75 9.234 9.234 8.687 0.547 19354 6000 1 9 . 1 1 76 76 CYS N N 76 116.333 116.333 116.815 -0.482 19354 6001 1 9 . 1 1 76 76 CYS HA H 76 4.320 4.320 4.674 -0.354 19354 6002 1 9 . 1 1 76 76 CYS C C 76 175.012 175.012 176.348 -1.336 19354 6003 1 9 . 1 1 76 76 CYS CA C 76 58.297 58.297 60.634 -2.337 19354 6004 1 9 . 1 1 76 76 CYS CB C 76 38.803 38.803 27.254 11.549 19354 6005 1 9 . 1 1 76 76 CYS H H 76 7.496 7.496 8.142 -0.646 19354 6006 1 9 . 1 1 77 77 TRP N N 77 119.987 119.987 123.154 -3.167 19354 6007 1 9 . 1 1 77 77 TRP HA H 77 4.452 4.452 4.273 0.179 19354 6008 1 9 . 1 1 77 77 TRP C C 77 177.462 177.462 177.879 -0.417 19354 6009 1 9 . 1 1 77 77 TRP CA C 77 58.821 58.821 60.002 -1.181 19354 6010 1 9 . 1 1 77 77 TRP CB C 77 30.425 30.425 29.278 1.147 19354 6011 1 9 . 1 1 77 77 TRP H H 77 8.254 8.254 8.594 -0.340 19354 6012 1 9 . 1 1 78 78 ALA N N 78 116.093 116.093 119.247 -3.154 19354 6013 1 9 . 1 1 78 78 ALA HA H 78 3.736 3.736 3.557 0.179 19354 6014 1 9 . 1 1 78 78 ALA C C 78 178.845 178.845 179.131 -0.286 19354 6015 1 9 . 1 1 78 78 ALA CA C 78 54.188 54.188 53.807 0.381 19354 6016 1 9 . 1 1 78 78 ALA CB C 78 18.323 18.323 17.807 0.516 19354 6017 1 9 . 1 1 78 78 ALA H H 78 7.968 7.968 8.086 -0.118 19354 6018 1 9 . 1 1 79 79 ALA N N 79 116.351 116.351 121.325 -4.974 19354 6019 1 9 . 1 1 79 79 ALA HA H 79 4.147 4.147 4.187 -0.040 19354 6020 1 9 . 1 1 79 79 ALA C C 79 178.414 178.414 177.784 0.630 19354 6021 1 9 . 1 1 79 79 ALA CA C 79 53.243 53.243 54.131 -0.888 19354 6022 1 9 . 1 1 79 79 ALA CB C 79 19.832 19.832 19.157 0.675 19354 6023 1 9 . 1 1 79 79 ALA H H 79 6.929 6.929 7.507 -0.578 19354 6024 1 9 . 1 1 80 80 ILE N N 80 115.150 115.150 117.325 -2.175 19354 6025 1 9 . 1 1 80 80 ILE HA H 80 4.218 4.218 4.226 -0.008 19354 6026 1 9 . 1 1 80 80 ILE C C 80 176.350 176.350 176.081 0.269 19354 6027 1 9 . 1 1 80 80 ILE CA C 80 62.069 62.069 59.702 2.367 19354 6028 1 9 . 1 1 80 80 ILE CB C 80 39.375 39.375 37.811 1.564 19354 6029 1 9 . 1 1 80 80 ILE H H 80 8.695 8.695 7.505 1.190 19354 6030 1 9 . 1 1 81 81 GLN N N 81 122.564 122.564 121.708 0.856 19354 6031 1 9 . 1 1 81 81 GLN HA H 81 3.332 3.332 3.837 -0.505 19354 6032 1 9 . 1 1 81 81 GLN C C 81 173.470 173.470 175.047 -1.577 19354 6033 1 9 . 1 1 81 81 GLN CA C 81 61.829 61.829 61.244 0.585 19354 6034 1 9 . 1 1 81 81 GLN CB C 81 25.973 25.973 26.918 -0.945 19354 6035 1 9 . 1 1 81 81 GLN H H 81 7.315 7.315 7.316 -0.001 19354 6036 1 9 . 1 1 82 82 PRO HA H 82 4.076 4.076 4.149 -0.073 19354 6037 1 9 . 1 1 82 82 PRO CA C 82 65.894 65.894 64.776 1.118 19354 6038 1 9 . 1 1 82 82 PRO CB C 82 30.481 30.481 31.523 -1.042 19354 6039 1 9 . 1 1 83 83 PHE N N 83 119.137 119.137 118.934 0.203 19354 6040 1 9 . 1 1 83 83 PHE HA H 83 4.289 4.289 4.276 0.013 19354 6041 1 9 . 1 1 83 83 PHE C C 83 175.919 175.919 176.278 -0.359 19354 6042 1 9 . 1 1 83 83 PHE CA C 83 59.712 59.712 57.065 2.647 19354 6043 1 9 . 1 1 83 83 PHE CB C 83 39.329 39.329 38.627 0.702 19354 6044 1 9 . 1 1 83 83 PHE H H 83 6.892 6.892 7.874 -0.982 19354 6045 1 9 . 1 1 84 84 LEU N N 84 116.693 116.693 119.799 -3.106 19354 6046 1 9 . 1 1 84 84 LEU HA H 84 3.611 3.611 3.292 0.319 19354 6047 1 9 . 1 1 84 84 LEU C C 84 180.297 180.297 177.980 2.317 19354 6048 1 9 . 1 1 84 84 LEU CA C 84 57.952 57.952 57.995 -0.043 19354 6049 1 9 . 1 1 84 84 LEU CB C 84 41.645 41.645 40.628 1.017 19354 6050 1 9 . 1 1 84 84 LEU H H 84 8.589 8.589 7.774 0.815 19354 6051 1 9 . 1 1 85 85 CYS N N 85 115.085 115.085 115.878 -0.793 19354 6052 1 9 . 1 1 85 85 CYS HA H 85 4.127 4.127 4.143 -0.016 19354 6053 1 9 . 1 1 85 85 CYS C C 85 175.556 175.556 176.619 -1.063 19354 6054 1 9 . 1 1 85 85 CYS CA C 85 57.678 57.678 61.658 -3.980 19354 6055 1 9 . 1 1 85 85 CYS CB C 85 39.396 39.396 26.645 12.751 19354 6056 1 9 . 1 1 85 85 CYS H H 85 8.001 8.001 7.267 0.734 19354 6057 1 9 . 1 1 86 86 ALA N N 86 121.743 121.743 120.861 0.882 19354 6058 1 9 . 1 1 86 86 ALA HA H 86 3.922 3.922 4.141 -0.219 19354 6059 1 9 . 1 1 86 86 ALA C C 86 177.745 177.745 177.258 0.487 19354 6060 1 9 . 1 1 86 86 ALA CA C 86 54.306 54.306 53.746 0.560 19354 6061 1 9 . 1 1 86 86 ALA CB C 86 18.778 18.778 18.089 0.689 19354 6062 1 9 . 1 1 86 86 ALA H H 86 7.671 7.671 7.851 -0.180 19354 6063 1 9 . 1 1 87 87 VAL N N 87 115.667 115.667 116.502 -0.835 19354 6064 1 9 . 1 1 87 87 VAL HA H 87 3.735 3.735 3.461 0.274 19354 6065 1 9 . 1 1 87 87 VAL C C 87 175.806 175.806 175.844 -0.038 19354 6066 1 9 . 1 1 87 87 VAL CA C 87 64.622 64.622 63.349 1.273 19354 6067 1 9 . 1 1 87 87 VAL CB C 87 32.936 32.936 31.688 1.248 19354 6068 1 9 . 1 1 87 87 VAL H H 87 7.460 7.460 6.922 0.538 19354 6069 1 9 . 1 1 88 88 PHE N N 88 115.306 115.306 116.359 -1.053 19354 6070 1 9 . 1 1 88 88 PHE HA H 88 4.048 4.048 4.619 -0.571 19354 6071 1 9 . 1 1 88 88 PHE C C 88 176.192 176.192 175.712 0.480 19354 6072 1 9 . 1 1 88 88 PHE CA C 88 60.420 60.420 58.261 2.159 19354 6073 1 9 . 1 1 88 88 PHE CB C 88 40.182 40.182 40.380 -0.199 19354 6074 1 9 . 1 1 88 88 PHE H H 88 8.930 8.930 7.028 1.902 19354 6075 1 9 . 1 1 89 89 LYS N N 89 115.470 115.470 119.442 -3.972 19354 6076 1 9 . 1 1 89 89 LYS HA H 89 4.816 4.816 4.784 0.032 19354 6077 1 9 . 1 1 89 89 LYS C C 89 184.176 184.176 174.450 9.726 19354 6078 1 9 . 1 1 89 89 LYS CA C 89 53.428 53.428 53.672 -0.244 19354 6079 1 9 . 1 1 89 89 LYS CB C 89 33.274 33.274 32.597 0.677 19354 6080 1 9 . 1 1 89 89 LYS H H 89 7.802 7.802 7.675 0.127 19354 6081 1 9 . 1 1 90 90 PRO HA H 90 4.250 4.250 4.256 -0.006 19354 6082 1 9 . 1 1 90 90 PRO CA C 90 62.682 62.682 62.376 0.306 19354 6083 1 9 . 1 1 90 90 PRO CB C 90 32.358 32.358 32.464 -0.106 19354 6084 1 9 . 1 1 91 91 LYS N N 91 122.391 122.391 120.028 2.363 19354 6085 1 9 . 1 1 91 91 LYS HA H 91 3.039 3.039 2.732 0.307 19354 6086 1 9 . 1 1 91 91 LYS C C 91 173.356 173.356 174.871 -1.515 19354 6087 1 9 . 1 1 91 91 LYS CA C 91 58.027 58.027 55.226 2.801 19354 6088 1 9 . 1 1 91 91 LYS CB C 91 31.285 31.285 32.064 -0.779 19354 6089 1 9 . 1 1 91 91 LYS H H 91 8.537 8.537 8.263 0.274 19354 6090 1 9 . 1 1 92 92 CYS N N 92 127.562 127.562 126.991 0.571 19354 6091 1 9 . 1 1 92 92 CYS HA H 92 5.391 5.391 4.935 0.456 19354 6092 1 9 . 1 1 92 92 CYS C C 92 171.655 171.655 173.281 -1.626 19354 6093 1 9 . 1 1 92 92 CYS CA C 92 53.804 53.804 57.144 -3.340 19354 6094 1 9 . 1 1 92 92 CYS CB C 92 41.219 41.219 27.555 13.664 19354 6095 1 9 . 1 1 92 92 CYS H H 92 7.037 7.037 8.204 -1.167 19354 6096 1 9 . 1 1 93 93 GLU N N 93 124.483 124.483 127.395 -2.912 19354 6097 1 9 . 1 1 93 93 GLU HA H 93 4.492 4.492 4.723 -0.231 19354 6098 1 9 . 1 1 93 93 GLU C C 93 173.371 173.371 174.636 -1.265 19354 6099 1 9 . 1 1 93 93 GLU CA C 93 54.874 54.874 54.666 0.208 19354 6100 1 9 . 1 1 93 93 GLU CB C 93 34.630 34.630 32.796 1.834 19354 6101 1 9 . 1 1 93 93 GLU H H 93 9.401 9.401 7.998 1.403 19354 6102 1 9 . 1 1 94 94 LYS N N 94 122.694 122.694 120.648 2.046 19354 6103 1 9 . 1 1 94 94 LYS HA H 94 4.581 4.581 4.731 -0.150 19354 6104 1 9 . 1 1 94 94 LYS C C 94 176.509 176.509 176.456 0.053 19354 6105 1 9 . 1 1 94 94 LYS CA C 94 55.856 55.856 55.524 0.332 19354 6106 1 9 . 1 1 94 94 LYS CB C 94 31.809 31.809 33.011 -1.202 19354 6107 1 9 . 1 1 94 94 LYS H H 94 8.526 8.526 8.529 -0.003 19354 6108 1 9 . 1 1 95 95 ILE N N 95 128.382 128.382 126.765 1.617 19354 6109 1 9 . 1 1 95 95 ILE HA H 95 4.049 4.049 4.104 -0.055 19354 6110 1 9 . 1 1 95 95 ILE C C 95 176.337 176.337 176.069 0.268 19354 6111 1 9 . 1 1 95 95 ILE CA C 95 60.847 60.847 61.385 -0.538 19354 6112 1 9 . 1 1 95 95 ILE CB C 95 39.625 39.625 38.074 1.551 19354 6113 1 9 . 1 1 95 95 ILE H H 95 9.001 9.001 8.579 0.422 19354 6114 1 9 . 1 1 96 96 ASN N N 96 127.596 127.596 127.498 0.098 19354 6115 1 9 . 1 1 96 96 ASN HA H 96 4.212 4.212 4.400 -0.188 19354 6116 1 9 . 1 1 96 96 ASN C C 96 175.496 175.496 175.138 0.358 19354 6117 1 9 . 1 1 96 96 ASN CA C 96 53.970 53.970 53.569 0.401 19354 6118 1 9 . 1 1 96 96 ASN CB C 96 37.238 37.238 37.960 -0.722 19354 6119 1 9 . 1 1 96 96 ASN H H 96 9.474 9.474 9.361 0.113 19354 6120 1 9 . 1 1 97 97 GLY N N 97 101.656 101.656 103.236 -1.580 19354 6121 1 9 . 1 1 97 97 GLY C C 97 173.651 173.651 173.524 0.127 19354 6122 1 9 . 1 1 97 97 GLY CA C 97 45.167 45.167 44.874 0.293 19354 6123 1 9 . 1 1 97 97 GLY H H 97 8.476 8.476 8.060 0.416 19354 6124 1 9 . 1 1 98 98 GLU N N 98 120.042 120.042 120.514 -0.472 19354 6125 1 9 . 1 1 98 98 GLU HA H 98 4.587 4.587 4.501 0.086 19354 6126 1 9 . 1 1 98 98 GLU C C 98 174.422 174.422 174.972 -0.550 19354 6127 1 9 . 1 1 98 98 GLU CA C 98 54.294 54.294 54.456 -0.162 19354 6128 1 9 . 1 1 98 98 GLU CB C 98 32.934 32.934 32.127 0.807 19354 6129 1 9 . 1 1 98 98 GLU H H 98 7.591 7.591 7.764 -0.173 19354 6130 1 9 . 1 1 99 99 ASP N N 99 126.603 126.603 127.543 -0.940 19354 6131 1 9 . 1 1 99 99 ASP HA H 99 4.340 4.340 4.528 -0.188 19354 6132 1 9 . 1 1 99 99 ASP C C 99 176.214 176.214 175.776 0.438 19354 6133 1 9 . 1 1 99 99 ASP CA C 99 55.408 55.408 55.858 -0.450 19354 6134 1 9 . 1 1 99 99 ASP CB C 99 41.629 41.629 40.178 1.451 19354 6135 1 9 . 1 1 99 99 ASP H H 99 8.489 8.489 8.744 -0.255 19354 6136 1 9 . 1 1 100 100 MET N N 100 121.977 121.977 121.575 0.402 19354 6137 1 9 . 1 1 100 100 MET HA H 100 4.911 4.911 5.401 -0.490 19354 6138 1 9 . 1 1 100 100 MET C C 100 172.900 172.900 174.897 -1.997 19354 6139 1 9 . 1 1 100 100 MET CA C 100 53.649 53.649 53.604 0.045 19354 6140 1 9 . 1 1 100 100 MET CB C 100 35.529 35.529 36.978 -1.449 19354 6141 1 9 . 1 1 100 100 MET H H 100 8.853 8.853 8.853 -0.000 19354 6142 1 9 . 1 1 101 101 VAL N N 101 119.963 119.963 112.193 7.770 19354 6143 1 9 . 1 1 101 101 VAL HA H 101 4.814 4.814 4.524 0.290 19354 6144 1 9 . 1 1 101 101 VAL C C 101 172.991 172.991 173.535 -0.544 19354 6145 1 9 . 1 1 101 101 VAL CA C 101 58.203 58.203 59.165 -0.962 19354 6146 1 9 . 1 1 101 101 VAL CB C 101 34.629 34.629 34.825 -0.196 19354 6147 1 9 . 1 1 101 101 VAL H H 101 8.964 8.964 7.958 1.006 19354 6148 1 9 . 1 1 102 102 TYR N N 102 125.849 125.849 119.746 6.103 19354 6149 1 9 . 1 1 102 102 TYR HA H 102 4.444 4.444 5.174 -0.730 19354 6150 1 9 . 1 1 102 102 TYR C C 102 176.464 176.464 175.739 0.725 19354 6151 1 9 . 1 1 102 102 TYR CA C 102 57.549 57.549 57.033 0.515 19354 6152 1 9 . 1 1 102 102 TYR CB C 102 38.274 38.274 40.612 -2.338 19354 6153 1 9 . 1 1 102 102 TYR H H 102 8.137 8.137 7.833 0.304 19354 6154 1 9 . 1 1 103 103 LEU N N 103 123.151 123.151 125.154 -2.003 19354 6155 1 9 . 1 1 103 103 LEU HA H 103 4.683 4.683 4.748 -0.065 19354 6156 1 9 . 1 1 103 103 LEU CA C 103 52.426 52.426 52.758 -0.332 19354 6157 1 9 . 1 1 103 103 LEU CB C 103 42.038 42.038 42.746 -0.708 19354 6158 1 9 . 1 1 103 103 LEU H H 103 8.308 8.308 8.346 -0.038 19354 6159 1 9 . 1 1 104 104 PRO HA H 104 4.678 4.678 4.630 0.048 19354 6160 1 9 . 1 1 104 104 PRO CA C 104 61.704 61.704 62.672 -0.968 19354 6161 1 9 . 1 1 104 104 PRO CB C 104 32.020 32.020 32.574 -0.554 19354 6162 1 9 . 1 1 105 105 SER N N 105 113.955 113.955 116.018 -2.063 19354 6163 1 9 . 1 1 105 105 SER HA H 105 4.632 4.632 4.578 0.054 19354 6164 1 9 . 1 1 105 105 SER C C 105 175.473 175.473 176.151 -0.678 19354 6165 1 9 . 1 1 105 105 SER CA C 105 56.324 56.324 57.013 -0.689 19354 6166 1 9 . 1 1 105 105 SER CB C 105 65.193 65.193 64.828 0.365 19354 6167 1 9 . 1 1 105 105 SER H H 105 7.668 7.668 8.085 -0.417 19354 6168 1 9 . 1 1 106 106 TYR N N 106 122.582 122.582 119.844 2.738 19354 6169 1 9 . 1 1 106 106 TYR HA H 106 3.724 3.724 4.024 -0.300 19354 6170 1 9 . 1 1 106 106 TYR C C 106 178.116 178.116 177.403 0.713 19354 6171 1 9 . 1 1 106 106 TYR CA C 106 62.057 62.057 60.961 1.096 19354 6172 1 9 . 1 1 106 106 TYR CB C 106 37.925 37.925 37.644 0.281 19354 6173 1 9 . 1 1 106 106 TYR H H 106 8.492 8.492 8.994 -0.502 19354 6174 1 9 . 1 1 107 107 GLU N N 107 118.362 118.362 119.449 -1.087 19354 6175 1 9 . 1 1 107 107 GLU HA H 107 3.846 3.846 3.592 0.254 19354 6176 1 9 . 1 1 107 107 GLU C C 107 177.421 177.421 178.666 -1.245 19354 6177 1 9 . 1 1 107 107 GLU CA C 107 58.867 58.867 59.283 -0.416 19354 6178 1 9 . 1 1 107 107 GLU CB C 107 28.969 28.969 28.819 0.150 19354 6179 1 9 . 1 1 107 107 GLU H H 107 8.503 8.503 7.948 0.555 19354 6180 1 9 . 1 1 108 108 MET N N 108 116.221 116.221 117.913 -1.692 19354 6181 1 9 . 1 1 108 108 MET HA H 108 3.708 3.708 3.928 -0.220 19354 6182 1 9 . 1 1 108 108 MET C C 108 176.804 176.804 178.085 -1.281 19354 6183 1 9 . 1 1 108 108 MET CA C 108 58.648 58.648 58.282 0.366 19354 6184 1 9 . 1 1 108 108 MET CB C 108 33.058 33.058 31.453 1.605 19354 6185 1 9 . 1 1 108 108 MET H H 108 7.409 7.409 7.823 -0.414 19354 6186 1 9 . 1 1 109 109 CYS N N 109 114.131 114.131 116.437 -2.306 19354 6187 1 9 . 1 1 109 109 CYS HA H 109 3.857 3.857 3.722 0.135 19354 6188 1 9 . 1 1 109 109 CYS C C 109 178.047 178.047 176.833 1.214 19354 6189 1 9 . 1 1 109 109 CYS CA C 109 58.737 58.737 60.289 -1.552 19354 6190 1 9 . 1 1 109 109 CYS CB C 109 35.006 35.006 25.843 9.163 19354 6191 1 9 . 1 1 109 109 CYS H H 109 6.817 6.817 7.712 -0.895 19354 6192 1 9 . 1 1 110 110 ARG N N 110 124.629 124.629 121.500 3.129 19354 6193 1 9 . 1 1 110 110 ARG HA H 110 3.376 3.376 4.029 -0.653 19354 6194 1 9 . 1 1 110 110 ARG C C 110 179.435 179.435 178.141 1.294 19354 6195 1 9 . 1 1 110 110 ARG CA C 110 59.641 59.641 59.207 0.434 19354 6196 1 9 . 1 1 110 110 ARG CB C 110 29.273 29.273 29.632 -0.359 19354 6197 1 9 . 1 1 110 110 ARG H H 110 8.885 8.885 7.629 1.256 19354 6198 1 9 . 1 1 111 111 ILE N N 111 113.379 113.379 116.968 -3.589 19354 6199 1 9 . 1 1 111 111 ILE HA H 111 3.796 3.796 3.794 0.002 19354 6200 1 9 . 1 1 111 111 ILE C C 111 175.624 175.624 177.458 -1.834 19354 6201 1 9 . 1 1 111 111 ILE CA C 111 63.811 63.811 63.838 -0.027 19354 6202 1 9 . 1 1 111 111 ILE CB C 111 38.229 38.229 36.800 1.429 19354 6203 1 9 . 1 1 111 111 ILE H H 111 7.422 7.422 7.983 -0.561 19354 6204 1 9 . 1 1 112 112 THR N N 112 109.403 109.403 109.032 0.371 19354 6205 1 9 . 1 1 112 112 THR HA H 112 3.889 3.889 4.267 -0.378 19354 6206 1 9 . 1 1 112 112 THR C C 112 175.798 175.798 175.829 -0.031 19354 6207 1 9 . 1 1 112 112 THR CA C 112 62.856 62.856 64.043 -1.188 19354 6208 1 9 . 1 1 112 112 THR CB C 112 70.168 70.168 69.621 0.547 19354 6209 1 9 . 1 1 112 112 THR H H 112 7.574 7.574 7.255 0.319 19354 6210 1 9 . 1 1 113 113 MET N N 113 119.638 119.638 120.046 -0.408 19354 6211 1 9 . 1 1 113 113 MET HA H 113 3.541 3.541 4.388 -0.847 19354 6212 1 9 . 1 1 113 113 MET C C 113 177.174 177.174 177.590 -0.416 19354 6213 1 9 . 1 1 113 113 MET CA C 113 60.235 60.235 58.605 1.630 19354 6214 1 9 . 1 1 113 113 MET CB C 113 32.338 32.338 33.123 -0.785 19354 6215 1 9 . 1 1 113 113 MET H H 113 7.152 7.152 7.212 -0.060 19354 6216 1 9 . 1 1 114 114 GLU N N 114 117.224 117.224 119.124 -1.900 19354 6217 1 9 . 1 1 114 114 GLU HA H 114 4.114 4.114 4.143 -0.029 19354 6218 1 9 . 1 1 114 114 GLU CA C 114 60.422 60.422 59.680 0.742 19354 6219 1 9 . 1 1 114 114 GLU CB C 114 26.103 26.103 28.500 -2.397 19354 6220 1 9 . 1 1 114 114 GLU H H 114 8.580 8.580 7.888 0.692 19354 6221 1 9 . 1 1 115 115 PRO HA H 115 4.304 4.304 4.417 -0.113 19354 6222 1 9 . 1 1 115 115 PRO CA C 115 65.128 65.128 62.843 2.285 19354 6223 1 9 . 1 1 115 115 PRO CB C 115 31.141 31.141 32.141 -1.000 19354 6224 1 9 . 1 1 116 116 CYS N N 116 111.879 111.879 117.255 -5.376 19354 6225 1 9 . 1 1 116 116 CYS HA H 116 4.679 4.679 4.298 0.381 19354 6226 1 9 . 1 1 116 116 CYS C C 116 174.808 174.808 177.058 -2.250 19354 6227 1 9 . 1 1 116 116 CYS CA C 116 54.060 54.060 58.920 -4.860 19354 6228 1 9 . 1 1 116 116 CYS CB C 116 42.879 42.879 26.128 16.751 19354 6229 1 9 . 1 1 116 116 CYS H H 116 7.208 7.208 8.366 -1.158 19354 6230 1 9 . 1 1 117 117 ARG N N 117 123.750 123.750 123.034 0.716 19354 6231 1 9 . 1 1 117 117 ARG HA H 117 3.161 3.161 3.436 -0.275 19354 6232 1 9 . 1 1 117 117 ARG C C 117 178.210 178.210 177.010 1.200 19354 6233 1 9 . 1 1 117 117 ARG CA C 117 59.743 59.743 59.092 0.652 19354 6234 1 9 . 1 1 117 117 ARG CB C 117 29.486 29.486 30.082 -0.597 19354 6235 1 9 . 1 1 117 117 ARG H H 117 7.436 7.436 8.675 -1.239 19354 6236 1 9 . 1 1 118 118 ILE N N 118 116.384 116.384 116.415 -0.031 19354 6237 1 9 . 1 1 118 118 ILE HA H 118 4.000 4.000 3.713 0.287 19354 6238 1 9 . 1 1 118 118 ILE C C 118 176.577 176.577 176.779 -0.202 19354 6239 1 9 . 1 1 118 118 ILE CA C 118 63.166 63.166 62.910 0.257 19354 6240 1 9 . 1 1 118 118 ILE CB C 118 37.781 37.781 36.529 1.252 19354 6241 1 9 . 1 1 118 118 ILE H H 118 8.130 8.130 7.854 0.276 19354 6242 1 9 . 1 1 119 119 LEU N N 119 119.738 119.738 119.628 0.110 19354 6243 1 9 . 1 1 119 119 LEU HA H 119 4.540 4.540 4.479 0.061 19354 6244 1 9 . 1 1 119 119 LEU C C 119 178.346 178.346 177.473 0.873 19354 6245 1 9 . 1 1 119 119 LEU CA C 119 54.697 54.697 53.321 1.376 19354 6246 1 9 . 1 1 119 119 LEU CB C 119 42.872 42.872 39.574 3.299 19354 6247 1 9 . 1 1 119 119 LEU H H 119 7.771 7.771 7.734 0.037 19354 6248 1 9 . 1 1 120 120 TYR N N 120 121.945 121.945 118.967 2.978 19354 6249 1 9 . 1 1 120 120 TYR HA H 120 4.125 4.125 4.146 -0.021 19354 6250 1 9 . 1 1 120 120 TYR C C 120 176.169 176.169 175.819 0.350 19354 6251 1 9 . 1 1 120 120 TYR CA C 120 59.682 59.682 61.088 -1.406 19354 6252 1 9 . 1 1 120 120 TYR CB C 120 37.180 37.180 38.430 -1.250 19354 6253 1 9 . 1 1 120 120 TYR H H 120 7.886 7.886 7.786 0.100 19354 6254 1 9 . 1 1 121 121 ASN N N 121 115.992 115.992 110.407 5.585 19354 6255 1 9 . 1 1 121 121 ASN HA H 121 4.885 4.885 4.709 0.176 19354 6256 1 9 . 1 1 121 121 ASN C C 121 175.612 175.612 174.549 1.063 19354 6257 1 9 . 1 1 121 121 ASN CA C 121 52.670 52.670 53.152 -0.482 19354 6258 1 9 . 1 1 121 121 ASN CB C 121 38.058 38.058 38.313 -0.256 19354 6259 1 9 . 1 1 121 121 ASN H H 121 8.228 8.228 8.115 0.113 19354 6260 1 9 . 1 1 122 122 THR N N 122 109.094 109.094 118.041 -8.947 19354 6261 1 9 . 1 1 122 122 THR HA H 122 4.682 4.682 4.312 0.370 19354 6262 1 9 . 1 1 122 122 THR C C 122 175.844 175.844 174.732 1.112 19354 6263 1 9 . 1 1 122 122 THR CA C 122 61.815 61.815 62.874 -1.060 19354 6264 1 9 . 1 1 122 122 THR CB C 122 72.484 72.484 69.404 3.080 19354 6265 1 9 . 1 1 122 122 THR H H 122 7.649 7.649 7.850 -0.201 19354 6266 1 9 . 1 1 123 123 THR N N 123 112.067 112.067 121.747 -9.680 19354 6267 1 9 . 1 1 123 123 THR HA H 123 4.026 4.026 4.336 -0.310 19354 6268 1 9 . 1 1 123 123 THR C C 123 175.033 175.033 174.035 0.998 19354 6269 1 9 . 1 1 123 123 THR CA C 123 63.174 63.174 63.506 -0.332 19354 6270 1 9 . 1 1 123 123 THR CB C 123 68.529 68.529 68.828 -0.299 19354 6271 1 9 . 1 1 123 123 THR H H 123 8.261 8.261 8.657 -0.396 19354 6272 1 9 . 1 1 124 124 PHE N N 124 118.139 118.139 127.119 -8.980 19354 6273 1 9 . 1 1 124 124 PHE HA H 124 4.153 4.153 4.565 -0.412 19354 6274 1 9 . 1 1 124 124 PHE C C 124 175.398 175.398 174.588 0.810 19354 6275 1 9 . 1 1 124 124 PHE CA C 124 59.890 59.890 57.636 2.254 19354 6276 1 9 . 1 1 124 124 PHE CB C 124 39.668 39.668 40.483 -0.815 19354 6277 1 9 . 1 1 124 124 PHE H H 124 7.764 7.764 8.337 -0.573 19354 6278 1 9 . 1 1 125 125 PHE N N 125 118.447 118.447 120.639 -2.192 19354 6279 1 9 . 1 1 125 125 PHE HA H 125 4.662 4.662 4.908 -0.246 19354 6280 1 9 . 1 1 125 125 PHE CA C 125 56.245 56.245 54.870 1.375 19354 6281 1 9 . 1 1 125 125 PHE CB C 125 38.810 38.810 39.166 -0.356 19354 6282 1 9 . 1 1 125 125 PHE H H 125 7.670 7.670 7.981 -0.311 19354 6283 1 9 . 1 1 126 126 PRO HA H 126 4.398 4.398 4.651 -0.253 19354 6284 1 9 . 1 1 126 126 PRO CA C 126 62.432 62.432 62.589 -0.157 19354 6285 1 9 . 1 1 126 126 PRO CB C 126 32.670 32.670 32.483 0.186 19354 6286 1 9 . 1 1 127 127 LYS N N 127 118.753 118.753 119.177 -0.424 19354 6287 1 9 . 1 1 127 127 LYS HA H 127 3.580 3.580 4.122 -0.542 19354 6288 1 9 . 1 1 127 127 LYS C C 127 177.977 177.977 178.800 -0.823 19354 6289 1 9 . 1 1 127 127 LYS CA C 127 60.279 60.279 58.550 1.729 19354 6290 1 9 . 1 1 127 127 LYS CB C 127 31.599 31.599 31.288 0.311 19354 6291 1 9 . 1 1 127 127 LYS H H 127 8.565 8.565 8.760 -0.195 19354 6292 1 9 . 1 1 128 128 PHE N N 128 110.638 110.638 120.636 -9.998 19354 6293 1 9 . 1 1 128 128 PHE HA H 128 4.481 4.481 4.339 0.142 19354 6294 1 9 . 1 1 128 128 PHE C C 128 173.946 173.946 176.331 -2.385 19354 6295 1 9 . 1 1 128 128 PHE CA C 128 57.841 57.841 60.507 -2.666 19354 6296 1 9 . 1 1 128 128 PHE CB C 128 36.807 36.807 38.792 -1.985 19354 6297 1 9 . 1 1 128 128 PHE H H 128 6.795 6.795 8.055 -1.260 19354 6298 1 9 . 1 1 129 129 LEU N N 129 119.653 119.653 118.237 1.416 19354 6299 1 9 . 1 1 129 129 LEU HA H 129 4.710 4.710 3.474 1.236 19354 6300 1 9 . 1 1 129 129 LEU C C 129 175.398 175.398 177.019 -1.621 19354 6301 1 9 . 1 1 129 129 LEU CA C 129 53.169 53.169 55.813 -2.644 19354 6302 1 9 . 1 1 129 129 LEU CB C 129 44.901 44.901 42.346 2.555 19354 6303 1 9 . 1 1 129 129 LEU H H 129 7.204 7.204 7.607 -0.403 19354 6304 1 9 . 1 1 130 130 ARG N N 130 116.807 116.807 115.506 1.301 19354 6305 1 9 . 1 1 130 130 ARG HA H 130 4.328 4.328 3.989 0.339 19354 6306 1 9 . 1 1 130 130 ARG C C 130 177.099 177.099 175.288 1.811 19354 6307 1 9 . 1 1 130 130 ARG CA C 130 55.250 55.250 56.964 -1.714 19354 6308 1 9 . 1 1 130 130 ARG CB C 130 30.355 30.355 28.546 1.809 19354 6309 1 9 . 1 1 130 130 ARG H H 130 7.090 7.090 8.164 -1.074 19354 6310 1 9 . 1 1 131 131 CYS N N 131 117.271 117.271 116.278 0.993 19354 6311 1 9 . 1 1 131 131 CYS HA H 131 4.588 4.588 4.669 -0.081 19354 6312 1 9 . 1 1 131 131 CYS C C 131 175.022 175.022 173.723 1.299 19354 6313 1 9 . 1 1 131 131 CYS CA C 131 54.449 54.449 57.785 -3.336 19354 6314 1 9 . 1 1 131 131 CYS CB C 131 34.958 34.958 30.351 4.607 19354 6315 1 9 . 1 1 131 131 CYS H H 131 8.210 8.210 8.186 0.024 19354 6316 1 9 . 1 1 132 132 ASN N N 132 120.232 120.232 119.695 0.537 19354 6317 1 9 . 1 1 132 132 ASN HA H 132 4.811 4.811 4.981 -0.170 19354 6318 1 9 . 1 1 132 132 ASN C C 132 175.080 175.080 174.761 0.319 19354 6319 1 9 . 1 1 132 132 ASN CA C 132 53.188 53.188 52.366 0.822 19354 6320 1 9 . 1 1 132 132 ASN CB C 132 40.003 40.003 40.461 -0.458 19354 6321 1 9 . 1 1 132 132 ASN H H 132 7.801 7.801 8.759 -0.958 19354 6322 1 9 . 1 1 133 133 GLU N N 133 123.435 123.435 121.850 1.585 19354 6323 1 9 . 1 1 133 133 GLU HA H 133 4.225 4.225 4.377 -0.152 19354 6324 1 9 . 1 1 133 133 GLU C C 133 176.447 176.447 176.297 0.150 19354 6325 1 9 . 1 1 133 133 GLU CA C 133 57.928 57.928 56.785 1.143 19354 6326 1 9 . 1 1 133 133 GLU CB C 133 29.822 29.822 27.356 2.466 19354 6327 1 9 . 1 1 133 133 GLU H H 133 9.086 9.086 8.795 0.291 19354 6328 1 9 . 1 1 134 134 THR N N 134 113.403 113.403 112.275 1.128 19354 6329 1 9 . 1 1 134 134 THR HA H 134 3.964 3.964 3.868 0.096 19354 6330 1 9 . 1 1 134 134 THR C C 134 174.853 174.853 174.099 0.754 19354 6331 1 9 . 1 1 134 134 THR CA C 134 63.694 63.694 62.991 0.703 19354 6332 1 9 . 1 1 134 134 THR CB C 134 68.841 68.841 67.924 0.917 19354 6333 1 9 . 1 1 134 134 THR H H 134 8.067 8.067 8.475 -0.408 19354 6334 1 9 . 1 1 135 135 LEU N N 135 121.377 121.377 120.341 1.036 19354 6335 1 9 . 1 1 135 135 LEU HA H 135 3.964 3.964 4.013 -0.049 19354 6336 1 9 . 1 1 135 135 LEU C C 135 176.215 176.215 177.208 -0.993 19354 6337 1 9 . 1 1 135 135 LEU CA C 135 55.656 55.656 57.407 -1.751 19354 6338 1 9 . 1 1 135 135 LEU CB C 135 42.291 42.291 41.945 0.346 19354 6339 1 9 . 1 1 135 135 LEU H H 135 7.448 7.448 8.255 -0.807 19354 6340 1 9 . 1 1 136 136 PHE N N 136 117.704 117.704 114.736 2.968 19354 6341 1 9 . 1 1 136 136 PHE HA H 136 5.202 5.202 4.869 0.333 19354 6342 1 9 . 1 1 136 136 PHE C C 136 179.412 179.412 173.741 5.671 19354 6343 1 9 . 1 1 136 136 PHE CA C 136 53.495 53.495 55.592 -2.097 19354 6344 1 9 . 1 1 136 136 PHE CB C 136 39.248 39.248 38.705 0.543 19354 6345 1 9 . 1 1 136 136 PHE H H 136 7.542 7.542 7.913 -0.371 19354 6346 1 9 . 1 1 137 137 PRO HA H 137 4.528 4.528 4.529 -0.001 19354 6347 1 9 . 1 1 137 137 PRO CA C 137 62.949 62.949 64.145 -1.196 19354 6348 1 9 . 1 1 137 137 PRO CB C 137 32.242 32.242 32.145 0.097 19354 6349 1 9 . 1 1 138 138 THR N N 138 114.025 114.025 113.022 1.003 19354 6350 1 9 . 1 1 138 138 THR HA H 138 4.324 4.324 4.123 0.201 19354 6351 1 9 . 1 1 138 138 THR C C 138 174.175 174.175 175.240 -1.065 19354 6352 1 9 . 1 1 138 138 THR CA C 138 61.863 61.863 64.108 -2.244 19354 6353 1 9 . 1 1 138 138 THR CB C 138 69.742 69.742 68.960 0.782 19354 6354 1 9 . 1 1 138 138 THR H H 138 8.452 8.452 8.350 0.102 19354 6355 1 10 . 1 1 13 13 GLY N N 13 110.400 110.400 111.746 -1.346 19354 6356 1 10 . 1 1 13 13 GLY C C 13 173.560 173.560 172.165 1.395 19354 6357 1 10 . 1 1 13 13 GLY CA C 13 45.111 45.111 45.178 -0.067 19354 6358 1 10 . 1 1 13 13 GLY H H 13 8.335 8.335 8.411 -0.076 19354 6359 1 10 . 1 1 14 14 LEU N N 14 121.222 121.222 122.184 -0.962 19354 6360 1 10 . 1 1 14 14 LEU HA H 14 4.378 4.378 4.286 0.092 19354 6361 1 10 . 1 1 14 14 LEU C C 14 177.119 177.119 176.557 0.562 19354 6362 1 10 . 1 1 14 14 LEU CA C 14 54.838 54.838 55.028 -0.190 19354 6363 1 10 . 1 1 14 14 LEU CB C 14 42.429 42.429 42.644 -0.215 19354 6364 1 10 . 1 1 14 14 LEU H H 14 7.915 7.915 8.261 -0.346 19354 6365 1 10 . 1 1 15 15 VAL N N 15 123.222 123.222 121.551 1.671 19354 6366 1 10 . 1 1 15 15 VAL HA H 15 4.335 4.335 4.467 -0.132 19354 6367 1 10 . 1 1 15 15 VAL C C 15 175.602 175.602 174.376 1.226 19354 6368 1 10 . 1 1 15 15 VAL CA C 15 59.375 59.375 57.312 2.063 19354 6369 1 10 . 1 1 15 15 VAL CB C 15 33.197 33.197 34.287 -1.090 19354 6370 1 10 . 1 1 15 15 VAL H H 15 8.297 8.297 7.852 0.445 19354 6371 1 10 . 1 1 16 16 PRO HA H 16 4.379 4.379 4.570 -0.191 19354 6372 1 10 . 1 1 16 16 PRO CA C 16 62.925 62.925 63.294 -0.369 19354 6373 1 10 . 1 1 16 16 PRO CB C 16 32.043 32.043 30.613 1.430 19354 6374 1 10 . 1 1 17 17 ARG N N 17 122.742 122.742 121.779 0.963 19354 6375 1 10 . 1 1 17 17 ARG HA H 17 4.219 4.219 4.405 -0.186 19354 6376 1 10 . 1 1 17 17 ARG C C 17 176.586 176.586 177.148 -0.562 19354 6377 1 10 . 1 1 17 17 ARG CA C 17 55.479 55.479 55.522 -0.043 19354 6378 1 10 . 1 1 17 17 ARG CB C 17 30.889 30.889 31.387 -0.497 19354 6379 1 10 . 1 1 17 17 ARG H H 17 8.469 8.469 8.219 0.250 19354 6380 1 10 . 1 1 18 18 GLY N N 18 111.993 111.993 110.229 1.764 19354 6381 1 10 . 1 1 18 18 GLY C C 18 174.453 174.453 174.219 0.234 19354 6382 1 10 . 1 1 18 18 GLY CA C 18 45.670 45.670 45.633 0.037 19354 6383 1 10 . 1 1 18 18 GLY H H 18 8.538 8.538 8.395 0.143 19354 6384 1 10 . 1 1 19 19 SER HA H 19 4.318 4.318 4.360 -0.042 19354 6385 1 10 . 1 1 19 19 SER CA C 19 58.480 58.480 58.180 0.300 19354 6386 1 10 . 1 1 19 19 SER CB C 19 63.535 63.535 63.732 -0.197 19354 6387 1 10 . 1 1 20 20 HIS N N 20 120.039 120.039 124.080 -4.041 19354 6388 1 10 . 1 1 20 20 HIS HA H 20 4.678 4.678 4.604 0.074 19354 6389 1 10 . 1 1 20 20 HIS C C 20 174.263 174.263 174.503 -0.240 19354 6390 1 10 . 1 1 20 20 HIS CA C 20 55.889 55.889 55.911 -0.022 19354 6391 1 10 . 1 1 20 20 HIS CB C 20 32.027 32.027 27.481 4.546 19354 6392 1 10 . 1 1 20 20 HIS H H 20 8.344 8.344 8.717 -0.373 19354 6393 1 10 . 1 1 21 21 MET N N 21 120.453 120.453 118.706 1.747 19354 6394 1 10 . 1 1 21 21 MET HA H 21 4.676 4.676 4.643 0.033 19354 6395 1 10 . 1 1 21 21 MET C C 21 174.808 174.808 174.703 0.105 19354 6396 1 10 . 1 1 21 21 MET CA C 21 54.232 54.232 55.083 -0.851 19354 6397 1 10 . 1 1 21 21 MET CB C 21 32.377 32.377 33.566 -1.189 19354 6398 1 10 . 1 1 21 21 MET H H 21 8.587 8.587 7.575 1.012 19354 6399 1 10 . 1 1 22 22 VAL N N 22 112.794 112.794 116.283 -3.489 19354 6400 1 10 . 1 1 22 22 VAL HA H 22 5.297 5.297 4.868 0.429 19354 6401 1 10 . 1 1 22 22 VAL C C 22 175.218 175.218 174.275 0.943 19354 6402 1 10 . 1 1 22 22 VAL CA C 22 57.885 57.885 59.788 -1.903 19354 6403 1 10 . 1 1 22 22 VAL CB C 22 35.895 35.895 35.725 0.170 19354 6404 1 10 . 1 1 22 22 VAL H H 22 7.805 7.805 7.393 0.412 19354 6405 1 10 . 1 1 23 23 ARG N N 23 117.854 117.854 120.737 -2.883 19354 6406 1 10 . 1 1 23 23 ARG HA H 23 4.578 4.578 4.781 -0.203 19354 6407 1 10 . 1 1 23 23 ARG C C 23 174.128 174.128 174.713 -0.585 19354 6408 1 10 . 1 1 23 23 ARG CA C 23 54.192 54.192 55.051 -0.859 19354 6409 1 10 . 1 1 23 23 ARG CB C 23 34.757 34.757 33.474 1.283 19354 6410 1 10 . 1 1 23 23 ARG H H 23 8.430 8.430 7.975 0.455 19354 6411 1 10 . 1 1 24 24 ARG N N 24 124.928 124.928 123.844 1.084 19354 6412 1 10 . 1 1 24 24 ARG HA H 24 4.619 4.619 4.500 0.119 19354 6413 1 10 . 1 1 24 24 ARG C C 24 176.265 176.265 175.146 1.119 19354 6414 1 10 . 1 1 24 24 ARG CA C 24 57.824 57.824 56.388 1.436 19354 6415 1 10 . 1 1 24 24 ARG CB C 24 29.913 29.913 27.981 1.932 19354 6416 1 10 . 1 1 24 24 ARG H H 24 8.569 8.569 8.252 0.317 19354 6417 1 10 . 1 1 25 25 ALA N N 25 127.390 127.390 125.904 1.486 19354 6418 1 10 . 1 1 25 25 ALA HA H 25 4.379 4.379 4.382 -0.003 19354 6419 1 10 . 1 1 25 25 ALA C C 25 174.173 174.173 176.521 -2.348 19354 6420 1 10 . 1 1 25 25 ALA CA C 25 51.382 51.382 51.324 0.058 19354 6421 1 10 . 1 1 25 25 ALA CB C 25 23.050 23.050 20.364 2.686 19354 6422 1 10 . 1 1 25 25 ALA H H 25 8.082 8.082 8.275 -0.193 19354 6423 1 10 . 1 1 26 26 ARG N N 26 116.820 116.820 118.461 -1.641 19354 6424 1 10 . 1 1 26 26 ARG HA H 26 4.692 4.692 4.566 0.126 19354 6425 1 10 . 1 1 26 26 ARG C C 26 177.847 177.847 174.611 3.236 19354 6426 1 10 . 1 1 26 26 ARG CA C 26 55.271 55.271 55.992 -0.721 19354 6427 1 10 . 1 1 26 26 ARG CB C 26 31.215 31.215 32.032 -0.817 19354 6428 1 10 . 1 1 26 26 ARG H H 26 8.133 8.133 8.165 -0.032 19354 6429 1 10 . 1 1 27 27 CYS N N 27 126.567 126.567 117.905 8.662 19354 6430 1 10 . 1 1 27 27 CYS HA H 27 5.732 5.732 4.981 0.751 19354 6431 1 10 . 1 1 27 27 CYS C C 27 175.288 175.288 172.960 2.328 19354 6432 1 10 . 1 1 27 27 CYS CA C 27 51.785 51.785 58.035 -6.250 19354 6433 1 10 . 1 1 27 27 CYS CB C 27 38.246 38.246 29.615 8.631 19354 6434 1 10 . 1 1 27 27 CYS H H 27 9.709 9.709 8.223 1.486 19354 6435 1 10 . 1 1 28 28 TYR N N 28 120.309 120.309 122.727 -2.418 19354 6436 1 10 . 1 1 28 28 TYR HA H 28 5.079 5.079 5.121 -0.042 19354 6437 1 10 . 1 1 28 28 TYR CA C 28 54.951 54.951 54.386 0.565 19354 6438 1 10 . 1 1 28 28 TYR CB C 28 39.807 39.807 38.930 0.877 19354 6439 1 10 . 1 1 28 28 TYR H H 28 8.870 8.870 9.056 -0.186 19354 6440 1 10 . 1 1 29 29 PRO HA H 29 4.836 4.836 4.800 0.036 19354 6441 1 10 . 1 1 29 29 PRO CA C 29 61.773 61.773 62.774 -1.001 19354 6442 1 10 . 1 1 29 29 PRO CB C 29 31.173 31.173 32.035 -0.862 19354 6443 1 10 . 1 1 30 30 THR N N 30 115.177 115.177 119.773 -4.596 19354 6444 1 10 . 1 1 30 30 THR HA H 30 4.253 4.253 4.327 -0.074 19354 6445 1 10 . 1 1 30 30 THR C C 30 173.688 173.688 175.484 -1.796 19354 6446 1 10 . 1 1 30 30 THR CA C 30 61.324 61.324 64.619 -3.295 19354 6447 1 10 . 1 1 30 30 THR CB C 30 70.191 70.191 69.284 0.907 19354 6448 1 10 . 1 1 30 30 THR H H 30 7.978 7.978 8.724 -0.746 19354 6449 1 10 . 1 1 31 31 SER N N 31 116.822 116.822 114.261 2.561 19354 6450 1 10 . 1 1 31 31 SER HA H 31 4.702 4.702 4.614 0.088 19354 6451 1 10 . 1 1 31 31 SER C C 31 175.079 175.079 174.709 0.370 19354 6452 1 10 . 1 1 31 31 SER CA C 31 57.057 57.057 57.051 0.006 19354 6453 1 10 . 1 1 31 31 SER CB C 31 66.020 66.020 64.839 1.181 19354 6454 1 10 . 1 1 31 31 SER H H 31 8.451 8.451 8.248 0.203 19354 6455 1 10 . 1 1 32 32 ASN N N 32 118.803 118.803 120.523 -1.720 19354 6456 1 10 . 1 1 32 32 ASN HA H 32 4.385 4.385 4.562 -0.177 19354 6457 1 10 . 1 1 32 32 ASN C C 32 175.705 175.705 175.445 0.260 19354 6458 1 10 . 1 1 32 32 ASN CA C 32 55.564 55.564 55.853 -0.289 19354 6459 1 10 . 1 1 32 32 ASN CB C 32 37.637 37.637 38.656 -1.019 19354 6460 1 10 . 1 1 32 32 ASN H H 32 8.802 8.802 8.778 0.024 19354 6461 1 10 . 1 1 33 33 ALA N N 33 118.571 118.571 121.020 -2.449 19354 6462 1 10 . 1 1 33 33 ALA HA H 33 4.262 4.262 4.338 -0.076 19354 6463 1 10 . 1 1 33 33 ALA C C 33 179.229 179.229 176.755 2.474 19354 6464 1 10 . 1 1 33 33 ALA CA C 33 53.087 53.087 53.095 -0.008 19354 6465 1 10 . 1 1 33 33 ALA CB C 33 19.563 19.563 19.170 0.393 19354 6466 1 10 . 1 1 33 33 ALA H H 33 8.004 8.004 8.268 -0.264 19354 6467 1 10 . 1 1 34 34 THR N N 34 106.312 106.312 111.141 -4.829 19354 6468 1 10 . 1 1 34 34 THR HA H 34 4.581 4.581 4.296 0.285 19354 6469 1 10 . 1 1 34 34 THR C C 34 175.334 175.334 172.776 2.558 19354 6470 1 10 . 1 1 34 34 THR CA C 34 60.586 60.586 61.669 -1.083 19354 6471 1 10 . 1 1 34 34 THR CB C 34 70.195 70.195 69.528 0.666 19354 6472 1 10 . 1 1 34 34 THR H H 34 7.551 7.551 7.500 0.051 19354 6473 1 10 . 1 1 35 35 ASN N N 35 122.599 122.599 121.383 1.216 19354 6474 1 10 . 1 1 35 35 ASN HA H 35 4.528 4.528 4.837 -0.309 19354 6475 1 10 . 1 1 35 35 ASN C C 35 174.221 174.221 173.940 0.281 19354 6476 1 10 . 1 1 35 35 ASN CA C 35 52.790 52.790 53.256 -0.466 19354 6477 1 10 . 1 1 35 35 ASN CB C 35 36.768 36.768 39.747 -2.979 19354 6478 1 10 . 1 1 35 35 ASN H H 35 7.897 7.897 8.414 -0.517 19354 6479 1 10 . 1 1 36 36 THR N N 36 107.151 107.151 115.234 -8.083 19354 6480 1 10 . 1 1 36 36 THR HA H 36 4.979 4.979 4.452 0.527 19354 6481 1 10 . 1 1 36 36 THR C C 36 173.651 173.651 172.237 1.414 19354 6482 1 10 . 1 1 36 36 THR CA C 36 59.011 59.011 61.161 -2.151 19354 6483 1 10 . 1 1 36 36 THR CB C 36 72.745 72.745 70.907 1.838 19354 6484 1 10 . 1 1 36 36 THR H H 36 7.490 7.490 8.098 -0.608 19354 6485 1 10 . 1 1 37 37 CYS N N 37 118.809 118.809 124.885 -6.076 19354 6486 1 10 . 1 1 37 37 CYS HA H 37 4.095 4.095 4.582 -0.487 19354 6487 1 10 . 1 1 37 37 CYS C C 37 173.688 173.688 174.471 -0.783 19354 6488 1 10 . 1 1 37 37 CYS CA C 37 55.634 55.634 58.101 -2.467 19354 6489 1 10 . 1 1 37 37 CYS CB C 37 45.854 45.854 26.855 18.999 19354 6490 1 10 . 1 1 37 37 CYS H H 37 8.632 8.632 8.158 0.474 19354 6491 1 10 . 1 1 38 38 PHE N N 38 128.190 128.190 127.176 1.014 19354 6492 1 10 . 1 1 38 38 PHE HA H 38 4.275 4.275 4.289 -0.014 19354 6493 1 10 . 1 1 38 38 PHE C C 38 176.261 176.261 176.291 -0.030 19354 6494 1 10 . 1 1 38 38 PHE CA C 38 59.067 59.067 57.883 1.184 19354 6495 1 10 . 1 1 38 38 PHE CB C 38 36.576 36.576 36.618 -0.042 19354 6496 1 10 . 1 1 38 38 PHE H H 38 9.018 9.018 9.144 -0.126 19354 6497 1 10 . 1 1 39 39 GLY N N 39 104.504 104.504 105.410 -0.906 19354 6498 1 10 . 1 1 39 39 GLY C C 39 174.173 174.173 174.079 0.094 19354 6499 1 10 . 1 1 39 39 GLY CA C 39 45.112 45.112 45.223 -0.111 19354 6500 1 10 . 1 1 39 39 GLY H H 39 8.566 8.566 8.553 0.013 19354 6501 1 10 . 1 1 40 40 SER N N 40 116.201 116.201 117.901 -1.700 19354 6502 1 10 . 1 1 40 40 SER HA H 40 4.529 4.529 4.532 -0.003 19354 6503 1 10 . 1 1 40 40 SER C C 40 173.873 173.873 173.912 -0.039 19354 6504 1 10 . 1 1 40 40 SER CA C 40 57.436 57.436 57.120 0.316 19354 6505 1 10 . 1 1 40 40 SER CB C 40 63.718 63.718 63.688 0.030 19354 6506 1 10 . 1 1 40 40 SER H H 40 7.533 7.533 7.825 -0.292 19354 6507 1 10 . 1 1 41 41 LYS N N 41 127.456 127.456 127.048 0.408 19354 6508 1 10 . 1 1 41 41 LYS HA H 41 4.056 4.056 4.122 -0.066 19354 6509 1 10 . 1 1 41 41 LYS C C 41 176.632 176.632 176.347 0.285 19354 6510 1 10 . 1 1 41 41 LYS CA C 41 56.409 56.409 57.156 -0.747 19354 6511 1 10 . 1 1 41 41 LYS CB C 41 32.169 32.169 32.365 -0.196 19354 6512 1 10 . 1 1 41 41 LYS H H 41 8.768 8.768 8.458 0.310 19354 6513 1 10 . 1 1 42 42 LEU N N 42 128.016 128.016 126.377 1.639 19354 6514 1 10 . 1 1 42 42 LEU HA H 42 4.120 4.120 4.251 -0.131 19354 6515 1 10 . 1 1 42 42 LEU CA C 42 52.010 52.010 51.349 0.661 19354 6516 1 10 . 1 1 42 42 LEU CB C 42 40.680 40.680 40.205 0.475 19354 6517 1 10 . 1 1 42 42 LEU H H 42 8.304 8.304 8.349 -0.045 19354 6518 1 10 . 1 1 43 43 PRO HA H 43 4.453 4.453 4.177 0.276 19354 6519 1 10 . 1 1 43 43 PRO CA C 43 62.807 62.807 63.747 -0.940 19354 6520 1 10 . 1 1 43 43 PRO CB C 43 29.625 29.625 31.616 -1.991 19354 6521 1 10 . 1 1 44 44 TYR N N 44 116.871 116.871 114.290 2.581 19354 6522 1 10 . 1 1 44 44 TYR HA H 44 4.689 4.689 4.886 -0.197 19354 6523 1 10 . 1 1 44 44 TYR C C 44 175.239 175.239 175.140 0.099 19354 6524 1 10 . 1 1 44 44 TYR CA C 44 53.718 53.718 54.919 -1.201 19354 6525 1 10 . 1 1 44 44 TYR CB C 44 38.637 38.637 40.547 -1.910 19354 6526 1 10 . 1 1 44 44 TYR H H 44 6.311 6.311 6.613 -0.302 19354 6527 1 10 . 1 1 45 45 GLU N N 45 118.221 118.221 119.111 -0.890 19354 6528 1 10 . 1 1 45 45 GLU HA H 45 4.138 4.138 4.535 -0.397 19354 6529 1 10 . 1 1 45 45 GLU C C 45 176.282 176.282 174.856 1.426 19354 6530 1 10 . 1 1 45 45 GLU CA C 45 57.502 57.502 55.966 1.536 19354 6531 1 10 . 1 1 45 45 GLU CB C 45 31.105 31.105 30.649 0.456 19354 6532 1 10 . 1 1 45 45 GLU H H 45 8.591 8.591 8.921 -0.330 19354 6533 1 10 . 1 1 46 46 LEU N N 46 119.826 119.826 119.064 0.762 19354 6534 1 10 . 1 1 46 46 LEU HA H 46 4.974 4.974 5.326 -0.352 19354 6535 1 10 . 1 1 46 46 LEU C C 46 175.420 175.420 175.991 -0.571 19354 6536 1 10 . 1 1 46 46 LEU CA C 46 53.202 53.202 53.346 -0.144 19354 6537 1 10 . 1 1 46 46 LEU CB C 46 43.587 43.587 45.464 -1.877 19354 6538 1 10 . 1 1 46 46 LEU H H 46 8.176 8.176 7.643 0.533 19354 6539 1 10 . 1 1 47 47 SER N N 47 111.561 111.561 112.634 -1.073 19354 6540 1 10 . 1 1 47 47 SER HA H 47 5.020 5.020 4.499 0.521 19354 6541 1 10 . 1 1 47 47 SER C C 47 173.833 173.833 172.113 1.720 19354 6542 1 10 . 1 1 47 47 SER CA C 47 53.006 53.006 56.954 -3.948 19354 6543 1 10 . 1 1 47 47 SER CB C 47 64.691 64.691 65.283 -0.592 19354 6544 1 10 . 1 1 47 47 SER H H 47 7.924 7.924 8.355 -0.431 19354 6545 1 10 . 1 1 48 48 SER N N 48 111.459 111.459 118.479 -7.020 19354 6546 1 10 . 1 1 48 48 SER HA H 48 4.841 4.841 4.885 -0.044 19354 6547 1 10 . 1 1 48 48 SER C C 48 175.602 175.602 175.446 0.156 19354 6548 1 10 . 1 1 48 48 SER CA C 48 57.388 57.388 55.627 1.761 19354 6549 1 10 . 1 1 48 48 SER CB C 48 66.333 66.333 63.551 2.782 19354 6550 1 10 . 1 1 48 48 SER H H 48 8.628 8.628 8.523 0.105 19354 6551 1 10 . 1 1 49 49 LEU N N 49 128.995 128.995 130.874 -1.879 19354 6552 1 10 . 1 1 49 49 LEU HA H 49 4.383 4.383 4.343 0.040 19354 6553 1 10 . 1 1 49 49 LEU C C 49 179.571 179.571 178.474 1.097 19354 6554 1 10 . 1 1 49 49 LEU CA C 49 56.032 56.032 57.194 -1.161 19354 6555 1 10 . 1 1 49 49 LEU CB C 49 41.904 41.904 42.030 -0.126 19354 6556 1 10 . 1 1 49 49 LEU H H 49 9.519 9.519 9.284 0.235 19354 6557 1 10 . 1 1 50 50 ASP N N 50 115.013 115.013 120.220 -5.207 19354 6558 1 10 . 1 1 50 50 ASP HA H 50 4.168 4.168 4.352 -0.184 19354 6559 1 10 . 1 1 50 50 ASP C C 50 176.486 176.486 177.594 -1.108 19354 6560 1 10 . 1 1 50 50 ASP CA C 50 58.352 58.352 56.782 1.570 19354 6561 1 10 . 1 1 50 50 ASP CB C 50 41.259 41.259 40.903 0.356 19354 6562 1 10 . 1 1 50 50 ASP H H 50 8.191 8.191 7.954 0.237 19354 6563 1 10 . 1 1 51 51 LEU N N 51 118.298 118.298 118.185 0.113 19354 6564 1 10 . 1 1 51 51 LEU HA H 51 4.329 4.329 4.101 0.228 19354 6565 1 10 . 1 1 51 51 LEU C C 51 175.556 175.556 177.281 -1.725 19354 6566 1 10 . 1 1 51 51 LEU CA C 51 54.483 54.483 57.001 -2.518 19354 6567 1 10 . 1 1 51 51 LEU CB C 51 39.219 39.219 42.414 -3.195 19354 6568 1 10 . 1 1 51 51 LEU H H 51 8.732 8.732 7.810 0.922 19354 6569 1 10 . 1 1 52 52 THR N N 52 106.427 106.427 109.788 -3.361 19354 6570 1 10 . 1 1 52 52 THR HA H 52 2.784 2.784 4.466 -1.682 19354 6571 1 10 . 1 1 52 52 THR C C 52 172.812 172.812 174.111 -1.299 19354 6572 1 10 . 1 1 52 52 THR CA C 52 58.759 58.759 62.836 -4.077 19354 6573 1 10 . 1 1 52 52 THR CB C 52 71.985 71.985 70.435 1.550 19354 6574 1 10 . 1 1 52 52 THR H H 52 7.574 7.574 7.866 -0.292 19354 6575 1 10 . 1 1 53 53 ASP HA H 53 4.398 4.398 4.522 -0.124 19354 6576 1 10 . 1 1 53 53 ASP CA C 53 52.757 52.757 53.909 -1.152 19354 6577 1 10 . 1 1 53 53 ASP CB C 53 40.737 40.737 41.350 -0.613 19354 6578 1 10 . 1 1 54 54 PHE N N 54 117.929 117.929 117.576 0.353 19354 6579 1 10 . 1 1 54 54 PHE HA H 54 4.498 4.498 4.860 -0.362 19354 6580 1 10 . 1 1 54 54 PHE C C 54 176.169 176.169 174.939 1.230 19354 6581 1 10 . 1 1 54 54 PHE CA C 54 57.477 57.477 56.565 0.912 19354 6582 1 10 . 1 1 54 54 PHE CB C 54 39.270 39.270 40.533 -1.263 19354 6583 1 10 . 1 1 54 54 PHE H H 54 7.575 7.575 7.275 0.300 19354 6584 1 10 . 1 1 55 55 HIS N N 55 115.333 115.333 117.632 -2.299 19354 6585 1 10 . 1 1 55 55 HIS HA H 55 4.585 4.585 4.797 -0.212 19354 6586 1 10 . 1 1 55 55 HIS C C 55 175.080 175.080 175.106 -0.026 19354 6587 1 10 . 1 1 55 55 HIS CA C 55 56.439 56.439 56.503 -0.064 19354 6588 1 10 . 1 1 55 55 HIS CB C 55 31.104 31.104 32.348 -1.244 19354 6589 1 10 . 1 1 55 55 HIS H H 55 9.230 9.230 8.881 0.349 19354 6590 1 10 . 1 1 56 56 THR N N 56 106.891 106.891 112.890 -5.999 19354 6591 1 10 . 1 1 56 56 THR HA H 56 4.528 4.528 4.449 0.079 19354 6592 1 10 . 1 1 56 56 THR C C 56 173.696 173.696 174.375 -0.679 19354 6593 1 10 . 1 1 56 56 THR CA C 56 58.725 58.725 59.856 -1.131 19354 6594 1 10 . 1 1 56 56 THR CB C 56 72.851 72.851 70.587 2.264 19354 6595 1 10 . 1 1 56 56 THR H H 56 7.343 7.343 7.676 -0.333 19354 6596 1 10 . 1 1 57 57 GLU N N 57 121.798 121.798 124.728 -2.930 19354 6597 1 10 . 1 1 57 57 GLU HA H 57 3.611 3.611 3.787 -0.176 19354 6598 1 10 . 1 1 57 57 GLU C C 57 178.417 178.417 178.001 0.416 19354 6599 1 10 . 1 1 57 57 GLU CA C 57 59.380 59.380 60.718 -1.338 19354 6600 1 10 . 1 1 57 57 GLU CB C 57 29.873 29.873 29.541 0.332 19354 6601 1 10 . 1 1 57 57 GLU H H 57 8.841 8.841 8.758 0.083 19354 6602 1 10 . 1 1 58 58 LYS N N 58 121.091 121.091 118.192 2.899 19354 6603 1 10 . 1 1 58 58 LYS HA H 58 3.903 3.903 3.929 -0.026 19354 6604 1 10 . 1 1 58 58 LYS C C 58 177.745 177.745 178.529 -0.784 19354 6605 1 10 . 1 1 58 58 LYS CA C 58 59.470 59.470 59.313 0.157 19354 6606 1 10 . 1 1 58 58 LYS CB C 58 32.130 32.130 31.784 0.346 19354 6607 1 10 . 1 1 58 58 LYS H H 58 8.307 8.307 7.684 0.623 19354 6608 1 10 . 1 1 59 59 GLU N N 59 117.790 117.790 120.267 -2.477 19354 6609 1 10 . 1 1 59 59 GLU HA H 59 3.852 3.852 3.988 -0.136 19354 6610 1 10 . 1 1 59 59 GLU C C 59 178.051 178.051 178.359 -0.308 19354 6611 1 10 . 1 1 59 59 GLU CA C 59 59.094 59.094 59.278 -0.184 19354 6612 1 10 . 1 1 59 59 GLU CB C 59 30.468 30.468 29.567 0.901 19354 6613 1 10 . 1 1 59 59 GLU H H 59 7.537 7.537 7.490 0.047 19354 6614 1 10 . 1 1 60 60 LEU N N 60 118.763 118.763 120.900 -2.137 19354 6615 1 10 . 1 1 60 60 LEU HA H 60 3.211 3.211 2.551 0.660 19354 6616 1 10 . 1 1 60 60 LEU C C 60 178.070 178.070 178.085 -0.015 19354 6617 1 10 . 1 1 60 60 LEU CA C 60 59.007 59.007 57.457 1.550 19354 6618 1 10 . 1 1 60 60 LEU CB C 60 42.750 42.750 41.724 1.026 19354 6619 1 10 . 1 1 60 60 LEU H H 60 7.321 7.321 7.242 0.079 19354 6620 1 10 . 1 1 61 61 ASN N N 61 116.987 116.987 116.565 0.422 19354 6621 1 10 . 1 1 61 61 ASN HA H 61 4.127 4.127 4.197 -0.070 19354 6622 1 10 . 1 1 61 61 ASN C C 61 177.689 177.689 177.424 0.265 19354 6623 1 10 . 1 1 61 61 ASN CA C 61 57.310 57.310 56.459 0.851 19354 6624 1 10 . 1 1 61 61 ASN CB C 61 39.288 39.288 38.440 0.848 19354 6625 1 10 . 1 1 61 61 ASN H H 61 8.335 8.335 8.286 0.049 19354 6626 1 10 . 1 1 62 62 ASP N N 62 120.935 120.935 118.929 2.006 19354 6627 1 10 . 1 1 62 62 ASP HA H 62 4.306 4.306 4.467 -0.161 19354 6628 1 10 . 1 1 62 62 ASP C C 62 178.868 178.868 178.530 0.338 19354 6629 1 10 . 1 1 62 62 ASP CA C 62 57.510 57.510 56.603 0.907 19354 6630 1 10 . 1 1 62 62 ASP CB C 62 39.596 39.596 40.569 -0.973 19354 6631 1 10 . 1 1 62 62 ASP H H 62 8.376 8.376 7.881 0.495 19354 6632 1 10 . 1 1 63 63 LYS N N 63 119.626 119.626 121.426 -1.800 19354 6633 1 10 . 1 1 63 63 LYS HA H 63 4.168 4.168 4.103 0.065 19354 6634 1 10 . 1 1 63 63 LYS C C 63 179.458 179.458 178.724 0.734 19354 6635 1 10 . 1 1 63 63 LYS CA C 63 55.698 55.698 58.899 -3.201 19354 6636 1 10 . 1 1 63 63 LYS CB C 63 31.082 31.082 31.939 -0.856 19354 6637 1 10 . 1 1 63 63 LYS H H 63 7.748 7.748 7.707 0.041 19354 6638 1 10 . 1 1 64 64 LEU N N 64 120.255 120.255 119.378 0.877 19354 6639 1 10 . 1 1 64 64 LEU HA H 64 3.688 3.688 3.992 -0.304 19354 6640 1 10 . 1 1 64 64 LEU C C 64 178.732 178.732 178.429 0.303 19354 6641 1 10 . 1 1 64 64 LEU CA C 64 57.722 57.722 58.047 -0.325 19354 6642 1 10 . 1 1 64 64 LEU CB C 64 41.236 41.236 40.889 0.347 19354 6643 1 10 . 1 1 64 64 LEU H H 64 8.221 8.221 7.883 0.338 19354 6644 1 10 . 1 1 65 65 ASN N N 65 113.630 113.630 117.800 -4.170 19354 6645 1 10 . 1 1 65 65 ASN HA H 65 4.580 4.580 4.518 0.062 19354 6646 1 10 . 1 1 65 65 ASN C C 65 178.394 178.394 177.783 0.611 19354 6647 1 10 . 1 1 65 65 ASN CA C 65 55.628 55.628 56.416 -0.788 19354 6648 1 10 . 1 1 65 65 ASN CB C 65 38.269 38.269 37.758 0.511 19354 6649 1 10 . 1 1 65 65 ASN H H 65 7.482 7.482 7.912 -0.430 19354 6650 1 10 . 1 1 66 66 ASP N N 66 120.683 120.683 119.493 1.190 19354 6651 1 10 . 1 1 66 66 ASP HA H 66 4.482 4.482 4.461 0.021 19354 6652 1 10 . 1 1 66 66 ASP C C 66 179.095 179.095 179.096 -0.001 19354 6653 1 10 . 1 1 66 66 ASP CA C 66 56.623 56.623 57.818 -1.195 19354 6654 1 10 . 1 1 66 66 ASP CB C 66 39.883 39.883 41.194 -1.311 19354 6655 1 10 . 1 1 66 66 ASP H H 66 7.834 7.834 8.395 -0.561 19354 6656 1 10 . 1 1 67 67 TYR N N 67 116.512 116.512 120.447 -3.935 19354 6657 1 10 . 1 1 67 67 TYR HA H 67 3.984 3.984 4.444 -0.460 19354 6658 1 10 . 1 1 67 67 TYR C C 67 176.554 176.554 177.490 -0.936 19354 6659 1 10 . 1 1 67 67 TYR CA C 67 62.142 62.142 60.392 1.750 19354 6660 1 10 . 1 1 67 67 TYR CB C 67 37.436 37.436 38.130 -0.694 19354 6661 1 10 . 1 1 67 67 TYR H H 67 8.132 8.132 7.481 0.651 19354 6662 1 10 . 1 1 68 68 TYR N N 68 118.786 118.786 120.148 -1.362 19354 6663 1 10 . 1 1 68 68 TYR HA H 68 3.632 3.632 3.090 0.542 19354 6664 1 10 . 1 1 68 68 TYR C C 68 177.915 177.915 177.735 0.180 19354 6665 1 10 . 1 1 68 68 TYR CA C 68 61.395 61.395 61.623 -0.228 19354 6666 1 10 . 1 1 68 68 TYR CB C 68 37.345 37.345 37.022 0.323 19354 6667 1 10 . 1 1 68 68 TYR H H 68 7.558 7.558 8.320 -0.762 19354 6668 1 10 . 1 1 69 69 ALA N N 69 120.715 120.715 121.945 -1.230 19354 6669 1 10 . 1 1 69 69 ALA HA H 69 3.935 3.935 3.921 0.014 19354 6670 1 10 . 1 1 69 69 ALA C C 69 179.390 179.390 179.020 0.370 19354 6671 1 10 . 1 1 69 69 ALA CA C 69 54.015 54.015 54.675 -0.660 19354 6672 1 10 . 1 1 69 69 ALA CB C 69 18.529 18.529 18.136 0.393 19354 6673 1 10 . 1 1 69 69 ALA H H 69 7.453 7.453 7.746 -0.293 19354 6674 1 10 . 1 1 70 70 LEU N N 70 117.212 117.212 118.991 -1.779 19354 6675 1 10 . 1 1 70 70 LEU HA H 70 3.765 3.765 3.822 -0.057 19354 6676 1 10 . 1 1 70 70 LEU C C 70 177.280 177.280 178.044 -0.764 19354 6677 1 10 . 1 1 70 70 LEU CA C 70 56.634 56.634 56.855 -0.221 19354 6678 1 10 . 1 1 70 70 LEU CB C 70 41.045 41.045 41.607 -0.562 19354 6679 1 10 . 1 1 70 70 LEU H H 70 7.764 7.764 8.035 -0.271 19354 6680 1 10 . 1 1 71 71 LYS N N 71 118.756 118.756 118.896 -0.140 19354 6681 1 10 . 1 1 71 71 LYS HA H 71 3.039 3.039 3.440 -0.401 19354 6682 1 10 . 1 1 71 71 LYS C C 71 177.121 177.121 177.727 -0.606 19354 6683 1 10 . 1 1 71 71 LYS CA C 71 58.865 58.865 58.713 0.152 19354 6684 1 10 . 1 1 71 71 LYS CB C 71 31.247 31.247 31.047 0.200 19354 6685 1 10 . 1 1 71 71 LYS H H 71 7.001 7.001 7.877 -0.876 19354 6686 1 10 . 1 1 72 72 HIS N N 72 113.331 113.331 117.487 -4.156 19354 6687 1 10 . 1 1 72 72 HIS HA H 72 4.304 4.304 4.293 0.011 19354 6688 1 10 . 1 1 72 72 HIS C C 72 174.232 174.232 176.092 -1.860 19354 6689 1 10 . 1 1 72 72 HIS CA C 72 57.245 57.245 58.773 -1.528 19354 6690 1 10 . 1 1 72 72 HIS CB C 72 30.221 30.221 30.210 0.011 19354 6691 1 10 . 1 1 72 72 HIS H H 72 6.973 6.973 7.551 -0.578 19354 6692 1 10 . 1 1 73 73 VAL N N 73 121.486 121.486 120.576 0.910 19354 6693 1 10 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.485 0.046 19354 6694 1 10 . 1 1 73 73 VAL CA C 73 59.159 59.159 59.334 -0.175 19354 6695 1 10 . 1 1 73 73 VAL CB C 73 30.604 30.604 33.321 -2.716 19354 6696 1 10 . 1 1 73 73 VAL H H 73 7.821 7.821 7.980 -0.159 19354 6697 1 10 . 1 1 74 74 PRO HA H 74 4.070 4.070 4.585 -0.515 19354 6698 1 10 . 1 1 74 74 PRO CA C 74 66.637 66.637 65.361 1.276 19354 6699 1 10 . 1 1 74 74 PRO CB C 74 32.212 32.212 32.154 0.058 19354 6700 1 10 . 1 1 75 75 LYS N N 75 116.832 116.832 117.337 -0.505 19354 6701 1 10 . 1 1 75 75 LYS HA H 75 4.099 4.099 4.187 -0.088 19354 6702 1 10 . 1 1 75 75 LYS C C 75 180.048 180.048 177.049 2.999 19354 6703 1 10 . 1 1 75 75 LYS CA C 75 59.398 59.398 58.703 0.695 19354 6704 1 10 . 1 1 75 75 LYS CB C 75 31.296 31.296 31.622 -0.326 19354 6705 1 10 . 1 1 75 75 LYS H H 75 9.234 9.234 8.648 0.586 19354 6706 1 10 . 1 1 76 76 CYS N N 76 116.333 116.333 117.259 -0.926 19354 6707 1 10 . 1 1 76 76 CYS HA H 76 4.320 4.320 4.729 -0.409 19354 6708 1 10 . 1 1 76 76 CYS C C 76 175.012 175.012 176.012 -1.000 19354 6709 1 10 . 1 1 76 76 CYS CA C 76 58.297 58.297 59.611 -1.314 19354 6710 1 10 . 1 1 76 76 CYS CB C 76 38.803 38.803 28.913 9.890 19354 6711 1 10 . 1 1 76 76 CYS H H 76 7.496 7.496 7.464 0.032 19354 6712 1 10 . 1 1 77 77 TRP N N 77 119.987 119.987 123.480 -3.493 19354 6713 1 10 . 1 1 77 77 TRP HA H 77 4.452 4.452 4.356 0.096 19354 6714 1 10 . 1 1 77 77 TRP C C 77 177.462 177.462 177.494 -0.032 19354 6715 1 10 . 1 1 77 77 TRP CA C 77 58.821 58.821 59.800 -0.979 19354 6716 1 10 . 1 1 77 77 TRP CB C 77 30.425 30.425 29.530 0.895 19354 6717 1 10 . 1 1 77 77 TRP H H 77 8.254 8.254 8.658 -0.404 19354 6718 1 10 . 1 1 78 78 ALA N N 78 116.093 116.093 120.850 -4.757 19354 6719 1 10 . 1 1 78 78 ALA HA H 78 3.736 3.736 3.472 0.264 19354 6720 1 10 . 1 1 78 78 ALA C C 78 178.845 178.845 179.118 -0.273 19354 6721 1 10 . 1 1 78 78 ALA CA C 78 54.188 54.188 54.295 -0.107 19354 6722 1 10 . 1 1 78 78 ALA CB C 78 18.323 18.323 17.422 0.901 19354 6723 1 10 . 1 1 78 78 ALA H H 78 7.968 7.968 7.815 0.153 19354 6724 1 10 . 1 1 79 79 ALA N N 79 116.351 116.351 119.697 -3.346 19354 6725 1 10 . 1 1 79 79 ALA HA H 79 4.147 4.147 4.113 0.034 19354 6726 1 10 . 1 1 79 79 ALA C C 79 178.414 178.414 177.719 0.695 19354 6727 1 10 . 1 1 79 79 ALA CA C 79 53.243 53.243 53.885 -0.642 19354 6728 1 10 . 1 1 79 79 ALA CB C 79 19.832 19.832 18.661 1.171 19354 6729 1 10 . 1 1 79 79 ALA H H 79 6.929 6.929 7.960 -1.031 19354 6730 1 10 . 1 1 80 80 ILE N N 80 115.150 115.150 117.498 -2.348 19354 6731 1 10 . 1 1 80 80 ILE HA H 80 4.218 4.218 4.329 -0.111 19354 6732 1 10 . 1 1 80 80 ILE C C 80 176.350 176.350 176.172 0.178 19354 6733 1 10 . 1 1 80 80 ILE CA C 80 62.069 62.069 59.774 2.295 19354 6734 1 10 . 1 1 80 80 ILE CB C 80 39.375 39.375 37.992 1.383 19354 6735 1 10 . 1 1 80 80 ILE H H 80 8.695 8.695 7.514 1.181 19354 6736 1 10 . 1 1 81 81 GLN N N 81 122.564 122.564 121.800 0.764 19354 6737 1 10 . 1 1 81 81 GLN HA H 81 3.332 3.332 4.029 -0.697 19354 6738 1 10 . 1 1 81 81 GLN C C 81 173.470 173.470 175.448 -1.978 19354 6739 1 10 . 1 1 81 81 GLN CA C 81 61.829 61.829 61.489 0.341 19354 6740 1 10 . 1 1 81 81 GLN CB C 81 25.973 25.973 27.021 -1.048 19354 6741 1 10 . 1 1 81 81 GLN H H 81 7.315 7.315 7.360 -0.045 19354 6742 1 10 . 1 1 82 82 PRO HA H 82 4.076 4.076 4.345 -0.269 19354 6743 1 10 . 1 1 82 82 PRO CA C 82 65.894 65.894 64.844 1.050 19354 6744 1 10 . 1 1 82 82 PRO CB C 82 30.481 30.481 31.689 -1.208 19354 6745 1 10 . 1 1 83 83 PHE N N 83 119.137 119.137 118.940 0.197 19354 6746 1 10 . 1 1 83 83 PHE HA H 83 4.289 4.289 4.423 -0.134 19354 6747 1 10 . 1 1 83 83 PHE C C 83 175.919 175.919 176.244 -0.325 19354 6748 1 10 . 1 1 83 83 PHE CA C 83 59.712 59.712 56.795 2.917 19354 6749 1 10 . 1 1 83 83 PHE CB C 83 39.329 39.329 39.028 0.301 19354 6750 1 10 . 1 1 83 83 PHE H H 83 6.892 6.892 7.867 -0.975 19354 6751 1 10 . 1 1 84 84 LEU N N 84 116.693 116.693 120.069 -3.376 19354 6752 1 10 . 1 1 84 84 LEU HA H 84 3.611 3.611 3.538 0.073 19354 6753 1 10 . 1 1 84 84 LEU C C 84 180.297 180.297 177.973 2.324 19354 6754 1 10 . 1 1 84 84 LEU CA C 84 57.952 57.952 58.237 -0.285 19354 6755 1 10 . 1 1 84 84 LEU CB C 84 41.645 41.645 41.170 0.475 19354 6756 1 10 . 1 1 84 84 LEU H H 84 8.589 8.589 8.035 0.554 19354 6757 1 10 . 1 1 85 85 CYS N N 85 115.085 115.085 116.005 -0.920 19354 6758 1 10 . 1 1 85 85 CYS HA H 85 4.127 4.127 4.212 -0.085 19354 6759 1 10 . 1 1 85 85 CYS C C 85 175.556 175.556 176.734 -1.178 19354 6760 1 10 . 1 1 85 85 CYS CA C 85 57.678 57.678 61.489 -3.811 19354 6761 1 10 . 1 1 85 85 CYS CB C 85 39.396 39.396 26.521 12.875 19354 6762 1 10 . 1 1 85 85 CYS H H 85 8.001 8.001 7.568 0.433 19354 6763 1 10 . 1 1 86 86 ALA N N 86 121.743 121.743 121.662 0.081 19354 6764 1 10 . 1 1 86 86 ALA HA H 86 3.922 3.922 4.232 -0.310 19354 6765 1 10 . 1 1 86 86 ALA C C 86 177.745 177.745 177.466 0.279 19354 6766 1 10 . 1 1 86 86 ALA CA C 86 54.306 54.306 53.731 0.575 19354 6767 1 10 . 1 1 86 86 ALA CB C 86 18.778 18.778 17.931 0.847 19354 6768 1 10 . 1 1 86 86 ALA H H 86 7.671 7.671 7.470 0.201 19354 6769 1 10 . 1 1 87 87 VAL N N 87 115.667 115.667 116.071 -0.404 19354 6770 1 10 . 1 1 87 87 VAL HA H 87 3.735 3.735 3.390 0.345 19354 6771 1 10 . 1 1 87 87 VAL C C 87 175.806 175.806 175.096 0.710 19354 6772 1 10 . 1 1 87 87 VAL CA C 87 64.622 64.622 63.714 0.908 19354 6773 1 10 . 1 1 87 87 VAL CB C 87 32.936 32.936 32.217 0.720 19354 6774 1 10 . 1 1 87 87 VAL H H 87 7.460 7.460 6.819 0.641 19354 6775 1 10 . 1 1 88 88 PHE N N 88 115.306 115.306 114.982 0.324 19354 6776 1 10 . 1 1 88 88 PHE HA H 88 4.048 4.048 4.563 -0.515 19354 6777 1 10 . 1 1 88 88 PHE C C 88 176.192 176.192 175.453 0.739 19354 6778 1 10 . 1 1 88 88 PHE CA C 88 60.420 60.420 58.041 2.379 19354 6779 1 10 . 1 1 88 88 PHE CB C 88 40.182 40.182 40.110 0.072 19354 6780 1 10 . 1 1 88 88 PHE H H 88 8.930 8.930 7.010 1.920 19354 6781 1 10 . 1 1 89 89 LYS N N 89 115.470 115.470 118.762 -3.292 19354 6782 1 10 . 1 1 89 89 LYS HA H 89 4.816 4.816 4.798 0.018 19354 6783 1 10 . 1 1 89 89 LYS C C 89 184.176 184.176 174.040 10.136 19354 6784 1 10 . 1 1 89 89 LYS CA C 89 53.428 53.428 53.444 -0.016 19354 6785 1 10 . 1 1 89 89 LYS CB C 89 33.274 33.274 32.563 0.711 19354 6786 1 10 . 1 1 89 89 LYS H H 89 7.802 7.802 7.639 0.163 19354 6787 1 10 . 1 1 90 90 PRO HA H 90 4.250 4.250 4.212 0.038 19354 6788 1 10 . 1 1 90 90 PRO CA C 90 62.682 62.682 62.297 0.385 19354 6789 1 10 . 1 1 90 90 PRO CB C 90 32.358 32.358 32.405 -0.047 19354 6790 1 10 . 1 1 91 91 LYS N N 91 122.391 122.391 120.360 2.031 19354 6791 1 10 . 1 1 91 91 LYS HA H 91 3.039 3.039 3.209 -0.170 19354 6792 1 10 . 1 1 91 91 LYS C C 91 173.356 173.356 175.200 -1.844 19354 6793 1 10 . 1 1 91 91 LYS CA C 91 58.027 58.027 55.062 2.965 19354 6794 1 10 . 1 1 91 91 LYS CB C 91 31.285 31.285 31.419 -0.134 19354 6795 1 10 . 1 1 91 91 LYS H H 91 8.537 8.537 8.173 0.364 19354 6796 1 10 . 1 1 92 92 CYS N N 92 127.562 127.562 126.663 0.899 19354 6797 1 10 . 1 1 92 92 CYS HA H 92 5.391 5.391 5.026 0.365 19354 6798 1 10 . 1 1 92 92 CYS C C 92 171.655 171.655 173.166 -1.511 19354 6799 1 10 . 1 1 92 92 CYS CA C 92 53.804 53.804 57.161 -3.357 19354 6800 1 10 . 1 1 92 92 CYS CB C 92 41.219 41.219 28.843 12.376 19354 6801 1 10 . 1 1 92 92 CYS H H 92 7.037 7.037 8.270 -1.233 19354 6802 1 10 . 1 1 93 93 GLU N N 93 124.483 124.483 125.218 -0.735 19354 6803 1 10 . 1 1 93 93 GLU HA H 93 4.492 4.492 4.623 -0.131 19354 6804 1 10 . 1 1 93 93 GLU C C 93 173.371 173.371 174.177 -0.806 19354 6805 1 10 . 1 1 93 93 GLU CA C 93 54.874 54.874 55.476 -0.602 19354 6806 1 10 . 1 1 93 93 GLU CB C 93 34.630 34.630 32.037 2.593 19354 6807 1 10 . 1 1 93 93 GLU H H 93 9.401 9.401 8.634 0.767 19354 6808 1 10 . 1 1 94 94 LYS N N 94 122.694 122.694 120.981 1.713 19354 6809 1 10 . 1 1 94 94 LYS HA H 94 4.581 4.581 4.775 -0.194 19354 6810 1 10 . 1 1 94 94 LYS C C 94 176.509 176.509 176.351 0.158 19354 6811 1 10 . 1 1 94 94 LYS CA C 94 55.856 55.856 55.436 0.420 19354 6812 1 10 . 1 1 94 94 LYS CB C 94 31.809 31.809 33.193 -1.384 19354 6813 1 10 . 1 1 94 94 LYS H H 94 8.526 8.526 8.554 -0.028 19354 6814 1 10 . 1 1 95 95 ILE N N 95 128.382 128.382 127.143 1.239 19354 6815 1 10 . 1 1 95 95 ILE HA H 95 4.049 4.049 4.070 -0.021 19354 6816 1 10 . 1 1 95 95 ILE C C 95 176.337 176.337 175.961 0.376 19354 6817 1 10 . 1 1 95 95 ILE CA C 95 60.847 60.847 60.920 -0.073 19354 6818 1 10 . 1 1 95 95 ILE CB C 95 39.625 39.625 38.083 1.542 19354 6819 1 10 . 1 1 95 95 ILE H H 95 9.001 9.001 8.669 0.332 19354 6820 1 10 . 1 1 96 96 ASN N N 96 127.596 127.596 127.746 -0.150 19354 6821 1 10 . 1 1 96 96 ASN HA H 96 4.212 4.212 4.415 -0.203 19354 6822 1 10 . 1 1 96 96 ASN C C 96 175.496 175.496 175.216 0.280 19354 6823 1 10 . 1 1 96 96 ASN CA C 96 53.970 53.970 53.821 0.149 19354 6824 1 10 . 1 1 96 96 ASN CB C 96 37.238 37.238 37.988 -0.750 19354 6825 1 10 . 1 1 96 96 ASN H H 96 9.474 9.474 9.379 0.095 19354 6826 1 10 . 1 1 97 97 GLY N N 97 101.656 101.656 103.010 -1.354 19354 6827 1 10 . 1 1 97 97 GLY C C 97 173.651 173.651 173.586 0.065 19354 6828 1 10 . 1 1 97 97 GLY CA C 97 45.167 45.167 44.872 0.295 19354 6829 1 10 . 1 1 97 97 GLY H H 97 8.476 8.476 8.029 0.447 19354 6830 1 10 . 1 1 98 98 GLU N N 98 120.042 120.042 120.658 -0.616 19354 6831 1 10 . 1 1 98 98 GLU HA H 98 4.587 4.587 4.473 0.114 19354 6832 1 10 . 1 1 98 98 GLU C C 98 174.422 174.422 174.989 -0.567 19354 6833 1 10 . 1 1 98 98 GLU CA C 98 54.294 54.294 54.509 -0.215 19354 6834 1 10 . 1 1 98 98 GLU CB C 98 32.934 32.934 31.689 1.245 19354 6835 1 10 . 1 1 98 98 GLU H H 98 7.591 7.591 7.850 -0.259 19354 6836 1 10 . 1 1 99 99 ASP N N 99 126.603 126.603 127.772 -1.169 19354 6837 1 10 . 1 1 99 99 ASP HA H 99 4.340 4.340 4.550 -0.210 19354 6838 1 10 . 1 1 99 99 ASP C C 99 176.214 176.214 175.676 0.538 19354 6839 1 10 . 1 1 99 99 ASP CA C 99 55.408 55.408 56.492 -1.084 19354 6840 1 10 . 1 1 99 99 ASP CB C 99 41.629 41.629 40.816 0.812 19354 6841 1 10 . 1 1 99 99 ASP H H 99 8.489 8.489 8.787 -0.298 19354 6842 1 10 . 1 1 100 100 MET N N 100 121.977 121.977 122.061 -0.084 19354 6843 1 10 . 1 1 100 100 MET HA H 100 4.911 4.911 5.589 -0.678 19354 6844 1 10 . 1 1 100 100 MET C C 100 172.900 172.900 174.798 -1.898 19354 6845 1 10 . 1 1 100 100 MET CA C 100 53.649 53.649 53.470 0.179 19354 6846 1 10 . 1 1 100 100 MET CB C 100 35.529 35.529 37.205 -1.676 19354 6847 1 10 . 1 1 100 100 MET H H 100 8.853 8.853 9.002 -0.149 19354 6848 1 10 . 1 1 101 101 VAL N N 101 119.963 119.963 113.003 6.960 19354 6849 1 10 . 1 1 101 101 VAL HA H 101 4.814 4.814 4.758 0.056 19354 6850 1 10 . 1 1 101 101 VAL C C 101 172.991 172.991 173.323 -0.332 19354 6851 1 10 . 1 1 101 101 VAL CA C 101 58.203 58.203 59.681 -1.478 19354 6852 1 10 . 1 1 101 101 VAL CB C 101 34.629 34.629 35.103 -0.474 19354 6853 1 10 . 1 1 101 101 VAL H H 101 8.964 8.964 8.084 0.880 19354 6854 1 10 . 1 1 102 102 TYR N N 102 125.849 125.849 120.923 4.926 19354 6855 1 10 . 1 1 102 102 TYR HA H 102 4.444 4.444 4.800 -0.356 19354 6856 1 10 . 1 1 102 102 TYR C C 102 176.464 176.464 176.075 0.389 19354 6857 1 10 . 1 1 102 102 TYR CA C 102 57.549 57.549 57.412 0.137 19354 6858 1 10 . 1 1 102 102 TYR CB C 102 38.274 38.274 40.281 -2.007 19354 6859 1 10 . 1 1 102 102 TYR H H 102 8.137 8.137 8.359 -0.222 19354 6860 1 10 . 1 1 103 103 LEU N N 103 123.151 123.151 121.718 1.433 19354 6861 1 10 . 1 1 103 103 LEU HA H 103 4.683 4.683 4.976 -0.293 19354 6862 1 10 . 1 1 103 103 LEU CA C 103 52.426 52.426 51.441 0.985 19354 6863 1 10 . 1 1 103 103 LEU CB C 103 42.038 42.038 41.445 0.593 19354 6864 1 10 . 1 1 103 103 LEU H H 103 8.308 8.308 8.118 0.190 19354 6865 1 10 . 1 1 104 104 PRO HA H 104 4.678 4.678 4.592 0.086 19354 6866 1 10 . 1 1 104 104 PRO CA C 104 61.704 61.704 62.663 -0.960 19354 6867 1 10 . 1 1 104 104 PRO CB C 104 32.020 32.020 33.320 -1.300 19354 6868 1 10 . 1 1 105 105 SER N N 105 113.955 113.955 113.706 0.249 19354 6869 1 10 . 1 1 105 105 SER HA H 105 4.632 4.632 4.826 -0.194 19354 6870 1 10 . 1 1 105 105 SER C C 105 175.473 175.473 176.157 -0.684 19354 6871 1 10 . 1 1 105 105 SER CA C 105 56.324 56.324 56.707 -0.383 19354 6872 1 10 . 1 1 105 105 SER CB C 105 65.193 65.193 65.908 -0.715 19354 6873 1 10 . 1 1 105 105 SER H H 105 7.668 7.668 7.978 -0.310 19354 6874 1 10 . 1 1 106 106 TYR N N 106 122.582 122.582 120.322 2.260 19354 6875 1 10 . 1 1 106 106 TYR HA H 106 3.724 3.724 4.097 -0.373 19354 6876 1 10 . 1 1 106 106 TYR C C 106 178.116 178.116 177.522 0.594 19354 6877 1 10 . 1 1 106 106 TYR CA C 106 62.057 62.057 60.794 1.263 19354 6878 1 10 . 1 1 106 106 TYR CB C 106 37.925 37.925 37.688 0.237 19354 6879 1 10 . 1 1 106 106 TYR H H 106 8.492 8.492 9.063 -0.571 19354 6880 1 10 . 1 1 107 107 GLU N N 107 118.362 118.362 119.294 -0.932 19354 6881 1 10 . 1 1 107 107 GLU HA H 107 3.846 3.846 3.519 0.327 19354 6882 1 10 . 1 1 107 107 GLU C C 107 177.421 177.421 178.536 -1.115 19354 6883 1 10 . 1 1 107 107 GLU CA C 107 58.867 58.867 59.071 -0.204 19354 6884 1 10 . 1 1 107 107 GLU CB C 107 28.969 28.969 28.741 0.228 19354 6885 1 10 . 1 1 107 107 GLU H H 107 8.503 8.503 7.918 0.585 19354 6886 1 10 . 1 1 108 108 MET N N 108 116.221 116.221 117.951 -1.730 19354 6887 1 10 . 1 1 108 108 MET HA H 108 3.708 3.708 3.831 -0.123 19354 6888 1 10 . 1 1 108 108 MET C C 108 176.804 176.804 177.720 -0.916 19354 6889 1 10 . 1 1 108 108 MET CA C 108 58.648 58.648 58.663 -0.015 19354 6890 1 10 . 1 1 108 108 MET CB C 108 33.058 33.058 32.106 0.952 19354 6891 1 10 . 1 1 108 108 MET H H 108 7.409 7.409 7.774 -0.365 19354 6892 1 10 . 1 1 109 109 CYS N N 109 114.131 114.131 116.447 -2.316 19354 6893 1 10 . 1 1 109 109 CYS HA H 109 3.857 3.857 3.740 0.117 19354 6894 1 10 . 1 1 109 109 CYS C C 109 178.047 178.047 176.643 1.404 19354 6895 1 10 . 1 1 109 109 CYS CA C 109 58.737 58.737 60.324 -1.587 19354 6896 1 10 . 1 1 109 109 CYS CB C 109 35.006 35.006 26.159 8.847 19354 6897 1 10 . 1 1 109 109 CYS H H 109 6.817 6.817 7.649 -0.832 19354 6898 1 10 . 1 1 110 110 ARG N N 110 124.629 124.629 121.458 3.171 19354 6899 1 10 . 1 1 110 110 ARG HA H 110 3.376 3.376 4.012 -0.636 19354 6900 1 10 . 1 1 110 110 ARG C C 110 179.435 179.435 178.085 1.350 19354 6901 1 10 . 1 1 110 110 ARG CA C 110 59.641 59.641 59.156 0.485 19354 6902 1 10 . 1 1 110 110 ARG CB C 110 29.273 29.273 29.515 -0.242 19354 6903 1 10 . 1 1 110 110 ARG H H 110 8.885 8.885 7.645 1.240 19354 6904 1 10 . 1 1 111 111 ILE N N 111 113.379 113.379 116.936 -3.557 19354 6905 1 10 . 1 1 111 111 ILE HA H 111 3.796 3.796 3.817 -0.021 19354 6906 1 10 . 1 1 111 111 ILE C C 111 175.624 175.624 177.098 -1.474 19354 6907 1 10 . 1 1 111 111 ILE CA C 111 63.811 63.811 64.115 -0.304 19354 6908 1 10 . 1 1 111 111 ILE CB C 111 38.229 38.229 36.856 1.373 19354 6909 1 10 . 1 1 111 111 ILE H H 111 7.422 7.422 7.948 -0.526 19354 6910 1 10 . 1 1 112 112 THR N N 112 109.403 109.403 109.774 -0.371 19354 6911 1 10 . 1 1 112 112 THR HA H 112 3.889 3.889 4.283 -0.394 19354 6912 1 10 . 1 1 112 112 THR C C 112 175.798 175.798 176.215 -0.417 19354 6913 1 10 . 1 1 112 112 THR CA C 112 62.856 62.856 64.602 -1.746 19354 6914 1 10 . 1 1 112 112 THR CB C 112 70.168 70.168 69.596 0.572 19354 6915 1 10 . 1 1 112 112 THR H H 112 7.574 7.574 7.468 0.106 19354 6916 1 10 . 1 1 113 113 MET N N 113 119.638 119.638 122.296 -2.658 19354 6917 1 10 . 1 1 113 113 MET HA H 113 3.541 3.541 4.331 -0.790 19354 6918 1 10 . 1 1 113 113 MET C C 113 177.174 177.174 178.289 -1.115 19354 6919 1 10 . 1 1 113 113 MET CA C 113 60.235 60.235 59.486 0.749 19354 6920 1 10 . 1 1 113 113 MET CB C 113 32.338 32.338 32.396 -0.058 19354 6921 1 10 . 1 1 113 113 MET H H 113 7.152 7.152 7.259 -0.107 19354 6922 1 10 . 1 1 114 114 GLU N N 114 117.224 117.224 119.369 -2.145 19354 6923 1 10 . 1 1 114 114 GLU HA H 114 4.114 4.114 4.103 0.011 19354 6924 1 10 . 1 1 114 114 GLU CA C 114 60.422 60.422 60.567 -0.145 19354 6925 1 10 . 1 1 114 114 GLU CB C 114 26.103 26.103 28.520 -2.417 19354 6926 1 10 . 1 1 114 114 GLU H H 114 8.580 8.580 7.819 0.761 19354 6927 1 10 . 1 1 115 115 PRO HA H 115 4.304 4.304 4.401 -0.097 19354 6928 1 10 . 1 1 115 115 PRO CA C 115 65.128 65.128 64.021 1.107 19354 6929 1 10 . 1 1 115 115 PRO CB C 115 31.141 31.141 32.006 -0.865 19354 6930 1 10 . 1 1 116 116 CYS N N 116 111.879 111.879 121.417 -9.538 19354 6931 1 10 . 1 1 116 116 CYS HA H 116 4.679 4.679 4.800 -0.121 19354 6932 1 10 . 1 1 116 116 CYS C C 116 174.808 174.808 175.311 -0.503 19354 6933 1 10 . 1 1 116 116 CYS CA C 116 54.060 54.060 58.462 -4.402 19354 6934 1 10 . 1 1 116 116 CYS CB C 116 42.879 42.879 25.041 17.838 19354 6935 1 10 . 1 1 116 116 CYS H H 116 7.208 7.208 8.381 -1.173 19354 6936 1 10 . 1 1 117 117 ARG N N 117 123.750 123.750 124.361 -0.611 19354 6937 1 10 . 1 1 117 117 ARG HA H 117 3.161 3.161 4.360 -1.199 19354 6938 1 10 . 1 1 117 117 ARG C C 117 178.210 178.210 177.414 0.796 19354 6939 1 10 . 1 1 117 117 ARG CA C 117 59.743 59.743 59.066 0.676 19354 6940 1 10 . 1 1 117 117 ARG CB C 117 29.486 29.486 30.974 -1.488 19354 6941 1 10 . 1 1 117 117 ARG H H 117 7.436 7.436 7.795 -0.359 19354 6942 1 10 . 1 1 118 118 ILE N N 118 116.384 116.384 118.098 -1.714 19354 6943 1 10 . 1 1 118 118 ILE HA H 118 4.000 4.000 3.568 0.432 19354 6944 1 10 . 1 1 118 118 ILE C C 118 176.577 176.577 176.116 0.461 19354 6945 1 10 . 1 1 118 118 ILE CA C 118 63.166 63.166 62.630 0.536 19354 6946 1 10 . 1 1 118 118 ILE CB C 118 37.781 37.781 36.868 0.913 19354 6947 1 10 . 1 1 118 118 ILE H H 118 8.130 8.130 8.260 -0.130 19354 6948 1 10 . 1 1 119 119 LEU N N 119 119.738 119.738 118.483 1.255 19354 6949 1 10 . 1 1 119 119 LEU HA H 119 4.540 4.540 4.104 0.436 19354 6950 1 10 . 1 1 119 119 LEU C C 119 178.346 178.346 177.116 1.230 19354 6951 1 10 . 1 1 119 119 LEU CA C 119 54.697 54.697 53.562 1.135 19354 6952 1 10 . 1 1 119 119 LEU CB C 119 42.872 42.872 40.540 2.332 19354 6953 1 10 . 1 1 119 119 LEU H H 119 7.771 7.771 7.354 0.417 19354 6954 1 10 . 1 1 120 120 TYR N N 120 121.945 121.945 116.801 5.144 19354 6955 1 10 . 1 1 120 120 TYR HA H 120 4.125 4.125 4.140 -0.015 19354 6956 1 10 . 1 1 120 120 TYR C C 120 176.169 176.169 176.081 0.088 19354 6957 1 10 . 1 1 120 120 TYR CA C 120 59.682 59.682 59.286 0.396 19354 6958 1 10 . 1 1 120 120 TYR CB C 120 37.180 37.180 37.834 -0.654 19354 6959 1 10 . 1 1 120 120 TYR H H 120 7.886 7.886 6.976 0.910 19354 6960 1 10 . 1 1 121 121 ASN N N 121 115.992 115.992 111.214 4.778 19354 6961 1 10 . 1 1 121 121 ASN HA H 121 4.885 4.885 4.720 0.165 19354 6962 1 10 . 1 1 121 121 ASN C C 121 175.612 175.612 174.949 0.663 19354 6963 1 10 . 1 1 121 121 ASN CA C 121 52.670 52.670 53.422 -0.752 19354 6964 1 10 . 1 1 121 121 ASN CB C 121 38.058 38.058 38.771 -0.713 19354 6965 1 10 . 1 1 121 121 ASN H H 121 8.228 8.228 8.160 0.068 19354 6966 1 10 . 1 1 122 122 THR N N 122 109.094 109.094 115.681 -6.587 19354 6967 1 10 . 1 1 122 122 THR HA H 122 4.682 4.682 4.284 0.398 19354 6968 1 10 . 1 1 122 122 THR C C 122 175.844 175.844 175.116 0.728 19354 6969 1 10 . 1 1 122 122 THR CA C 122 61.815 61.815 62.761 -0.947 19354 6970 1 10 . 1 1 122 122 THR CB C 122 72.484 72.484 70.013 2.471 19354 6971 1 10 . 1 1 122 122 THR H H 122 7.649 7.649 8.236 -0.587 19354 6972 1 10 . 1 1 123 123 THR N N 123 112.067 112.067 118.031 -5.964 19354 6973 1 10 . 1 1 123 123 THR HA H 123 4.026 4.026 4.504 -0.478 19354 6974 1 10 . 1 1 123 123 THR C C 123 175.033 175.033 173.585 1.448 19354 6975 1 10 . 1 1 123 123 THR CA C 123 63.174 63.174 62.944 0.230 19354 6976 1 10 . 1 1 123 123 THR CB C 123 68.529 68.529 68.450 0.079 19354 6977 1 10 . 1 1 123 123 THR H H 123 8.261 8.261 8.521 -0.260 19354 6978 1 10 . 1 1 124 124 PHE N N 124 118.139 118.139 124.647 -6.508 19354 6979 1 10 . 1 1 124 124 PHE HA H 124 4.153 4.153 4.309 -0.156 19354 6980 1 10 . 1 1 124 124 PHE C C 124 175.398 175.398 173.796 1.602 19354 6981 1 10 . 1 1 124 124 PHE CA C 124 59.890 59.890 57.987 1.903 19354 6982 1 10 . 1 1 124 124 PHE CB C 124 39.668 39.668 41.761 -2.094 19354 6983 1 10 . 1 1 124 124 PHE H H 124 7.764 7.764 7.898 -0.134 19354 6984 1 10 . 1 1 125 125 PHE N N 125 118.447 118.447 114.769 3.678 19354 6985 1 10 . 1 1 125 125 PHE HA H 125 4.662 4.662 5.083 -0.421 19354 6986 1 10 . 1 1 125 125 PHE CA C 125 56.245 56.245 55.397 0.848 19354 6987 1 10 . 1 1 125 125 PHE CB C 125 38.810 38.810 40.033 -1.223 19354 6988 1 10 . 1 1 125 125 PHE H H 125 7.670 7.670 8.277 -0.607 19354 6989 1 10 . 1 1 126 126 PRO HA H 126 4.398 4.398 4.491 -0.093 19354 6990 1 10 . 1 1 126 126 PRO CA C 126 62.432 62.432 64.997 -2.565 19354 6991 1 10 . 1 1 126 126 PRO CB C 126 32.670 32.670 32.445 0.225 19354 6992 1 10 . 1 1 127 127 LYS N N 127 118.753 118.753 118.311 0.442 19354 6993 1 10 . 1 1 127 127 LYS HA H 127 3.580 3.580 4.190 -0.610 19354 6994 1 10 . 1 1 127 127 LYS C C 127 177.977 177.977 179.341 -1.364 19354 6995 1 10 . 1 1 127 127 LYS CA C 127 60.279 60.279 58.960 1.319 19354 6996 1 10 . 1 1 127 127 LYS CB C 127 31.599 31.599 31.602 -0.003 19354 6997 1 10 . 1 1 127 127 LYS H H 127 8.565 8.565 8.418 0.147 19354 6998 1 10 . 1 1 128 128 PHE N N 128 110.638 110.638 120.182 -9.544 19354 6999 1 10 . 1 1 128 128 PHE HA H 128 4.481 4.481 4.567 -0.086 19354 7000 1 10 . 1 1 128 128 PHE C C 128 173.946 173.946 174.637 -0.691 19354 7001 1 10 . 1 1 128 128 PHE CA C 128 57.841 57.841 60.178 -2.337 19354 7002 1 10 . 1 1 128 128 PHE CB C 128 36.807 36.807 39.363 -2.556 19354 7003 1 10 . 1 1 128 128 PHE H H 128 6.795 6.795 8.180 -1.385 19354 7004 1 10 . 1 1 129 129 LEU N N 129 119.653 119.653 114.688 4.965 19354 7005 1 10 . 1 1 129 129 LEU HA H 129 4.710 4.710 4.173 0.537 19354 7006 1 10 . 1 1 129 129 LEU C C 129 175.398 175.398 175.569 -0.171 19354 7007 1 10 . 1 1 129 129 LEU CA C 129 53.169 53.169 52.787 0.382 19354 7008 1 10 . 1 1 129 129 LEU CB C 129 44.901 44.901 40.217 4.684 19354 7009 1 10 . 1 1 129 129 LEU H H 129 7.204 7.204 7.109 0.095 19354 7010 1 10 . 1 1 130 130 ARG N N 130 116.807 116.807 124.384 -7.577 19354 7011 1 10 . 1 1 130 130 ARG HA H 130 4.328 4.328 4.186 0.142 19354 7012 1 10 . 1 1 130 130 ARG C C 130 177.099 177.099 175.083 2.016 19354 7013 1 10 . 1 1 130 130 ARG CA C 130 55.250 55.250 56.845 -1.595 19354 7014 1 10 . 1 1 130 130 ARG CB C 130 30.355 30.355 28.135 2.220 19354 7015 1 10 . 1 1 130 130 ARG H H 130 7.090 7.090 8.257 -1.167 19354 7016 1 10 . 1 1 131 131 CYS N N 131 117.271 117.271 122.722 -5.451 19354 7017 1 10 . 1 1 131 131 CYS HA H 131 4.588 4.588 4.752 -0.164 19354 7018 1 10 . 1 1 131 131 CYS C C 131 175.022 175.022 172.894 2.128 19354 7019 1 10 . 1 1 131 131 CYS CA C 131 54.449 54.449 57.959 -3.510 19354 7020 1 10 . 1 1 131 131 CYS CB C 131 34.958 34.958 31.786 3.172 19354 7021 1 10 . 1 1 131 131 CYS H H 131 8.210 8.210 8.231 -0.021 19354 7022 1 10 . 1 1 132 132 ASN N N 132 120.232 120.232 124.280 -4.048 19354 7023 1 10 . 1 1 132 132 ASN HA H 132 4.811 4.811 4.682 0.129 19354 7024 1 10 . 1 1 132 132 ASN C C 132 175.080 175.080 174.564 0.516 19354 7025 1 10 . 1 1 132 132 ASN CA C 132 53.188 53.188 53.096 0.091 19354 7026 1 10 . 1 1 132 132 ASN CB C 132 40.003 40.003 39.424 0.579 19354 7027 1 10 . 1 1 132 132 ASN H H 132 7.801 7.801 8.499 -0.698 19354 7028 1 10 . 1 1 133 133 GLU N N 133 123.435 123.435 123.645 -0.210 19354 7029 1 10 . 1 1 133 133 GLU HA H 133 4.225 4.225 4.357 -0.132 19354 7030 1 10 . 1 1 133 133 GLU C C 133 176.447 176.447 177.414 -0.967 19354 7031 1 10 . 1 1 133 133 GLU CA C 133 57.928 57.928 57.060 0.868 19354 7032 1 10 . 1 1 133 133 GLU CB C 133 29.822 29.822 30.796 -0.974 19354 7033 1 10 . 1 1 133 133 GLU H H 133 9.086 9.086 8.747 0.339 19354 7034 1 10 . 1 1 134 134 THR N N 134 113.403 113.403 115.186 -1.783 19354 7035 1 10 . 1 1 134 134 THR HA H 134 3.964 3.964 4.082 -0.118 19354 7036 1 10 . 1 1 134 134 THR C C 134 174.853 174.853 175.724 -0.871 19354 7037 1 10 . 1 1 134 134 THR CA C 134 63.694 63.694 64.249 -0.555 19354 7038 1 10 . 1 1 134 134 THR CB C 134 68.841 68.841 68.974 -0.133 19354 7039 1 10 . 1 1 134 134 THR H H 134 8.067 8.067 8.183 -0.116 19354 7040 1 10 . 1 1 135 135 LEU N N 135 121.377 121.377 118.640 2.737 19354 7041 1 10 . 1 1 135 135 LEU HA H 135 3.964 3.964 4.394 -0.430 19354 7042 1 10 . 1 1 135 135 LEU C C 135 176.215 176.215 175.686 0.529 19354 7043 1 10 . 1 1 135 135 LEU CA C 135 55.656 55.656 55.145 0.511 19354 7044 1 10 . 1 1 135 135 LEU CB C 135 42.291 42.291 42.773 -0.481 19354 7045 1 10 . 1 1 135 135 LEU H H 135 7.448 7.448 7.570 -0.122 19354 7046 1 10 . 1 1 136 136 PHE N N 136 117.704 117.704 118.655 -0.951 19354 7047 1 10 . 1 1 136 136 PHE HA H 136 5.202 5.202 4.840 0.362 19354 7048 1 10 . 1 1 136 136 PHE C C 136 179.412 179.412 174.920 4.492 19354 7049 1 10 . 1 1 136 136 PHE CA C 136 53.495 53.495 54.686 -1.191 19354 7050 1 10 . 1 1 136 136 PHE CB C 136 39.248 39.248 39.178 0.070 19354 7051 1 10 . 1 1 136 136 PHE H H 136 7.542 7.542 8.465 -0.923 19354 7052 1 10 . 1 1 137 137 PRO HA H 137 4.528 4.528 4.324 0.204 19354 7053 1 10 . 1 1 137 137 PRO CA C 137 62.949 62.949 63.843 -0.893 19354 7054 1 10 . 1 1 137 137 PRO CB C 137 32.242 32.242 32.236 0.006 19354 7055 1 10 . 1 1 138 138 THR N N 138 114.025 114.025 113.800 0.225 19354 7056 1 10 . 1 1 138 138 THR HA H 138 4.324 4.324 3.994 0.330 19354 7057 1 10 . 1 1 138 138 THR C C 138 174.175 174.175 174.609 -0.434 19354 7058 1 10 . 1 1 138 138 THR CA C 138 61.863 61.863 64.221 -2.357 19354 7059 1 10 . 1 1 138 138 THR CB C 138 69.742 69.742 68.828 0.914 19354 7060 1 10 . 1 1 138 138 THR H H 138 8.452 8.452 8.333 0.119 19354 7061 1 11 . 1 1 13 13 GLY N N 13 110.400 110.400 109.778 0.622 19354 7062 1 11 . 1 1 13 13 GLY C C 13 173.560 173.560 173.358 0.202 19354 7063 1 11 . 1 1 13 13 GLY CA C 13 45.111 45.111 44.527 0.584 19354 7064 1 11 . 1 1 13 13 GLY H H 13 8.335 8.335 8.429 -0.094 19354 7065 1 11 . 1 1 14 14 LEU N N 14 121.222 121.222 124.174 -2.952 19354 7066 1 11 . 1 1 14 14 LEU HA H 14 4.378 4.378 4.535 -0.157 19354 7067 1 11 . 1 1 14 14 LEU C C 14 177.119 177.119 176.939 0.180 19354 7068 1 11 . 1 1 14 14 LEU CA C 14 54.838 54.838 54.048 0.790 19354 7069 1 11 . 1 1 14 14 LEU CB C 14 42.429 42.429 43.376 -0.947 19354 7070 1 11 . 1 1 14 14 LEU H H 14 7.915 7.915 8.173 -0.258 19354 7071 1 11 . 1 1 15 15 VAL N N 15 123.222 123.222 124.583 -1.361 19354 7072 1 11 . 1 1 15 15 VAL HA H 15 4.335 4.335 3.944 0.391 19354 7073 1 11 . 1 1 15 15 VAL C C 15 175.602 175.602 175.549 0.053 19354 7074 1 11 . 1 1 15 15 VAL CA C 15 59.375 59.375 61.618 -2.243 19354 7075 1 11 . 1 1 15 15 VAL CB C 15 33.197 33.197 33.043 0.154 19354 7076 1 11 . 1 1 15 15 VAL H H 15 8.297 8.297 8.602 -0.305 19354 7077 1 11 . 1 1 16 16 PRO HA H 16 4.379 4.379 4.378 0.001 19354 7078 1 11 . 1 1 16 16 PRO CA C 16 62.925 62.925 64.440 -1.515 19354 7079 1 11 . 1 1 16 16 PRO CB C 16 32.043 32.043 32.032 0.011 19354 7080 1 11 . 1 1 17 17 ARG N N 17 122.742 122.742 116.792 5.950 19354 7081 1 11 . 1 1 17 17 ARG HA H 17 4.219 4.219 4.000 0.219 19354 7082 1 11 . 1 1 17 17 ARG C C 17 176.586 176.586 176.197 0.389 19354 7083 1 11 . 1 1 17 17 ARG CA C 17 55.479 55.479 56.405 -0.926 19354 7084 1 11 . 1 1 17 17 ARG CB C 17 30.889 30.889 29.072 1.817 19354 7085 1 11 . 1 1 17 17 ARG H H 17 8.469 8.469 8.660 -0.191 19354 7086 1 11 . 1 1 18 18 GLY N N 18 111.993 111.993 104.827 7.166 19354 7087 1 11 . 1 1 18 18 GLY C C 18 174.453 174.453 173.719 0.734 19354 7088 1 11 . 1 1 18 18 GLY CA C 18 45.670 45.670 45.559 0.111 19354 7089 1 11 . 1 1 18 18 GLY H H 18 8.538 8.538 8.399 0.139 19354 7090 1 11 . 1 1 19 19 SER HA H 19 4.318 4.318 4.328 -0.010 19354 7091 1 11 . 1 1 19 19 SER CA C 19 58.480 58.480 57.217 1.264 19354 7092 1 11 . 1 1 19 19 SER CB C 19 63.535 63.535 64.743 -1.208 19354 7093 1 11 . 1 1 20 20 HIS N N 20 120.039 120.039 116.702 3.337 19354 7094 1 11 . 1 1 20 20 HIS HA H 20 4.678 4.678 4.947 -0.269 19354 7095 1 11 . 1 1 20 20 HIS C C 20 174.263 174.263 174.739 -0.476 19354 7096 1 11 . 1 1 20 20 HIS CA C 20 55.889 55.889 55.564 0.325 19354 7097 1 11 . 1 1 20 20 HIS CB C 20 32.027 32.027 29.562 2.465 19354 7098 1 11 . 1 1 20 20 HIS H H 20 8.344 8.344 8.480 -0.136 19354 7099 1 11 . 1 1 21 21 MET N N 21 120.453 120.453 118.873 1.580 19354 7100 1 11 . 1 1 21 21 MET HA H 21 4.676 4.676 4.619 0.057 19354 7101 1 11 . 1 1 21 21 MET C C 21 174.808 174.808 174.607 0.201 19354 7102 1 11 . 1 1 21 21 MET CA C 21 54.232 54.232 55.665 -1.433 19354 7103 1 11 . 1 1 21 21 MET CB C 21 32.377 32.377 33.872 -1.495 19354 7104 1 11 . 1 1 21 21 MET H H 21 8.587 8.587 7.850 0.737 19354 7105 1 11 . 1 1 22 22 VAL N N 22 112.794 112.794 115.408 -2.614 19354 7106 1 11 . 1 1 22 22 VAL HA H 22 5.297 5.297 4.855 0.442 19354 7107 1 11 . 1 1 22 22 VAL C C 22 175.218 175.218 174.227 0.991 19354 7108 1 11 . 1 1 22 22 VAL CA C 22 57.885 57.885 60.030 -2.145 19354 7109 1 11 . 1 1 22 22 VAL CB C 22 35.895 35.895 35.578 0.317 19354 7110 1 11 . 1 1 22 22 VAL H H 22 7.805 7.805 7.491 0.314 19354 7111 1 11 . 1 1 23 23 ARG N N 23 117.854 117.854 120.987 -3.133 19354 7112 1 11 . 1 1 23 23 ARG HA H 23 4.578 4.578 4.656 -0.078 19354 7113 1 11 . 1 1 23 23 ARG C C 23 174.128 174.128 174.710 -0.582 19354 7114 1 11 . 1 1 23 23 ARG CA C 23 54.192 54.192 54.959 -0.767 19354 7115 1 11 . 1 1 23 23 ARG CB C 23 34.757 34.757 33.489 1.268 19354 7116 1 11 . 1 1 23 23 ARG H H 23 8.430 8.430 7.963 0.467 19354 7117 1 11 . 1 1 24 24 ARG N N 24 124.928 124.928 125.328 -0.400 19354 7118 1 11 . 1 1 24 24 ARG HA H 24 4.619 4.619 4.432 0.187 19354 7119 1 11 . 1 1 24 24 ARG C C 24 176.265 176.265 175.507 0.758 19354 7120 1 11 . 1 1 24 24 ARG CA C 24 57.824 57.824 56.880 0.944 19354 7121 1 11 . 1 1 24 24 ARG CB C 24 29.913 29.913 28.129 1.784 19354 7122 1 11 . 1 1 24 24 ARG H H 24 8.569 8.569 8.742 -0.173 19354 7123 1 11 . 1 1 25 25 ALA N N 25 127.390 127.390 125.613 1.777 19354 7124 1 11 . 1 1 25 25 ALA HA H 25 4.379 4.379 4.548 -0.169 19354 7125 1 11 . 1 1 25 25 ALA C C 25 174.173 174.173 177.094 -2.921 19354 7126 1 11 . 1 1 25 25 ALA CA C 25 51.382 51.382 50.642 0.740 19354 7127 1 11 . 1 1 25 25 ALA CB C 25 23.050 23.050 21.047 2.003 19354 7128 1 11 . 1 1 25 25 ALA H H 25 8.082 8.082 8.080 0.002 19354 7129 1 11 . 1 1 26 26 ARG N N 26 116.820 116.820 118.423 -1.603 19354 7130 1 11 . 1 1 26 26 ARG HA H 26 4.692 4.692 4.484 0.208 19354 7131 1 11 . 1 1 26 26 ARG C C 26 177.847 177.847 174.702 3.145 19354 7132 1 11 . 1 1 26 26 ARG CA C 26 55.271 55.271 56.290 -1.019 19354 7133 1 11 . 1 1 26 26 ARG CB C 26 31.215 31.215 32.190 -0.974 19354 7134 1 11 . 1 1 26 26 ARG H H 26 8.133 8.133 8.660 -0.527 19354 7135 1 11 . 1 1 27 27 CYS N N 27 126.567 126.567 119.059 7.508 19354 7136 1 11 . 1 1 27 27 CYS HA H 27 5.732 5.732 4.993 0.739 19354 7137 1 11 . 1 1 27 27 CYS C C 27 175.288 175.288 173.164 2.124 19354 7138 1 11 . 1 1 27 27 CYS CA C 27 51.785 51.785 57.987 -6.202 19354 7139 1 11 . 1 1 27 27 CYS CB C 27 38.246 38.246 30.043 8.203 19354 7140 1 11 . 1 1 27 27 CYS H H 27 9.709 9.709 8.318 1.391 19354 7141 1 11 . 1 1 28 28 TYR N N 28 120.309 120.309 122.757 -2.448 19354 7142 1 11 . 1 1 28 28 TYR HA H 28 5.079 5.079 5.110 -0.031 19354 7143 1 11 . 1 1 28 28 TYR CA C 28 54.951 54.951 54.384 0.567 19354 7144 1 11 . 1 1 28 28 TYR CB C 28 39.807 39.807 38.934 0.873 19354 7145 1 11 . 1 1 28 28 TYR H H 28 8.870 8.870 8.943 -0.073 19354 7146 1 11 . 1 1 29 29 PRO HA H 29 4.836 4.836 4.841 -0.005 19354 7147 1 11 . 1 1 29 29 PRO CA C 29 61.773 61.773 62.682 -0.909 19354 7148 1 11 . 1 1 29 29 PRO CB C 29 31.173 31.173 32.225 -1.052 19354 7149 1 11 . 1 1 30 30 THR N N 30 115.177 115.177 118.864 -3.687 19354 7150 1 11 . 1 1 30 30 THR HA H 30 4.253 4.253 4.280 -0.027 19354 7151 1 11 . 1 1 30 30 THR C C 30 173.688 173.688 175.174 -1.486 19354 7152 1 11 . 1 1 30 30 THR CA C 30 61.324 61.324 64.129 -2.805 19354 7153 1 11 . 1 1 30 30 THR CB C 30 70.191 70.191 69.246 0.945 19354 7154 1 11 . 1 1 30 30 THR H H 30 7.978 7.978 8.745 -0.767 19354 7155 1 11 . 1 1 31 31 SER N N 31 116.822 116.822 115.507 1.315 19354 7156 1 11 . 1 1 31 31 SER HA H 31 4.702 4.702 4.682 0.020 19354 7157 1 11 . 1 1 31 31 SER C C 31 175.079 175.079 175.020 0.059 19354 7158 1 11 . 1 1 31 31 SER CA C 31 57.057 57.057 57.204 -0.147 19354 7159 1 11 . 1 1 31 31 SER CB C 31 66.020 66.020 65.177 0.843 19354 7160 1 11 . 1 1 31 31 SER H H 31 8.451 8.451 8.253 0.198 19354 7161 1 11 . 1 1 32 32 ASN N N 32 118.803 118.803 119.428 -0.625 19354 7162 1 11 . 1 1 32 32 ASN HA H 32 4.385 4.385 4.652 -0.267 19354 7163 1 11 . 1 1 32 32 ASN C C 32 175.705 175.705 176.007 -0.302 19354 7164 1 11 . 1 1 32 32 ASN CA C 32 55.564 55.564 55.422 0.142 19354 7165 1 11 . 1 1 32 32 ASN CB C 32 37.637 37.637 38.936 -1.299 19354 7166 1 11 . 1 1 32 32 ASN H H 32 8.802 8.802 8.717 0.085 19354 7167 1 11 . 1 1 33 33 ALA N N 33 118.571 118.571 121.276 -2.705 19354 7168 1 11 . 1 1 33 33 ALA HA H 33 4.262 4.262 4.374 -0.112 19354 7169 1 11 . 1 1 33 33 ALA C C 33 179.229 179.229 177.399 1.830 19354 7170 1 11 . 1 1 33 33 ALA CA C 33 53.087 53.087 53.609 -0.522 19354 7171 1 11 . 1 1 33 33 ALA CB C 33 19.563 19.563 19.507 0.056 19354 7172 1 11 . 1 1 33 33 ALA H H 33 8.004 8.004 7.788 0.216 19354 7173 1 11 . 1 1 34 34 THR N N 34 106.312 106.312 110.305 -3.993 19354 7174 1 11 . 1 1 34 34 THR HA H 34 4.581 4.581 4.266 0.315 19354 7175 1 11 . 1 1 34 34 THR C C 34 175.334 175.334 172.951 2.383 19354 7176 1 11 . 1 1 34 34 THR CA C 34 60.586 60.586 61.624 -1.038 19354 7177 1 11 . 1 1 34 34 THR CB C 34 70.195 70.195 69.771 0.424 19354 7178 1 11 . 1 1 34 34 THR H H 34 7.551 7.551 7.512 0.039 19354 7179 1 11 . 1 1 35 35 ASN N N 35 122.599 122.599 122.435 0.164 19354 7180 1 11 . 1 1 35 35 ASN HA H 35 4.528 4.528 4.645 -0.117 19354 7181 1 11 . 1 1 35 35 ASN C C 35 174.221 174.221 174.054 0.167 19354 7182 1 11 . 1 1 35 35 ASN CA C 35 52.790 52.790 53.525 -0.735 19354 7183 1 11 . 1 1 35 35 ASN CB C 35 36.768 36.768 39.842 -3.074 19354 7184 1 11 . 1 1 35 35 ASN H H 35 7.897 7.897 8.444 -0.547 19354 7185 1 11 . 1 1 36 36 THR N N 36 107.151 107.151 116.208 -9.057 19354 7186 1 11 . 1 1 36 36 THR HA H 36 4.979 4.979 4.479 0.500 19354 7187 1 11 . 1 1 36 36 THR C C 36 173.651 173.651 172.530 1.121 19354 7188 1 11 . 1 1 36 36 THR CA C 36 59.011 59.011 61.664 -2.653 19354 7189 1 11 . 1 1 36 36 THR CB C 36 72.745 72.745 71.255 1.490 19354 7190 1 11 . 1 1 36 36 THR H H 36 7.490 7.490 8.065 -0.575 19354 7191 1 11 . 1 1 37 37 CYS N N 37 118.809 118.809 124.344 -5.535 19354 7192 1 11 . 1 1 37 37 CYS HA H 37 4.095 4.095 4.861 -0.766 19354 7193 1 11 . 1 1 37 37 CYS C C 37 173.688 173.688 173.541 0.147 19354 7194 1 11 . 1 1 37 37 CYS CA C 37 55.634 55.634 58.444 -2.809 19354 7195 1 11 . 1 1 37 37 CYS CB C 37 45.854 45.854 28.739 17.114 19354 7196 1 11 . 1 1 37 37 CYS H H 37 8.632 8.632 8.403 0.229 19354 7197 1 11 . 1 1 38 38 PHE N N 38 128.190 128.190 125.045 3.145 19354 7198 1 11 . 1 1 38 38 PHE HA H 38 4.275 4.275 4.135 0.140 19354 7199 1 11 . 1 1 38 38 PHE C C 38 176.261 176.261 176.575 -0.314 19354 7200 1 11 . 1 1 38 38 PHE CA C 38 59.067 59.067 58.399 0.668 19354 7201 1 11 . 1 1 38 38 PHE CB C 38 36.576 36.576 37.795 -1.219 19354 7202 1 11 . 1 1 38 38 PHE H H 38 9.018 9.018 9.353 -0.335 19354 7203 1 11 . 1 1 39 39 GLY N N 39 104.504 104.504 107.186 -2.682 19354 7204 1 11 . 1 1 39 39 GLY C C 39 174.173 174.173 174.534 -0.361 19354 7205 1 11 . 1 1 39 39 GLY CA C 39 45.112 45.112 45.258 -0.146 19354 7206 1 11 . 1 1 39 39 GLY H H 39 8.566 8.566 8.515 0.051 19354 7207 1 11 . 1 1 40 40 SER N N 40 116.201 116.201 121.298 -5.097 19354 7208 1 11 . 1 1 40 40 SER HA H 40 4.529 4.529 4.335 0.194 19354 7209 1 11 . 1 1 40 40 SER C C 40 173.873 173.873 174.327 -0.454 19354 7210 1 11 . 1 1 40 40 SER CA C 40 57.436 57.436 58.771 -1.335 19354 7211 1 11 . 1 1 40 40 SER CB C 40 63.718 63.718 63.551 0.167 19354 7212 1 11 . 1 1 40 40 SER H H 40 7.533 7.533 8.149 -0.616 19354 7213 1 11 . 1 1 41 41 LYS N N 41 127.456 127.456 127.113 0.343 19354 7214 1 11 . 1 1 41 41 LYS HA H 41 4.056 4.056 4.088 -0.032 19354 7215 1 11 . 1 1 41 41 LYS C C 41 176.632 176.632 176.302 0.330 19354 7216 1 11 . 1 1 41 41 LYS CA C 41 56.409 56.409 56.634 -0.225 19354 7217 1 11 . 1 1 41 41 LYS CB C 41 32.169 32.169 32.877 -0.708 19354 7218 1 11 . 1 1 41 41 LYS H H 41 8.768 8.768 8.450 0.318 19354 7219 1 11 . 1 1 42 42 LEU N N 42 128.016 128.016 124.000 4.016 19354 7220 1 11 . 1 1 42 42 LEU HA H 42 4.120 4.120 4.310 -0.190 19354 7221 1 11 . 1 1 42 42 LEU CA C 42 52.010 52.010 51.259 0.751 19354 7222 1 11 . 1 1 42 42 LEU CB C 42 40.680 40.680 40.088 0.592 19354 7223 1 11 . 1 1 42 42 LEU H H 42 8.304 8.304 8.161 0.143 19354 7224 1 11 . 1 1 43 43 PRO HA H 43 4.453 4.453 4.282 0.171 19354 7225 1 11 . 1 1 43 43 PRO CA C 43 62.807 62.807 64.078 -1.271 19354 7226 1 11 . 1 1 43 43 PRO CB C 43 29.625 29.625 31.564 -1.939 19354 7227 1 11 . 1 1 44 44 TYR N N 44 116.871 116.871 115.233 1.638 19354 7228 1 11 . 1 1 44 44 TYR HA H 44 4.689 4.689 4.931 -0.242 19354 7229 1 11 . 1 1 44 44 TYR C C 44 175.239 175.239 174.861 0.378 19354 7230 1 11 . 1 1 44 44 TYR CA C 44 53.718 53.718 54.483 -0.765 19354 7231 1 11 . 1 1 44 44 TYR CB C 44 38.637 38.637 40.343 -1.706 19354 7232 1 11 . 1 1 44 44 TYR H H 44 6.311 6.311 6.579 -0.268 19354 7233 1 11 . 1 1 45 45 GLU N N 45 118.221 118.221 118.227 -0.006 19354 7234 1 11 . 1 1 45 45 GLU HA H 45 4.138 4.138 4.548 -0.410 19354 7235 1 11 . 1 1 45 45 GLU C C 45 176.282 176.282 174.654 1.628 19354 7236 1 11 . 1 1 45 45 GLU CA C 45 57.502 57.502 56.056 1.446 19354 7237 1 11 . 1 1 45 45 GLU CB C 45 31.105 31.105 30.661 0.444 19354 7238 1 11 . 1 1 45 45 GLU H H 45 8.591 8.591 8.901 -0.310 19354 7239 1 11 . 1 1 46 46 LEU N N 46 119.826 119.826 119.656 0.170 19354 7240 1 11 . 1 1 46 46 LEU HA H 46 4.974 4.974 5.328 -0.354 19354 7241 1 11 . 1 1 46 46 LEU C C 46 175.420 175.420 176.006 -0.586 19354 7242 1 11 . 1 1 46 46 LEU CA C 46 53.202 53.202 53.238 -0.036 19354 7243 1 11 . 1 1 46 46 LEU CB C 46 43.587 43.587 45.576 -1.989 19354 7244 1 11 . 1 1 46 46 LEU H H 46 8.176 8.176 7.624 0.552 19354 7245 1 11 . 1 1 47 47 SER N N 47 111.561 111.561 112.888 -1.327 19354 7246 1 11 . 1 1 47 47 SER HA H 47 5.020 5.020 4.507 0.513 19354 7247 1 11 . 1 1 47 47 SER C C 47 173.833 173.833 172.263 1.570 19354 7248 1 11 . 1 1 47 47 SER CA C 47 53.006 53.006 56.818 -3.812 19354 7249 1 11 . 1 1 47 47 SER CB C 47 64.691 64.691 65.096 -0.405 19354 7250 1 11 . 1 1 47 47 SER H H 47 7.924 7.924 8.357 -0.433 19354 7251 1 11 . 1 1 48 48 SER N N 48 111.459 111.459 120.520 -9.061 19354 7252 1 11 . 1 1 48 48 SER HA H 48 4.841 4.841 4.762 0.079 19354 7253 1 11 . 1 1 48 48 SER C C 48 175.602 175.602 174.882 0.720 19354 7254 1 11 . 1 1 48 48 SER CA C 48 57.388 57.388 56.080 1.308 19354 7255 1 11 . 1 1 48 48 SER CB C 48 66.333 66.333 63.477 2.856 19354 7256 1 11 . 1 1 48 48 SER H H 48 8.628 8.628 8.718 -0.090 19354 7257 1 11 . 1 1 49 49 LEU N N 49 128.995 128.995 130.309 -1.314 19354 7258 1 11 . 1 1 49 49 LEU HA H 49 4.383 4.383 4.462 -0.079 19354 7259 1 11 . 1 1 49 49 LEU C C 49 179.571 179.571 178.378 1.193 19354 7260 1 11 . 1 1 49 49 LEU CA C 49 56.032 56.032 56.856 -0.824 19354 7261 1 11 . 1 1 49 49 LEU CB C 49 41.904 41.904 41.487 0.417 19354 7262 1 11 . 1 1 49 49 LEU H H 49 9.519 9.519 9.321 0.198 19354 7263 1 11 . 1 1 50 50 ASP N N 50 115.013 115.013 119.894 -4.881 19354 7264 1 11 . 1 1 50 50 ASP HA H 50 4.168 4.168 4.387 -0.219 19354 7265 1 11 . 1 1 50 50 ASP C C 50 176.486 176.486 177.497 -1.011 19354 7266 1 11 . 1 1 50 50 ASP CA C 50 58.352 58.352 56.347 2.005 19354 7267 1 11 . 1 1 50 50 ASP CB C 50 41.259 41.259 40.579 0.680 19354 7268 1 11 . 1 1 50 50 ASP H H 50 8.191 8.191 7.831 0.360 19354 7269 1 11 . 1 1 51 51 LEU N N 51 118.298 118.298 118.503 -0.205 19354 7270 1 11 . 1 1 51 51 LEU HA H 51 4.329 4.329 4.284 0.045 19354 7271 1 11 . 1 1 51 51 LEU C C 51 175.556 175.556 176.558 -1.002 19354 7272 1 11 . 1 1 51 51 LEU CA C 51 54.483 54.483 55.354 -0.871 19354 7273 1 11 . 1 1 51 51 LEU CB C 51 39.219 39.219 41.865 -2.646 19354 7274 1 11 . 1 1 51 51 LEU H H 51 8.732 8.732 7.754 0.978 19354 7275 1 11 . 1 1 52 52 THR N N 52 106.427 106.427 109.587 -3.160 19354 7276 1 11 . 1 1 52 52 THR HA H 52 2.784 2.784 4.408 -1.624 19354 7277 1 11 . 1 1 52 52 THR C C 52 172.812 172.812 173.224 -0.412 19354 7278 1 11 . 1 1 52 52 THR CA C 52 58.759 58.759 60.505 -1.746 19354 7279 1 11 . 1 1 52 52 THR CB C 52 71.985 71.985 71.729 0.256 19354 7280 1 11 . 1 1 52 52 THR H H 52 7.574 7.574 7.462 0.112 19354 7281 1 11 . 1 1 53 53 ASP HA H 53 4.398 4.398 4.774 -0.376 19354 7282 1 11 . 1 1 53 53 ASP CA C 53 52.757 52.757 52.807 -0.050 19354 7283 1 11 . 1 1 53 53 ASP CB C 53 40.737 40.737 39.149 1.588 19354 7284 1 11 . 1 1 54 54 PHE N N 54 117.929 117.929 119.825 -1.896 19354 7285 1 11 . 1 1 54 54 PHE HA H 54 4.498 4.498 4.823 -0.325 19354 7286 1 11 . 1 1 54 54 PHE C C 54 176.169 176.169 175.905 0.264 19354 7287 1 11 . 1 1 54 54 PHE CA C 54 57.477 57.477 56.766 0.711 19354 7288 1 11 . 1 1 54 54 PHE CB C 54 39.270 39.270 40.781 -1.511 19354 7289 1 11 . 1 1 54 54 PHE H H 54 7.575 7.575 7.645 -0.070 19354 7290 1 11 . 1 1 55 55 HIS N N 55 115.333 115.333 115.061 0.272 19354 7291 1 11 . 1 1 55 55 HIS HA H 55 4.585 4.585 4.307 0.278 19354 7292 1 11 . 1 1 55 55 HIS C C 55 175.080 175.080 173.667 1.413 19354 7293 1 11 . 1 1 55 55 HIS CA C 55 56.439 56.439 57.349 -0.910 19354 7294 1 11 . 1 1 55 55 HIS CB C 55 31.104 31.104 29.562 1.542 19354 7295 1 11 . 1 1 55 55 HIS H H 55 9.230 9.230 8.765 0.465 19354 7296 1 11 . 1 1 56 56 THR N N 56 106.891 106.891 108.105 -1.214 19354 7297 1 11 . 1 1 56 56 THR HA H 56 4.528 4.528 4.425 0.103 19354 7298 1 11 . 1 1 56 56 THR C C 56 173.696 173.696 173.600 0.096 19354 7299 1 11 . 1 1 56 56 THR CA C 56 58.725 58.725 61.072 -2.347 19354 7300 1 11 . 1 1 56 56 THR CB C 56 72.851 72.851 70.396 2.455 19354 7301 1 11 . 1 1 56 56 THR H H 56 7.343 7.343 7.429 -0.086 19354 7302 1 11 . 1 1 57 57 GLU N N 57 121.798 121.798 123.854 -2.056 19354 7303 1 11 . 1 1 57 57 GLU HA H 57 3.611 3.611 4.052 -0.441 19354 7304 1 11 . 1 1 57 57 GLU C C 57 178.417 178.417 178.118 0.299 19354 7305 1 11 . 1 1 57 57 GLU CA C 57 59.380 59.380 59.162 0.218 19354 7306 1 11 . 1 1 57 57 GLU CB C 57 29.873 29.873 29.703 0.171 19354 7307 1 11 . 1 1 57 57 GLU H H 57 8.841 8.841 8.779 0.062 19354 7308 1 11 . 1 1 58 58 LYS N N 58 121.091 121.091 119.319 1.772 19354 7309 1 11 . 1 1 58 58 LYS HA H 58 3.903 3.903 3.996 -0.093 19354 7310 1 11 . 1 1 58 58 LYS C C 58 177.745 177.745 178.819 -1.074 19354 7311 1 11 . 1 1 58 58 LYS CA C 58 59.470 59.470 59.638 -0.168 19354 7312 1 11 . 1 1 58 58 LYS CB C 58 32.130 32.130 32.091 0.039 19354 7313 1 11 . 1 1 58 58 LYS H H 58 8.307 8.307 8.203 0.104 19354 7314 1 11 . 1 1 59 59 GLU N N 59 117.790 117.790 120.026 -2.236 19354 7315 1 11 . 1 1 59 59 GLU HA H 59 3.852 3.852 4.117 -0.265 19354 7316 1 11 . 1 1 59 59 GLU C C 59 178.051 178.051 178.416 -0.365 19354 7317 1 11 . 1 1 59 59 GLU CA C 59 59.094 59.094 58.863 0.231 19354 7318 1 11 . 1 1 59 59 GLU CB C 59 30.468 30.468 29.479 0.989 19354 7319 1 11 . 1 1 59 59 GLU H H 59 7.537 7.537 7.672 -0.135 19354 7320 1 11 . 1 1 60 60 LEU N N 60 118.763 118.763 121.269 -2.506 19354 7321 1 11 . 1 1 60 60 LEU HA H 60 3.211 3.211 1.745 1.466 19354 7322 1 11 . 1 1 60 60 LEU C C 60 178.070 178.070 178.237 -0.167 19354 7323 1 11 . 1 1 60 60 LEU CA C 60 59.007 59.007 57.421 1.586 19354 7324 1 11 . 1 1 60 60 LEU CB C 60 42.750 42.750 41.833 0.917 19354 7325 1 11 . 1 1 60 60 LEU H H 60 7.321 7.321 7.477 -0.156 19354 7326 1 11 . 1 1 61 61 ASN N N 61 116.987 116.987 115.720 1.267 19354 7327 1 11 . 1 1 61 61 ASN HA H 61 4.127 4.127 4.325 -0.198 19354 7328 1 11 . 1 1 61 61 ASN C C 61 177.689 177.689 177.142 0.547 19354 7329 1 11 . 1 1 61 61 ASN CA C 61 57.310 57.310 56.089 1.221 19354 7330 1 11 . 1 1 61 61 ASN CB C 61 39.288 39.288 38.530 0.758 19354 7331 1 11 . 1 1 61 61 ASN H H 61 8.335 8.335 7.904 0.431 19354 7332 1 11 . 1 1 62 62 ASP N N 62 120.935 120.935 120.151 0.784 19354 7333 1 11 . 1 1 62 62 ASP HA H 62 4.306 4.306 4.375 -0.069 19354 7334 1 11 . 1 1 62 62 ASP C C 62 178.868 178.868 177.783 1.085 19354 7335 1 11 . 1 1 62 62 ASP CA C 62 57.510 57.510 56.735 0.775 19354 7336 1 11 . 1 1 62 62 ASP CB C 62 39.596 39.596 41.081 -1.485 19354 7337 1 11 . 1 1 62 62 ASP H H 62 8.376 8.376 7.728 0.648 19354 7338 1 11 . 1 1 63 63 LYS N N 63 119.626 119.626 119.851 -0.225 19354 7339 1 11 . 1 1 63 63 LYS HA H 63 4.168 4.168 4.227 -0.059 19354 7340 1 11 . 1 1 63 63 LYS C C 63 179.458 179.458 178.695 0.763 19354 7341 1 11 . 1 1 63 63 LYS CA C 63 55.698 55.698 58.587 -2.889 19354 7342 1 11 . 1 1 63 63 LYS CB C 63 31.082 31.082 32.446 -1.364 19354 7343 1 11 . 1 1 63 63 LYS H H 63 7.748 7.748 7.711 0.037 19354 7344 1 11 . 1 1 64 64 LEU N N 64 120.255 120.255 120.360 -0.105 19354 7345 1 11 . 1 1 64 64 LEU HA H 64 3.688 3.688 4.207 -0.519 19354 7346 1 11 . 1 1 64 64 LEU C C 64 178.732 178.732 178.711 0.021 19354 7347 1 11 . 1 1 64 64 LEU CA C 64 57.722 57.722 58.468 -0.746 19354 7348 1 11 . 1 1 64 64 LEU CB C 64 41.236 41.236 41.705 -0.469 19354 7349 1 11 . 1 1 64 64 LEU H H 64 8.221 8.221 7.617 0.604 19354 7350 1 11 . 1 1 65 65 ASN N N 65 113.630 113.630 116.583 -2.953 19354 7351 1 11 . 1 1 65 65 ASN HA H 65 4.580 4.580 4.173 0.407 19354 7352 1 11 . 1 1 65 65 ASN C C 65 178.394 178.394 177.767 0.627 19354 7353 1 11 . 1 1 65 65 ASN CA C 65 55.628 55.628 56.564 -0.936 19354 7354 1 11 . 1 1 65 65 ASN CB C 65 38.269 38.269 38.037 0.232 19354 7355 1 11 . 1 1 65 65 ASN H H 65 7.482 7.482 7.836 -0.354 19354 7356 1 11 . 1 1 66 66 ASP N N 66 120.683 120.683 120.037 0.646 19354 7357 1 11 . 1 1 66 66 ASP HA H 66 4.482 4.482 4.427 0.055 19354 7358 1 11 . 1 1 66 66 ASP C C 66 179.095 179.095 178.966 0.129 19354 7359 1 11 . 1 1 66 66 ASP CA C 66 56.623 56.623 57.927 -1.304 19354 7360 1 11 . 1 1 66 66 ASP CB C 66 39.883 39.883 41.135 -1.252 19354 7361 1 11 . 1 1 66 66 ASP H H 66 7.834 7.834 8.052 -0.218 19354 7362 1 11 . 1 1 67 67 TYR N N 67 116.512 116.512 120.686 -4.174 19354 7363 1 11 . 1 1 67 67 TYR HA H 67 3.984 3.984 4.343 -0.359 19354 7364 1 11 . 1 1 67 67 TYR C C 67 176.554 176.554 177.773 -1.219 19354 7365 1 11 . 1 1 67 67 TYR CA C 67 62.142 62.142 60.806 1.337 19354 7366 1 11 . 1 1 67 67 TYR CB C 67 37.436 37.436 38.297 -0.861 19354 7367 1 11 . 1 1 67 67 TYR H H 67 8.132 8.132 7.831 0.301 19354 7368 1 11 . 1 1 68 68 TYR N N 68 118.786 118.786 120.213 -1.427 19354 7369 1 11 . 1 1 68 68 TYR HA H 68 3.632 3.632 3.177 0.455 19354 7370 1 11 . 1 1 68 68 TYR C C 68 177.915 177.915 177.631 0.284 19354 7371 1 11 . 1 1 68 68 TYR CA C 68 61.395 61.395 61.514 -0.119 19354 7372 1 11 . 1 1 68 68 TYR CB C 68 37.345 37.345 37.224 0.121 19354 7373 1 11 . 1 1 68 68 TYR H H 68 7.558 7.558 8.258 -0.700 19354 7374 1 11 . 1 1 69 69 ALA N N 69 120.715 120.715 122.286 -1.571 19354 7375 1 11 . 1 1 69 69 ALA HA H 69 3.935 3.935 3.949 -0.014 19354 7376 1 11 . 1 1 69 69 ALA C C 69 179.390 179.390 179.284 0.106 19354 7377 1 11 . 1 1 69 69 ALA CA C 69 54.015 54.015 54.663 -0.648 19354 7378 1 11 . 1 1 69 69 ALA CB C 69 18.529 18.529 17.780 0.749 19354 7379 1 11 . 1 1 69 69 ALA H H 69 7.453 7.453 7.610 -0.157 19354 7380 1 11 . 1 1 70 70 LEU N N 70 117.212 117.212 119.180 -1.968 19354 7381 1 11 . 1 1 70 70 LEU HA H 70 3.765 3.765 3.896 -0.131 19354 7382 1 11 . 1 1 70 70 LEU C C 70 177.280 177.280 177.960 -0.680 19354 7383 1 11 . 1 1 70 70 LEU CA C 70 56.634 56.634 56.843 -0.208 19354 7384 1 11 . 1 1 70 70 LEU CB C 70 41.045 41.045 41.760 -0.715 19354 7385 1 11 . 1 1 70 70 LEU H H 70 7.764 7.764 8.066 -0.302 19354 7386 1 11 . 1 1 71 71 LYS N N 71 118.756 118.756 118.773 -0.017 19354 7387 1 11 . 1 1 71 71 LYS HA H 71 3.039 3.039 3.439 -0.400 19354 7388 1 11 . 1 1 71 71 LYS C C 71 177.121 177.121 177.796 -0.675 19354 7389 1 11 . 1 1 71 71 LYS CA C 71 58.865 58.865 58.676 0.189 19354 7390 1 11 . 1 1 71 71 LYS CB C 71 31.247 31.247 30.900 0.347 19354 7391 1 11 . 1 1 71 71 LYS H H 71 7.001 7.001 7.904 -0.903 19354 7392 1 11 . 1 1 72 72 HIS N N 72 113.331 113.331 118.206 -4.875 19354 7393 1 11 . 1 1 72 72 HIS HA H 72 4.304 4.304 4.254 0.050 19354 7394 1 11 . 1 1 72 72 HIS C C 72 174.232 174.232 176.172 -1.940 19354 7395 1 11 . 1 1 72 72 HIS CA C 72 57.245 57.245 58.854 -1.609 19354 7396 1 11 . 1 1 72 72 HIS CB C 72 30.221 30.221 30.132 0.089 19354 7397 1 11 . 1 1 72 72 HIS H H 72 6.973 6.973 7.519 -0.546 19354 7398 1 11 . 1 1 73 73 VAL N N 73 121.486 121.486 120.097 1.389 19354 7399 1 11 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.469 0.062 19354 7400 1 11 . 1 1 73 73 VAL CA C 73 59.159 59.159 59.629 -0.470 19354 7401 1 11 . 1 1 73 73 VAL CB C 73 30.604 30.604 32.676 -2.072 19354 7402 1 11 . 1 1 73 73 VAL H H 73 7.821 7.821 7.932 -0.111 19354 7403 1 11 . 1 1 74 74 PRO HA H 74 4.070 4.070 4.534 -0.464 19354 7404 1 11 . 1 1 74 74 PRO CA C 74 66.637 66.637 65.519 1.118 19354 7405 1 11 . 1 1 74 74 PRO CB C 74 32.212 32.212 32.242 -0.030 19354 7406 1 11 . 1 1 75 75 LYS N N 75 116.832 116.832 119.805 -2.973 19354 7407 1 11 . 1 1 75 75 LYS HA H 75 4.099 4.099 4.129 -0.030 19354 7408 1 11 . 1 1 75 75 LYS C C 75 180.048 180.048 177.801 2.247 19354 7409 1 11 . 1 1 75 75 LYS CA C 75 59.398 59.398 58.639 0.759 19354 7410 1 11 . 1 1 75 75 LYS CB C 75 31.296 31.296 30.686 0.610 19354 7411 1 11 . 1 1 75 75 LYS H H 75 9.234 9.234 8.731 0.503 19354 7412 1 11 . 1 1 76 76 CYS N N 76 116.333 116.333 116.192 0.141 19354 7413 1 11 . 1 1 76 76 CYS HA H 76 4.320 4.320 4.722 -0.402 19354 7414 1 11 . 1 1 76 76 CYS C C 76 175.012 175.012 176.698 -1.686 19354 7415 1 11 . 1 1 76 76 CYS CA C 76 58.297 58.297 60.132 -1.835 19354 7416 1 11 . 1 1 76 76 CYS CB C 76 38.803 38.803 26.714 12.089 19354 7417 1 11 . 1 1 76 76 CYS H H 76 7.496 7.496 8.082 -0.586 19354 7418 1 11 . 1 1 77 77 TRP N N 77 119.987 119.987 123.788 -3.801 19354 7419 1 11 . 1 1 77 77 TRP HA H 77 4.452 4.452 4.209 0.243 19354 7420 1 11 . 1 1 77 77 TRP C C 77 177.462 177.462 177.766 -0.304 19354 7421 1 11 . 1 1 77 77 TRP CA C 77 58.821 58.821 59.884 -1.063 19354 7422 1 11 . 1 1 77 77 TRP CB C 77 30.425 30.425 29.291 1.134 19354 7423 1 11 . 1 1 77 77 TRP H H 77 8.254 8.254 8.309 -0.055 19354 7424 1 11 . 1 1 78 78 ALA N N 78 116.093 116.093 119.590 -3.497 19354 7425 1 11 . 1 1 78 78 ALA HA H 78 3.736 3.736 3.661 0.075 19354 7426 1 11 . 1 1 78 78 ALA C C 78 178.845 178.845 179.292 -0.447 19354 7427 1 11 . 1 1 78 78 ALA CA C 78 54.188 54.188 53.981 0.207 19354 7428 1 11 . 1 1 78 78 ALA CB C 78 18.323 18.323 17.617 0.706 19354 7429 1 11 . 1 1 78 78 ALA H H 78 7.968 7.968 8.045 -0.077 19354 7430 1 11 . 1 1 79 79 ALA N N 79 116.351 116.351 120.995 -4.644 19354 7431 1 11 . 1 1 79 79 ALA HA H 79 4.147 4.147 4.170 -0.023 19354 7432 1 11 . 1 1 79 79 ALA C C 79 178.414 178.414 177.992 0.422 19354 7433 1 11 . 1 1 79 79 ALA CA C 79 53.243 53.243 54.291 -1.048 19354 7434 1 11 . 1 1 79 79 ALA CB C 79 19.832 19.832 18.906 0.926 19354 7435 1 11 . 1 1 79 79 ALA H H 79 6.929 6.929 7.183 -0.254 19354 7436 1 11 . 1 1 80 80 ILE N N 80 115.150 115.150 116.806 -1.656 19354 7437 1 11 . 1 1 80 80 ILE HA H 80 4.218 4.218 4.337 -0.119 19354 7438 1 11 . 1 1 80 80 ILE C C 80 176.350 176.350 176.137 0.213 19354 7439 1 11 . 1 1 80 80 ILE CA C 80 62.069 62.069 59.669 2.400 19354 7440 1 11 . 1 1 80 80 ILE CB C 80 39.375 39.375 38.287 1.088 19354 7441 1 11 . 1 1 80 80 ILE H H 80 8.695 8.695 7.581 1.114 19354 7442 1 11 . 1 1 81 81 GLN N N 81 122.564 122.564 121.820 0.744 19354 7443 1 11 . 1 1 81 81 GLN HA H 81 3.332 3.332 3.932 -0.600 19354 7444 1 11 . 1 1 81 81 GLN C C 81 173.470 173.470 175.166 -1.696 19354 7445 1 11 . 1 1 81 81 GLN CA C 81 61.829 61.829 61.407 0.422 19354 7446 1 11 . 1 1 81 81 GLN CB C 81 25.973 25.973 27.015 -1.042 19354 7447 1 11 . 1 1 81 81 GLN H H 81 7.315 7.315 7.359 -0.044 19354 7448 1 11 . 1 1 82 82 PRO HA H 82 4.076 4.076 4.228 -0.152 19354 7449 1 11 . 1 1 82 82 PRO CA C 82 65.894 65.894 64.830 1.064 19354 7450 1 11 . 1 1 82 82 PRO CB C 82 30.481 30.481 31.494 -1.013 19354 7451 1 11 . 1 1 83 83 PHE N N 83 119.137 119.137 119.196 -0.059 19354 7452 1 11 . 1 1 83 83 PHE HA H 83 4.289 4.289 4.401 -0.112 19354 7453 1 11 . 1 1 83 83 PHE C C 83 175.919 175.919 176.411 -0.492 19354 7454 1 11 . 1 1 83 83 PHE CA C 83 59.712 59.712 56.959 2.753 19354 7455 1 11 . 1 1 83 83 PHE CB C 83 39.329 39.329 38.819 0.510 19354 7456 1 11 . 1 1 83 83 PHE H H 83 6.892 6.892 7.875 -0.983 19354 7457 1 11 . 1 1 84 84 LEU N N 84 116.693 116.693 119.753 -3.060 19354 7458 1 11 . 1 1 84 84 LEU HA H 84 3.611 3.611 3.649 -0.038 19354 7459 1 11 . 1 1 84 84 LEU C C 84 180.297 180.297 177.996 2.301 19354 7460 1 11 . 1 1 84 84 LEU CA C 84 57.952 57.952 57.930 0.022 19354 7461 1 11 . 1 1 84 84 LEU CB C 84 41.645 41.645 40.516 1.129 19354 7462 1 11 . 1 1 84 84 LEU H H 84 8.589 8.589 7.929 0.660 19354 7463 1 11 . 1 1 85 85 CYS N N 85 115.085 115.085 115.938 -0.853 19354 7464 1 11 . 1 1 85 85 CYS HA H 85 4.127 4.127 4.240 -0.113 19354 7465 1 11 . 1 1 85 85 CYS C C 85 175.556 175.556 176.428 -0.872 19354 7466 1 11 . 1 1 85 85 CYS CA C 85 57.678 57.678 61.858 -4.180 19354 7467 1 11 . 1 1 85 85 CYS CB C 85 39.396 39.396 26.700 12.696 19354 7468 1 11 . 1 1 85 85 CYS H H 85 8.001 8.001 7.312 0.689 19354 7469 1 11 . 1 1 86 86 ALA N N 86 121.743 121.743 120.646 1.097 19354 7470 1 11 . 1 1 86 86 ALA HA H 86 3.922 3.922 4.254 -0.332 19354 7471 1 11 . 1 1 86 86 ALA C C 86 177.745 177.745 177.062 0.683 19354 7472 1 11 . 1 1 86 86 ALA CA C 86 54.306 54.306 53.536 0.770 19354 7473 1 11 . 1 1 86 86 ALA CB C 86 18.778 18.778 18.174 0.605 19354 7474 1 11 . 1 1 86 86 ALA H H 86 7.671 7.671 8.158 -0.487 19354 7475 1 11 . 1 1 87 87 VAL N N 87 115.667 115.667 117.301 -1.634 19354 7476 1 11 . 1 1 87 87 VAL HA H 87 3.735 3.735 3.334 0.401 19354 7477 1 11 . 1 1 87 87 VAL C C 87 175.806 175.806 176.120 -0.314 19354 7478 1 11 . 1 1 87 87 VAL CA C 87 64.622 64.622 64.571 0.051 19354 7479 1 11 . 1 1 87 87 VAL CB C 87 32.936 32.936 31.639 1.297 19354 7480 1 11 . 1 1 87 87 VAL H H 87 7.460 7.460 7.122 0.338 19354 7481 1 11 . 1 1 88 88 PHE N N 88 115.306 115.306 113.880 1.426 19354 7482 1 11 . 1 1 88 88 PHE HA H 88 4.048 4.048 4.588 -0.540 19354 7483 1 11 . 1 1 88 88 PHE C C 88 176.192 176.192 175.057 1.135 19354 7484 1 11 . 1 1 88 88 PHE CA C 88 60.420 60.420 58.806 1.614 19354 7485 1 11 . 1 1 88 88 PHE CB C 88 40.182 40.182 39.928 0.254 19354 7486 1 11 . 1 1 88 88 PHE H H 88 8.930 8.930 7.478 1.452 19354 7487 1 11 . 1 1 89 89 LYS N N 89 115.470 115.470 119.378 -3.908 19354 7488 1 11 . 1 1 89 89 LYS HA H 89 4.816 4.816 4.952 -0.136 19354 7489 1 11 . 1 1 89 89 LYS C C 89 184.176 184.176 173.928 10.248 19354 7490 1 11 . 1 1 89 89 LYS CA C 89 53.428 53.428 52.865 0.563 19354 7491 1 11 . 1 1 89 89 LYS CB C 89 33.274 33.274 31.987 1.287 19354 7492 1 11 . 1 1 89 89 LYS H H 89 7.802 7.802 7.831 -0.029 19354 7493 1 11 . 1 1 90 90 PRO HA H 90 4.250 4.250 4.393 -0.143 19354 7494 1 11 . 1 1 90 90 PRO CA C 90 62.682 62.682 62.489 0.193 19354 7495 1 11 . 1 1 90 90 PRO CB C 90 32.358 32.358 32.346 0.012 19354 7496 1 11 . 1 1 91 91 LYS N N 91 122.391 122.391 123.066 -0.675 19354 7497 1 11 . 1 1 91 91 LYS HA H 91 3.039 3.039 2.951 0.088 19354 7498 1 11 . 1 1 91 91 LYS C C 91 173.356 173.356 175.223 -1.867 19354 7499 1 11 . 1 1 91 91 LYS CA C 91 58.027 58.027 55.941 2.086 19354 7500 1 11 . 1 1 91 91 LYS CB C 91 31.285 31.285 32.060 -0.775 19354 7501 1 11 . 1 1 91 91 LYS H H 91 8.537 8.537 8.359 0.178 19354 7502 1 11 . 1 1 92 92 CYS N N 92 127.562 127.562 127.479 0.083 19354 7503 1 11 . 1 1 92 92 CYS HA H 92 5.391 5.391 4.979 0.412 19354 7504 1 11 . 1 1 92 92 CYS C C 92 171.655 171.655 173.576 -1.921 19354 7505 1 11 . 1 1 92 92 CYS CA C 92 53.804 53.804 57.137 -3.333 19354 7506 1 11 . 1 1 92 92 CYS CB C 92 41.219 41.219 26.986 14.233 19354 7507 1 11 . 1 1 92 92 CYS H H 92 7.037 7.037 8.115 -1.078 19354 7508 1 11 . 1 1 93 93 GLU N N 93 124.483 124.483 127.370 -2.887 19354 7509 1 11 . 1 1 93 93 GLU HA H 93 4.492 4.492 4.698 -0.206 19354 7510 1 11 . 1 1 93 93 GLU C C 93 173.371 173.371 174.849 -1.478 19354 7511 1 11 . 1 1 93 93 GLU CA C 93 54.874 54.874 54.387 0.487 19354 7512 1 11 . 1 1 93 93 GLU CB C 93 34.630 34.630 32.525 2.105 19354 7513 1 11 . 1 1 93 93 GLU H H 93 9.401 9.401 7.954 1.447 19354 7514 1 11 . 1 1 94 94 LYS N N 94 122.694 122.694 120.626 2.068 19354 7515 1 11 . 1 1 94 94 LYS HA H 94 4.581 4.581 4.742 -0.161 19354 7516 1 11 . 1 1 94 94 LYS C C 94 176.509 176.509 176.332 0.177 19354 7517 1 11 . 1 1 94 94 LYS CA C 94 55.856 55.856 55.463 0.393 19354 7518 1 11 . 1 1 94 94 LYS CB C 94 31.809 31.809 33.178 -1.369 19354 7519 1 11 . 1 1 94 94 LYS H H 94 8.526 8.526 8.530 -0.004 19354 7520 1 11 . 1 1 95 95 ILE N N 95 128.382 128.382 126.786 1.596 19354 7521 1 11 . 1 1 95 95 ILE HA H 95 4.049 4.049 4.196 -0.147 19354 7522 1 11 . 1 1 95 95 ILE C C 95 176.337 176.337 175.990 0.347 19354 7523 1 11 . 1 1 95 95 ILE CA C 95 60.847 60.847 60.256 0.591 19354 7524 1 11 . 1 1 95 95 ILE CB C 95 39.625 39.625 37.967 1.658 19354 7525 1 11 . 1 1 95 95 ILE H H 95 9.001 9.001 8.450 0.551 19354 7526 1 11 . 1 1 96 96 ASN N N 96 127.596 127.596 127.514 0.082 19354 7527 1 11 . 1 1 96 96 ASN HA H 96 4.212 4.212 4.436 -0.224 19354 7528 1 11 . 1 1 96 96 ASN C C 96 175.496 175.496 175.109 0.387 19354 7529 1 11 . 1 1 96 96 ASN CA C 96 53.970 53.970 53.554 0.416 19354 7530 1 11 . 1 1 96 96 ASN CB C 96 37.238 37.238 38.075 -0.837 19354 7531 1 11 . 1 1 96 96 ASN H H 96 9.474 9.474 9.326 0.148 19354 7532 1 11 . 1 1 97 97 GLY N N 97 101.656 101.656 102.690 -1.034 19354 7533 1 11 . 1 1 97 97 GLY C C 97 173.651 173.651 173.588 0.063 19354 7534 1 11 . 1 1 97 97 GLY CA C 97 45.167 45.167 44.834 0.333 19354 7535 1 11 . 1 1 97 97 GLY H H 97 8.476 8.476 8.270 0.206 19354 7536 1 11 . 1 1 98 98 GLU N N 98 120.042 120.042 120.519 -0.477 19354 7537 1 11 . 1 1 98 98 GLU HA H 98 4.587 4.587 4.497 0.090 19354 7538 1 11 . 1 1 98 98 GLU C C 98 174.422 174.422 175.210 -0.788 19354 7539 1 11 . 1 1 98 98 GLU CA C 98 54.294 54.294 54.295 -0.001 19354 7540 1 11 . 1 1 98 98 GLU CB C 98 32.934 32.934 31.410 1.524 19354 7541 1 11 . 1 1 98 98 GLU H H 98 7.591 7.591 7.560 0.031 19354 7542 1 11 . 1 1 99 99 ASP N N 99 126.603 126.603 127.841 -1.238 19354 7543 1 11 . 1 1 99 99 ASP HA H 99 4.340 4.340 4.528 -0.188 19354 7544 1 11 . 1 1 99 99 ASP C C 99 176.214 176.214 175.594 0.620 19354 7545 1 11 . 1 1 99 99 ASP CA C 99 55.408 55.408 55.812 -0.404 19354 7546 1 11 . 1 1 99 99 ASP CB C 99 41.629 41.629 40.489 1.140 19354 7547 1 11 . 1 1 99 99 ASP H H 99 8.489 8.489 8.793 -0.304 19354 7548 1 11 . 1 1 100 100 MET N N 100 121.977 121.977 121.794 0.183 19354 7549 1 11 . 1 1 100 100 MET HA H 100 4.911 4.911 5.463 -0.552 19354 7550 1 11 . 1 1 100 100 MET C C 100 172.900 172.900 174.742 -1.842 19354 7551 1 11 . 1 1 100 100 MET CA C 100 53.649 53.649 53.526 0.123 19354 7552 1 11 . 1 1 100 100 MET CB C 100 35.529 35.529 36.896 -1.367 19354 7553 1 11 . 1 1 100 100 MET H H 100 8.853 8.853 9.015 -0.162 19354 7554 1 11 . 1 1 101 101 VAL N N 101 119.963 119.963 113.118 6.845 19354 7555 1 11 . 1 1 101 101 VAL HA H 101 4.814 4.814 4.609 0.205 19354 7556 1 11 . 1 1 101 101 VAL C C 101 172.991 172.991 173.525 -0.534 19354 7557 1 11 . 1 1 101 101 VAL CA C 101 58.203 58.203 59.316 -1.113 19354 7558 1 11 . 1 1 101 101 VAL CB C 101 34.629 34.629 34.660 -0.031 19354 7559 1 11 . 1 1 101 101 VAL H H 101 8.964 8.964 8.133 0.831 19354 7560 1 11 . 1 1 102 102 TYR N N 102 125.849 125.849 121.679 4.170 19354 7561 1 11 . 1 1 102 102 TYR HA H 102 4.444 4.444 4.774 -0.330 19354 7562 1 11 . 1 1 102 102 TYR C C 102 176.464 176.464 175.951 0.513 19354 7563 1 11 . 1 1 102 102 TYR CA C 102 57.549 57.549 57.548 0.001 19354 7564 1 11 . 1 1 102 102 TYR CB C 102 38.274 38.274 39.780 -1.506 19354 7565 1 11 . 1 1 102 102 TYR H H 102 8.137 8.137 8.026 0.111 19354 7566 1 11 . 1 1 103 103 LEU N N 103 123.151 123.151 122.115 1.036 19354 7567 1 11 . 1 1 103 103 LEU HA H 103 4.683 4.683 5.008 -0.325 19354 7568 1 11 . 1 1 103 103 LEU CA C 103 52.426 52.426 51.436 0.990 19354 7569 1 11 . 1 1 103 103 LEU CB C 103 42.038 42.038 41.771 0.267 19354 7570 1 11 . 1 1 103 103 LEU H H 103 8.308 8.308 8.147 0.161 19354 7571 1 11 . 1 1 104 104 PRO HA H 104 4.678 4.678 4.625 0.053 19354 7572 1 11 . 1 1 104 104 PRO CA C 104 61.704 61.704 62.644 -0.940 19354 7573 1 11 . 1 1 104 104 PRO CB C 104 32.020 32.020 32.698 -0.678 19354 7574 1 11 . 1 1 105 105 SER N N 105 113.955 113.955 114.683 -0.728 19354 7575 1 11 . 1 1 105 105 SER HA H 105 4.632 4.632 4.697 -0.065 19354 7576 1 11 . 1 1 105 105 SER C C 105 175.473 175.473 176.372 -0.899 19354 7577 1 11 . 1 1 105 105 SER CA C 105 56.324 56.324 57.198 -0.874 19354 7578 1 11 . 1 1 105 105 SER CB C 105 65.193 65.193 65.286 -0.093 19354 7579 1 11 . 1 1 105 105 SER H H 105 7.668 7.668 8.109 -0.441 19354 7580 1 11 . 1 1 106 106 TYR N N 106 122.582 122.582 120.194 2.388 19354 7581 1 11 . 1 1 106 106 TYR HA H 106 3.724 3.724 4.098 -0.374 19354 7582 1 11 . 1 1 106 106 TYR C C 106 178.116 178.116 177.344 0.772 19354 7583 1 11 . 1 1 106 106 TYR CA C 106 62.057 62.057 60.454 1.603 19354 7584 1 11 . 1 1 106 106 TYR CB C 106 37.925 37.925 37.955 -0.030 19354 7585 1 11 . 1 1 106 106 TYR H H 106 8.492 8.492 9.060 -0.568 19354 7586 1 11 . 1 1 107 107 GLU N N 107 118.362 118.362 120.142 -1.780 19354 7587 1 11 . 1 1 107 107 GLU HA H 107 3.846 3.846 3.597 0.249 19354 7588 1 11 . 1 1 107 107 GLU C C 107 177.421 177.421 178.328 -0.907 19354 7589 1 11 . 1 1 107 107 GLU CA C 107 58.867 58.867 59.118 -0.251 19354 7590 1 11 . 1 1 107 107 GLU CB C 107 28.969 28.969 28.789 0.180 19354 7591 1 11 . 1 1 107 107 GLU H H 107 8.503 8.503 7.629 0.874 19354 7592 1 11 . 1 1 108 108 MET N N 108 116.221 116.221 117.799 -1.578 19354 7593 1 11 . 1 1 108 108 MET HA H 108 3.708 3.708 3.907 -0.199 19354 7594 1 11 . 1 1 108 108 MET C C 108 176.804 176.804 178.074 -1.270 19354 7595 1 11 . 1 1 108 108 MET CA C 108 58.648 58.648 58.423 0.225 19354 7596 1 11 . 1 1 108 108 MET CB C 108 33.058 33.058 31.536 1.522 19354 7597 1 11 . 1 1 108 108 MET H H 108 7.409 7.409 7.804 -0.395 19354 7598 1 11 . 1 1 109 109 CYS N N 109 114.131 114.131 116.713 -2.582 19354 7599 1 11 . 1 1 109 109 CYS HA H 109 3.857 3.857 3.862 -0.005 19354 7600 1 11 . 1 1 109 109 CYS C C 109 178.047 178.047 176.939 1.108 19354 7601 1 11 . 1 1 109 109 CYS CA C 109 58.737 58.737 60.812 -2.075 19354 7602 1 11 . 1 1 109 109 CYS CB C 109 35.006 35.006 25.827 9.179 19354 7603 1 11 . 1 1 109 109 CYS H H 109 6.817 6.817 7.727 -0.910 19354 7604 1 11 . 1 1 110 110 ARG N N 110 124.629 124.629 121.360 3.269 19354 7605 1 11 . 1 1 110 110 ARG HA H 110 3.376 3.376 4.064 -0.688 19354 7606 1 11 . 1 1 110 110 ARG C C 110 179.435 179.435 178.121 1.314 19354 7607 1 11 . 1 1 110 110 ARG CA C 110 59.641 59.641 59.247 0.394 19354 7608 1 11 . 1 1 110 110 ARG CB C 110 29.273 29.273 29.697 -0.424 19354 7609 1 11 . 1 1 110 110 ARG H H 110 8.885 8.885 7.868 1.017 19354 7610 1 11 . 1 1 111 111 ILE N N 111 113.379 113.379 117.396 -4.017 19354 7611 1 11 . 1 1 111 111 ILE HA H 111 3.796 3.796 3.732 0.064 19354 7612 1 11 . 1 1 111 111 ILE C C 111 175.624 175.624 177.430 -1.806 19354 7613 1 11 . 1 1 111 111 ILE CA C 111 63.811 63.811 63.873 -0.062 19354 7614 1 11 . 1 1 111 111 ILE CB C 111 38.229 38.229 36.492 1.737 19354 7615 1 11 . 1 1 111 111 ILE H H 111 7.422 7.422 8.033 -0.611 19354 7616 1 11 . 1 1 112 112 THR N N 112 109.403 109.403 110.048 -0.645 19354 7617 1 11 . 1 1 112 112 THR HA H 112 3.889 3.889 4.274 -0.385 19354 7618 1 11 . 1 1 112 112 THR C C 112 175.798 175.798 176.255 -0.457 19354 7619 1 11 . 1 1 112 112 THR CA C 112 62.856 62.856 65.472 -2.616 19354 7620 1 11 . 1 1 112 112 THR CB C 112 70.168 70.168 69.925 0.243 19354 7621 1 11 . 1 1 112 112 THR H H 112 7.574 7.574 7.301 0.274 19354 7622 1 11 . 1 1 113 113 MET N N 113 119.638 119.638 121.216 -1.578 19354 7623 1 11 . 1 1 113 113 MET HA H 113 3.541 3.541 4.459 -0.918 19354 7624 1 11 . 1 1 113 113 MET C C 113 177.174 177.174 177.691 -0.517 19354 7625 1 11 . 1 1 113 113 MET CA C 113 60.235 60.235 58.660 1.575 19354 7626 1 11 . 1 1 113 113 MET CB C 113 32.338 32.338 32.335 0.003 19354 7627 1 11 . 1 1 113 113 MET H H 113 7.152 7.152 7.419 -0.267 19354 7628 1 11 . 1 1 114 114 GLU N N 114 117.224 117.224 120.487 -3.263 19354 7629 1 11 . 1 1 114 114 GLU HA H 114 4.114 4.114 4.184 -0.070 19354 7630 1 11 . 1 1 114 114 GLU CA C 114 60.422 60.422 60.828 -0.406 19354 7631 1 11 . 1 1 114 114 GLU CB C 114 26.103 26.103 27.820 -1.717 19354 7632 1 11 . 1 1 114 114 GLU H H 114 8.580 8.580 8.661 -0.081 19354 7633 1 11 . 1 1 115 115 PRO HA H 115 4.304 4.304 4.409 -0.105 19354 7634 1 11 . 1 1 115 115 PRO CA C 115 65.128 65.128 64.129 0.999 19354 7635 1 11 . 1 1 115 115 PRO CB C 115 31.141 31.141 31.968 -0.827 19354 7636 1 11 . 1 1 116 116 CYS N N 116 111.879 111.879 121.649 -9.770 19354 7637 1 11 . 1 1 116 116 CYS HA H 116 4.679 4.679 4.878 -0.199 19354 7638 1 11 . 1 1 116 116 CYS C C 116 174.808 174.808 175.953 -1.145 19354 7639 1 11 . 1 1 116 116 CYS CA C 116 54.060 54.060 58.124 -4.064 19354 7640 1 11 . 1 1 116 116 CYS CB C 116 42.879 42.879 24.881 17.998 19354 7641 1 11 . 1 1 116 116 CYS H H 116 7.208 7.208 8.350 -1.142 19354 7642 1 11 . 1 1 117 117 ARG N N 117 123.750 123.750 123.840 -0.090 19354 7643 1 11 . 1 1 117 117 ARG HA H 117 3.161 3.161 4.233 -1.072 19354 7644 1 11 . 1 1 117 117 ARG C C 117 178.210 178.210 177.313 0.897 19354 7645 1 11 . 1 1 117 117 ARG CA C 117 59.743 59.743 59.840 -0.097 19354 7646 1 11 . 1 1 117 117 ARG CB C 117 29.486 29.486 30.451 -0.965 19354 7647 1 11 . 1 1 117 117 ARG H H 117 7.436 7.436 7.794 -0.358 19354 7648 1 11 . 1 1 118 118 ILE N N 118 116.384 116.384 117.865 -1.481 19354 7649 1 11 . 1 1 118 118 ILE HA H 118 4.000 4.000 3.742 0.258 19354 7650 1 11 . 1 1 118 118 ILE C C 118 176.577 176.577 176.533 0.044 19354 7651 1 11 . 1 1 118 118 ILE CA C 118 63.166 63.166 62.772 0.394 19354 7652 1 11 . 1 1 118 118 ILE CB C 118 37.781 37.781 36.670 1.111 19354 7653 1 11 . 1 1 118 118 ILE H H 118 8.130 8.130 8.100 0.030 19354 7654 1 11 . 1 1 119 119 LEU N N 119 119.738 119.738 118.861 0.877 19354 7655 1 11 . 1 1 119 119 LEU HA H 119 4.540 4.540 4.286 0.254 19354 7656 1 11 . 1 1 119 119 LEU C C 119 178.346 178.346 177.268 1.078 19354 7657 1 11 . 1 1 119 119 LEU CA C 119 54.697 54.697 52.598 2.099 19354 7658 1 11 . 1 1 119 119 LEU CB C 119 42.872 42.872 39.281 3.591 19354 7659 1 11 . 1 1 119 119 LEU H H 119 7.771 7.771 8.034 -0.263 19354 7660 1 11 . 1 1 120 120 TYR N N 120 121.945 121.945 118.171 3.774 19354 7661 1 11 . 1 1 120 120 TYR HA H 120 4.125 4.125 4.098 0.027 19354 7662 1 11 . 1 1 120 120 TYR C C 120 176.169 176.169 175.801 0.368 19354 7663 1 11 . 1 1 120 120 TYR CA C 120 59.682 59.682 59.744 -0.062 19354 7664 1 11 . 1 1 120 120 TYR CB C 120 37.180 37.180 37.573 -0.393 19354 7665 1 11 . 1 1 120 120 TYR H H 120 7.886 7.886 7.253 0.633 19354 7666 1 11 . 1 1 121 121 ASN N N 121 115.992 115.992 111.044 4.948 19354 7667 1 11 . 1 1 121 121 ASN HA H 121 4.885 4.885 4.713 0.172 19354 7668 1 11 . 1 1 121 121 ASN C C 121 175.612 175.612 175.097 0.515 19354 7669 1 11 . 1 1 121 121 ASN CA C 121 52.670 52.670 53.249 -0.579 19354 7670 1 11 . 1 1 121 121 ASN CB C 121 38.058 38.058 38.514 -0.457 19354 7671 1 11 . 1 1 121 121 ASN H H 121 8.228 8.228 8.048 0.180 19354 7672 1 11 . 1 1 122 122 THR N N 122 109.094 109.094 116.261 -7.167 19354 7673 1 11 . 1 1 122 122 THR HA H 122 4.682 4.682 4.317 0.365 19354 7674 1 11 . 1 1 122 122 THR C C 122 175.844 175.844 175.349 0.495 19354 7675 1 11 . 1 1 122 122 THR CA C 122 61.815 61.815 62.805 -0.990 19354 7676 1 11 . 1 1 122 122 THR CB C 122 72.484 72.484 69.902 2.582 19354 7677 1 11 . 1 1 122 122 THR H H 122 7.649 7.649 8.191 -0.542 19354 7678 1 11 . 1 1 123 123 THR N N 123 112.067 112.067 118.283 -6.216 19354 7679 1 11 . 1 1 123 123 THR HA H 123 4.026 4.026 4.610 -0.584 19354 7680 1 11 . 1 1 123 123 THR C C 123 175.033 175.033 173.833 1.200 19354 7681 1 11 . 1 1 123 123 THR CA C 123 63.174 63.174 60.495 2.679 19354 7682 1 11 . 1 1 123 123 THR CB C 123 68.529 68.529 68.351 0.178 19354 7683 1 11 . 1 1 123 123 THR H H 123 8.261 8.261 8.430 -0.169 19354 7684 1 11 . 1 1 124 124 PHE N N 124 118.139 118.139 125.147 -7.008 19354 7685 1 11 . 1 1 124 124 PHE HA H 124 4.153 4.153 4.428 -0.275 19354 7686 1 11 . 1 1 124 124 PHE C C 124 175.398 175.398 174.820 0.578 19354 7687 1 11 . 1 1 124 124 PHE CA C 124 59.890 59.890 58.680 1.210 19354 7688 1 11 . 1 1 124 124 PHE CB C 124 39.668 39.668 39.467 0.201 19354 7689 1 11 . 1 1 124 124 PHE H H 124 7.764 7.764 7.964 -0.200 19354 7690 1 11 . 1 1 125 125 PHE N N 125 118.447 118.447 119.095 -0.648 19354 7691 1 11 . 1 1 125 125 PHE HA H 125 4.662 4.662 4.512 0.150 19354 7692 1 11 . 1 1 125 125 PHE CA C 125 56.245 56.245 55.395 0.850 19354 7693 1 11 . 1 1 125 125 PHE CB C 125 38.810 38.810 39.077 -0.267 19354 7694 1 11 . 1 1 125 125 PHE H H 125 7.670 7.670 7.969 -0.299 19354 7695 1 11 . 1 1 126 126 PRO HA H 126 4.398 4.398 4.625 -0.227 19354 7696 1 11 . 1 1 126 126 PRO CA C 126 62.432 62.432 62.503 -0.071 19354 7697 1 11 . 1 1 126 126 PRO CB C 126 32.670 32.670 32.570 0.100 19354 7698 1 11 . 1 1 127 127 LYS N N 127 118.753 118.753 119.501 -0.748 19354 7699 1 11 . 1 1 127 127 LYS HA H 127 3.580 3.580 4.132 -0.552 19354 7700 1 11 . 1 1 127 127 LYS C C 127 177.977 177.977 177.384 0.593 19354 7701 1 11 . 1 1 127 127 LYS CA C 127 60.279 60.279 58.464 1.815 19354 7702 1 11 . 1 1 127 127 LYS CB C 127 31.599 31.599 31.195 0.404 19354 7703 1 11 . 1 1 127 127 LYS H H 127 8.565 8.565 8.773 -0.208 19354 7704 1 11 . 1 1 128 128 PHE N N 128 110.638 110.638 118.271 -7.633 19354 7705 1 11 . 1 1 128 128 PHE HA H 128 4.481 4.481 4.300 0.181 19354 7706 1 11 . 1 1 128 128 PHE C C 128 173.946 173.946 175.190 -1.244 19354 7707 1 11 . 1 1 128 128 PHE CA C 128 57.841 57.841 59.972 -2.131 19354 7708 1 11 . 1 1 128 128 PHE CB C 128 36.807 36.807 38.647 -1.840 19354 7709 1 11 . 1 1 128 128 PHE H H 128 6.795 6.795 8.010 -1.215 19354 7710 1 11 . 1 1 129 129 LEU N N 129 119.653 119.653 118.871 0.782 19354 7711 1 11 . 1 1 129 129 LEU HA H 129 4.710 4.710 3.687 1.023 19354 7712 1 11 . 1 1 129 129 LEU C C 129 175.398 175.398 176.824 -1.426 19354 7713 1 11 . 1 1 129 129 LEU CA C 129 53.169 53.169 55.562 -2.393 19354 7714 1 11 . 1 1 129 129 LEU CB C 129 44.901 44.901 42.611 2.290 19354 7715 1 11 . 1 1 129 129 LEU H H 129 7.204 7.204 7.613 -0.409 19354 7716 1 11 . 1 1 130 130 ARG N N 130 116.807 116.807 114.953 1.854 19354 7717 1 11 . 1 1 130 130 ARG HA H 130 4.328 4.328 3.984 0.344 19354 7718 1 11 . 1 1 130 130 ARG C C 130 177.099 177.099 175.073 2.026 19354 7719 1 11 . 1 1 130 130 ARG CA C 130 55.250 55.250 56.270 -1.020 19354 7720 1 11 . 1 1 130 130 ARG CB C 130 30.355 30.355 28.373 1.982 19354 7721 1 11 . 1 1 130 130 ARG H H 130 7.090 7.090 8.374 -1.284 19354 7722 1 11 . 1 1 131 131 CYS N N 131 117.271 117.271 117.250 0.021 19354 7723 1 11 . 1 1 131 131 CYS HA H 131 4.588 4.588 4.625 -0.037 19354 7724 1 11 . 1 1 131 131 CYS C C 131 175.022 175.022 173.615 1.407 19354 7725 1 11 . 1 1 131 131 CYS CA C 131 54.449 54.449 57.890 -3.441 19354 7726 1 11 . 1 1 131 131 CYS CB C 131 34.958 34.958 29.790 5.168 19354 7727 1 11 . 1 1 131 131 CYS H H 131 8.210 8.210 8.099 0.111 19354 7728 1 11 . 1 1 132 132 ASN N N 132 120.232 120.232 124.126 -3.894 19354 7729 1 11 . 1 1 132 132 ASN HA H 132 4.811 4.811 4.789 0.022 19354 7730 1 11 . 1 1 132 132 ASN C C 132 175.080 175.080 174.129 0.951 19354 7731 1 11 . 1 1 132 132 ASN CA C 132 53.188 53.188 52.433 0.755 19354 7732 1 11 . 1 1 132 132 ASN CB C 132 40.003 40.003 39.064 0.939 19354 7733 1 11 . 1 1 132 132 ASN H H 132 7.801 7.801 8.413 -0.612 19354 7734 1 11 . 1 1 133 133 GLU N N 133 123.435 123.435 122.969 0.466 19354 7735 1 11 . 1 1 133 133 GLU HA H 133 4.225 4.225 4.366 -0.141 19354 7736 1 11 . 1 1 133 133 GLU C C 133 176.447 176.447 176.772 -0.325 19354 7737 1 11 . 1 1 133 133 GLU CA C 133 57.928 57.928 57.532 0.396 19354 7738 1 11 . 1 1 133 133 GLU CB C 133 29.822 29.822 30.470 -0.648 19354 7739 1 11 . 1 1 133 133 GLU H H 133 9.086 9.086 8.645 0.441 19354 7740 1 11 . 1 1 134 134 THR N N 134 113.403 113.403 113.369 0.034 19354 7741 1 11 . 1 1 134 134 THR HA H 134 3.964 3.964 4.404 -0.440 19354 7742 1 11 . 1 1 134 134 THR C C 134 174.853 174.853 175.513 -0.660 19354 7743 1 11 . 1 1 134 134 THR CA C 134 63.694 63.694 62.635 1.059 19354 7744 1 11 . 1 1 134 134 THR CB C 134 68.841 68.841 68.582 0.259 19354 7745 1 11 . 1 1 134 134 THR H H 134 8.067 8.067 8.261 -0.194 19354 7746 1 11 . 1 1 135 135 LEU N N 135 121.377 121.377 120.687 0.690 19354 7747 1 11 . 1 1 135 135 LEU HA H 135 3.964 3.964 4.640 -0.676 19354 7748 1 11 . 1 1 135 135 LEU C C 135 176.215 176.215 175.873 0.342 19354 7749 1 11 . 1 1 135 135 LEU CA C 135 55.656 55.656 55.251 0.405 19354 7750 1 11 . 1 1 135 135 LEU CB C 135 42.291 42.291 42.580 -0.289 19354 7751 1 11 . 1 1 135 135 LEU H H 135 7.448 7.448 7.859 -0.411 19354 7752 1 11 . 1 1 136 136 PHE N N 136 117.704 117.704 111.546 6.158 19354 7753 1 11 . 1 1 136 136 PHE HA H 136 5.202 5.202 4.984 0.218 19354 7754 1 11 . 1 1 136 136 PHE C C 136 179.412 179.412 173.287 6.125 19354 7755 1 11 . 1 1 136 136 PHE CA C 136 53.495 53.495 55.137 -1.642 19354 7756 1 11 . 1 1 136 136 PHE CB C 136 39.248 39.248 36.919 2.329 19354 7757 1 11 . 1 1 136 136 PHE H H 136 7.542 7.542 7.325 0.217 19354 7758 1 11 . 1 1 137 137 PRO HA H 137 4.528 4.528 4.257 0.271 19354 7759 1 11 . 1 1 137 137 PRO CA C 137 62.949 62.949 64.729 -1.780 19354 7760 1 11 . 1 1 137 137 PRO CB C 137 32.242 32.242 32.323 -0.081 19354 7761 1 11 . 1 1 138 138 THR N N 138 114.025 114.025 113.000 1.025 19354 7762 1 11 . 1 1 138 138 THR HA H 138 4.324 4.324 4.207 0.117 19354 7763 1 11 . 1 1 138 138 THR C C 138 174.175 174.175 174.966 -0.791 19354 7764 1 11 . 1 1 138 138 THR CA C 138 61.863 61.863 63.798 -1.935 19354 7765 1 11 . 1 1 138 138 THR CB C 138 69.742 69.742 69.147 0.595 19354 7766 1 11 . 1 1 138 138 THR H H 138 8.452 8.452 8.511 -0.059 19354 7767 1 12 . 1 1 13 13 GLY N N 13 110.400 110.400 109.415 0.985 19354 7768 1 12 . 1 1 13 13 GLY C C 13 173.560 173.560 171.825 1.735 19354 7769 1 12 . 1 1 13 13 GLY CA C 13 45.111 45.111 45.551 -0.440 19354 7770 1 12 . 1 1 13 13 GLY H H 13 8.335 8.335 7.813 0.522 19354 7771 1 12 . 1 1 14 14 LEU N N 14 121.222 121.222 119.553 1.669 19354 7772 1 12 . 1 1 14 14 LEU HA H 14 4.378 4.378 4.556 -0.178 19354 7773 1 12 . 1 1 14 14 LEU C C 14 177.119 177.119 175.837 1.282 19354 7774 1 12 . 1 1 14 14 LEU CA C 14 54.838 54.838 53.402 1.436 19354 7775 1 12 . 1 1 14 14 LEU CB C 14 42.429 42.429 45.226 -2.797 19354 7776 1 12 . 1 1 14 14 LEU H H 14 7.915 7.915 8.215 -0.300 19354 7777 1 12 . 1 1 15 15 VAL N N 15 123.222 123.222 119.814 3.408 19354 7778 1 12 . 1 1 15 15 VAL HA H 15 4.335 4.335 4.639 -0.304 19354 7779 1 12 . 1 1 15 15 VAL C C 15 175.602 175.602 174.134 1.468 19354 7780 1 12 . 1 1 15 15 VAL CA C 15 59.375 59.375 58.655 0.720 19354 7781 1 12 . 1 1 15 15 VAL CB C 15 33.197 33.197 34.944 -1.747 19354 7782 1 12 . 1 1 15 15 VAL H H 15 8.297 8.297 8.389 -0.092 19354 7783 1 12 . 1 1 16 16 PRO HA H 16 4.379 4.379 4.645 -0.266 19354 7784 1 12 . 1 1 16 16 PRO CA C 16 62.925 62.925 63.354 -0.429 19354 7785 1 12 . 1 1 16 16 PRO CB C 16 32.043 32.043 30.746 1.297 19354 7786 1 12 . 1 1 17 17 ARG N N 17 122.742 122.742 121.546 1.196 19354 7787 1 12 . 1 1 17 17 ARG HA H 17 4.219 4.219 4.467 -0.248 19354 7788 1 12 . 1 1 17 17 ARG C C 17 176.586 176.586 175.939 0.647 19354 7789 1 12 . 1 1 17 17 ARG CA C 17 55.479 55.479 55.654 -0.175 19354 7790 1 12 . 1 1 17 17 ARG CB C 17 30.889 30.889 31.389 -0.500 19354 7791 1 12 . 1 1 17 17 ARG H H 17 8.469 8.469 8.338 0.131 19354 7792 1 12 . 1 1 18 18 GLY N N 18 111.993 111.993 110.171 1.822 19354 7793 1 12 . 1 1 18 18 GLY C C 18 174.453 174.453 174.025 0.428 19354 7794 1 12 . 1 1 18 18 GLY CA C 18 45.670 45.670 44.619 1.051 19354 7795 1 12 . 1 1 18 18 GLY H H 18 8.538 8.538 7.912 0.626 19354 7796 1 12 . 1 1 19 19 SER HA H 19 4.318 4.318 4.181 0.137 19354 7797 1 12 . 1 1 19 19 SER CA C 19 58.480 58.480 59.672 -1.192 19354 7798 1 12 . 1 1 19 19 SER CB C 19 63.535 63.535 63.635 -0.100 19354 7799 1 12 . 1 1 20 20 HIS N N 20 120.039 120.039 117.133 2.906 19354 7800 1 12 . 1 1 20 20 HIS HA H 20 4.678 4.678 4.834 -0.156 19354 7801 1 12 . 1 1 20 20 HIS C C 20 174.263 174.263 174.247 0.016 19354 7802 1 12 . 1 1 20 20 HIS CA C 20 55.889 55.889 55.299 0.590 19354 7803 1 12 . 1 1 20 20 HIS CB C 20 32.027 32.027 28.748 3.279 19354 7804 1 12 . 1 1 20 20 HIS H H 20 8.344 8.344 8.362 -0.018 19354 7805 1 12 . 1 1 21 21 MET N N 21 120.453 120.453 120.183 0.270 19354 7806 1 12 . 1 1 21 21 MET HA H 21 4.676 4.676 4.726 -0.050 19354 7807 1 12 . 1 1 21 21 MET C C 21 174.808 174.808 174.866 -0.058 19354 7808 1 12 . 1 1 21 21 MET CA C 21 54.232 54.232 54.862 -0.630 19354 7809 1 12 . 1 1 21 21 MET CB C 21 32.377 32.377 34.891 -2.514 19354 7810 1 12 . 1 1 21 21 MET H H 21 8.587 8.587 8.415 0.172 19354 7811 1 12 . 1 1 22 22 VAL N N 22 112.794 112.794 116.305 -3.511 19354 7812 1 12 . 1 1 22 22 VAL HA H 22 5.297 5.297 4.961 0.336 19354 7813 1 12 . 1 1 22 22 VAL C C 22 175.218 175.218 174.358 0.860 19354 7814 1 12 . 1 1 22 22 VAL CA C 22 57.885 57.885 60.084 -2.200 19354 7815 1 12 . 1 1 22 22 VAL CB C 22 35.895 35.895 35.602 0.293 19354 7816 1 12 . 1 1 22 22 VAL H H 22 7.805 7.805 7.622 0.183 19354 7817 1 12 . 1 1 23 23 ARG N N 23 117.854 117.854 120.378 -2.524 19354 7818 1 12 . 1 1 23 23 ARG HA H 23 4.578 4.578 4.686 -0.108 19354 7819 1 12 . 1 1 23 23 ARG C C 23 174.128 174.128 174.664 -0.536 19354 7820 1 12 . 1 1 23 23 ARG CA C 23 54.192 54.192 55.090 -0.898 19354 7821 1 12 . 1 1 23 23 ARG CB C 23 34.757 34.757 33.445 1.312 19354 7822 1 12 . 1 1 23 23 ARG H H 23 8.430 8.430 7.946 0.484 19354 7823 1 12 . 1 1 24 24 ARG N N 24 124.928 124.928 124.751 0.177 19354 7824 1 12 . 1 1 24 24 ARG HA H 24 4.619 4.619 4.420 0.199 19354 7825 1 12 . 1 1 24 24 ARG C C 24 176.265 176.265 175.305 0.960 19354 7826 1 12 . 1 1 24 24 ARG CA C 24 57.824 57.824 56.349 1.474 19354 7827 1 12 . 1 1 24 24 ARG CB C 24 29.913 29.913 27.663 2.250 19354 7828 1 12 . 1 1 24 24 ARG H H 24 8.569 8.569 8.499 0.070 19354 7829 1 12 . 1 1 25 25 ALA N N 25 127.390 127.390 125.243 2.147 19354 7830 1 12 . 1 1 25 25 ALA HA H 25 4.379 4.379 4.689 -0.310 19354 7831 1 12 . 1 1 25 25 ALA C C 25 174.173 174.173 176.770 -2.597 19354 7832 1 12 . 1 1 25 25 ALA CA C 25 51.382 51.382 51.153 0.229 19354 7833 1 12 . 1 1 25 25 ALA CB C 25 23.050 23.050 20.569 2.481 19354 7834 1 12 . 1 1 25 25 ALA H H 25 8.082 8.082 8.054 0.028 19354 7835 1 12 . 1 1 26 26 ARG N N 26 116.820 116.820 118.543 -1.723 19354 7836 1 12 . 1 1 26 26 ARG HA H 26 4.692 4.692 4.396 0.296 19354 7837 1 12 . 1 1 26 26 ARG C C 26 177.847 177.847 175.040 2.807 19354 7838 1 12 . 1 1 26 26 ARG CA C 26 55.271 55.271 55.687 -0.416 19354 7839 1 12 . 1 1 26 26 ARG CB C 26 31.215 31.215 31.657 -0.442 19354 7840 1 12 . 1 1 26 26 ARG H H 26 8.133 8.133 8.470 -0.337 19354 7841 1 12 . 1 1 27 27 CYS N N 27 126.567 126.567 119.533 7.034 19354 7842 1 12 . 1 1 27 27 CYS HA H 27 5.732 5.732 4.911 0.821 19354 7843 1 12 . 1 1 27 27 CYS C C 27 175.288 175.288 173.460 1.828 19354 7844 1 12 . 1 1 27 27 CYS CA C 27 51.785 51.785 57.932 -6.147 19354 7845 1 12 . 1 1 27 27 CYS CB C 27 38.246 38.246 29.413 8.833 19354 7846 1 12 . 1 1 27 27 CYS H H 27 9.709 9.709 8.340 1.369 19354 7847 1 12 . 1 1 28 28 TYR N N 28 120.309 120.309 124.342 -4.033 19354 7848 1 12 . 1 1 28 28 TYR HA H 28 5.079 5.079 5.180 -0.101 19354 7849 1 12 . 1 1 28 28 TYR CA C 28 54.951 54.951 54.158 0.793 19354 7850 1 12 . 1 1 28 28 TYR CB C 28 39.807 39.807 38.856 0.951 19354 7851 1 12 . 1 1 28 28 TYR H H 28 8.870 8.870 9.029 -0.159 19354 7852 1 12 . 1 1 29 29 PRO HA H 29 4.836 4.836 4.722 0.114 19354 7853 1 12 . 1 1 29 29 PRO CA C 29 61.773 61.773 62.803 -1.030 19354 7854 1 12 . 1 1 29 29 PRO CB C 29 31.173 31.173 31.802 -0.629 19354 7855 1 12 . 1 1 30 30 THR N N 30 115.177 115.177 120.962 -5.785 19354 7856 1 12 . 1 1 30 30 THR HA H 30 4.253 4.253 4.254 -0.001 19354 7857 1 12 . 1 1 30 30 THR C C 30 173.688 173.688 175.096 -1.408 19354 7858 1 12 . 1 1 30 30 THR CA C 30 61.324 61.324 64.997 -3.673 19354 7859 1 12 . 1 1 30 30 THR CB C 30 70.191 70.191 69.157 1.034 19354 7860 1 12 . 1 1 30 30 THR H H 30 7.978 7.978 8.745 -0.767 19354 7861 1 12 . 1 1 31 31 SER N N 31 116.822 116.822 114.019 2.803 19354 7862 1 12 . 1 1 31 31 SER HA H 31 4.702 4.702 4.598 0.104 19354 7863 1 12 . 1 1 31 31 SER C C 31 175.079 175.079 174.871 0.208 19354 7864 1 12 . 1 1 31 31 SER CA C 31 57.057 57.057 56.530 0.527 19354 7865 1 12 . 1 1 31 31 SER CB C 31 66.020 66.020 64.403 1.617 19354 7866 1 12 . 1 1 31 31 SER H H 31 8.451 8.451 8.066 0.385 19354 7867 1 12 . 1 1 32 32 ASN N N 32 118.803 118.803 119.951 -1.148 19354 7868 1 12 . 1 1 32 32 ASN HA H 32 4.385 4.385 4.616 -0.231 19354 7869 1 12 . 1 1 32 32 ASN C C 32 175.705 175.705 175.581 0.124 19354 7870 1 12 . 1 1 32 32 ASN CA C 32 55.564 55.564 55.465 0.099 19354 7871 1 12 . 1 1 32 32 ASN CB C 32 37.637 37.637 38.786 -1.149 19354 7872 1 12 . 1 1 32 32 ASN H H 32 8.802 8.802 8.812 -0.010 19354 7873 1 12 . 1 1 33 33 ALA N N 33 118.571 118.571 119.655 -1.084 19354 7874 1 12 . 1 1 33 33 ALA HA H 33 4.262 4.262 4.428 -0.166 19354 7875 1 12 . 1 1 33 33 ALA C C 33 179.229 179.229 177.102 2.127 19354 7876 1 12 . 1 1 33 33 ALA CA C 33 53.087 53.087 52.614 0.473 19354 7877 1 12 . 1 1 33 33 ALA CB C 33 19.563 19.563 20.515 -0.952 19354 7878 1 12 . 1 1 33 33 ALA H H 33 8.004 8.004 8.155 -0.151 19354 7879 1 12 . 1 1 34 34 THR N N 34 106.312 106.312 110.635 -4.323 19354 7880 1 12 . 1 1 34 34 THR HA H 34 4.581 4.581 4.362 0.219 19354 7881 1 12 . 1 1 34 34 THR C C 34 175.334 175.334 172.550 2.784 19354 7882 1 12 . 1 1 34 34 THR CA C 34 60.586 60.586 61.668 -1.082 19354 7883 1 12 . 1 1 34 34 THR CB C 34 70.195 70.195 69.536 0.659 19354 7884 1 12 . 1 1 34 34 THR H H 34 7.551 7.551 7.718 -0.167 19354 7885 1 12 . 1 1 35 35 ASN N N 35 122.599 122.599 120.998 1.601 19354 7886 1 12 . 1 1 35 35 ASN HA H 35 4.528 4.528 4.889 -0.361 19354 7887 1 12 . 1 1 35 35 ASN C C 35 174.221 174.221 174.066 0.155 19354 7888 1 12 . 1 1 35 35 ASN CA C 35 52.790 52.790 53.164 -0.374 19354 7889 1 12 . 1 1 35 35 ASN CB C 35 36.768 36.768 39.971 -3.203 19354 7890 1 12 . 1 1 35 35 ASN H H 35 7.897 7.897 8.509 -0.612 19354 7891 1 12 . 1 1 36 36 THR N N 36 107.151 107.151 116.622 -9.471 19354 7892 1 12 . 1 1 36 36 THR HA H 36 4.979 4.979 4.465 0.514 19354 7893 1 12 . 1 1 36 36 THR C C 36 173.651 173.651 173.016 0.635 19354 7894 1 12 . 1 1 36 36 THR CA C 36 59.011 59.011 61.879 -2.868 19354 7895 1 12 . 1 1 36 36 THR CB C 36 72.745 72.745 71.546 1.199 19354 7896 1 12 . 1 1 36 36 THR H H 36 7.490 7.490 8.232 -0.742 19354 7897 1 12 . 1 1 37 37 CYS N N 37 118.809 118.809 125.694 -6.885 19354 7898 1 12 . 1 1 37 37 CYS HA H 37 4.095 4.095 4.862 -0.767 19354 7899 1 12 . 1 1 37 37 CYS C C 37 173.688 173.688 173.482 0.206 19354 7900 1 12 . 1 1 37 37 CYS CA C 37 55.634 55.634 58.760 -3.126 19354 7901 1 12 . 1 1 37 37 CYS CB C 37 45.854 45.854 28.632 17.222 19354 7902 1 12 . 1 1 37 37 CYS H H 37 8.632 8.632 8.617 0.015 19354 7903 1 12 . 1 1 38 38 PHE N N 38 128.190 128.190 124.614 3.576 19354 7904 1 12 . 1 1 38 38 PHE HA H 38 4.275 4.275 4.240 0.035 19354 7905 1 12 . 1 1 38 38 PHE C C 38 176.261 176.261 176.706 -0.445 19354 7906 1 12 . 1 1 38 38 PHE CA C 38 59.067 59.067 57.937 1.130 19354 7907 1 12 . 1 1 38 38 PHE CB C 38 36.576 36.576 37.727 -1.151 19354 7908 1 12 . 1 1 38 38 PHE H H 38 9.018 9.018 9.253 -0.235 19354 7909 1 12 . 1 1 39 39 GLY N N 39 104.504 104.504 107.497 -2.993 19354 7910 1 12 . 1 1 39 39 GLY C C 39 174.173 174.173 174.400 -0.227 19354 7911 1 12 . 1 1 39 39 GLY CA C 39 45.112 45.112 45.249 -0.137 19354 7912 1 12 . 1 1 39 39 GLY H H 39 8.566 8.566 8.503 0.063 19354 7913 1 12 . 1 1 40 40 SER N N 40 116.201 116.201 121.353 -5.152 19354 7914 1 12 . 1 1 40 40 SER HA H 40 4.529 4.529 4.379 0.150 19354 7915 1 12 . 1 1 40 40 SER C C 40 173.873 173.873 174.584 -0.711 19354 7916 1 12 . 1 1 40 40 SER CA C 40 57.436 57.436 59.222 -1.786 19354 7917 1 12 . 1 1 40 40 SER CB C 40 63.718 63.718 63.506 0.212 19354 7918 1 12 . 1 1 40 40 SER H H 40 7.533 7.533 8.305 -0.772 19354 7919 1 12 . 1 1 41 41 LYS N N 41 127.456 127.456 125.629 1.827 19354 7920 1 12 . 1 1 41 41 LYS HA H 41 4.056 4.056 4.132 -0.076 19354 7921 1 12 . 1 1 41 41 LYS C C 41 176.632 176.632 176.088 0.544 19354 7922 1 12 . 1 1 41 41 LYS CA C 41 56.409 56.409 56.578 -0.169 19354 7923 1 12 . 1 1 41 41 LYS CB C 41 32.169 32.169 33.141 -0.972 19354 7924 1 12 . 1 1 41 41 LYS H H 41 8.768 8.768 8.433 0.335 19354 7925 1 12 . 1 1 42 42 LEU N N 42 128.016 128.016 125.126 2.890 19354 7926 1 12 . 1 1 42 42 LEU HA H 42 4.120 4.120 4.385 -0.265 19354 7927 1 12 . 1 1 42 42 LEU CA C 42 52.010 52.010 52.325 -0.316 19354 7928 1 12 . 1 1 42 42 LEU CB C 42 40.680 40.680 41.095 -0.415 19354 7929 1 12 . 1 1 42 42 LEU H H 42 8.304 8.304 7.931 0.373 19354 7930 1 12 . 1 1 43 43 PRO HA H 43 4.453 4.453 4.239 0.214 19354 7931 1 12 . 1 1 43 43 PRO CA C 43 62.807 62.807 64.004 -1.197 19354 7932 1 12 . 1 1 43 43 PRO CB C 43 29.625 29.625 31.802 -2.176 19354 7933 1 12 . 1 1 44 44 TYR N N 44 116.871 116.871 114.691 2.180 19354 7934 1 12 . 1 1 44 44 TYR HA H 44 4.689 4.689 4.842 -0.153 19354 7935 1 12 . 1 1 44 44 TYR C C 44 175.239 175.239 175.260 -0.021 19354 7936 1 12 . 1 1 44 44 TYR CA C 44 53.718 53.718 55.056 -1.339 19354 7937 1 12 . 1 1 44 44 TYR CB C 44 38.637 38.637 39.507 -0.870 19354 7938 1 12 . 1 1 44 44 TYR H H 44 6.311 6.311 6.858 -0.547 19354 7939 1 12 . 1 1 45 45 GLU N N 45 118.221 118.221 121.719 -3.498 19354 7940 1 12 . 1 1 45 45 GLU HA H 45 4.138 4.138 4.473 -0.335 19354 7941 1 12 . 1 1 45 45 GLU C C 45 176.282 176.282 175.038 1.244 19354 7942 1 12 . 1 1 45 45 GLU CA C 45 57.502 57.502 56.035 1.467 19354 7943 1 12 . 1 1 45 45 GLU CB C 45 31.105 31.105 30.202 0.903 19354 7944 1 12 . 1 1 45 45 GLU H H 45 8.591 8.591 8.851 -0.260 19354 7945 1 12 . 1 1 46 46 LEU N N 46 119.826 119.826 119.184 0.642 19354 7946 1 12 . 1 1 46 46 LEU HA H 46 4.974 4.974 5.315 -0.341 19354 7947 1 12 . 1 1 46 46 LEU C C 46 175.420 175.420 176.012 -0.592 19354 7948 1 12 . 1 1 46 46 LEU CA C 46 53.202 53.202 53.453 -0.251 19354 7949 1 12 . 1 1 46 46 LEU CB C 46 43.587 43.587 45.194 -1.607 19354 7950 1 12 . 1 1 46 46 LEU H H 46 8.176 8.176 7.691 0.485 19354 7951 1 12 . 1 1 47 47 SER N N 47 111.561 111.561 112.230 -0.669 19354 7952 1 12 . 1 1 47 47 SER HA H 47 5.020 5.020 4.559 0.461 19354 7953 1 12 . 1 1 47 47 SER C C 47 173.833 173.833 172.210 1.623 19354 7954 1 12 . 1 1 47 47 SER CA C 47 53.006 53.006 56.866 -3.860 19354 7955 1 12 . 1 1 47 47 SER CB C 47 64.691 64.691 65.071 -0.380 19354 7956 1 12 . 1 1 47 47 SER H H 47 7.924 7.924 8.369 -0.445 19354 7957 1 12 . 1 1 48 48 SER N N 48 111.459 111.459 120.424 -8.965 19354 7958 1 12 . 1 1 48 48 SER HA H 48 4.841 4.841 4.800 0.041 19354 7959 1 12 . 1 1 48 48 SER C C 48 175.602 175.602 174.636 0.966 19354 7960 1 12 . 1 1 48 48 SER CA C 48 57.388 57.388 56.944 0.444 19354 7961 1 12 . 1 1 48 48 SER CB C 48 66.333 66.333 63.236 3.097 19354 7962 1 12 . 1 1 48 48 SER H H 48 8.628 8.628 8.792 -0.164 19354 7963 1 12 . 1 1 49 49 LEU N N 49 128.995 128.995 130.195 -1.200 19354 7964 1 12 . 1 1 49 49 LEU HA H 49 4.383 4.383 4.477 -0.094 19354 7965 1 12 . 1 1 49 49 LEU C C 49 179.571 179.571 178.127 1.444 19354 7966 1 12 . 1 1 49 49 LEU CA C 49 56.032 56.032 57.306 -1.274 19354 7967 1 12 . 1 1 49 49 LEU CB C 49 41.904 41.904 41.816 0.088 19354 7968 1 12 . 1 1 49 49 LEU H H 49 9.519 9.519 9.373 0.146 19354 7969 1 12 . 1 1 50 50 ASP N N 50 115.013 115.013 117.887 -2.874 19354 7970 1 12 . 1 1 50 50 ASP HA H 50 4.168 4.168 4.402 -0.234 19354 7971 1 12 . 1 1 50 50 ASP C C 50 176.486 176.486 177.185 -0.699 19354 7972 1 12 . 1 1 50 50 ASP CA C 50 58.352 58.352 56.246 2.106 19354 7973 1 12 . 1 1 50 50 ASP CB C 50 41.259 41.259 40.685 0.574 19354 7974 1 12 . 1 1 50 50 ASP H H 50 8.191 8.191 8.070 0.121 19354 7975 1 12 . 1 1 51 51 LEU N N 51 118.298 118.298 119.296 -0.998 19354 7976 1 12 . 1 1 51 51 LEU HA H 51 4.329 4.329 4.264 0.065 19354 7977 1 12 . 1 1 51 51 LEU C C 51 175.556 175.556 176.011 -0.455 19354 7978 1 12 . 1 1 51 51 LEU CA C 51 54.483 54.483 55.354 -0.871 19354 7979 1 12 . 1 1 51 51 LEU CB C 51 39.219 39.219 42.517 -3.298 19354 7980 1 12 . 1 1 51 51 LEU H H 51 8.732 8.732 7.646 1.086 19354 7981 1 12 . 1 1 52 52 THR N N 52 106.427 106.427 109.288 -2.861 19354 7982 1 12 . 1 1 52 52 THR HA H 52 2.784 2.784 4.531 -1.747 19354 7983 1 12 . 1 1 52 52 THR C C 52 172.812 172.812 173.349 -0.537 19354 7984 1 12 . 1 1 52 52 THR CA C 52 58.759 58.759 60.312 -1.553 19354 7985 1 12 . 1 1 52 52 THR CB C 52 71.985 71.985 71.428 0.557 19354 7986 1 12 . 1 1 52 52 THR H H 52 7.574 7.574 7.404 0.170 19354 7987 1 12 . 1 1 53 53 ASP HA H 53 4.398 4.398 4.739 -0.341 19354 7988 1 12 . 1 1 53 53 ASP CA C 53 52.757 52.757 52.783 -0.026 19354 7989 1 12 . 1 1 53 53 ASP CB C 53 40.737 40.737 39.597 1.140 19354 7990 1 12 . 1 1 54 54 PHE N N 54 117.929 117.929 118.081 -0.152 19354 7991 1 12 . 1 1 54 54 PHE HA H 54 4.498 4.498 4.733 -0.235 19354 7992 1 12 . 1 1 54 54 PHE C C 54 176.169 176.169 175.468 0.701 19354 7993 1 12 . 1 1 54 54 PHE CA C 54 57.477 57.477 56.168 1.309 19354 7994 1 12 . 1 1 54 54 PHE CB C 54 39.270 39.270 41.345 -2.075 19354 7995 1 12 . 1 1 54 54 PHE H H 54 7.575 7.575 7.412 0.163 19354 7996 1 12 . 1 1 55 55 HIS N N 55 115.333 115.333 118.461 -3.128 19354 7997 1 12 . 1 1 55 55 HIS HA H 55 4.585 4.585 4.819 -0.234 19354 7998 1 12 . 1 1 55 55 HIS C C 55 175.080 175.080 174.586 0.494 19354 7999 1 12 . 1 1 55 55 HIS CA C 55 56.439 56.439 56.004 0.435 19354 8000 1 12 . 1 1 55 55 HIS CB C 55 31.104 31.104 31.558 -0.454 19354 8001 1 12 . 1 1 55 55 HIS H H 55 9.230 9.230 8.744 0.486 19354 8002 1 12 . 1 1 56 56 THR N N 56 106.891 106.891 112.251 -5.360 19354 8003 1 12 . 1 1 56 56 THR HA H 56 4.528 4.528 4.442 0.086 19354 8004 1 12 . 1 1 56 56 THR C C 56 173.696 173.696 173.933 -0.237 19354 8005 1 12 . 1 1 56 56 THR CA C 56 58.725 58.725 61.454 -2.729 19354 8006 1 12 . 1 1 56 56 THR CB C 56 72.851 72.851 69.716 3.135 19354 8007 1 12 . 1 1 56 56 THR H H 56 7.343 7.343 7.540 -0.197 19354 8008 1 12 . 1 1 57 57 GLU N N 57 121.798 121.798 123.914 -2.116 19354 8009 1 12 . 1 1 57 57 GLU HA H 57 3.611 3.611 3.810 -0.199 19354 8010 1 12 . 1 1 57 57 GLU C C 57 178.417 178.417 178.157 0.260 19354 8011 1 12 . 1 1 57 57 GLU CA C 57 59.380 59.380 60.409 -1.029 19354 8012 1 12 . 1 1 57 57 GLU CB C 57 29.873 29.873 29.537 0.336 19354 8013 1 12 . 1 1 57 57 GLU H H 57 8.841 8.841 8.728 0.113 19354 8014 1 12 . 1 1 58 58 LYS N N 58 121.091 121.091 118.239 2.852 19354 8015 1 12 . 1 1 58 58 LYS HA H 58 3.903 3.903 3.901 0.002 19354 8016 1 12 . 1 1 58 58 LYS C C 58 177.745 177.745 178.836 -1.091 19354 8017 1 12 . 1 1 58 58 LYS CA C 58 59.470 59.470 59.144 0.326 19354 8018 1 12 . 1 1 58 58 LYS CB C 58 32.130 32.130 31.884 0.246 19354 8019 1 12 . 1 1 58 58 LYS H H 58 8.307 8.307 7.627 0.680 19354 8020 1 12 . 1 1 59 59 GLU N N 59 117.790 117.790 119.654 -1.864 19354 8021 1 12 . 1 1 59 59 GLU HA H 59 3.852 3.852 4.066 -0.214 19354 8022 1 12 . 1 1 59 59 GLU C C 59 178.051 178.051 178.448 -0.397 19354 8023 1 12 . 1 1 59 59 GLU CA C 59 59.094 59.094 59.215 -0.121 19354 8024 1 12 . 1 1 59 59 GLU CB C 59 30.468 30.468 29.418 1.050 19354 8025 1 12 . 1 1 59 59 GLU H H 59 7.537 7.537 7.857 -0.320 19354 8026 1 12 . 1 1 60 60 LEU N N 60 118.763 118.763 120.611 -1.848 19354 8027 1 12 . 1 1 60 60 LEU HA H 60 3.211 3.211 2.377 0.834 19354 8028 1 12 . 1 1 60 60 LEU C C 60 178.070 178.070 178.261 -0.191 19354 8029 1 12 . 1 1 60 60 LEU CA C 60 59.007 59.007 57.134 1.873 19354 8030 1 12 . 1 1 60 60 LEU CB C 60 42.750 42.750 41.731 1.019 19354 8031 1 12 . 1 1 60 60 LEU H H 60 7.321 7.321 7.119 0.202 19354 8032 1 12 . 1 1 61 61 ASN N N 61 116.987 116.987 116.175 0.812 19354 8033 1 12 . 1 1 61 61 ASN HA H 61 4.127 4.127 4.265 -0.138 19354 8034 1 12 . 1 1 61 61 ASN C C 61 177.689 177.689 176.942 0.747 19354 8035 1 12 . 1 1 61 61 ASN CA C 61 57.310 57.310 56.188 1.122 19354 8036 1 12 . 1 1 61 61 ASN CB C 61 39.288 39.288 38.466 0.822 19354 8037 1 12 . 1 1 61 61 ASN H H 61 8.335 8.335 7.948 0.387 19354 8038 1 12 . 1 1 62 62 ASP N N 62 120.935 120.935 119.445 1.490 19354 8039 1 12 . 1 1 62 62 ASP HA H 62 4.306 4.306 4.425 -0.119 19354 8040 1 12 . 1 1 62 62 ASP C C 62 178.868 178.868 178.298 0.570 19354 8041 1 12 . 1 1 62 62 ASP CA C 62 57.510 57.510 56.301 1.209 19354 8042 1 12 . 1 1 62 62 ASP CB C 62 39.596 39.596 41.180 -1.584 19354 8043 1 12 . 1 1 62 62 ASP H H 62 8.376 8.376 7.781 0.595 19354 8044 1 12 . 1 1 63 63 LYS N N 63 119.626 119.626 120.685 -1.059 19354 8045 1 12 . 1 1 63 63 LYS HA H 63 4.168 4.168 4.176 -0.008 19354 8046 1 12 . 1 1 63 63 LYS C C 63 179.458 179.458 178.726 0.732 19354 8047 1 12 . 1 1 63 63 LYS CA C 63 55.698 55.698 58.884 -3.186 19354 8048 1 12 . 1 1 63 63 LYS CB C 63 31.082 31.082 32.136 -1.054 19354 8049 1 12 . 1 1 63 63 LYS H H 63 7.748 7.748 7.696 0.052 19354 8050 1 12 . 1 1 64 64 LEU N N 64 120.255 120.255 120.718 -0.463 19354 8051 1 12 . 1 1 64 64 LEU HA H 64 3.688 3.688 4.029 -0.341 19354 8052 1 12 . 1 1 64 64 LEU C C 64 178.732 178.732 178.526 0.206 19354 8053 1 12 . 1 1 64 64 LEU CA C 64 57.722 57.722 58.227 -0.505 19354 8054 1 12 . 1 1 64 64 LEU CB C 64 41.236 41.236 41.678 -0.442 19354 8055 1 12 . 1 1 64 64 LEU H H 64 8.221 8.221 7.632 0.589 19354 8056 1 12 . 1 1 65 65 ASN N N 65 113.630 113.630 117.183 -3.553 19354 8057 1 12 . 1 1 65 65 ASN HA H 65 4.580 4.580 4.127 0.453 19354 8058 1 12 . 1 1 65 65 ASN C C 65 178.394 178.394 177.706 0.688 19354 8059 1 12 . 1 1 65 65 ASN CA C 65 55.628 55.628 56.580 -0.952 19354 8060 1 12 . 1 1 65 65 ASN CB C 65 38.269 38.269 38.226 0.043 19354 8061 1 12 . 1 1 65 65 ASN H H 65 7.482 7.482 7.713 -0.231 19354 8062 1 12 . 1 1 66 66 ASP N N 66 120.683 120.683 119.623 1.060 19354 8063 1 12 . 1 1 66 66 ASP HA H 66 4.482 4.482 4.449 0.033 19354 8064 1 12 . 1 1 66 66 ASP C C 66 179.095 179.095 178.886 0.209 19354 8065 1 12 . 1 1 66 66 ASP CA C 66 56.623 56.623 57.698 -1.075 19354 8066 1 12 . 1 1 66 66 ASP CB C 66 39.883 39.883 41.131 -1.248 19354 8067 1 12 . 1 1 66 66 ASP H H 66 7.834 7.834 8.276 -0.442 19354 8068 1 12 . 1 1 67 67 TYR N N 67 116.512 116.512 120.802 -4.290 19354 8069 1 12 . 1 1 67 67 TYR HA H 67 3.984 3.984 4.381 -0.397 19354 8070 1 12 . 1 1 67 67 TYR C C 67 176.554 176.554 177.848 -1.294 19354 8071 1 12 . 1 1 67 67 TYR CA C 67 62.142 62.142 60.795 1.347 19354 8072 1 12 . 1 1 67 67 TYR CB C 67 37.436 37.436 38.357 -0.921 19354 8073 1 12 . 1 1 67 67 TYR H H 67 8.132 8.132 7.784 0.348 19354 8074 1 12 . 1 1 68 68 TYR N N 68 118.786 118.786 120.371 -1.585 19354 8075 1 12 . 1 1 68 68 TYR HA H 68 3.632 3.632 3.222 0.410 19354 8076 1 12 . 1 1 68 68 TYR C C 68 177.915 177.915 177.728 0.187 19354 8077 1 12 . 1 1 68 68 TYR CA C 68 61.395 61.395 61.434 -0.039 19354 8078 1 12 . 1 1 68 68 TYR CB C 68 37.345 37.345 37.161 0.184 19354 8079 1 12 . 1 1 68 68 TYR H H 68 7.558 7.558 8.337 -0.779 19354 8080 1 12 . 1 1 69 69 ALA N N 69 120.715 120.715 122.047 -1.332 19354 8081 1 12 . 1 1 69 69 ALA HA H 69 3.935 3.935 3.880 0.055 19354 8082 1 12 . 1 1 69 69 ALA C C 69 179.390 179.390 179.006 0.384 19354 8083 1 12 . 1 1 69 69 ALA CA C 69 54.015 54.015 54.678 -0.663 19354 8084 1 12 . 1 1 69 69 ALA CB C 69 18.529 18.529 18.059 0.470 19354 8085 1 12 . 1 1 69 69 ALA H H 69 7.453 7.453 7.750 -0.297 19354 8086 1 12 . 1 1 70 70 LEU N N 70 117.212 117.212 119.270 -2.058 19354 8087 1 12 . 1 1 70 70 LEU HA H 70 3.765 3.765 4.014 -0.249 19354 8088 1 12 . 1 1 70 70 LEU C C 70 177.280 177.280 178.108 -0.828 19354 8089 1 12 . 1 1 70 70 LEU CA C 70 56.634 56.634 57.088 -0.454 19354 8090 1 12 . 1 1 70 70 LEU CB C 70 41.045 41.045 41.946 -0.901 19354 8091 1 12 . 1 1 70 70 LEU H H 70 7.764 7.764 8.224 -0.460 19354 8092 1 12 . 1 1 71 71 LYS N N 71 118.756 118.756 119.022 -0.266 19354 8093 1 12 . 1 1 71 71 LYS HA H 71 3.039 3.039 3.565 -0.526 19354 8094 1 12 . 1 1 71 71 LYS C C 71 177.121 177.121 177.853 -0.732 19354 8095 1 12 . 1 1 71 71 LYS CA C 71 58.865 58.865 58.779 0.086 19354 8096 1 12 . 1 1 71 71 LYS CB C 71 31.247 31.247 31.026 0.221 19354 8097 1 12 . 1 1 71 71 LYS H H 71 7.001 7.001 7.970 -0.969 19354 8098 1 12 . 1 1 72 72 HIS N N 72 113.331 113.331 117.706 -4.375 19354 8099 1 12 . 1 1 72 72 HIS HA H 72 4.304 4.304 4.274 0.030 19354 8100 1 12 . 1 1 72 72 HIS C C 72 174.232 174.232 175.933 -1.701 19354 8101 1 12 . 1 1 72 72 HIS CA C 72 57.245 57.245 57.888 -0.643 19354 8102 1 12 . 1 1 72 72 HIS CB C 72 30.221 30.221 30.319 -0.098 19354 8103 1 12 . 1 1 72 72 HIS H H 72 6.973 6.973 7.629 -0.656 19354 8104 1 12 . 1 1 73 73 VAL N N 73 121.486 121.486 119.983 1.503 19354 8105 1 12 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.497 0.034 19354 8106 1 12 . 1 1 73 73 VAL CA C 73 59.159 59.159 59.409 -0.250 19354 8107 1 12 . 1 1 73 73 VAL CB C 73 30.604 30.604 32.905 -2.301 19354 8108 1 12 . 1 1 73 73 VAL H H 73 7.821 7.821 8.119 -0.298 19354 8109 1 12 . 1 1 74 74 PRO HA H 74 4.070 4.070 4.537 -0.467 19354 8110 1 12 . 1 1 74 74 PRO CA C 74 66.637 66.637 65.503 1.134 19354 8111 1 12 . 1 1 74 74 PRO CB C 74 32.212 32.212 32.234 -0.022 19354 8112 1 12 . 1 1 75 75 LYS N N 75 116.832 116.832 119.670 -2.838 19354 8113 1 12 . 1 1 75 75 LYS HA H 75 4.099 4.099 4.100 -0.001 19354 8114 1 12 . 1 1 75 75 LYS C C 75 180.048 180.048 177.697 2.351 19354 8115 1 12 . 1 1 75 75 LYS CA C 75 59.398 59.398 58.798 0.600 19354 8116 1 12 . 1 1 75 75 LYS CB C 75 31.296 31.296 31.124 0.172 19354 8117 1 12 . 1 1 75 75 LYS H H 75 9.234 9.234 8.708 0.526 19354 8118 1 12 . 1 1 76 76 CYS N N 76 116.333 116.333 115.701 0.632 19354 8119 1 12 . 1 1 76 76 CYS HA H 76 4.320 4.320 4.638 -0.318 19354 8120 1 12 . 1 1 76 76 CYS C C 76 175.012 175.012 176.835 -1.823 19354 8121 1 12 . 1 1 76 76 CYS CA C 76 58.297 58.297 60.036 -1.739 19354 8122 1 12 . 1 1 76 76 CYS CB C 76 38.803 38.803 26.810 11.993 19354 8123 1 12 . 1 1 76 76 CYS H H 76 7.496 7.496 8.059 -0.563 19354 8124 1 12 . 1 1 77 77 TRP N N 77 119.987 119.987 123.746 -3.759 19354 8125 1 12 . 1 1 77 77 TRP HA H 77 4.452 4.452 4.200 0.252 19354 8126 1 12 . 1 1 77 77 TRP C C 77 177.462 177.462 177.866 -0.404 19354 8127 1 12 . 1 1 77 77 TRP CA C 77 58.821 58.821 59.912 -1.091 19354 8128 1 12 . 1 1 77 77 TRP CB C 77 30.425 30.425 29.302 1.123 19354 8129 1 12 . 1 1 77 77 TRP H H 77 8.254 8.254 8.399 -0.145 19354 8130 1 12 . 1 1 78 78 ALA N N 78 116.093 116.093 118.998 -2.905 19354 8131 1 12 . 1 1 78 78 ALA HA H 78 3.736 3.736 3.614 0.122 19354 8132 1 12 . 1 1 78 78 ALA C C 78 178.845 178.845 178.671 0.174 19354 8133 1 12 . 1 1 78 78 ALA CA C 78 54.188 54.188 53.740 0.447 19354 8134 1 12 . 1 1 78 78 ALA CB C 78 18.323 18.323 17.786 0.537 19354 8135 1 12 . 1 1 78 78 ALA H H 78 7.968 7.968 8.093 -0.125 19354 8136 1 12 . 1 1 79 79 ALA N N 79 116.351 116.351 120.900 -4.549 19354 8137 1 12 . 1 1 79 79 ALA HA H 79 4.147 4.147 4.163 -0.016 19354 8138 1 12 . 1 1 79 79 ALA C C 79 178.414 178.414 177.879 0.535 19354 8139 1 12 . 1 1 79 79 ALA CA C 79 53.243 53.243 54.059 -0.816 19354 8140 1 12 . 1 1 79 79 ALA CB C 79 19.832 19.832 19.227 0.605 19354 8141 1 12 . 1 1 79 79 ALA H H 79 6.929 6.929 7.424 -0.495 19354 8142 1 12 . 1 1 80 80 ILE N N 80 115.150 115.150 117.250 -2.100 19354 8143 1 12 . 1 1 80 80 ILE HA H 80 4.218 4.218 4.155 0.063 19354 8144 1 12 . 1 1 80 80 ILE C C 80 176.350 176.350 176.244 0.106 19354 8145 1 12 . 1 1 80 80 ILE CA C 80 62.069 62.069 59.995 2.074 19354 8146 1 12 . 1 1 80 80 ILE CB C 80 39.375 39.375 37.975 1.400 19354 8147 1 12 . 1 1 80 80 ILE H H 80 8.695 8.695 7.554 1.141 19354 8148 1 12 . 1 1 81 81 GLN N N 81 122.564 122.564 121.454 1.110 19354 8149 1 12 . 1 1 81 81 GLN HA H 81 3.332 3.332 3.906 -0.574 19354 8150 1 12 . 1 1 81 81 GLN C C 81 173.470 173.470 175.178 -1.708 19354 8151 1 12 . 1 1 81 81 GLN CA C 81 61.829 61.829 61.088 0.741 19354 8152 1 12 . 1 1 81 81 GLN CB C 81 25.973 25.973 26.959 -0.986 19354 8153 1 12 . 1 1 81 81 GLN H H 81 7.315 7.315 7.321 -0.006 19354 8154 1 12 . 1 1 82 82 PRO HA H 82 4.076 4.076 4.200 -0.124 19354 8155 1 12 . 1 1 82 82 PRO CA C 82 65.894 65.894 64.733 1.161 19354 8156 1 12 . 1 1 82 82 PRO CB C 82 30.481 30.481 31.511 -1.030 19354 8157 1 12 . 1 1 83 83 PHE N N 83 119.137 119.137 118.916 0.221 19354 8158 1 12 . 1 1 83 83 PHE HA H 83 4.289 4.289 4.329 -0.040 19354 8159 1 12 . 1 1 83 83 PHE C C 83 175.919 175.919 175.997 -0.078 19354 8160 1 12 . 1 1 83 83 PHE CA C 83 59.712 59.712 56.984 2.728 19354 8161 1 12 . 1 1 83 83 PHE CB C 83 39.329 39.329 38.825 0.504 19354 8162 1 12 . 1 1 83 83 PHE H H 83 6.892 6.892 7.843 -0.951 19354 8163 1 12 . 1 1 84 84 LEU N N 84 116.693 116.693 119.733 -3.040 19354 8164 1 12 . 1 1 84 84 LEU HA H 84 3.611 3.611 3.275 0.336 19354 8165 1 12 . 1 1 84 84 LEU C C 84 180.297 180.297 177.524 2.773 19354 8166 1 12 . 1 1 84 84 LEU CA C 84 57.952 57.952 57.397 0.555 19354 8167 1 12 . 1 1 84 84 LEU CB C 84 41.645 41.645 40.599 1.046 19354 8168 1 12 . 1 1 84 84 LEU H H 84 8.589 8.589 7.776 0.813 19354 8169 1 12 . 1 1 85 85 CYS N N 85 115.085 115.085 115.355 -0.270 19354 8170 1 12 . 1 1 85 85 CYS HA H 85 4.127 4.127 4.309 -0.182 19354 8171 1 12 . 1 1 85 85 CYS C C 85 175.556 175.556 176.172 -0.616 19354 8172 1 12 . 1 1 85 85 CYS CA C 85 57.678 57.678 60.499 -2.821 19354 8173 1 12 . 1 1 85 85 CYS CB C 85 39.396 39.396 27.366 12.030 19354 8174 1 12 . 1 1 85 85 CYS H H 85 8.001 8.001 7.198 0.803 19354 8175 1 12 . 1 1 86 86 ALA N N 86 121.743 121.743 121.443 0.300 19354 8176 1 12 . 1 1 86 86 ALA HA H 86 3.922 3.922 4.207 -0.285 19354 8177 1 12 . 1 1 86 86 ALA C C 86 177.745 177.745 177.256 0.489 19354 8178 1 12 . 1 1 86 86 ALA CA C 86 54.306 54.306 53.735 0.571 19354 8179 1 12 . 1 1 86 86 ALA CB C 86 18.778 18.778 18.072 0.706 19354 8180 1 12 . 1 1 86 86 ALA H H 86 7.671 7.671 7.567 0.104 19354 8181 1 12 . 1 1 87 87 VAL N N 87 115.667 115.667 114.777 0.890 19354 8182 1 12 . 1 1 87 87 VAL HA H 87 3.735 3.735 3.438 0.297 19354 8183 1 12 . 1 1 87 87 VAL C C 87 175.806 175.806 175.122 0.684 19354 8184 1 12 . 1 1 87 87 VAL CA C 87 64.622 64.622 62.976 1.646 19354 8185 1 12 . 1 1 87 87 VAL CB C 87 32.936 32.936 31.531 1.405 19354 8186 1 12 . 1 1 87 87 VAL H H 87 7.460 7.460 7.114 0.346 19354 8187 1 12 . 1 1 88 88 PHE N N 88 115.306 115.306 117.312 -2.006 19354 8188 1 12 . 1 1 88 88 PHE HA H 88 4.048 4.048 4.769 -0.721 19354 8189 1 12 . 1 1 88 88 PHE C C 88 176.192 176.192 175.424 0.768 19354 8190 1 12 . 1 1 88 88 PHE CA C 88 60.420 60.420 58.693 1.728 19354 8191 1 12 . 1 1 88 88 PHE CB C 88 40.182 40.182 40.355 -0.173 19354 8192 1 12 . 1 1 88 88 PHE H H 88 8.930 8.930 7.072 1.858 19354 8193 1 12 . 1 1 89 89 LYS N N 89 115.470 115.470 119.104 -3.634 19354 8194 1 12 . 1 1 89 89 LYS HA H 89 4.816 4.816 4.794 0.022 19354 8195 1 12 . 1 1 89 89 LYS C C 89 184.176 184.176 174.152 10.024 19354 8196 1 12 . 1 1 89 89 LYS CA C 89 53.428 53.428 53.776 -0.348 19354 8197 1 12 . 1 1 89 89 LYS CB C 89 33.274 33.274 32.819 0.455 19354 8198 1 12 . 1 1 89 89 LYS H H 89 7.802 7.802 7.683 0.119 19354 8199 1 12 . 1 1 90 90 PRO HA H 90 4.250 4.250 4.327 -0.077 19354 8200 1 12 . 1 1 90 90 PRO CA C 90 62.682 62.682 62.301 0.381 19354 8201 1 12 . 1 1 90 90 PRO CB C 90 32.358 32.358 32.558 -0.200 19354 8202 1 12 . 1 1 91 91 LYS N N 91 122.391 122.391 120.210 2.181 19354 8203 1 12 . 1 1 91 91 LYS HA H 91 3.039 3.039 2.358 0.681 19354 8204 1 12 . 1 1 91 91 LYS C C 91 173.356 173.356 175.006 -1.650 19354 8205 1 12 . 1 1 91 91 LYS CA C 91 58.027 58.027 55.861 2.166 19354 8206 1 12 . 1 1 91 91 LYS CB C 91 31.285 31.285 32.113 -0.828 19354 8207 1 12 . 1 1 91 91 LYS H H 91 8.537 8.537 8.186 0.351 19354 8208 1 12 . 1 1 92 92 CYS N N 92 127.562 127.562 127.541 0.021 19354 8209 1 12 . 1 1 92 92 CYS HA H 92 5.391 5.391 5.033 0.358 19354 8210 1 12 . 1 1 92 92 CYS C C 92 171.655 171.655 173.390 -1.735 19354 8211 1 12 . 1 1 92 92 CYS CA C 92 53.804 53.804 57.861 -4.057 19354 8212 1 12 . 1 1 92 92 CYS CB C 92 41.219 41.219 28.005 13.214 19354 8213 1 12 . 1 1 92 92 CYS H H 92 7.037 7.037 8.327 -1.290 19354 8214 1 12 . 1 1 93 93 GLU N N 93 124.483 124.483 126.771 -2.288 19354 8215 1 12 . 1 1 93 93 GLU HA H 93 4.492 4.492 4.736 -0.244 19354 8216 1 12 . 1 1 93 93 GLU C C 93 173.371 173.371 175.167 -1.796 19354 8217 1 12 . 1 1 93 93 GLU CA C 93 54.874 54.874 54.004 0.870 19354 8218 1 12 . 1 1 93 93 GLU CB C 93 34.630 34.630 33.730 0.900 19354 8219 1 12 . 1 1 93 93 GLU H H 93 9.401 9.401 8.079 1.322 19354 8220 1 12 . 1 1 94 94 LYS N N 94 122.694 122.694 120.834 1.860 19354 8221 1 12 . 1 1 94 94 LYS HA H 94 4.581 4.581 4.750 -0.169 19354 8222 1 12 . 1 1 94 94 LYS C C 94 176.509 176.509 176.639 -0.130 19354 8223 1 12 . 1 1 94 94 LYS CA C 94 55.856 55.856 55.458 0.398 19354 8224 1 12 . 1 1 94 94 LYS CB C 94 31.809 31.809 32.987 -1.178 19354 8225 1 12 . 1 1 94 94 LYS H H 94 8.526 8.526 8.542 -0.016 19354 8226 1 12 . 1 1 95 95 ILE N N 95 128.382 128.382 127.030 1.352 19354 8227 1 12 . 1 1 95 95 ILE HA H 95 4.049 4.049 4.129 -0.080 19354 8228 1 12 . 1 1 95 95 ILE C C 95 176.337 176.337 175.878 0.459 19354 8229 1 12 . 1 1 95 95 ILE CA C 95 60.847 60.847 60.503 0.344 19354 8230 1 12 . 1 1 95 95 ILE CB C 95 39.625 39.625 38.051 1.574 19354 8231 1 12 . 1 1 95 95 ILE H H 95 9.001 9.001 8.604 0.397 19354 8232 1 12 . 1 1 96 96 ASN N N 96 127.596 127.596 127.622 -0.026 19354 8233 1 12 . 1 1 96 96 ASN HA H 96 4.212 4.212 4.407 -0.195 19354 8234 1 12 . 1 1 96 96 ASN C C 96 175.496 175.496 175.141 0.355 19354 8235 1 12 . 1 1 96 96 ASN CA C 96 53.970 53.970 53.551 0.419 19354 8236 1 12 . 1 1 96 96 ASN CB C 96 37.238 37.238 38.031 -0.793 19354 8237 1 12 . 1 1 96 96 ASN H H 96 9.474 9.474 9.357 0.117 19354 8238 1 12 . 1 1 97 97 GLY N N 97 101.656 101.656 102.899 -1.243 19354 8239 1 12 . 1 1 97 97 GLY C C 97 173.651 173.651 173.652 -0.001 19354 8240 1 12 . 1 1 97 97 GLY CA C 97 45.167 45.167 44.907 0.259 19354 8241 1 12 . 1 1 97 97 GLY H H 97 8.476 8.476 8.232 0.244 19354 8242 1 12 . 1 1 98 98 GLU N N 98 120.042 120.042 120.827 -0.785 19354 8243 1 12 . 1 1 98 98 GLU HA H 98 4.587 4.587 4.484 0.103 19354 8244 1 12 . 1 1 98 98 GLU C C 98 174.422 174.422 175.021 -0.599 19354 8245 1 12 . 1 1 98 98 GLU CA C 98 54.294 54.294 54.462 -0.168 19354 8246 1 12 . 1 1 98 98 GLU CB C 98 32.934 32.934 31.769 1.165 19354 8247 1 12 . 1 1 98 98 GLU H H 98 7.591 7.591 7.643 -0.052 19354 8248 1 12 . 1 1 99 99 ASP N N 99 126.603 126.603 127.676 -1.073 19354 8249 1 12 . 1 1 99 99 ASP HA H 99 4.340 4.340 4.532 -0.192 19354 8250 1 12 . 1 1 99 99 ASP C C 99 176.214 176.214 175.740 0.474 19354 8251 1 12 . 1 1 99 99 ASP CA C 99 55.408 55.408 56.049 -0.641 19354 8252 1 12 . 1 1 99 99 ASP CB C 99 41.629 41.629 40.383 1.246 19354 8253 1 12 . 1 1 99 99 ASP H H 99 8.489 8.489 8.760 -0.271 19354 8254 1 12 . 1 1 100 100 MET N N 100 121.977 121.977 122.028 -0.051 19354 8255 1 12 . 1 1 100 100 MET HA H 100 4.911 4.911 5.264 -0.353 19354 8256 1 12 . 1 1 100 100 MET C C 100 172.900 172.900 175.101 -2.201 19354 8257 1 12 . 1 1 100 100 MET CA C 100 53.649 53.649 53.704 -0.055 19354 8258 1 12 . 1 1 100 100 MET CB C 100 35.529 35.529 36.724 -1.195 19354 8259 1 12 . 1 1 100 100 MET H H 100 8.853 8.853 8.747 0.106 19354 8260 1 12 . 1 1 101 101 VAL N N 101 119.963 119.963 111.803 8.160 19354 8261 1 12 . 1 1 101 101 VAL HA H 101 4.814 4.814 4.495 0.319 19354 8262 1 12 . 1 1 101 101 VAL C C 101 172.991 172.991 173.583 -0.592 19354 8263 1 12 . 1 1 101 101 VAL CA C 101 58.203 58.203 59.947 -1.744 19354 8264 1 12 . 1 1 101 101 VAL CB C 101 34.629 34.629 35.086 -0.457 19354 8265 1 12 . 1 1 101 101 VAL H H 101 8.964 8.964 8.146 0.818 19354 8266 1 12 . 1 1 102 102 TYR N N 102 125.849 125.849 122.872 2.977 19354 8267 1 12 . 1 1 102 102 TYR HA H 102 4.444 4.444 4.831 -0.387 19354 8268 1 12 . 1 1 102 102 TYR C C 102 176.464 176.464 176.014 0.450 19354 8269 1 12 . 1 1 102 102 TYR CA C 102 57.549 57.549 57.682 -0.133 19354 8270 1 12 . 1 1 102 102 TYR CB C 102 38.274 38.274 40.019 -1.745 19354 8271 1 12 . 1 1 102 102 TYR H H 102 8.137 8.137 8.306 -0.169 19354 8272 1 12 . 1 1 103 103 LEU N N 103 123.151 123.151 122.108 1.043 19354 8273 1 12 . 1 1 103 103 LEU HA H 103 4.683 4.683 4.969 -0.286 19354 8274 1 12 . 1 1 103 103 LEU CA C 103 52.426 52.426 51.205 1.221 19354 8275 1 12 . 1 1 103 103 LEU CB C 103 42.038 42.038 41.923 0.115 19354 8276 1 12 . 1 1 103 103 LEU H H 103 8.308 8.308 7.990 0.318 19354 8277 1 12 . 1 1 104 104 PRO HA H 104 4.678 4.678 4.508 0.170 19354 8278 1 12 . 1 1 104 104 PRO CA C 104 61.704 61.704 62.767 -1.063 19354 8279 1 12 . 1 1 104 104 PRO CB C 104 32.020 32.020 32.033 -0.013 19354 8280 1 12 . 1 1 105 105 SER N N 105 113.955 113.955 116.330 -2.375 19354 8281 1 12 . 1 1 105 105 SER HA H 105 4.632 4.632 4.645 -0.013 19354 8282 1 12 . 1 1 105 105 SER C C 105 175.473 175.473 175.867 -0.394 19354 8283 1 12 . 1 1 105 105 SER CA C 105 56.324 56.324 56.907 -0.583 19354 8284 1 12 . 1 1 105 105 SER CB C 105 65.193 65.193 65.308 -0.116 19354 8285 1 12 . 1 1 105 105 SER H H 105 7.668 7.668 8.107 -0.439 19354 8286 1 12 . 1 1 106 106 TYR N N 106 122.582 122.582 120.138 2.444 19354 8287 1 12 . 1 1 106 106 TYR HA H 106 3.724 3.724 4.067 -0.343 19354 8288 1 12 . 1 1 106 106 TYR C C 106 178.116 178.116 177.503 0.613 19354 8289 1 12 . 1 1 106 106 TYR CA C 106 62.057 62.057 60.443 1.614 19354 8290 1 12 . 1 1 106 106 TYR CB C 106 37.925 37.925 37.508 0.417 19354 8291 1 12 . 1 1 106 106 TYR H H 106 8.492 8.492 9.155 -0.663 19354 8292 1 12 . 1 1 107 107 GLU N N 107 118.362 118.362 119.447 -1.085 19354 8293 1 12 . 1 1 107 107 GLU HA H 107 3.846 3.846 3.538 0.308 19354 8294 1 12 . 1 1 107 107 GLU C C 107 177.421 177.421 178.676 -1.255 19354 8295 1 12 . 1 1 107 107 GLU CA C 107 58.867 58.867 59.293 -0.426 19354 8296 1 12 . 1 1 107 107 GLU CB C 107 28.969 28.969 28.852 0.117 19354 8297 1 12 . 1 1 107 107 GLU H H 107 8.503 8.503 8.017 0.486 19354 8298 1 12 . 1 1 108 108 MET N N 108 116.221 116.221 117.753 -1.532 19354 8299 1 12 . 1 1 108 108 MET HA H 108 3.708 3.708 3.952 -0.244 19354 8300 1 12 . 1 1 108 108 MET C C 108 176.804 176.804 178.033 -1.229 19354 8301 1 12 . 1 1 108 108 MET CA C 108 58.648 58.648 58.191 0.456 19354 8302 1 12 . 1 1 108 108 MET CB C 108 33.058 33.058 31.470 1.589 19354 8303 1 12 . 1 1 108 108 MET H H 108 7.409 7.409 7.817 -0.408 19354 8304 1 12 . 1 1 109 109 CYS N N 109 114.131 114.131 116.160 -2.029 19354 8305 1 12 . 1 1 109 109 CYS HA H 109 3.857 3.857 3.800 0.057 19354 8306 1 12 . 1 1 109 109 CYS C C 109 178.047 178.047 177.262 0.785 19354 8307 1 12 . 1 1 109 109 CYS CA C 109 58.737 58.737 60.678 -1.941 19354 8308 1 12 . 1 1 109 109 CYS CB C 109 35.006 35.006 26.029 8.977 19354 8309 1 12 . 1 1 109 109 CYS H H 109 6.817 6.817 7.714 -0.897 19354 8310 1 12 . 1 1 110 110 ARG N N 110 124.629 124.629 121.687 2.942 19354 8311 1 12 . 1 1 110 110 ARG HA H 110 3.376 3.376 4.027 -0.651 19354 8312 1 12 . 1 1 110 110 ARG C C 110 179.435 179.435 177.916 1.519 19354 8313 1 12 . 1 1 110 110 ARG CA C 110 59.641 59.641 58.925 0.716 19354 8314 1 12 . 1 1 110 110 ARG CB C 110 29.273 29.273 29.599 -0.326 19354 8315 1 12 . 1 1 110 110 ARG H H 110 8.885 8.885 7.747 1.138 19354 8316 1 12 . 1 1 111 111 ILE N N 111 113.379 113.379 116.532 -3.153 19354 8317 1 12 . 1 1 111 111 ILE HA H 111 3.796 3.796 3.793 0.003 19354 8318 1 12 . 1 1 111 111 ILE C C 111 175.624 175.624 176.953 -1.329 19354 8319 1 12 . 1 1 111 111 ILE CA C 111 63.811 63.811 63.679 0.132 19354 8320 1 12 . 1 1 111 111 ILE CB C 111 38.229 38.229 36.846 1.383 19354 8321 1 12 . 1 1 111 111 ILE H H 111 7.422 7.422 7.842 -0.420 19354 8322 1 12 . 1 1 112 112 THR N N 112 109.403 109.403 109.411 -0.008 19354 8323 1 12 . 1 1 112 112 THR HA H 112 3.889 3.889 4.209 -0.320 19354 8324 1 12 . 1 1 112 112 THR C C 112 175.798 175.798 175.941 -0.143 19354 8325 1 12 . 1 1 112 112 THR CA C 112 62.856 62.856 64.451 -1.595 19354 8326 1 12 . 1 1 112 112 THR CB C 112 70.168 70.168 69.170 0.998 19354 8327 1 12 . 1 1 112 112 THR H H 112 7.574 7.574 7.372 0.202 19354 8328 1 12 . 1 1 113 113 MET N N 113 119.638 119.638 121.894 -2.256 19354 8329 1 12 . 1 1 113 113 MET HA H 113 3.541 3.541 4.414 -0.873 19354 8330 1 12 . 1 1 113 113 MET C C 113 177.174 177.174 177.982 -0.808 19354 8331 1 12 . 1 1 113 113 MET CA C 113 60.235 60.235 59.312 0.923 19354 8332 1 12 . 1 1 113 113 MET CB C 113 32.338 32.338 32.507 -0.169 19354 8333 1 12 . 1 1 113 113 MET H H 113 7.152 7.152 7.725 -0.573 19354 8334 1 12 . 1 1 114 114 GLU N N 114 117.224 117.224 119.773 -2.549 19354 8335 1 12 . 1 1 114 114 GLU HA H 114 4.114 4.114 4.100 0.014 19354 8336 1 12 . 1 1 114 114 GLU CA C 114 60.422 60.422 60.856 -0.434 19354 8337 1 12 . 1 1 114 114 GLU CB C 114 26.103 26.103 28.475 -2.372 19354 8338 1 12 . 1 1 114 114 GLU H H 114 8.580 8.580 7.812 0.768 19354 8339 1 12 . 1 1 115 115 PRO HA H 115 4.304 4.304 4.376 -0.072 19354 8340 1 12 . 1 1 115 115 PRO CA C 115 65.128 65.128 63.913 1.215 19354 8341 1 12 . 1 1 115 115 PRO CB C 115 31.141 31.141 31.960 -0.819 19354 8342 1 12 . 1 1 116 116 CYS N N 116 111.879 111.879 121.297 -9.418 19354 8343 1 12 . 1 1 116 116 CYS HA H 116 4.679 4.679 4.818 -0.139 19354 8344 1 12 . 1 1 116 116 CYS C C 116 174.808 174.808 175.964 -1.156 19354 8345 1 12 . 1 1 116 116 CYS CA C 116 54.060 54.060 57.596 -3.536 19354 8346 1 12 . 1 1 116 116 CYS CB C 116 42.879 42.879 25.930 16.949 19354 8347 1 12 . 1 1 116 116 CYS H H 116 7.208 7.208 8.052 -0.844 19354 8348 1 12 . 1 1 117 117 ARG N N 117 123.750 123.750 125.251 -1.501 19354 8349 1 12 . 1 1 117 117 ARG HA H 117 3.161 3.161 4.236 -1.075 19354 8350 1 12 . 1 1 117 117 ARG C C 117 178.210 178.210 176.574 1.636 19354 8351 1 12 . 1 1 117 117 ARG CA C 117 59.743 59.743 59.230 0.513 19354 8352 1 12 . 1 1 117 117 ARG CB C 117 29.486 29.486 30.477 -0.991 19354 8353 1 12 . 1 1 117 117 ARG H H 117 7.436 7.436 8.316 -0.880 19354 8354 1 12 . 1 1 118 118 ILE N N 118 116.384 116.384 117.631 -1.247 19354 8355 1 12 . 1 1 118 118 ILE HA H 118 4.000 4.000 3.613 0.387 19354 8356 1 12 . 1 1 118 118 ILE C C 118 176.577 176.577 176.095 0.482 19354 8357 1 12 . 1 1 118 118 ILE CA C 118 63.166 63.166 61.313 1.853 19354 8358 1 12 . 1 1 118 118 ILE CB C 118 37.781 37.781 36.591 1.190 19354 8359 1 12 . 1 1 118 118 ILE H H 118 8.130 8.130 7.973 0.157 19354 8360 1 12 . 1 1 119 119 LEU N N 119 119.738 119.738 119.913 -0.175 19354 8361 1 12 . 1 1 119 119 LEU HA H 119 4.540 4.540 4.261 0.279 19354 8362 1 12 . 1 1 119 119 LEU C C 119 178.346 178.346 177.187 1.159 19354 8363 1 12 . 1 1 119 119 LEU CA C 119 54.697 54.697 53.588 1.109 19354 8364 1 12 . 1 1 119 119 LEU CB C 119 42.872 42.872 39.733 3.139 19354 8365 1 12 . 1 1 119 119 LEU H H 119 7.771 7.771 7.372 0.399 19354 8366 1 12 . 1 1 120 120 TYR N N 120 121.945 121.945 116.848 5.097 19354 8367 1 12 . 1 1 120 120 TYR HA H 120 4.125 4.125 4.171 -0.046 19354 8368 1 12 . 1 1 120 120 TYR C C 120 176.169 176.169 176.426 -0.257 19354 8369 1 12 . 1 1 120 120 TYR CA C 120 59.682 59.682 59.157 0.525 19354 8370 1 12 . 1 1 120 120 TYR CB C 120 37.180 37.180 37.878 -0.698 19354 8371 1 12 . 1 1 120 120 TYR H H 120 7.886 7.886 6.740 1.146 19354 8372 1 12 . 1 1 121 121 ASN N N 121 115.992 115.992 110.924 5.068 19354 8373 1 12 . 1 1 121 121 ASN HA H 121 4.885 4.885 4.874 0.011 19354 8374 1 12 . 1 1 121 121 ASN C C 121 175.612 175.612 174.782 0.830 19354 8375 1 12 . 1 1 121 121 ASN CA C 121 52.670 52.670 52.980 -0.310 19354 8376 1 12 . 1 1 121 121 ASN CB C 121 38.058 38.058 41.165 -3.107 19354 8377 1 12 . 1 1 121 121 ASN H H 121 8.228 8.228 8.547 -0.319 19354 8378 1 12 . 1 1 122 122 THR N N 122 109.094 109.094 114.289 -5.195 19354 8379 1 12 . 1 1 122 122 THR HA H 122 4.682 4.682 4.894 -0.212 19354 8380 1 12 . 1 1 122 122 THR C C 122 175.844 175.844 173.241 2.603 19354 8381 1 12 . 1 1 122 122 THR CA C 122 61.815 61.815 61.901 -0.086 19354 8382 1 12 . 1 1 122 122 THR CB C 122 72.484 72.484 71.444 1.040 19354 8383 1 12 . 1 1 122 122 THR H H 122 7.649 7.649 8.243 -0.594 19354 8384 1 12 . 1 1 123 123 THR N N 123 112.067 112.067 115.985 -3.918 19354 8385 1 12 . 1 1 123 123 THR HA H 123 4.026 4.026 4.517 -0.491 19354 8386 1 12 . 1 1 123 123 THR C C 123 175.033 175.033 174.442 0.591 19354 8387 1 12 . 1 1 123 123 THR CA C 123 63.174 63.174 63.345 -0.171 19354 8388 1 12 . 1 1 123 123 THR CB C 123 68.529 68.529 69.810 -1.281 19354 8389 1 12 . 1 1 123 123 THR H H 123 8.261 8.261 8.599 -0.338 19354 8390 1 12 . 1 1 124 124 PHE N N 124 118.139 118.139 120.806 -2.667 19354 8391 1 12 . 1 1 124 124 PHE HA H 124 4.153 4.153 4.642 -0.489 19354 8392 1 12 . 1 1 124 124 PHE C C 124 175.398 175.398 175.977 -0.579 19354 8393 1 12 . 1 1 124 124 PHE CA C 124 59.890 59.890 59.580 0.310 19354 8394 1 12 . 1 1 124 124 PHE CB C 124 39.668 39.668 39.874 -0.206 19354 8395 1 12 . 1 1 124 124 PHE H H 124 7.764 7.764 8.262 -0.498 19354 8396 1 12 . 1 1 125 125 PHE N N 125 118.447 118.447 115.458 2.989 19354 8397 1 12 . 1 1 125 125 PHE HA H 125 4.662 4.662 4.926 -0.264 19354 8398 1 12 . 1 1 125 125 PHE CA C 125 56.245 56.245 56.162 0.083 19354 8399 1 12 . 1 1 125 125 PHE CB C 125 38.810 38.810 40.379 -1.569 19354 8400 1 12 . 1 1 125 125 PHE H H 125 7.670 7.670 8.090 -0.420 19354 8401 1 12 . 1 1 126 126 PRO HA H 126 4.398 4.398 4.345 0.053 19354 8402 1 12 . 1 1 126 126 PRO CA C 126 62.432 62.432 64.937 -2.505 19354 8403 1 12 . 1 1 126 126 PRO CB C 126 32.670 32.670 32.456 0.214 19354 8404 1 12 . 1 1 127 127 LYS N N 127 118.753 118.753 118.385 0.368 19354 8405 1 12 . 1 1 127 127 LYS HA H 127 3.580 3.580 4.083 -0.503 19354 8406 1 12 . 1 1 127 127 LYS C C 127 177.977 177.977 178.410 -0.433 19354 8407 1 12 . 1 1 127 127 LYS CA C 127 60.279 60.279 58.856 1.423 19354 8408 1 12 . 1 1 127 127 LYS CB C 127 31.599 31.599 31.171 0.428 19354 8409 1 12 . 1 1 127 127 LYS H H 127 8.565 8.565 8.391 0.174 19354 8410 1 12 . 1 1 128 128 PHE N N 128 110.638 110.638 117.914 -7.276 19354 8411 1 12 . 1 1 128 128 PHE HA H 128 4.481 4.481 4.652 -0.171 19354 8412 1 12 . 1 1 128 128 PHE C C 128 173.946 173.946 175.687 -1.741 19354 8413 1 12 . 1 1 128 128 PHE CA C 128 57.841 57.841 59.369 -1.528 19354 8414 1 12 . 1 1 128 128 PHE CB C 128 36.807 36.807 39.008 -2.201 19354 8415 1 12 . 1 1 128 128 PHE H H 128 6.795 6.795 8.285 -1.490 19354 8416 1 12 . 1 1 129 129 LEU N N 129 119.653 119.653 119.013 0.640 19354 8417 1 12 . 1 1 129 129 LEU HA H 129 4.710 4.710 3.626 1.084 19354 8418 1 12 . 1 1 129 129 LEU C C 129 175.398 175.398 176.962 -1.564 19354 8419 1 12 . 1 1 129 129 LEU CA C 129 53.169 53.169 55.472 -2.303 19354 8420 1 12 . 1 1 129 129 LEU CB C 129 44.901 44.901 42.422 2.479 19354 8421 1 12 . 1 1 129 129 LEU H H 129 7.204 7.204 7.360 -0.156 19354 8422 1 12 . 1 1 130 130 ARG N N 130 116.807 116.807 116.097 0.710 19354 8423 1 12 . 1 1 130 130 ARG HA H 130 4.328 4.328 4.009 0.319 19354 8424 1 12 . 1 1 130 130 ARG C C 130 177.099 177.099 175.291 1.808 19354 8425 1 12 . 1 1 130 130 ARG CA C 130 55.250 55.250 57.058 -1.808 19354 8426 1 12 . 1 1 130 130 ARG CB C 130 30.355 30.355 28.056 2.299 19354 8427 1 12 . 1 1 130 130 ARG H H 130 7.090 7.090 8.207 -1.117 19354 8428 1 12 . 1 1 131 131 CYS N N 131 117.271 117.271 116.523 0.748 19354 8429 1 12 . 1 1 131 131 CYS HA H 131 4.588 4.588 4.678 -0.090 19354 8430 1 12 . 1 1 131 131 CYS C C 131 175.022 175.022 173.484 1.538 19354 8431 1 12 . 1 1 131 131 CYS CA C 131 54.449 54.449 57.406 -2.957 19354 8432 1 12 . 1 1 131 131 CYS CB C 131 34.958 34.958 30.353 4.605 19354 8433 1 12 . 1 1 131 131 CYS H H 131 8.210 8.210 8.283 -0.073 19354 8434 1 12 . 1 1 132 132 ASN N N 132 120.232 120.232 122.396 -2.164 19354 8435 1 12 . 1 1 132 132 ASN HA H 132 4.811 4.811 4.902 -0.091 19354 8436 1 12 . 1 1 132 132 ASN C C 132 175.080 175.080 174.102 0.978 19354 8437 1 12 . 1 1 132 132 ASN CA C 132 53.188 53.188 52.693 0.495 19354 8438 1 12 . 1 1 132 132 ASN CB C 132 40.003 40.003 40.502 -0.499 19354 8439 1 12 . 1 1 132 132 ASN H H 132 7.801 7.801 8.450 -0.649 19354 8440 1 12 . 1 1 133 133 GLU N N 133 123.435 123.435 123.017 0.418 19354 8441 1 12 . 1 1 133 133 GLU HA H 133 4.225 4.225 4.359 -0.134 19354 8442 1 12 . 1 1 133 133 GLU C C 133 176.447 176.447 177.221 -0.774 19354 8443 1 12 . 1 1 133 133 GLU CA C 133 57.928 57.928 57.385 0.543 19354 8444 1 12 . 1 1 133 133 GLU CB C 133 29.822 29.822 31.020 -1.198 19354 8445 1 12 . 1 1 133 133 GLU H H 133 9.086 9.086 8.812 0.274 19354 8446 1 12 . 1 1 134 134 THR N N 134 113.403 113.403 114.893 -1.490 19354 8447 1 12 . 1 1 134 134 THR HA H 134 3.964 3.964 4.056 -0.092 19354 8448 1 12 . 1 1 134 134 THR C C 134 174.853 174.853 175.691 -0.838 19354 8449 1 12 . 1 1 134 134 THR CA C 134 63.694 63.694 63.991 -0.297 19354 8450 1 12 . 1 1 134 134 THR CB C 134 68.841 68.841 68.519 0.322 19354 8451 1 12 . 1 1 134 134 THR H H 134 8.067 8.067 8.277 -0.210 19354 8452 1 12 . 1 1 135 135 LEU N N 135 121.377 121.377 119.813 1.564 19354 8453 1 12 . 1 1 135 135 LEU HA H 135 3.964 3.964 4.367 -0.403 19354 8454 1 12 . 1 1 135 135 LEU C C 135 176.215 176.215 177.029 -0.814 19354 8455 1 12 . 1 1 135 135 LEU CA C 135 55.656 55.656 55.239 0.417 19354 8456 1 12 . 1 1 135 135 LEU CB C 135 42.291 42.291 42.461 -0.170 19354 8457 1 12 . 1 1 135 135 LEU H H 135 7.448 7.448 7.600 -0.152 19354 8458 1 12 . 1 1 136 136 PHE N N 136 117.704 117.704 119.285 -1.581 19354 8459 1 12 . 1 1 136 136 PHE HA H 136 5.202 5.202 4.960 0.242 19354 8460 1 12 . 1 1 136 136 PHE C C 136 179.412 179.412 173.946 5.466 19354 8461 1 12 . 1 1 136 136 PHE CA C 136 53.495 53.495 55.528 -2.033 19354 8462 1 12 . 1 1 136 136 PHE CB C 136 39.248 39.248 37.779 1.469 19354 8463 1 12 . 1 1 136 136 PHE H H 136 7.542 7.542 8.626 -1.084 19354 8464 1 12 . 1 1 137 137 PRO HA H 137 4.528 4.528 4.385 0.143 19354 8465 1 12 . 1 1 137 137 PRO CA C 137 62.949 62.949 62.713 0.236 19354 8466 1 12 . 1 1 137 137 PRO CB C 137 32.242 32.242 32.515 -0.273 19354 8467 1 12 . 1 1 138 138 THR N N 138 114.025 114.025 107.637 6.388 19354 8468 1 12 . 1 1 138 138 THR HA H 138 4.324 4.324 3.825 0.499 19354 8469 1 12 . 1 1 138 138 THR C C 138 174.175 174.175 173.916 0.259 19354 8470 1 12 . 1 1 138 138 THR CA C 138 61.863 61.863 61.665 0.198 19354 8471 1 12 . 1 1 138 138 THR CB C 138 69.742 69.742 68.930 0.812 19354 8472 1 12 . 1 1 138 138 THR H H 138 8.452 8.452 8.188 0.264 19354 8473 1 13 . 1 1 13 13 GLY N N 13 110.400 110.400 112.158 -1.758 19354 8474 1 13 . 1 1 13 13 GLY C C 13 173.560 173.560 172.744 0.816 19354 8475 1 13 . 1 1 13 13 GLY CA C 13 45.111 45.111 45.176 -0.065 19354 8476 1 13 . 1 1 13 13 GLY H H 13 8.335 8.335 7.995 0.340 19354 8477 1 13 . 1 1 14 14 LEU N N 14 121.222 121.222 125.364 -4.142 19354 8478 1 13 . 1 1 14 14 LEU HA H 14 4.378 4.378 4.603 -0.225 19354 8479 1 13 . 1 1 14 14 LEU C C 14 177.119 177.119 176.456 0.663 19354 8480 1 13 . 1 1 14 14 LEU CA C 14 54.838 54.838 55.728 -0.890 19354 8481 1 13 . 1 1 14 14 LEU CB C 14 42.429 42.429 43.413 -0.984 19354 8482 1 13 . 1 1 14 14 LEU H H 14 7.915 7.915 8.576 -0.661 19354 8483 1 13 . 1 1 15 15 VAL N N 15 123.222 123.222 119.612 3.610 19354 8484 1 13 . 1 1 15 15 VAL HA H 15 4.335 4.335 4.425 -0.090 19354 8485 1 13 . 1 1 15 15 VAL C C 15 175.602 175.602 173.672 1.930 19354 8486 1 13 . 1 1 15 15 VAL CA C 15 59.375 59.375 59.434 -0.059 19354 8487 1 13 . 1 1 15 15 VAL CB C 15 33.197 33.197 35.064 -1.867 19354 8488 1 13 . 1 1 15 15 VAL H H 15 8.297 8.297 8.176 0.121 19354 8489 1 13 . 1 1 16 16 PRO HA H 16 4.379 4.379 4.678 -0.299 19354 8490 1 13 . 1 1 16 16 PRO CA C 16 62.925 62.925 62.995 -0.070 19354 8491 1 13 . 1 1 16 16 PRO CB C 16 32.043 32.043 31.448 0.595 19354 8492 1 13 . 1 1 17 17 ARG N N 17 122.742 122.742 123.031 -0.289 19354 8493 1 13 . 1 1 17 17 ARG HA H 17 4.219 4.219 4.524 -0.305 19354 8494 1 13 . 1 1 17 17 ARG C C 17 176.586 176.586 176.164 0.422 19354 8495 1 13 . 1 1 17 17 ARG CA C 17 55.479 55.479 55.215 0.264 19354 8496 1 13 . 1 1 17 17 ARG CB C 17 30.889 30.889 32.695 -1.806 19354 8497 1 13 . 1 1 17 17 ARG H H 17 8.469 8.469 8.255 0.214 19354 8498 1 13 . 1 1 18 18 GLY N N 18 111.993 111.993 108.104 3.889 19354 8499 1 13 . 1 1 18 18 GLY C C 18 174.453 174.453 175.200 -0.747 19354 8500 1 13 . 1 1 18 18 GLY CA C 18 45.670 45.670 44.497 1.173 19354 8501 1 13 . 1 1 18 18 GLY H H 18 8.538 8.538 8.233 0.305 19354 8502 1 13 . 1 1 19 19 SER HA H 19 4.318 4.318 4.353 -0.035 19354 8503 1 13 . 1 1 19 19 SER CA C 19 58.480 58.480 60.267 -1.788 19354 8504 1 13 . 1 1 19 19 SER CB C 19 63.535 63.535 63.193 0.342 19354 8505 1 13 . 1 1 20 20 HIS N N 20 120.039 120.039 119.137 0.902 19354 8506 1 13 . 1 1 20 20 HIS HA H 20 4.678 4.678 4.698 -0.020 19354 8507 1 13 . 1 1 20 20 HIS C C 20 174.263 174.263 174.958 -0.695 19354 8508 1 13 . 1 1 20 20 HIS CA C 20 55.889 55.889 54.520 1.369 19354 8509 1 13 . 1 1 20 20 HIS CB C 20 32.027 32.027 27.363 4.664 19354 8510 1 13 . 1 1 20 20 HIS H H 20 8.344 8.344 7.918 0.426 19354 8511 1 13 . 1 1 21 21 MET N N 21 120.453 120.453 118.603 1.850 19354 8512 1 13 . 1 1 21 21 MET HA H 21 4.676 4.676 4.253 0.423 19354 8513 1 13 . 1 1 21 21 MET C C 21 174.808 174.808 174.906 -0.098 19354 8514 1 13 . 1 1 21 21 MET CA C 21 54.232 54.232 56.644 -2.412 19354 8515 1 13 . 1 1 21 21 MET CB C 21 32.377 32.377 33.679 -1.302 19354 8516 1 13 . 1 1 21 21 MET H H 21 8.587 8.587 7.924 0.663 19354 8517 1 13 . 1 1 22 22 VAL N N 22 112.794 112.794 115.747 -2.953 19354 8518 1 13 . 1 1 22 22 VAL HA H 22 5.297 5.297 4.689 0.608 19354 8519 1 13 . 1 1 22 22 VAL C C 22 175.218 175.218 174.198 1.020 19354 8520 1 13 . 1 1 22 22 VAL CA C 22 57.885 57.885 60.224 -2.338 19354 8521 1 13 . 1 1 22 22 VAL CB C 22 35.895 35.895 35.656 0.239 19354 8522 1 13 . 1 1 22 22 VAL H H 22 7.805 7.805 7.712 0.093 19354 8523 1 13 . 1 1 23 23 ARG N N 23 117.854 117.854 119.255 -1.401 19354 8524 1 13 . 1 1 23 23 ARG HA H 23 4.578 4.578 5.096 -0.518 19354 8525 1 13 . 1 1 23 23 ARG C C 23 174.128 174.128 175.430 -1.302 19354 8526 1 13 . 1 1 23 23 ARG CA C 23 54.192 54.192 53.980 0.212 19354 8527 1 13 . 1 1 23 23 ARG CB C 23 34.757 34.757 33.902 0.855 19354 8528 1 13 . 1 1 23 23 ARG H H 23 8.430 8.430 7.867 0.563 19354 8529 1 13 . 1 1 24 24 ARG N N 24 124.928 124.928 123.906 1.022 19354 8530 1 13 . 1 1 24 24 ARG HA H 24 4.619 4.619 4.474 0.145 19354 8531 1 13 . 1 1 24 24 ARG C C 24 176.265 176.265 175.568 0.697 19354 8532 1 13 . 1 1 24 24 ARG CA C 24 57.824 57.824 55.842 1.982 19354 8533 1 13 . 1 1 24 24 ARG CB C 24 29.913 29.913 27.941 1.972 19354 8534 1 13 . 1 1 24 24 ARG H H 24 8.569 8.569 8.606 -0.037 19354 8535 1 13 . 1 1 25 25 ALA N N 25 127.390 127.390 124.849 2.541 19354 8536 1 13 . 1 1 25 25 ALA HA H 25 4.379 4.379 4.540 -0.161 19354 8537 1 13 . 1 1 25 25 ALA C C 25 174.173 174.173 176.965 -2.792 19354 8538 1 13 . 1 1 25 25 ALA CA C 25 51.382 51.382 50.803 0.579 19354 8539 1 13 . 1 1 25 25 ALA CB C 25 23.050 23.050 20.947 2.103 19354 8540 1 13 . 1 1 25 25 ALA H H 25 8.082 8.082 8.065 0.017 19354 8541 1 13 . 1 1 26 26 ARG N N 26 116.820 116.820 118.946 -2.126 19354 8542 1 13 . 1 1 26 26 ARG HA H 26 4.692 4.692 4.246 0.446 19354 8543 1 13 . 1 1 26 26 ARG C C 26 177.847 177.847 175.036 2.811 19354 8544 1 13 . 1 1 26 26 ARG CA C 26 55.271 55.271 57.501 -2.230 19354 8545 1 13 . 1 1 26 26 ARG CB C 26 31.215 31.215 31.175 0.040 19354 8546 1 13 . 1 1 26 26 ARG H H 26 8.133 8.133 8.481 -0.348 19354 8547 1 13 . 1 1 27 27 CYS N N 27 126.567 126.567 118.892 7.675 19354 8548 1 13 . 1 1 27 27 CYS HA H 27 5.732 5.732 4.754 0.978 19354 8549 1 13 . 1 1 27 27 CYS C C 27 175.288 175.288 173.084 2.204 19354 8550 1 13 . 1 1 27 27 CYS CA C 27 51.785 51.785 58.094 -6.309 19354 8551 1 13 . 1 1 27 27 CYS CB C 27 38.246 38.246 29.054 9.192 19354 8552 1 13 . 1 1 27 27 CYS H H 27 9.709 9.709 8.233 1.476 19354 8553 1 13 . 1 1 28 28 TYR N N 28 120.309 120.309 123.570 -3.261 19354 8554 1 13 . 1 1 28 28 TYR HA H 28 5.079 5.079 5.164 -0.085 19354 8555 1 13 . 1 1 28 28 TYR CA C 28 54.951 54.951 54.189 0.762 19354 8556 1 13 . 1 1 28 28 TYR CB C 28 39.807 39.807 38.855 0.952 19354 8557 1 13 . 1 1 28 28 TYR H H 28 8.870 8.870 8.922 -0.052 19354 8558 1 13 . 1 1 29 29 PRO HA H 29 4.836 4.836 4.933 -0.097 19354 8559 1 13 . 1 1 29 29 PRO CA C 29 61.773 61.773 62.739 -0.966 19354 8560 1 13 . 1 1 29 29 PRO CB C 29 31.173 31.173 32.162 -0.989 19354 8561 1 13 . 1 1 30 30 THR N N 30 115.177 115.177 118.769 -3.592 19354 8562 1 13 . 1 1 30 30 THR HA H 30 4.253 4.253 4.450 -0.197 19354 8563 1 13 . 1 1 30 30 THR C C 30 173.688 173.688 175.609 -1.921 19354 8564 1 13 . 1 1 30 30 THR CA C 30 61.324 61.324 63.623 -2.299 19354 8565 1 13 . 1 1 30 30 THR CB C 30 70.191 70.191 68.990 1.200 19354 8566 1 13 . 1 1 30 30 THR H H 30 7.978 7.978 8.587 -0.609 19354 8567 1 13 . 1 1 31 31 SER N N 31 116.822 116.822 115.159 1.663 19354 8568 1 13 . 1 1 31 31 SER HA H 31 4.702 4.702 4.711 -0.009 19354 8569 1 13 . 1 1 31 31 SER C C 31 175.079 175.079 174.894 0.185 19354 8570 1 13 . 1 1 31 31 SER CA C 31 57.057 57.057 56.870 0.187 19354 8571 1 13 . 1 1 31 31 SER CB C 31 66.020 66.020 64.951 1.069 19354 8572 1 13 . 1 1 31 31 SER H H 31 8.451 8.451 8.098 0.353 19354 8573 1 13 . 1 1 32 32 ASN N N 32 118.803 118.803 120.182 -1.379 19354 8574 1 13 . 1 1 32 32 ASN HA H 32 4.385 4.385 4.557 -0.172 19354 8575 1 13 . 1 1 32 32 ASN C C 32 175.705 175.705 175.894 -0.189 19354 8576 1 13 . 1 1 32 32 ASN CA C 32 55.564 55.564 55.674 -0.110 19354 8577 1 13 . 1 1 32 32 ASN CB C 32 37.637 37.637 38.935 -1.298 19354 8578 1 13 . 1 1 32 32 ASN H H 32 8.802 8.802 8.723 0.079 19354 8579 1 13 . 1 1 33 33 ALA N N 33 118.571 118.571 120.355 -1.784 19354 8580 1 13 . 1 1 33 33 ALA HA H 33 4.262 4.262 4.402 -0.140 19354 8581 1 13 . 1 1 33 33 ALA C C 33 179.229 179.229 177.038 2.191 19354 8582 1 13 . 1 1 33 33 ALA CA C 33 53.087 53.087 53.430 -0.343 19354 8583 1 13 . 1 1 33 33 ALA CB C 33 19.563 19.563 19.740 -0.177 19354 8584 1 13 . 1 1 33 33 ALA H H 33 8.004 8.004 7.839 0.165 19354 8585 1 13 . 1 1 34 34 THR N N 34 106.312 106.312 110.832 -4.520 19354 8586 1 13 . 1 1 34 34 THR HA H 34 4.581 4.581 4.309 0.272 19354 8587 1 13 . 1 1 34 34 THR C C 34 175.334 175.334 173.143 2.191 19354 8588 1 13 . 1 1 34 34 THR CA C 34 60.586 60.586 61.694 -1.108 19354 8589 1 13 . 1 1 34 34 THR CB C 34 70.195 70.195 69.981 0.214 19354 8590 1 13 . 1 1 34 34 THR H H 34 7.551 7.551 7.573 -0.022 19354 8591 1 13 . 1 1 35 35 ASN N N 35 122.599 122.599 123.002 -0.403 19354 8592 1 13 . 1 1 35 35 ASN HA H 35 4.528 4.528 4.769 -0.241 19354 8593 1 13 . 1 1 35 35 ASN C C 35 174.221 174.221 174.649 -0.428 19354 8594 1 13 . 1 1 35 35 ASN CA C 35 52.790 52.790 52.728 0.062 19354 8595 1 13 . 1 1 35 35 ASN CB C 35 36.768 36.768 39.915 -3.147 19354 8596 1 13 . 1 1 35 35 ASN H H 35 7.897 7.897 8.402 -0.505 19354 8597 1 13 . 1 1 36 36 THR N N 36 107.151 107.151 114.210 -7.059 19354 8598 1 13 . 1 1 36 36 THR HA H 36 4.979 4.979 4.473 0.506 19354 8599 1 13 . 1 1 36 36 THR C C 36 173.651 173.651 172.593 1.058 19354 8600 1 13 . 1 1 36 36 THR CA C 36 59.011 59.011 61.323 -2.312 19354 8601 1 13 . 1 1 36 36 THR CB C 36 72.745 72.745 71.511 1.234 19354 8602 1 13 . 1 1 36 36 THR H H 36 7.490 7.490 8.401 -0.911 19354 8603 1 13 . 1 1 37 37 CYS N N 37 118.809 118.809 123.574 -4.765 19354 8604 1 13 . 1 1 37 37 CYS HA H 37 4.095 4.095 4.919 -0.824 19354 8605 1 13 . 1 1 37 37 CYS C C 37 173.688 173.688 173.751 -0.063 19354 8606 1 13 . 1 1 37 37 CYS CA C 37 55.634 55.634 58.895 -3.261 19354 8607 1 13 . 1 1 37 37 CYS CB C 37 45.854 45.854 28.698 17.157 19354 8608 1 13 . 1 1 37 37 CYS H H 37 8.632 8.632 8.462 0.170 19354 8609 1 13 . 1 1 38 38 PHE N N 38 128.190 128.190 124.542 3.648 19354 8610 1 13 . 1 1 38 38 PHE HA H 38 4.275 4.275 4.212 0.063 19354 8611 1 13 . 1 1 38 38 PHE C C 38 176.261 176.261 176.618 -0.357 19354 8612 1 13 . 1 1 38 38 PHE CA C 38 59.067 59.067 58.274 0.793 19354 8613 1 13 . 1 1 38 38 PHE CB C 38 36.576 36.576 37.669 -1.093 19354 8614 1 13 . 1 1 38 38 PHE H H 38 9.018 9.018 9.340 -0.322 19354 8615 1 13 . 1 1 39 39 GLY N N 39 104.504 104.504 106.479 -1.975 19354 8616 1 13 . 1 1 39 39 GLY C C 39 174.173 174.173 174.168 0.005 19354 8617 1 13 . 1 1 39 39 GLY CA C 39 45.112 45.112 45.291 -0.179 19354 8618 1 13 . 1 1 39 39 GLY H H 39 8.566 8.566 8.542 0.024 19354 8619 1 13 . 1 1 40 40 SER N N 40 116.201 116.201 121.230 -5.029 19354 8620 1 13 . 1 1 40 40 SER HA H 40 4.529 4.529 4.382 0.147 19354 8621 1 13 . 1 1 40 40 SER C C 40 173.873 173.873 174.423 -0.550 19354 8622 1 13 . 1 1 40 40 SER CA C 40 57.436 57.436 58.022 -0.586 19354 8623 1 13 . 1 1 40 40 SER CB C 40 63.718 63.718 63.453 0.265 19354 8624 1 13 . 1 1 40 40 SER H H 40 7.533 7.533 7.951 -0.418 19354 8625 1 13 . 1 1 41 41 LYS N N 41 127.456 127.456 126.568 0.888 19354 8626 1 13 . 1 1 41 41 LYS HA H 41 4.056 4.056 4.191 -0.135 19354 8627 1 13 . 1 1 41 41 LYS C C 41 176.632 176.632 176.312 0.320 19354 8628 1 13 . 1 1 41 41 LYS CA C 41 56.409 56.409 56.378 0.031 19354 8629 1 13 . 1 1 41 41 LYS CB C 41 32.169 32.169 32.801 -0.632 19354 8630 1 13 . 1 1 41 41 LYS H H 41 8.768 8.768 8.483 0.285 19354 8631 1 13 . 1 1 42 42 LEU N N 42 128.016 128.016 123.733 4.283 19354 8632 1 13 . 1 1 42 42 LEU HA H 42 4.120 4.120 4.294 -0.174 19354 8633 1 13 . 1 1 42 42 LEU CA C 42 52.010 52.010 51.621 0.389 19354 8634 1 13 . 1 1 42 42 LEU CB C 42 40.680 40.680 40.116 0.564 19354 8635 1 13 . 1 1 42 42 LEU H H 42 8.304 8.304 8.201 0.103 19354 8636 1 13 . 1 1 43 43 PRO HA H 43 4.453 4.453 4.245 0.208 19354 8637 1 13 . 1 1 43 43 PRO CA C 43 62.807 62.807 64.172 -1.365 19354 8638 1 13 . 1 1 43 43 PRO CB C 43 29.625 29.625 31.760 -2.135 19354 8639 1 13 . 1 1 44 44 TYR N N 44 116.871 116.871 113.399 3.472 19354 8640 1 13 . 1 1 44 44 TYR HA H 44 4.689 4.689 4.951 -0.262 19354 8641 1 13 . 1 1 44 44 TYR C C 44 175.239 175.239 174.873 0.366 19354 8642 1 13 . 1 1 44 44 TYR CA C 44 53.718 53.718 54.380 -0.662 19354 8643 1 13 . 1 1 44 44 TYR CB C 44 38.637 38.637 39.897 -1.260 19354 8644 1 13 . 1 1 44 44 TYR H H 44 6.311 6.311 6.590 -0.279 19354 8645 1 13 . 1 1 45 45 GLU N N 45 118.221 118.221 118.273 -0.052 19354 8646 1 13 . 1 1 45 45 GLU HA H 45 4.138 4.138 4.567 -0.429 19354 8647 1 13 . 1 1 45 45 GLU C C 45 176.282 176.282 175.023 1.259 19354 8648 1 13 . 1 1 45 45 GLU CA C 45 57.502 57.502 55.939 1.563 19354 8649 1 13 . 1 1 45 45 GLU CB C 45 31.105 31.105 30.457 0.648 19354 8650 1 13 . 1 1 45 45 GLU H H 45 8.591 8.591 8.791 -0.200 19354 8651 1 13 . 1 1 46 46 LEU N N 46 119.826 119.826 119.448 0.378 19354 8652 1 13 . 1 1 46 46 LEU HA H 46 4.974 4.974 5.373 -0.399 19354 8653 1 13 . 1 1 46 46 LEU C C 46 175.420 175.420 175.697 -0.277 19354 8654 1 13 . 1 1 46 46 LEU CA C 46 53.202 53.202 53.138 0.064 19354 8655 1 13 . 1 1 46 46 LEU CB C 46 43.587 43.587 46.120 -2.533 19354 8656 1 13 . 1 1 46 46 LEU H H 46 8.176 8.176 7.584 0.592 19354 8657 1 13 . 1 1 47 47 SER N N 47 111.561 111.561 112.836 -1.275 19354 8658 1 13 . 1 1 47 47 SER HA H 47 5.020 5.020 4.472 0.548 19354 8659 1 13 . 1 1 47 47 SER C C 47 173.833 173.833 172.166 1.667 19354 8660 1 13 . 1 1 47 47 SER CA C 47 53.006 53.006 56.956 -3.950 19354 8661 1 13 . 1 1 47 47 SER CB C 47 64.691 64.691 64.951 -0.260 19354 8662 1 13 . 1 1 47 47 SER H H 47 7.924 7.924 8.441 -0.517 19354 8663 1 13 . 1 1 48 48 SER N N 48 111.459 111.459 120.076 -8.617 19354 8664 1 13 . 1 1 48 48 SER HA H 48 4.841 4.841 4.729 0.112 19354 8665 1 13 . 1 1 48 48 SER C C 48 175.602 175.602 174.921 0.681 19354 8666 1 13 . 1 1 48 48 SER CA C 48 57.388 57.388 56.620 0.768 19354 8667 1 13 . 1 1 48 48 SER CB C 48 66.333 66.333 62.896 3.437 19354 8668 1 13 . 1 1 48 48 SER H H 48 8.628 8.628 8.692 -0.064 19354 8669 1 13 . 1 1 49 49 LEU N N 49 128.995 128.995 130.650 -1.655 19354 8670 1 13 . 1 1 49 49 LEU HA H 49 4.383 4.383 4.391 -0.008 19354 8671 1 13 . 1 1 49 49 LEU C C 49 179.571 179.571 178.433 1.138 19354 8672 1 13 . 1 1 49 49 LEU CA C 49 56.032 56.032 57.317 -1.285 19354 8673 1 13 . 1 1 49 49 LEU CB C 49 41.904 41.904 41.621 0.283 19354 8674 1 13 . 1 1 49 49 LEU H H 49 9.519 9.519 9.315 0.204 19354 8675 1 13 . 1 1 50 50 ASP N N 50 115.013 115.013 119.947 -4.934 19354 8676 1 13 . 1 1 50 50 ASP HA H 50 4.168 4.168 4.396 -0.228 19354 8677 1 13 . 1 1 50 50 ASP C C 50 176.486 176.486 178.265 -1.779 19354 8678 1 13 . 1 1 50 50 ASP CA C 50 58.352 58.352 56.566 1.786 19354 8679 1 13 . 1 1 50 50 ASP CB C 50 41.259 41.259 40.666 0.593 19354 8680 1 13 . 1 1 50 50 ASP H H 50 8.191 8.191 7.986 0.205 19354 8681 1 13 . 1 1 51 51 LEU N N 51 118.298 118.298 118.463 -0.165 19354 8682 1 13 . 1 1 51 51 LEU HA H 51 4.329 4.329 4.069 0.260 19354 8683 1 13 . 1 1 51 51 LEU C C 51 175.556 175.556 176.982 -1.426 19354 8684 1 13 . 1 1 51 51 LEU CA C 51 54.483 54.483 56.736 -2.253 19354 8685 1 13 . 1 1 51 51 LEU CB C 51 39.219 39.219 42.610 -3.391 19354 8686 1 13 . 1 1 51 51 LEU H H 51 8.732 8.732 7.657 1.075 19354 8687 1 13 . 1 1 52 52 THR N N 52 106.427 106.427 109.850 -3.423 19354 8688 1 13 . 1 1 52 52 THR HA H 52 2.784 2.784 4.410 -1.626 19354 8689 1 13 . 1 1 52 52 THR C C 52 172.812 172.812 173.618 -0.806 19354 8690 1 13 . 1 1 52 52 THR CA C 52 58.759 58.759 60.570 -1.811 19354 8691 1 13 . 1 1 52 52 THR CB C 52 71.985 71.985 70.881 1.104 19354 8692 1 13 . 1 1 52 52 THR H H 52 7.574 7.574 7.498 0.076 19354 8693 1 13 . 1 1 53 53 ASP HA H 53 4.398 4.398 4.699 -0.301 19354 8694 1 13 . 1 1 53 53 ASP CA C 53 52.757 52.757 52.622 0.135 19354 8695 1 13 . 1 1 53 53 ASP CB C 53 40.737 40.737 39.562 1.175 19354 8696 1 13 . 1 1 54 54 PHE N N 54 117.929 117.929 117.052 0.877 19354 8697 1 13 . 1 1 54 54 PHE HA H 54 4.498 4.498 4.690 -0.192 19354 8698 1 13 . 1 1 54 54 PHE C C 54 176.169 176.169 175.314 0.855 19354 8699 1 13 . 1 1 54 54 PHE CA C 54 57.477 57.477 56.328 1.149 19354 8700 1 13 . 1 1 54 54 PHE CB C 54 39.270 39.270 41.178 -1.908 19354 8701 1 13 . 1 1 54 54 PHE H H 54 7.575 7.575 7.160 0.415 19354 8702 1 13 . 1 1 55 55 HIS N N 55 115.333 115.333 117.886 -2.553 19354 8703 1 13 . 1 1 55 55 HIS HA H 55 4.585 4.585 4.964 -0.379 19354 8704 1 13 . 1 1 55 55 HIS C C 55 175.080 175.080 174.705 0.375 19354 8705 1 13 . 1 1 55 55 HIS CA C 55 56.439 56.439 55.756 0.683 19354 8706 1 13 . 1 1 55 55 HIS CB C 55 31.104 31.104 31.638 -0.534 19354 8707 1 13 . 1 1 55 55 HIS H H 55 9.230 9.230 8.811 0.419 19354 8708 1 13 . 1 1 56 56 THR N N 56 106.891 106.891 112.066 -5.175 19354 8709 1 13 . 1 1 56 56 THR HA H 56 4.528 4.528 4.373 0.155 19354 8710 1 13 . 1 1 56 56 THR C C 56 173.696 173.696 173.929 -0.233 19354 8711 1 13 . 1 1 56 56 THR CA C 56 58.725 58.725 61.507 -2.782 19354 8712 1 13 . 1 1 56 56 THR CB C 56 72.851 72.851 70.563 2.288 19354 8713 1 13 . 1 1 56 56 THR H H 56 7.343 7.343 7.388 -0.045 19354 8714 1 13 . 1 1 57 57 GLU N N 57 121.798 121.798 123.884 -2.086 19354 8715 1 13 . 1 1 57 57 GLU HA H 57 3.611 3.611 3.930 -0.319 19354 8716 1 13 . 1 1 57 57 GLU C C 57 178.417 178.417 178.172 0.245 19354 8717 1 13 . 1 1 57 57 GLU CA C 57 59.380 59.380 60.284 -0.904 19354 8718 1 13 . 1 1 57 57 GLU CB C 57 29.873 29.873 29.653 0.220 19354 8719 1 13 . 1 1 57 57 GLU H H 57 8.841 8.841 8.764 0.077 19354 8720 1 13 . 1 1 58 58 LYS N N 58 121.091 121.091 118.486 2.605 19354 8721 1 13 . 1 1 58 58 LYS HA H 58 3.903 3.903 3.907 -0.004 19354 8722 1 13 . 1 1 58 58 LYS C C 58 177.745 177.745 178.730 -0.985 19354 8723 1 13 . 1 1 58 58 LYS CA C 58 59.470 59.470 59.258 0.212 19354 8724 1 13 . 1 1 58 58 LYS CB C 58 32.130 32.130 31.850 0.280 19354 8725 1 13 . 1 1 58 58 LYS H H 58 8.307 8.307 7.721 0.586 19354 8726 1 13 . 1 1 59 59 GLU N N 59 117.790 117.790 119.465 -1.675 19354 8727 1 13 . 1 1 59 59 GLU HA H 59 3.852 3.852 3.962 -0.110 19354 8728 1 13 . 1 1 59 59 GLU C C 59 178.051 178.051 178.315 -0.264 19354 8729 1 13 . 1 1 59 59 GLU CA C 59 59.094 59.094 58.953 0.141 19354 8730 1 13 . 1 1 59 59 GLU CB C 59 30.468 30.468 29.348 1.120 19354 8731 1 13 . 1 1 59 59 GLU H H 59 7.537 7.537 7.637 -0.100 19354 8732 1 13 . 1 1 60 60 LEU N N 60 118.763 118.763 120.706 -1.943 19354 8733 1 13 . 1 1 60 60 LEU HA H 60 3.211 3.211 2.887 0.324 19354 8734 1 13 . 1 1 60 60 LEU C C 60 178.070 178.070 178.254 -0.184 19354 8735 1 13 . 1 1 60 60 LEU CA C 60 59.007 59.007 57.156 1.851 19354 8736 1 13 . 1 1 60 60 LEU CB C 60 42.750 42.750 42.023 0.727 19354 8737 1 13 . 1 1 60 60 LEU H H 60 7.321 7.321 7.367 -0.046 19354 8738 1 13 . 1 1 61 61 ASN N N 61 116.987 116.987 116.866 0.121 19354 8739 1 13 . 1 1 61 61 ASN HA H 61 4.127 4.127 4.308 -0.181 19354 8740 1 13 . 1 1 61 61 ASN C C 61 177.689 177.689 177.110 0.579 19354 8741 1 13 . 1 1 61 61 ASN CA C 61 57.310 57.310 56.477 0.833 19354 8742 1 13 . 1 1 61 61 ASN CB C 61 39.288 39.288 38.507 0.781 19354 8743 1 13 . 1 1 61 61 ASN H H 61 8.335 8.335 8.052 0.283 19354 8744 1 13 . 1 1 62 62 ASP N N 62 120.935 120.935 119.300 1.635 19354 8745 1 13 . 1 1 62 62 ASP HA H 62 4.306 4.306 4.411 -0.105 19354 8746 1 13 . 1 1 62 62 ASP C C 62 178.868 178.868 178.400 0.468 19354 8747 1 13 . 1 1 62 62 ASP CA C 62 57.510 57.510 56.764 0.746 19354 8748 1 13 . 1 1 62 62 ASP CB C 62 39.596 39.596 41.226 -1.630 19354 8749 1 13 . 1 1 62 62 ASP H H 62 8.376 8.376 8.105 0.271 19354 8750 1 13 . 1 1 63 63 LYS N N 63 119.626 119.626 120.307 -0.681 19354 8751 1 13 . 1 1 63 63 LYS HA H 63 4.168 4.168 4.045 0.123 19354 8752 1 13 . 1 1 63 63 LYS C C 63 179.458 179.458 178.441 1.017 19354 8753 1 13 . 1 1 63 63 LYS CA C 63 55.698 55.698 59.070 -3.372 19354 8754 1 13 . 1 1 63 63 LYS CB C 63 31.082 31.082 31.986 -0.904 19354 8755 1 13 . 1 1 63 63 LYS H H 63 7.748 7.748 7.725 0.023 19354 8756 1 13 . 1 1 64 64 LEU N N 64 120.255 120.255 119.437 0.818 19354 8757 1 13 . 1 1 64 64 LEU HA H 64 3.688 3.688 3.929 -0.241 19354 8758 1 13 . 1 1 64 64 LEU C C 64 178.732 178.732 178.908 -0.176 19354 8759 1 13 . 1 1 64 64 LEU CA C 64 57.722 57.722 57.656 0.066 19354 8760 1 13 . 1 1 64 64 LEU CB C 64 41.236 41.236 40.994 0.242 19354 8761 1 13 . 1 1 64 64 LEU H H 64 8.221 8.221 7.319 0.902 19354 8762 1 13 . 1 1 65 65 ASN N N 65 113.630 113.630 117.922 -4.292 19354 8763 1 13 . 1 1 65 65 ASN HA H 65 4.580 4.580 4.495 0.085 19354 8764 1 13 . 1 1 65 65 ASN C C 65 178.394 178.394 177.840 0.554 19354 8765 1 13 . 1 1 65 65 ASN CA C 65 55.628 55.628 56.527 -0.899 19354 8766 1 13 . 1 1 65 65 ASN CB C 65 38.269 38.269 37.782 0.487 19354 8767 1 13 . 1 1 65 65 ASN H H 65 7.482 7.482 8.074 -0.592 19354 8768 1 13 . 1 1 66 66 ASP N N 66 120.683 120.683 119.322 1.361 19354 8769 1 13 . 1 1 66 66 ASP HA H 66 4.482 4.482 4.448 0.034 19354 8770 1 13 . 1 1 66 66 ASP C C 66 179.095 179.095 178.714 0.381 19354 8771 1 13 . 1 1 66 66 ASP CA C 66 56.623 56.623 57.277 -0.654 19354 8772 1 13 . 1 1 66 66 ASP CB C 66 39.883 39.883 40.995 -1.112 19354 8773 1 13 . 1 1 66 66 ASP H H 66 7.834 7.834 8.381 -0.547 19354 8774 1 13 . 1 1 67 67 TYR N N 67 116.512 116.512 119.739 -3.227 19354 8775 1 13 . 1 1 67 67 TYR HA H 67 3.984 3.984 4.441 -0.457 19354 8776 1 13 . 1 1 67 67 TYR C C 67 176.554 176.554 177.550 -0.996 19354 8777 1 13 . 1 1 67 67 TYR CA C 67 62.142 62.142 60.297 1.845 19354 8778 1 13 . 1 1 67 67 TYR CB C 67 37.436 37.436 38.295 -0.859 19354 8779 1 13 . 1 1 67 67 TYR H H 67 8.132 8.132 7.454 0.678 19354 8780 1 13 . 1 1 68 68 TYR N N 68 118.786 118.786 120.211 -1.425 19354 8781 1 13 . 1 1 68 68 TYR HA H 68 3.632 3.632 3.189 0.443 19354 8782 1 13 . 1 1 68 68 TYR C C 68 177.915 177.915 177.828 0.087 19354 8783 1 13 . 1 1 68 68 TYR CA C 68 61.395 61.395 61.779 -0.384 19354 8784 1 13 . 1 1 68 68 TYR CB C 68 37.345 37.345 37.076 0.269 19354 8785 1 13 . 1 1 68 68 TYR H H 68 7.558 7.558 8.394 -0.836 19354 8786 1 13 . 1 1 69 69 ALA N N 69 120.715 120.715 121.584 -0.869 19354 8787 1 13 . 1 1 69 69 ALA HA H 69 3.935 3.935 3.817 0.118 19354 8788 1 13 . 1 1 69 69 ALA C C 69 179.390 179.390 178.946 0.444 19354 8789 1 13 . 1 1 69 69 ALA CA C 69 54.015 54.015 54.598 -0.583 19354 8790 1 13 . 1 1 69 69 ALA CB C 69 18.529 18.529 17.959 0.570 19354 8791 1 13 . 1 1 69 69 ALA H H 69 7.453 7.453 7.793 -0.340 19354 8792 1 13 . 1 1 70 70 LEU N N 70 117.212 117.212 119.056 -1.844 19354 8793 1 13 . 1 1 70 70 LEU HA H 70 3.765 3.765 3.876 -0.111 19354 8794 1 13 . 1 1 70 70 LEU C C 70 177.280 177.280 178.048 -0.768 19354 8795 1 13 . 1 1 70 70 LEU CA C 70 56.634 56.634 56.959 -0.326 19354 8796 1 13 . 1 1 70 70 LEU CB C 70 41.045 41.045 41.731 -0.686 19354 8797 1 13 . 1 1 70 70 LEU H H 70 7.764 7.764 8.098 -0.334 19354 8798 1 13 . 1 1 71 71 LYS N N 71 118.756 118.756 118.828 -0.072 19354 8799 1 13 . 1 1 71 71 LYS HA H 71 3.039 3.039 3.510 -0.471 19354 8800 1 13 . 1 1 71 71 LYS C C 71 177.121 177.121 177.918 -0.797 19354 8801 1 13 . 1 1 71 71 LYS CA C 71 58.865 58.865 58.746 0.119 19354 8802 1 13 . 1 1 71 71 LYS CB C 71 31.247 31.247 31.143 0.104 19354 8803 1 13 . 1 1 71 71 LYS H H 71 7.001 7.001 7.897 -0.896 19354 8804 1 13 . 1 1 72 72 HIS N N 72 113.331 113.331 117.882 -4.551 19354 8805 1 13 . 1 1 72 72 HIS HA H 72 4.304 4.304 4.284 0.020 19354 8806 1 13 . 1 1 72 72 HIS C C 72 174.232 174.232 175.958 -1.726 19354 8807 1 13 . 1 1 72 72 HIS CA C 72 57.245 57.245 57.508 -0.263 19354 8808 1 13 . 1 1 72 72 HIS CB C 72 30.221 30.221 30.280 -0.059 19354 8809 1 13 . 1 1 72 72 HIS H H 72 6.973 6.973 7.627 -0.654 19354 8810 1 13 . 1 1 73 73 VAL N N 73 121.486 121.486 120.232 1.254 19354 8811 1 13 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.456 0.075 19354 8812 1 13 . 1 1 73 73 VAL CA C 73 59.159 59.159 58.698 0.461 19354 8813 1 13 . 1 1 73 73 VAL CB C 73 30.604 30.604 31.853 -1.249 19354 8814 1 13 . 1 1 73 73 VAL H H 73 7.821 7.821 7.938 -0.117 19354 8815 1 13 . 1 1 74 74 PRO HA H 74 4.070 4.070 4.638 -0.568 19354 8816 1 13 . 1 1 74 74 PRO CA C 74 66.637 66.637 65.154 1.483 19354 8817 1 13 . 1 1 74 74 PRO CB C 74 32.212 32.212 32.227 -0.015 19354 8818 1 13 . 1 1 75 75 LYS N N 75 116.832 116.832 119.115 -2.283 19354 8819 1 13 . 1 1 75 75 LYS HA H 75 4.099 4.099 4.157 -0.058 19354 8820 1 13 . 1 1 75 75 LYS C C 75 180.048 180.048 177.648 2.400 19354 8821 1 13 . 1 1 75 75 LYS CA C 75 59.398 59.398 59.063 0.334 19354 8822 1 13 . 1 1 75 75 LYS CB C 75 31.296 31.296 31.273 0.023 19354 8823 1 13 . 1 1 75 75 LYS H H 75 9.234 9.234 8.681 0.553 19354 8824 1 13 . 1 1 76 76 CYS N N 76 116.333 116.333 118.106 -1.773 19354 8825 1 13 . 1 1 76 76 CYS HA H 76 4.320 4.320 4.669 -0.349 19354 8826 1 13 . 1 1 76 76 CYS C C 76 175.012 175.012 176.355 -1.343 19354 8827 1 13 . 1 1 76 76 CYS CA C 76 58.297 58.297 60.220 -1.923 19354 8828 1 13 . 1 1 76 76 CYS CB C 76 38.803 38.803 27.819 10.984 19354 8829 1 13 . 1 1 76 76 CYS H H 76 7.496 7.496 7.807 -0.311 19354 8830 1 13 . 1 1 77 77 TRP N N 77 119.987 119.987 123.194 -3.207 19354 8831 1 13 . 1 1 77 77 TRP HA H 77 4.452 4.452 4.274 0.178 19354 8832 1 13 . 1 1 77 77 TRP C C 77 177.462 177.462 177.904 -0.442 19354 8833 1 13 . 1 1 77 77 TRP CA C 77 58.821 58.821 60.109 -1.288 19354 8834 1 13 . 1 1 77 77 TRP CB C 77 30.425 30.425 29.253 1.172 19354 8835 1 13 . 1 1 77 77 TRP H H 77 8.254 8.254 8.742 -0.488 19354 8836 1 13 . 1 1 78 78 ALA N N 78 116.093 116.093 119.593 -3.500 19354 8837 1 13 . 1 1 78 78 ALA HA H 78 3.736 3.736 3.553 0.183 19354 8838 1 13 . 1 1 78 78 ALA C C 78 178.845 178.845 178.779 0.066 19354 8839 1 13 . 1 1 78 78 ALA CA C 78 54.188 54.188 53.917 0.271 19354 8840 1 13 . 1 1 78 78 ALA CB C 78 18.323 18.323 17.788 0.535 19354 8841 1 13 . 1 1 78 78 ALA H H 78 7.968 7.968 7.946 0.022 19354 8842 1 13 . 1 1 79 79 ALA N N 79 116.351 116.351 120.439 -4.088 19354 8843 1 13 . 1 1 79 79 ALA HA H 79 4.147 4.147 4.182 -0.035 19354 8844 1 13 . 1 1 79 79 ALA C C 79 178.414 178.414 178.037 0.377 19354 8845 1 13 . 1 1 79 79 ALA CA C 79 53.243 53.243 54.059 -0.816 19354 8846 1 13 . 1 1 79 79 ALA CB C 79 19.832 19.832 19.151 0.681 19354 8847 1 13 . 1 1 79 79 ALA H H 79 6.929 6.929 7.259 -0.330 19354 8848 1 13 . 1 1 80 80 ILE N N 80 115.150 115.150 117.519 -2.369 19354 8849 1 13 . 1 1 80 80 ILE HA H 80 4.218 4.218 4.146 0.072 19354 8850 1 13 . 1 1 80 80 ILE C C 80 176.350 176.350 176.278 0.072 19354 8851 1 13 . 1 1 80 80 ILE CA C 80 62.069 62.069 60.111 1.958 19354 8852 1 13 . 1 1 80 80 ILE CB C 80 39.375 39.375 37.800 1.575 19354 8853 1 13 . 1 1 80 80 ILE H H 80 8.695 8.695 7.505 1.190 19354 8854 1 13 . 1 1 81 81 GLN N N 81 122.564 122.564 121.488 1.076 19354 8855 1 13 . 1 1 81 81 GLN HA H 81 3.332 3.332 3.854 -0.522 19354 8856 1 13 . 1 1 81 81 GLN C C 81 173.470 173.470 175.147 -1.677 19354 8857 1 13 . 1 1 81 81 GLN CA C 81 61.829 61.829 61.197 0.632 19354 8858 1 13 . 1 1 81 81 GLN CB C 81 25.973 25.973 26.941 -0.968 19354 8859 1 13 . 1 1 81 81 GLN H H 81 7.315 7.315 7.350 -0.035 19354 8860 1 13 . 1 1 82 82 PRO HA H 82 4.076 4.076 4.192 -0.116 19354 8861 1 13 . 1 1 82 82 PRO CA C 82 65.894 65.894 64.730 1.164 19354 8862 1 13 . 1 1 82 82 PRO CB C 82 30.481 30.481 31.456 -0.974 19354 8863 1 13 . 1 1 83 83 PHE N N 83 119.137 119.137 118.880 0.257 19354 8864 1 13 . 1 1 83 83 PHE HA H 83 4.289 4.289 4.312 -0.023 19354 8865 1 13 . 1 1 83 83 PHE C C 83 175.919 175.919 175.915 0.004 19354 8866 1 13 . 1 1 83 83 PHE CA C 83 59.712 59.712 57.093 2.619 19354 8867 1 13 . 1 1 83 83 PHE CB C 83 39.329 39.329 39.018 0.311 19354 8868 1 13 . 1 1 83 83 PHE H H 83 6.892 6.892 7.763 -0.871 19354 8869 1 13 . 1 1 84 84 LEU N N 84 116.693 116.693 119.795 -3.102 19354 8870 1 13 . 1 1 84 84 LEU HA H 84 3.611 3.611 3.234 0.377 19354 8871 1 13 . 1 1 84 84 LEU C C 84 180.297 180.297 177.738 2.559 19354 8872 1 13 . 1 1 84 84 LEU CA C 84 57.952 57.952 57.828 0.124 19354 8873 1 13 . 1 1 84 84 LEU CB C 84 41.645 41.645 40.489 1.156 19354 8874 1 13 . 1 1 84 84 LEU H H 84 8.589 8.589 7.765 0.824 19354 8875 1 13 . 1 1 85 85 CYS N N 85 115.085 115.085 116.172 -1.087 19354 8876 1 13 . 1 1 85 85 CYS HA H 85 4.127 4.127 4.214 -0.087 19354 8877 1 13 . 1 1 85 85 CYS C C 85 175.556 175.556 176.686 -1.130 19354 8878 1 13 . 1 1 85 85 CYS CA C 85 57.678 57.678 61.495 -3.817 19354 8879 1 13 . 1 1 85 85 CYS CB C 85 39.396 39.396 26.363 13.033 19354 8880 1 13 . 1 1 85 85 CYS H H 85 8.001 8.001 7.277 0.724 19354 8881 1 13 . 1 1 86 86 ALA N N 86 121.743 121.743 120.990 0.753 19354 8882 1 13 . 1 1 86 86 ALA HA H 86 3.922 3.922 4.184 -0.262 19354 8883 1 13 . 1 1 86 86 ALA C C 86 177.745 177.745 177.195 0.550 19354 8884 1 13 . 1 1 86 86 ALA CA C 86 54.306 54.306 53.589 0.717 19354 8885 1 13 . 1 1 86 86 ALA CB C 86 18.778 18.778 18.097 0.681 19354 8886 1 13 . 1 1 86 86 ALA H H 86 7.671 7.671 7.323 0.348 19354 8887 1 13 . 1 1 87 87 VAL N N 87 115.667 115.667 115.992 -0.325 19354 8888 1 13 . 1 1 87 87 VAL HA H 87 3.735 3.735 3.413 0.322 19354 8889 1 13 . 1 1 87 87 VAL C C 87 175.806 175.806 175.568 0.238 19354 8890 1 13 . 1 1 87 87 VAL CA C 87 64.622 64.622 63.445 1.177 19354 8891 1 13 . 1 1 87 87 VAL CB C 87 32.936 32.936 32.077 0.859 19354 8892 1 13 . 1 1 87 87 VAL H H 87 7.460 7.460 6.715 0.745 19354 8893 1 13 . 1 1 88 88 PHE N N 88 115.306 115.306 115.049 0.257 19354 8894 1 13 . 1 1 88 88 PHE HA H 88 4.048 4.048 4.568 -0.520 19354 8895 1 13 . 1 1 88 88 PHE C C 88 176.192 176.192 175.179 1.013 19354 8896 1 13 . 1 1 88 88 PHE CA C 88 60.420 60.420 57.806 2.614 19354 8897 1 13 . 1 1 88 88 PHE CB C 88 40.182 40.182 40.286 -0.104 19354 8898 1 13 . 1 1 88 88 PHE H H 88 8.930 8.930 6.926 2.004 19354 8899 1 13 . 1 1 89 89 LYS N N 89 115.470 115.470 119.569 -4.099 19354 8900 1 13 . 1 1 89 89 LYS HA H 89 4.816 4.816 4.835 -0.019 19354 8901 1 13 . 1 1 89 89 LYS C C 89 184.176 184.176 174.176 10.000 19354 8902 1 13 . 1 1 89 89 LYS CA C 89 53.428 53.428 52.964 0.464 19354 8903 1 13 . 1 1 89 89 LYS CB C 89 33.274 33.274 31.834 1.440 19354 8904 1 13 . 1 1 89 89 LYS H H 89 7.802 7.802 7.556 0.246 19354 8905 1 13 . 1 1 90 90 PRO HA H 90 4.250 4.250 4.319 -0.069 19354 8906 1 13 . 1 1 90 90 PRO CA C 90 62.682 62.682 62.393 0.289 19354 8907 1 13 . 1 1 90 90 PRO CB C 90 32.358 32.358 32.377 -0.019 19354 8908 1 13 . 1 1 91 91 LYS N N 91 122.391 122.391 121.807 0.584 19354 8909 1 13 . 1 1 91 91 LYS HA H 91 3.039 3.039 2.969 0.070 19354 8910 1 13 . 1 1 91 91 LYS C C 91 173.356 173.356 175.238 -1.882 19354 8911 1 13 . 1 1 91 91 LYS CA C 91 58.027 58.027 55.489 2.538 19354 8912 1 13 . 1 1 91 91 LYS CB C 91 31.285 31.285 31.857 -0.572 19354 8913 1 13 . 1 1 91 91 LYS H H 91 8.537 8.537 8.321 0.216 19354 8914 1 13 . 1 1 92 92 CYS N N 92 127.562 127.562 128.178 -0.616 19354 8915 1 13 . 1 1 92 92 CYS HA H 92 5.391 5.391 4.935 0.456 19354 8916 1 13 . 1 1 92 92 CYS C C 92 171.655 171.655 173.736 -2.081 19354 8917 1 13 . 1 1 92 92 CYS CA C 92 53.804 53.804 58.005 -4.201 19354 8918 1 13 . 1 1 92 92 CYS CB C 92 41.219 41.219 26.548 14.671 19354 8919 1 13 . 1 1 92 92 CYS H H 92 7.037 7.037 8.052 -1.015 19354 8920 1 13 . 1 1 93 93 GLU N N 93 124.483 124.483 126.822 -2.339 19354 8921 1 13 . 1 1 93 93 GLU HA H 93 4.492 4.492 4.702 -0.210 19354 8922 1 13 . 1 1 93 93 GLU C C 93 173.371 173.371 175.521 -2.150 19354 8923 1 13 . 1 1 93 93 GLU CA C 93 54.874 54.874 54.109 0.765 19354 8924 1 13 . 1 1 93 93 GLU CB C 93 34.630 34.630 33.075 1.555 19354 8925 1 13 . 1 1 93 93 GLU H H 93 9.401 9.401 8.009 1.392 19354 8926 1 13 . 1 1 94 94 LYS N N 94 122.694 122.694 120.918 1.776 19354 8927 1 13 . 1 1 94 94 LYS HA H 94 4.581 4.581 4.733 -0.152 19354 8928 1 13 . 1 1 94 94 LYS C C 94 176.509 176.509 176.611 -0.102 19354 8929 1 13 . 1 1 94 94 LYS CA C 94 55.856 55.856 55.496 0.360 19354 8930 1 13 . 1 1 94 94 LYS CB C 94 31.809 31.809 32.954 -1.145 19354 8931 1 13 . 1 1 94 94 LYS H H 94 8.526 8.526 8.572 -0.046 19354 8932 1 13 . 1 1 95 95 ILE N N 95 128.382 128.382 127.044 1.338 19354 8933 1 13 . 1 1 95 95 ILE HA H 95 4.049 4.049 4.125 -0.076 19354 8934 1 13 . 1 1 95 95 ILE C C 95 176.337 176.337 175.892 0.445 19354 8935 1 13 . 1 1 95 95 ILE CA C 95 60.847 60.847 60.678 0.169 19354 8936 1 13 . 1 1 95 95 ILE CB C 95 39.625 39.625 38.082 1.543 19354 8937 1 13 . 1 1 95 95 ILE H H 95 9.001 9.001 8.607 0.394 19354 8938 1 13 . 1 1 96 96 ASN N N 96 127.596 127.596 127.574 0.022 19354 8939 1 13 . 1 1 96 96 ASN HA H 96 4.212 4.212 4.411 -0.199 19354 8940 1 13 . 1 1 96 96 ASN C C 96 175.496 175.496 175.134 0.362 19354 8941 1 13 . 1 1 96 96 ASN CA C 96 53.970 53.970 53.555 0.415 19354 8942 1 13 . 1 1 96 96 ASN CB C 96 37.238 37.238 38.044 -0.806 19354 8943 1 13 . 1 1 96 96 ASN H H 96 9.474 9.474 9.361 0.113 19354 8944 1 13 . 1 1 97 97 GLY N N 97 101.656 101.656 103.044 -1.388 19354 8945 1 13 . 1 1 97 97 GLY C C 97 173.651 173.651 173.616 0.035 19354 8946 1 13 . 1 1 97 97 GLY CA C 97 45.167 45.167 44.898 0.269 19354 8947 1 13 . 1 1 97 97 GLY H H 97 8.476 8.476 8.212 0.264 19354 8948 1 13 . 1 1 98 98 GLU N N 98 120.042 120.042 120.476 -0.434 19354 8949 1 13 . 1 1 98 98 GLU HA H 98 4.587 4.587 4.497 0.090 19354 8950 1 13 . 1 1 98 98 GLU C C 98 174.422 174.422 175.124 -0.702 19354 8951 1 13 . 1 1 98 98 GLU CA C 98 54.294 54.294 54.346 -0.052 19354 8952 1 13 . 1 1 98 98 GLU CB C 98 32.934 32.934 31.537 1.397 19354 8953 1 13 . 1 1 98 98 GLU H H 98 7.591 7.591 7.623 -0.032 19354 8954 1 13 . 1 1 99 99 ASP N N 99 126.603 126.603 127.268 -0.665 19354 8955 1 13 . 1 1 99 99 ASP HA H 99 4.340 4.340 4.541 -0.201 19354 8956 1 13 . 1 1 99 99 ASP C C 99 176.214 176.214 175.535 0.679 19354 8957 1 13 . 1 1 99 99 ASP CA C 99 55.408 55.408 55.988 -0.580 19354 8958 1 13 . 1 1 99 99 ASP CB C 99 41.629 41.629 40.853 0.776 19354 8959 1 13 . 1 1 99 99 ASP H H 99 8.489 8.489 8.779 -0.290 19354 8960 1 13 . 1 1 100 100 MET N N 100 121.977 121.977 121.241 0.736 19354 8961 1 13 . 1 1 100 100 MET HA H 100 4.911 4.911 5.432 -0.521 19354 8962 1 13 . 1 1 100 100 MET C C 100 172.900 172.900 174.582 -1.682 19354 8963 1 13 . 1 1 100 100 MET CA C 100 53.649 53.649 53.618 0.031 19354 8964 1 13 . 1 1 100 100 MET CB C 100 35.529 35.529 37.217 -1.688 19354 8965 1 13 . 1 1 100 100 MET H H 100 8.853 8.853 8.962 -0.109 19354 8966 1 13 . 1 1 101 101 VAL N N 101 119.963 119.963 113.051 6.912 19354 8967 1 13 . 1 1 101 101 VAL HA H 101 4.814 4.814 4.469 0.345 19354 8968 1 13 . 1 1 101 101 VAL C C 101 172.991 172.991 173.603 -0.612 19354 8969 1 13 . 1 1 101 101 VAL CA C 101 58.203 58.203 59.312 -1.109 19354 8970 1 13 . 1 1 101 101 VAL CB C 101 34.629 34.629 34.700 -0.071 19354 8971 1 13 . 1 1 101 101 VAL H H 101 8.964 8.964 8.180 0.784 19354 8972 1 13 . 1 1 102 102 TYR N N 102 125.849 125.849 121.981 3.868 19354 8973 1 13 . 1 1 102 102 TYR HA H 102 4.444 4.444 4.779 -0.335 19354 8974 1 13 . 1 1 102 102 TYR C C 102 176.464 176.464 175.812 0.652 19354 8975 1 13 . 1 1 102 102 TYR CA C 102 57.549 57.549 56.428 1.121 19354 8976 1 13 . 1 1 102 102 TYR CB C 102 38.274 38.274 38.416 -0.142 19354 8977 1 13 . 1 1 102 102 TYR H H 102 8.137 8.137 7.755 0.382 19354 8978 1 13 . 1 1 103 103 LEU N N 103 123.151 123.151 123.128 0.023 19354 8979 1 13 . 1 1 103 103 LEU HA H 103 4.683 4.683 4.505 0.178 19354 8980 1 13 . 1 1 103 103 LEU CA C 103 52.426 52.426 52.435 -0.009 19354 8981 1 13 . 1 1 103 103 LEU CB C 103 42.038 42.038 40.685 1.353 19354 8982 1 13 . 1 1 103 103 LEU H H 103 8.308 8.308 8.223 0.085 19354 8983 1 13 . 1 1 104 104 PRO HA H 104 4.678 4.678 4.609 0.069 19354 8984 1 13 . 1 1 104 104 PRO CA C 104 61.704 61.704 62.739 -1.034 19354 8985 1 13 . 1 1 104 104 PRO CB C 104 32.020 32.020 32.612 -0.592 19354 8986 1 13 . 1 1 105 105 SER N N 105 113.955 113.955 118.523 -4.568 19354 8987 1 13 . 1 1 105 105 SER HA H 105 4.632 4.632 4.509 0.123 19354 8988 1 13 . 1 1 105 105 SER C C 105 175.473 175.473 176.377 -0.904 19354 8989 1 13 . 1 1 105 105 SER CA C 105 56.324 56.324 58.437 -2.113 19354 8990 1 13 . 1 1 105 105 SER CB C 105 65.193 65.193 64.461 0.732 19354 8991 1 13 . 1 1 105 105 SER H H 105 7.668 7.668 8.209 -0.541 19354 8992 1 13 . 1 1 106 106 TYR N N 106 122.582 122.582 121.226 1.356 19354 8993 1 13 . 1 1 106 106 TYR HA H 106 3.724 3.724 4.223 -0.499 19354 8994 1 13 . 1 1 106 106 TYR C C 106 178.116 178.116 177.722 0.394 19354 8995 1 13 . 1 1 106 106 TYR CA C 106 62.057 62.057 60.659 1.398 19354 8996 1 13 . 1 1 106 106 TYR CB C 106 37.925 37.925 37.736 0.189 19354 8997 1 13 . 1 1 106 106 TYR H H 106 8.492 8.492 9.142 -0.650 19354 8998 1 13 . 1 1 107 107 GLU N N 107 118.362 118.362 119.364 -1.002 19354 8999 1 13 . 1 1 107 107 GLU HA H 107 3.846 3.846 3.546 0.300 19354 9000 1 13 . 1 1 107 107 GLU C C 107 177.421 177.421 178.563 -1.142 19354 9001 1 13 . 1 1 107 107 GLU CA C 107 58.867 58.867 59.254 -0.387 19354 9002 1 13 . 1 1 107 107 GLU CB C 107 28.969 28.969 28.720 0.249 19354 9003 1 13 . 1 1 107 107 GLU H H 107 8.503 8.503 8.005 0.498 19354 9004 1 13 . 1 1 108 108 MET N N 108 116.221 116.221 117.185 -0.964 19354 9005 1 13 . 1 1 108 108 MET HA H 108 3.708 3.708 3.919 -0.211 19354 9006 1 13 . 1 1 108 108 MET C C 108 176.804 176.804 177.451 -0.647 19354 9007 1 13 . 1 1 108 108 MET CA C 108 58.648 58.648 58.044 0.604 19354 9008 1 13 . 1 1 108 108 MET CB C 108 33.058 33.058 31.430 1.628 19354 9009 1 13 . 1 1 108 108 MET H H 108 7.409 7.409 7.788 -0.379 19354 9010 1 13 . 1 1 109 109 CYS N N 109 114.131 114.131 116.014 -1.883 19354 9011 1 13 . 1 1 109 109 CYS HA H 109 3.857 3.857 3.037 0.820 19354 9012 1 13 . 1 1 109 109 CYS C C 109 178.047 178.047 177.117 0.930 19354 9013 1 13 . 1 1 109 109 CYS CA C 109 58.737 58.737 59.041 -0.304 19354 9014 1 13 . 1 1 109 109 CYS CB C 109 35.006 35.006 26.458 8.548 19354 9015 1 13 . 1 1 109 109 CYS H H 109 6.817 6.817 7.439 -0.622 19354 9016 1 13 . 1 1 110 110 ARG N N 110 124.629 124.629 122.066 2.563 19354 9017 1 13 . 1 1 110 110 ARG HA H 110 3.376 3.376 4.024 -0.648 19354 9018 1 13 . 1 1 110 110 ARG C C 110 179.435 179.435 177.608 1.827 19354 9019 1 13 . 1 1 110 110 ARG CA C 110 59.641 59.641 58.480 1.161 19354 9020 1 13 . 1 1 110 110 ARG CB C 110 29.273 29.273 29.218 0.055 19354 9021 1 13 . 1 1 110 110 ARG H H 110 8.885 8.885 7.620 1.265 19354 9022 1 13 . 1 1 111 111 ILE N N 111 113.379 113.379 116.628 -3.249 19354 9023 1 13 . 1 1 111 111 ILE HA H 111 3.796 3.796 3.767 0.029 19354 9024 1 13 . 1 1 111 111 ILE C C 111 175.624 175.624 177.093 -1.469 19354 9025 1 13 . 1 1 111 111 ILE CA C 111 63.811 63.811 63.586 0.225 19354 9026 1 13 . 1 1 111 111 ILE CB C 111 38.229 38.229 36.401 1.828 19354 9027 1 13 . 1 1 111 111 ILE H H 111 7.422 7.422 7.785 -0.363 19354 9028 1 13 . 1 1 112 112 THR N N 112 109.403 109.403 107.838 1.565 19354 9029 1 13 . 1 1 112 112 THR HA H 112 3.889 3.889 4.333 -0.444 19354 9030 1 13 . 1 1 112 112 THR C C 112 175.798 175.798 176.115 -0.317 19354 9031 1 13 . 1 1 112 112 THR CA C 112 62.856 62.856 63.750 -0.894 19354 9032 1 13 . 1 1 112 112 THR CB C 112 70.168 70.168 69.824 0.344 19354 9033 1 13 . 1 1 112 112 THR H H 112 7.574 7.574 7.349 0.225 19354 9034 1 13 . 1 1 113 113 MET N N 113 119.638 119.638 122.141 -2.503 19354 9035 1 13 . 1 1 113 113 MET HA H 113 3.541 3.541 4.365 -0.824 19354 9036 1 13 . 1 1 113 113 MET C C 113 177.174 177.174 177.940 -0.766 19354 9037 1 13 . 1 1 113 113 MET CA C 113 60.235 60.235 59.148 1.087 19354 9038 1 13 . 1 1 113 113 MET CB C 113 32.338 32.338 32.616 -0.278 19354 9039 1 13 . 1 1 113 113 MET H H 113 7.152 7.152 7.915 -0.763 19354 9040 1 13 . 1 1 114 114 GLU N N 114 117.224 117.224 119.651 -2.427 19354 9041 1 13 . 1 1 114 114 GLU HA H 114 4.114 4.114 4.109 0.005 19354 9042 1 13 . 1 1 114 114 GLU CA C 114 60.422 60.422 61.471 -1.049 19354 9043 1 13 . 1 1 114 114 GLU CB C 114 26.103 26.103 28.135 -2.032 19354 9044 1 13 . 1 1 114 114 GLU H H 114 8.580 8.580 7.708 0.872 19354 9045 1 13 . 1 1 115 115 PRO HA H 115 4.304 4.304 4.395 -0.091 19354 9046 1 13 . 1 1 115 115 PRO CA C 115 65.128 65.128 64.298 0.830 19354 9047 1 13 . 1 1 115 115 PRO CB C 115 31.141 31.141 31.945 -0.804 19354 9048 1 13 . 1 1 116 116 CYS N N 116 111.879 111.879 121.540 -9.661 19354 9049 1 13 . 1 1 116 116 CYS HA H 116 4.679 4.679 4.871 -0.192 19354 9050 1 13 . 1 1 116 116 CYS C C 116 174.808 174.808 175.730 -0.922 19354 9051 1 13 . 1 1 116 116 CYS CA C 116 54.060 54.060 57.845 -3.785 19354 9052 1 13 . 1 1 116 116 CYS CB C 116 42.879 42.879 25.645 17.234 19354 9053 1 13 . 1 1 116 116 CYS H H 116 7.208 7.208 8.106 -0.898 19354 9054 1 13 . 1 1 117 117 ARG N N 117 123.750 123.750 123.638 0.112 19354 9055 1 13 . 1 1 117 117 ARG HA H 117 3.161 3.161 4.265 -1.104 19354 9056 1 13 . 1 1 117 117 ARG C C 117 178.210 178.210 176.920 1.290 19354 9057 1 13 . 1 1 117 117 ARG CA C 117 59.743 59.743 58.928 0.814 19354 9058 1 13 . 1 1 117 117 ARG CB C 117 29.486 29.486 30.180 -0.694 19354 9059 1 13 . 1 1 117 117 ARG H H 117 7.436 7.436 7.810 -0.374 19354 9060 1 13 . 1 1 118 118 ILE N N 118 116.384 116.384 117.290 -0.906 19354 9061 1 13 . 1 1 118 118 ILE HA H 118 4.000 4.000 3.599 0.401 19354 9062 1 13 . 1 1 118 118 ILE C C 118 176.577 176.577 176.510 0.067 19354 9063 1 13 . 1 1 118 118 ILE CA C 118 63.166 63.166 62.565 0.601 19354 9064 1 13 . 1 1 118 118 ILE CB C 118 37.781 37.781 36.314 1.467 19354 9065 1 13 . 1 1 118 118 ILE H H 118 8.130 8.130 7.986 0.144 19354 9066 1 13 . 1 1 119 119 LEU N N 119 119.738 119.738 118.083 1.655 19354 9067 1 13 . 1 1 119 119 LEU HA H 119 4.540 4.540 4.193 0.347 19354 9068 1 13 . 1 1 119 119 LEU C C 119 178.346 178.346 177.216 1.130 19354 9069 1 13 . 1 1 119 119 LEU CA C 119 54.697 54.697 53.562 1.135 19354 9070 1 13 . 1 1 119 119 LEU CB C 119 42.872 42.872 40.183 2.689 19354 9071 1 13 . 1 1 119 119 LEU H H 119 7.771 7.771 7.373 0.398 19354 9072 1 13 . 1 1 120 120 TYR N N 120 121.945 121.945 116.533 5.412 19354 9073 1 13 . 1 1 120 120 TYR HA H 120 4.125 4.125 4.177 -0.052 19354 9074 1 13 . 1 1 120 120 TYR C C 120 176.169 176.169 176.140 0.029 19354 9075 1 13 . 1 1 120 120 TYR CA C 120 59.682 59.682 59.376 0.306 19354 9076 1 13 . 1 1 120 120 TYR CB C 120 37.180 37.180 37.869 -0.689 19354 9077 1 13 . 1 1 120 120 TYR H H 120 7.886 7.886 7.074 0.812 19354 9078 1 13 . 1 1 121 121 ASN N N 121 115.992 115.992 110.245 5.747 19354 9079 1 13 . 1 1 121 121 ASN HA H 121 4.885 4.885 4.661 0.224 19354 9080 1 13 . 1 1 121 121 ASN C C 121 175.612 175.612 175.024 0.588 19354 9081 1 13 . 1 1 121 121 ASN CA C 121 52.670 52.670 53.171 -0.501 19354 9082 1 13 . 1 1 121 121 ASN CB C 121 38.058 38.058 38.417 -0.359 19354 9083 1 13 . 1 1 121 121 ASN H H 121 8.228 8.228 8.097 0.131 19354 9084 1 13 . 1 1 122 122 THR N N 122 109.094 109.094 116.779 -7.685 19354 9085 1 13 . 1 1 122 122 THR HA H 122 4.682 4.682 4.391 0.291 19354 9086 1 13 . 1 1 122 122 THR C C 122 175.844 175.844 174.504 1.340 19354 9087 1 13 . 1 1 122 122 THR CA C 122 61.815 61.815 62.778 -0.963 19354 9088 1 13 . 1 1 122 122 THR CB C 122 72.484 72.484 69.876 2.607 19354 9089 1 13 . 1 1 122 122 THR H H 122 7.649 7.649 8.293 -0.644 19354 9090 1 13 . 1 1 123 123 THR N N 123 112.067 112.067 115.594 -3.527 19354 9091 1 13 . 1 1 123 123 THR HA H 123 4.026 4.026 4.668 -0.642 19354 9092 1 13 . 1 1 123 123 THR C C 123 175.033 175.033 173.453 1.580 19354 9093 1 13 . 1 1 123 123 THR CA C 123 63.174 63.174 61.400 1.774 19354 9094 1 13 . 1 1 123 123 THR CB C 123 68.529 68.529 67.923 0.606 19354 9095 1 13 . 1 1 123 123 THR H H 123 8.261 8.261 8.433 -0.172 19354 9096 1 13 . 1 1 124 124 PHE N N 124 118.139 118.139 126.435 -8.296 19354 9097 1 13 . 1 1 124 124 PHE HA H 124 4.153 4.153 4.467 -0.314 19354 9098 1 13 . 1 1 124 124 PHE C C 124 175.398 175.398 174.138 1.260 19354 9099 1 13 . 1 1 124 124 PHE CA C 124 59.890 59.890 57.867 2.023 19354 9100 1 13 . 1 1 124 124 PHE CB C 124 39.668 39.668 40.198 -0.530 19354 9101 1 13 . 1 1 124 124 PHE H H 124 7.764 7.764 8.551 -0.787 19354 9102 1 13 . 1 1 125 125 PHE N N 125 118.447 118.447 119.716 -1.269 19354 9103 1 13 . 1 1 125 125 PHE HA H 125 4.662 4.662 4.739 -0.077 19354 9104 1 13 . 1 1 125 125 PHE CA C 125 56.245 56.245 54.445 1.800 19354 9105 1 13 . 1 1 125 125 PHE CB C 125 38.810 38.810 39.657 -0.847 19354 9106 1 13 . 1 1 125 125 PHE H H 125 7.670 7.670 7.832 -0.162 19354 9107 1 13 . 1 1 126 126 PRO HA H 126 4.398 4.398 4.645 -0.247 19354 9108 1 13 . 1 1 126 126 PRO CA C 126 62.432 62.432 62.582 -0.150 19354 9109 1 13 . 1 1 126 126 PRO CB C 126 32.670 32.670 32.467 0.203 19354 9110 1 13 . 1 1 127 127 LYS N N 127 118.753 118.753 119.002 -0.249 19354 9111 1 13 . 1 1 127 127 LYS HA H 127 3.580 3.580 4.129 -0.549 19354 9112 1 13 . 1 1 127 127 LYS C C 127 177.977 177.977 178.613 -0.636 19354 9113 1 13 . 1 1 127 127 LYS CA C 127 60.279 60.279 58.408 1.871 19354 9114 1 13 . 1 1 127 127 LYS CB C 127 31.599 31.599 31.238 0.362 19354 9115 1 13 . 1 1 127 127 LYS H H 127 8.565 8.565 8.735 -0.170 19354 9116 1 13 . 1 1 128 128 PHE N N 128 110.638 110.638 120.112 -9.474 19354 9117 1 13 . 1 1 128 128 PHE HA H 128 4.481 4.481 4.324 0.157 19354 9118 1 13 . 1 1 128 128 PHE C C 128 173.946 173.946 176.304 -2.358 19354 9119 1 13 . 1 1 128 128 PHE CA C 128 57.841 57.841 60.371 -2.530 19354 9120 1 13 . 1 1 128 128 PHE CB C 128 36.807 36.807 38.791 -1.984 19354 9121 1 13 . 1 1 128 128 PHE H H 128 6.795 6.795 8.002 -1.207 19354 9122 1 13 . 1 1 129 129 LEU N N 129 119.653 119.653 120.060 -0.407 19354 9123 1 13 . 1 1 129 129 LEU HA H 129 4.710 4.710 3.507 1.203 19354 9124 1 13 . 1 1 129 129 LEU C C 129 175.398 175.398 176.743 -1.345 19354 9125 1 13 . 1 1 129 129 LEU CA C 129 53.169 53.169 56.287 -3.118 19354 9126 1 13 . 1 1 129 129 LEU CB C 129 44.901 44.901 42.300 2.602 19354 9127 1 13 . 1 1 129 129 LEU H H 129 7.204 7.204 7.535 -0.331 19354 9128 1 13 . 1 1 130 130 ARG N N 130 116.807 116.807 115.856 0.951 19354 9129 1 13 . 1 1 130 130 ARG HA H 130 4.328 4.328 4.019 0.309 19354 9130 1 13 . 1 1 130 130 ARG C C 130 177.099 177.099 174.202 2.897 19354 9131 1 13 . 1 1 130 130 ARG CA C 130 55.250 55.250 56.579 -1.329 19354 9132 1 13 . 1 1 130 130 ARG CB C 130 30.355 30.355 28.088 2.267 19354 9133 1 13 . 1 1 130 130 ARG H H 130 7.090 7.090 8.498 -1.408 19354 9134 1 13 . 1 1 131 131 CYS N N 131 117.271 117.271 114.278 2.993 19354 9135 1 13 . 1 1 131 131 CYS HA H 131 4.588 4.588 4.838 -0.250 19354 9136 1 13 . 1 1 131 131 CYS C C 131 175.022 175.022 172.830 2.192 19354 9137 1 13 . 1 1 131 131 CYS CA C 131 54.449 54.449 55.727 -1.278 19354 9138 1 13 . 1 1 131 131 CYS CB C 131 34.958 34.958 30.830 4.128 19354 9139 1 13 . 1 1 131 131 CYS H H 131 8.210 8.210 8.094 0.116 19354 9140 1 13 . 1 1 132 132 ASN N N 132 120.232 120.232 120.365 -0.133 19354 9141 1 13 . 1 1 132 132 ASN HA H 132 4.811 4.811 4.465 0.346 19354 9142 1 13 . 1 1 132 132 ASN C C 132 175.080 175.080 175.456 -0.376 19354 9143 1 13 . 1 1 132 132 ASN CA C 132 53.188 53.188 53.784 -0.596 19354 9144 1 13 . 1 1 132 132 ASN CB C 132 40.003 40.003 38.816 1.187 19354 9145 1 13 . 1 1 132 132 ASN H H 132 7.801 7.801 8.569 -0.768 19354 9146 1 13 . 1 1 133 133 GLU N N 133 123.435 123.435 121.289 2.146 19354 9147 1 13 . 1 1 133 133 GLU HA H 133 4.225 4.225 4.363 -0.138 19354 9148 1 13 . 1 1 133 133 GLU C C 133 176.447 176.447 176.607 -0.160 19354 9149 1 13 . 1 1 133 133 GLU CA C 133 57.928 57.928 58.009 -0.081 19354 9150 1 13 . 1 1 133 133 GLU CB C 133 29.822 29.822 31.055 -1.233 19354 9151 1 13 . 1 1 133 133 GLU H H 133 9.086 9.086 8.550 0.536 19354 9152 1 13 . 1 1 134 134 THR N N 134 113.403 113.403 112.089 1.314 19354 9153 1 13 . 1 1 134 134 THR HA H 134 3.964 3.964 4.201 -0.237 19354 9154 1 13 . 1 1 134 134 THR C C 134 174.853 174.853 174.615 0.238 19354 9155 1 13 . 1 1 134 134 THR CA C 134 63.694 63.694 62.242 1.452 19354 9156 1 13 . 1 1 134 134 THR CB C 134 68.841 68.841 68.677 0.164 19354 9157 1 13 . 1 1 134 134 THR H H 134 8.067 8.067 7.974 0.093 19354 9158 1 13 . 1 1 135 135 LEU N N 135 121.377 121.377 120.622 0.755 19354 9159 1 13 . 1 1 135 135 LEU HA H 135 3.964 3.964 4.420 -0.456 19354 9160 1 13 . 1 1 135 135 LEU C C 135 176.215 176.215 175.762 0.453 19354 9161 1 13 . 1 1 135 135 LEU CA C 135 55.656 55.656 55.098 0.558 19354 9162 1 13 . 1 1 135 135 LEU CB C 135 42.291 42.291 42.069 0.222 19354 9163 1 13 . 1 1 135 135 LEU H H 135 7.448 7.448 7.554 -0.106 19354 9164 1 13 . 1 1 136 136 PHE N N 136 117.704 117.704 113.750 3.954 19354 9165 1 13 . 1 1 136 136 PHE HA H 136 5.202 5.202 4.285 0.917 19354 9166 1 13 . 1 1 136 136 PHE C C 136 179.412 179.412 174.218 5.194 19354 9167 1 13 . 1 1 136 136 PHE CA C 136 53.495 53.495 57.303 -3.808 19354 9168 1 13 . 1 1 136 136 PHE CB C 136 39.248 39.248 36.455 2.793 19354 9169 1 13 . 1 1 136 136 PHE H H 136 7.542 7.542 7.418 0.124 19354 9170 1 13 . 1 1 137 137 PRO HA H 137 4.528 4.528 4.322 0.206 19354 9171 1 13 . 1 1 137 137 PRO CA C 137 62.949 62.949 64.648 -1.699 19354 9172 1 13 . 1 1 137 137 PRO CB C 137 32.242 32.242 32.050 0.192 19354 9173 1 13 . 1 1 138 138 THR N N 138 114.025 114.025 112.790 1.235 19354 9174 1 13 . 1 1 138 138 THR HA H 138 4.324 4.324 3.930 0.394 19354 9175 1 13 . 1 1 138 138 THR C C 138 174.175 174.175 174.771 -0.596 19354 9176 1 13 . 1 1 138 138 THR CA C 138 61.863 61.863 64.539 -2.676 19354 9177 1 13 . 1 1 138 138 THR CB C 138 69.742 69.742 68.185 1.557 19354 9178 1 13 . 1 1 138 138 THR H H 138 8.452 8.452 8.142 0.310 19354 9179 1 14 . 1 1 13 13 GLY N N 13 110.400 110.400 111.147 -0.747 19354 9180 1 14 . 1 1 13 13 GLY C C 13 173.560 173.560 172.403 1.157 19354 9181 1 14 . 1 1 13 13 GLY CA C 13 45.111 45.111 45.241 -0.130 19354 9182 1 14 . 1 1 13 13 GLY H H 13 8.335 8.335 8.078 0.257 19354 9183 1 14 . 1 1 14 14 LEU N N 14 121.222 121.222 119.279 1.943 19354 9184 1 14 . 1 1 14 14 LEU HA H 14 4.378 4.378 4.919 -0.541 19354 9185 1 14 . 1 1 14 14 LEU C C 14 177.119 177.119 174.870 2.249 19354 9186 1 14 . 1 1 14 14 LEU CA C 14 54.838 54.838 53.657 1.181 19354 9187 1 14 . 1 1 14 14 LEU CB C 14 42.429 42.429 45.799 -3.370 19354 9188 1 14 . 1 1 14 14 LEU H H 14 7.915 7.915 7.367 0.548 19354 9189 1 14 . 1 1 15 15 VAL N N 15 123.222 123.222 121.416 1.806 19354 9190 1 14 . 1 1 15 15 VAL HA H 15 4.335 4.335 4.492 -0.157 19354 9191 1 14 . 1 1 15 15 VAL C C 15 175.602 175.602 175.320 0.282 19354 9192 1 14 . 1 1 15 15 VAL CA C 15 59.375 59.375 58.634 0.741 19354 9193 1 14 . 1 1 15 15 VAL CB C 15 33.197 33.197 34.052 -0.855 19354 9194 1 14 . 1 1 15 15 VAL H H 15 8.297 8.297 8.526 -0.229 19354 9195 1 14 . 1 1 16 16 PRO HA H 16 4.379 4.379 4.410 -0.031 19354 9196 1 14 . 1 1 16 16 PRO CA C 16 62.925 62.925 64.403 -1.478 19354 9197 1 14 . 1 1 16 16 PRO CB C 16 32.043 32.043 31.625 0.418 19354 9198 1 14 . 1 1 17 17 ARG N N 17 122.742 122.742 118.167 4.575 19354 9199 1 14 . 1 1 17 17 ARG HA H 17 4.219 4.219 4.085 0.134 19354 9200 1 14 . 1 1 17 17 ARG C C 17 176.586 176.586 177.751 -1.165 19354 9201 1 14 . 1 1 17 17 ARG CA C 17 55.479 55.479 58.042 -2.563 19354 9202 1 14 . 1 1 17 17 ARG CB C 17 30.889 30.889 29.987 0.902 19354 9203 1 14 . 1 1 17 17 ARG H H 17 8.469 8.469 7.998 0.471 19354 9204 1 14 . 1 1 18 18 GLY N N 18 111.993 111.993 106.625 5.368 19354 9205 1 14 . 1 1 18 18 GLY C C 18 174.453 174.453 174.063 0.390 19354 9206 1 14 . 1 1 18 18 GLY CA C 18 45.670 45.670 44.718 0.952 19354 9207 1 14 . 1 1 18 18 GLY H H 18 8.538 8.538 7.812 0.726 19354 9208 1 14 . 1 1 19 19 SER HA H 19 4.318 4.318 4.233 0.085 19354 9209 1 14 . 1 1 19 19 SER CA C 19 58.480 58.480 58.365 0.114 19354 9210 1 14 . 1 1 19 19 SER CB C 19 63.535 63.535 63.436 0.099 19354 9211 1 14 . 1 1 20 20 HIS N N 20 120.039 120.039 125.529 -5.490 19354 9212 1 14 . 1 1 20 20 HIS HA H 20 4.678 4.678 4.505 0.173 19354 9213 1 14 . 1 1 20 20 HIS C C 20 174.263 174.263 174.295 -0.032 19354 9214 1 14 . 1 1 20 20 HIS CA C 20 55.889 55.889 56.537 -0.648 19354 9215 1 14 . 1 1 20 20 HIS CB C 20 32.027 32.027 28.035 3.992 19354 9216 1 14 . 1 1 20 20 HIS H H 20 8.344 8.344 9.002 -0.658 19354 9217 1 14 . 1 1 21 21 MET N N 21 120.453 120.453 118.163 2.290 19354 9218 1 14 . 1 1 21 21 MET HA H 21 4.676 4.676 4.712 -0.036 19354 9219 1 14 . 1 1 21 21 MET C C 21 174.808 174.808 174.457 0.351 19354 9220 1 14 . 1 1 21 21 MET CA C 21 54.232 54.232 55.264 -1.032 19354 9221 1 14 . 1 1 21 21 MET CB C 21 32.377 32.377 34.582 -2.205 19354 9222 1 14 . 1 1 21 21 MET H H 21 8.587 8.587 8.265 0.322 19354 9223 1 14 . 1 1 22 22 VAL N N 22 112.794 112.794 117.256 -4.462 19354 9224 1 14 . 1 1 22 22 VAL HA H 22 5.297 5.297 5.007 0.290 19354 9225 1 14 . 1 1 22 22 VAL C C 22 175.218 175.218 174.188 1.030 19354 9226 1 14 . 1 1 22 22 VAL CA C 22 57.885 57.885 59.629 -1.744 19354 9227 1 14 . 1 1 22 22 VAL CB C 22 35.895 35.895 35.403 0.492 19354 9228 1 14 . 1 1 22 22 VAL H H 22 7.805 7.805 7.305 0.500 19354 9229 1 14 . 1 1 23 23 ARG N N 23 117.854 117.854 120.769 -2.915 19354 9230 1 14 . 1 1 23 23 ARG HA H 23 4.578 4.578 4.693 -0.115 19354 9231 1 14 . 1 1 23 23 ARG C C 23 174.128 174.128 174.618 -0.490 19354 9232 1 14 . 1 1 23 23 ARG CA C 23 54.192 54.192 55.145 -0.952 19354 9233 1 14 . 1 1 23 23 ARG CB C 23 34.757 34.757 33.445 1.312 19354 9234 1 14 . 1 1 23 23 ARG H H 23 8.430 8.430 7.932 0.498 19354 9235 1 14 . 1 1 24 24 ARG N N 24 124.928 124.928 124.688 0.240 19354 9236 1 14 . 1 1 24 24 ARG HA H 24 4.619 4.619 4.484 0.135 19354 9237 1 14 . 1 1 24 24 ARG C C 24 176.265 176.265 175.753 0.512 19354 9238 1 14 . 1 1 24 24 ARG CA C 24 57.824 57.824 56.505 1.319 19354 9239 1 14 . 1 1 24 24 ARG CB C 24 29.913 29.913 28.172 1.740 19354 9240 1 14 . 1 1 24 24 ARG H H 24 8.569 8.569 8.682 -0.113 19354 9241 1 14 . 1 1 25 25 ALA N N 25 127.390 127.390 125.286 2.104 19354 9242 1 14 . 1 1 25 25 ALA HA H 25 4.379 4.379 4.540 -0.161 19354 9243 1 14 . 1 1 25 25 ALA C C 25 174.173 174.173 176.481 -2.308 19354 9244 1 14 . 1 1 25 25 ALA CA C 25 51.382 51.382 50.837 0.544 19354 9245 1 14 . 1 1 25 25 ALA CB C 25 23.050 23.050 20.655 2.395 19354 9246 1 14 . 1 1 25 25 ALA H H 25 8.082 8.082 7.962 0.120 19354 9247 1 14 . 1 1 26 26 ARG N N 26 116.820 116.820 118.415 -1.595 19354 9248 1 14 . 1 1 26 26 ARG HA H 26 4.692 4.692 4.492 0.200 19354 9249 1 14 . 1 1 26 26 ARG C C 26 177.847 177.847 174.934 2.913 19354 9250 1 14 . 1 1 26 26 ARG CA C 26 55.271 55.271 56.093 -0.822 19354 9251 1 14 . 1 1 26 26 ARG CB C 26 31.215 31.215 31.724 -0.509 19354 9252 1 14 . 1 1 26 26 ARG H H 26 8.133 8.133 8.463 -0.330 19354 9253 1 14 . 1 1 27 27 CYS N N 27 126.567 126.567 119.143 7.424 19354 9254 1 14 . 1 1 27 27 CYS HA H 27 5.732 5.732 5.403 0.329 19354 9255 1 14 . 1 1 27 27 CYS C C 27 175.288 175.288 174.047 1.241 19354 9256 1 14 . 1 1 27 27 CYS CA C 27 51.785 51.785 57.514 -5.729 19354 9257 1 14 . 1 1 27 27 CYS CB C 27 38.246 38.246 29.895 8.351 19354 9258 1 14 . 1 1 27 27 CYS H H 27 9.709 9.709 8.511 1.198 19354 9259 1 14 . 1 1 28 28 TYR N N 28 120.309 120.309 121.002 -0.693 19354 9260 1 14 . 1 1 28 28 TYR HA H 28 5.079 5.079 5.063 0.016 19354 9261 1 14 . 1 1 28 28 TYR CA C 28 54.951 54.951 54.575 0.376 19354 9262 1 14 . 1 1 28 28 TYR CB C 28 39.807 39.807 39.014 0.793 19354 9263 1 14 . 1 1 28 28 TYR H H 28 8.870 8.870 9.036 -0.166 19354 9264 1 14 . 1 1 29 29 PRO HA H 29 4.836 4.836 4.737 0.099 19354 9265 1 14 . 1 1 29 29 PRO CA C 29 61.773 61.773 62.929 -1.156 19354 9266 1 14 . 1 1 29 29 PRO CB C 29 31.173 31.173 31.844 -0.671 19354 9267 1 14 . 1 1 30 30 THR N N 30 115.177 115.177 119.179 -4.002 19354 9268 1 14 . 1 1 30 30 THR HA H 30 4.253 4.253 4.314 -0.061 19354 9269 1 14 . 1 1 30 30 THR C C 30 173.688 173.688 175.445 -1.757 19354 9270 1 14 . 1 1 30 30 THR CA C 30 61.324 61.324 63.491 -2.167 19354 9271 1 14 . 1 1 30 30 THR CB C 30 70.191 70.191 69.244 0.947 19354 9272 1 14 . 1 1 30 30 THR H H 30 7.978 7.978 8.658 -0.680 19354 9273 1 14 . 1 1 31 31 SER N N 31 116.822 116.822 114.325 2.497 19354 9274 1 14 . 1 1 31 31 SER HA H 31 4.702 4.702 4.746 -0.044 19354 9275 1 14 . 1 1 31 31 SER C C 31 175.079 175.079 174.339 0.740 19354 9276 1 14 . 1 1 31 31 SER CA C 31 57.057 57.057 56.626 0.431 19354 9277 1 14 . 1 1 31 31 SER CB C 31 66.020 66.020 64.954 1.066 19354 9278 1 14 . 1 1 31 31 SER H H 31 8.451 8.451 8.071 0.380 19354 9279 1 14 . 1 1 32 32 ASN N N 32 118.803 118.803 119.415 -0.612 19354 9280 1 14 . 1 1 32 32 ASN HA H 32 4.385 4.385 4.485 -0.100 19354 9281 1 14 . 1 1 32 32 ASN C C 32 175.705 175.705 176.305 -0.600 19354 9282 1 14 . 1 1 32 32 ASN CA C 32 55.564 55.564 55.573 -0.009 19354 9283 1 14 . 1 1 32 32 ASN CB C 32 37.637 37.637 38.551 -0.914 19354 9284 1 14 . 1 1 32 32 ASN H H 32 8.802 8.802 8.812 -0.010 19354 9285 1 14 . 1 1 33 33 ALA N N 33 118.571 118.571 120.132 -1.561 19354 9286 1 14 . 1 1 33 33 ALA HA H 33 4.262 4.262 4.419 -0.157 19354 9287 1 14 . 1 1 33 33 ALA C C 33 179.229 179.229 177.079 2.150 19354 9288 1 14 . 1 1 33 33 ALA CA C 33 53.087 53.087 53.512 -0.425 19354 9289 1 14 . 1 1 33 33 ALA CB C 33 19.563 19.563 19.578 -0.015 19354 9290 1 14 . 1 1 33 33 ALA H H 33 8.004 8.004 7.830 0.174 19354 9291 1 14 . 1 1 34 34 THR N N 34 106.312 106.312 111.134 -4.822 19354 9292 1 14 . 1 1 34 34 THR HA H 34 4.581 4.581 4.275 0.306 19354 9293 1 14 . 1 1 34 34 THR C C 34 175.334 175.334 173.136 2.198 19354 9294 1 14 . 1 1 34 34 THR CA C 34 60.586 60.586 61.427 -0.841 19354 9295 1 14 . 1 1 34 34 THR CB C 34 70.195 70.195 69.918 0.277 19354 9296 1 14 . 1 1 34 34 THR H H 34 7.551 7.551 7.419 0.132 19354 9297 1 14 . 1 1 35 35 ASN N N 35 122.599 122.599 124.852 -2.253 19354 9298 1 14 . 1 1 35 35 ASN HA H 35 4.528 4.528 4.490 0.038 19354 9299 1 14 . 1 1 35 35 ASN C C 35 174.221 174.221 174.169 0.052 19354 9300 1 14 . 1 1 35 35 ASN CA C 35 52.790 52.790 54.473 -1.683 19354 9301 1 14 . 1 1 35 35 ASN CB C 35 36.768 36.768 39.563 -2.795 19354 9302 1 14 . 1 1 35 35 ASN H H 35 7.897 7.897 8.458 -0.561 19354 9303 1 14 . 1 1 36 36 THR N N 36 107.151 107.151 115.174 -8.023 19354 9304 1 14 . 1 1 36 36 THR HA H 36 4.979 4.979 4.535 0.444 19354 9305 1 14 . 1 1 36 36 THR C C 36 173.651 173.651 172.962 0.689 19354 9306 1 14 . 1 1 36 36 THR CA C 36 59.011 59.011 61.065 -2.054 19354 9307 1 14 . 1 1 36 36 THR CB C 36 72.745 72.745 70.293 2.452 19354 9308 1 14 . 1 1 36 36 THR H H 36 7.490 7.490 8.439 -0.949 19354 9309 1 14 . 1 1 37 37 CYS N N 37 118.809 118.809 126.896 -8.087 19354 9310 1 14 . 1 1 37 37 CYS HA H 37 4.095 4.095 4.892 -0.797 19354 9311 1 14 . 1 1 37 37 CYS C C 37 173.688 173.688 174.344 -0.656 19354 9312 1 14 . 1 1 37 37 CYS CA C 37 55.634 55.634 57.425 -1.791 19354 9313 1 14 . 1 1 37 37 CYS CB C 37 45.854 45.854 27.101 18.753 19354 9314 1 14 . 1 1 37 37 CYS H H 37 8.632 8.632 8.322 0.310 19354 9315 1 14 . 1 1 38 38 PHE N N 38 128.190 128.190 127.223 0.967 19354 9316 1 14 . 1 1 38 38 PHE HA H 38 4.275 4.275 4.235 0.040 19354 9317 1 14 . 1 1 38 38 PHE C C 38 176.261 176.261 175.547 0.714 19354 9318 1 14 . 1 1 38 38 PHE CA C 38 59.067 59.067 58.377 0.690 19354 9319 1 14 . 1 1 38 38 PHE CB C 38 36.576 36.576 36.901 -0.325 19354 9320 1 14 . 1 1 38 38 PHE H H 38 9.018 9.018 9.499 -0.481 19354 9321 1 14 . 1 1 39 39 GLY N N 39 104.504 104.504 103.886 0.618 19354 9322 1 14 . 1 1 39 39 GLY C C 39 174.173 174.173 174.560 -0.387 19354 9323 1 14 . 1 1 39 39 GLY CA C 39 45.112 45.112 45.041 0.071 19354 9324 1 14 . 1 1 39 39 GLY H H 39 8.566 8.566 8.402 0.164 19354 9325 1 14 . 1 1 40 40 SER N N 40 116.201 116.201 119.874 -3.673 19354 9326 1 14 . 1 1 40 40 SER HA H 40 4.529 4.529 4.543 -0.014 19354 9327 1 14 . 1 1 40 40 SER C C 40 173.873 173.873 174.364 -0.491 19354 9328 1 14 . 1 1 40 40 SER CA C 40 57.436 57.436 57.668 -0.232 19354 9329 1 14 . 1 1 40 40 SER CB C 40 63.718 63.718 62.891 0.827 19354 9330 1 14 . 1 1 40 40 SER H H 40 7.533 7.533 8.159 -0.626 19354 9331 1 14 . 1 1 41 41 LYS N N 41 127.456 127.456 127.234 0.222 19354 9332 1 14 . 1 1 41 41 LYS HA H 41 4.056 4.056 4.173 -0.117 19354 9333 1 14 . 1 1 41 41 LYS C C 41 176.632 176.632 176.396 0.236 19354 9334 1 14 . 1 1 41 41 LYS CA C 41 56.409 56.409 57.156 -0.747 19354 9335 1 14 . 1 1 41 41 LYS CB C 41 32.169 32.169 32.376 -0.207 19354 9336 1 14 . 1 1 41 41 LYS H H 41 8.768 8.768 8.172 0.596 19354 9337 1 14 . 1 1 42 42 LEU N N 42 128.016 128.016 126.677 1.339 19354 9338 1 14 . 1 1 42 42 LEU HA H 42 4.120 4.120 4.198 -0.078 19354 9339 1 14 . 1 1 42 42 LEU CA C 42 52.010 52.010 51.646 0.364 19354 9340 1 14 . 1 1 42 42 LEU CB C 42 40.680 40.680 40.467 0.213 19354 9341 1 14 . 1 1 42 42 LEU H H 42 8.304 8.304 8.363 -0.059 19354 9342 1 14 . 1 1 43 43 PRO HA H 43 4.453 4.453 4.177 0.276 19354 9343 1 14 . 1 1 43 43 PRO CA C 43 62.807 62.807 63.720 -0.913 19354 9344 1 14 . 1 1 43 43 PRO CB C 43 29.625 29.625 31.696 -2.071 19354 9345 1 14 . 1 1 44 44 TYR N N 44 116.871 116.871 114.280 2.591 19354 9346 1 14 . 1 1 44 44 TYR HA H 44 4.689 4.689 4.799 -0.110 19354 9347 1 14 . 1 1 44 44 TYR C C 44 175.239 175.239 175.321 -0.082 19354 9348 1 14 . 1 1 44 44 TYR CA C 44 53.718 53.718 54.894 -1.176 19354 9349 1 14 . 1 1 44 44 TYR CB C 44 38.637 38.637 39.888 -1.251 19354 9350 1 14 . 1 1 44 44 TYR H H 44 6.311 6.311 6.846 -0.535 19354 9351 1 14 . 1 1 45 45 GLU N N 45 118.221 118.221 120.937 -2.716 19354 9352 1 14 . 1 1 45 45 GLU HA H 45 4.138 4.138 4.540 -0.402 19354 9353 1 14 . 1 1 45 45 GLU C C 45 176.282 176.282 175.240 1.042 19354 9354 1 14 . 1 1 45 45 GLU CA C 45 57.502 57.502 56.086 1.416 19354 9355 1 14 . 1 1 45 45 GLU CB C 45 31.105 31.105 30.271 0.834 19354 9356 1 14 . 1 1 45 45 GLU H H 45 8.591 8.591 8.834 -0.243 19354 9357 1 14 . 1 1 46 46 LEU N N 46 119.826 119.826 118.785 1.041 19354 9358 1 14 . 1 1 46 46 LEU HA H 46 4.974 4.974 5.212 -0.238 19354 9359 1 14 . 1 1 46 46 LEU C C 46 175.420 175.420 176.324 -0.904 19354 9360 1 14 . 1 1 46 46 LEU CA C 46 53.202 53.202 53.273 -0.071 19354 9361 1 14 . 1 1 46 46 LEU CB C 46 43.587 43.587 45.389 -1.802 19354 9362 1 14 . 1 1 46 46 LEU H H 46 8.176 8.176 7.574 0.602 19354 9363 1 14 . 1 1 47 47 SER N N 47 111.561 111.561 112.899 -1.338 19354 9364 1 14 . 1 1 47 47 SER HA H 47 5.020 5.020 4.524 0.496 19354 9365 1 14 . 1 1 47 47 SER C C 47 173.833 173.833 172.202 1.631 19354 9366 1 14 . 1 1 47 47 SER CA C 47 53.006 53.006 56.752 -3.746 19354 9367 1 14 . 1 1 47 47 SER CB C 47 64.691 64.691 64.753 -0.062 19354 9368 1 14 . 1 1 47 47 SER H H 47 7.924 7.924 8.510 -0.586 19354 9369 1 14 . 1 1 48 48 SER N N 48 111.459 111.459 120.110 -8.651 19354 9370 1 14 . 1 1 48 48 SER HA H 48 4.841 4.841 4.948 -0.107 19354 9371 1 14 . 1 1 48 48 SER C C 48 175.602 175.602 175.022 0.580 19354 9372 1 14 . 1 1 48 48 SER CA C 48 57.388 57.388 57.262 0.126 19354 9373 1 14 . 1 1 48 48 SER CB C 48 66.333 66.333 64.461 1.872 19354 9374 1 14 . 1 1 48 48 SER H H 48 8.628 8.628 8.554 0.074 19354 9375 1 14 . 1 1 49 49 LEU N N 49 128.995 128.995 128.290 0.705 19354 9376 1 14 . 1 1 49 49 LEU HA H 49 4.383 4.383 4.293 0.090 19354 9377 1 14 . 1 1 49 49 LEU C C 49 179.571 179.571 178.599 0.972 19354 9378 1 14 . 1 1 49 49 LEU CA C 49 56.032 56.032 57.141 -1.109 19354 9379 1 14 . 1 1 49 49 LEU CB C 49 41.904 41.904 41.988 -0.084 19354 9380 1 14 . 1 1 49 49 LEU H H 49 9.519 9.519 9.015 0.504 19354 9381 1 14 . 1 1 50 50 ASP N N 50 115.013 115.013 119.107 -4.094 19354 9382 1 14 . 1 1 50 50 ASP HA H 50 4.168 4.168 4.286 -0.118 19354 9383 1 14 . 1 1 50 50 ASP C C 50 176.486 176.486 177.308 -0.822 19354 9384 1 14 . 1 1 50 50 ASP CA C 50 58.352 58.352 56.743 1.609 19354 9385 1 14 . 1 1 50 50 ASP CB C 50 41.259 41.259 40.828 0.431 19354 9386 1 14 . 1 1 50 50 ASP H H 50 8.191 8.191 8.503 -0.312 19354 9387 1 14 . 1 1 51 51 LEU N N 51 118.298 118.298 117.763 0.535 19354 9388 1 14 . 1 1 51 51 LEU HA H 51 4.329 4.329 4.139 0.190 19354 9389 1 14 . 1 1 51 51 LEU C C 51 175.556 175.556 177.724 -2.168 19354 9390 1 14 . 1 1 51 51 LEU CA C 51 54.483 54.483 56.708 -2.225 19354 9391 1 14 . 1 1 51 51 LEU CB C 51 39.219 39.219 42.557 -3.338 19354 9392 1 14 . 1 1 51 51 LEU H H 51 8.732 8.732 7.703 1.029 19354 9393 1 14 . 1 1 52 52 THR N N 52 106.427 106.427 107.878 -1.451 19354 9394 1 14 . 1 1 52 52 THR HA H 52 2.784 2.784 4.255 -1.471 19354 9395 1 14 . 1 1 52 52 THR C C 52 172.812 172.812 173.853 -1.041 19354 9396 1 14 . 1 1 52 52 THR CA C 52 58.759 58.759 61.600 -2.841 19354 9397 1 14 . 1 1 52 52 THR CB C 52 71.985 71.985 70.397 1.588 19354 9398 1 14 . 1 1 52 52 THR H H 52 7.574 7.574 7.856 -0.282 19354 9399 1 14 . 1 1 53 53 ASP HA H 53 4.398 4.398 4.182 0.216 19354 9400 1 14 . 1 1 53 53 ASP CA C 53 52.757 52.757 55.054 -2.297 19354 9401 1 14 . 1 1 53 53 ASP CB C 53 40.737 40.737 39.568 1.169 19354 9402 1 14 . 1 1 54 54 PHE N N 54 117.929 117.929 117.802 0.127 19354 9403 1 14 . 1 1 54 54 PHE HA H 54 4.498 4.498 4.590 -0.092 19354 9404 1 14 . 1 1 54 54 PHE C C 54 176.169 176.169 176.247 -0.078 19354 9405 1 14 . 1 1 54 54 PHE CA C 54 57.477 57.477 56.598 0.879 19354 9406 1 14 . 1 1 54 54 PHE CB C 54 39.270 39.270 40.392 -1.122 19354 9407 1 14 . 1 1 54 54 PHE H H 54 7.575 7.575 7.543 0.032 19354 9408 1 14 . 1 1 55 55 HIS N N 55 115.333 115.333 116.731 -1.398 19354 9409 1 14 . 1 1 55 55 HIS HA H 55 4.585 4.585 4.774 -0.189 19354 9410 1 14 . 1 1 55 55 HIS C C 55 175.080 175.080 174.615 0.465 19354 9411 1 14 . 1 1 55 55 HIS CA C 55 56.439 56.439 56.640 -0.201 19354 9412 1 14 . 1 1 55 55 HIS CB C 55 31.104 31.104 31.632 -0.528 19354 9413 1 14 . 1 1 55 55 HIS H H 55 9.230 9.230 8.631 0.599 19354 9414 1 14 . 1 1 56 56 THR N N 56 106.891 106.891 112.456 -5.565 19354 9415 1 14 . 1 1 56 56 THR HA H 56 4.528 4.528 4.304 0.224 19354 9416 1 14 . 1 1 56 56 THR C C 56 173.696 173.696 173.962 -0.266 19354 9417 1 14 . 1 1 56 56 THR CA C 56 58.725 58.725 61.195 -2.470 19354 9418 1 14 . 1 1 56 56 THR CB C 56 72.851 72.851 69.882 2.969 19354 9419 1 14 . 1 1 56 56 THR H H 56 7.343 7.343 7.810 -0.467 19354 9420 1 14 . 1 1 57 57 GLU N N 57 121.798 121.798 126.055 -4.257 19354 9421 1 14 . 1 1 57 57 GLU HA H 57 3.611 3.611 3.784 -0.173 19354 9422 1 14 . 1 1 57 57 GLU C C 57 178.417 178.417 178.048 0.369 19354 9423 1 14 . 1 1 57 57 GLU CA C 57 59.380 59.380 60.331 -0.951 19354 9424 1 14 . 1 1 57 57 GLU CB C 57 29.873 29.873 29.562 0.310 19354 9425 1 14 . 1 1 57 57 GLU H H 57 8.841 8.841 8.689 0.152 19354 9426 1 14 . 1 1 58 58 LYS N N 58 121.091 121.091 117.946 3.145 19354 9427 1 14 . 1 1 58 58 LYS HA H 58 3.903 3.903 3.876 0.027 19354 9428 1 14 . 1 1 58 58 LYS C C 58 177.745 177.745 178.578 -0.833 19354 9429 1 14 . 1 1 58 58 LYS CA C 58 59.470 59.470 59.260 0.210 19354 9430 1 14 . 1 1 58 58 LYS CB C 58 32.130 32.130 31.723 0.407 19354 9431 1 14 . 1 1 58 58 LYS H H 58 8.307 8.307 7.577 0.730 19354 9432 1 14 . 1 1 59 59 GLU N N 59 117.790 117.790 119.544 -1.754 19354 9433 1 14 . 1 1 59 59 GLU HA H 59 3.852 3.852 3.965 -0.113 19354 9434 1 14 . 1 1 59 59 GLU C C 59 178.051 178.051 178.337 -0.286 19354 9435 1 14 . 1 1 59 59 GLU CA C 59 59.094 59.094 58.724 0.370 19354 9436 1 14 . 1 1 59 59 GLU CB C 59 30.468 30.468 29.021 1.447 19354 9437 1 14 . 1 1 59 59 GLU H H 59 7.537 7.537 7.814 -0.278 19354 9438 1 14 . 1 1 60 60 LEU N N 60 118.763 118.763 120.614 -1.851 19354 9439 1 14 . 1 1 60 60 LEU HA H 60 3.211 3.211 3.172 0.039 19354 9440 1 14 . 1 1 60 60 LEU C C 60 178.070 178.070 178.191 -0.121 19354 9441 1 14 . 1 1 60 60 LEU CA C 60 59.007 59.007 57.420 1.587 19354 9442 1 14 . 1 1 60 60 LEU CB C 60 42.750 42.750 41.918 0.832 19354 9443 1 14 . 1 1 60 60 LEU H H 60 7.321 7.321 7.045 0.276 19354 9444 1 14 . 1 1 61 61 ASN N N 61 116.987 116.987 117.538 -0.551 19354 9445 1 14 . 1 1 61 61 ASN HA H 61 4.127 4.127 4.281 -0.154 19354 9446 1 14 . 1 1 61 61 ASN C C 61 177.689 177.689 177.611 0.078 19354 9447 1 14 . 1 1 61 61 ASN CA C 61 57.310 57.310 56.758 0.552 19354 9448 1 14 . 1 1 61 61 ASN CB C 61 39.288 39.288 38.272 1.016 19354 9449 1 14 . 1 1 61 61 ASN H H 61 8.335 8.335 8.463 -0.128 19354 9450 1 14 . 1 1 62 62 ASP N N 62 120.935 120.935 119.054 1.881 19354 9451 1 14 . 1 1 62 62 ASP HA H 62 4.306 4.306 4.478 -0.172 19354 9452 1 14 . 1 1 62 62 ASP C C 62 178.868 178.868 178.407 0.461 19354 9453 1 14 . 1 1 62 62 ASP CA C 62 57.510 57.510 56.736 0.774 19354 9454 1 14 . 1 1 62 62 ASP CB C 62 39.596 39.596 40.616 -1.020 19354 9455 1 14 . 1 1 62 62 ASP H H 62 8.376 8.376 8.165 0.211 19354 9456 1 14 . 1 1 63 63 LYS N N 63 119.626 119.626 121.644 -2.018 19354 9457 1 14 . 1 1 63 63 LYS HA H 63 4.168 4.168 4.153 0.015 19354 9458 1 14 . 1 1 63 63 LYS C C 63 179.458 179.458 178.975 0.483 19354 9459 1 14 . 1 1 63 63 LYS CA C 63 55.698 55.698 59.009 -3.311 19354 9460 1 14 . 1 1 63 63 LYS CB C 63 31.082 31.082 32.211 -1.129 19354 9461 1 14 . 1 1 63 63 LYS H H 63 7.748 7.748 7.652 0.096 19354 9462 1 14 . 1 1 64 64 LEU N N 64 120.255 120.255 119.123 1.132 19354 9463 1 14 . 1 1 64 64 LEU HA H 64 3.688 3.688 4.076 -0.388 19354 9464 1 14 . 1 1 64 64 LEU C C 64 178.732 178.732 178.499 0.233 19354 9465 1 14 . 1 1 64 64 LEU CA C 64 57.722 57.722 58.250 -0.528 19354 9466 1 14 . 1 1 64 64 LEU CB C 64 41.236 41.236 40.958 0.278 19354 9467 1 14 . 1 1 64 64 LEU H H 64 8.221 8.221 8.335 -0.114 19354 9468 1 14 . 1 1 65 65 ASN N N 65 113.630 113.630 117.795 -4.165 19354 9469 1 14 . 1 1 65 65 ASN HA H 65 4.580 4.580 4.478 0.102 19354 9470 1 14 . 1 1 65 65 ASN C C 65 178.394 178.394 177.607 0.787 19354 9471 1 14 . 1 1 65 65 ASN CA C 65 55.628 55.628 56.638 -1.010 19354 9472 1 14 . 1 1 65 65 ASN CB C 65 38.269 38.269 37.964 0.305 19354 9473 1 14 . 1 1 65 65 ASN H H 65 7.482 7.482 7.956 -0.474 19354 9474 1 14 . 1 1 66 66 ASP N N 66 120.683 120.683 119.597 1.086 19354 9475 1 14 . 1 1 66 66 ASP HA H 66 4.482 4.482 4.405 0.077 19354 9476 1 14 . 1 1 66 66 ASP C C 66 179.095 179.095 178.830 0.265 19354 9477 1 14 . 1 1 66 66 ASP CA C 66 56.623 56.623 57.769 -1.145 19354 9478 1 14 . 1 1 66 66 ASP CB C 66 39.883 39.883 41.180 -1.297 19354 9479 1 14 . 1 1 66 66 ASP H H 66 7.834 7.834 8.414 -0.580 19354 9480 1 14 . 1 1 67 67 TYR N N 67 116.512 116.512 119.713 -3.201 19354 9481 1 14 . 1 1 67 67 TYR HA H 67 3.984 3.984 4.183 -0.199 19354 9482 1 14 . 1 1 67 67 TYR C C 67 176.554 176.554 177.375 -0.821 19354 9483 1 14 . 1 1 67 67 TYR CA C 67 62.142 62.142 60.118 2.024 19354 9484 1 14 . 1 1 67 67 TYR CB C 67 37.436 37.436 38.074 -0.638 19354 9485 1 14 . 1 1 67 67 TYR H H 67 8.132 8.132 7.518 0.614 19354 9486 1 14 . 1 1 68 68 TYR N N 68 118.786 118.786 120.127 -1.341 19354 9487 1 14 . 1 1 68 68 TYR HA H 68 3.632 3.632 3.034 0.598 19354 9488 1 14 . 1 1 68 68 TYR C C 68 177.915 177.915 177.569 0.346 19354 9489 1 14 . 1 1 68 68 TYR CA C 68 61.395 61.395 61.551 -0.156 19354 9490 1 14 . 1 1 68 68 TYR CB C 68 37.345 37.345 37.011 0.334 19354 9491 1 14 . 1 1 68 68 TYR H H 68 7.558 7.558 8.316 -0.758 19354 9492 1 14 . 1 1 69 69 ALA N N 69 120.715 120.715 121.919 -1.204 19354 9493 1 14 . 1 1 69 69 ALA HA H 69 3.935 3.935 3.824 0.111 19354 9494 1 14 . 1 1 69 69 ALA C C 69 179.390 179.390 178.948 0.442 19354 9495 1 14 . 1 1 69 69 ALA CA C 69 54.015 54.015 54.554 -0.539 19354 9496 1 14 . 1 1 69 69 ALA CB C 69 18.529 18.529 18.022 0.507 19354 9497 1 14 . 1 1 69 69 ALA H H 69 7.453 7.453 7.629 -0.176 19354 9498 1 14 . 1 1 70 70 LEU N N 70 117.212 117.212 118.964 -1.752 19354 9499 1 14 . 1 1 70 70 LEU HA H 70 3.765 3.765 3.836 -0.071 19354 9500 1 14 . 1 1 70 70 LEU C C 70 177.280 177.280 178.067 -0.787 19354 9501 1 14 . 1 1 70 70 LEU CA C 70 56.634 56.634 56.944 -0.310 19354 9502 1 14 . 1 1 70 70 LEU CB C 70 41.045 41.045 41.646 -0.601 19354 9503 1 14 . 1 1 70 70 LEU H H 70 7.764 7.764 7.970 -0.206 19354 9504 1 14 . 1 1 71 71 LYS N N 71 118.756 118.756 118.571 0.185 19354 9505 1 14 . 1 1 71 71 LYS HA H 71 3.039 3.039 3.237 -0.198 19354 9506 1 14 . 1 1 71 71 LYS C C 71 177.121 177.121 177.865 -0.744 19354 9507 1 14 . 1 1 71 71 LYS CA C 71 58.865 58.865 58.691 0.174 19354 9508 1 14 . 1 1 71 71 LYS CB C 71 31.247 31.247 31.136 0.111 19354 9509 1 14 . 1 1 71 71 LYS H H 71 7.001 7.001 7.843 -0.842 19354 9510 1 14 . 1 1 72 72 HIS N N 72 113.331 113.331 117.836 -4.505 19354 9511 1 14 . 1 1 72 72 HIS HA H 72 4.304 4.304 4.296 0.008 19354 9512 1 14 . 1 1 72 72 HIS C C 72 174.232 174.232 176.020 -1.788 19354 9513 1 14 . 1 1 72 72 HIS CA C 72 57.245 57.245 58.797 -1.552 19354 9514 1 14 . 1 1 72 72 HIS CB C 72 30.221 30.221 30.055 0.166 19354 9515 1 14 . 1 1 72 72 HIS H H 72 6.973 6.973 7.649 -0.676 19354 9516 1 14 . 1 1 73 73 VAL N N 73 121.486 121.486 120.228 1.258 19354 9517 1 14 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.459 0.072 19354 9518 1 14 . 1 1 73 73 VAL CA C 73 59.159 59.159 58.601 0.558 19354 9519 1 14 . 1 1 73 73 VAL CB C 73 30.604 30.604 32.082 -1.478 19354 9520 1 14 . 1 1 73 73 VAL H H 73 7.821 7.821 7.919 -0.098 19354 9521 1 14 . 1 1 74 74 PRO HA H 74 4.070 4.070 4.573 -0.503 19354 9522 1 14 . 1 1 74 74 PRO CA C 74 66.637 66.637 65.093 1.544 19354 9523 1 14 . 1 1 74 74 PRO CB C 74 32.212 32.212 32.094 0.118 19354 9524 1 14 . 1 1 75 75 LYS N N 75 116.832 116.832 118.280 -1.448 19354 9525 1 14 . 1 1 75 75 LYS HA H 75 4.099 4.099 4.145 -0.046 19354 9526 1 14 . 1 1 75 75 LYS C C 75 180.048 180.048 177.170 2.878 19354 9527 1 14 . 1 1 75 75 LYS CA C 75 59.398 59.398 58.816 0.582 19354 9528 1 14 . 1 1 75 75 LYS CB C 75 31.296 31.296 31.586 -0.290 19354 9529 1 14 . 1 1 75 75 LYS H H 75 9.234 9.234 8.569 0.665 19354 9530 1 14 . 1 1 76 76 CYS N N 76 116.333 116.333 117.591 -1.258 19354 9531 1 14 . 1 1 76 76 CYS HA H 76 4.320 4.320 4.804 -0.484 19354 9532 1 14 . 1 1 76 76 CYS C C 76 175.012 175.012 175.670 -0.658 19354 9533 1 14 . 1 1 76 76 CYS CA C 76 58.297 58.297 60.401 -2.104 19354 9534 1 14 . 1 1 76 76 CYS CB C 76 38.803 38.803 28.707 10.096 19354 9535 1 14 . 1 1 76 76 CYS H H 76 7.496 7.496 7.877 -0.381 19354 9536 1 14 . 1 1 77 77 TRP N N 77 119.987 119.987 123.638 -3.651 19354 9537 1 14 . 1 1 77 77 TRP HA H 77 4.452 4.452 4.352 0.100 19354 9538 1 14 . 1 1 77 77 TRP C C 77 177.462 177.462 177.555 -0.093 19354 9539 1 14 . 1 1 77 77 TRP CA C 77 58.821 58.821 60.005 -1.184 19354 9540 1 14 . 1 1 77 77 TRP CB C 77 30.425 30.425 29.501 0.924 19354 9541 1 14 . 1 1 77 77 TRP H H 77 8.254 8.254 8.812 -0.558 19354 9542 1 14 . 1 1 78 78 ALA N N 78 116.093 116.093 119.829 -3.736 19354 9543 1 14 . 1 1 78 78 ALA HA H 78 3.736 3.736 3.535 0.201 19354 9544 1 14 . 1 1 78 78 ALA C C 78 178.845 178.845 178.605 0.240 19354 9545 1 14 . 1 1 78 78 ALA CA C 78 54.188 54.188 53.871 0.317 19354 9546 1 14 . 1 1 78 78 ALA CB C 78 18.323 18.323 17.717 0.606 19354 9547 1 14 . 1 1 78 78 ALA H H 78 7.968 7.968 7.738 0.230 19354 9548 1 14 . 1 1 79 79 ALA N N 79 116.351 116.351 120.263 -3.912 19354 9549 1 14 . 1 1 79 79 ALA HA H 79 4.147 4.147 4.202 -0.055 19354 9550 1 14 . 1 1 79 79 ALA C C 79 178.414 178.414 178.201 0.213 19354 9551 1 14 . 1 1 79 79 ALA CA C 79 53.243 53.243 54.038 -0.795 19354 9552 1 14 . 1 1 79 79 ALA CB C 79 19.832 19.832 19.204 0.628 19354 9553 1 14 . 1 1 79 79 ALA H H 79 6.929 6.929 7.202 -0.273 19354 9554 1 14 . 1 1 80 80 ILE N N 80 115.150 115.150 117.915 -2.765 19354 9555 1 14 . 1 1 80 80 ILE HA H 80 4.218 4.218 4.236 -0.018 19354 9556 1 14 . 1 1 80 80 ILE C C 80 176.350 176.350 176.523 -0.173 19354 9557 1 14 . 1 1 80 80 ILE CA C 80 62.069 62.069 60.401 1.668 19354 9558 1 14 . 1 1 80 80 ILE CB C 80 39.375 39.375 37.944 1.431 19354 9559 1 14 . 1 1 80 80 ILE H H 80 8.695 8.695 7.564 1.131 19354 9560 1 14 . 1 1 81 81 GLN N N 81 122.564 122.564 121.533 1.031 19354 9561 1 14 . 1 1 81 81 GLN HA H 81 3.332 3.332 4.076 -0.744 19354 9562 1 14 . 1 1 81 81 GLN C C 81 173.470 173.470 175.460 -1.990 19354 9563 1 14 . 1 1 81 81 GLN CA C 81 61.829 61.829 61.546 0.283 19354 9564 1 14 . 1 1 81 81 GLN CB C 81 25.973 25.973 26.989 -1.016 19354 9565 1 14 . 1 1 81 81 GLN H H 81 7.315 7.315 7.471 -0.156 19354 9566 1 14 . 1 1 82 82 PRO HA H 82 4.076 4.076 4.324 -0.248 19354 9567 1 14 . 1 1 82 82 PRO CA C 82 65.894 65.894 64.787 1.107 19354 9568 1 14 . 1 1 82 82 PRO CB C 82 30.481 30.481 31.615 -1.134 19354 9569 1 14 . 1 1 83 83 PHE N N 83 119.137 119.137 118.618 0.519 19354 9570 1 14 . 1 1 83 83 PHE HA H 83 4.289 4.289 4.446 -0.157 19354 9571 1 14 . 1 1 83 83 PHE C C 83 175.919 175.919 176.307 -0.388 19354 9572 1 14 . 1 1 83 83 PHE CA C 83 59.712 59.712 56.680 3.032 19354 9573 1 14 . 1 1 83 83 PHE CB C 83 39.329 39.329 39.158 0.171 19354 9574 1 14 . 1 1 83 83 PHE H H 83 6.892 6.892 7.762 -0.870 19354 9575 1 14 . 1 1 84 84 LEU N N 84 116.693 116.693 120.335 -3.642 19354 9576 1 14 . 1 1 84 84 LEU HA H 84 3.611 3.611 3.698 -0.087 19354 9577 1 14 . 1 1 84 84 LEU C C 84 180.297 180.297 178.141 2.156 19354 9578 1 14 . 1 1 84 84 LEU CA C 84 57.952 57.952 58.393 -0.441 19354 9579 1 14 . 1 1 84 84 LEU CB C 84 41.645 41.645 40.832 0.813 19354 9580 1 14 . 1 1 84 84 LEU H H 84 8.589 8.589 8.091 0.498 19354 9581 1 14 . 1 1 85 85 CYS N N 85 115.085 115.085 114.981 0.104 19354 9582 1 14 . 1 1 85 85 CYS HA H 85 4.127 4.127 4.169 -0.042 19354 9583 1 14 . 1 1 85 85 CYS C C 85 175.556 175.556 176.680 -1.124 19354 9584 1 14 . 1 1 85 85 CYS CA C 85 57.678 57.678 61.939 -4.261 19354 9585 1 14 . 1 1 85 85 CYS CB C 85 39.396 39.396 26.625 12.771 19354 9586 1 14 . 1 1 85 85 CYS H H 85 8.001 8.001 7.575 0.426 19354 9587 1 14 . 1 1 86 86 ALA N N 86 121.743 121.743 120.171 1.572 19354 9588 1 14 . 1 1 86 86 ALA HA H 86 3.922 3.922 4.258 -0.336 19354 9589 1 14 . 1 1 86 86 ALA C C 86 177.745 177.745 177.307 0.438 19354 9590 1 14 . 1 1 86 86 ALA CA C 86 54.306 54.306 53.497 0.809 19354 9591 1 14 . 1 1 86 86 ALA CB C 86 18.778 18.778 18.129 0.649 19354 9592 1 14 . 1 1 86 86 ALA H H 86 7.671 7.671 8.073 -0.402 19354 9593 1 14 . 1 1 87 87 VAL N N 87 115.667 115.667 115.617 0.050 19354 9594 1 14 . 1 1 87 87 VAL HA H 87 3.735 3.735 3.357 0.378 19354 9595 1 14 . 1 1 87 87 VAL C C 87 175.806 175.806 176.066 -0.260 19354 9596 1 14 . 1 1 87 87 VAL CA C 87 64.622 64.622 64.209 0.413 19354 9597 1 14 . 1 1 87 87 VAL CB C 87 32.936 32.936 31.682 1.254 19354 9598 1 14 . 1 1 87 87 VAL H H 87 7.460 7.460 7.077 0.383 19354 9599 1 14 . 1 1 88 88 PHE N N 88 115.306 115.306 113.405 1.901 19354 9600 1 14 . 1 1 88 88 PHE HA H 88 4.048 4.048 4.590 -0.542 19354 9601 1 14 . 1 1 88 88 PHE C C 88 176.192 176.192 174.828 1.364 19354 9602 1 14 . 1 1 88 88 PHE CA C 88 60.420 60.420 58.572 1.848 19354 9603 1 14 . 1 1 88 88 PHE CB C 88 40.182 40.182 39.893 0.289 19354 9604 1 14 . 1 1 88 88 PHE H H 88 8.930 8.930 7.391 1.539 19354 9605 1 14 . 1 1 89 89 LYS N N 89 115.470 115.470 119.161 -3.691 19354 9606 1 14 . 1 1 89 89 LYS HA H 89 4.816 4.816 4.874 -0.058 19354 9607 1 14 . 1 1 89 89 LYS C C 89 184.176 184.176 174.280 9.896 19354 9608 1 14 . 1 1 89 89 LYS CA C 89 53.428 53.428 52.958 0.470 19354 9609 1 14 . 1 1 89 89 LYS CB C 89 33.274 33.274 31.696 1.578 19354 9610 1 14 . 1 1 89 89 LYS H H 89 7.802 7.802 7.724 0.078 19354 9611 1 14 . 1 1 90 90 PRO HA H 90 4.250 4.250 4.235 0.015 19354 9612 1 14 . 1 1 90 90 PRO CA C 90 62.682 62.682 62.293 0.389 19354 9613 1 14 . 1 1 90 90 PRO CB C 90 32.358 32.358 32.429 -0.071 19354 9614 1 14 . 1 1 91 91 LYS N N 91 122.391 122.391 119.467 2.924 19354 9615 1 14 . 1 1 91 91 LYS HA H 91 3.039 3.039 3.233 -0.194 19354 9616 1 14 . 1 1 91 91 LYS C C 91 173.356 173.356 175.203 -1.847 19354 9617 1 14 . 1 1 91 91 LYS CA C 91 58.027 58.027 55.242 2.785 19354 9618 1 14 . 1 1 91 91 LYS CB C 91 31.285 31.285 32.426 -1.141 19354 9619 1 14 . 1 1 91 91 LYS H H 91 8.537 8.537 8.063 0.474 19354 9620 1 14 . 1 1 92 92 CYS N N 92 127.562 127.562 127.047 0.515 19354 9621 1 14 . 1 1 92 92 CYS HA H 92 5.391 5.391 5.035 0.356 19354 9622 1 14 . 1 1 92 92 CYS C C 92 171.655 171.655 173.337 -1.682 19354 9623 1 14 . 1 1 92 92 CYS CA C 92 53.804 53.804 56.623 -2.819 19354 9624 1 14 . 1 1 92 92 CYS CB C 92 41.219 41.219 28.739 12.480 19354 9625 1 14 . 1 1 92 92 CYS H H 92 7.037 7.037 8.447 -1.410 19354 9626 1 14 . 1 1 93 93 GLU N N 93 124.483 124.483 125.722 -1.239 19354 9627 1 14 . 1 1 93 93 GLU HA H 93 4.492 4.492 4.622 -0.130 19354 9628 1 14 . 1 1 93 93 GLU C C 93 173.371 173.371 174.218 -0.847 19354 9629 1 14 . 1 1 93 93 GLU CA C 93 54.874 54.874 55.546 -0.672 19354 9630 1 14 . 1 1 93 93 GLU CB C 93 34.630 34.630 32.287 2.343 19354 9631 1 14 . 1 1 93 93 GLU H H 93 9.401 9.401 8.608 0.793 19354 9632 1 14 . 1 1 94 94 LYS N N 94 122.694 122.694 120.723 1.971 19354 9633 1 14 . 1 1 94 94 LYS HA H 94 4.581 4.581 4.767 -0.186 19354 9634 1 14 . 1 1 94 94 LYS C C 94 176.509 176.509 176.362 0.147 19354 9635 1 14 . 1 1 94 94 LYS CA C 94 55.856 55.856 55.423 0.433 19354 9636 1 14 . 1 1 94 94 LYS CB C 94 31.809 31.809 33.210 -1.401 19354 9637 1 14 . 1 1 94 94 LYS H H 94 8.526 8.526 8.501 0.025 19354 9638 1 14 . 1 1 95 95 ILE N N 95 128.382 128.382 126.544 1.838 19354 9639 1 14 . 1 1 95 95 ILE HA H 95 4.049 4.049 4.147 -0.098 19354 9640 1 14 . 1 1 95 95 ILE C C 95 176.337 176.337 176.336 0.001 19354 9641 1 14 . 1 1 95 95 ILE CA C 95 60.847 60.847 60.530 0.317 19354 9642 1 14 . 1 1 95 95 ILE CB C 95 39.625 39.625 38.089 1.536 19354 9643 1 14 . 1 1 95 95 ILE H H 95 9.001 9.001 8.527 0.474 19354 9644 1 14 . 1 1 96 96 ASN N N 96 127.596 127.596 127.615 -0.019 19354 9645 1 14 . 1 1 96 96 ASN HA H 96 4.212 4.212 4.389 -0.177 19354 9646 1 14 . 1 1 96 96 ASN C C 96 175.496 175.496 175.138 0.358 19354 9647 1 14 . 1 1 96 96 ASN CA C 96 53.970 53.970 53.587 0.383 19354 9648 1 14 . 1 1 96 96 ASN CB C 96 37.238 37.238 38.025 -0.787 19354 9649 1 14 . 1 1 96 96 ASN H H 96 9.474 9.474 9.367 0.107 19354 9650 1 14 . 1 1 97 97 GLY N N 97 101.656 101.656 102.948 -1.292 19354 9651 1 14 . 1 1 97 97 GLY C C 97 173.651 173.651 173.597 0.054 19354 9652 1 14 . 1 1 97 97 GLY CA C 97 45.167 45.167 44.883 0.284 19354 9653 1 14 . 1 1 97 97 GLY H H 97 8.476 8.476 8.113 0.363 19354 9654 1 14 . 1 1 98 98 GLU N N 98 120.042 120.042 120.818 -0.776 19354 9655 1 14 . 1 1 98 98 GLU HA H 98 4.587 4.587 4.494 0.093 19354 9656 1 14 . 1 1 98 98 GLU C C 98 174.422 174.422 174.980 -0.558 19354 9657 1 14 . 1 1 98 98 GLU CA C 98 54.294 54.294 54.460 -0.166 19354 9658 1 14 . 1 1 98 98 GLU CB C 98 32.934 32.934 31.837 1.097 19354 9659 1 14 . 1 1 98 98 GLU H H 98 7.591 7.591 7.744 -0.153 19354 9660 1 14 . 1 1 99 99 ASP N N 99 126.603 126.603 127.499 -0.896 19354 9661 1 14 . 1 1 99 99 ASP HA H 99 4.340 4.340 4.576 -0.236 19354 9662 1 14 . 1 1 99 99 ASP C C 99 176.214 176.214 175.709 0.505 19354 9663 1 14 . 1 1 99 99 ASP CA C 99 55.408 55.408 55.689 -0.281 19354 9664 1 14 . 1 1 99 99 ASP CB C 99 41.629 41.629 40.092 1.537 19354 9665 1 14 . 1 1 99 99 ASP H H 99 8.489 8.489 8.758 -0.269 19354 9666 1 14 . 1 1 100 100 MET N N 100 121.977 121.977 122.043 -0.066 19354 9667 1 14 . 1 1 100 100 MET HA H 100 4.911 4.911 5.389 -0.478 19354 9668 1 14 . 1 1 100 100 MET C C 100 172.900 172.900 174.592 -1.692 19354 9669 1 14 . 1 1 100 100 MET CA C 100 53.649 53.649 53.848 -0.199 19354 9670 1 14 . 1 1 100 100 MET CB C 100 35.529 35.529 37.006 -1.477 19354 9671 1 14 . 1 1 100 100 MET H H 100 8.853 8.853 8.766 0.087 19354 9672 1 14 . 1 1 101 101 VAL N N 101 119.963 119.963 113.991 5.972 19354 9673 1 14 . 1 1 101 101 VAL HA H 101 4.814 4.814 4.572 0.242 19354 9674 1 14 . 1 1 101 101 VAL C C 101 172.991 172.991 173.533 -0.542 19354 9675 1 14 . 1 1 101 101 VAL CA C 101 58.203 58.203 59.473 -1.270 19354 9676 1 14 . 1 1 101 101 VAL CB C 101 34.629 34.629 34.631 -0.002 19354 9677 1 14 . 1 1 101 101 VAL H H 101 8.964 8.964 8.423 0.541 19354 9678 1 14 . 1 1 102 102 TYR N N 102 125.849 125.849 122.334 3.515 19354 9679 1 14 . 1 1 102 102 TYR HA H 102 4.444 4.444 4.929 -0.485 19354 9680 1 14 . 1 1 102 102 TYR C C 102 176.464 176.464 176.248 0.216 19354 9681 1 14 . 1 1 102 102 TYR CA C 102 57.549 57.549 57.306 0.243 19354 9682 1 14 . 1 1 102 102 TYR CB C 102 38.274 38.274 40.341 -2.067 19354 9683 1 14 . 1 1 102 102 TYR H H 102 8.137 8.137 8.484 -0.347 19354 9684 1 14 . 1 1 103 103 LEU N N 103 123.151 123.151 121.690 1.461 19354 9685 1 14 . 1 1 103 103 LEU HA H 103 4.683 4.683 4.923 -0.240 19354 9686 1 14 . 1 1 103 103 LEU CA C 103 52.426 52.426 51.495 0.931 19354 9687 1 14 . 1 1 103 103 LEU CB C 103 42.038 42.038 41.227 0.811 19354 9688 1 14 . 1 1 103 103 LEU H H 103 8.308 8.308 8.134 0.174 19354 9689 1 14 . 1 1 104 104 PRO HA H 104 4.678 4.678 4.669 0.009 19354 9690 1 14 . 1 1 104 104 PRO CA C 104 61.704 61.704 62.570 -0.866 19354 9691 1 14 . 1 1 104 104 PRO CB C 104 32.020 32.020 32.821 -0.800 19354 9692 1 14 . 1 1 105 105 SER N N 105 113.955 113.955 113.650 0.305 19354 9693 1 14 . 1 1 105 105 SER HA H 105 4.632 4.632 4.818 -0.186 19354 9694 1 14 . 1 1 105 105 SER C C 105 175.473 175.473 175.459 0.014 19354 9695 1 14 . 1 1 105 105 SER CA C 105 56.324 56.324 56.901 -0.577 19354 9696 1 14 . 1 1 105 105 SER CB C 105 65.193 65.193 65.176 0.017 19354 9697 1 14 . 1 1 105 105 SER H H 105 7.668 7.668 8.197 -0.529 19354 9698 1 14 . 1 1 106 106 TYR N N 106 122.582 122.582 121.479 1.103 19354 9699 1 14 . 1 1 106 106 TYR HA H 106 3.724 3.724 4.122 -0.398 19354 9700 1 14 . 1 1 106 106 TYR C C 106 178.116 178.116 177.320 0.796 19354 9701 1 14 . 1 1 106 106 TYR CA C 106 62.057 62.057 60.342 1.715 19354 9702 1 14 . 1 1 106 106 TYR CB C 106 37.925 37.925 37.238 0.687 19354 9703 1 14 . 1 1 106 106 TYR H H 106 8.492 8.492 9.079 -0.587 19354 9704 1 14 . 1 1 107 107 GLU N N 107 118.362 118.362 119.210 -0.848 19354 9705 1 14 . 1 1 107 107 GLU HA H 107 3.846 3.846 3.514 0.332 19354 9706 1 14 . 1 1 107 107 GLU C C 107 177.421 177.421 178.595 -1.174 19354 9707 1 14 . 1 1 107 107 GLU CA C 107 58.867 58.867 59.182 -0.315 19354 9708 1 14 . 1 1 107 107 GLU CB C 107 28.969 28.969 28.561 0.408 19354 9709 1 14 . 1 1 107 107 GLU H H 107 8.503 8.503 7.895 0.608 19354 9710 1 14 . 1 1 108 108 MET N N 108 116.221 116.221 117.431 -1.210 19354 9711 1 14 . 1 1 108 108 MET HA H 108 3.708 3.708 3.905 -0.197 19354 9712 1 14 . 1 1 108 108 MET C C 108 176.804 176.804 177.486 -0.682 19354 9713 1 14 . 1 1 108 108 MET CA C 108 58.648 58.648 58.141 0.507 19354 9714 1 14 . 1 1 108 108 MET CB C 108 33.058 33.058 31.441 1.617 19354 9715 1 14 . 1 1 108 108 MET H H 108 7.409 7.409 7.739 -0.330 19354 9716 1 14 . 1 1 109 109 CYS N N 109 114.131 114.131 116.413 -2.282 19354 9717 1 14 . 1 1 109 109 CYS HA H 109 3.857 3.857 3.298 0.559 19354 9718 1 14 . 1 1 109 109 CYS C C 109 178.047 178.047 176.581 1.466 19354 9719 1 14 . 1 1 109 109 CYS CA C 109 58.737 58.737 59.310 -0.573 19354 9720 1 14 . 1 1 109 109 CYS CB C 109 35.006 35.006 26.610 8.396 19354 9721 1 14 . 1 1 109 109 CYS H H 109 6.817 6.817 7.515 -0.698 19354 9722 1 14 . 1 1 110 110 ARG N N 110 124.629 124.629 120.910 3.719 19354 9723 1 14 . 1 1 110 110 ARG HA H 110 3.376 3.376 3.992 -0.616 19354 9724 1 14 . 1 1 110 110 ARG C C 110 179.435 179.435 178.357 1.078 19354 9725 1 14 . 1 1 110 110 ARG CA C 110 59.641 59.641 59.211 0.430 19354 9726 1 14 . 1 1 110 110 ARG CB C 110 29.273 29.273 29.568 -0.295 19354 9727 1 14 . 1 1 110 110 ARG H H 110 8.885 8.885 7.581 1.304 19354 9728 1 14 . 1 1 111 111 ILE N N 111 113.379 113.379 115.362 -1.983 19354 9729 1 14 . 1 1 111 111 ILE HA H 111 3.796 3.796 3.828 -0.032 19354 9730 1 14 . 1 1 111 111 ILE C C 111 175.624 175.624 177.107 -1.483 19354 9731 1 14 . 1 1 111 111 ILE CA C 111 63.811 63.811 62.848 0.963 19354 9732 1 14 . 1 1 111 111 ILE CB C 111 38.229 38.229 36.334 1.895 19354 9733 1 14 . 1 1 111 111 ILE H H 111 7.422 7.422 7.756 -0.334 19354 9734 1 14 . 1 1 112 112 THR N N 112 109.403 109.403 108.651 0.752 19354 9735 1 14 . 1 1 112 112 THR HA H 112 3.889 3.889 4.379 -0.490 19354 9736 1 14 . 1 1 112 112 THR C C 112 175.798 175.798 176.079 -0.281 19354 9737 1 14 . 1 1 112 112 THR CA C 112 62.856 62.856 64.400 -1.544 19354 9738 1 14 . 1 1 112 112 THR CB C 112 70.168 70.168 70.478 -0.310 19354 9739 1 14 . 1 1 112 112 THR H H 112 7.574 7.574 7.272 0.302 19354 9740 1 14 . 1 1 113 113 MET N N 113 119.638 119.638 120.742 -1.104 19354 9741 1 14 . 1 1 113 113 MET HA H 113 3.541 3.541 4.591 -1.050 19354 9742 1 14 . 1 1 113 113 MET C C 113 177.174 177.174 177.676 -0.502 19354 9743 1 14 . 1 1 113 113 MET CA C 113 60.235 60.235 58.459 1.776 19354 9744 1 14 . 1 1 113 113 MET CB C 113 32.338 32.338 32.371 -0.033 19354 9745 1 14 . 1 1 113 113 MET H H 113 7.152 7.152 7.329 -0.177 19354 9746 1 14 . 1 1 114 114 GLU N N 114 117.224 117.224 120.991 -3.767 19354 9747 1 14 . 1 1 114 114 GLU HA H 114 4.114 4.114 4.070 0.044 19354 9748 1 14 . 1 1 114 114 GLU CA C 114 60.422 60.422 60.633 -0.211 19354 9749 1 14 . 1 1 114 114 GLU CB C 114 26.103 26.103 28.205 -2.102 19354 9750 1 14 . 1 1 114 114 GLU H H 114 8.580 8.580 8.685 -0.105 19354 9751 1 14 . 1 1 115 115 PRO HA H 115 4.304 4.304 4.399 -0.095 19354 9752 1 14 . 1 1 115 115 PRO CA C 115 65.128 65.128 64.292 0.836 19354 9753 1 14 . 1 1 115 115 PRO CB C 115 31.141 31.141 31.941 -0.800 19354 9754 1 14 . 1 1 116 116 CYS N N 116 111.879 111.879 120.895 -9.016 19354 9755 1 14 . 1 1 116 116 CYS HA H 116 4.679 4.679 4.862 -0.183 19354 9756 1 14 . 1 1 116 116 CYS C C 116 174.808 174.808 176.094 -1.286 19354 9757 1 14 . 1 1 116 116 CYS CA C 116 54.060 54.060 58.041 -3.981 19354 9758 1 14 . 1 1 116 116 CYS CB C 116 42.879 42.879 25.219 17.660 19354 9759 1 14 . 1 1 116 116 CYS H H 116 7.208 7.208 8.044 -0.836 19354 9760 1 14 . 1 1 117 117 ARG N N 117 123.750 123.750 124.171 -0.421 19354 9761 1 14 . 1 1 117 117 ARG HA H 117 3.161 3.161 4.242 -1.081 19354 9762 1 14 . 1 1 117 117 ARG C C 117 178.210 178.210 177.644 0.566 19354 9763 1 14 . 1 1 117 117 ARG CA C 117 59.743 59.743 59.978 -0.235 19354 9764 1 14 . 1 1 117 117 ARG CB C 117 29.486 29.486 30.476 -0.990 19354 9765 1 14 . 1 1 117 117 ARG H H 117 7.436 7.436 7.815 -0.379 19354 9766 1 14 . 1 1 118 118 ILE N N 118 116.384 116.384 117.201 -0.817 19354 9767 1 14 . 1 1 118 118 ILE HA H 118 4.000 4.000 4.140 -0.140 19354 9768 1 14 . 1 1 118 118 ILE C C 118 176.577 176.577 177.163 -0.586 19354 9769 1 14 . 1 1 118 118 ILE CA C 118 63.166 63.166 63.242 -0.076 19354 9770 1 14 . 1 1 118 118 ILE CB C 118 37.781 37.781 37.164 0.617 19354 9771 1 14 . 1 1 118 118 ILE H H 118 8.130 8.130 8.302 -0.172 19354 9772 1 14 . 1 1 119 119 LEU N N 119 119.738 119.738 119.189 0.549 19354 9773 1 14 . 1 1 119 119 LEU HA H 119 4.540 4.540 4.354 0.186 19354 9774 1 14 . 1 1 119 119 LEU C C 119 178.346 178.346 177.514 0.832 19354 9775 1 14 . 1 1 119 119 LEU CA C 119 54.697 54.697 53.716 0.981 19354 9776 1 14 . 1 1 119 119 LEU CB C 119 42.872 42.872 40.979 1.893 19354 9777 1 14 . 1 1 119 119 LEU H H 119 7.771 7.771 8.147 -0.376 19354 9778 1 14 . 1 1 120 120 TYR N N 120 121.945 121.945 119.225 2.720 19354 9779 1 14 . 1 1 120 120 TYR HA H 120 4.125 4.125 4.116 0.009 19354 9780 1 14 . 1 1 120 120 TYR C C 120 176.169 176.169 175.485 0.684 19354 9781 1 14 . 1 1 120 120 TYR CA C 120 59.682 59.682 60.520 -0.838 19354 9782 1 14 . 1 1 120 120 TYR CB C 120 37.180 37.180 37.410 -0.230 19354 9783 1 14 . 1 1 120 120 TYR H H 120 7.886 7.886 8.246 -0.360 19354 9784 1 14 . 1 1 121 121 ASN N N 121 115.992 115.992 114.236 1.756 19354 9785 1 14 . 1 1 121 121 ASN HA H 121 4.885 4.885 4.592 0.293 19354 9786 1 14 . 1 1 121 121 ASN C C 121 175.612 175.612 174.243 1.369 19354 9787 1 14 . 1 1 121 121 ASN CA C 121 52.670 52.670 52.628 0.042 19354 9788 1 14 . 1 1 121 121 ASN CB C 121 38.058 38.058 40.819 -2.761 19354 9789 1 14 . 1 1 121 121 ASN H H 121 8.228 8.228 7.288 0.940 19354 9790 1 14 . 1 1 122 122 THR N N 122 109.094 109.094 114.778 -5.684 19354 9791 1 14 . 1 1 122 122 THR HA H 122 4.682 4.682 3.971 0.711 19354 9792 1 14 . 1 1 122 122 THR C C 122 175.844 175.844 173.027 2.817 19354 9793 1 14 . 1 1 122 122 THR CA C 122 61.815 61.815 63.010 -1.195 19354 9794 1 14 . 1 1 122 122 THR CB C 122 72.484 72.484 68.637 3.847 19354 9795 1 14 . 1 1 122 122 THR H H 122 7.649 7.649 7.701 -0.052 19354 9796 1 14 . 1 1 123 123 THR N N 123 112.067 112.067 115.505 -3.438 19354 9797 1 14 . 1 1 123 123 THR HA H 123 4.026 4.026 4.445 -0.419 19354 9798 1 14 . 1 1 123 123 THR C C 123 175.033 175.033 173.180 1.853 19354 9799 1 14 . 1 1 123 123 THR CA C 123 63.174 63.174 61.524 1.650 19354 9800 1 14 . 1 1 123 123 THR CB C 123 68.529 68.529 68.888 -0.359 19354 9801 1 14 . 1 1 123 123 THR H H 123 8.261 8.261 7.963 0.298 19354 9802 1 14 . 1 1 124 124 PHE N N 124 118.139 118.139 119.702 -1.563 19354 9803 1 14 . 1 1 124 124 PHE HA H 124 4.153 4.153 4.609 -0.456 19354 9804 1 14 . 1 1 124 124 PHE C C 124 175.398 175.398 174.662 0.736 19354 9805 1 14 . 1 1 124 124 PHE CA C 124 59.890 59.890 57.436 2.454 19354 9806 1 14 . 1 1 124 124 PHE CB C 124 39.668 39.668 39.564 0.104 19354 9807 1 14 . 1 1 124 124 PHE H H 124 7.764 7.764 7.776 -0.012 19354 9808 1 14 . 1 1 125 125 PHE N N 125 118.447 118.447 119.259 -0.812 19354 9809 1 14 . 1 1 125 125 PHE HA H 125 4.662 4.662 5.134 -0.472 19354 9810 1 14 . 1 1 125 125 PHE CA C 125 56.245 56.245 54.201 2.044 19354 9811 1 14 . 1 1 125 125 PHE CB C 125 38.810 38.810 39.103 -0.293 19354 9812 1 14 . 1 1 125 125 PHE H H 125 7.670 7.670 8.256 -0.586 19354 9813 1 14 . 1 1 126 126 PRO HA H 126 4.398 4.398 4.347 0.051 19354 9814 1 14 . 1 1 126 126 PRO CA C 126 62.432 62.432 64.699 -2.267 19354 9815 1 14 . 1 1 126 126 PRO CB C 126 32.670 32.670 31.862 0.808 19354 9816 1 14 . 1 1 127 127 LYS N N 127 118.753 118.753 117.106 1.647 19354 9817 1 14 . 1 1 127 127 LYS HA H 127 3.580 3.580 4.173 -0.593 19354 9818 1 14 . 1 1 127 127 LYS C C 127 177.977 177.977 178.029 -0.052 19354 9819 1 14 . 1 1 127 127 LYS CA C 127 60.279 60.279 58.466 1.813 19354 9820 1 14 . 1 1 127 127 LYS CB C 127 31.599 31.599 31.247 0.352 19354 9821 1 14 . 1 1 127 127 LYS H H 127 8.565 8.565 8.719 -0.154 19354 9822 1 14 . 1 1 128 128 PHE N N 128 110.638 110.638 119.125 -8.487 19354 9823 1 14 . 1 1 128 128 PHE HA H 128 4.481 4.481 4.728 -0.247 19354 9824 1 14 . 1 1 128 128 PHE C C 128 173.946 173.946 174.752 -0.806 19354 9825 1 14 . 1 1 128 128 PHE CA C 128 57.841 57.841 58.989 -1.149 19354 9826 1 14 . 1 1 128 128 PHE CB C 128 36.807 36.807 40.270 -3.463 19354 9827 1 14 . 1 1 128 128 PHE H H 128 6.795 6.795 7.491 -0.696 19354 9828 1 14 . 1 1 129 129 LEU N N 129 119.653 119.653 120.305 -0.652 19354 9829 1 14 . 1 1 129 129 LEU HA H 129 4.710 4.710 4.092 0.618 19354 9830 1 14 . 1 1 129 129 LEU C C 129 175.398 175.398 175.655 -0.257 19354 9831 1 14 . 1 1 129 129 LEU CA C 129 53.169 53.169 53.162 0.007 19354 9832 1 14 . 1 1 129 129 LEU CB C 129 44.901 44.901 41.781 3.120 19354 9833 1 14 . 1 1 129 129 LEU H H 129 7.204 7.204 7.649 -0.445 19354 9834 1 14 . 1 1 130 130 ARG N N 130 116.807 116.807 122.823 -6.016 19354 9835 1 14 . 1 1 130 130 ARG HA H 130 4.328 4.328 4.100 0.228 19354 9836 1 14 . 1 1 130 130 ARG C C 130 177.099 177.099 174.893 2.206 19354 9837 1 14 . 1 1 130 130 ARG CA C 130 55.250 55.250 56.651 -1.401 19354 9838 1 14 . 1 1 130 130 ARG CB C 130 30.355 30.355 27.681 2.674 19354 9839 1 14 . 1 1 130 130 ARG H H 130 7.090 7.090 7.852 -0.762 19354 9840 1 14 . 1 1 131 131 CYS N N 131 117.271 117.271 120.246 -2.975 19354 9841 1 14 . 1 1 131 131 CYS HA H 131 4.588 4.588 4.775 -0.187 19354 9842 1 14 . 1 1 131 131 CYS C C 131 175.022 175.022 172.559 2.463 19354 9843 1 14 . 1 1 131 131 CYS CA C 131 54.449 54.449 57.030 -2.581 19354 9844 1 14 . 1 1 131 131 CYS CB C 131 34.958 34.958 31.977 2.982 19354 9845 1 14 . 1 1 131 131 CYS H H 131 8.210 8.210 8.001 0.209 19354 9846 1 14 . 1 1 132 132 ASN N N 132 120.232 120.232 119.686 0.546 19354 9847 1 14 . 1 1 132 132 ASN HA H 132 4.811 4.811 4.840 -0.029 19354 9848 1 14 . 1 1 132 132 ASN C C 132 175.080 175.080 174.815 0.265 19354 9849 1 14 . 1 1 132 132 ASN CA C 132 53.188 53.188 52.993 0.195 19354 9850 1 14 . 1 1 132 132 ASN CB C 132 40.003 40.003 38.997 1.006 19354 9851 1 14 . 1 1 132 132 ASN H H 132 7.801 7.801 8.500 -0.699 19354 9852 1 14 . 1 1 133 133 GLU N N 133 123.435 123.435 124.300 -0.865 19354 9853 1 14 . 1 1 133 133 GLU HA H 133 4.225 4.225 4.444 -0.219 19354 9854 1 14 . 1 1 133 133 GLU C C 133 176.447 176.447 178.203 -1.756 19354 9855 1 14 . 1 1 133 133 GLU CA C 133 57.928 57.928 58.493 -0.565 19354 9856 1 14 . 1 1 133 133 GLU CB C 133 29.822 29.822 30.334 -0.512 19354 9857 1 14 . 1 1 133 133 GLU H H 133 9.086 9.086 8.728 0.358 19354 9858 1 14 . 1 1 134 134 THR N N 134 113.403 113.403 113.322 0.081 19354 9859 1 14 . 1 1 134 134 THR HA H 134 3.964 3.964 4.347 -0.383 19354 9860 1 14 . 1 1 134 134 THR C C 134 174.853 174.853 175.617 -0.764 19354 9861 1 14 . 1 1 134 134 THR CA C 134 63.694 63.694 64.445 -0.751 19354 9862 1 14 . 1 1 134 134 THR CB C 134 68.841 68.841 68.403 0.438 19354 9863 1 14 . 1 1 134 134 THR H H 134 8.067 8.067 8.388 -0.321 19354 9864 1 14 . 1 1 135 135 LEU N N 135 121.377 121.377 120.505 0.872 19354 9865 1 14 . 1 1 135 135 LEU HA H 135 3.964 3.964 4.279 -0.315 19354 9866 1 14 . 1 1 135 135 LEU C C 135 176.215 176.215 176.854 -0.639 19354 9867 1 14 . 1 1 135 135 LEU CA C 135 55.656 55.656 55.513 0.143 19354 9868 1 14 . 1 1 135 135 LEU CB C 135 42.291 42.291 42.471 -0.180 19354 9869 1 14 . 1 1 135 135 LEU H H 135 7.448 7.448 7.656 -0.208 19354 9870 1 14 . 1 1 136 136 PHE N N 136 117.704 117.704 116.105 1.599 19354 9871 1 14 . 1 1 136 136 PHE HA H 136 5.202 5.202 4.313 0.889 19354 9872 1 14 . 1 1 136 136 PHE C C 136 179.412 179.412 175.072 4.340 19354 9873 1 14 . 1 1 136 136 PHE CA C 136 53.495 53.495 57.540 -4.045 19354 9874 1 14 . 1 1 136 136 PHE CB C 136 39.248 39.248 36.999 2.249 19354 9875 1 14 . 1 1 136 136 PHE H H 136 7.542 7.542 7.833 -0.291 19354 9876 1 14 . 1 1 137 137 PRO HA H 137 4.528 4.528 4.356 0.172 19354 9877 1 14 . 1 1 137 137 PRO CA C 137 62.949 62.949 64.376 -1.427 19354 9878 1 14 . 1 1 137 137 PRO CB C 137 32.242 32.242 32.460 -0.218 19354 9879 1 14 . 1 1 138 138 THR N N 138 114.025 114.025 109.105 4.920 19354 9880 1 14 . 1 1 138 138 THR HA H 138 4.324 4.324 4.125 0.199 19354 9881 1 14 . 1 1 138 138 THR C C 138 174.175 174.175 174.275 -0.100 19354 9882 1 14 . 1 1 138 138 THR CA C 138 61.863 61.863 62.214 -0.351 19354 9883 1 14 . 1 1 138 138 THR CB C 138 69.742 69.742 69.074 0.668 19354 9884 1 14 . 1 1 138 138 THR H H 138 8.452 8.452 7.841 0.611 19354 9885 1 15 . 1 1 13 13 GLY N N 13 110.400 110.400 110.853 -0.453 19354 9886 1 15 . 1 1 13 13 GLY C C 13 173.560 173.560 172.454 1.106 19354 9887 1 15 . 1 1 13 13 GLY CA C 13 45.111 45.111 44.997 0.114 19354 9888 1 15 . 1 1 13 13 GLY H H 13 8.335 8.335 8.471 -0.136 19354 9889 1 15 . 1 1 14 14 LEU N N 14 121.222 121.222 121.508 -0.286 19354 9890 1 15 . 1 1 14 14 LEU HA H 14 4.378 4.378 4.547 -0.169 19354 9891 1 15 . 1 1 14 14 LEU C C 14 177.119 177.119 174.907 2.212 19354 9892 1 15 . 1 1 14 14 LEU CA C 14 54.838 54.838 54.949 -0.111 19354 9893 1 15 . 1 1 14 14 LEU CB C 14 42.429 42.429 44.279 -1.850 19354 9894 1 15 . 1 1 14 14 LEU H H 14 7.915 7.915 7.486 0.429 19354 9895 1 15 . 1 1 15 15 VAL N N 15 123.222 123.222 125.959 -2.737 19354 9896 1 15 . 1 1 15 15 VAL HA H 15 4.335 4.335 4.080 0.255 19354 9897 1 15 . 1 1 15 15 VAL C C 15 175.602 175.602 174.916 0.686 19354 9898 1 15 . 1 1 15 15 VAL CA C 15 59.375 59.375 60.011 -0.636 19354 9899 1 15 . 1 1 15 15 VAL CB C 15 33.197 33.197 32.730 0.467 19354 9900 1 15 . 1 1 15 15 VAL H H 15 8.297 8.297 8.243 0.054 19354 9901 1 15 . 1 1 16 16 PRO HA H 16 4.379 4.379 4.533 -0.154 19354 9902 1 15 . 1 1 16 16 PRO CA C 16 62.925 62.925 63.374 -0.449 19354 9903 1 15 . 1 1 16 16 PRO CB C 16 32.043 32.043 31.040 1.003 19354 9904 1 15 . 1 1 17 17 ARG N N 17 122.742 122.742 122.328 0.414 19354 9905 1 15 . 1 1 17 17 ARG HA H 17 4.219 4.219 4.583 -0.364 19354 9906 1 15 . 1 1 17 17 ARG C C 17 176.586 176.586 176.149 0.437 19354 9907 1 15 . 1 1 17 17 ARG CA C 17 55.479 55.479 55.849 -0.370 19354 9908 1 15 . 1 1 17 17 ARG CB C 17 30.889 30.889 31.903 -1.014 19354 9909 1 15 . 1 1 17 17 ARG H H 17 8.469 8.469 8.555 -0.086 19354 9910 1 15 . 1 1 18 18 GLY N N 18 111.993 111.993 109.502 2.491 19354 9911 1 15 . 1 1 18 18 GLY C C 18 174.453 174.453 173.692 0.761 19354 9912 1 15 . 1 1 18 18 GLY CA C 18 45.670 45.670 44.288 1.382 19354 9913 1 15 . 1 1 18 18 GLY H H 18 8.538 8.538 8.074 0.464 19354 9914 1 15 . 1 1 19 19 SER HA H 19 4.318 4.318 4.136 0.182 19354 9915 1 15 . 1 1 19 19 SER CA C 19 58.480 58.480 58.811 -0.331 19354 9916 1 15 . 1 1 19 19 SER CB C 19 63.535 63.535 63.020 0.515 19354 9917 1 15 . 1 1 20 20 HIS N N 20 120.039 120.039 115.123 4.916 19354 9918 1 15 . 1 1 20 20 HIS HA H 20 4.678 4.678 3.933 0.745 19354 9919 1 15 . 1 1 20 20 HIS C C 20 174.263 174.263 176.674 -2.411 19354 9920 1 15 . 1 1 20 20 HIS CA C 20 55.889 55.889 59.112 -3.224 19354 9921 1 15 . 1 1 20 20 HIS CB C 20 32.027 32.027 28.694 3.333 19354 9922 1 15 . 1 1 20 20 HIS H H 20 8.344 8.344 8.149 0.195 19354 9923 1 15 . 1 1 21 21 MET N N 21 120.453 120.453 114.193 6.260 19354 9924 1 15 . 1 1 21 21 MET HA H 21 4.676 4.676 4.050 0.626 19354 9925 1 15 . 1 1 21 21 MET C C 21 174.808 174.808 175.052 -0.244 19354 9926 1 15 . 1 1 21 21 MET CA C 21 54.232 54.232 58.270 -4.038 19354 9927 1 15 . 1 1 21 21 MET CB C 21 32.377 32.377 32.153 0.224 19354 9928 1 15 . 1 1 21 21 MET H H 21 8.587 8.587 8.413 0.174 19354 9929 1 15 . 1 1 22 22 VAL N N 22 112.794 112.794 116.742 -3.948 19354 9930 1 15 . 1 1 22 22 VAL HA H 22 5.297 5.297 4.767 0.530 19354 9931 1 15 . 1 1 22 22 VAL C C 22 175.218 175.218 174.467 0.751 19354 9932 1 15 . 1 1 22 22 VAL CA C 22 57.885 57.885 59.912 -2.027 19354 9933 1 15 . 1 1 22 22 VAL CB C 22 35.895 35.895 35.177 0.718 19354 9934 1 15 . 1 1 22 22 VAL H H 22 7.805 7.805 8.250 -0.445 19354 9935 1 15 . 1 1 23 23 ARG N N 23 117.854 117.854 121.583 -3.729 19354 9936 1 15 . 1 1 23 23 ARG HA H 23 4.578 4.578 4.654 -0.076 19354 9937 1 15 . 1 1 23 23 ARG C C 23 174.128 174.128 175.065 -0.937 19354 9938 1 15 . 1 1 23 23 ARG CA C 23 54.192 54.192 54.297 -0.105 19354 9939 1 15 . 1 1 23 23 ARG CB C 23 34.757 34.757 33.495 1.262 19354 9940 1 15 . 1 1 23 23 ARG H H 23 8.430 8.430 7.873 0.557 19354 9941 1 15 . 1 1 24 24 ARG N N 24 124.928 124.928 123.939 0.989 19354 9942 1 15 . 1 1 24 24 ARG HA H 24 4.619 4.619 4.426 0.193 19354 9943 1 15 . 1 1 24 24 ARG C C 24 176.265 176.265 175.444 0.821 19354 9944 1 15 . 1 1 24 24 ARG CA C 24 57.824 57.824 56.263 1.561 19354 9945 1 15 . 1 1 24 24 ARG CB C 24 29.913 29.913 27.783 2.130 19354 9946 1 15 . 1 1 24 24 ARG H H 24 8.569 8.569 8.686 -0.117 19354 9947 1 15 . 1 1 25 25 ALA N N 25 127.390 127.390 125.555 1.835 19354 9948 1 15 . 1 1 25 25 ALA HA H 25 4.379 4.379 4.744 -0.365 19354 9949 1 15 . 1 1 25 25 ALA C C 25 174.173 174.173 176.264 -2.091 19354 9950 1 15 . 1 1 25 25 ALA CA C 25 51.382 51.382 50.560 0.821 19354 9951 1 15 . 1 1 25 25 ALA CB C 25 23.050 23.050 20.710 2.340 19354 9952 1 15 . 1 1 25 25 ALA H H 25 8.082 8.082 8.163 -0.081 19354 9953 1 15 . 1 1 26 26 ARG N N 26 116.820 116.820 118.470 -1.650 19354 9954 1 15 . 1 1 26 26 ARG HA H 26 4.692 4.692 4.636 0.056 19354 9955 1 15 . 1 1 26 26 ARG C C 26 177.847 177.847 174.827 3.020 19354 9956 1 15 . 1 1 26 26 ARG CA C 26 55.271 55.271 55.360 -0.089 19354 9957 1 15 . 1 1 26 26 ARG CB C 26 31.215 31.215 32.198 -0.983 19354 9958 1 15 . 1 1 26 26 ARG H H 26 8.133 8.133 8.465 -0.332 19354 9959 1 15 . 1 1 27 27 CYS N N 27 126.567 126.567 123.174 3.393 19354 9960 1 15 . 1 1 27 27 CYS HA H 27 5.732 5.732 5.384 0.348 19354 9961 1 15 . 1 1 27 27 CYS C C 27 175.288 175.288 174.435 0.853 19354 9962 1 15 . 1 1 27 27 CYS CA C 27 51.785 51.785 56.870 -5.085 19354 9963 1 15 . 1 1 27 27 CYS CB C 27 38.246 38.246 29.124 9.122 19354 9964 1 15 . 1 1 27 27 CYS H H 27 9.709 9.709 8.716 0.993 19354 9965 1 15 . 1 1 28 28 TYR N N 28 120.309 120.309 119.844 0.465 19354 9966 1 15 . 1 1 28 28 TYR HA H 28 5.079 5.079 5.048 0.031 19354 9967 1 15 . 1 1 28 28 TYR CA C 28 54.951 54.951 54.102 0.849 19354 9968 1 15 . 1 1 28 28 TYR CB C 28 39.807 39.807 38.655 1.152 19354 9969 1 15 . 1 1 28 28 TYR H H 28 8.870 8.870 8.816 0.054 19354 9970 1 15 . 1 1 29 29 PRO HA H 29 4.836 4.836 4.933 -0.097 19354 9971 1 15 . 1 1 29 29 PRO CA C 29 61.773 61.773 62.917 -1.144 19354 9972 1 15 . 1 1 29 29 PRO CB C 29 31.173 31.173 31.728 -0.555 19354 9973 1 15 . 1 1 30 30 THR N N 30 115.177 115.177 118.664 -3.487 19354 9974 1 15 . 1 1 30 30 THR HA H 30 4.253 4.253 4.410 -0.157 19354 9975 1 15 . 1 1 30 30 THR C C 30 173.688 173.688 175.557 -1.869 19354 9976 1 15 . 1 1 30 30 THR CA C 30 61.324 61.324 64.084 -2.760 19354 9977 1 15 . 1 1 30 30 THR CB C 30 70.191 70.191 69.174 1.017 19354 9978 1 15 . 1 1 30 30 THR H H 30 7.978 7.978 8.713 -0.735 19354 9979 1 15 . 1 1 31 31 SER N N 31 116.822 116.822 114.121 2.701 19354 9980 1 15 . 1 1 31 31 SER HA H 31 4.702 4.702 4.736 -0.034 19354 9981 1 15 . 1 1 31 31 SER C C 31 175.079 175.079 174.563 0.516 19354 9982 1 15 . 1 1 31 31 SER CA C 31 57.057 57.057 57.124 -0.067 19354 9983 1 15 . 1 1 31 31 SER CB C 31 66.020 66.020 65.002 1.018 19354 9984 1 15 . 1 1 31 31 SER H H 31 8.451 8.451 8.064 0.387 19354 9985 1 15 . 1 1 32 32 ASN N N 32 118.803 118.803 120.437 -1.634 19354 9986 1 15 . 1 1 32 32 ASN HA H 32 4.385 4.385 4.562 -0.177 19354 9987 1 15 . 1 1 32 32 ASN C C 32 175.705 175.705 176.046 -0.341 19354 9988 1 15 . 1 1 32 32 ASN CA C 32 55.564 55.564 55.565 -0.001 19354 9989 1 15 . 1 1 32 32 ASN CB C 32 37.637 37.637 38.854 -1.217 19354 9990 1 15 . 1 1 32 32 ASN H H 32 8.802 8.802 8.747 0.055 19354 9991 1 15 . 1 1 33 33 ALA N N 33 118.571 118.571 120.692 -2.121 19354 9992 1 15 . 1 1 33 33 ALA HA H 33 4.262 4.262 4.384 -0.122 19354 9993 1 15 . 1 1 33 33 ALA C C 33 179.229 179.229 177.327 1.902 19354 9994 1 15 . 1 1 33 33 ALA CA C 33 53.087 53.087 53.647 -0.560 19354 9995 1 15 . 1 1 33 33 ALA CB C 33 19.563 19.563 19.588 -0.025 19354 9996 1 15 . 1 1 33 33 ALA H H 33 8.004 8.004 7.795 0.209 19354 9997 1 15 . 1 1 34 34 THR N N 34 106.312 106.312 110.233 -3.921 19354 9998 1 15 . 1 1 34 34 THR HA H 34 4.581 4.581 4.300 0.281 19354 9999 1 15 . 1 1 34 34 THR C C 34 175.334 175.334 173.046 2.288 19354 10000 1 15 . 1 1 34 34 THR CA C 34 60.586 60.586 61.901 -1.315 19354 10001 1 15 . 1 1 34 34 THR CB C 34 70.195 70.195 69.662 0.533 19354 10002 1 15 . 1 1 34 34 THR H H 34 7.551 7.551 7.614 -0.063 19354 10003 1 15 . 1 1 35 35 ASN N N 35 122.599 122.599 125.082 -2.483 19354 10004 1 15 . 1 1 35 35 ASN HA H 35 4.528 4.528 4.655 -0.127 19354 10005 1 15 . 1 1 35 35 ASN C C 35 174.221 174.221 174.932 -0.711 19354 10006 1 15 . 1 1 35 35 ASN CA C 35 52.790 52.790 53.391 -0.601 19354 10007 1 15 . 1 1 35 35 ASN CB C 35 36.768 36.768 39.593 -2.825 19354 10008 1 15 . 1 1 35 35 ASN H H 35 7.897 7.897 8.661 -0.764 19354 10009 1 15 . 1 1 36 36 THR N N 36 107.151 107.151 115.660 -8.509 19354 10010 1 15 . 1 1 36 36 THR HA H 36 4.979 4.979 4.478 0.501 19354 10011 1 15 . 1 1 36 36 THR C C 36 173.651 173.651 172.527 1.124 19354 10012 1 15 . 1 1 36 36 THR CA C 36 59.011 59.011 61.550 -2.539 19354 10013 1 15 . 1 1 36 36 THR CB C 36 72.745 72.745 71.626 1.119 19354 10014 1 15 . 1 1 36 36 THR H H 36 7.490 7.490 8.439 -0.949 19354 10015 1 15 . 1 1 37 37 CYS N N 37 118.809 118.809 122.802 -3.993 19354 10016 1 15 . 1 1 37 37 CYS HA H 37 4.095 4.095 4.864 -0.769 19354 10017 1 15 . 1 1 37 37 CYS C C 37 173.688 173.688 173.838 -0.150 19354 10018 1 15 . 1 1 37 37 CYS CA C 37 55.634 55.634 58.806 -3.171 19354 10019 1 15 . 1 1 37 37 CYS CB C 37 45.854 45.854 28.837 17.017 19354 10020 1 15 . 1 1 37 37 CYS H H 37 8.632 8.632 8.445 0.187 19354 10021 1 15 . 1 1 38 38 PHE N N 38 128.190 128.190 125.980 2.210 19354 10022 1 15 . 1 1 38 38 PHE HA H 38 4.275 4.275 4.280 -0.005 19354 10023 1 15 . 1 1 38 38 PHE C C 38 176.261 176.261 176.300 -0.039 19354 10024 1 15 . 1 1 38 38 PHE CA C 38 59.067 59.067 58.477 0.590 19354 10025 1 15 . 1 1 38 38 PHE CB C 38 36.576 36.576 37.817 -1.241 19354 10026 1 15 . 1 1 38 38 PHE H H 38 9.018 9.018 9.176 -0.158 19354 10027 1 15 . 1 1 39 39 GLY N N 39 104.504 104.504 106.956 -2.452 19354 10028 1 15 . 1 1 39 39 GLY C C 39 174.173 174.173 173.611 0.562 19354 10029 1 15 . 1 1 39 39 GLY CA C 39 45.112 45.112 45.454 -0.342 19354 10030 1 15 . 1 1 39 39 GLY H H 39 8.566 8.566 8.617 -0.051 19354 10031 1 15 . 1 1 40 40 SER N N 40 116.201 116.201 115.855 0.346 19354 10032 1 15 . 1 1 40 40 SER HA H 40 4.529 4.529 4.568 -0.039 19354 10033 1 15 . 1 1 40 40 SER C C 40 173.873 173.873 173.742 0.131 19354 10034 1 15 . 1 1 40 40 SER CA C 40 57.436 57.436 57.228 0.208 19354 10035 1 15 . 1 1 40 40 SER CB C 40 63.718 63.718 65.173 -1.455 19354 10036 1 15 . 1 1 40 40 SER H H 40 7.533 7.533 7.550 -0.017 19354 10037 1 15 . 1 1 41 41 LYS N N 41 127.456 127.456 127.614 -0.158 19354 10038 1 15 . 1 1 41 41 LYS HA H 41 4.056 4.056 4.030 0.026 19354 10039 1 15 . 1 1 41 41 LYS C C 41 176.632 176.632 176.369 0.263 19354 10040 1 15 . 1 1 41 41 LYS CA C 41 56.409 56.409 57.115 -0.706 19354 10041 1 15 . 1 1 41 41 LYS CB C 41 32.169 32.169 32.532 -0.363 19354 10042 1 15 . 1 1 41 41 LYS H H 41 8.768 8.768 8.490 0.278 19354 10043 1 15 . 1 1 42 42 LEU N N 42 128.016 128.016 125.562 2.454 19354 10044 1 15 . 1 1 42 42 LEU HA H 42 4.120 4.120 4.277 -0.157 19354 10045 1 15 . 1 1 42 42 LEU CA C 42 52.010 52.010 51.694 0.316 19354 10046 1 15 . 1 1 42 42 LEU CB C 42 40.680 40.680 40.222 0.458 19354 10047 1 15 . 1 1 42 42 LEU H H 42 8.304 8.304 8.320 -0.016 19354 10048 1 15 . 1 1 43 43 PRO HA H 43 4.453 4.453 4.189 0.264 19354 10049 1 15 . 1 1 43 43 PRO CA C 43 62.807 62.807 63.911 -1.104 19354 10050 1 15 . 1 1 43 43 PRO CB C 43 29.625 29.625 31.802 -2.177 19354 10051 1 15 . 1 1 44 44 TYR N N 44 116.871 116.871 113.904 2.967 19354 10052 1 15 . 1 1 44 44 TYR HA H 44 4.689 4.689 4.755 -0.066 19354 10053 1 15 . 1 1 44 44 TYR C C 44 175.239 175.239 174.702 0.537 19354 10054 1 15 . 1 1 44 44 TYR CA C 44 53.718 53.718 55.535 -1.817 19354 10055 1 15 . 1 1 44 44 TYR CB C 44 38.637 38.637 39.738 -1.101 19354 10056 1 15 . 1 1 44 44 TYR H H 44 6.311 6.311 6.572 -0.261 19354 10057 1 15 . 1 1 45 45 GLU N N 45 118.221 118.221 117.347 0.874 19354 10058 1 15 . 1 1 45 45 GLU HA H 45 4.138 4.138 4.627 -0.489 19354 10059 1 15 . 1 1 45 45 GLU C C 45 176.282 176.282 174.818 1.464 19354 10060 1 15 . 1 1 45 45 GLU CA C 45 57.502 57.502 56.102 1.400 19354 10061 1 15 . 1 1 45 45 GLU CB C 45 31.105 31.105 31.132 -0.027 19354 10062 1 15 . 1 1 45 45 GLU H H 45 8.591 8.591 8.829 -0.238 19354 10063 1 15 . 1 1 46 46 LEU N N 46 119.826 119.826 120.052 -0.226 19354 10064 1 15 . 1 1 46 46 LEU HA H 46 4.974 4.974 5.376 -0.402 19354 10065 1 15 . 1 1 46 46 LEU C C 46 175.420 175.420 175.707 -0.287 19354 10066 1 15 . 1 1 46 46 LEU CA C 46 53.202 53.202 53.494 -0.292 19354 10067 1 15 . 1 1 46 46 LEU CB C 46 43.587 43.587 45.363 -1.776 19354 10068 1 15 . 1 1 46 46 LEU H H 46 8.176 8.176 7.797 0.379 19354 10069 1 15 . 1 1 47 47 SER N N 47 111.561 111.561 113.462 -1.901 19354 10070 1 15 . 1 1 47 47 SER HA H 47 5.020 5.020 4.438 0.582 19354 10071 1 15 . 1 1 47 47 SER C C 47 173.833 173.833 171.744 2.089 19354 10072 1 15 . 1 1 47 47 SER CA C 47 53.006 53.006 56.847 -3.841 19354 10073 1 15 . 1 1 47 47 SER CB C 47 64.691 64.691 65.189 -0.498 19354 10074 1 15 . 1 1 47 47 SER H H 47 7.924 7.924 8.387 -0.463 19354 10075 1 15 . 1 1 48 48 SER N N 48 111.459 111.459 120.045 -8.586 19354 10076 1 15 . 1 1 48 48 SER HA H 48 4.841 4.841 4.997 -0.156 19354 10077 1 15 . 1 1 48 48 SER C C 48 175.602 175.602 175.162 0.440 19354 10078 1 15 . 1 1 48 48 SER CA C 48 57.388 57.388 55.731 1.657 19354 10079 1 15 . 1 1 48 48 SER CB C 48 66.333 66.333 63.970 2.363 19354 10080 1 15 . 1 1 48 48 SER H H 48 8.628 8.628 8.455 0.173 19354 10081 1 15 . 1 1 49 49 LEU N N 49 128.995 128.995 130.979 -1.984 19354 10082 1 15 . 1 1 49 49 LEU HA H 49 4.383 4.383 4.397 -0.014 19354 10083 1 15 . 1 1 49 49 LEU C C 49 179.571 179.571 178.360 1.211 19354 10084 1 15 . 1 1 49 49 LEU CA C 49 56.032 56.032 57.191 -1.159 19354 10085 1 15 . 1 1 49 49 LEU CB C 49 41.904 41.904 41.589 0.315 19354 10086 1 15 . 1 1 49 49 LEU H H 49 9.519 9.519 9.316 0.203 19354 10087 1 15 . 1 1 50 50 ASP N N 50 115.013 115.013 119.910 -4.897 19354 10088 1 15 . 1 1 50 50 ASP HA H 50 4.168 4.168 4.462 -0.294 19354 10089 1 15 . 1 1 50 50 ASP C C 50 176.486 176.486 177.861 -1.375 19354 10090 1 15 . 1 1 50 50 ASP CA C 50 58.352 58.352 56.857 1.495 19354 10091 1 15 . 1 1 50 50 ASP CB C 50 41.259 41.259 40.916 0.343 19354 10092 1 15 . 1 1 50 50 ASP H H 50 8.191 8.191 7.841 0.350 19354 10093 1 15 . 1 1 51 51 LEU N N 51 118.298 118.298 118.408 -0.110 19354 10094 1 15 . 1 1 51 51 LEU HA H 51 4.329 4.329 4.152 0.177 19354 10095 1 15 . 1 1 51 51 LEU C C 51 175.556 175.556 176.173 -0.617 19354 10096 1 15 . 1 1 51 51 LEU CA C 51 54.483 54.483 56.257 -1.774 19354 10097 1 15 . 1 1 51 51 LEU CB C 51 39.219 39.219 42.724 -3.505 19354 10098 1 15 . 1 1 51 51 LEU H H 51 8.732 8.732 7.656 1.076 19354 10099 1 15 . 1 1 52 52 THR N N 52 106.427 106.427 109.011 -2.584 19354 10100 1 15 . 1 1 52 52 THR HA H 52 2.784 2.784 4.475 -1.691 19354 10101 1 15 . 1 1 52 52 THR C C 52 172.812 172.812 172.989 -0.177 19354 10102 1 15 . 1 1 52 52 THR CA C 52 58.759 58.759 59.472 -0.713 19354 10103 1 15 . 1 1 52 52 THR CB C 52 71.985 71.985 71.454 0.531 19354 10104 1 15 . 1 1 52 52 THR H H 52 7.574 7.574 7.451 0.123 19354 10105 1 15 . 1 1 53 53 ASP HA H 53 4.398 4.398 4.730 -0.332 19354 10106 1 15 . 1 1 53 53 ASP CA C 53 52.757 52.757 53.088 -0.331 19354 10107 1 15 . 1 1 53 53 ASP CB C 53 40.737 40.737 39.752 0.985 19354 10108 1 15 . 1 1 54 54 PHE N N 54 117.929 117.929 118.162 -0.233 19354 10109 1 15 . 1 1 54 54 PHE HA H 54 4.498 4.498 4.555 -0.057 19354 10110 1 15 . 1 1 54 54 PHE C C 54 176.169 176.169 175.170 0.999 19354 10111 1 15 . 1 1 54 54 PHE CA C 54 57.477 57.477 56.742 0.735 19354 10112 1 15 . 1 1 54 54 PHE CB C 54 39.270 39.270 41.737 -2.467 19354 10113 1 15 . 1 1 54 54 PHE H H 54 7.575 7.575 7.499 0.076 19354 10114 1 15 . 1 1 55 55 HIS N N 55 115.333 115.333 117.066 -1.733 19354 10115 1 15 . 1 1 55 55 HIS HA H 55 4.585 4.585 4.810 -0.225 19354 10116 1 15 . 1 1 55 55 HIS C C 55 175.080 175.080 174.679 0.401 19354 10117 1 15 . 1 1 55 55 HIS CA C 55 56.439 56.439 56.338 0.101 19354 10118 1 15 . 1 1 55 55 HIS CB C 55 31.104 31.104 31.491 -0.387 19354 10119 1 15 . 1 1 55 55 HIS H H 55 9.230 9.230 8.598 0.632 19354 10120 1 15 . 1 1 56 56 THR N N 56 106.891 106.891 111.849 -4.958 19354 10121 1 15 . 1 1 56 56 THR HA H 56 4.528 4.528 4.319 0.209 19354 10122 1 15 . 1 1 56 56 THR C C 56 173.696 173.696 174.116 -0.420 19354 10123 1 15 . 1 1 56 56 THR CA C 56 58.725 58.725 61.076 -2.351 19354 10124 1 15 . 1 1 56 56 THR CB C 56 72.851 72.851 69.623 3.228 19354 10125 1 15 . 1 1 56 56 THR H H 56 7.343 7.343 7.731 -0.388 19354 10126 1 15 . 1 1 57 57 GLU N N 57 121.798 121.798 124.043 -2.245 19354 10127 1 15 . 1 1 57 57 GLU HA H 57 3.611 3.611 3.853 -0.242 19354 10128 1 15 . 1 1 57 57 GLU C C 57 178.417 178.417 178.383 0.034 19354 10129 1 15 . 1 1 57 57 GLU CA C 57 59.380 59.380 59.997 -0.617 19354 10130 1 15 . 1 1 57 57 GLU CB C 57 29.873 29.873 29.575 0.298 19354 10131 1 15 . 1 1 57 57 GLU H H 57 8.841 8.841 8.722 0.119 19354 10132 1 15 . 1 1 58 58 LYS N N 58 121.091 121.091 117.281 3.810 19354 10133 1 15 . 1 1 58 58 LYS HA H 58 3.903 3.903 3.944 -0.041 19354 10134 1 15 . 1 1 58 58 LYS C C 58 177.745 177.745 178.751 -1.006 19354 10135 1 15 . 1 1 58 58 LYS CA C 58 59.470 59.470 59.199 0.271 19354 10136 1 15 . 1 1 58 58 LYS CB C 58 32.130 32.130 31.637 0.493 19354 10137 1 15 . 1 1 58 58 LYS H H 58 8.307 8.307 7.652 0.655 19354 10138 1 15 . 1 1 59 59 GLU N N 59 117.790 117.790 120.263 -2.473 19354 10139 1 15 . 1 1 59 59 GLU HA H 59 3.852 3.852 4.060 -0.208 19354 10140 1 15 . 1 1 59 59 GLU C C 59 178.051 178.051 178.515 -0.464 19354 10141 1 15 . 1 1 59 59 GLU CA C 59 59.094 59.094 58.975 0.119 19354 10142 1 15 . 1 1 59 59 GLU CB C 59 30.468 30.468 29.500 0.969 19354 10143 1 15 . 1 1 59 59 GLU H H 59 7.537 7.537 7.652 -0.115 19354 10144 1 15 . 1 1 60 60 LEU N N 60 118.763 118.763 121.032 -2.269 19354 10145 1 15 . 1 1 60 60 LEU HA H 60 3.211 3.211 2.307 0.904 19354 10146 1 15 . 1 1 60 60 LEU C C 60 178.070 178.070 178.432 -0.362 19354 10147 1 15 . 1 1 60 60 LEU CA C 60 59.007 59.007 57.458 1.549 19354 10148 1 15 . 1 1 60 60 LEU CB C 60 42.750 42.750 41.796 0.954 19354 10149 1 15 . 1 1 60 60 LEU H H 60 7.321 7.321 7.424 -0.103 19354 10150 1 15 . 1 1 61 61 ASN N N 61 116.987 116.987 116.285 0.702 19354 10151 1 15 . 1 1 61 61 ASN HA H 61 4.127 4.127 4.368 -0.241 19354 10152 1 15 . 1 1 61 61 ASN C C 61 177.689 177.689 177.530 0.159 19354 10153 1 15 . 1 1 61 61 ASN CA C 61 57.310 57.310 56.221 1.089 19354 10154 1 15 . 1 1 61 61 ASN CB C 61 39.288 39.288 38.621 0.667 19354 10155 1 15 . 1 1 61 61 ASN H H 61 8.335 8.335 7.990 0.345 19354 10156 1 15 . 1 1 62 62 ASP N N 62 120.935 120.935 119.789 1.146 19354 10157 1 15 . 1 1 62 62 ASP HA H 62 4.306 4.306 4.454 -0.148 19354 10158 1 15 . 1 1 62 62 ASP C C 62 178.868 178.868 178.343 0.525 19354 10159 1 15 . 1 1 62 62 ASP CA C 62 57.510 57.510 56.627 0.883 19354 10160 1 15 . 1 1 62 62 ASP CB C 62 39.596 39.596 40.627 -1.031 19354 10161 1 15 . 1 1 62 62 ASP H H 62 8.376 8.376 8.105 0.271 19354 10162 1 15 . 1 1 63 63 LYS N N 63 119.626 119.626 120.633 -1.007 19354 10163 1 15 . 1 1 63 63 LYS HA H 63 4.168 4.168 4.222 -0.054 19354 10164 1 15 . 1 1 63 63 LYS C C 63 179.458 179.458 178.157 1.301 19354 10165 1 15 . 1 1 63 63 LYS CA C 63 55.698 55.698 58.563 -2.865 19354 10166 1 15 . 1 1 63 63 LYS CB C 63 31.082 31.082 32.494 -1.412 19354 10167 1 15 . 1 1 63 63 LYS H H 63 7.748 7.748 7.778 -0.030 19354 10168 1 15 . 1 1 64 64 LEU N N 64 120.255 120.255 120.556 -0.301 19354 10169 1 15 . 1 1 64 64 LEU HA H 64 3.688 3.688 4.195 -0.507 19354 10170 1 15 . 1 1 64 64 LEU C C 64 178.732 178.732 178.761 -0.029 19354 10171 1 15 . 1 1 64 64 LEU CA C 64 57.722 57.722 58.469 -0.748 19354 10172 1 15 . 1 1 64 64 LEU CB C 64 41.236 41.236 41.733 -0.497 19354 10173 1 15 . 1 1 64 64 LEU H H 64 8.221 8.221 7.699 0.522 19354 10174 1 15 . 1 1 65 65 ASN N N 65 113.630 113.630 116.502 -2.872 19354 10175 1 15 . 1 1 65 65 ASN HA H 65 4.580 4.580 4.201 0.379 19354 10176 1 15 . 1 1 65 65 ASN C C 65 178.394 178.394 177.683 0.711 19354 10177 1 15 . 1 1 65 65 ASN CA C 65 55.628 55.628 56.306 -0.678 19354 10178 1 15 . 1 1 65 65 ASN CB C 65 38.269 38.269 37.737 0.532 19354 10179 1 15 . 1 1 65 65 ASN H H 65 7.482 7.482 7.811 -0.329 19354 10180 1 15 . 1 1 66 66 ASP N N 66 120.683 120.683 119.856 0.827 19354 10181 1 15 . 1 1 66 66 ASP HA H 66 4.482 4.482 4.350 0.132 19354 10182 1 15 . 1 1 66 66 ASP C C 66 179.095 179.095 178.745 0.350 19354 10183 1 15 . 1 1 66 66 ASP CA C 66 56.623 56.623 57.365 -0.742 19354 10184 1 15 . 1 1 66 66 ASP CB C 66 39.883 39.883 41.001 -1.118 19354 10185 1 15 . 1 1 66 66 ASP H H 66 7.834 7.834 8.035 -0.201 19354 10186 1 15 . 1 1 67 67 TYR N N 67 116.512 116.512 121.028 -4.516 19354 10187 1 15 . 1 1 67 67 TYR HA H 67 3.984 3.984 3.889 0.095 19354 10188 1 15 . 1 1 67 67 TYR C C 67 176.554 176.554 177.890 -1.336 19354 10189 1 15 . 1 1 67 67 TYR CA C 67 62.142 62.142 60.704 1.438 19354 10190 1 15 . 1 1 67 67 TYR CB C 67 37.436 37.436 37.968 -0.532 19354 10191 1 15 . 1 1 67 67 TYR H H 67 8.132 8.132 7.755 0.377 19354 10192 1 15 . 1 1 68 68 TYR N N 68 118.786 118.786 120.196 -1.410 19354 10193 1 15 . 1 1 68 68 TYR HA H 68 3.632 3.632 3.109 0.523 19354 10194 1 15 . 1 1 68 68 TYR C C 68 177.915 177.915 177.561 0.354 19354 10195 1 15 . 1 1 68 68 TYR CA C 68 61.395 61.395 61.685 -0.290 19354 10196 1 15 . 1 1 68 68 TYR CB C 68 37.345 37.345 37.318 0.027 19354 10197 1 15 . 1 1 68 68 TYR H H 68 7.558 7.558 8.234 -0.676 19354 10198 1 15 . 1 1 69 69 ALA N N 69 120.715 120.715 121.692 -0.977 19354 10199 1 15 . 1 1 69 69 ALA HA H 69 3.935 3.935 3.882 0.053 19354 10200 1 15 . 1 1 69 69 ALA C C 69 179.390 179.390 178.957 0.433 19354 10201 1 15 . 1 1 69 69 ALA CA C 69 54.015 54.015 54.625 -0.610 19354 10202 1 15 . 1 1 69 69 ALA CB C 69 18.529 18.529 18.043 0.486 19354 10203 1 15 . 1 1 69 69 ALA H H 69 7.453 7.453 7.687 -0.234 19354 10204 1 15 . 1 1 70 70 LEU N N 70 117.212 117.212 119.162 -1.950 19354 10205 1 15 . 1 1 70 70 LEU HA H 70 3.765 3.765 3.984 -0.219 19354 10206 1 15 . 1 1 70 70 LEU C C 70 177.280 177.280 178.066 -0.786 19354 10207 1 15 . 1 1 70 70 LEU CA C 70 56.634 56.634 57.019 -0.385 19354 10208 1 15 . 1 1 70 70 LEU CB C 70 41.045 41.045 41.989 -0.944 19354 10209 1 15 . 1 1 70 70 LEU H H 70 7.764 7.764 7.960 -0.196 19354 10210 1 15 . 1 1 71 71 LYS N N 71 118.756 118.756 118.705 0.051 19354 10211 1 15 . 1 1 71 71 LYS HA H 71 3.039 3.039 3.347 -0.308 19354 10212 1 15 . 1 1 71 71 LYS C C 71 177.121 177.121 177.870 -0.749 19354 10213 1 15 . 1 1 71 71 LYS CA C 71 58.865 58.865 58.647 0.218 19354 10214 1 15 . 1 1 71 71 LYS CB C 71 31.247 31.247 30.859 0.388 19354 10215 1 15 . 1 1 71 71 LYS H H 71 7.001 7.001 7.866 -0.865 19354 10216 1 15 . 1 1 72 72 HIS N N 72 113.331 113.331 118.260 -4.929 19354 10217 1 15 . 1 1 72 72 HIS HA H 72 4.304 4.304 4.250 0.054 19354 10218 1 15 . 1 1 72 72 HIS C C 72 174.232 174.232 176.194 -1.962 19354 10219 1 15 . 1 1 72 72 HIS CA C 72 57.245 57.245 58.604 -1.359 19354 10220 1 15 . 1 1 72 72 HIS CB C 72 30.221 30.221 30.228 -0.007 19354 10221 1 15 . 1 1 72 72 HIS H H 72 6.973 6.973 7.614 -0.641 19354 10222 1 15 . 1 1 73 73 VAL N N 73 121.486 121.486 120.081 1.405 19354 10223 1 15 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.361 0.170 19354 10224 1 15 . 1 1 73 73 VAL CA C 73 59.159 59.159 60.466 -1.307 19354 10225 1 15 . 1 1 73 73 VAL CB C 73 30.604 30.604 32.447 -1.843 19354 10226 1 15 . 1 1 73 73 VAL H H 73 7.821 7.821 7.791 0.030 19354 10227 1 15 . 1 1 74 74 PRO HA H 74 4.070 4.070 4.494 -0.424 19354 10228 1 15 . 1 1 74 74 PRO CA C 74 66.637 66.637 65.296 1.341 19354 10229 1 15 . 1 1 74 74 PRO CB C 74 32.212 32.212 32.293 -0.081 19354 10230 1 15 . 1 1 75 75 LYS N N 75 116.832 116.832 118.098 -1.266 19354 10231 1 15 . 1 1 75 75 LYS HA H 75 4.099 4.099 4.196 -0.097 19354 10232 1 15 . 1 1 75 75 LYS C C 75 180.048 180.048 177.846 2.202 19354 10233 1 15 . 1 1 75 75 LYS CA C 75 59.398 59.398 58.554 0.844 19354 10234 1 15 . 1 1 75 75 LYS CB C 75 31.296 31.296 31.222 0.074 19354 10235 1 15 . 1 1 75 75 LYS H H 75 9.234 9.234 8.759 0.475 19354 10236 1 15 . 1 1 76 76 CYS N N 76 116.333 116.333 114.932 1.401 19354 10237 1 15 . 1 1 76 76 CYS HA H 76 4.320 4.320 4.732 -0.412 19354 10238 1 15 . 1 1 76 76 CYS C C 76 175.012 175.012 175.704 -0.692 19354 10239 1 15 . 1 1 76 76 CYS CA C 76 58.297 58.297 59.969 -1.672 19354 10240 1 15 . 1 1 76 76 CYS CB C 76 38.803 38.803 26.912 11.892 19354 10241 1 15 . 1 1 76 76 CYS H H 76 7.496 7.496 7.604 -0.108 19354 10242 1 15 . 1 1 77 77 TRP N N 77 119.987 119.987 122.584 -2.597 19354 10243 1 15 . 1 1 77 77 TRP HA H 77 4.452 4.452 4.505 -0.053 19354 10244 1 15 . 1 1 77 77 TRP C C 77 177.462 177.462 177.354 0.108 19354 10245 1 15 . 1 1 77 77 TRP CA C 77 58.821 58.821 59.272 -0.451 19354 10246 1 15 . 1 1 77 77 TRP CB C 77 30.425 30.425 30.270 0.154 19354 10247 1 15 . 1 1 77 77 TRP H H 77 8.254 8.254 7.992 0.262 19354 10248 1 15 . 1 1 78 78 ALA N N 78 116.093 116.093 120.611 -4.518 19354 10249 1 15 . 1 1 78 78 ALA HA H 78 3.736 3.736 3.793 -0.057 19354 10250 1 15 . 1 1 78 78 ALA C C 78 178.845 178.845 179.365 -0.520 19354 10251 1 15 . 1 1 78 78 ALA CA C 78 54.188 54.188 54.079 0.109 19354 10252 1 15 . 1 1 78 78 ALA CB C 78 18.323 18.323 17.769 0.554 19354 10253 1 15 . 1 1 78 78 ALA H H 78 7.968 7.968 8.202 -0.234 19354 10254 1 15 . 1 1 79 79 ALA N N 79 116.351 116.351 120.529 -4.178 19354 10255 1 15 . 1 1 79 79 ALA HA H 79 4.147 4.147 4.197 -0.050 19354 10256 1 15 . 1 1 79 79 ALA C C 79 178.414 178.414 177.380 1.034 19354 10257 1 15 . 1 1 79 79 ALA CA C 79 53.243 53.243 53.941 -0.698 19354 10258 1 15 . 1 1 79 79 ALA CB C 79 19.832 19.832 19.037 0.795 19354 10259 1 15 . 1 1 79 79 ALA H H 79 6.929 6.929 8.185 -1.256 19354 10260 1 15 . 1 1 80 80 ILE N N 80 115.150 115.150 116.741 -1.591 19354 10261 1 15 . 1 1 80 80 ILE HA H 80 4.218 4.218 4.464 -0.246 19354 10262 1 15 . 1 1 80 80 ILE C C 80 176.350 176.350 175.855 0.495 19354 10263 1 15 . 1 1 80 80 ILE CA C 80 62.069 62.069 59.539 2.530 19354 10264 1 15 . 1 1 80 80 ILE CB C 80 39.375 39.375 38.943 0.432 19354 10265 1 15 . 1 1 80 80 ILE H H 80 8.695 8.695 7.500 1.195 19354 10266 1 15 . 1 1 81 81 GLN N N 81 122.564 122.564 122.305 0.259 19354 10267 1 15 . 1 1 81 81 GLN HA H 81 3.332 3.332 4.036 -0.704 19354 10268 1 15 . 1 1 81 81 GLN C C 81 173.470 173.470 175.131 -1.661 19354 10269 1 15 . 1 1 81 81 GLN CA C 81 61.829 61.829 61.578 0.251 19354 10270 1 15 . 1 1 81 81 GLN CB C 81 25.973 25.973 27.066 -1.093 19354 10271 1 15 . 1 1 81 81 GLN H H 81 7.315 7.315 7.399 -0.084 19354 10272 1 15 . 1 1 82 82 PRO HA H 82 4.076 4.076 4.229 -0.153 19354 10273 1 15 . 1 1 82 82 PRO CA C 82 65.894 65.894 65.081 0.813 19354 10274 1 15 . 1 1 82 82 PRO CB C 82 30.481 30.481 31.452 -0.971 19354 10275 1 15 . 1 1 83 83 PHE N N 83 119.137 119.137 119.406 -0.269 19354 10276 1 15 . 1 1 83 83 PHE HA H 83 4.289 4.289 4.340 -0.051 19354 10277 1 15 . 1 1 83 83 PHE C C 83 175.919 175.919 176.266 -0.347 19354 10278 1 15 . 1 1 83 83 PHE CA C 83 59.712 59.712 57.884 1.828 19354 10279 1 15 . 1 1 83 83 PHE CB C 83 39.329 39.329 38.575 0.754 19354 10280 1 15 . 1 1 83 83 PHE H H 83 6.892 6.892 7.982 -1.090 19354 10281 1 15 . 1 1 84 84 LEU N N 84 116.693 116.693 119.740 -3.047 19354 10282 1 15 . 1 1 84 84 LEU HA H 84 3.611 3.611 3.725 -0.114 19354 10283 1 15 . 1 1 84 84 LEU C C 84 180.297 180.297 178.191 2.106 19354 10284 1 15 . 1 1 84 84 LEU CA C 84 57.952 57.952 57.839 0.113 19354 10285 1 15 . 1 1 84 84 LEU CB C 84 41.645 41.645 40.487 1.158 19354 10286 1 15 . 1 1 84 84 LEU H H 84 8.589 8.589 7.934 0.655 19354 10287 1 15 . 1 1 85 85 CYS N N 85 115.085 115.085 116.534 -1.449 19354 10288 1 15 . 1 1 85 85 CYS HA H 85 4.127 4.127 4.294 -0.167 19354 10289 1 15 . 1 1 85 85 CYS C C 85 175.556 175.556 176.712 -1.156 19354 10290 1 15 . 1 1 85 85 CYS CA C 85 57.678 57.678 61.735 -4.057 19354 10291 1 15 . 1 1 85 85 CYS CB C 85 39.396 39.396 26.345 13.052 19354 10292 1 15 . 1 1 85 85 CYS H H 85 8.001 8.001 7.459 0.542 19354 10293 1 15 . 1 1 86 86 ALA N N 86 121.743 121.743 120.956 0.787 19354 10294 1 15 . 1 1 86 86 ALA HA H 86 3.922 3.922 4.299 -0.377 19354 10295 1 15 . 1 1 86 86 ALA C C 86 177.745 177.745 177.610 0.135 19354 10296 1 15 . 1 1 86 86 ALA CA C 86 54.306 54.306 53.730 0.577 19354 10297 1 15 . 1 1 86 86 ALA CB C 86 18.778 18.778 18.175 0.603 19354 10298 1 15 . 1 1 86 86 ALA H H 86 7.671 7.671 7.495 0.176 19354 10299 1 15 . 1 1 87 87 VAL N N 87 115.667 115.667 116.576 -0.909 19354 10300 1 15 . 1 1 87 87 VAL HA H 87 3.735 3.735 3.395 0.340 19354 10301 1 15 . 1 1 87 87 VAL C C 87 175.806 175.806 176.033 -0.227 19354 10302 1 15 . 1 1 87 87 VAL CA C 87 64.622 64.622 64.467 0.155 19354 10303 1 15 . 1 1 87 87 VAL CB C 87 32.936 32.936 31.786 1.150 19354 10304 1 15 . 1 1 87 87 VAL H H 87 7.460 7.460 7.175 0.285 19354 10305 1 15 . 1 1 88 88 PHE N N 88 115.306 115.306 115.256 0.050 19354 10306 1 15 . 1 1 88 88 PHE HA H 88 4.048 4.048 4.543 -0.495 19354 10307 1 15 . 1 1 88 88 PHE C C 88 176.192 176.192 175.526 0.666 19354 10308 1 15 . 1 1 88 88 PHE CA C 88 60.420 60.420 59.089 1.331 19354 10309 1 15 . 1 1 88 88 PHE CB C 88 40.182 40.182 39.958 0.224 19354 10310 1 15 . 1 1 88 88 PHE H H 88 8.930 8.930 7.466 1.464 19354 10311 1 15 . 1 1 89 89 LYS N N 89 115.470 115.470 119.178 -3.708 19354 10312 1 15 . 1 1 89 89 LYS HA H 89 4.816 4.816 4.837 -0.021 19354 10313 1 15 . 1 1 89 89 LYS C C 89 184.176 184.176 174.406 9.770 19354 10314 1 15 . 1 1 89 89 LYS CA C 89 53.428 53.428 53.532 -0.104 19354 10315 1 15 . 1 1 89 89 LYS CB C 89 33.274 33.274 32.248 1.026 19354 10316 1 15 . 1 1 89 89 LYS H H 89 7.802 7.802 7.743 0.059 19354 10317 1 15 . 1 1 90 90 PRO HA H 90 4.250 4.250 4.282 -0.032 19354 10318 1 15 . 1 1 90 90 PRO CA C 90 62.682 62.682 62.420 0.262 19354 10319 1 15 . 1 1 90 90 PRO CB C 90 32.358 32.358 32.493 -0.135 19354 10320 1 15 . 1 1 91 91 LYS N N 91 122.391 122.391 119.450 2.941 19354 10321 1 15 . 1 1 91 91 LYS HA H 91 3.039 3.039 3.379 -0.340 19354 10322 1 15 . 1 1 91 91 LYS C C 91 173.356 173.356 174.817 -1.461 19354 10323 1 15 . 1 1 91 91 LYS CA C 91 58.027 58.027 55.381 2.646 19354 10324 1 15 . 1 1 91 91 LYS CB C 91 31.285 31.285 33.075 -1.790 19354 10325 1 15 . 1 1 91 91 LYS H H 91 8.537 8.537 8.009 0.528 19354 10326 1 15 . 1 1 92 92 CYS N N 92 127.562 127.562 127.016 0.546 19354 10327 1 15 . 1 1 92 92 CYS HA H 92 5.391 5.391 5.142 0.249 19354 10328 1 15 . 1 1 92 92 CYS C C 92 171.655 171.655 173.360 -1.705 19354 10329 1 15 . 1 1 92 92 CYS CA C 92 53.804 53.804 58.134 -4.330 19354 10330 1 15 . 1 1 92 92 CYS CB C 92 41.219 41.219 28.204 13.015 19354 10331 1 15 . 1 1 92 92 CYS H H 92 7.037 7.037 8.614 -1.577 19354 10332 1 15 . 1 1 93 93 GLU N N 93 124.483 124.483 126.263 -1.780 19354 10333 1 15 . 1 1 93 93 GLU HA H 93 4.492 4.492 4.788 -0.296 19354 10334 1 15 . 1 1 93 93 GLU C C 93 173.371 173.371 174.932 -1.561 19354 10335 1 15 . 1 1 93 93 GLU CA C 93 54.874 54.874 54.255 0.619 19354 10336 1 15 . 1 1 93 93 GLU CB C 93 34.630 34.630 33.756 0.874 19354 10337 1 15 . 1 1 93 93 GLU H H 93 9.401 9.401 8.460 0.941 19354 10338 1 15 . 1 1 94 94 LYS N N 94 122.694 122.694 120.933 1.761 19354 10339 1 15 . 1 1 94 94 LYS HA H 94 4.581 4.581 4.758 -0.177 19354 10340 1 15 . 1 1 94 94 LYS C C 94 176.509 176.509 176.679 -0.170 19354 10341 1 15 . 1 1 94 94 LYS CA C 94 55.856 55.856 55.395 0.461 19354 10342 1 15 . 1 1 94 94 LYS CB C 94 31.809 31.809 33.014 -1.205 19354 10343 1 15 . 1 1 94 94 LYS H H 94 8.526 8.526 8.554 -0.028 19354 10344 1 15 . 1 1 95 95 ILE N N 95 128.382 128.382 127.042 1.340 19354 10345 1 15 . 1 1 95 95 ILE HA H 95 4.049 4.049 4.128 -0.079 19354 10346 1 15 . 1 1 95 95 ILE C C 95 176.337 176.337 175.967 0.370 19354 10347 1 15 . 1 1 95 95 ILE CA C 95 60.847 60.847 60.648 0.199 19354 10348 1 15 . 1 1 95 95 ILE CB C 95 39.625 39.625 38.060 1.565 19354 10349 1 15 . 1 1 95 95 ILE H H 95 9.001 9.001 8.633 0.368 19354 10350 1 15 . 1 1 96 96 ASN N N 96 127.596 127.596 127.602 -0.006 19354 10351 1 15 . 1 1 96 96 ASN HA H 96 4.212 4.212 4.399 -0.187 19354 10352 1 15 . 1 1 96 96 ASN C C 96 175.496 175.496 175.116 0.380 19354 10353 1 15 . 1 1 96 96 ASN CA C 96 53.970 53.970 53.602 0.368 19354 10354 1 15 . 1 1 96 96 ASN CB C 96 37.238 37.238 38.049 -0.811 19354 10355 1 15 . 1 1 96 96 ASN H H 96 9.474 9.474 9.367 0.107 19354 10356 1 15 . 1 1 97 97 GLY N N 97 101.656 101.656 102.907 -1.251 19354 10357 1 15 . 1 1 97 97 GLY C C 97 173.651 173.651 173.611 0.040 19354 10358 1 15 . 1 1 97 97 GLY CA C 97 45.167 45.167 44.865 0.302 19354 10359 1 15 . 1 1 97 97 GLY H H 97 8.476 8.476 8.154 0.322 19354 10360 1 15 . 1 1 98 98 GLU N N 98 120.042 120.042 120.492 -0.450 19354 10361 1 15 . 1 1 98 98 GLU HA H 98 4.587 4.587 4.492 0.095 19354 10362 1 15 . 1 1 98 98 GLU C C 98 174.422 174.422 175.155 -0.733 19354 10363 1 15 . 1 1 98 98 GLU CA C 98 54.294 54.294 54.350 -0.056 19354 10364 1 15 . 1 1 98 98 GLU CB C 98 32.934 32.934 31.437 1.497 19354 10365 1 15 . 1 1 98 98 GLU H H 98 7.591 7.591 7.817 -0.226 19354 10366 1 15 . 1 1 99 99 ASP N N 99 126.603 126.603 127.780 -1.177 19354 10367 1 15 . 1 1 99 99 ASP HA H 99 4.340 4.340 4.563 -0.223 19354 10368 1 15 . 1 1 99 99 ASP C C 99 176.214 176.214 175.489 0.725 19354 10369 1 15 . 1 1 99 99 ASP CA C 99 55.408 55.408 55.848 -0.440 19354 10370 1 15 . 1 1 99 99 ASP CB C 99 41.629 41.629 40.448 1.181 19354 10371 1 15 . 1 1 99 99 ASP H H 99 8.489 8.489 8.795 -0.306 19354 10372 1 15 . 1 1 100 100 MET N N 100 121.977 121.977 121.782 0.195 19354 10373 1 15 . 1 1 100 100 MET HA H 100 4.911 4.911 5.448 -0.537 19354 10374 1 15 . 1 1 100 100 MET C C 100 172.900 172.900 174.726 -1.826 19354 10375 1 15 . 1 1 100 100 MET CA C 100 53.649 53.649 53.751 -0.102 19354 10376 1 15 . 1 1 100 100 MET CB C 100 35.529 35.529 36.839 -1.310 19354 10377 1 15 . 1 1 100 100 MET H H 100 8.853 8.853 8.830 0.023 19354 10378 1 15 . 1 1 101 101 VAL N N 101 119.963 119.963 113.693 6.270 19354 10379 1 15 . 1 1 101 101 VAL HA H 101 4.814 4.814 4.698 0.116 19354 10380 1 15 . 1 1 101 101 VAL C C 101 172.991 172.991 173.800 -0.809 19354 10381 1 15 . 1 1 101 101 VAL CA C 101 58.203 58.203 59.400 -1.197 19354 10382 1 15 . 1 1 101 101 VAL CB C 101 34.629 34.629 34.419 0.210 19354 10383 1 15 . 1 1 101 101 VAL H H 101 8.964 8.964 8.263 0.701 19354 10384 1 15 . 1 1 102 102 TYR N N 102 125.849 125.849 120.425 5.424 19354 10385 1 15 . 1 1 102 102 TYR HA H 102 4.444 4.444 4.794 -0.350 19354 10386 1 15 . 1 1 102 102 TYR C C 102 176.464 176.464 175.942 0.522 19354 10387 1 15 . 1 1 102 102 TYR CA C 102 57.549 57.549 57.125 0.424 19354 10388 1 15 . 1 1 102 102 TYR CB C 102 38.274 38.274 39.939 -1.665 19354 10389 1 15 . 1 1 102 102 TYR H H 102 8.137 8.137 8.464 -0.327 19354 10390 1 15 . 1 1 103 103 LEU N N 103 123.151 123.151 122.860 0.291 19354 10391 1 15 . 1 1 103 103 LEU HA H 103 4.683 4.683 4.858 -0.175 19354 10392 1 15 . 1 1 103 103 LEU CA C 103 52.426 52.426 51.542 0.883 19354 10393 1 15 . 1 1 103 103 LEU CB C 103 42.038 42.038 40.996 1.042 19354 10394 1 15 . 1 1 103 103 LEU H H 103 8.308 8.308 8.014 0.294 19354 10395 1 15 . 1 1 104 104 PRO HA H 104 4.678 4.678 4.473 0.205 19354 10396 1 15 . 1 1 104 104 PRO CA C 104 61.704 61.704 62.896 -1.192 19354 10397 1 15 . 1 1 104 104 PRO CB C 104 32.020 32.020 31.962 0.058 19354 10398 1 15 . 1 1 105 105 SER N N 105 113.955 113.955 118.430 -4.475 19354 10399 1 15 . 1 1 105 105 SER HA H 105 4.632 4.632 4.476 0.156 19354 10400 1 15 . 1 1 105 105 SER C C 105 175.473 175.473 175.578 -0.105 19354 10401 1 15 . 1 1 105 105 SER CA C 105 56.324 56.324 58.170 -1.846 19354 10402 1 15 . 1 1 105 105 SER CB C 105 65.193 65.193 64.965 0.228 19354 10403 1 15 . 1 1 105 105 SER H H 105 7.668 7.668 8.466 -0.798 19354 10404 1 15 . 1 1 106 106 TYR N N 106 122.582 122.582 120.501 2.081 19354 10405 1 15 . 1 1 106 106 TYR HA H 106 3.724 3.724 4.119 -0.395 19354 10406 1 15 . 1 1 106 106 TYR C C 106 178.116 178.116 176.870 1.246 19354 10407 1 15 . 1 1 106 106 TYR CA C 106 62.057 62.057 60.163 1.895 19354 10408 1 15 . 1 1 106 106 TYR CB C 106 37.925 37.925 37.884 0.041 19354 10409 1 15 . 1 1 106 106 TYR H H 106 8.492 8.492 8.981 -0.489 19354 10410 1 15 . 1 1 107 107 GLU N N 107 118.362 118.362 120.068 -1.706 19354 10411 1 15 . 1 1 107 107 GLU HA H 107 3.846 3.846 3.565 0.281 19354 10412 1 15 . 1 1 107 107 GLU C C 107 177.421 177.421 178.311 -0.890 19354 10413 1 15 . 1 1 107 107 GLU CA C 107 58.867 58.867 59.266 -0.399 19354 10414 1 15 . 1 1 107 107 GLU CB C 107 28.969 28.969 28.910 0.059 19354 10415 1 15 . 1 1 107 107 GLU H H 107 8.503 8.503 7.974 0.529 19354 10416 1 15 . 1 1 108 108 MET N N 108 116.221 116.221 117.481 -1.260 19354 10417 1 15 . 1 1 108 108 MET HA H 108 3.708 3.708 4.063 -0.355 19354 10418 1 15 . 1 1 108 108 MET C C 108 176.804 176.804 178.884 -2.080 19354 10419 1 15 . 1 1 108 108 MET CA C 108 58.648 58.648 57.781 0.867 19354 10420 1 15 . 1 1 108 108 MET CB C 108 33.058 33.058 31.355 1.703 19354 10421 1 15 . 1 1 108 108 MET H H 108 7.409 7.409 7.941 -0.532 19354 10422 1 15 . 1 1 109 109 CYS N N 109 114.131 114.131 116.121 -1.990 19354 10423 1 15 . 1 1 109 109 CYS HA H 109 3.857 3.857 3.854 0.003 19354 10424 1 15 . 1 1 109 109 CYS C C 109 178.047 178.047 176.020 2.027 19354 10425 1 15 . 1 1 109 109 CYS CA C 109 58.737 58.737 60.426 -1.689 19354 10426 1 15 . 1 1 109 109 CYS CB C 109 35.006 35.006 25.903 9.103 19354 10427 1 15 . 1 1 109 109 CYS H H 109 6.817 6.817 7.638 -0.821 19354 10428 1 15 . 1 1 110 110 ARG N N 110 124.629 124.629 120.309 4.320 19354 10429 1 15 . 1 1 110 110 ARG HA H 110 3.376 3.376 3.981 -0.605 19354 10430 1 15 . 1 1 110 110 ARG C C 110 179.435 179.435 178.481 0.954 19354 10431 1 15 . 1 1 110 110 ARG CA C 110 59.641 59.641 58.961 0.680 19354 10432 1 15 . 1 1 110 110 ARG CB C 110 29.273 29.273 30.030 -0.757 19354 10433 1 15 . 1 1 110 110 ARG H H 110 8.885 8.885 7.490 1.395 19354 10434 1 15 . 1 1 111 111 ILE N N 111 113.379 113.379 116.957 -3.578 19354 10435 1 15 . 1 1 111 111 ILE HA H 111 3.796 3.796 3.752 0.044 19354 10436 1 15 . 1 1 111 111 ILE C C 111 175.624 175.624 177.930 -2.306 19354 10437 1 15 . 1 1 111 111 ILE CA C 111 63.811 63.811 63.779 0.032 19354 10438 1 15 . 1 1 111 111 ILE CB C 111 38.229 38.229 36.563 1.666 19354 10439 1 15 . 1 1 111 111 ILE H H 111 7.422 7.422 7.719 -0.297 19354 10440 1 15 . 1 1 112 112 THR N N 112 109.403 109.403 112.218 -2.815 19354 10441 1 15 . 1 1 112 112 THR HA H 112 3.889 3.889 4.331 -0.442 19354 10442 1 15 . 1 1 112 112 THR C C 112 175.798 175.798 175.379 0.419 19354 10443 1 15 . 1 1 112 112 THR CA C 112 62.856 62.856 61.435 1.421 19354 10444 1 15 . 1 1 112 112 THR CB C 112 70.168 70.168 67.814 2.354 19354 10445 1 15 . 1 1 112 112 THR H H 112 7.574 7.574 7.987 -0.413 19354 10446 1 15 . 1 1 113 113 MET N N 113 119.638 119.638 117.404 2.234 19354 10447 1 15 . 1 1 113 113 MET HA H 113 3.541 3.541 4.698 -1.157 19354 10448 1 15 . 1 1 113 113 MET C C 113 177.174 177.174 175.894 1.280 19354 10449 1 15 . 1 1 113 113 MET CA C 113 60.235 60.235 57.530 2.705 19354 10450 1 15 . 1 1 113 113 MET CB C 113 32.338 32.338 33.708 -1.370 19354 10451 1 15 . 1 1 113 113 MET H H 113 7.152 7.152 7.471 -0.319 19354 10452 1 15 . 1 1 114 114 GLU N N 114 117.224 117.224 117.141 0.083 19354 10453 1 15 . 1 1 114 114 GLU HA H 114 4.114 4.114 4.766 -0.652 19354 10454 1 15 . 1 1 114 114 GLU CA C 114 60.422 60.422 53.601 6.821 19354 10455 1 15 . 1 1 114 114 GLU CB C 114 26.103 26.103 29.632 -3.529 19354 10456 1 15 . 1 1 114 114 GLU H H 114 8.580 8.580 8.373 0.207 19354 10457 1 15 . 1 1 115 115 PRO HA H 115 4.304 4.304 4.625 -0.321 19354 10458 1 15 . 1 1 115 115 PRO CA C 115 65.128 65.128 63.863 1.265 19354 10459 1 15 . 1 1 115 115 PRO CB C 115 31.141 31.141 32.534 -1.393 19354 10460 1 15 . 1 1 116 116 CYS N N 116 111.879 111.879 116.872 -4.993 19354 10461 1 15 . 1 1 116 116 CYS HA H 116 4.679 4.679 4.792 -0.113 19354 10462 1 15 . 1 1 116 116 CYS C C 116 174.808 174.808 176.243 -1.435 19354 10463 1 15 . 1 1 116 116 CYS CA C 116 54.060 54.060 58.502 -4.442 19354 10464 1 15 . 1 1 116 116 CYS CB C 116 42.879 42.879 30.704 12.175 19354 10465 1 15 . 1 1 116 116 CYS H H 116 7.208 7.208 8.094 -0.886 19354 10466 1 15 . 1 1 117 117 ARG N N 117 123.750 123.750 125.187 -1.437 19354 10467 1 15 . 1 1 117 117 ARG HA H 117 3.161 3.161 4.194 -1.033 19354 10468 1 15 . 1 1 117 117 ARG C C 117 178.210 178.210 176.673 1.537 19354 10469 1 15 . 1 1 117 117 ARG CA C 117 59.743 59.743 59.285 0.458 19354 10470 1 15 . 1 1 117 117 ARG CB C 117 29.486 29.486 30.254 -0.768 19354 10471 1 15 . 1 1 117 117 ARG H H 117 7.436 7.436 9.031 -1.595 19354 10472 1 15 . 1 1 118 118 ILE N N 118 116.384 116.384 116.348 0.036 19354 10473 1 15 . 1 1 118 118 ILE HA H 118 4.000 4.000 4.421 -0.421 19354 10474 1 15 . 1 1 118 118 ILE C C 118 176.577 176.577 175.960 0.617 19354 10475 1 15 . 1 1 118 118 ILE CA C 118 63.166 63.166 61.503 1.663 19354 10476 1 15 . 1 1 118 118 ILE CB C 118 37.781 37.781 37.926 -0.145 19354 10477 1 15 . 1 1 118 118 ILE H H 118 8.130 8.130 8.115 0.015 19354 10478 1 15 . 1 1 119 119 LEU N N 119 119.738 119.738 117.320 2.418 19354 10479 1 15 . 1 1 119 119 LEU HA H 119 4.540 4.540 4.506 0.034 19354 10480 1 15 . 1 1 119 119 LEU C C 119 178.346 178.346 176.818 1.528 19354 10481 1 15 . 1 1 119 119 LEU CA C 119 54.697 54.697 53.241 1.456 19354 10482 1 15 . 1 1 119 119 LEU CB C 119 42.872 42.872 41.614 1.258 19354 10483 1 15 . 1 1 119 119 LEU H H 119 7.771 7.771 7.636 0.135 19354 10484 1 15 . 1 1 120 120 TYR N N 120 121.945 121.945 116.442 5.503 19354 10485 1 15 . 1 1 120 120 TYR HA H 120 4.125 4.125 4.161 -0.036 19354 10486 1 15 . 1 1 120 120 TYR C C 120 176.169 176.169 175.836 0.333 19354 10487 1 15 . 1 1 120 120 TYR CA C 120 59.682 59.682 59.896 -0.214 19354 10488 1 15 . 1 1 120 120 TYR CB C 120 37.180 37.180 38.296 -1.116 19354 10489 1 15 . 1 1 120 120 TYR H H 120 7.886 7.886 7.680 0.206 19354 10490 1 15 . 1 1 121 121 ASN N N 121 115.992 115.992 113.395 2.597 19354 10491 1 15 . 1 1 121 121 ASN HA H 121 4.885 4.885 4.808 0.077 19354 10492 1 15 . 1 1 121 121 ASN C C 121 175.612 175.612 173.938 1.674 19354 10493 1 15 . 1 1 121 121 ASN CA C 121 52.670 52.670 52.433 0.237 19354 10494 1 15 . 1 1 121 121 ASN CB C 121 38.058 38.058 40.388 -2.330 19354 10495 1 15 . 1 1 121 121 ASN H H 121 8.228 8.228 7.293 0.935 19354 10496 1 15 . 1 1 122 122 THR N N 122 109.094 109.094 113.709 -4.615 19354 10497 1 15 . 1 1 122 122 THR HA H 122 4.682 4.682 4.143 0.539 19354 10498 1 15 . 1 1 122 122 THR C C 122 175.844 175.844 173.339 2.505 19354 10499 1 15 . 1 1 122 122 THR CA C 122 61.815 61.815 63.115 -1.300 19354 10500 1 15 . 1 1 122 122 THR CB C 122 72.484 72.484 68.636 3.848 19354 10501 1 15 . 1 1 122 122 THR H H 122 7.649 7.649 7.770 -0.121 19354 10502 1 15 . 1 1 123 123 THR N N 123 112.067 112.067 115.834 -3.767 19354 10503 1 15 . 1 1 123 123 THR HA H 123 4.026 4.026 4.412 -0.386 19354 10504 1 15 . 1 1 123 123 THR C C 123 175.033 175.033 173.164 1.869 19354 10505 1 15 . 1 1 123 123 THR CA C 123 63.174 63.174 62.140 1.034 19354 10506 1 15 . 1 1 123 123 THR CB C 123 68.529 68.529 69.257 -0.728 19354 10507 1 15 . 1 1 123 123 THR H H 123 8.261 8.261 8.101 0.160 19354 10508 1 15 . 1 1 124 124 PHE N N 124 118.139 118.139 119.861 -1.722 19354 10509 1 15 . 1 1 124 124 PHE HA H 124 4.153 4.153 4.882 -0.729 19354 10510 1 15 . 1 1 124 124 PHE C C 124 175.398 175.398 174.854 0.544 19354 10511 1 15 . 1 1 124 124 PHE CA C 124 59.890 59.890 58.209 1.681 19354 10512 1 15 . 1 1 124 124 PHE CB C 124 39.668 39.668 40.197 -0.529 19354 10513 1 15 . 1 1 124 124 PHE H H 124 7.764 7.764 8.017 -0.253 19354 10514 1 15 . 1 1 125 125 PHE N N 125 118.447 118.447 118.945 -0.498 19354 10515 1 15 . 1 1 125 125 PHE HA H 125 4.662 4.662 5.032 -0.370 19354 10516 1 15 . 1 1 125 125 PHE CA C 125 56.245 56.245 55.196 1.049 19354 10517 1 15 . 1 1 125 125 PHE CB C 125 38.810 38.810 39.525 -0.715 19354 10518 1 15 . 1 1 125 125 PHE H H 125 7.670 7.670 8.068 -0.398 19354 10519 1 15 . 1 1 126 126 PRO HA H 126 4.398 4.398 4.309 0.089 19354 10520 1 15 . 1 1 126 126 PRO CA C 126 62.432 62.432 63.949 -1.517 19354 10521 1 15 . 1 1 126 126 PRO CB C 126 32.670 32.670 31.766 0.904 19354 10522 1 15 . 1 1 127 127 LYS N N 127 118.753 118.753 119.211 -0.458 19354 10523 1 15 . 1 1 127 127 LYS HA H 127 3.580 3.580 4.132 -0.552 19354 10524 1 15 . 1 1 127 127 LYS C C 127 177.977 177.977 178.105 -0.128 19354 10525 1 15 . 1 1 127 127 LYS CA C 127 60.279 60.279 58.382 1.897 19354 10526 1 15 . 1 1 127 127 LYS CB C 127 31.599 31.599 31.969 -0.370 19354 10527 1 15 . 1 1 127 127 LYS H H 127 8.565 8.565 8.347 0.218 19354 10528 1 15 . 1 1 128 128 PHE N N 128 110.638 110.638 114.282 -3.644 19354 10529 1 15 . 1 1 128 128 PHE HA H 128 4.481 4.481 4.693 -0.212 19354 10530 1 15 . 1 1 128 128 PHE C C 128 173.946 173.946 175.158 -1.212 19354 10531 1 15 . 1 1 128 128 PHE CA C 128 57.841 57.841 57.490 0.351 19354 10532 1 15 . 1 1 128 128 PHE CB C 128 36.807 36.807 39.783 -2.976 19354 10533 1 15 . 1 1 128 128 PHE H H 128 6.795 6.795 7.779 -0.984 19354 10534 1 15 . 1 1 129 129 LEU N N 129 119.653 119.653 120.885 -1.232 19354 10535 1 15 . 1 1 129 129 LEU HA H 129 4.710 4.710 4.222 0.488 19354 10536 1 15 . 1 1 129 129 LEU C C 129 175.398 175.398 176.126 -0.728 19354 10537 1 15 . 1 1 129 129 LEU CA C 129 53.169 53.169 53.037 0.132 19354 10538 1 15 . 1 1 129 129 LEU CB C 129 44.901 44.901 41.654 3.248 19354 10539 1 15 . 1 1 129 129 LEU H H 129 7.204 7.204 6.771 0.433 19354 10540 1 15 . 1 1 130 130 ARG N N 130 116.807 116.807 121.488 -4.681 19354 10541 1 15 . 1 1 130 130 ARG HA H 130 4.328 4.328 4.080 0.248 19354 10542 1 15 . 1 1 130 130 ARG C C 130 177.099 177.099 175.016 2.083 19354 10543 1 15 . 1 1 130 130 ARG CA C 130 55.250 55.250 56.301 -1.051 19354 10544 1 15 . 1 1 130 130 ARG CB C 130 30.355 30.355 27.422 2.933 19354 10545 1 15 . 1 1 130 130 ARG H H 130 7.090 7.090 7.834 -0.744 19354 10546 1 15 . 1 1 131 131 CYS N N 131 117.271 117.271 123.203 -5.932 19354 10547 1 15 . 1 1 131 131 CYS HA H 131 4.588 4.588 4.645 -0.057 19354 10548 1 15 . 1 1 131 131 CYS C C 131 175.022 175.022 173.210 1.812 19354 10549 1 15 . 1 1 131 131 CYS CA C 131 54.449 54.449 57.922 -3.473 19354 10550 1 15 . 1 1 131 131 CYS CB C 131 34.958 34.958 30.268 4.690 19354 10551 1 15 . 1 1 131 131 CYS H H 131 8.210 8.210 8.159 0.051 19354 10552 1 15 . 1 1 132 132 ASN N N 132 120.232 120.232 126.460 -6.228 19354 10553 1 15 . 1 1 132 132 ASN HA H 132 4.811 4.811 4.704 0.107 19354 10554 1 15 . 1 1 132 132 ASN C C 132 175.080 175.080 174.429 0.651 19354 10555 1 15 . 1 1 132 132 ASN CA C 132 53.188 53.188 53.525 -0.337 19354 10556 1 15 . 1 1 132 132 ASN CB C 132 40.003 40.003 38.834 1.169 19354 10557 1 15 . 1 1 132 132 ASN H H 132 7.801 7.801 8.427 -0.626 19354 10558 1 15 . 1 1 133 133 GLU N N 133 123.435 123.435 124.896 -1.461 19354 10559 1 15 . 1 1 133 133 GLU HA H 133 4.225 4.225 4.246 -0.021 19354 10560 1 15 . 1 1 133 133 GLU C C 133 176.447 176.447 177.483 -1.036 19354 10561 1 15 . 1 1 133 133 GLU CA C 133 57.928 57.928 57.866 0.062 19354 10562 1 15 . 1 1 133 133 GLU CB C 133 29.822 29.822 30.555 -0.733 19354 10563 1 15 . 1 1 133 133 GLU H H 133 9.086 9.086 8.442 0.644 19354 10564 1 15 . 1 1 134 134 THR N N 134 113.403 113.403 114.108 -0.705 19354 10565 1 15 . 1 1 134 134 THR HA H 134 3.964 3.964 4.092 -0.128 19354 10566 1 15 . 1 1 134 134 THR C C 134 174.853 174.853 175.522 -0.669 19354 10567 1 15 . 1 1 134 134 THR CA C 134 63.694 63.694 63.973 -0.279 19354 10568 1 15 . 1 1 134 134 THR CB C 134 68.841 68.841 68.621 0.220 19354 10569 1 15 . 1 1 134 134 THR H H 134 8.067 8.067 8.236 -0.169 19354 10570 1 15 . 1 1 135 135 LEU N N 135 121.377 121.377 120.796 0.581 19354 10571 1 15 . 1 1 135 135 LEU HA H 135 3.964 3.964 4.374 -0.410 19354 10572 1 15 . 1 1 135 135 LEU C C 135 176.215 176.215 176.455 -0.240 19354 10573 1 15 . 1 1 135 135 LEU CA C 135 55.656 55.656 55.631 0.025 19354 10574 1 15 . 1 1 135 135 LEU CB C 135 42.291 42.291 42.452 -0.161 19354 10575 1 15 . 1 1 135 135 LEU H H 135 7.448 7.448 7.754 -0.306 19354 10576 1 15 . 1 1 136 136 PHE N N 136 117.704 117.704 119.827 -2.123 19354 10577 1 15 . 1 1 136 136 PHE HA H 136 5.202 5.202 4.856 0.346 19354 10578 1 15 . 1 1 136 136 PHE C C 136 179.412 179.412 174.108 5.304 19354 10579 1 15 . 1 1 136 136 PHE CA C 136 53.495 53.495 54.662 -1.167 19354 10580 1 15 . 1 1 136 136 PHE CB C 136 39.248 39.248 38.145 1.103 19354 10581 1 15 . 1 1 136 136 PHE H H 136 7.542 7.542 8.526 -0.984 19354 10582 1 15 . 1 1 137 137 PRO HA H 137 4.528 4.528 4.641 -0.114 19354 10583 1 15 . 1 1 137 137 PRO CA C 137 62.949 62.949 63.266 -0.317 19354 10584 1 15 . 1 1 137 137 PRO CB C 137 32.242 32.242 32.570 -0.328 19354 10585 1 15 . 1 1 138 138 THR N N 138 114.025 114.025 109.150 4.875 19354 10586 1 15 . 1 1 138 138 THR HA H 138 4.324 4.324 4.566 -0.242 19354 10587 1 15 . 1 1 138 138 THR C C 138 174.175 174.175 173.961 0.214 19354 10588 1 15 . 1 1 138 138 THR CA C 138 61.863 61.863 63.016 -1.153 19354 10589 1 15 . 1 1 138 138 THR CB C 138 69.742 69.742 70.196 -0.454 19354 10590 1 15 . 1 1 138 138 THR H H 138 8.452 8.452 8.713 -0.261 19354 10591 1 16 . 1 1 13 13 GLY N N 13 110.400 110.400 109.562 0.838 19354 10592 1 16 . 1 1 13 13 GLY C C 13 173.560 173.560 172.485 1.075 19354 10593 1 16 . 1 1 13 13 GLY CA C 13 45.111 45.111 44.911 0.200 19354 10594 1 16 . 1 1 13 13 GLY H H 13 8.335 8.335 8.278 0.057 19354 10595 1 16 . 1 1 14 14 LEU N N 14 121.222 121.222 121.338 -0.116 19354 10596 1 16 . 1 1 14 14 LEU HA H 14 4.378 4.378 4.647 -0.269 19354 10597 1 16 . 1 1 14 14 LEU C C 14 177.119 177.119 175.066 2.053 19354 10598 1 16 . 1 1 14 14 LEU CA C 14 54.838 54.838 54.644 0.194 19354 10599 1 16 . 1 1 14 14 LEU CB C 14 42.429 42.429 45.079 -2.650 19354 10600 1 16 . 1 1 14 14 LEU H H 14 7.915 7.915 8.109 -0.194 19354 10601 1 16 . 1 1 15 15 VAL N N 15 123.222 123.222 121.927 1.295 19354 10602 1 16 . 1 1 15 15 VAL HA H 15 4.335 4.335 4.545 -0.210 19354 10603 1 16 . 1 1 15 15 VAL C C 15 175.602 175.602 174.258 1.344 19354 10604 1 16 . 1 1 15 15 VAL CA C 15 59.375 59.375 59.672 -0.297 19354 10605 1 16 . 1 1 15 15 VAL CB C 15 33.197 33.197 35.012 -1.815 19354 10606 1 16 . 1 1 15 15 VAL H H 15 8.297 8.297 8.234 0.063 19354 10607 1 16 . 1 1 16 16 PRO HA H 16 4.379 4.379 4.289 0.090 19354 10608 1 16 . 1 1 16 16 PRO CA C 16 62.925 62.925 64.012 -1.087 19354 10609 1 16 . 1 1 16 16 PRO CB C 16 32.043 32.043 32.200 -0.158 19354 10610 1 16 . 1 1 17 17 ARG N N 17 122.742 122.742 120.510 2.232 19354 10611 1 16 . 1 1 17 17 ARG HA H 17 4.219 4.219 4.081 0.138 19354 10612 1 16 . 1 1 17 17 ARG C C 17 176.586 176.586 175.449 1.137 19354 10613 1 16 . 1 1 17 17 ARG CA C 17 55.479 55.479 56.700 -1.221 19354 10614 1 16 . 1 1 17 17 ARG CB C 17 30.889 30.889 30.362 0.527 19354 10615 1 16 . 1 1 17 17 ARG H H 17 8.469 8.469 7.878 0.591 19354 10616 1 16 . 1 1 18 18 GLY N N 18 111.993 111.993 112.582 -0.589 19354 10617 1 16 . 1 1 18 18 GLY C C 18 174.453 174.453 174.732 -0.279 19354 10618 1 16 . 1 1 18 18 GLY CA C 18 45.670 45.670 44.377 1.293 19354 10619 1 16 . 1 1 18 18 GLY H H 18 8.538 8.538 8.194 0.344 19354 10620 1 16 . 1 1 19 19 SER HA H 19 4.318 4.318 4.220 0.098 19354 10621 1 16 . 1 1 19 19 SER CA C 19 58.480 58.480 59.276 -0.796 19354 10622 1 16 . 1 1 19 19 SER CB C 19 63.535 63.535 63.584 -0.049 19354 10623 1 16 . 1 1 20 20 HIS N N 20 120.039 120.039 118.447 1.592 19354 10624 1 16 . 1 1 20 20 HIS HA H 20 4.678 4.678 4.770 -0.092 19354 10625 1 16 . 1 1 20 20 HIS C C 20 174.263 174.263 175.018 -0.755 19354 10626 1 16 . 1 1 20 20 HIS CA C 20 55.889 55.889 54.460 1.429 19354 10627 1 16 . 1 1 20 20 HIS CB C 20 32.027 32.027 28.843 3.184 19354 10628 1 16 . 1 1 20 20 HIS H H 20 8.344 8.344 7.635 0.709 19354 10629 1 16 . 1 1 21 21 MET N N 21 120.453 120.453 117.475 2.978 19354 10630 1 16 . 1 1 21 21 MET HA H 21 4.676 4.676 4.016 0.660 19354 10631 1 16 . 1 1 21 21 MET C C 21 174.808 174.808 173.908 0.900 19354 10632 1 16 . 1 1 21 21 MET CA C 21 54.232 54.232 56.780 -2.548 19354 10633 1 16 . 1 1 21 21 MET CB C 21 32.377 32.377 32.255 0.122 19354 10634 1 16 . 1 1 21 21 MET H H 21 8.587 8.587 7.662 0.925 19354 10635 1 16 . 1 1 22 22 VAL N N 22 112.794 112.794 120.265 -7.471 19354 10636 1 16 . 1 1 22 22 VAL HA H 22 5.297 5.297 4.945 0.352 19354 10637 1 16 . 1 1 22 22 VAL C C 22 175.218 175.218 173.885 1.333 19354 10638 1 16 . 1 1 22 22 VAL CA C 22 57.885 57.885 59.994 -2.109 19354 10639 1 16 . 1 1 22 22 VAL CB C 22 35.895 35.895 35.920 -0.025 19354 10640 1 16 . 1 1 22 22 VAL H H 22 7.805 7.805 8.095 -0.290 19354 10641 1 16 . 1 1 23 23 ARG N N 23 117.854 117.854 122.081 -4.227 19354 10642 1 16 . 1 1 23 23 ARG HA H 23 4.578 4.578 4.730 -0.152 19354 10643 1 16 . 1 1 23 23 ARG C C 23 174.128 174.128 174.354 -0.226 19354 10644 1 16 . 1 1 23 23 ARG CA C 23 54.192 54.192 54.596 -0.404 19354 10645 1 16 . 1 1 23 23 ARG CB C 23 34.757 34.757 33.488 1.269 19354 10646 1 16 . 1 1 23 23 ARG H H 23 8.430 8.430 7.954 0.476 19354 10647 1 16 . 1 1 24 24 ARG N N 24 124.928 124.928 123.643 1.285 19354 10648 1 16 . 1 1 24 24 ARG HA H 24 4.619 4.619 4.575 0.044 19354 10649 1 16 . 1 1 24 24 ARG C C 24 176.265 176.265 175.771 0.494 19354 10650 1 16 . 1 1 24 24 ARG CA C 24 57.824 57.824 55.788 2.036 19354 10651 1 16 . 1 1 24 24 ARG CB C 24 29.913 29.913 28.041 1.871 19354 10652 1 16 . 1 1 24 24 ARG H H 24 8.569 8.569 8.692 -0.123 19354 10653 1 16 . 1 1 25 25 ALA N N 25 127.390 127.390 125.147 2.243 19354 10654 1 16 . 1 1 25 25 ALA HA H 25 4.379 4.379 4.383 -0.004 19354 10655 1 16 . 1 1 25 25 ALA C C 25 174.173 174.173 176.588 -2.415 19354 10656 1 16 . 1 1 25 25 ALA CA C 25 51.382 51.382 51.238 0.144 19354 10657 1 16 . 1 1 25 25 ALA CB C 25 23.050 23.050 20.330 2.720 19354 10658 1 16 . 1 1 25 25 ALA H H 25 8.082 8.082 8.025 0.057 19354 10659 1 16 . 1 1 26 26 ARG N N 26 116.820 116.820 118.509 -1.689 19354 10660 1 16 . 1 1 26 26 ARG HA H 26 4.692 4.692 4.414 0.278 19354 10661 1 16 . 1 1 26 26 ARG C C 26 177.847 177.847 175.040 2.807 19354 10662 1 16 . 1 1 26 26 ARG CA C 26 55.271 55.271 55.672 -0.401 19354 10663 1 16 . 1 1 26 26 ARG CB C 26 31.215 31.215 31.529 -0.314 19354 10664 1 16 . 1 1 26 26 ARG H H 26 8.133 8.133 8.426 -0.293 19354 10665 1 16 . 1 1 27 27 CYS N N 27 126.567 126.567 118.506 8.061 19354 10666 1 16 . 1 1 27 27 CYS HA H 27 5.732 5.732 5.073 0.659 19354 10667 1 16 . 1 1 27 27 CYS C C 27 175.288 175.288 172.760 2.528 19354 10668 1 16 . 1 1 27 27 CYS CA C 27 51.785 51.785 58.305 -6.520 19354 10669 1 16 . 1 1 27 27 CYS CB C 27 38.246 38.246 29.480 8.766 19354 10670 1 16 . 1 1 27 27 CYS H H 27 9.709 9.709 8.221 1.488 19354 10671 1 16 . 1 1 28 28 TYR N N 28 120.309 120.309 123.751 -3.442 19354 10672 1 16 . 1 1 28 28 TYR HA H 28 5.079 5.079 5.155 -0.076 19354 10673 1 16 . 1 1 28 28 TYR CA C 28 54.951 54.951 54.095 0.856 19354 10674 1 16 . 1 1 28 28 TYR CB C 28 39.807 39.807 39.119 0.688 19354 10675 1 16 . 1 1 28 28 TYR H H 28 8.870 8.870 8.821 0.049 19354 10676 1 16 . 1 1 29 29 PRO HA H 29 4.836 4.836 4.793 0.043 19354 10677 1 16 . 1 1 29 29 PRO CA C 29 61.773 61.773 62.777 -1.004 19354 10678 1 16 . 1 1 29 29 PRO CB C 29 31.173 31.173 32.055 -0.882 19354 10679 1 16 . 1 1 30 30 THR N N 30 115.177 115.177 120.744 -5.567 19354 10680 1 16 . 1 1 30 30 THR HA H 30 4.253 4.253 4.290 -0.037 19354 10681 1 16 . 1 1 30 30 THR C C 30 173.688 173.688 175.213 -1.525 19354 10682 1 16 . 1 1 30 30 THR CA C 30 61.324 61.324 64.539 -3.215 19354 10683 1 16 . 1 1 30 30 THR CB C 30 70.191 70.191 69.394 0.797 19354 10684 1 16 . 1 1 30 30 THR H H 30 7.978 7.978 8.776 -0.798 19354 10685 1 16 . 1 1 31 31 SER N N 31 116.822 116.822 114.086 2.736 19354 10686 1 16 . 1 1 31 31 SER HA H 31 4.702 4.702 4.665 0.037 19354 10687 1 16 . 1 1 31 31 SER C C 31 175.079 175.079 174.621 0.458 19354 10688 1 16 . 1 1 31 31 SER CA C 31 57.057 57.057 56.692 0.365 19354 10689 1 16 . 1 1 31 31 SER CB C 31 66.020 66.020 65.023 0.997 19354 10690 1 16 . 1 1 31 31 SER H H 31 8.451 8.451 8.078 0.373 19354 10691 1 16 . 1 1 32 32 ASN N N 32 118.803 118.803 119.940 -1.137 19354 10692 1 16 . 1 1 32 32 ASN HA H 32 4.385 4.385 4.499 -0.114 19354 10693 1 16 . 1 1 32 32 ASN C C 32 175.705 175.705 175.807 -0.102 19354 10694 1 16 . 1 1 32 32 ASN CA C 32 55.564 55.564 55.736 -0.172 19354 10695 1 16 . 1 1 32 32 ASN CB C 32 37.637 37.637 38.490 -0.853 19354 10696 1 16 . 1 1 32 32 ASN H H 32 8.802 8.802 8.787 0.015 19354 10697 1 16 . 1 1 33 33 ALA N N 33 118.571 118.571 120.300 -1.729 19354 10698 1 16 . 1 1 33 33 ALA HA H 33 4.262 4.262 4.355 -0.093 19354 10699 1 16 . 1 1 33 33 ALA C C 33 179.229 179.229 176.784 2.445 19354 10700 1 16 . 1 1 33 33 ALA CA C 33 53.087 53.087 52.953 0.134 19354 10701 1 16 . 1 1 33 33 ALA CB C 33 19.563 19.563 19.836 -0.273 19354 10702 1 16 . 1 1 33 33 ALA H H 33 8.004 8.004 8.155 -0.151 19354 10703 1 16 . 1 1 34 34 THR N N 34 106.312 106.312 110.881 -4.569 19354 10704 1 16 . 1 1 34 34 THR HA H 34 4.581 4.581 4.281 0.300 19354 10705 1 16 . 1 1 34 34 THR C C 34 175.334 175.334 172.723 2.611 19354 10706 1 16 . 1 1 34 34 THR CA C 34 60.586 60.586 61.752 -1.165 19354 10707 1 16 . 1 1 34 34 THR CB C 34 70.195 70.195 69.584 0.611 19354 10708 1 16 . 1 1 34 34 THR H H 34 7.551 7.551 7.570 -0.019 19354 10709 1 16 . 1 1 35 35 ASN N N 35 122.599 122.599 124.755 -2.156 19354 10710 1 16 . 1 1 35 35 ASN HA H 35 4.528 4.528 4.539 -0.011 19354 10711 1 16 . 1 1 35 35 ASN C C 35 174.221 174.221 174.389 -0.168 19354 10712 1 16 . 1 1 35 35 ASN CA C 35 52.790 52.790 54.300 -1.510 19354 10713 1 16 . 1 1 35 35 ASN CB C 35 36.768 36.768 39.440 -2.672 19354 10714 1 16 . 1 1 35 35 ASN H H 35 7.897 7.897 8.563 -0.666 19354 10715 1 16 . 1 1 36 36 THR N N 36 107.151 107.151 116.259 -9.108 19354 10716 1 16 . 1 1 36 36 THR HA H 36 4.979 4.979 4.459 0.520 19354 10717 1 16 . 1 1 36 36 THR C C 36 173.651 173.651 172.390 1.261 19354 10718 1 16 . 1 1 36 36 THR CA C 36 59.011 59.011 61.658 -2.647 19354 10719 1 16 . 1 1 36 36 THR CB C 36 72.745 72.745 71.595 1.150 19354 10720 1 16 . 1 1 36 36 THR H H 36 7.490 7.490 8.453 -0.963 19354 10721 1 16 . 1 1 37 37 CYS N N 37 118.809 118.809 124.058 -5.249 19354 10722 1 16 . 1 1 37 37 CYS HA H 37 4.095 4.095 4.811 -0.716 19354 10723 1 16 . 1 1 37 37 CYS C C 37 173.688 173.688 173.564 0.124 19354 10724 1 16 . 1 1 37 37 CYS CA C 37 55.634 55.634 58.652 -3.018 19354 10725 1 16 . 1 1 37 37 CYS CB C 37 45.854 45.854 28.845 17.009 19354 10726 1 16 . 1 1 37 37 CYS H H 37 8.632 8.632 8.548 0.084 19354 10727 1 16 . 1 1 38 38 PHE N N 38 128.190 128.190 124.309 3.881 19354 10728 1 16 . 1 1 38 38 PHE HA H 38 4.275 4.275 4.216 0.059 19354 10729 1 16 . 1 1 38 38 PHE C C 38 176.261 176.261 176.806 -0.545 19354 10730 1 16 . 1 1 38 38 PHE CA C 38 59.067 59.067 57.871 1.196 19354 10731 1 16 . 1 1 38 38 PHE CB C 38 36.576 36.576 37.476 -0.900 19354 10732 1 16 . 1 1 38 38 PHE H H 38 9.018 9.018 9.283 -0.265 19354 10733 1 16 . 1 1 39 39 GLY N N 39 104.504 104.504 107.234 -2.730 19354 10734 1 16 . 1 1 39 39 GLY C C 39 174.173 174.173 174.568 -0.395 19354 10735 1 16 . 1 1 39 39 GLY CA C 39 45.112 45.112 45.415 -0.303 19354 10736 1 16 . 1 1 39 39 GLY H H 39 8.566 8.566 8.525 0.041 19354 10737 1 16 . 1 1 40 40 SER N N 40 116.201 116.201 120.988 -4.787 19354 10738 1 16 . 1 1 40 40 SER HA H 40 4.529 4.529 4.346 0.183 19354 10739 1 16 . 1 1 40 40 SER C C 40 173.873 173.873 174.164 -0.291 19354 10740 1 16 . 1 1 40 40 SER CA C 40 57.436 57.436 59.021 -1.585 19354 10741 1 16 . 1 1 40 40 SER CB C 40 63.718 63.718 63.708 0.010 19354 10742 1 16 . 1 1 40 40 SER H H 40 7.533 7.533 8.086 -0.553 19354 10743 1 16 . 1 1 41 41 LYS N N 41 127.456 127.456 127.192 0.264 19354 10744 1 16 . 1 1 41 41 LYS HA H 41 4.056 4.056 4.109 -0.053 19354 10745 1 16 . 1 1 41 41 LYS C C 41 176.632 176.632 176.253 0.379 19354 10746 1 16 . 1 1 41 41 LYS CA C 41 56.409 56.409 56.572 -0.163 19354 10747 1 16 . 1 1 41 41 LYS CB C 41 32.169 32.169 32.855 -0.686 19354 10748 1 16 . 1 1 41 41 LYS H H 41 8.768 8.768 8.393 0.375 19354 10749 1 16 . 1 1 42 42 LEU N N 42 128.016 128.016 124.244 3.772 19354 10750 1 16 . 1 1 42 42 LEU HA H 42 4.120 4.120 4.230 -0.110 19354 10751 1 16 . 1 1 42 42 LEU CA C 42 52.010 52.010 51.338 0.672 19354 10752 1 16 . 1 1 42 42 LEU CB C 42 40.680 40.680 40.280 0.400 19354 10753 1 16 . 1 1 42 42 LEU H H 42 8.304 8.304 8.134 0.170 19354 10754 1 16 . 1 1 43 43 PRO HA H 43 4.453 4.453 4.196 0.257 19354 10755 1 16 . 1 1 43 43 PRO CA C 43 62.807 62.807 63.826 -1.019 19354 10756 1 16 . 1 1 43 43 PRO CB C 43 29.625 29.625 31.828 -2.203 19354 10757 1 16 . 1 1 44 44 TYR N N 44 116.871 116.871 114.141 2.730 19354 10758 1 16 . 1 1 44 44 TYR HA H 44 4.689 4.689 4.829 -0.140 19354 10759 1 16 . 1 1 44 44 TYR C C 44 175.239 175.239 175.134 0.105 19354 10760 1 16 . 1 1 44 44 TYR CA C 44 53.718 53.718 54.705 -0.987 19354 10761 1 16 . 1 1 44 44 TYR CB C 44 38.637 38.637 39.714 -1.077 19354 10762 1 16 . 1 1 44 44 TYR H H 44 6.311 6.311 6.463 -0.152 19354 10763 1 16 . 1 1 45 45 GLU N N 45 118.221 118.221 119.540 -1.319 19354 10764 1 16 . 1 1 45 45 GLU HA H 45 4.138 4.138 4.609 -0.471 19354 10765 1 16 . 1 1 45 45 GLU C C 45 176.282 176.282 174.993 1.289 19354 10766 1 16 . 1 1 45 45 GLU CA C 45 57.502 57.502 56.097 1.405 19354 10767 1 16 . 1 1 45 45 GLU CB C 45 31.105 31.105 30.574 0.531 19354 10768 1 16 . 1 1 45 45 GLU H H 45 8.591 8.591 8.880 -0.289 19354 10769 1 16 . 1 1 46 46 LEU N N 46 119.826 119.826 119.396 0.430 19354 10770 1 16 . 1 1 46 46 LEU HA H 46 4.974 4.974 5.204 -0.230 19354 10771 1 16 . 1 1 46 46 LEU C C 46 175.420 175.420 176.138 -0.718 19354 10772 1 16 . 1 1 46 46 LEU CA C 46 53.202 53.202 53.553 -0.351 19354 10773 1 16 . 1 1 46 46 LEU CB C 46 43.587 43.587 45.174 -1.587 19354 10774 1 16 . 1 1 46 46 LEU H H 46 8.176 8.176 7.699 0.477 19354 10775 1 16 . 1 1 47 47 SER N N 47 111.561 111.561 113.354 -1.793 19354 10776 1 16 . 1 1 47 47 SER HA H 47 5.020 5.020 4.558 0.462 19354 10777 1 16 . 1 1 47 47 SER C C 47 173.833 173.833 172.070 1.763 19354 10778 1 16 . 1 1 47 47 SER CA C 47 53.006 53.006 56.895 -3.889 19354 10779 1 16 . 1 1 47 47 SER CB C 47 64.691 64.691 65.030 -0.339 19354 10780 1 16 . 1 1 47 47 SER H H 47 7.924 7.924 8.404 -0.480 19354 10781 1 16 . 1 1 48 48 SER N N 48 111.459 111.459 120.302 -8.843 19354 10782 1 16 . 1 1 48 48 SER HA H 48 4.841 4.841 4.772 0.069 19354 10783 1 16 . 1 1 48 48 SER C C 48 175.602 175.602 174.767 0.835 19354 10784 1 16 . 1 1 48 48 SER CA C 48 57.388 57.388 56.950 0.438 19354 10785 1 16 . 1 1 48 48 SER CB C 48 66.333 66.333 63.323 3.010 19354 10786 1 16 . 1 1 48 48 SER H H 48 8.628 8.628 8.687 -0.059 19354 10787 1 16 . 1 1 49 49 LEU N N 49 128.995 128.995 130.212 -1.217 19354 10788 1 16 . 1 1 49 49 LEU HA H 49 4.383 4.383 4.349 0.034 19354 10789 1 16 . 1 1 49 49 LEU C C 49 179.571 179.571 178.227 1.344 19354 10790 1 16 . 1 1 49 49 LEU CA C 49 56.032 56.032 57.510 -1.478 19354 10791 1 16 . 1 1 49 49 LEU CB C 49 41.904 41.904 41.627 0.278 19354 10792 1 16 . 1 1 49 49 LEU H H 49 9.519 9.519 9.345 0.174 19354 10793 1 16 . 1 1 50 50 ASP N N 50 115.013 115.013 119.308 -4.295 19354 10794 1 16 . 1 1 50 50 ASP HA H 50 4.168 4.168 4.364 -0.196 19354 10795 1 16 . 1 1 50 50 ASP C C 50 176.486 176.486 178.831 -2.345 19354 10796 1 16 . 1 1 50 50 ASP CA C 50 58.352 58.352 56.842 1.510 19354 10797 1 16 . 1 1 50 50 ASP CB C 50 41.259 41.259 40.612 0.647 19354 10798 1 16 . 1 1 50 50 ASP H H 50 8.191 8.191 8.156 0.035 19354 10799 1 16 . 1 1 51 51 LEU N N 51 118.298 118.298 118.599 -0.301 19354 10800 1 16 . 1 1 51 51 LEU HA H 51 4.329 4.329 4.095 0.234 19354 10801 1 16 . 1 1 51 51 LEU C C 51 175.556 175.556 177.004 -1.448 19354 10802 1 16 . 1 1 51 51 LEU CA C 51 54.483 54.483 56.637 -2.154 19354 10803 1 16 . 1 1 51 51 LEU CB C 51 39.219 39.219 42.674 -3.455 19354 10804 1 16 . 1 1 51 51 LEU H H 51 8.732 8.732 7.706 1.026 19354 10805 1 16 . 1 1 52 52 THR N N 52 106.427 106.427 109.593 -3.166 19354 10806 1 16 . 1 1 52 52 THR HA H 52 2.784 2.784 4.455 -1.671 19354 10807 1 16 . 1 1 52 52 THR C C 52 172.812 172.812 173.430 -0.618 19354 10808 1 16 . 1 1 52 52 THR CA C 52 58.759 58.759 60.469 -1.710 19354 10809 1 16 . 1 1 52 52 THR CB C 52 71.985 71.985 71.062 0.923 19354 10810 1 16 . 1 1 52 52 THR H H 52 7.574 7.574 7.503 0.071 19354 10811 1 16 . 1 1 53 53 ASP HA H 53 4.398 4.398 4.667 -0.269 19354 10812 1 16 . 1 1 53 53 ASP CA C 53 52.757 52.757 52.661 0.096 19354 10813 1 16 . 1 1 53 53 ASP CB C 53 40.737 40.737 39.340 1.397 19354 10814 1 16 . 1 1 54 54 PHE N N 54 117.929 117.929 117.123 0.806 19354 10815 1 16 . 1 1 54 54 PHE HA H 54 4.498 4.498 4.635 -0.137 19354 10816 1 16 . 1 1 54 54 PHE C C 54 176.169 176.169 175.092 1.077 19354 10817 1 16 . 1 1 54 54 PHE CA C 54 57.477 57.477 56.416 1.061 19354 10818 1 16 . 1 1 54 54 PHE CB C 54 39.270 39.270 41.145 -1.875 19354 10819 1 16 . 1 1 54 54 PHE H H 54 7.575 7.575 7.202 0.373 19354 10820 1 16 . 1 1 55 55 HIS N N 55 115.333 115.333 116.885 -1.552 19354 10821 1 16 . 1 1 55 55 HIS HA H 55 4.585 4.585 4.850 -0.265 19354 10822 1 16 . 1 1 55 55 HIS C C 55 175.080 175.080 174.174 0.906 19354 10823 1 16 . 1 1 55 55 HIS CA C 55 56.439 56.439 55.719 0.720 19354 10824 1 16 . 1 1 55 55 HIS CB C 55 31.104 31.104 31.146 -0.042 19354 10825 1 16 . 1 1 55 55 HIS H H 55 9.230 9.230 8.754 0.476 19354 10826 1 16 . 1 1 56 56 THR N N 56 106.891 106.891 111.691 -4.800 19354 10827 1 16 . 1 1 56 56 THR HA H 56 4.528 4.528 4.289 0.239 19354 10828 1 16 . 1 1 56 56 THR C C 56 173.696 173.696 174.147 -0.451 19354 10829 1 16 . 1 1 56 56 THR CA C 56 58.725 58.725 60.386 -1.661 19354 10830 1 16 . 1 1 56 56 THR CB C 56 72.851 72.851 70.030 2.821 19354 10831 1 16 . 1 1 56 56 THR H H 56 7.343 7.343 7.417 -0.074 19354 10832 1 16 . 1 1 57 57 GLU N N 57 121.798 121.798 122.423 -0.625 19354 10833 1 16 . 1 1 57 57 GLU HA H 57 3.611 3.611 4.021 -0.410 19354 10834 1 16 . 1 1 57 57 GLU C C 57 178.417 178.417 178.131 0.286 19354 10835 1 16 . 1 1 57 57 GLU CA C 57 59.380 59.380 59.814 -0.434 19354 10836 1 16 . 1 1 57 57 GLU CB C 57 29.873 29.873 29.736 0.137 19354 10837 1 16 . 1 1 57 57 GLU H H 57 8.841 8.841 8.803 0.038 19354 10838 1 16 . 1 1 58 58 LYS N N 58 121.091 121.091 118.432 2.659 19354 10839 1 16 . 1 1 58 58 LYS HA H 58 3.903 3.903 3.955 -0.052 19354 10840 1 16 . 1 1 58 58 LYS C C 58 177.745 177.745 178.605 -0.860 19354 10841 1 16 . 1 1 58 58 LYS CA C 58 59.470 59.470 59.126 0.344 19354 10842 1 16 . 1 1 58 58 LYS CB C 58 32.130 32.130 31.446 0.684 19354 10843 1 16 . 1 1 58 58 LYS H H 58 8.307 8.307 7.598 0.709 19354 10844 1 16 . 1 1 59 59 GLU N N 59 117.790 117.790 119.332 -1.542 19354 10845 1 16 . 1 1 59 59 GLU HA H 59 3.852 3.852 3.919 -0.067 19354 10846 1 16 . 1 1 59 59 GLU C C 59 178.051 178.051 178.115 -0.064 19354 10847 1 16 . 1 1 59 59 GLU CA C 59 59.094 59.094 59.702 -0.608 19354 10848 1 16 . 1 1 59 59 GLU CB C 59 30.468 30.468 29.027 1.440 19354 10849 1 16 . 1 1 59 59 GLU H H 59 7.537 7.537 7.556 -0.019 19354 10850 1 16 . 1 1 60 60 LEU N N 60 118.763 118.763 120.920 -2.157 19354 10851 1 16 . 1 1 60 60 LEU HA H 60 3.211 3.211 2.907 0.304 19354 10852 1 16 . 1 1 60 60 LEU C C 60 178.070 178.070 178.304 -0.234 19354 10853 1 16 . 1 1 60 60 LEU CA C 60 59.007 59.007 57.079 1.928 19354 10854 1 16 . 1 1 60 60 LEU CB C 60 42.750 42.750 41.762 0.988 19354 10855 1 16 . 1 1 60 60 LEU H H 60 7.321 7.321 7.114 0.207 19354 10856 1 16 . 1 1 61 61 ASN N N 61 116.987 116.987 116.277 0.710 19354 10857 1 16 . 1 1 61 61 ASN HA H 61 4.127 4.127 4.270 -0.143 19354 10858 1 16 . 1 1 61 61 ASN C C 61 177.689 177.689 177.017 0.672 19354 10859 1 16 . 1 1 61 61 ASN CA C 61 57.310 57.310 56.247 1.063 19354 10860 1 16 . 1 1 61 61 ASN CB C 61 39.288 39.288 38.503 0.785 19354 10861 1 16 . 1 1 61 61 ASN H H 61 8.335 8.335 7.984 0.351 19354 10862 1 16 . 1 1 62 62 ASP N N 62 120.935 120.935 118.615 2.320 19354 10863 1 16 . 1 1 62 62 ASP HA H 62 4.306 4.306 4.573 -0.267 19354 10864 1 16 . 1 1 62 62 ASP C C 62 178.868 178.868 178.113 0.755 19354 10865 1 16 . 1 1 62 62 ASP CA C 62 57.510 57.510 56.379 1.131 19354 10866 1 16 . 1 1 62 62 ASP CB C 62 39.596 39.596 40.889 -1.293 19354 10867 1 16 . 1 1 62 62 ASP H H 62 8.376 8.376 7.881 0.495 19354 10868 1 16 . 1 1 63 63 LYS N N 63 119.626 119.626 121.658 -2.032 19354 10869 1 16 . 1 1 63 63 LYS HA H 63 4.168 4.168 4.145 0.023 19354 10870 1 16 . 1 1 63 63 LYS C C 63 179.458 179.458 178.592 0.866 19354 10871 1 16 . 1 1 63 63 LYS CA C 63 55.698 55.698 58.467 -2.769 19354 10872 1 16 . 1 1 63 63 LYS CB C 63 31.082 31.082 31.573 -0.491 19354 10873 1 16 . 1 1 63 63 LYS H H 63 7.748 7.748 7.657 0.091 19354 10874 1 16 . 1 1 64 64 LEU N N 64 120.255 120.255 119.582 0.673 19354 10875 1 16 . 1 1 64 64 LEU HA H 64 3.688 3.688 3.887 -0.199 19354 10876 1 16 . 1 1 64 64 LEU C C 64 178.732 178.732 178.327 0.405 19354 10877 1 16 . 1 1 64 64 LEU CA C 64 57.722 57.722 57.834 -0.112 19354 10878 1 16 . 1 1 64 64 LEU CB C 64 41.236 41.236 40.832 0.404 19354 10879 1 16 . 1 1 64 64 LEU H H 64 8.221 8.221 7.577 0.644 19354 10880 1 16 . 1 1 65 65 ASN N N 65 113.630 113.630 118.027 -4.397 19354 10881 1 16 . 1 1 65 65 ASN HA H 65 4.580 4.580 4.503 0.077 19354 10882 1 16 . 1 1 65 65 ASN C C 65 178.394 178.394 177.622 0.772 19354 10883 1 16 . 1 1 65 65 ASN CA C 65 55.628 55.628 56.778 -1.150 19354 10884 1 16 . 1 1 65 65 ASN CB C 65 38.269 38.269 38.057 0.212 19354 10885 1 16 . 1 1 65 65 ASN H H 65 7.482 7.482 7.930 -0.448 19354 10886 1 16 . 1 1 66 66 ASP N N 66 120.683 120.683 119.661 1.022 19354 10887 1 16 . 1 1 66 66 ASP HA H 66 4.482 4.482 4.462 0.020 19354 10888 1 16 . 1 1 66 66 ASP C C 66 179.095 179.095 178.762 0.333 19354 10889 1 16 . 1 1 66 66 ASP CA C 66 56.623 56.623 57.547 -0.924 19354 10890 1 16 . 1 1 66 66 ASP CB C 66 39.883 39.883 41.026 -1.143 19354 10891 1 16 . 1 1 66 66 ASP H H 66 7.834 7.834 8.368 -0.534 19354 10892 1 16 . 1 1 67 67 TYR N N 67 116.512 116.512 120.212 -3.700 19354 10893 1 16 . 1 1 67 67 TYR HA H 67 3.984 3.984 4.368 -0.384 19354 10894 1 16 . 1 1 67 67 TYR C C 67 176.554 176.554 177.897 -1.343 19354 10895 1 16 . 1 1 67 67 TYR CA C 67 62.142 62.142 60.486 1.656 19354 10896 1 16 . 1 1 67 67 TYR CB C 67 37.436 37.436 38.296 -0.860 19354 10897 1 16 . 1 1 67 67 TYR H H 67 8.132 8.132 7.714 0.418 19354 10898 1 16 . 1 1 68 68 TYR N N 68 118.786 118.786 120.949 -2.163 19354 10899 1 16 . 1 1 68 68 TYR HA H 68 3.632 3.632 3.221 0.411 19354 10900 1 16 . 1 1 68 68 TYR C C 68 177.915 177.915 177.853 0.062 19354 10901 1 16 . 1 1 68 68 TYR CA C 68 61.395 61.395 61.822 -0.427 19354 10902 1 16 . 1 1 68 68 TYR CB C 68 37.345 37.345 37.233 0.112 19354 10903 1 16 . 1 1 68 68 TYR H H 68 7.558 7.558 8.354 -0.796 19354 10904 1 16 . 1 1 69 69 ALA N N 69 120.715 120.715 122.104 -1.389 19354 10905 1 16 . 1 1 69 69 ALA HA H 69 3.935 3.935 3.996 -0.061 19354 10906 1 16 . 1 1 69 69 ALA C C 69 179.390 179.390 179.295 0.095 19354 10907 1 16 . 1 1 69 69 ALA CA C 69 54.015 54.015 54.780 -0.765 19354 10908 1 16 . 1 1 69 69 ALA CB C 69 18.529 18.529 17.786 0.743 19354 10909 1 16 . 1 1 69 69 ALA H H 69 7.453 7.453 7.789 -0.336 19354 10910 1 16 . 1 1 70 70 LEU N N 70 117.212 117.212 119.276 -2.064 19354 10911 1 16 . 1 1 70 70 LEU HA H 70 3.765 3.765 3.926 -0.161 19354 10912 1 16 . 1 1 70 70 LEU C C 70 177.280 177.280 178.056 -0.776 19354 10913 1 16 . 1 1 70 70 LEU CA C 70 56.634 56.634 56.859 -0.225 19354 10914 1 16 . 1 1 70 70 LEU CB C 70 41.045 41.045 41.840 -0.795 19354 10915 1 16 . 1 1 70 70 LEU H H 70 7.764 7.764 8.047 -0.283 19354 10916 1 16 . 1 1 71 71 LYS N N 71 118.756 118.756 118.740 0.016 19354 10917 1 16 . 1 1 71 71 LYS HA H 71 3.039 3.039 3.669 -0.630 19354 10918 1 16 . 1 1 71 71 LYS C C 71 177.121 177.121 177.864 -0.743 19354 10919 1 16 . 1 1 71 71 LYS CA C 71 58.865 58.865 58.885 -0.020 19354 10920 1 16 . 1 1 71 71 LYS CB C 71 31.247 31.247 31.240 0.007 19354 10921 1 16 . 1 1 71 71 LYS H H 71 7.001 7.001 8.086 -1.085 19354 10922 1 16 . 1 1 72 72 HIS N N 72 113.331 113.331 117.617 -4.286 19354 10923 1 16 . 1 1 72 72 HIS HA H 72 4.304 4.304 4.277 0.027 19354 10924 1 16 . 1 1 72 72 HIS C C 72 174.232 174.232 175.904 -1.672 19354 10925 1 16 . 1 1 72 72 HIS CA C 72 57.245 57.245 58.834 -1.589 19354 10926 1 16 . 1 1 72 72 HIS CB C 72 30.221 30.221 30.126 0.095 19354 10927 1 16 . 1 1 72 72 HIS H H 72 6.973 6.973 7.668 -0.695 19354 10928 1 16 . 1 1 73 73 VAL N N 73 121.486 121.486 120.220 1.266 19354 10929 1 16 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.448 0.083 19354 10930 1 16 . 1 1 73 73 VAL CA C 73 59.159 59.159 58.345 0.814 19354 10931 1 16 . 1 1 73 73 VAL CB C 73 30.604 30.604 32.459 -1.855 19354 10932 1 16 . 1 1 73 73 VAL H H 73 7.821 7.821 7.976 -0.155 19354 10933 1 16 . 1 1 74 74 PRO HA H 74 4.070 4.070 4.701 -0.631 19354 10934 1 16 . 1 1 74 74 PRO CA C 74 66.637 66.637 65.284 1.353 19354 10935 1 16 . 1 1 74 74 PRO CB C 74 32.212 32.212 32.300 -0.087 19354 10936 1 16 . 1 1 75 75 LYS N N 75 116.832 116.832 120.249 -3.417 19354 10937 1 16 . 1 1 75 75 LYS HA H 75 4.099 4.099 4.167 -0.068 19354 10938 1 16 . 1 1 75 75 LYS C C 75 180.048 180.048 178.110 1.938 19354 10939 1 16 . 1 1 75 75 LYS CA C 75 59.398 59.398 59.301 0.097 19354 10940 1 16 . 1 1 75 75 LYS CB C 75 31.296 31.296 31.756 -0.460 19354 10941 1 16 . 1 1 75 75 LYS H H 75 9.234 9.234 8.651 0.583 19354 10942 1 16 . 1 1 76 76 CYS N N 76 116.333 116.333 117.311 -0.978 19354 10943 1 16 . 1 1 76 76 CYS HA H 76 4.320 4.320 4.599 -0.279 19354 10944 1 16 . 1 1 76 76 CYS C C 76 175.012 175.012 176.568 -1.556 19354 10945 1 16 . 1 1 76 76 CYS CA C 76 58.297 58.297 60.651 -2.353 19354 10946 1 16 . 1 1 76 76 CYS CB C 76 38.803 38.803 26.334 12.469 19354 10947 1 16 . 1 1 76 76 CYS H H 76 7.496 7.496 8.150 -0.654 19354 10948 1 16 . 1 1 77 77 TRP N N 77 119.987 119.987 123.199 -3.212 19354 10949 1 16 . 1 1 77 77 TRP HA H 77 4.452 4.452 4.301 0.151 19354 10950 1 16 . 1 1 77 77 TRP C C 77 177.462 177.462 177.874 -0.412 19354 10951 1 16 . 1 1 77 77 TRP CA C 77 58.821 58.821 59.941 -1.121 19354 10952 1 16 . 1 1 77 77 TRP CB C 77 30.425 30.425 29.263 1.162 19354 10953 1 16 . 1 1 77 77 TRP H H 77 8.254 8.254 8.456 -0.202 19354 10954 1 16 . 1 1 78 78 ALA N N 78 116.093 116.093 120.855 -4.762 19354 10955 1 16 . 1 1 78 78 ALA HA H 78 3.736 3.736 3.532 0.204 19354 10956 1 16 . 1 1 78 78 ALA C C 78 178.845 178.845 178.625 0.220 19354 10957 1 16 . 1 1 78 78 ALA CA C 78 54.188 54.188 54.348 -0.160 19354 10958 1 16 . 1 1 78 78 ALA CB C 78 18.323 18.323 17.608 0.715 19354 10959 1 16 . 1 1 78 78 ALA H H 78 7.968 7.968 7.983 -0.015 19354 10960 1 16 . 1 1 79 79 ALA N N 79 116.351 116.351 120.235 -3.884 19354 10961 1 16 . 1 1 79 79 ALA HA H 79 4.147 4.147 4.121 0.026 19354 10962 1 16 . 1 1 79 79 ALA C C 79 178.414 178.414 177.954 0.460 19354 10963 1 16 . 1 1 79 79 ALA CA C 79 53.243 53.243 53.619 -0.376 19354 10964 1 16 . 1 1 79 79 ALA CB C 79 19.832 19.832 18.678 1.154 19354 10965 1 16 . 1 1 79 79 ALA H H 79 6.929 6.929 7.808 -0.879 19354 10966 1 16 . 1 1 80 80 ILE N N 80 115.150 115.150 117.478 -2.328 19354 10967 1 16 . 1 1 80 80 ILE HA H 80 4.218 4.218 4.141 0.077 19354 10968 1 16 . 1 1 80 80 ILE C C 80 176.350 176.350 176.280 0.070 19354 10969 1 16 . 1 1 80 80 ILE CA C 80 62.069 62.069 60.082 1.987 19354 10970 1 16 . 1 1 80 80 ILE CB C 80 39.375 39.375 37.877 1.498 19354 10971 1 16 . 1 1 80 80 ILE H H 80 8.695 8.695 7.500 1.195 19354 10972 1 16 . 1 1 81 81 GLN N N 81 122.564 122.564 121.428 1.136 19354 10973 1 16 . 1 1 81 81 GLN HA H 81 3.332 3.332 4.005 -0.673 19354 10974 1 16 . 1 1 81 81 GLN C C 81 173.470 173.470 175.259 -1.789 19354 10975 1 16 . 1 1 81 81 GLN CA C 81 61.829 61.829 61.166 0.663 19354 10976 1 16 . 1 1 81 81 GLN CB C 81 25.973 25.973 27.008 -1.034 19354 10977 1 16 . 1 1 81 81 GLN H H 81 7.315 7.315 7.352 -0.037 19354 10978 1 16 . 1 1 82 82 PRO HA H 82 4.076 4.076 4.220 -0.144 19354 10979 1 16 . 1 1 82 82 PRO CA C 82 65.894 65.894 64.687 1.207 19354 10980 1 16 . 1 1 82 82 PRO CB C 82 30.481 30.481 31.554 -1.073 19354 10981 1 16 . 1 1 83 83 PHE N N 83 119.137 119.137 118.050 1.087 19354 10982 1 16 . 1 1 83 83 PHE HA H 83 4.289 4.289 4.380 -0.091 19354 10983 1 16 . 1 1 83 83 PHE C C 83 175.919 175.919 175.610 0.309 19354 10984 1 16 . 1 1 83 83 PHE CA C 83 59.712 59.712 56.823 2.889 19354 10985 1 16 . 1 1 83 83 PHE CB C 83 39.329 39.329 39.209 0.120 19354 10986 1 16 . 1 1 83 83 PHE H H 83 6.892 6.892 7.766 -0.874 19354 10987 1 16 . 1 1 84 84 LEU N N 84 116.693 116.693 119.695 -3.002 19354 10988 1 16 . 1 1 84 84 LEU HA H 84 3.611 3.611 3.198 0.413 19354 10989 1 16 . 1 1 84 84 LEU C C 84 180.297 180.297 177.445 2.852 19354 10990 1 16 . 1 1 84 84 LEU CA C 84 57.952 57.952 57.341 0.611 19354 10991 1 16 . 1 1 84 84 LEU CB C 84 41.645 41.645 40.569 1.075 19354 10992 1 16 . 1 1 84 84 LEU H H 84 8.589 8.589 7.722 0.867 19354 10993 1 16 . 1 1 85 85 CYS N N 85 115.085 115.085 114.674 0.411 19354 10994 1 16 . 1 1 85 85 CYS HA H 85 4.127 4.127 4.261 -0.134 19354 10995 1 16 . 1 1 85 85 CYS C C 85 175.556 175.556 176.336 -0.780 19354 10996 1 16 . 1 1 85 85 CYS CA C 85 57.678 57.678 60.287 -2.609 19354 10997 1 16 . 1 1 85 85 CYS CB C 85 39.396 39.396 27.312 12.084 19354 10998 1 16 . 1 1 85 85 CYS H H 85 8.001 8.001 7.216 0.785 19354 10999 1 16 . 1 1 86 86 ALA N N 86 121.743 121.743 121.740 0.003 19354 11000 1 16 . 1 1 86 86 ALA HA H 86 3.922 3.922 4.289 -0.367 19354 11001 1 16 . 1 1 86 86 ALA C C 86 177.745 177.745 177.122 0.623 19354 11002 1 16 . 1 1 86 86 ALA CA C 86 54.306 54.306 53.654 0.652 19354 11003 1 16 . 1 1 86 86 ALA CB C 86 18.778 18.778 18.462 0.316 19354 11004 1 16 . 1 1 86 86 ALA H H 86 7.671 7.671 7.515 0.156 19354 11005 1 16 . 1 1 87 87 VAL N N 87 115.667 115.667 115.377 0.290 19354 11006 1 16 . 1 1 87 87 VAL HA H 87 3.735 3.735 3.491 0.244 19354 11007 1 16 . 1 1 87 87 VAL C C 87 175.806 175.806 175.060 0.746 19354 11008 1 16 . 1 1 87 87 VAL CA C 87 64.622 64.622 62.827 1.795 19354 11009 1 16 . 1 1 87 87 VAL CB C 87 32.936 32.936 31.533 1.403 19354 11010 1 16 . 1 1 87 87 VAL H H 87 7.460 7.460 7.084 0.376 19354 11011 1 16 . 1 1 88 88 PHE N N 88 115.306 115.306 117.213 -1.907 19354 11012 1 16 . 1 1 88 88 PHE HA H 88 4.048 4.048 4.669 -0.621 19354 11013 1 16 . 1 1 88 88 PHE C C 88 176.192 176.192 175.768 0.424 19354 11014 1 16 . 1 1 88 88 PHE CA C 88 60.420 60.420 58.286 2.134 19354 11015 1 16 . 1 1 88 88 PHE CB C 88 40.182 40.182 40.221 -0.039 19354 11016 1 16 . 1 1 88 88 PHE H H 88 8.930 8.930 6.982 1.948 19354 11017 1 16 . 1 1 89 89 LYS N N 89 115.470 115.470 119.763 -4.293 19354 11018 1 16 . 1 1 89 89 LYS HA H 89 4.816 4.816 4.830 -0.014 19354 11019 1 16 . 1 1 89 89 LYS C C 89 184.176 184.176 174.027 10.149 19354 11020 1 16 . 1 1 89 89 LYS CA C 89 53.428 53.428 52.560 0.868 19354 11021 1 16 . 1 1 89 89 LYS CB C 89 33.274 33.274 31.695 1.579 19354 11022 1 16 . 1 1 89 89 LYS H H 89 7.802 7.802 7.650 0.152 19354 11023 1 16 . 1 1 90 90 PRO HA H 90 4.250 4.250 4.286 -0.036 19354 11024 1 16 . 1 1 90 90 PRO CA C 90 62.682 62.682 62.334 0.348 19354 11025 1 16 . 1 1 90 90 PRO CB C 90 32.358 32.358 32.356 0.002 19354 11026 1 16 . 1 1 91 91 LYS N N 91 122.391 122.391 121.733 0.658 19354 11027 1 16 . 1 1 91 91 LYS HA H 91 3.039 3.039 2.956 0.083 19354 11028 1 16 . 1 1 91 91 LYS C C 91 173.356 173.356 175.282 -1.926 19354 11029 1 16 . 1 1 91 91 LYS CA C 91 58.027 58.027 55.858 2.169 19354 11030 1 16 . 1 1 91 91 LYS CB C 91 31.285 31.285 32.161 -0.876 19354 11031 1 16 . 1 1 91 91 LYS H H 91 8.537 8.537 8.226 0.311 19354 11032 1 16 . 1 1 92 92 CYS N N 92 127.562 127.562 127.703 -0.141 19354 11033 1 16 . 1 1 92 92 CYS HA H 92 5.391 5.391 4.912 0.479 19354 11034 1 16 . 1 1 92 92 CYS C C 92 171.655 171.655 173.414 -1.759 19354 11035 1 16 . 1 1 92 92 CYS CA C 92 53.804 53.804 57.983 -4.179 19354 11036 1 16 . 1 1 92 92 CYS CB C 92 41.219 41.219 27.808 13.411 19354 11037 1 16 . 1 1 92 92 CYS H H 92 7.037 7.037 8.237 -1.200 19354 11038 1 16 . 1 1 93 93 GLU N N 93 124.483 124.483 127.060 -2.577 19354 11039 1 16 . 1 1 93 93 GLU HA H 93 4.492 4.492 4.714 -0.222 19354 11040 1 16 . 1 1 93 93 GLU C C 93 173.371 173.371 175.300 -1.929 19354 11041 1 16 . 1 1 93 93 GLU CA C 93 54.874 54.874 54.119 0.755 19354 11042 1 16 . 1 1 93 93 GLU CB C 93 34.630 34.630 33.844 0.786 19354 11043 1 16 . 1 1 93 93 GLU H H 93 9.401 9.401 8.093 1.308 19354 11044 1 16 . 1 1 94 94 LYS N N 94 122.694 122.694 121.989 0.705 19354 11045 1 16 . 1 1 94 94 LYS HA H 94 4.581 4.581 4.675 -0.094 19354 11046 1 16 . 1 1 94 94 LYS C C 94 176.509 176.509 176.785 -0.276 19354 11047 1 16 . 1 1 94 94 LYS CA C 94 55.856 55.856 55.629 0.227 19354 11048 1 16 . 1 1 94 94 LYS CB C 94 31.809 31.809 32.892 -1.083 19354 11049 1 16 . 1 1 94 94 LYS H H 94 8.526 8.526 8.583 -0.057 19354 11050 1 16 . 1 1 95 95 ILE N N 95 128.382 128.382 127.142 1.240 19354 11051 1 16 . 1 1 95 95 ILE HA H 95 4.049 4.049 4.119 -0.070 19354 11052 1 16 . 1 1 95 95 ILE C C 95 176.337 176.337 175.927 0.410 19354 11053 1 16 . 1 1 95 95 ILE CA C 95 60.847 60.847 60.632 0.215 19354 11054 1 16 . 1 1 95 95 ILE CB C 95 39.625 39.625 38.251 1.374 19354 11055 1 16 . 1 1 95 95 ILE H H 95 9.001 9.001 8.600 0.401 19354 11056 1 16 . 1 1 96 96 ASN N N 96 127.596 127.596 127.688 -0.092 19354 11057 1 16 . 1 1 96 96 ASN HA H 96 4.212 4.212 4.384 -0.172 19354 11058 1 16 . 1 1 96 96 ASN C C 96 175.496 175.496 175.117 0.379 19354 11059 1 16 . 1 1 96 96 ASN CA C 96 53.970 53.970 53.633 0.337 19354 11060 1 16 . 1 1 96 96 ASN CB C 96 37.238 37.238 38.003 -0.765 19354 11061 1 16 . 1 1 96 96 ASN H H 96 9.474 9.474 9.376 0.098 19354 11062 1 16 . 1 1 97 97 GLY N N 97 101.656 101.656 102.610 -0.954 19354 11063 1 16 . 1 1 97 97 GLY C C 97 173.651 173.651 173.710 -0.059 19354 11064 1 16 . 1 1 97 97 GLY CA C 97 45.167 45.167 44.885 0.283 19354 11065 1 16 . 1 1 97 97 GLY H H 97 8.476 8.476 8.199 0.277 19354 11066 1 16 . 1 1 98 98 GLU N N 98 120.042 120.042 120.720 -0.678 19354 11067 1 16 . 1 1 98 98 GLU HA H 98 4.587 4.587 4.485 0.102 19354 11068 1 16 . 1 1 98 98 GLU C C 98 174.422 174.422 175.252 -0.830 19354 11069 1 16 . 1 1 98 98 GLU CA C 98 54.294 54.294 54.324 -0.030 19354 11070 1 16 . 1 1 98 98 GLU CB C 98 32.934 32.934 31.152 1.782 19354 11071 1 16 . 1 1 98 98 GLU H H 98 7.591 7.591 7.878 -0.287 19354 11072 1 16 . 1 1 99 99 ASP N N 99 126.603 126.603 127.635 -1.032 19354 11073 1 16 . 1 1 99 99 ASP HA H 99 4.340 4.340 4.486 -0.145 19354 11074 1 16 . 1 1 99 99 ASP C C 99 176.214 176.214 175.250 0.964 19354 11075 1 16 . 1 1 99 99 ASP CA C 99 55.408 55.408 55.862 -0.454 19354 11076 1 16 . 1 1 99 99 ASP CB C 99 41.629 41.629 40.664 0.965 19354 11077 1 16 . 1 1 99 99 ASP H H 99 8.489 8.489 8.760 -0.271 19354 11078 1 16 . 1 1 100 100 MET N N 100 121.977 121.977 121.367 0.610 19354 11079 1 16 . 1 1 100 100 MET HA H 100 4.911 4.911 5.418 -0.507 19354 11080 1 16 . 1 1 100 100 MET C C 100 172.900 172.900 174.839 -1.939 19354 11081 1 16 . 1 1 100 100 MET CA C 100 53.649 53.649 53.599 0.050 19354 11082 1 16 . 1 1 100 100 MET CB C 100 35.529 35.529 36.722 -1.193 19354 11083 1 16 . 1 1 100 100 MET H H 100 8.853 8.853 8.390 0.463 19354 11084 1 16 . 1 1 101 101 VAL N N 101 119.963 119.963 113.564 6.399 19354 11085 1 16 . 1 1 101 101 VAL HA H 101 4.814 4.814 4.443 0.371 19354 11086 1 16 . 1 1 101 101 VAL C C 101 172.991 172.991 173.534 -0.543 19354 11087 1 16 . 1 1 101 101 VAL CA C 101 58.203 58.203 59.535 -1.332 19354 11088 1 16 . 1 1 101 101 VAL CB C 101 34.629 34.629 35.150 -0.521 19354 11089 1 16 . 1 1 101 101 VAL H H 101 8.964 8.964 8.348 0.616 19354 11090 1 16 . 1 1 102 102 TYR N N 102 125.849 125.849 121.940 3.909 19354 11091 1 16 . 1 1 102 102 TYR HA H 102 4.444 4.444 4.842 -0.398 19354 11092 1 16 . 1 1 102 102 TYR C C 102 176.464 176.464 175.799 0.665 19354 11093 1 16 . 1 1 102 102 TYR CA C 102 57.549 57.549 57.024 0.525 19354 11094 1 16 . 1 1 102 102 TYR CB C 102 38.274 38.274 41.165 -2.891 19354 11095 1 16 . 1 1 102 102 TYR H H 102 8.137 8.137 7.930 0.207 19354 11096 1 16 . 1 1 103 103 LEU N N 103 123.151 123.151 120.635 2.516 19354 11097 1 16 . 1 1 103 103 LEU HA H 103 4.683 4.683 5.041 -0.358 19354 11098 1 16 . 1 1 103 103 LEU CA C 103 52.426 52.426 51.362 1.063 19354 11099 1 16 . 1 1 103 103 LEU CB C 103 42.038 42.038 41.641 0.397 19354 11100 1 16 . 1 1 103 103 LEU H H 103 8.308 8.308 8.583 -0.275 19354 11101 1 16 . 1 1 104 104 PRO HA H 104 4.678 4.678 4.562 0.116 19354 11102 1 16 . 1 1 104 104 PRO CA C 104 61.704 61.704 62.563 -0.859 19354 11103 1 16 . 1 1 104 104 PRO CB C 104 32.020 32.020 32.749 -0.729 19354 11104 1 16 . 1 1 105 105 SER N N 105 113.955 113.955 116.153 -2.198 19354 11105 1 16 . 1 1 105 105 SER HA H 105 4.632 4.632 4.699 -0.067 19354 11106 1 16 . 1 1 105 105 SER C C 105 175.473 175.473 175.637 -0.164 19354 11107 1 16 . 1 1 105 105 SER CA C 105 56.324 56.324 57.122 -0.798 19354 11108 1 16 . 1 1 105 105 SER CB C 105 65.193 65.193 66.127 -0.934 19354 11109 1 16 . 1 1 105 105 SER H H 105 7.668 7.668 8.496 -0.828 19354 11110 1 16 . 1 1 106 106 TYR N N 106 122.582 122.582 121.295 1.287 19354 11111 1 16 . 1 1 106 106 TYR HA H 106 3.724 3.724 4.185 -0.461 19354 11112 1 16 . 1 1 106 106 TYR C C 106 178.116 178.116 177.502 0.614 19354 11113 1 16 . 1 1 106 106 TYR CA C 106 62.057 62.057 60.655 1.402 19354 11114 1 16 . 1 1 106 106 TYR CB C 106 37.925 37.925 37.615 0.310 19354 11115 1 16 . 1 1 106 106 TYR H H 106 8.492 8.492 8.913 -0.421 19354 11116 1 16 . 1 1 107 107 GLU N N 107 118.362 118.362 119.144 -0.782 19354 11117 1 16 . 1 1 107 107 GLU HA H 107 3.846 3.846 3.468 0.378 19354 11118 1 16 . 1 1 107 107 GLU C C 107 177.421 177.421 178.476 -1.055 19354 11119 1 16 . 1 1 107 107 GLU CA C 107 58.867 58.867 59.168 -0.301 19354 11120 1 16 . 1 1 107 107 GLU CB C 107 28.969 28.969 28.757 0.212 19354 11121 1 16 . 1 1 107 107 GLU H H 107 8.503 8.503 7.828 0.675 19354 11122 1 16 . 1 1 108 108 MET N N 108 116.221 116.221 117.862 -1.641 19354 11123 1 16 . 1 1 108 108 MET HA H 108 3.708 3.708 3.843 -0.135 19354 11124 1 16 . 1 1 108 108 MET C C 108 176.804 176.804 177.646 -0.842 19354 11125 1 16 . 1 1 108 108 MET CA C 108 58.648 58.648 58.654 -0.006 19354 11126 1 16 . 1 1 108 108 MET CB C 108 33.058 33.058 32.186 0.872 19354 11127 1 16 . 1 1 108 108 MET H H 108 7.409 7.409 7.746 -0.337 19354 11128 1 16 . 1 1 109 109 CYS N N 109 114.131 114.131 116.514 -2.383 19354 11129 1 16 . 1 1 109 109 CYS HA H 109 3.857 3.857 3.653 0.204 19354 11130 1 16 . 1 1 109 109 CYS C C 109 178.047 178.047 176.557 1.490 19354 11131 1 16 . 1 1 109 109 CYS CA C 109 58.737 58.737 59.974 -1.237 19354 11132 1 16 . 1 1 109 109 CYS CB C 109 35.006 35.006 26.137 8.869 19354 11133 1 16 . 1 1 109 109 CYS H H 109 6.817 6.817 7.628 -0.811 19354 11134 1 16 . 1 1 110 110 ARG N N 110 124.629 124.629 121.418 3.211 19354 11135 1 16 . 1 1 110 110 ARG HA H 110 3.376 3.376 4.057 -0.681 19354 11136 1 16 . 1 1 110 110 ARG C C 110 179.435 179.435 178.052 1.383 19354 11137 1 16 . 1 1 110 110 ARG CA C 110 59.641 59.641 59.005 0.636 19354 11138 1 16 . 1 1 110 110 ARG CB C 110 29.273 29.273 29.759 -0.486 19354 11139 1 16 . 1 1 110 110 ARG H H 110 8.885 8.885 7.766 1.119 19354 11140 1 16 . 1 1 111 111 ILE N N 111 113.379 113.379 117.886 -4.507 19354 11141 1 16 . 1 1 111 111 ILE HA H 111 3.796 3.796 3.784 0.012 19354 11142 1 16 . 1 1 111 111 ILE C C 111 175.624 175.624 177.021 -1.397 19354 11143 1 16 . 1 1 111 111 ILE CA C 111 63.811 63.811 64.099 -0.288 19354 11144 1 16 . 1 1 111 111 ILE CB C 111 38.229 38.229 36.518 1.711 19354 11145 1 16 . 1 1 111 111 ILE H H 111 7.422 7.422 7.947 -0.525 19354 11146 1 16 . 1 1 112 112 THR N N 112 109.403 109.403 109.216 0.187 19354 11147 1 16 . 1 1 112 112 THR HA H 112 3.889 3.889 4.372 -0.483 19354 11148 1 16 . 1 1 112 112 THR C C 112 175.798 175.798 176.320 -0.522 19354 11149 1 16 . 1 1 112 112 THR CA C 112 62.856 62.856 64.667 -1.811 19354 11150 1 16 . 1 1 112 112 THR CB C 112 70.168 70.168 70.298 -0.130 19354 11151 1 16 . 1 1 112 112 THR H H 112 7.574 7.574 7.412 0.162 19354 11152 1 16 . 1 1 113 113 MET N N 113 119.638 119.638 120.843 -1.205 19354 11153 1 16 . 1 1 113 113 MET HA H 113 3.541 3.541 4.622 -1.081 19354 11154 1 16 . 1 1 113 113 MET C C 113 177.174 177.174 178.068 -0.894 19354 11155 1 16 . 1 1 113 113 MET CA C 113 60.235 60.235 58.684 1.551 19354 11156 1 16 . 1 1 113 113 MET CB C 113 32.338 32.338 32.248 0.090 19354 11157 1 16 . 1 1 113 113 MET H H 113 7.152 7.152 7.363 -0.211 19354 11158 1 16 . 1 1 114 114 GLU N N 114 117.224 117.224 121.040 -3.816 19354 11159 1 16 . 1 1 114 114 GLU HA H 114 4.114 4.114 4.146 -0.032 19354 11160 1 16 . 1 1 114 114 GLU CA C 114 60.422 60.422 60.977 -0.555 19354 11161 1 16 . 1 1 114 114 GLU CB C 114 26.103 26.103 27.642 -1.539 19354 11162 1 16 . 1 1 114 114 GLU H H 114 8.580 8.580 8.704 -0.124 19354 11163 1 16 . 1 1 115 115 PRO HA H 115 4.304 4.304 4.388 -0.084 19354 11164 1 16 . 1 1 115 115 PRO CA C 115 65.128 65.128 64.334 0.794 19354 11165 1 16 . 1 1 115 115 PRO CB C 115 31.141 31.141 31.940 -0.799 19354 11166 1 16 . 1 1 116 116 CYS N N 116 111.879 111.879 120.948 -9.069 19354 11167 1 16 . 1 1 116 116 CYS HA H 116 4.679 4.679 4.848 -0.169 19354 11168 1 16 . 1 1 116 116 CYS C C 116 174.808 174.808 175.717 -0.909 19354 11169 1 16 . 1 1 116 116 CYS CA C 116 54.060 54.060 57.777 -3.717 19354 11170 1 16 . 1 1 116 116 CYS CB C 116 42.879 42.879 25.375 17.504 19354 11171 1 16 . 1 1 116 116 CYS H H 116 7.208 7.208 8.082 -0.874 19354 11172 1 16 . 1 1 117 117 ARG N N 117 123.750 123.750 123.845 -0.095 19354 11173 1 16 . 1 1 117 117 ARG HA H 117 3.161 3.161 4.269 -1.108 19354 11174 1 16 . 1 1 117 117 ARG C C 117 178.210 178.210 177.225 0.985 19354 11175 1 16 . 1 1 117 117 ARG CA C 117 59.743 59.743 59.400 0.343 19354 11176 1 16 . 1 1 117 117 ARG CB C 117 29.486 29.486 30.482 -0.996 19354 11177 1 16 . 1 1 117 117 ARG H H 117 7.436 7.436 7.848 -0.412 19354 11178 1 16 . 1 1 118 118 ILE N N 118 116.384 116.384 117.999 -1.615 19354 11179 1 16 . 1 1 118 118 ILE HA H 118 4.000 4.000 3.659 0.341 19354 11180 1 16 . 1 1 118 118 ILE C C 118 176.577 176.577 176.175 0.402 19354 11181 1 16 . 1 1 118 118 ILE CA C 118 63.166 63.166 62.768 0.398 19354 11182 1 16 . 1 1 118 118 ILE CB C 118 37.781 37.781 36.891 0.890 19354 11183 1 16 . 1 1 118 118 ILE H H 118 8.130 8.130 7.989 0.141 19354 11184 1 16 . 1 1 119 119 LEU N N 119 119.738 119.738 119.176 0.562 19354 11185 1 16 . 1 1 119 119 LEU HA H 119 4.540 4.540 4.190 0.350 19354 11186 1 16 . 1 1 119 119 LEU C C 119 178.346 178.346 177.356 0.990 19354 11187 1 16 . 1 1 119 119 LEU CA C 119 54.697 54.697 53.333 1.364 19354 11188 1 16 . 1 1 119 119 LEU CB C 119 42.872 42.872 41.016 1.856 19354 11189 1 16 . 1 1 119 119 LEU H H 119 7.771 7.771 7.472 0.299 19354 11190 1 16 . 1 1 120 120 TYR N N 120 121.945 121.945 116.290 5.655 19354 11191 1 16 . 1 1 120 120 TYR HA H 120 4.125 4.125 4.200 -0.075 19354 11192 1 16 . 1 1 120 120 TYR C C 120 176.169 176.169 175.638 0.531 19354 11193 1 16 . 1 1 120 120 TYR CA C 120 59.682 59.682 59.140 0.542 19354 11194 1 16 . 1 1 120 120 TYR CB C 120 37.180 37.180 37.804 -0.624 19354 11195 1 16 . 1 1 120 120 TYR H H 120 7.886 7.886 7.274 0.612 19354 11196 1 16 . 1 1 121 121 ASN N N 121 115.992 115.992 109.330 6.662 19354 11197 1 16 . 1 1 121 121 ASN HA H 121 4.885 4.885 4.720 0.165 19354 11198 1 16 . 1 1 121 121 ASN C C 121 175.612 175.612 174.927 0.685 19354 11199 1 16 . 1 1 121 121 ASN CA C 121 52.670 52.670 53.024 -0.354 19354 11200 1 16 . 1 1 121 121 ASN CB C 121 38.058 38.058 38.627 -0.569 19354 11201 1 16 . 1 1 121 121 ASN H H 121 8.228 8.228 8.012 0.216 19354 11202 1 16 . 1 1 122 122 THR N N 122 109.094 109.094 116.989 -7.895 19354 11203 1 16 . 1 1 122 122 THR HA H 122 4.682 4.682 4.313 0.369 19354 11204 1 16 . 1 1 122 122 THR C C 122 175.844 175.844 175.931 -0.087 19354 11205 1 16 . 1 1 122 122 THR CA C 122 61.815 61.815 63.866 -2.051 19354 11206 1 16 . 1 1 122 122 THR CB C 122 72.484 72.484 69.991 2.493 19354 11207 1 16 . 1 1 122 122 THR H H 122 7.649 7.649 8.130 -0.481 19354 11208 1 16 . 1 1 123 123 THR N N 123 112.067 112.067 123.113 -11.046 19354 11209 1 16 . 1 1 123 123 THR HA H 123 4.026 4.026 4.408 -0.382 19354 11210 1 16 . 1 1 123 123 THR C C 123 175.033 175.033 173.955 1.078 19354 11211 1 16 . 1 1 123 123 THR CA C 123 63.174 63.174 61.853 1.321 19354 11212 1 16 . 1 1 123 123 THR CB C 123 68.529 68.529 67.254 1.275 19354 11213 1 16 . 1 1 123 123 THR H H 123 8.261 8.261 8.629 -0.368 19354 11214 1 16 . 1 1 124 124 PHE N N 124 118.139 118.139 123.968 -5.829 19354 11215 1 16 . 1 1 124 124 PHE HA H 124 4.153 4.153 4.270 -0.117 19354 11216 1 16 . 1 1 124 124 PHE C C 124 175.398 175.398 174.099 1.299 19354 11217 1 16 . 1 1 124 124 PHE CA C 124 59.890 59.890 58.671 1.219 19354 11218 1 16 . 1 1 124 124 PHE CB C 124 39.668 39.668 40.643 -0.975 19354 11219 1 16 . 1 1 124 124 PHE H H 124 7.764 7.764 8.230 -0.466 19354 11220 1 16 . 1 1 125 125 PHE N N 125 118.447 118.447 116.128 2.319 19354 11221 1 16 . 1 1 125 125 PHE HA H 125 4.662 4.662 4.890 -0.228 19354 11222 1 16 . 1 1 125 125 PHE CA C 125 56.245 56.245 55.328 0.917 19354 11223 1 16 . 1 1 125 125 PHE CB C 125 38.810 38.810 39.598 -0.788 19354 11224 1 16 . 1 1 125 125 PHE H H 125 7.670 7.670 7.969 -0.299 19354 11225 1 16 . 1 1 126 126 PRO HA H 126 4.398 4.398 4.357 0.041 19354 11226 1 16 . 1 1 126 126 PRO CA C 126 62.432 62.432 65.318 -2.886 19354 11227 1 16 . 1 1 126 126 PRO CB C 126 32.670 32.670 32.408 0.262 19354 11228 1 16 . 1 1 127 127 LYS N N 127 118.753 118.753 118.630 0.123 19354 11229 1 16 . 1 1 127 127 LYS HA H 127 3.580 3.580 4.159 -0.579 19354 11230 1 16 . 1 1 127 127 LYS C C 127 177.977 177.977 179.581 -1.604 19354 11231 1 16 . 1 1 127 127 LYS CA C 127 60.279 60.279 59.453 0.826 19354 11232 1 16 . 1 1 127 127 LYS CB C 127 31.599 31.599 31.746 -0.147 19354 11233 1 16 . 1 1 127 127 LYS H H 127 8.565 8.565 8.425 0.140 19354 11234 1 16 . 1 1 128 128 PHE N N 128 110.638 110.638 119.426 -8.788 19354 11235 1 16 . 1 1 128 128 PHE HA H 128 4.481 4.481 4.584 -0.103 19354 11236 1 16 . 1 1 128 128 PHE C C 128 173.946 173.946 176.016 -2.070 19354 11237 1 16 . 1 1 128 128 PHE CA C 128 57.841 57.841 60.295 -2.454 19354 11238 1 16 . 1 1 128 128 PHE CB C 128 36.807 36.807 39.043 -2.236 19354 11239 1 16 . 1 1 128 128 PHE H H 128 6.795 6.795 8.153 -1.358 19354 11240 1 16 . 1 1 129 129 LEU N N 129 119.653 119.653 119.956 -0.303 19354 11241 1 16 . 1 1 129 129 LEU HA H 129 4.710 4.710 3.762 0.948 19354 11242 1 16 . 1 1 129 129 LEU C C 129 175.398 175.398 177.783 -2.385 19354 11243 1 16 . 1 1 129 129 LEU CA C 129 53.169 53.169 56.414 -3.245 19354 11244 1 16 . 1 1 129 129 LEU CB C 129 44.901 44.901 42.722 2.179 19354 11245 1 16 . 1 1 129 129 LEU H H 129 7.204 7.204 7.709 -0.505 19354 11246 1 16 . 1 1 130 130 ARG N N 130 116.807 116.807 116.789 0.018 19354 11247 1 16 . 1 1 130 130 ARG HA H 130 4.328 4.328 4.075 0.253 19354 11248 1 16 . 1 1 130 130 ARG C C 130 177.099 177.099 174.923 2.176 19354 11249 1 16 . 1 1 130 130 ARG CA C 130 55.250 55.250 57.153 -1.903 19354 11250 1 16 . 1 1 130 130 ARG CB C 130 30.355 30.355 28.776 1.579 19354 11251 1 16 . 1 1 130 130 ARG H H 130 7.090 7.090 8.387 -1.297 19354 11252 1 16 . 1 1 131 131 CYS N N 131 117.271 117.271 115.700 1.571 19354 11253 1 16 . 1 1 131 131 CYS HA H 131 4.588 4.588 4.843 -0.255 19354 11254 1 16 . 1 1 131 131 CYS C C 131 175.022 175.022 173.873 1.149 19354 11255 1 16 . 1 1 131 131 CYS CA C 131 54.449 54.449 55.620 -1.171 19354 11256 1 16 . 1 1 131 131 CYS CB C 131 34.958 34.958 30.061 4.896 19354 11257 1 16 . 1 1 131 131 CYS H H 131 8.210 8.210 8.048 0.162 19354 11258 1 16 . 1 1 132 132 ASN N N 132 120.232 120.232 122.639 -2.407 19354 11259 1 16 . 1 1 132 132 ASN HA H 132 4.811 4.811 4.515 0.296 19354 11260 1 16 . 1 1 132 132 ASN C C 132 175.080 175.080 174.923 0.157 19354 11261 1 16 . 1 1 132 132 ASN CA C 132 53.188 53.188 53.356 -0.168 19354 11262 1 16 . 1 1 132 132 ASN CB C 132 40.003 40.003 38.924 1.079 19354 11263 1 16 . 1 1 132 132 ASN H H 132 7.801 7.801 8.570 -0.769 19354 11264 1 16 . 1 1 133 133 GLU N N 133 123.435 123.435 123.266 0.169 19354 11265 1 16 . 1 1 133 133 GLU HA H 133 4.225 4.225 4.454 -0.229 19354 11266 1 16 . 1 1 133 133 GLU C C 133 176.447 176.447 177.870 -1.423 19354 11267 1 16 . 1 1 133 133 GLU CA C 133 57.928 57.928 57.800 0.128 19354 11268 1 16 . 1 1 133 133 GLU CB C 133 29.822 29.822 30.304 -0.482 19354 11269 1 16 . 1 1 133 133 GLU H H 133 9.086 9.086 8.570 0.516 19354 11270 1 16 . 1 1 134 134 THR N N 134 113.403 113.403 113.050 0.353 19354 11271 1 16 . 1 1 134 134 THR HA H 134 3.964 3.964 4.191 -0.227 19354 11272 1 16 . 1 1 134 134 THR C C 134 174.853 174.853 175.978 -1.125 19354 11273 1 16 . 1 1 134 134 THR CA C 134 63.694 63.694 63.548 0.146 19354 11274 1 16 . 1 1 134 134 THR CB C 134 68.841 68.841 69.022 -0.181 19354 11275 1 16 . 1 1 134 134 THR H H 134 8.067 8.067 8.253 -0.186 19354 11276 1 16 . 1 1 135 135 LEU N N 135 121.377 121.377 120.995 0.382 19354 11277 1 16 . 1 1 135 135 LEU HA H 135 3.964 3.964 4.390 -0.426 19354 11278 1 16 . 1 1 135 135 LEU C C 135 176.215 176.215 176.733 -0.518 19354 11279 1 16 . 1 1 135 135 LEU CA C 135 55.656 55.656 55.149 0.507 19354 11280 1 16 . 1 1 135 135 LEU CB C 135 42.291 42.291 42.488 -0.197 19354 11281 1 16 . 1 1 135 135 LEU H H 135 7.448 7.448 7.611 -0.163 19354 11282 1 16 . 1 1 136 136 PHE N N 136 117.704 117.704 118.113 -0.409 19354 11283 1 16 . 1 1 136 136 PHE HA H 136 5.202 5.202 4.877 0.325 19354 11284 1 16 . 1 1 136 136 PHE C C 136 179.412 179.412 174.917 4.495 19354 11285 1 16 . 1 1 136 136 PHE CA C 136 53.495 53.495 54.749 -1.254 19354 11286 1 16 . 1 1 136 136 PHE CB C 136 39.248 39.248 38.331 0.917 19354 11287 1 16 . 1 1 136 136 PHE H H 136 7.542 7.542 8.522 -0.980 19354 11288 1 16 . 1 1 137 137 PRO HA H 137 4.528 4.528 4.488 0.040 19354 11289 1 16 . 1 1 137 137 PRO CA C 137 62.949 62.949 64.105 -1.156 19354 11290 1 16 . 1 1 137 137 PRO CB C 137 32.242 32.242 32.388 -0.146 19354 11291 1 16 . 1 1 138 138 THR N N 138 114.025 114.025 110.951 3.074 19354 11292 1 16 . 1 1 138 138 THR HA H 138 4.324 4.324 3.918 0.406 19354 11293 1 16 . 1 1 138 138 THR C C 138 174.175 174.175 174.666 -0.491 19354 11294 1 16 . 1 1 138 138 THR CA C 138 61.863 61.863 62.898 -1.036 19354 11295 1 16 . 1 1 138 138 THR CB C 138 69.742 69.742 68.677 1.065 19354 11296 1 16 . 1 1 138 138 THR H H 138 8.452 8.452 8.078 0.374 19354 11297 1 17 . 1 1 13 13 GLY N N 13 110.400 110.400 109.378 1.022 19354 11298 1 17 . 1 1 13 13 GLY C C 13 173.560 173.560 171.614 1.946 19354 11299 1 17 . 1 1 13 13 GLY CA C 13 45.111 45.111 45.291 -0.180 19354 11300 1 17 . 1 1 13 13 GLY H H 13 8.335 8.335 7.763 0.572 19354 11301 1 17 . 1 1 14 14 LEU N N 14 121.222 121.222 121.497 -0.275 19354 11302 1 17 . 1 1 14 14 LEU HA H 14 4.378 4.378 4.781 -0.403 19354 11303 1 17 . 1 1 14 14 LEU C C 14 177.119 177.119 175.252 1.867 19354 11304 1 17 . 1 1 14 14 LEU CA C 14 54.838 54.838 54.585 0.253 19354 11305 1 17 . 1 1 14 14 LEU CB C 14 42.429 42.429 45.393 -2.964 19354 11306 1 17 . 1 1 14 14 LEU H H 14 7.915 7.915 8.094 -0.179 19354 11307 1 17 . 1 1 15 15 VAL N N 15 123.222 123.222 125.526 -2.304 19354 11308 1 17 . 1 1 15 15 VAL HA H 15 4.335 4.335 4.401 -0.066 19354 11309 1 17 . 1 1 15 15 VAL C C 15 175.602 175.602 174.936 0.666 19354 11310 1 17 . 1 1 15 15 VAL CA C 15 59.375 59.375 59.608 -0.233 19354 11311 1 17 . 1 1 15 15 VAL CB C 15 33.197 33.197 33.258 -0.061 19354 11312 1 17 . 1 1 15 15 VAL H H 15 8.297 8.297 8.575 -0.278 19354 11313 1 17 . 1 1 16 16 PRO HA H 16 4.379 4.379 4.459 -0.080 19354 11314 1 17 . 1 1 16 16 PRO CA C 16 62.925 62.925 64.063 -1.138 19354 11315 1 17 . 1 1 16 16 PRO CB C 16 32.043 32.043 31.945 0.098 19354 11316 1 17 . 1 1 17 17 ARG N N 17 122.742 122.742 117.225 5.517 19354 11317 1 17 . 1 1 17 17 ARG HA H 17 4.219 4.219 4.087 0.132 19354 11318 1 17 . 1 1 17 17 ARG C C 17 176.586 176.586 178.098 -1.512 19354 11319 1 17 . 1 1 17 17 ARG CA C 17 55.479 55.479 56.489 -1.010 19354 11320 1 17 . 1 1 17 17 ARG CB C 17 30.889 30.889 29.649 1.240 19354 11321 1 17 . 1 1 17 17 ARG H H 17 8.469 8.469 8.192 0.277 19354 11322 1 17 . 1 1 18 18 GLY N N 18 111.993 111.993 107.067 4.926 19354 11323 1 17 . 1 1 18 18 GLY C C 18 174.453 174.453 174.268 0.185 19354 11324 1 17 . 1 1 18 18 GLY CA C 18 45.670 45.670 45.798 -0.128 19354 11325 1 17 . 1 1 18 18 GLY H H 18 8.538 8.538 8.643 -0.105 19354 11326 1 17 . 1 1 19 19 SER HA H 19 4.318 4.318 4.463 -0.145 19354 11327 1 17 . 1 1 19 19 SER CA C 19 58.480 58.480 58.593 -0.113 19354 11328 1 17 . 1 1 19 19 SER CB C 19 63.535 63.535 64.277 -0.742 19354 11329 1 17 . 1 1 20 20 HIS N N 20 120.039 120.039 122.792 -2.753 19354 11330 1 17 . 1 1 20 20 HIS HA H 20 4.678 4.678 4.246 0.432 19354 11331 1 17 . 1 1 20 20 HIS C C 20 174.263 174.263 173.798 0.465 19354 11332 1 17 . 1 1 20 20 HIS CA C 20 55.889 55.889 57.382 -1.493 19354 11333 1 17 . 1 1 20 20 HIS CB C 20 32.027 32.027 28.523 3.504 19354 11334 1 17 . 1 1 20 20 HIS H H 20 8.344 8.344 8.927 -0.583 19354 11335 1 17 . 1 1 21 21 MET N N 21 120.453 120.453 116.371 4.082 19354 11336 1 17 . 1 1 21 21 MET HA H 21 4.676 4.676 4.757 -0.081 19354 11337 1 17 . 1 1 21 21 MET C C 21 174.808 174.808 174.500 0.308 19354 11338 1 17 . 1 1 21 21 MET CA C 21 54.232 54.232 56.952 -2.720 19354 11339 1 17 . 1 1 21 21 MET CB C 21 32.377 32.377 35.995 -3.618 19354 11340 1 17 . 1 1 21 21 MET H H 21 8.587 8.587 8.447 0.140 19354 11341 1 17 . 1 1 22 22 VAL N N 22 112.794 112.794 116.414 -3.620 19354 11342 1 17 . 1 1 22 22 VAL HA H 22 5.297 5.297 5.194 0.103 19354 11343 1 17 . 1 1 22 22 VAL C C 22 175.218 175.218 174.566 0.652 19354 11344 1 17 . 1 1 22 22 VAL CA C 22 57.885 57.885 59.318 -1.433 19354 11345 1 17 . 1 1 22 22 VAL CB C 22 35.895 35.895 35.283 0.612 19354 11346 1 17 . 1 1 22 22 VAL H H 22 7.805 7.805 7.575 0.230 19354 11347 1 17 . 1 1 23 23 ARG N N 23 117.854 117.854 121.079 -3.225 19354 11348 1 17 . 1 1 23 23 ARG HA H 23 4.578 4.578 4.629 -0.051 19354 11349 1 17 . 1 1 23 23 ARG C C 23 174.128 174.128 174.530 -0.402 19354 11350 1 17 . 1 1 23 23 ARG CA C 23 54.192 54.192 55.144 -0.952 19354 11351 1 17 . 1 1 23 23 ARG CB C 23 34.757 34.757 33.239 1.518 19354 11352 1 17 . 1 1 23 23 ARG H H 23 8.430 8.430 7.805 0.625 19354 11353 1 17 . 1 1 24 24 ARG N N 24 124.928 124.928 123.294 1.634 19354 11354 1 17 . 1 1 24 24 ARG HA H 24 4.619 4.619 4.449 0.170 19354 11355 1 17 . 1 1 24 24 ARG C C 24 176.265 176.265 175.906 0.359 19354 11356 1 17 . 1 1 24 24 ARG CA C 24 57.824 57.824 56.240 1.584 19354 11357 1 17 . 1 1 24 24 ARG CB C 24 29.913 29.913 27.953 1.960 19354 11358 1 17 . 1 1 24 24 ARG H H 24 8.569 8.569 8.619 -0.050 19354 11359 1 17 . 1 1 25 25 ALA N N 25 127.390 127.390 125.228 2.162 19354 11360 1 17 . 1 1 25 25 ALA HA H 25 4.379 4.379 4.433 -0.054 19354 11361 1 17 . 1 1 25 25 ALA C C 25 174.173 174.173 176.499 -2.326 19354 11362 1 17 . 1 1 25 25 ALA CA C 25 51.382 51.382 50.739 0.643 19354 11363 1 17 . 1 1 25 25 ALA CB C 25 23.050 23.050 21.418 1.632 19354 11364 1 17 . 1 1 25 25 ALA H H 25 8.082 8.082 8.040 0.042 19354 11365 1 17 . 1 1 26 26 ARG N N 26 116.820 116.820 118.539 -1.719 19354 11366 1 17 . 1 1 26 26 ARG HA H 26 4.692 4.692 4.425 0.267 19354 11367 1 17 . 1 1 26 26 ARG C C 26 177.847 177.847 174.977 2.870 19354 11368 1 17 . 1 1 26 26 ARG CA C 26 55.271 55.271 55.513 -0.242 19354 11369 1 17 . 1 1 26 26 ARG CB C 26 31.215 31.215 31.806 -0.591 19354 11370 1 17 . 1 1 26 26 ARG H H 26 8.133 8.133 8.440 -0.307 19354 11371 1 17 . 1 1 27 27 CYS N N 27 126.567 126.567 119.183 7.384 19354 11372 1 17 . 1 1 27 27 CYS HA H 27 5.732 5.732 4.903 0.829 19354 11373 1 17 . 1 1 27 27 CYS C C 27 175.288 175.288 173.330 1.958 19354 11374 1 17 . 1 1 27 27 CYS CA C 27 51.785 51.785 57.963 -6.178 19354 11375 1 17 . 1 1 27 27 CYS CB C 27 38.246 38.246 29.593 8.653 19354 11376 1 17 . 1 1 27 27 CYS H H 27 9.709 9.709 8.331 1.378 19354 11377 1 17 . 1 1 28 28 TYR N N 28 120.309 120.309 123.799 -3.490 19354 11378 1 17 . 1 1 28 28 TYR HA H 28 5.079 5.079 5.165 -0.086 19354 11379 1 17 . 1 1 28 28 TYR CA C 28 54.951 54.951 54.208 0.743 19354 11380 1 17 . 1 1 28 28 TYR CB C 28 39.807 39.807 38.909 0.898 19354 11381 1 17 . 1 1 28 28 TYR H H 28 8.870 8.870 8.982 -0.112 19354 11382 1 17 . 1 1 29 29 PRO HA H 29 4.836 4.836 4.776 0.060 19354 11383 1 17 . 1 1 29 29 PRO CA C 29 61.773 61.773 62.688 -0.915 19354 11384 1 17 . 1 1 29 29 PRO CB C 29 31.173 31.173 32.203 -1.030 19354 11385 1 17 . 1 1 30 30 THR N N 30 115.177 115.177 119.454 -4.277 19354 11386 1 17 . 1 1 30 30 THR HA H 30 4.253 4.253 4.320 -0.067 19354 11387 1 17 . 1 1 30 30 THR C C 30 173.688 173.688 175.641 -1.953 19354 11388 1 17 . 1 1 30 30 THR CA C 30 61.324 61.324 64.036 -2.712 19354 11389 1 17 . 1 1 30 30 THR CB C 30 70.191 70.191 69.236 0.955 19354 11390 1 17 . 1 1 30 30 THR H H 30 7.978 7.978 8.721 -0.743 19354 11391 1 17 . 1 1 31 31 SER N N 31 116.822 116.822 115.387 1.435 19354 11392 1 17 . 1 1 31 31 SER HA H 31 4.702 4.702 4.633 0.069 19354 11393 1 17 . 1 1 31 31 SER C C 31 175.079 175.079 174.852 0.227 19354 11394 1 17 . 1 1 31 31 SER CA C 31 57.057 57.057 56.849 0.208 19354 11395 1 17 . 1 1 31 31 SER CB C 31 66.020 66.020 64.680 1.340 19354 11396 1 17 . 1 1 31 31 SER H H 31 8.451 8.451 8.274 0.177 19354 11397 1 17 . 1 1 32 32 ASN N N 32 118.803 118.803 120.630 -1.827 19354 11398 1 17 . 1 1 32 32 ASN HA H 32 4.385 4.385 4.536 -0.151 19354 11399 1 17 . 1 1 32 32 ASN C C 32 175.705 175.705 175.599 0.106 19354 11400 1 17 . 1 1 32 32 ASN CA C 32 55.564 55.564 55.908 -0.344 19354 11401 1 17 . 1 1 32 32 ASN CB C 32 37.637 37.637 38.542 -0.905 19354 11402 1 17 . 1 1 32 32 ASN H H 32 8.802 8.802 8.749 0.053 19354 11403 1 17 . 1 1 33 33 ALA N N 33 118.571 118.571 121.226 -2.655 19354 11404 1 17 . 1 1 33 33 ALA HA H 33 4.262 4.262 4.406 -0.144 19354 11405 1 17 . 1 1 33 33 ALA C C 33 179.229 179.229 176.868 2.361 19354 11406 1 17 . 1 1 33 33 ALA CA C 33 53.087 53.087 53.119 -0.032 19354 11407 1 17 . 1 1 33 33 ALA CB C 33 19.563 19.563 19.739 -0.176 19354 11408 1 17 . 1 1 33 33 ALA H H 33 8.004 8.004 8.125 -0.121 19354 11409 1 17 . 1 1 34 34 THR N N 34 106.312 106.312 110.157 -3.845 19354 11410 1 17 . 1 1 34 34 THR HA H 34 4.581 4.581 4.286 0.295 19354 11411 1 17 . 1 1 34 34 THR C C 34 175.334 175.334 172.708 2.626 19354 11412 1 17 . 1 1 34 34 THR CA C 34 60.586 60.586 61.555 -0.969 19354 11413 1 17 . 1 1 34 34 THR CB C 34 70.195 70.195 70.198 -0.003 19354 11414 1 17 . 1 1 34 34 THR H H 34 7.551 7.551 7.435 0.116 19354 11415 1 17 . 1 1 35 35 ASN N N 35 122.599 122.599 121.116 1.483 19354 11416 1 17 . 1 1 35 35 ASN HA H 35 4.528 4.528 4.762 -0.234 19354 11417 1 17 . 1 1 35 35 ASN C C 35 174.221 174.221 174.380 -0.159 19354 11418 1 17 . 1 1 35 35 ASN CA C 35 52.790 52.790 53.545 -0.755 19354 11419 1 17 . 1 1 35 35 ASN CB C 35 36.768 36.768 39.654 -2.886 19354 11420 1 17 . 1 1 35 35 ASN H H 35 7.897 7.897 8.411 -0.514 19354 11421 1 17 . 1 1 36 36 THR N N 36 107.151 107.151 116.248 -9.097 19354 11422 1 17 . 1 1 36 36 THR HA H 36 4.979 4.979 4.432 0.547 19354 11423 1 17 . 1 1 36 36 THR C C 36 173.651 173.651 172.177 1.474 19354 11424 1 17 . 1 1 36 36 THR CA C 36 59.011 59.011 61.207 -2.196 19354 11425 1 17 . 1 1 36 36 THR CB C 36 72.745 72.745 71.587 1.158 19354 11426 1 17 . 1 1 36 36 THR H H 36 7.490 7.490 8.058 -0.568 19354 11427 1 17 . 1 1 37 37 CYS N N 37 118.809 118.809 123.272 -4.463 19354 11428 1 17 . 1 1 37 37 CYS HA H 37 4.095 4.095 4.578 -0.483 19354 11429 1 17 . 1 1 37 37 CYS C C 37 173.688 173.688 173.421 0.267 19354 11430 1 17 . 1 1 37 37 CYS CA C 37 55.634 55.634 58.562 -2.929 19354 11431 1 17 . 1 1 37 37 CYS CB C 37 45.854 45.854 27.616 18.238 19354 11432 1 17 . 1 1 37 37 CYS H H 37 8.632 8.632 8.312 0.320 19354 11433 1 17 . 1 1 38 38 PHE N N 38 128.190 128.190 124.364 3.826 19354 11434 1 17 . 1 1 38 38 PHE HA H 38 4.275 4.275 4.227 0.048 19354 11435 1 17 . 1 1 38 38 PHE C C 38 176.261 176.261 176.816 -0.555 19354 11436 1 17 . 1 1 38 38 PHE CA C 38 59.067 59.067 57.658 1.409 19354 11437 1 17 . 1 1 38 38 PHE CB C 38 36.576 36.576 37.287 -0.711 19354 11438 1 17 . 1 1 38 38 PHE H H 38 9.018 9.018 8.893 0.125 19354 11439 1 17 . 1 1 39 39 GLY N N 39 104.504 104.504 107.479 -2.975 19354 11440 1 17 . 1 1 39 39 GLY C C 39 174.173 174.173 174.732 -0.559 19354 11441 1 17 . 1 1 39 39 GLY CA C 39 45.112 45.112 45.366 -0.254 19354 11442 1 17 . 1 1 39 39 GLY H H 39 8.566 8.566 8.551 0.015 19354 11443 1 17 . 1 1 40 40 SER N N 40 116.201 116.201 121.631 -5.430 19354 11444 1 17 . 1 1 40 40 SER HA H 40 4.529 4.529 4.373 0.156 19354 11445 1 17 . 1 1 40 40 SER C C 40 173.873 173.873 174.338 -0.465 19354 11446 1 17 . 1 1 40 40 SER CA C 40 57.436 57.436 58.971 -1.535 19354 11447 1 17 . 1 1 40 40 SER CB C 40 63.718 63.718 63.337 0.381 19354 11448 1 17 . 1 1 40 40 SER H H 40 7.533 7.533 8.129 -0.596 19354 11449 1 17 . 1 1 41 41 LYS N N 41 127.456 127.456 126.611 0.845 19354 11450 1 17 . 1 1 41 41 LYS HA H 41 4.056 4.056 4.114 -0.058 19354 11451 1 17 . 1 1 41 41 LYS C C 41 176.632 176.632 175.724 0.908 19354 11452 1 17 . 1 1 41 41 LYS CA C 41 56.409 56.409 56.134 0.275 19354 11453 1 17 . 1 1 41 41 LYS CB C 41 32.169 32.169 32.952 -0.783 19354 11454 1 17 . 1 1 41 41 LYS H H 41 8.768 8.768 8.450 0.318 19354 11455 1 17 . 1 1 42 42 LEU N N 42 128.016 128.016 125.230 2.786 19354 11456 1 17 . 1 1 42 42 LEU HA H 42 4.120 4.120 4.253 -0.133 19354 11457 1 17 . 1 1 42 42 LEU CA C 42 52.010 52.010 51.151 0.859 19354 11458 1 17 . 1 1 42 42 LEU CB C 42 40.680 40.680 39.975 0.705 19354 11459 1 17 . 1 1 42 42 LEU H H 42 8.304 8.304 8.117 0.187 19354 11460 1 17 . 1 1 43 43 PRO HA H 43 4.453 4.453 4.293 0.160 19354 11461 1 17 . 1 1 43 43 PRO CA C 43 62.807 62.807 63.913 -1.107 19354 11462 1 17 . 1 1 43 43 PRO CB C 43 29.625 29.625 31.843 -2.218 19354 11463 1 17 . 1 1 44 44 TYR N N 44 116.871 116.871 113.856 3.015 19354 11464 1 17 . 1 1 44 44 TYR HA H 44 4.689 4.689 4.825 -0.136 19354 11465 1 17 . 1 1 44 44 TYR C C 44 175.239 175.239 175.308 -0.069 19354 11466 1 17 . 1 1 44 44 TYR CA C 44 53.718 53.718 54.824 -1.106 19354 11467 1 17 . 1 1 44 44 TYR CB C 44 38.637 38.637 40.356 -1.719 19354 11468 1 17 . 1 1 44 44 TYR H H 44 6.311 6.311 6.630 -0.319 19354 11469 1 17 . 1 1 45 45 GLU N N 45 118.221 118.221 119.907 -1.686 19354 11470 1 17 . 1 1 45 45 GLU HA H 45 4.138 4.138 4.579 -0.441 19354 11471 1 17 . 1 1 45 45 GLU C C 45 176.282 176.282 174.954 1.328 19354 11472 1 17 . 1 1 45 45 GLU CA C 45 57.502 57.502 56.016 1.486 19354 11473 1 17 . 1 1 45 45 GLU CB C 45 31.105 31.105 30.728 0.377 19354 11474 1 17 . 1 1 45 45 GLU H H 45 8.591 8.591 8.751 -0.160 19354 11475 1 17 . 1 1 46 46 LEU N N 46 119.826 119.826 119.197 0.629 19354 11476 1 17 . 1 1 46 46 LEU HA H 46 4.974 4.974 5.306 -0.332 19354 11477 1 17 . 1 1 46 46 LEU C C 46 175.420 175.420 175.937 -0.517 19354 11478 1 17 . 1 1 46 46 LEU CA C 46 53.202 53.202 53.308 -0.106 19354 11479 1 17 . 1 1 46 46 LEU CB C 46 43.587 43.587 45.474 -1.887 19354 11480 1 17 . 1 1 46 46 LEU H H 46 8.176 8.176 7.582 0.594 19354 11481 1 17 . 1 1 47 47 SER N N 47 111.561 111.561 113.089 -1.528 19354 11482 1 17 . 1 1 47 47 SER HA H 47 5.020 5.020 4.561 0.459 19354 11483 1 17 . 1 1 47 47 SER C C 47 173.833 173.833 172.297 1.536 19354 11484 1 17 . 1 1 47 47 SER CA C 47 53.006 53.006 56.903 -3.897 19354 11485 1 17 . 1 1 47 47 SER CB C 47 64.691 64.691 65.390 -0.699 19354 11486 1 17 . 1 1 47 47 SER H H 47 7.924 7.924 8.417 -0.493 19354 11487 1 17 . 1 1 48 48 SER N N 48 111.459 111.459 120.359 -8.900 19354 11488 1 17 . 1 1 48 48 SER HA H 48 4.841 4.841 4.831 0.010 19354 11489 1 17 . 1 1 48 48 SER C C 48 175.602 175.602 175.098 0.504 19354 11490 1 17 . 1 1 48 48 SER CA C 48 57.388 57.388 56.093 1.295 19354 11491 1 17 . 1 1 48 48 SER CB C 48 66.333 66.333 63.151 3.182 19354 11492 1 17 . 1 1 48 48 SER H H 48 8.628 8.628 8.868 -0.240 19354 11493 1 17 . 1 1 49 49 LEU N N 49 128.995 128.995 131.145 -2.150 19354 11494 1 17 . 1 1 49 49 LEU HA H 49 4.383 4.383 4.405 -0.022 19354 11495 1 17 . 1 1 49 49 LEU C C 49 179.571 179.571 178.181 1.390 19354 11496 1 17 . 1 1 49 49 LEU CA C 49 56.032 56.032 57.335 -1.303 19354 11497 1 17 . 1 1 49 49 LEU CB C 49 41.904 41.904 41.651 0.253 19354 11498 1 17 . 1 1 49 49 LEU H H 49 9.519 9.519 9.346 0.173 19354 11499 1 17 . 1 1 50 50 ASP N N 50 115.013 115.013 119.395 -4.382 19354 11500 1 17 . 1 1 50 50 ASP HA H 50 4.168 4.168 4.365 -0.197 19354 11501 1 17 . 1 1 50 50 ASP C C 50 176.486 176.486 177.407 -0.921 19354 11502 1 17 . 1 1 50 50 ASP CA C 50 58.352 58.352 56.558 1.794 19354 11503 1 17 . 1 1 50 50 ASP CB C 50 41.259 41.259 40.683 0.576 19354 11504 1 17 . 1 1 50 50 ASP H H 50 8.191 8.191 7.992 0.199 19354 11505 1 17 . 1 1 51 51 LEU N N 51 118.298 118.298 119.030 -0.732 19354 11506 1 17 . 1 1 51 51 LEU HA H 51 4.329 4.329 4.185 0.144 19354 11507 1 17 . 1 1 51 51 LEU C C 51 175.556 175.556 177.230 -1.674 19354 11508 1 17 . 1 1 51 51 LEU CA C 51 54.483 54.483 56.441 -1.958 19354 11509 1 17 . 1 1 51 51 LEU CB C 51 39.219 39.219 41.700 -2.481 19354 11510 1 17 . 1 1 51 51 LEU H H 51 8.732 8.732 7.816 0.916 19354 11511 1 17 . 1 1 52 52 THR N N 52 106.427 106.427 109.796 -3.369 19354 11512 1 17 . 1 1 52 52 THR HA H 52 2.784 2.784 4.508 -1.724 19354 11513 1 17 . 1 1 52 52 THR C C 52 172.812 172.812 173.821 -1.009 19354 11514 1 17 . 1 1 52 52 THR CA C 52 58.759 58.759 60.380 -1.621 19354 11515 1 17 . 1 1 52 52 THR CB C 52 71.985 71.985 71.059 0.926 19354 11516 1 17 . 1 1 52 52 THR H H 52 7.574 7.574 7.545 0.029 19354 11517 1 17 . 1 1 53 53 ASP HA H 53 4.398 4.398 4.733 -0.335 19354 11518 1 17 . 1 1 53 53 ASP CA C 53 52.757 52.757 52.991 -0.234 19354 11519 1 17 . 1 1 53 53 ASP CB C 53 40.737 40.737 39.458 1.280 19354 11520 1 17 . 1 1 54 54 PHE N N 54 117.929 117.929 117.110 0.819 19354 11521 1 17 . 1 1 54 54 PHE HA H 54 4.498 4.498 4.700 -0.202 19354 11522 1 17 . 1 1 54 54 PHE C C 54 176.169 176.169 175.090 1.079 19354 11523 1 17 . 1 1 54 54 PHE CA C 54 57.477 57.477 56.285 1.192 19354 11524 1 17 . 1 1 54 54 PHE CB C 54 39.270 39.270 41.087 -1.817 19354 11525 1 17 . 1 1 54 54 PHE H H 54 7.575 7.575 7.261 0.314 19354 11526 1 17 . 1 1 55 55 HIS N N 55 115.333 115.333 117.153 -1.820 19354 11527 1 17 . 1 1 55 55 HIS HA H 55 4.585 4.585 4.849 -0.264 19354 11528 1 17 . 1 1 55 55 HIS C C 55 175.080 175.080 174.137 0.943 19354 11529 1 17 . 1 1 55 55 HIS CA C 55 56.439 56.439 55.946 0.493 19354 11530 1 17 . 1 1 55 55 HIS CB C 55 31.104 31.104 30.961 0.143 19354 11531 1 17 . 1 1 55 55 HIS H H 55 9.230 9.230 8.795 0.435 19354 11532 1 17 . 1 1 56 56 THR N N 56 106.891 106.891 111.207 -4.316 19354 11533 1 17 . 1 1 56 56 THR HA H 56 4.528 4.528 4.280 0.248 19354 11534 1 17 . 1 1 56 56 THR C C 56 173.696 173.696 174.137 -0.441 19354 11535 1 17 . 1 1 56 56 THR CA C 56 58.725 58.725 60.925 -2.200 19354 11536 1 17 . 1 1 56 56 THR CB C 56 72.851 72.851 69.918 2.933 19354 11537 1 17 . 1 1 56 56 THR H H 56 7.343 7.343 7.398 -0.055 19354 11538 1 17 . 1 1 57 57 GLU N N 57 121.798 121.798 124.296 -2.498 19354 11539 1 17 . 1 1 57 57 GLU HA H 57 3.611 3.611 3.857 -0.246 19354 11540 1 17 . 1 1 57 57 GLU C C 57 178.417 178.417 178.012 0.405 19354 11541 1 17 . 1 1 57 57 GLU CA C 57 59.380 59.380 60.183 -0.803 19354 11542 1 17 . 1 1 57 57 GLU CB C 57 29.873 29.873 29.457 0.416 19354 11543 1 17 . 1 1 57 57 GLU H H 57 8.841 8.841 8.718 0.123 19354 11544 1 17 . 1 1 58 58 LYS N N 58 121.091 121.091 118.543 2.548 19354 11545 1 17 . 1 1 58 58 LYS HA H 58 3.903 3.903 3.870 0.033 19354 11546 1 17 . 1 1 58 58 LYS C C 58 177.745 177.745 178.720 -0.975 19354 11547 1 17 . 1 1 58 58 LYS CA C 58 59.470 59.470 59.251 0.219 19354 11548 1 17 . 1 1 58 58 LYS CB C 58 32.130 32.130 31.829 0.301 19354 11549 1 17 . 1 1 58 58 LYS H H 58 8.307 8.307 7.661 0.646 19354 11550 1 17 . 1 1 59 59 GLU N N 59 117.790 117.790 119.438 -1.648 19354 11551 1 17 . 1 1 59 59 GLU HA H 59 3.852 3.852 3.937 -0.085 19354 11552 1 17 . 1 1 59 59 GLU C C 59 178.051 178.051 178.144 -0.093 19354 11553 1 17 . 1 1 59 59 GLU CA C 59 59.094 59.094 59.253 -0.159 19354 11554 1 17 . 1 1 59 59 GLU CB C 59 30.468 30.468 29.178 1.290 19354 11555 1 17 . 1 1 59 59 GLU H H 59 7.537 7.537 7.512 0.025 19354 11556 1 17 . 1 1 60 60 LEU N N 60 118.763 118.763 120.404 -1.641 19354 11557 1 17 . 1 1 60 60 LEU HA H 60 3.211 3.211 3.038 0.173 19354 11558 1 17 . 1 1 60 60 LEU C C 60 178.070 178.070 178.239 -0.169 19354 11559 1 17 . 1 1 60 60 LEU CA C 60 59.007 59.007 57.487 1.520 19354 11560 1 17 . 1 1 60 60 LEU CB C 60 42.750 42.750 41.958 0.792 19354 11561 1 17 . 1 1 60 60 LEU H H 60 7.321 7.321 7.323 -0.002 19354 11562 1 17 . 1 1 61 61 ASN N N 61 116.987 116.987 116.309 0.678 19354 11563 1 17 . 1 1 61 61 ASN HA H 61 4.127 4.127 4.256 -0.129 19354 11564 1 17 . 1 1 61 61 ASN C C 61 177.689 177.689 176.894 0.795 19354 11565 1 17 . 1 1 61 61 ASN CA C 61 57.310 57.310 56.172 1.137 19354 11566 1 17 . 1 1 61 61 ASN CB C 61 39.288 39.288 38.457 0.831 19354 11567 1 17 . 1 1 61 61 ASN H H 61 8.335 8.335 8.001 0.334 19354 11568 1 17 . 1 1 62 62 ASP N N 62 120.935 120.935 119.957 0.978 19354 11569 1 17 . 1 1 62 62 ASP HA H 62 4.306 4.306 4.351 -0.045 19354 11570 1 17 . 1 1 62 62 ASP C C 62 178.868 178.868 178.238 0.630 19354 11571 1 17 . 1 1 62 62 ASP CA C 62 57.510 57.510 56.716 0.794 19354 11572 1 17 . 1 1 62 62 ASP CB C 62 39.596 39.596 41.217 -1.621 19354 11573 1 17 . 1 1 62 62 ASP H H 62 8.376 8.376 7.766 0.610 19354 11574 1 17 . 1 1 63 63 LYS N N 63 119.626 119.626 120.640 -1.014 19354 11575 1 17 . 1 1 63 63 LYS HA H 63 4.168 4.168 4.045 0.123 19354 11576 1 17 . 1 1 63 63 LYS C C 63 179.458 179.458 178.796 0.662 19354 11577 1 17 . 1 1 63 63 LYS CA C 63 55.698 55.698 58.986 -3.288 19354 11578 1 17 . 1 1 63 63 LYS CB C 63 31.082 31.082 32.169 -1.087 19354 11579 1 17 . 1 1 63 63 LYS H H 63 7.748 7.748 7.749 -0.001 19354 11580 1 17 . 1 1 64 64 LEU N N 64 120.255 120.255 120.213 0.042 19354 11581 1 17 . 1 1 64 64 LEU HA H 64 3.688 3.688 4.006 -0.318 19354 11582 1 17 . 1 1 64 64 LEU C C 64 178.732 178.732 178.500 0.232 19354 11583 1 17 . 1 1 64 64 LEU CA C 64 57.722 57.722 58.547 -0.825 19354 11584 1 17 . 1 1 64 64 LEU CB C 64 41.236 41.236 41.666 -0.430 19354 11585 1 17 . 1 1 64 64 LEU H H 64 8.221 8.221 7.592 0.629 19354 11586 1 17 . 1 1 65 65 ASN N N 65 113.630 113.630 116.976 -3.346 19354 11587 1 17 . 1 1 65 65 ASN HA H 65 4.580 4.580 4.121 0.459 19354 11588 1 17 . 1 1 65 65 ASN C C 65 178.394 178.394 177.734 0.660 19354 11589 1 17 . 1 1 65 65 ASN CA C 65 55.628 55.628 56.178 -0.550 19354 11590 1 17 . 1 1 65 65 ASN CB C 65 38.269 38.269 37.670 0.598 19354 11591 1 17 . 1 1 65 65 ASN H H 65 7.482 7.482 7.851 -0.369 19354 11592 1 17 . 1 1 66 66 ASP N N 66 120.683 120.683 119.992 0.691 19354 11593 1 17 . 1 1 66 66 ASP HA H 66 4.482 4.482 4.409 0.073 19354 11594 1 17 . 1 1 66 66 ASP C C 66 179.095 179.095 178.832 0.263 19354 11595 1 17 . 1 1 66 66 ASP CA C 66 56.623 56.623 57.272 -0.649 19354 11596 1 17 . 1 1 66 66 ASP CB C 66 39.883 39.883 41.031 -1.148 19354 11597 1 17 . 1 1 66 66 ASP H H 66 7.834 7.834 8.110 -0.276 19354 11598 1 17 . 1 1 67 67 TYR N N 67 116.512 116.512 120.831 -4.319 19354 11599 1 17 . 1 1 67 67 TYR HA H 67 3.984 3.984 4.335 -0.351 19354 11600 1 17 . 1 1 67 67 TYR C C 67 176.554 176.554 177.955 -1.401 19354 11601 1 17 . 1 1 67 67 TYR CA C 67 62.142 62.142 60.748 1.395 19354 11602 1 17 . 1 1 67 67 TYR CB C 67 37.436 37.436 38.274 -0.838 19354 11603 1 17 . 1 1 67 67 TYR H H 67 8.132 8.132 7.756 0.376 19354 11604 1 17 . 1 1 68 68 TYR N N 68 118.786 118.786 120.429 -1.643 19354 11605 1 17 . 1 1 68 68 TYR HA H 68 3.632 3.632 3.141 0.491 19354 11606 1 17 . 1 1 68 68 TYR C C 68 177.915 177.915 177.639 0.276 19354 11607 1 17 . 1 1 68 68 TYR CA C 68 61.395 61.395 61.410 -0.015 19354 11608 1 17 . 1 1 68 68 TYR CB C 68 37.345 37.345 37.160 0.185 19354 11609 1 17 . 1 1 68 68 TYR H H 68 7.558 7.558 8.352 -0.794 19354 11610 1 17 . 1 1 69 69 ALA N N 69 120.715 120.715 122.028 -1.313 19354 11611 1 17 . 1 1 69 69 ALA HA H 69 3.935 3.935 3.878 0.057 19354 11612 1 17 . 1 1 69 69 ALA C C 69 179.390 179.390 179.275 0.115 19354 11613 1 17 . 1 1 69 69 ALA CA C 69 54.015 54.015 54.594 -0.579 19354 11614 1 17 . 1 1 69 69 ALA CB C 69 18.529 18.529 17.735 0.793 19354 11615 1 17 . 1 1 69 69 ALA H H 69 7.453 7.453 7.607 -0.154 19354 11616 1 17 . 1 1 70 70 LEU N N 70 117.212 117.212 119.211 -1.999 19354 11617 1 17 . 1 1 70 70 LEU HA H 70 3.765 3.765 3.900 -0.135 19354 11618 1 17 . 1 1 70 70 LEU C C 70 177.280 177.280 178.010 -0.730 19354 11619 1 17 . 1 1 70 70 LEU CA C 70 56.634 56.634 56.924 -0.290 19354 11620 1 17 . 1 1 70 70 LEU CB C 70 41.045 41.045 41.790 -0.745 19354 11621 1 17 . 1 1 70 70 LEU H H 70 7.764 7.764 8.083 -0.319 19354 11622 1 17 . 1 1 71 71 LYS N N 71 118.756 118.756 118.788 -0.032 19354 11623 1 17 . 1 1 71 71 LYS HA H 71 3.039 3.039 3.462 -0.423 19354 11624 1 17 . 1 1 71 71 LYS C C 71 177.121 177.121 177.786 -0.665 19354 11625 1 17 . 1 1 71 71 LYS CA C 71 58.865 58.865 58.700 0.165 19354 11626 1 17 . 1 1 71 71 LYS CB C 71 31.247 31.247 31.015 0.233 19354 11627 1 17 . 1 1 71 71 LYS H H 71 7.001 7.001 7.897 -0.896 19354 11628 1 17 . 1 1 72 72 HIS N N 72 113.331 113.331 117.936 -4.605 19354 11629 1 17 . 1 1 72 72 HIS HA H 72 4.304 4.304 4.241 0.063 19354 11630 1 17 . 1 1 72 72 HIS C C 72 174.232 174.232 175.782 -1.550 19354 11631 1 17 . 1 1 72 72 HIS CA C 72 57.245 57.245 57.528 -0.283 19354 11632 1 17 . 1 1 72 72 HIS CB C 72 30.221 30.221 30.338 -0.117 19354 11633 1 17 . 1 1 72 72 HIS H H 72 6.973 6.973 7.520 -0.547 19354 11634 1 17 . 1 1 73 73 VAL N N 73 121.486 121.486 120.157 1.329 19354 11635 1 17 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.423 0.108 19354 11636 1 17 . 1 1 73 73 VAL CA C 73 59.159 59.159 59.385 -0.226 19354 11637 1 17 . 1 1 73 73 VAL CB C 73 30.604 30.604 33.405 -2.801 19354 11638 1 17 . 1 1 73 73 VAL H H 73 7.821 7.821 7.921 -0.100 19354 11639 1 17 . 1 1 74 74 PRO HA H 74 4.070 4.070 4.668 -0.598 19354 11640 1 17 . 1 1 74 74 PRO CA C 74 66.637 66.637 64.960 1.677 19354 11641 1 17 . 1 1 74 74 PRO CB C 74 32.212 32.212 32.086 0.126 19354 11642 1 17 . 1 1 75 75 LYS N N 75 116.832 116.832 119.310 -2.478 19354 11643 1 17 . 1 1 75 75 LYS HA H 75 4.099 4.099 4.170 -0.071 19354 11644 1 17 . 1 1 75 75 LYS C C 75 180.048 180.048 178.185 1.863 19354 11645 1 17 . 1 1 75 75 LYS CA C 75 59.398 59.398 58.855 0.543 19354 11646 1 17 . 1 1 75 75 LYS CB C 75 31.296 31.296 31.544 -0.248 19354 11647 1 17 . 1 1 75 75 LYS H H 75 9.234 9.234 8.718 0.516 19354 11648 1 17 . 1 1 76 76 CYS N N 76 116.333 116.333 118.717 -2.384 19354 11649 1 17 . 1 1 76 76 CYS HA H 76 4.320 4.320 4.715 -0.395 19354 11650 1 17 . 1 1 76 76 CYS C C 76 175.012 175.012 176.568 -1.556 19354 11651 1 17 . 1 1 76 76 CYS CA C 76 58.297 58.297 59.621 -1.324 19354 11652 1 17 . 1 1 76 76 CYS CB C 76 38.803 38.803 27.537 11.266 19354 11653 1 17 . 1 1 76 76 CYS H H 76 7.496 7.496 7.881 -0.385 19354 11654 1 17 . 1 1 77 77 TRP N N 77 119.987 119.987 122.888 -2.901 19354 11655 1 17 . 1 1 77 77 TRP HA H 77 4.452 4.452 4.254 0.198 19354 11656 1 17 . 1 1 77 77 TRP C C 77 177.462 177.462 177.856 -0.394 19354 11657 1 17 . 1 1 77 77 TRP CA C 77 58.821 58.821 59.912 -1.091 19354 11658 1 17 . 1 1 77 77 TRP CB C 77 30.425 30.425 29.210 1.215 19354 11659 1 17 . 1 1 77 77 TRP H H 77 8.254 8.254 8.519 -0.265 19354 11660 1 17 . 1 1 78 78 ALA N N 78 116.093 116.093 119.450 -3.357 19354 11661 1 17 . 1 1 78 78 ALA HA H 78 3.736 3.736 3.421 0.315 19354 11662 1 17 . 1 1 78 78 ALA C C 78 178.845 178.845 178.718 0.127 19354 11663 1 17 . 1 1 78 78 ALA CA C 78 54.188 54.188 53.837 0.351 19354 11664 1 17 . 1 1 78 78 ALA CB C 78 18.323 18.323 17.724 0.599 19354 11665 1 17 . 1 1 78 78 ALA H H 78 7.968 7.968 7.792 0.176 19354 11666 1 17 . 1 1 79 79 ALA N N 79 116.351 116.351 120.436 -4.085 19354 11667 1 17 . 1 1 79 79 ALA HA H 79 4.147 4.147 4.194 -0.047 19354 11668 1 17 . 1 1 79 79 ALA C C 79 178.414 178.414 177.921 0.493 19354 11669 1 17 . 1 1 79 79 ALA CA C 79 53.243 53.243 54.012 -0.769 19354 11670 1 17 . 1 1 79 79 ALA CB C 79 19.832 19.832 19.251 0.581 19354 11671 1 17 . 1 1 79 79 ALA H H 79 6.929 6.929 7.316 -0.387 19354 11672 1 17 . 1 1 80 80 ILE N N 80 115.150 115.150 117.507 -2.357 19354 11673 1 17 . 1 1 80 80 ILE HA H 80 4.218 4.218 4.247 -0.029 19354 11674 1 17 . 1 1 80 80 ILE C C 80 176.350 176.350 176.341 0.009 19354 11675 1 17 . 1 1 80 80 ILE CA C 80 62.069 62.069 60.067 2.002 19354 11676 1 17 . 1 1 80 80 ILE CB C 80 39.375 39.375 38.086 1.289 19354 11677 1 17 . 1 1 80 80 ILE H H 80 8.695 8.695 7.567 1.128 19354 11678 1 17 . 1 1 81 81 GLN N N 81 122.564 122.564 121.455 1.109 19354 11679 1 17 . 1 1 81 81 GLN HA H 81 3.332 3.332 4.013 -0.681 19354 11680 1 17 . 1 1 81 81 GLN C C 81 173.470 173.470 175.454 -1.984 19354 11681 1 17 . 1 1 81 81 GLN CA C 81 61.829 61.829 61.187 0.642 19354 11682 1 17 . 1 1 81 81 GLN CB C 81 25.973 25.973 26.907 -0.934 19354 11683 1 17 . 1 1 81 81 GLN H H 81 7.315 7.315 7.380 -0.065 19354 11684 1 17 . 1 1 82 82 PRO HA H 82 4.076 4.076 4.332 -0.256 19354 11685 1 17 . 1 1 82 82 PRO CA C 82 65.894 65.894 64.841 1.053 19354 11686 1 17 . 1 1 82 82 PRO CB C 82 30.481 30.481 31.715 -1.234 19354 11687 1 17 . 1 1 83 83 PHE N N 83 119.137 119.137 118.270 0.867 19354 11688 1 17 . 1 1 83 83 PHE HA H 83 4.289 4.289 4.439 -0.150 19354 11689 1 17 . 1 1 83 83 PHE C C 83 175.919 175.919 176.172 -0.253 19354 11690 1 17 . 1 1 83 83 PHE CA C 83 59.712 59.712 56.863 2.849 19354 11691 1 17 . 1 1 83 83 PHE CB C 83 39.329 39.329 38.913 0.416 19354 11692 1 17 . 1 1 83 83 PHE H H 83 6.892 6.892 7.949 -1.057 19354 11693 1 17 . 1 1 84 84 LEU N N 84 116.693 116.693 119.885 -3.192 19354 11694 1 17 . 1 1 84 84 LEU HA H 84 3.611 3.611 3.487 0.124 19354 11695 1 17 . 1 1 84 84 LEU C C 84 180.297 180.297 177.539 2.758 19354 11696 1 17 . 1 1 84 84 LEU CA C 84 57.952 57.952 57.451 0.501 19354 11697 1 17 . 1 1 84 84 LEU CB C 84 41.645 41.645 41.088 0.557 19354 11698 1 17 . 1 1 84 84 LEU H H 84 8.589 8.589 8.019 0.570 19354 11699 1 17 . 1 1 85 85 CYS N N 85 115.085 115.085 114.863 0.222 19354 11700 1 17 . 1 1 85 85 CYS HA H 85 4.127 4.127 4.334 -0.207 19354 11701 1 17 . 1 1 85 85 CYS C C 85 175.556 175.556 176.290 -0.734 19354 11702 1 17 . 1 1 85 85 CYS CA C 85 57.678 57.678 60.087 -2.409 19354 11703 1 17 . 1 1 85 85 CYS CB C 85 39.396 39.396 27.268 12.128 19354 11704 1 17 . 1 1 85 85 CYS H H 85 8.001 8.001 7.408 0.593 19354 11705 1 17 . 1 1 86 86 ALA N N 86 121.743 121.743 121.914 -0.171 19354 11706 1 17 . 1 1 86 86 ALA HA H 86 3.922 3.922 4.341 -0.419 19354 11707 1 17 . 1 1 86 86 ALA C C 86 177.745 177.745 177.223 0.522 19354 11708 1 17 . 1 1 86 86 ALA CA C 86 54.306 54.306 53.763 0.543 19354 11709 1 17 . 1 1 86 86 ALA CB C 86 18.778 18.778 18.491 0.287 19354 11710 1 17 . 1 1 86 86 ALA H H 86 7.671 7.671 7.623 0.048 19354 11711 1 17 . 1 1 87 87 VAL N N 87 115.667 115.667 116.469 -0.802 19354 11712 1 17 . 1 1 87 87 VAL HA H 87 3.735 3.735 3.634 0.101 19354 11713 1 17 . 1 1 87 87 VAL C C 87 175.806 175.806 175.193 0.613 19354 11714 1 17 . 1 1 87 87 VAL CA C 87 64.622 64.622 62.743 1.879 19354 11715 1 17 . 1 1 87 87 VAL CB C 87 32.936 32.936 31.670 1.266 19354 11716 1 17 . 1 1 87 87 VAL H H 87 7.460 7.460 7.195 0.265 19354 11717 1 17 . 1 1 88 88 PHE N N 88 115.306 115.306 116.701 -1.395 19354 11718 1 17 . 1 1 88 88 PHE HA H 88 4.048 4.048 4.636 -0.588 19354 11719 1 17 . 1 1 88 88 PHE C C 88 176.192 176.192 175.231 0.961 19354 11720 1 17 . 1 1 88 88 PHE CA C 88 60.420 60.420 58.216 2.204 19354 11721 1 17 . 1 1 88 88 PHE CB C 88 40.182 40.182 40.477 -0.295 19354 11722 1 17 . 1 1 88 88 PHE H H 88 8.930 8.930 7.021 1.909 19354 11723 1 17 . 1 1 89 89 LYS N N 89 115.470 115.470 119.342 -3.872 19354 11724 1 17 . 1 1 89 89 LYS HA H 89 4.816 4.816 4.802 0.014 19354 11725 1 17 . 1 1 89 89 LYS C C 89 184.176 184.176 174.034 10.142 19354 11726 1 17 . 1 1 89 89 LYS CA C 89 53.428 53.428 53.521 -0.093 19354 11727 1 17 . 1 1 89 89 LYS CB C 89 33.274 33.274 32.410 0.864 19354 11728 1 17 . 1 1 89 89 LYS H H 89 7.802 7.802 7.648 0.154 19354 11729 1 17 . 1 1 90 90 PRO HA H 90 4.250 4.250 4.266 -0.016 19354 11730 1 17 . 1 1 90 90 PRO CA C 90 62.682 62.682 62.477 0.205 19354 11731 1 17 . 1 1 90 90 PRO CB C 90 32.358 32.358 32.498 -0.140 19354 11732 1 17 . 1 1 91 91 LYS N N 91 122.391 122.391 122.331 0.060 19354 11733 1 17 . 1 1 91 91 LYS HA H 91 3.039 3.039 2.836 0.203 19354 11734 1 17 . 1 1 91 91 LYS C C 91 173.356 173.356 175.258 -1.902 19354 11735 1 17 . 1 1 91 91 LYS CA C 91 58.027 58.027 56.079 1.948 19354 11736 1 17 . 1 1 91 91 LYS CB C 91 31.285 31.285 31.685 -0.400 19354 11737 1 17 . 1 1 91 91 LYS H H 91 8.537 8.537 8.253 0.284 19354 11738 1 17 . 1 1 92 92 CYS N N 92 127.562 127.562 126.857 0.705 19354 11739 1 17 . 1 1 92 92 CYS HA H 92 5.391 5.391 4.760 0.631 19354 11740 1 17 . 1 1 92 92 CYS C C 92 171.655 171.655 173.571 -1.916 19354 11741 1 17 . 1 1 92 92 CYS CA C 92 53.804 53.804 57.496 -3.692 19354 11742 1 17 . 1 1 92 92 CYS CB C 92 41.219 41.219 26.867 14.352 19354 11743 1 17 . 1 1 92 92 CYS H H 92 7.037 7.037 8.054 -1.017 19354 11744 1 17 . 1 1 93 93 GLU N N 93 124.483 124.483 127.564 -3.081 19354 11745 1 17 . 1 1 93 93 GLU HA H 93 4.492 4.492 4.692 -0.200 19354 11746 1 17 . 1 1 93 93 GLU C C 93 173.371 173.371 174.716 -1.345 19354 11747 1 17 . 1 1 93 93 GLU CA C 93 54.874 54.874 54.336 0.538 19354 11748 1 17 . 1 1 93 93 GLU CB C 93 34.630 34.630 32.308 2.322 19354 11749 1 17 . 1 1 93 93 GLU H H 93 9.401 9.401 7.906 1.495 19354 11750 1 17 . 1 1 94 94 LYS N N 94 122.694 122.694 120.497 2.197 19354 11751 1 17 . 1 1 94 94 LYS HA H 94 4.581 4.581 4.707 -0.126 19354 11752 1 17 . 1 1 94 94 LYS C C 94 176.509 176.509 176.424 0.085 19354 11753 1 17 . 1 1 94 94 LYS CA C 94 55.856 55.856 55.561 0.295 19354 11754 1 17 . 1 1 94 94 LYS CB C 94 31.809 31.809 33.059 -1.250 19354 11755 1 17 . 1 1 94 94 LYS H H 94 8.526 8.526 8.515 0.011 19354 11756 1 17 . 1 1 95 95 ILE N N 95 128.382 128.382 126.773 1.609 19354 11757 1 17 . 1 1 95 95 ILE HA H 95 4.049 4.049 4.115 -0.066 19354 11758 1 17 . 1 1 95 95 ILE C C 95 176.337 176.337 175.994 0.343 19354 11759 1 17 . 1 1 95 95 ILE CA C 95 60.847 60.847 61.322 -0.475 19354 11760 1 17 . 1 1 95 95 ILE CB C 95 39.625 39.625 38.088 1.537 19354 11761 1 17 . 1 1 95 95 ILE H H 95 9.001 9.001 8.548 0.453 19354 11762 1 17 . 1 1 96 96 ASN N N 96 127.596 127.596 127.545 0.051 19354 11763 1 17 . 1 1 96 96 ASN HA H 96 4.212 4.212 4.403 -0.191 19354 11764 1 17 . 1 1 96 96 ASN C C 96 175.496 175.496 175.151 0.345 19354 11765 1 17 . 1 1 96 96 ASN CA C 96 53.970 53.970 53.564 0.406 19354 11766 1 17 . 1 1 96 96 ASN CB C 96 37.238 37.238 37.955 -0.717 19354 11767 1 17 . 1 1 96 96 ASN H H 96 9.474 9.474 9.367 0.107 19354 11768 1 17 . 1 1 97 97 GLY N N 97 101.656 101.656 103.168 -1.512 19354 11769 1 17 . 1 1 97 97 GLY C C 97 173.651 173.651 173.570 0.081 19354 11770 1 17 . 1 1 97 97 GLY CA C 97 45.167 45.167 44.887 0.280 19354 11771 1 17 . 1 1 97 97 GLY H H 97 8.476 8.476 8.095 0.381 19354 11772 1 17 . 1 1 98 98 GLU N N 98 120.042 120.042 120.567 -0.525 19354 11773 1 17 . 1 1 98 98 GLU HA H 98 4.587 4.587 4.510 0.077 19354 11774 1 17 . 1 1 98 98 GLU C C 98 174.422 174.422 175.208 -0.786 19354 11775 1 17 . 1 1 98 98 GLU CA C 98 54.294 54.294 54.243 0.051 19354 11776 1 17 . 1 1 98 98 GLU CB C 98 32.934 32.934 31.613 1.321 19354 11777 1 17 . 1 1 98 98 GLU H H 98 7.591 7.591 7.645 -0.054 19354 11778 1 17 . 1 1 99 99 ASP N N 99 126.603 126.603 127.670 -1.067 19354 11779 1 17 . 1 1 99 99 ASP HA H 99 4.340 4.340 4.494 -0.154 19354 11780 1 17 . 1 1 99 99 ASP C C 99 176.214 176.214 175.656 0.558 19354 11781 1 17 . 1 1 99 99 ASP CA C 99 55.408 55.408 55.737 -0.329 19354 11782 1 17 . 1 1 99 99 ASP CB C 99 41.629 41.629 40.300 1.329 19354 11783 1 17 . 1 1 99 99 ASP H H 99 8.489 8.489 8.766 -0.277 19354 11784 1 17 . 1 1 100 100 MET N N 100 121.977 121.977 121.593 0.384 19354 11785 1 17 . 1 1 100 100 MET HA H 100 4.911 4.911 5.312 -0.401 19354 11786 1 17 . 1 1 100 100 MET C C 100 172.900 172.900 175.105 -2.205 19354 11787 1 17 . 1 1 100 100 MET CA C 100 53.649 53.649 53.526 0.123 19354 11788 1 17 . 1 1 100 100 MET CB C 100 35.529 35.529 36.636 -1.107 19354 11789 1 17 . 1 1 100 100 MET H H 100 8.853 8.853 8.880 -0.027 19354 11790 1 17 . 1 1 101 101 VAL N N 101 119.963 119.963 112.184 7.779 19354 11791 1 17 . 1 1 101 101 VAL HA H 101 4.814 4.814 4.373 0.441 19354 11792 1 17 . 1 1 101 101 VAL C C 101 172.991 172.991 173.535 -0.544 19354 11793 1 17 . 1 1 101 101 VAL CA C 101 58.203 58.203 59.681 -1.478 19354 11794 1 17 . 1 1 101 101 VAL CB C 101 34.629 34.629 35.107 -0.478 19354 11795 1 17 . 1 1 101 101 VAL H H 101 8.964 8.964 7.967 0.997 19354 11796 1 17 . 1 1 102 102 TYR N N 102 125.849 125.849 121.821 4.028 19354 11797 1 17 . 1 1 102 102 TYR HA H 102 4.444 4.444 5.077 -0.633 19354 11798 1 17 . 1 1 102 102 TYR C C 102 176.464 176.464 175.677 0.787 19354 11799 1 17 . 1 1 102 102 TYR CA C 102 57.549 57.549 56.881 0.668 19354 11800 1 17 . 1 1 102 102 TYR CB C 102 38.274 38.274 39.610 -1.336 19354 11801 1 17 . 1 1 102 102 TYR H H 102 8.137 8.137 7.773 0.364 19354 11802 1 17 . 1 1 103 103 LEU N N 103 123.151 123.151 126.027 -2.876 19354 11803 1 17 . 1 1 103 103 LEU HA H 103 4.683 4.683 4.595 0.088 19354 11804 1 17 . 1 1 103 103 LEU CA C 103 52.426 52.426 53.185 -0.759 19354 11805 1 17 . 1 1 103 103 LEU CB C 103 42.038 42.038 42.378 -0.340 19354 11806 1 17 . 1 1 103 103 LEU H H 103 8.308 8.308 8.117 0.191 19354 11807 1 17 . 1 1 104 104 PRO HA H 104 4.678 4.678 4.531 0.147 19354 11808 1 17 . 1 1 104 104 PRO CA C 104 61.704 61.704 62.696 -0.992 19354 11809 1 17 . 1 1 104 104 PRO CB C 104 32.020 32.020 32.190 -0.170 19354 11810 1 17 . 1 1 105 105 SER N N 105 113.955 113.955 117.881 -3.926 19354 11811 1 17 . 1 1 105 105 SER HA H 105 4.632 4.632 4.603 0.029 19354 11812 1 17 . 1 1 105 105 SER C C 105 175.473 175.473 175.842 -0.369 19354 11813 1 17 . 1 1 105 105 SER CA C 105 56.324 56.324 57.497 -1.173 19354 11814 1 17 . 1 1 105 105 SER CB C 105 65.193 65.193 64.900 0.293 19354 11815 1 17 . 1 1 105 105 SER H H 105 7.668 7.668 8.313 -0.645 19354 11816 1 17 . 1 1 106 106 TYR N N 106 122.582 122.582 122.383 0.199 19354 11817 1 17 . 1 1 106 106 TYR HA H 106 3.724 3.724 4.033 -0.309 19354 11818 1 17 . 1 1 106 106 TYR C C 106 178.116 178.116 177.147 0.969 19354 11819 1 17 . 1 1 106 106 TYR CA C 106 62.057 62.057 60.675 1.382 19354 11820 1 17 . 1 1 106 106 TYR CB C 106 37.925 37.925 37.450 0.475 19354 11821 1 17 . 1 1 106 106 TYR H H 106 8.492 8.492 9.053 -0.561 19354 11822 1 17 . 1 1 107 107 GLU N N 107 118.362 118.362 118.872 -0.510 19354 11823 1 17 . 1 1 107 107 GLU HA H 107 3.846 3.846 3.288 0.558 19354 11824 1 17 . 1 1 107 107 GLU C C 107 177.421 177.421 178.359 -0.938 19354 11825 1 17 . 1 1 107 107 GLU CA C 107 58.867 58.867 59.581 -0.714 19354 11826 1 17 . 1 1 107 107 GLU CB C 107 28.969 28.969 28.887 0.082 19354 11827 1 17 . 1 1 107 107 GLU H H 107 8.503 8.503 7.957 0.546 19354 11828 1 17 . 1 1 108 108 MET N N 108 116.221 116.221 117.776 -1.555 19354 11829 1 17 . 1 1 108 108 MET HA H 108 3.708 3.708 4.030 -0.322 19354 11830 1 17 . 1 1 108 108 MET C C 108 176.804 176.804 178.708 -1.904 19354 11831 1 17 . 1 1 108 108 MET CA C 108 58.648 58.648 58.104 0.544 19354 11832 1 17 . 1 1 108 108 MET CB C 108 33.058 33.058 31.405 1.653 19354 11833 1 17 . 1 1 108 108 MET H H 108 7.409 7.409 7.431 -0.022 19354 11834 1 17 . 1 1 109 109 CYS N N 109 114.131 114.131 116.723 -2.592 19354 11835 1 17 . 1 1 109 109 CYS HA H 109 3.857 3.857 3.662 0.196 19354 11836 1 17 . 1 1 109 109 CYS C C 109 178.047 178.047 177.038 1.009 19354 11837 1 17 . 1 1 109 109 CYS CA C 109 58.737 58.737 60.788 -2.051 19354 11838 1 17 . 1 1 109 109 CYS CB C 109 35.006 35.006 25.847 9.159 19354 11839 1 17 . 1 1 109 109 CYS H H 109 6.817 6.817 7.668 -0.851 19354 11840 1 17 . 1 1 110 110 ARG N N 110 124.629 124.629 120.825 3.804 19354 11841 1 17 . 1 1 110 110 ARG HA H 110 3.376 3.376 4.087 -0.711 19354 11842 1 17 . 1 1 110 110 ARG C C 110 179.435 179.435 178.141 1.294 19354 11843 1 17 . 1 1 110 110 ARG CA C 110 59.641 59.641 57.762 1.879 19354 11844 1 17 . 1 1 110 110 ARG CB C 110 29.273 29.273 29.400 -0.127 19354 11845 1 17 . 1 1 110 110 ARG H H 110 8.885 8.885 7.865 1.020 19354 11846 1 17 . 1 1 111 111 ILE N N 111 113.379 113.379 117.118 -3.739 19354 11847 1 17 . 1 1 111 111 ILE HA H 111 3.796 3.796 3.765 0.031 19354 11848 1 17 . 1 1 111 111 ILE C C 111 175.624 175.624 176.718 -1.094 19354 11849 1 17 . 1 1 111 111 ILE CA C 111 63.811 63.811 63.246 0.565 19354 11850 1 17 . 1 1 111 111 ILE CB C 111 38.229 38.229 36.931 1.298 19354 11851 1 17 . 1 1 111 111 ILE H H 111 7.422 7.422 7.744 -0.322 19354 11852 1 17 . 1 1 112 112 THR N N 112 109.403 109.403 110.456 -1.053 19354 11853 1 17 . 1 1 112 112 THR HA H 112 3.889 3.889 4.332 -0.443 19354 11854 1 17 . 1 1 112 112 THR C C 112 175.798 175.798 175.179 0.619 19354 11855 1 17 . 1 1 112 112 THR CA C 112 62.856 62.856 61.791 1.065 19354 11856 1 17 . 1 1 112 112 THR CB C 112 70.168 70.168 68.676 1.492 19354 11857 1 17 . 1 1 112 112 THR H H 112 7.574 7.574 7.402 0.172 19354 11858 1 17 . 1 1 113 113 MET N N 113 119.638 119.638 115.932 3.706 19354 11859 1 17 . 1 1 113 113 MET HA H 113 3.541 3.541 4.576 -1.035 19354 11860 1 17 . 1 1 113 113 MET C C 113 177.174 177.174 176.801 0.373 19354 11861 1 17 . 1 1 113 113 MET CA C 113 60.235 60.235 57.691 2.544 19354 11862 1 17 . 1 1 113 113 MET CB C 113 32.338 32.338 32.785 -0.447 19354 11863 1 17 . 1 1 113 113 MET H H 113 7.152 7.152 7.840 -0.688 19354 11864 1 17 . 1 1 114 114 GLU N N 114 117.224 117.224 120.510 -3.286 19354 11865 1 17 . 1 1 114 114 GLU HA H 114 4.114 4.114 4.147 -0.033 19354 11866 1 17 . 1 1 114 114 GLU CA C 114 60.422 60.422 60.273 0.149 19354 11867 1 17 . 1 1 114 114 GLU CB C 114 26.103 26.103 28.010 -1.907 19354 11868 1 17 . 1 1 114 114 GLU H H 114 8.580 8.580 8.681 -0.101 19354 11869 1 17 . 1 1 115 115 PRO HA H 115 4.304 4.304 4.401 -0.097 19354 11870 1 17 . 1 1 115 115 PRO CA C 115 65.128 65.128 63.934 1.194 19354 11871 1 17 . 1 1 115 115 PRO CB C 115 31.141 31.141 31.911 -0.770 19354 11872 1 17 . 1 1 116 116 CYS N N 116 111.879 111.879 120.868 -8.989 19354 11873 1 17 . 1 1 116 116 CYS HA H 116 4.679 4.679 4.635 0.044 19354 11874 1 17 . 1 1 116 116 CYS C C 116 174.808 174.808 176.379 -1.571 19354 11875 1 17 . 1 1 116 116 CYS CA C 116 54.060 54.060 58.824 -4.764 19354 11876 1 17 . 1 1 116 116 CYS CB C 116 42.879 42.879 25.356 17.523 19354 11877 1 17 . 1 1 116 116 CYS H H 116 7.208 7.208 8.426 -1.218 19354 11878 1 17 . 1 1 117 117 ARG N N 117 123.750 123.750 125.190 -1.440 19354 11879 1 17 . 1 1 117 117 ARG HA H 117 3.161 3.161 4.311 -1.150 19354 11880 1 17 . 1 1 117 117 ARG C C 117 178.210 178.210 177.211 0.999 19354 11881 1 17 . 1 1 117 117 ARG CA C 117 59.743 59.743 58.840 0.903 19354 11882 1 17 . 1 1 117 117 ARG CB C 117 29.486 29.486 30.738 -1.252 19354 11883 1 17 . 1 1 117 117 ARG H H 117 7.436 7.436 8.062 -0.626 19354 11884 1 17 . 1 1 118 118 ILE N N 118 116.384 116.384 118.561 -2.177 19354 11885 1 17 . 1 1 118 118 ILE HA H 118 4.000 4.000 3.839 0.161 19354 11886 1 17 . 1 1 118 118 ILE C C 118 176.577 176.577 175.993 0.584 19354 11887 1 17 . 1 1 118 118 ILE CA C 118 63.166 63.166 62.319 0.847 19354 11888 1 17 . 1 1 118 118 ILE CB C 118 37.781 37.781 36.718 1.063 19354 11889 1 17 . 1 1 118 118 ILE H H 118 8.130 8.130 8.213 -0.083 19354 11890 1 17 . 1 1 119 119 LEU N N 119 119.738 119.738 118.998 0.740 19354 11891 1 17 . 1 1 119 119 LEU HA H 119 4.540 4.540 4.286 0.254 19354 11892 1 17 . 1 1 119 119 LEU C C 119 178.346 178.346 177.216 1.130 19354 11893 1 17 . 1 1 119 119 LEU CA C 119 54.697 54.697 52.706 1.991 19354 11894 1 17 . 1 1 119 119 LEU CB C 119 42.872 42.872 39.406 3.466 19354 11895 1 17 . 1 1 119 119 LEU H H 119 7.771 7.771 7.340 0.431 19354 11896 1 17 . 1 1 120 120 TYR N N 120 121.945 121.945 116.425 5.520 19354 11897 1 17 . 1 1 120 120 TYR HA H 120 4.125 4.125 4.121 0.004 19354 11898 1 17 . 1 1 120 120 TYR C C 120 176.169 176.169 175.993 0.176 19354 11899 1 17 . 1 1 120 120 TYR CA C 120 59.682 59.682 59.572 0.110 19354 11900 1 17 . 1 1 120 120 TYR CB C 120 37.180 37.180 37.915 -0.735 19354 11901 1 17 . 1 1 120 120 TYR H H 120 7.886 7.886 6.935 0.951 19354 11902 1 17 . 1 1 121 121 ASN N N 121 115.992 115.992 109.995 5.997 19354 11903 1 17 . 1 1 121 121 ASN HA H 121 4.885 4.885 4.842 0.043 19354 11904 1 17 . 1 1 121 121 ASN C C 121 175.612 175.612 174.876 0.736 19354 11905 1 17 . 1 1 121 121 ASN CA C 121 52.670 52.670 53.071 -0.401 19354 11906 1 17 . 1 1 121 121 ASN CB C 121 38.058 38.058 38.594 -0.537 19354 11907 1 17 . 1 1 121 121 ASN H H 121 8.228 8.228 8.027 0.201 19354 11908 1 17 . 1 1 122 122 THR N N 122 109.094 109.094 117.309 -8.215 19354 11909 1 17 . 1 1 122 122 THR HA H 122 4.682 4.682 4.273 0.409 19354 11910 1 17 . 1 1 122 122 THR C C 122 175.844 175.844 174.697 1.147 19354 11911 1 17 . 1 1 122 122 THR CA C 122 61.815 61.815 62.897 -1.082 19354 11912 1 17 . 1 1 122 122 THR CB C 122 72.484 72.484 69.947 2.537 19354 11913 1 17 . 1 1 122 122 THR H H 122 7.649 7.649 8.232 -0.583 19354 11914 1 17 . 1 1 123 123 THR N N 123 112.067 112.067 116.318 -4.251 19354 11915 1 17 . 1 1 123 123 THR HA H 123 4.026 4.026 4.540 -0.514 19354 11916 1 17 . 1 1 123 123 THR C C 123 175.033 175.033 173.297 1.736 19354 11917 1 17 . 1 1 123 123 THR CA C 123 63.174 63.174 61.728 1.446 19354 11918 1 17 . 1 1 123 123 THR CB C 123 68.529 68.529 68.658 -0.129 19354 11919 1 17 . 1 1 123 123 THR H H 123 8.261 8.261 8.327 -0.066 19354 11920 1 17 . 1 1 124 124 PHE N N 124 118.139 118.139 127.211 -9.072 19354 11921 1 17 . 1 1 124 124 PHE HA H 124 4.153 4.153 4.394 -0.241 19354 11922 1 17 . 1 1 124 124 PHE C C 124 175.398 175.398 174.573 0.825 19354 11923 1 17 . 1 1 124 124 PHE CA C 124 59.890 59.890 58.500 1.390 19354 11924 1 17 . 1 1 124 124 PHE CB C 124 39.668 39.668 41.106 -1.438 19354 11925 1 17 . 1 1 124 124 PHE H H 124 7.764 7.764 8.486 -0.722 19354 11926 1 17 . 1 1 125 125 PHE N N 125 118.447 118.447 117.391 1.056 19354 11927 1 17 . 1 1 125 125 PHE HA H 125 4.662 4.662 5.151 -0.489 19354 11928 1 17 . 1 1 125 125 PHE CA C 125 56.245 56.245 55.061 1.184 19354 11929 1 17 . 1 1 125 125 PHE CB C 125 38.810 38.810 39.442 -0.632 19354 11930 1 17 . 1 1 125 125 PHE H H 125 7.670 7.670 8.015 -0.345 19354 11931 1 17 . 1 1 126 126 PRO HA H 126 4.398 4.398 4.444 -0.046 19354 11932 1 17 . 1 1 126 126 PRO CA C 126 62.432 62.432 63.992 -1.560 19354 11933 1 17 . 1 1 126 126 PRO CB C 126 32.670 32.670 32.340 0.329 19354 11934 1 17 . 1 1 127 127 LYS N N 127 118.753 118.753 117.340 1.413 19354 11935 1 17 . 1 1 127 127 LYS HA H 127 3.580 3.580 4.309 -0.729 19354 11936 1 17 . 1 1 127 127 LYS C C 127 177.977 177.977 178.147 -0.170 19354 11937 1 17 . 1 1 127 127 LYS CA C 127 60.279 60.279 58.887 1.392 19354 11938 1 17 . 1 1 127 127 LYS CB C 127 31.599 31.599 31.730 -0.131 19354 11939 1 17 . 1 1 127 127 LYS H H 127 8.565 8.565 8.547 0.018 19354 11940 1 17 . 1 1 128 128 PHE N N 128 110.638 110.638 117.557 -6.919 19354 11941 1 17 . 1 1 128 128 PHE HA H 128 4.481 4.481 5.100 -0.619 19354 11942 1 17 . 1 1 128 128 PHE C C 128 173.946 173.946 174.502 -0.556 19354 11943 1 17 . 1 1 128 128 PHE CA C 128 57.841 57.841 58.159 -0.318 19354 11944 1 17 . 1 1 128 128 PHE CB C 128 36.807 36.807 41.717 -4.910 19354 11945 1 17 . 1 1 128 128 PHE H H 128 6.795 6.795 7.917 -1.122 19354 11946 1 17 . 1 1 129 129 LEU N N 129 119.653 119.653 116.504 3.149 19354 11947 1 17 . 1 1 129 129 LEU HA H 129 4.710 4.710 4.316 0.394 19354 11948 1 17 . 1 1 129 129 LEU C C 129 175.398 175.398 176.120 -0.722 19354 11949 1 17 . 1 1 129 129 LEU CA C 129 53.169 53.169 53.360 -0.191 19354 11950 1 17 . 1 1 129 129 LEU CB C 129 44.901 44.901 41.714 3.187 19354 11951 1 17 . 1 1 129 129 LEU H H 129 7.204 7.204 7.249 -0.045 19354 11952 1 17 . 1 1 130 130 ARG N N 130 116.807 116.807 121.713 -4.906 19354 11953 1 17 . 1 1 130 130 ARG HA H 130 4.328 4.328 4.183 0.145 19354 11954 1 17 . 1 1 130 130 ARG C C 130 177.099 177.099 175.387 1.712 19354 11955 1 17 . 1 1 130 130 ARG CA C 130 55.250 55.250 56.826 -1.576 19354 11956 1 17 . 1 1 130 130 ARG CB C 130 30.355 30.355 28.581 1.774 19354 11957 1 17 . 1 1 130 130 ARG H H 130 7.090 7.090 7.878 -0.788 19354 11958 1 17 . 1 1 131 131 CYS N N 131 117.271 117.271 119.668 -2.397 19354 11959 1 17 . 1 1 131 131 CYS HA H 131 4.588 4.588 4.878 -0.290 19354 11960 1 17 . 1 1 131 131 CYS C C 131 175.022 175.022 173.748 1.274 19354 11961 1 17 . 1 1 131 131 CYS CA C 131 54.449 54.449 55.915 -1.466 19354 11962 1 17 . 1 1 131 131 CYS CB C 131 34.958 34.958 30.742 4.216 19354 11963 1 17 . 1 1 131 131 CYS H H 131 8.210 8.210 8.170 0.040 19354 11964 1 17 . 1 1 132 132 ASN N N 132 120.232 120.232 121.731 -1.499 19354 11965 1 17 . 1 1 132 132 ASN HA H 132 4.811 4.811 4.451 0.360 19354 11966 1 17 . 1 1 132 132 ASN C C 132 175.080 175.080 173.976 1.104 19354 11967 1 17 . 1 1 132 132 ASN CA C 132 53.188 53.188 53.984 -0.796 19354 11968 1 17 . 1 1 132 132 ASN CB C 132 40.003 40.003 38.983 1.020 19354 11969 1 17 . 1 1 132 132 ASN H H 132 7.801 7.801 8.513 -0.712 19354 11970 1 17 . 1 1 133 133 GLU N N 133 123.435 123.435 120.775 2.660 19354 11971 1 17 . 1 1 133 133 GLU HA H 133 4.225 4.225 4.365 -0.140 19354 11972 1 17 . 1 1 133 133 GLU C C 133 176.447 176.447 175.704 0.743 19354 11973 1 17 . 1 1 133 133 GLU CA C 133 57.928 57.928 56.537 1.391 19354 11974 1 17 . 1 1 133 133 GLU CB C 133 29.822 29.822 32.410 -2.587 19354 11975 1 17 . 1 1 133 133 GLU H H 133 9.086 9.086 8.437 0.649 19354 11976 1 17 . 1 1 134 134 THR N N 134 113.403 113.403 112.593 0.810 19354 11977 1 17 . 1 1 134 134 THR HA H 134 3.964 3.964 3.813 0.151 19354 11978 1 17 . 1 1 134 134 THR C C 134 174.853 174.853 174.070 0.783 19354 11979 1 17 . 1 1 134 134 THR CA C 134 63.694 63.694 63.377 0.317 19354 11980 1 17 . 1 1 134 134 THR CB C 134 68.841 68.841 67.621 1.220 19354 11981 1 17 . 1 1 134 134 THR H H 134 8.067 8.067 8.762 -0.695 19354 11982 1 17 . 1 1 135 135 LEU N N 135 121.377 121.377 114.879 6.498 19354 11983 1 17 . 1 1 135 135 LEU HA H 135 3.964 3.964 4.253 -0.289 19354 11984 1 17 . 1 1 135 135 LEU C C 135 176.215 176.215 174.756 1.459 19354 11985 1 17 . 1 1 135 135 LEU CA C 135 55.656 55.656 54.374 1.282 19354 11986 1 17 . 1 1 135 135 LEU CB C 135 42.291 42.291 42.632 -0.341 19354 11987 1 17 . 1 1 135 135 LEU H H 135 7.448 7.448 7.254 0.194 19354 11988 1 17 . 1 1 136 136 PHE N N 136 117.704 117.704 114.265 3.439 19354 11989 1 17 . 1 1 136 136 PHE HA H 136 5.202 5.202 4.348 0.854 19354 11990 1 17 . 1 1 136 136 PHE C C 136 179.412 179.412 174.058 5.354 19354 11991 1 17 . 1 1 136 136 PHE CA C 136 53.495 53.495 57.565 -4.070 19354 11992 1 17 . 1 1 136 136 PHE CB C 136 39.248 39.248 36.366 2.882 19354 11993 1 17 . 1 1 136 136 PHE H H 136 7.542 7.542 7.504 0.038 19354 11994 1 17 . 1 1 137 137 PRO HA H 137 4.528 4.528 4.427 0.101 19354 11995 1 17 . 1 1 137 137 PRO CA C 137 62.949 62.949 64.593 -1.643 19354 11996 1 17 . 1 1 137 137 PRO CB C 137 32.242 32.242 32.358 -0.116 19354 11997 1 17 . 1 1 138 138 THR N N 138 114.025 114.025 112.605 1.420 19354 11998 1 17 . 1 1 138 138 THR HA H 138 4.324 4.324 3.963 0.361 19354 11999 1 17 . 1 1 138 138 THR C C 138 174.175 174.175 174.837 -0.662 19354 12000 1 17 . 1 1 138 138 THR CA C 138 61.863 61.863 63.971 -2.108 19354 12001 1 17 . 1 1 138 138 THR CB C 138 69.742 69.742 68.810 0.932 19354 12002 1 17 . 1 1 138 138 THR H H 138 8.452 8.452 8.005 0.447 19354 12003 1 18 . 1 1 13 13 GLY N N 13 110.400 110.400 110.183 0.217 19354 12004 1 18 . 1 1 13 13 GLY C C 13 173.560 173.560 171.999 1.561 19354 12005 1 18 . 1 1 13 13 GLY CA C 13 45.111 45.111 45.566 -0.455 19354 12006 1 18 . 1 1 13 13 GLY H H 13 8.335 8.335 8.454 -0.119 19354 12007 1 18 . 1 1 14 14 LEU N N 14 121.222 121.222 122.014 -0.792 19354 12008 1 18 . 1 1 14 14 LEU HA H 14 4.378 4.378 4.535 -0.157 19354 12009 1 18 . 1 1 14 14 LEU C C 14 177.119 177.119 174.973 2.146 19354 12010 1 18 . 1 1 14 14 LEU CA C 14 54.838 54.838 55.062 -0.224 19354 12011 1 18 . 1 1 14 14 LEU CB C 14 42.429 42.429 43.930 -1.501 19354 12012 1 18 . 1 1 14 14 LEU H H 14 7.915 7.915 7.473 0.442 19354 12013 1 18 . 1 1 15 15 VAL N N 15 123.222 123.222 125.795 -2.573 19354 12014 1 18 . 1 1 15 15 VAL HA H 15 4.335 4.335 4.047 0.288 19354 12015 1 18 . 1 1 15 15 VAL C C 15 175.602 175.602 174.966 0.636 19354 12016 1 18 . 1 1 15 15 VAL CA C 15 59.375 59.375 60.208 -0.833 19354 12017 1 18 . 1 1 15 15 VAL CB C 15 33.197 33.197 32.525 0.672 19354 12018 1 18 . 1 1 15 15 VAL H H 15 8.297 8.297 8.214 0.083 19354 12019 1 18 . 1 1 16 16 PRO HA H 16 4.379 4.379 4.537 -0.158 19354 12020 1 18 . 1 1 16 16 PRO CA C 16 62.925 62.925 63.118 -0.193 19354 12021 1 18 . 1 1 16 16 PRO CB C 16 32.043 32.043 30.826 1.218 19354 12022 1 18 . 1 1 17 17 ARG N N 17 122.742 122.742 123.684 -0.942 19354 12023 1 18 . 1 1 17 17 ARG HA H 17 4.219 4.219 4.780 -0.561 19354 12024 1 18 . 1 1 17 17 ARG C C 17 176.586 176.586 177.722 -1.136 19354 12025 1 18 . 1 1 17 17 ARG CA C 17 55.479 55.479 54.257 1.222 19354 12026 1 18 . 1 1 17 17 ARG CB C 17 30.889 30.889 31.780 -0.891 19354 12027 1 18 . 1 1 17 17 ARG H H 17 8.469 8.469 7.803 0.666 19354 12028 1 18 . 1 1 18 18 GLY N N 18 111.993 111.993 108.228 3.765 19354 12029 1 18 . 1 1 18 18 GLY C C 18 174.453 174.453 175.000 -0.547 19354 12030 1 18 . 1 1 18 18 GLY CA C 18 45.670 45.670 46.269 -0.599 19354 12031 1 18 . 1 1 18 18 GLY H H 18 8.538 8.538 8.893 -0.355 19354 12032 1 18 . 1 1 19 19 SER HA H 19 4.318 4.318 4.506 -0.188 19354 12033 1 18 . 1 1 19 19 SER CA C 19 58.480 58.480 58.452 0.028 19354 12034 1 18 . 1 1 19 19 SER CB C 19 63.535 63.535 64.891 -1.356 19354 12035 1 18 . 1 1 20 20 HIS N N 20 120.039 120.039 120.146 -0.107 19354 12036 1 18 . 1 1 20 20 HIS HA H 20 4.678 4.678 4.875 -0.197 19354 12037 1 18 . 1 1 20 20 HIS C C 20 174.263 174.263 174.279 -0.016 19354 12038 1 18 . 1 1 20 20 HIS CA C 20 55.889 55.889 56.368 -0.479 19354 12039 1 18 . 1 1 20 20 HIS CB C 20 32.027 32.027 32.200 -0.173 19354 12040 1 18 . 1 1 20 20 HIS H H 20 8.344 8.344 8.555 -0.211 19354 12041 1 18 . 1 1 21 21 MET N N 21 120.453 120.453 116.402 4.051 19354 12042 1 18 . 1 1 21 21 MET HA H 21 4.676 4.676 4.690 -0.014 19354 12043 1 18 . 1 1 21 21 MET C C 21 174.808 174.808 173.816 0.992 19354 12044 1 18 . 1 1 21 21 MET CA C 21 54.232 54.232 56.718 -2.486 19354 12045 1 18 . 1 1 21 21 MET CB C 21 32.377 32.377 34.097 -1.720 19354 12046 1 18 . 1 1 21 21 MET H H 21 8.587 8.587 8.396 0.191 19354 12047 1 18 . 1 1 22 22 VAL N N 22 112.794 112.794 119.514 -6.720 19354 12048 1 18 . 1 1 22 22 VAL HA H 22 5.297 5.297 4.906 0.391 19354 12049 1 18 . 1 1 22 22 VAL C C 22 175.218 175.218 174.494 0.724 19354 12050 1 18 . 1 1 22 22 VAL CA C 22 57.885 57.885 60.675 -2.790 19354 12051 1 18 . 1 1 22 22 VAL CB C 22 35.895 35.895 35.723 0.172 19354 12052 1 18 . 1 1 22 22 VAL H H 22 7.805 7.805 7.660 0.145 19354 12053 1 18 . 1 1 23 23 ARG N N 23 117.854 117.854 119.901 -2.047 19354 12054 1 18 . 1 1 23 23 ARG HA H 23 4.578 4.578 4.572 0.006 19354 12055 1 18 . 1 1 23 23 ARG C C 23 174.128 174.128 174.109 0.019 19354 12056 1 18 . 1 1 23 23 ARG CA C 23 54.192 54.192 55.117 -0.925 19354 12057 1 18 . 1 1 23 23 ARG CB C 23 34.757 34.757 33.252 1.505 19354 12058 1 18 . 1 1 23 23 ARG H H 23 8.430 8.430 8.074 0.356 19354 12059 1 18 . 1 1 24 24 ARG N N 24 124.928 124.928 122.276 2.652 19354 12060 1 18 . 1 1 24 24 ARG HA H 24 4.619 4.619 4.453 0.166 19354 12061 1 18 . 1 1 24 24 ARG C C 24 176.265 176.265 175.123 1.142 19354 12062 1 18 . 1 1 24 24 ARG CA C 24 57.824 57.824 56.036 1.788 19354 12063 1 18 . 1 1 24 24 ARG CB C 24 29.913 29.913 27.903 2.010 19354 12064 1 18 . 1 1 24 24 ARG H H 24 8.569 8.569 8.607 -0.038 19354 12065 1 18 . 1 1 25 25 ALA N N 25 127.390 127.390 124.416 2.974 19354 12066 1 18 . 1 1 25 25 ALA HA H 25 4.379 4.379 4.483 -0.104 19354 12067 1 18 . 1 1 25 25 ALA C C 25 174.173 174.173 176.461 -2.288 19354 12068 1 18 . 1 1 25 25 ALA CA C 25 51.382 51.382 50.611 0.771 19354 12069 1 18 . 1 1 25 25 ALA CB C 25 23.050 23.050 21.207 1.843 19354 12070 1 18 . 1 1 25 25 ALA H H 25 8.082 8.082 7.930 0.152 19354 12071 1 18 . 1 1 26 26 ARG N N 26 116.820 116.820 120.053 -3.233 19354 12072 1 18 . 1 1 26 26 ARG HA H 26 4.692 4.692 4.354 0.338 19354 12073 1 18 . 1 1 26 26 ARG C C 26 177.847 177.847 175.106 2.741 19354 12074 1 18 . 1 1 26 26 ARG CA C 26 55.271 55.271 56.545 -1.274 19354 12075 1 18 . 1 1 26 26 ARG CB C 26 31.215 31.215 31.434 -0.219 19354 12076 1 18 . 1 1 26 26 ARG H H 26 8.133 8.133 8.539 -0.406 19354 12077 1 18 . 1 1 27 27 CYS N N 27 126.567 126.567 122.147 4.420 19354 12078 1 18 . 1 1 27 27 CYS HA H 27 5.732 5.732 5.285 0.447 19354 12079 1 18 . 1 1 27 27 CYS C C 27 175.288 175.288 174.544 0.744 19354 12080 1 18 . 1 1 27 27 CYS CA C 27 51.785 51.785 56.728 -4.943 19354 12081 1 18 . 1 1 27 27 CYS CB C 27 38.246 38.246 28.653 9.593 19354 12082 1 18 . 1 1 27 27 CYS H H 27 9.709 9.709 8.506 1.203 19354 12083 1 18 . 1 1 28 28 TYR N N 28 120.309 120.309 121.153 -0.844 19354 12084 1 18 . 1 1 28 28 TYR HA H 28 5.079 5.079 5.096 -0.017 19354 12085 1 18 . 1 1 28 28 TYR CA C 28 54.951 54.951 54.038 0.913 19354 12086 1 18 . 1 1 28 28 TYR CB C 28 39.807 39.807 38.720 1.087 19354 12087 1 18 . 1 1 28 28 TYR H H 28 8.870 8.870 8.939 -0.069 19354 12088 1 18 . 1 1 29 29 PRO HA H 29 4.836 4.836 4.826 0.010 19354 12089 1 18 . 1 1 29 29 PRO CA C 29 61.773 61.773 62.778 -1.005 19354 12090 1 18 . 1 1 29 29 PRO CB C 29 31.173 31.173 32.139 -0.966 19354 12091 1 18 . 1 1 30 30 THR N N 30 115.177 115.177 119.719 -4.542 19354 12092 1 18 . 1 1 30 30 THR HA H 30 4.253 4.253 4.315 -0.062 19354 12093 1 18 . 1 1 30 30 THR C C 30 173.688 173.688 175.439 -1.751 19354 12094 1 18 . 1 1 30 30 THR CA C 30 61.324 61.324 64.093 -2.769 19354 12095 1 18 . 1 1 30 30 THR CB C 30 70.191 70.191 69.305 0.886 19354 12096 1 18 . 1 1 30 30 THR H H 30 7.978 7.978 8.771 -0.793 19354 12097 1 18 . 1 1 31 31 SER N N 31 116.822 116.822 115.044 1.778 19354 12098 1 18 . 1 1 31 31 SER HA H 31 4.702 4.702 4.645 0.057 19354 12099 1 18 . 1 1 31 31 SER C C 31 175.079 175.079 174.863 0.216 19354 12100 1 18 . 1 1 31 31 SER CA C 31 57.057 57.057 57.256 -0.199 19354 12101 1 18 . 1 1 31 31 SER CB C 31 66.020 66.020 65.141 0.879 19354 12102 1 18 . 1 1 31 31 SER H H 31 8.451 8.451 8.291 0.160 19354 12103 1 18 . 1 1 32 32 ASN N N 32 118.803 118.803 120.199 -1.396 19354 12104 1 18 . 1 1 32 32 ASN HA H 32 4.385 4.385 4.573 -0.188 19354 12105 1 18 . 1 1 32 32 ASN C C 32 175.705 175.705 175.455 0.250 19354 12106 1 18 . 1 1 32 32 ASN CA C 32 55.564 55.564 55.822 -0.258 19354 12107 1 18 . 1 1 32 32 ASN CB C 32 37.637 37.637 38.637 -1.000 19354 12108 1 18 . 1 1 32 32 ASN H H 32 8.802 8.802 8.737 0.065 19354 12109 1 18 . 1 1 33 33 ALA N N 33 118.571 118.571 121.040 -2.469 19354 12110 1 18 . 1 1 33 33 ALA HA H 33 4.262 4.262 4.363 -0.101 19354 12111 1 18 . 1 1 33 33 ALA C C 33 179.229 179.229 177.028 2.201 19354 12112 1 18 . 1 1 33 33 ALA CA C 33 53.087 53.087 53.213 -0.126 19354 12113 1 18 . 1 1 33 33 ALA CB C 33 19.563 19.563 19.511 0.052 19354 12114 1 18 . 1 1 33 33 ALA H H 33 8.004 8.004 8.222 -0.218 19354 12115 1 18 . 1 1 34 34 THR N N 34 106.312 106.312 110.222 -3.910 19354 12116 1 18 . 1 1 34 34 THR HA H 34 4.581 4.581 4.289 0.292 19354 12117 1 18 . 1 1 34 34 THR C C 34 175.334 175.334 172.950 2.384 19354 12118 1 18 . 1 1 34 34 THR CA C 34 60.586 60.586 61.560 -0.974 19354 12119 1 18 . 1 1 34 34 THR CB C 34 70.195 70.195 69.950 0.245 19354 12120 1 18 . 1 1 34 34 THR H H 34 7.551 7.551 7.411 0.140 19354 12121 1 18 . 1 1 35 35 ASN N N 35 122.599 122.599 122.850 -0.251 19354 12122 1 18 . 1 1 35 35 ASN HA H 35 4.528 4.528 4.700 -0.172 19354 12123 1 18 . 1 1 35 35 ASN C C 35 174.221 174.221 174.226 -0.005 19354 12124 1 18 . 1 1 35 35 ASN CA C 35 52.790 52.790 53.715 -0.925 19354 12125 1 18 . 1 1 35 35 ASN CB C 35 36.768 36.768 39.875 -3.107 19354 12126 1 18 . 1 1 35 35 ASN H H 35 7.897 7.897 8.468 -0.571 19354 12127 1 18 . 1 1 36 36 THR N N 36 107.151 107.151 116.379 -9.228 19354 12128 1 18 . 1 1 36 36 THR HA H 36 4.979 4.979 4.417 0.562 19354 12129 1 18 . 1 1 36 36 THR C C 36 173.651 173.651 172.425 1.226 19354 12130 1 18 . 1 1 36 36 THR CA C 36 59.011 59.011 61.617 -2.607 19354 12131 1 18 . 1 1 36 36 THR CB C 36 72.745 72.745 71.749 0.997 19354 12132 1 18 . 1 1 36 36 THR H H 36 7.490 7.490 7.997 -0.507 19354 12133 1 18 . 1 1 37 37 CYS N N 37 118.809 118.809 123.004 -4.195 19354 12134 1 18 . 1 1 37 37 CYS HA H 37 4.095 4.095 4.626 -0.531 19354 12135 1 18 . 1 1 37 37 CYS C C 37 173.688 173.688 173.396 0.292 19354 12136 1 18 . 1 1 37 37 CYS CA C 37 55.634 55.634 58.697 -3.062 19354 12137 1 18 . 1 1 37 37 CYS CB C 37 45.854 45.854 27.931 17.923 19354 12138 1 18 . 1 1 37 37 CYS H H 37 8.632 8.632 8.298 0.334 19354 12139 1 18 . 1 1 38 38 PHE N N 38 128.190 128.190 124.524 3.666 19354 12140 1 18 . 1 1 38 38 PHE HA H 38 4.275 4.275 4.191 0.084 19354 12141 1 18 . 1 1 38 38 PHE C C 38 176.261 176.261 176.603 -0.342 19354 12142 1 18 . 1 1 38 38 PHE CA C 38 59.067 59.067 57.959 1.108 19354 12143 1 18 . 1 1 38 38 PHE CB C 38 36.576 36.576 37.464 -0.888 19354 12144 1 18 . 1 1 38 38 PHE H H 38 9.018 9.018 8.941 0.077 19354 12145 1 18 . 1 1 39 39 GLY N N 39 104.504 104.504 107.326 -2.822 19354 12146 1 18 . 1 1 39 39 GLY C C 39 174.173 174.173 174.783 -0.610 19354 12147 1 18 . 1 1 39 39 GLY CA C 39 45.112 45.112 45.409 -0.297 19354 12148 1 18 . 1 1 39 39 GLY H H 39 8.566 8.566 8.553 0.013 19354 12149 1 18 . 1 1 40 40 SER N N 40 116.201 116.201 121.439 -5.238 19354 12150 1 18 . 1 1 40 40 SER HA H 40 4.529 4.529 4.408 0.121 19354 12151 1 18 . 1 1 40 40 SER C C 40 173.873 173.873 174.341 -0.468 19354 12152 1 18 . 1 1 40 40 SER CA C 40 57.436 57.436 58.639 -1.203 19354 12153 1 18 . 1 1 40 40 SER CB C 40 63.718 63.718 63.310 0.408 19354 12154 1 18 . 1 1 40 40 SER H H 40 7.533 7.533 8.118 -0.585 19354 12155 1 18 . 1 1 41 41 LYS N N 41 127.456 127.456 126.588 0.868 19354 12156 1 18 . 1 1 41 41 LYS HA H 41 4.056 4.056 4.118 -0.062 19354 12157 1 18 . 1 1 41 41 LYS C C 41 176.632 176.632 175.739 0.893 19354 12158 1 18 . 1 1 41 41 LYS CA C 41 56.409 56.409 56.054 0.355 19354 12159 1 18 . 1 1 41 41 LYS CB C 41 32.169 32.169 32.935 -0.767 19354 12160 1 18 . 1 1 41 41 LYS H H 41 8.768 8.768 8.462 0.306 19354 12161 1 18 . 1 1 42 42 LEU N N 42 128.016 128.016 124.238 3.778 19354 12162 1 18 . 1 1 42 42 LEU HA H 42 4.120 4.120 4.384 -0.264 19354 12163 1 18 . 1 1 42 42 LEU CA C 42 52.010 52.010 51.357 0.653 19354 12164 1 18 . 1 1 42 42 LEU CB C 42 40.680 40.680 39.928 0.752 19354 12165 1 18 . 1 1 42 42 LEU H H 42 8.304 8.304 8.162 0.142 19354 12166 1 18 . 1 1 43 43 PRO HA H 43 4.453 4.453 4.227 0.226 19354 12167 1 18 . 1 1 43 43 PRO CA C 43 62.807 62.807 63.862 -1.055 19354 12168 1 18 . 1 1 43 43 PRO CB C 43 29.625 29.625 31.582 -1.957 19354 12169 1 18 . 1 1 44 44 TYR N N 44 116.871 116.871 114.206 2.665 19354 12170 1 18 . 1 1 44 44 TYR HA H 44 4.689 4.689 4.853 -0.164 19354 12171 1 18 . 1 1 44 44 TYR C C 44 175.239 175.239 175.233 0.006 19354 12172 1 18 . 1 1 44 44 TYR CA C 44 53.718 53.718 54.724 -1.006 19354 12173 1 18 . 1 1 44 44 TYR CB C 44 38.637 38.637 40.237 -1.600 19354 12174 1 18 . 1 1 44 44 TYR H H 44 6.311 6.311 6.644 -0.333 19354 12175 1 18 . 1 1 45 45 GLU N N 45 118.221 118.221 119.954 -1.733 19354 12176 1 18 . 1 1 45 45 GLU HA H 45 4.138 4.138 4.515 -0.377 19354 12177 1 18 . 1 1 45 45 GLU C C 45 176.282 176.282 175.089 1.193 19354 12178 1 18 . 1 1 45 45 GLU CA C 45 57.502 57.502 55.869 1.633 19354 12179 1 18 . 1 1 45 45 GLU CB C 45 31.105 31.105 30.705 0.400 19354 12180 1 18 . 1 1 45 45 GLU H H 45 8.591 8.591 8.733 -0.142 19354 12181 1 18 . 1 1 46 46 LEU N N 46 119.826 119.826 119.057 0.769 19354 12182 1 18 . 1 1 46 46 LEU HA H 46 4.974 4.974 5.378 -0.404 19354 12183 1 18 . 1 1 46 46 LEU C C 46 175.420 175.420 176.141 -0.721 19354 12184 1 18 . 1 1 46 46 LEU CA C 46 53.202 53.202 53.296 -0.094 19354 12185 1 18 . 1 1 46 46 LEU CB C 46 43.587 43.587 45.453 -1.866 19354 12186 1 18 . 1 1 46 46 LEU H H 46 8.176 8.176 7.607 0.569 19354 12187 1 18 . 1 1 47 47 SER N N 47 111.561 111.561 112.823 -1.262 19354 12188 1 18 . 1 1 47 47 SER HA H 47 5.020 5.020 4.515 0.505 19354 12189 1 18 . 1 1 47 47 SER C C 47 173.833 173.833 172.142 1.691 19354 12190 1 18 . 1 1 47 47 SER CA C 47 53.006 53.006 56.989 -3.983 19354 12191 1 18 . 1 1 47 47 SER CB C 47 64.691 64.691 65.094 -0.403 19354 12192 1 18 . 1 1 47 47 SER H H 47 7.924 7.924 8.334 -0.410 19354 12193 1 18 . 1 1 48 48 SER N N 48 111.459 111.459 121.586 -10.127 19354 12194 1 18 . 1 1 48 48 SER HA H 48 4.841 4.841 4.949 -0.108 19354 12195 1 18 . 1 1 48 48 SER C C 48 175.602 175.602 175.063 0.539 19354 12196 1 18 . 1 1 48 48 SER CA C 48 57.388 57.388 55.892 1.496 19354 12197 1 18 . 1 1 48 48 SER CB C 48 66.333 66.333 64.091 2.241 19354 12198 1 18 . 1 1 48 48 SER H H 48 8.628 8.628 8.614 0.014 19354 12199 1 18 . 1 1 49 49 LEU N N 49 128.995 128.995 130.714 -1.719 19354 12200 1 18 . 1 1 49 49 LEU HA H 49 4.383 4.383 4.419 -0.036 19354 12201 1 18 . 1 1 49 49 LEU C C 49 179.571 179.571 177.849 1.722 19354 12202 1 18 . 1 1 49 49 LEU CA C 49 56.032 56.032 56.804 -0.772 19354 12203 1 18 . 1 1 49 49 LEU CB C 49 41.904 41.904 41.579 0.325 19354 12204 1 18 . 1 1 49 49 LEU H H 49 9.519 9.519 9.310 0.209 19354 12205 1 18 . 1 1 50 50 ASP N N 50 115.013 115.013 119.220 -4.207 19354 12206 1 18 . 1 1 50 50 ASP HA H 50 4.168 4.168 4.365 -0.197 19354 12207 1 18 . 1 1 50 50 ASP C C 50 176.486 176.486 177.761 -1.275 19354 12208 1 18 . 1 1 50 50 ASP CA C 50 58.352 58.352 56.502 1.850 19354 12209 1 18 . 1 1 50 50 ASP CB C 50 41.259 41.259 40.810 0.449 19354 12210 1 18 . 1 1 50 50 ASP H H 50 8.191 8.191 7.753 0.438 19354 12211 1 18 . 1 1 51 51 LEU N N 51 118.298 118.298 118.965 -0.667 19354 12212 1 18 . 1 1 51 51 LEU HA H 51 4.329 4.329 4.136 0.193 19354 12213 1 18 . 1 1 51 51 LEU C C 51 175.556 175.556 177.050 -1.494 19354 12214 1 18 . 1 1 51 51 LEU CA C 51 54.483 54.483 56.601 -2.118 19354 12215 1 18 . 1 1 51 51 LEU CB C 51 39.219 39.219 42.651 -3.432 19354 12216 1 18 . 1 1 51 51 LEU H H 51 8.732 8.732 7.663 1.069 19354 12217 1 18 . 1 1 52 52 THR N N 52 106.427 106.427 107.562 -1.135 19354 12218 1 18 . 1 1 52 52 THR HA H 52 2.784 2.784 4.449 -1.665 19354 12219 1 18 . 1 1 52 52 THR C C 52 172.812 172.812 173.617 -0.805 19354 12220 1 18 . 1 1 52 52 THR CA C 52 58.759 58.759 59.991 -1.232 19354 12221 1 18 . 1 1 52 52 THR CB C 52 71.985 71.985 70.775 1.210 19354 12222 1 18 . 1 1 52 52 THR H H 52 7.574 7.574 7.482 0.092 19354 12223 1 18 . 1 1 53 53 ASP HA H 53 4.398 4.398 4.615 -0.217 19354 12224 1 18 . 1 1 53 53 ASP CA C 53 52.757 52.757 52.880 -0.123 19354 12225 1 18 . 1 1 53 53 ASP CB C 53 40.737 40.737 40.525 0.212 19354 12226 1 18 . 1 1 54 54 PHE N N 54 117.929 117.929 118.600 -0.671 19354 12227 1 18 . 1 1 54 54 PHE HA H 54 4.498 4.498 4.426 0.072 19354 12228 1 18 . 1 1 54 54 PHE C C 54 176.169 176.169 176.382 -0.213 19354 12229 1 18 . 1 1 54 54 PHE CA C 54 57.477 57.477 57.715 -0.238 19354 12230 1 18 . 1 1 54 54 PHE CB C 54 39.270 39.270 39.401 -0.131 19354 12231 1 18 . 1 1 54 54 PHE H H 54 7.575 7.575 7.518 0.057 19354 12232 1 18 . 1 1 55 55 HIS N N 55 115.333 115.333 116.333 -1.000 19354 12233 1 18 . 1 1 55 55 HIS HA H 55 4.585 4.585 4.781 -0.196 19354 12234 1 18 . 1 1 55 55 HIS C C 55 175.080 175.080 174.299 0.781 19354 12235 1 18 . 1 1 55 55 HIS CA C 55 56.439 56.439 56.103 0.336 19354 12236 1 18 . 1 1 55 55 HIS CB C 55 31.104 31.104 31.018 0.086 19354 12237 1 18 . 1 1 55 55 HIS H H 55 9.230 9.230 8.845 0.385 19354 12238 1 18 . 1 1 56 56 THR N N 56 106.891 106.891 111.812 -4.921 19354 12239 1 18 . 1 1 56 56 THR HA H 56 4.528 4.528 4.293 0.235 19354 12240 1 18 . 1 1 56 56 THR C C 56 173.696 173.696 174.144 -0.448 19354 12241 1 18 . 1 1 56 56 THR CA C 56 58.725 58.725 60.437 -1.712 19354 12242 1 18 . 1 1 56 56 THR CB C 56 72.851 72.851 69.974 2.877 19354 12243 1 18 . 1 1 56 56 THR H H 56 7.343 7.343 7.379 -0.036 19354 12244 1 18 . 1 1 57 57 GLU N N 57 121.798 121.798 124.009 -2.211 19354 12245 1 18 . 1 1 57 57 GLU HA H 57 3.611 3.611 3.911 -0.300 19354 12246 1 18 . 1 1 57 57 GLU C C 57 178.417 178.417 178.147 0.270 19354 12247 1 18 . 1 1 57 57 GLU CA C 57 59.380 59.380 60.125 -0.745 19354 12248 1 18 . 1 1 57 57 GLU CB C 57 29.873 29.873 29.610 0.263 19354 12249 1 18 . 1 1 57 57 GLU H H 57 8.841 8.841 8.752 0.089 19354 12250 1 18 . 1 1 58 58 LYS N N 58 121.091 121.091 118.139 2.952 19354 12251 1 18 . 1 1 58 58 LYS HA H 58 3.903 3.903 3.894 0.009 19354 12252 1 18 . 1 1 58 58 LYS C C 58 177.745 177.745 178.379 -0.634 19354 12253 1 18 . 1 1 58 58 LYS CA C 58 59.470 59.470 59.263 0.207 19354 12254 1 18 . 1 1 58 58 LYS CB C 58 32.130 32.130 31.757 0.373 19354 12255 1 18 . 1 1 58 58 LYS H H 58 8.307 8.307 7.656 0.651 19354 12256 1 18 . 1 1 59 59 GLU N N 59 117.790 117.790 120.014 -2.224 19354 12257 1 18 . 1 1 59 59 GLU HA H 59 3.852 3.852 3.970 -0.118 19354 12258 1 18 . 1 1 59 59 GLU C C 59 178.051 178.051 178.205 -0.154 19354 12259 1 18 . 1 1 59 59 GLU CA C 59 59.094 59.094 59.060 0.034 19354 12260 1 18 . 1 1 59 59 GLU CB C 59 30.468 30.468 29.436 1.032 19354 12261 1 18 . 1 1 59 59 GLU H H 59 7.537 7.537 7.515 0.022 19354 12262 1 18 . 1 1 60 60 LEU N N 60 118.763 118.763 121.020 -2.257 19354 12263 1 18 . 1 1 60 60 LEU HA H 60 3.211 3.211 2.865 0.346 19354 12264 1 18 . 1 1 60 60 LEU C C 60 178.070 178.070 178.401 -0.331 19354 12265 1 18 . 1 1 60 60 LEU CA C 60 59.007 59.007 57.468 1.539 19354 12266 1 18 . 1 1 60 60 LEU CB C 60 42.750 42.750 41.835 0.915 19354 12267 1 18 . 1 1 60 60 LEU H H 60 7.321 7.321 7.295 0.026 19354 12268 1 18 . 1 1 61 61 ASN N N 61 116.987 116.987 116.685 0.302 19354 12269 1 18 . 1 1 61 61 ASN HA H 61 4.127 4.127 4.246 -0.119 19354 12270 1 18 . 1 1 61 61 ASN C C 61 177.689 177.689 177.375 0.314 19354 12271 1 18 . 1 1 61 61 ASN CA C 61 57.310 57.310 56.389 0.921 19354 12272 1 18 . 1 1 61 61 ASN CB C 61 39.288 39.288 38.509 0.779 19354 12273 1 18 . 1 1 61 61 ASN H H 61 8.335 8.335 7.971 0.364 19354 12274 1 18 . 1 1 62 62 ASP N N 62 120.935 120.935 119.463 1.472 19354 12275 1 18 . 1 1 62 62 ASP HA H 62 4.306 4.306 4.322 -0.016 19354 12276 1 18 . 1 1 62 62 ASP C C 62 178.868 178.868 177.747 1.121 19354 12277 1 18 . 1 1 62 62 ASP CA C 62 57.510 57.510 56.718 0.792 19354 12278 1 18 . 1 1 62 62 ASP CB C 62 39.596 39.596 40.426 -0.830 19354 12279 1 18 . 1 1 62 62 ASP H H 62 8.376 8.376 7.916 0.460 19354 12280 1 18 . 1 1 63 63 LYS N N 63 119.626 119.626 119.189 0.437 19354 12281 1 18 . 1 1 63 63 LYS HA H 63 4.168 4.168 4.187 -0.019 19354 12282 1 18 . 1 1 63 63 LYS C C 63 179.458 179.458 178.694 0.764 19354 12283 1 18 . 1 1 63 63 LYS CA C 63 55.698 55.698 58.324 -2.626 19354 12284 1 18 . 1 1 63 63 LYS CB C 63 31.082 31.082 32.368 -1.286 19354 12285 1 18 . 1 1 63 63 LYS H H 63 7.748 7.748 7.524 0.224 19354 12286 1 18 . 1 1 64 64 LEU N N 64 120.255 120.255 122.110 -1.855 19354 12287 1 18 . 1 1 64 64 LEU HA H 64 3.688 3.688 3.974 -0.286 19354 12288 1 18 . 1 1 64 64 LEU C C 64 178.732 178.732 178.720 0.012 19354 12289 1 18 . 1 1 64 64 LEU CA C 64 57.722 57.722 58.244 -0.522 19354 12290 1 18 . 1 1 64 64 LEU CB C 64 41.236 41.236 41.674 -0.438 19354 12291 1 18 . 1 1 64 64 LEU H H 64 8.221 8.221 7.649 0.572 19354 12292 1 18 . 1 1 65 65 ASN N N 65 113.630 113.630 116.898 -3.268 19354 12293 1 18 . 1 1 65 65 ASN HA H 65 4.580 4.580 4.116 0.464 19354 12294 1 18 . 1 1 65 65 ASN C C 65 178.394 178.394 177.805 0.589 19354 12295 1 18 . 1 1 65 65 ASN CA C 65 55.628 55.628 56.105 -0.477 19354 12296 1 18 . 1 1 65 65 ASN CB C 65 38.269 38.269 37.728 0.541 19354 12297 1 18 . 1 1 65 65 ASN H H 65 7.482 7.482 7.779 -0.297 19354 12298 1 18 . 1 1 66 66 ASP N N 66 120.683 120.683 120.120 0.563 19354 12299 1 18 . 1 1 66 66 ASP HA H 66 4.482 4.482 4.411 0.071 19354 12300 1 18 . 1 1 66 66 ASP C C 66 179.095 179.095 178.794 0.301 19354 12301 1 18 . 1 1 66 66 ASP CA C 66 56.623 56.623 57.672 -1.049 19354 12302 1 18 . 1 1 66 66 ASP CB C 66 39.883 39.883 41.185 -1.302 19354 12303 1 18 . 1 1 66 66 ASP H H 66 7.834 7.834 8.134 -0.300 19354 12304 1 18 . 1 1 67 67 TYR N N 67 116.512 116.512 120.231 -3.719 19354 12305 1 18 . 1 1 67 67 TYR HA H 67 3.984 3.984 4.141 -0.157 19354 12306 1 18 . 1 1 67 67 TYR C C 67 176.554 176.554 177.709 -1.155 19354 12307 1 18 . 1 1 67 67 TYR CA C 67 62.142 62.142 60.504 1.639 19354 12308 1 18 . 1 1 67 67 TYR CB C 67 37.436 37.436 38.216 -0.780 19354 12309 1 18 . 1 1 67 67 TYR H H 67 8.132 8.132 7.676 0.456 19354 12310 1 18 . 1 1 68 68 TYR N N 68 118.786 118.786 120.282 -1.496 19354 12311 1 18 . 1 1 68 68 TYR HA H 68 3.632 3.632 3.080 0.552 19354 12312 1 18 . 1 1 68 68 TYR C C 68 177.915 177.915 177.633 0.282 19354 12313 1 18 . 1 1 68 68 TYR CA C 68 61.395 61.395 61.594 -0.199 19354 12314 1 18 . 1 1 68 68 TYR CB C 68 37.345 37.345 37.190 0.155 19354 12315 1 18 . 1 1 68 68 TYR H H 68 7.558 7.558 8.136 -0.578 19354 12316 1 18 . 1 1 69 69 ALA N N 69 120.715 120.715 121.605 -0.890 19354 12317 1 18 . 1 1 69 69 ALA HA H 69 3.935 3.935 3.875 0.060 19354 12318 1 18 . 1 1 69 69 ALA C C 69 179.390 179.390 178.904 0.486 19354 12319 1 18 . 1 1 69 69 ALA CA C 69 54.015 54.015 54.652 -0.637 19354 12320 1 18 . 1 1 69 69 ALA CB C 69 18.529 18.529 18.111 0.417 19354 12321 1 18 . 1 1 69 69 ALA H H 69 7.453 7.453 7.704 -0.251 19354 12322 1 18 . 1 1 70 70 LEU N N 70 117.212 117.212 119.097 -1.885 19354 12323 1 18 . 1 1 70 70 LEU HA H 70 3.765 3.765 3.920 -0.155 19354 12324 1 18 . 1 1 70 70 LEU C C 70 177.280 177.280 178.045 -0.765 19354 12325 1 18 . 1 1 70 70 LEU CA C 70 56.634 56.634 56.922 -0.288 19354 12326 1 18 . 1 1 70 70 LEU CB C 70 41.045 41.045 41.865 -0.820 19354 12327 1 18 . 1 1 70 70 LEU H H 70 7.764 7.764 8.049 -0.285 19354 12328 1 18 . 1 1 71 71 LYS N N 71 118.756 118.756 118.902 -0.146 19354 12329 1 18 . 1 1 71 71 LYS HA H 71 3.039 3.039 3.341 -0.302 19354 12330 1 18 . 1 1 71 71 LYS C C 71 177.121 177.121 177.806 -0.685 19354 12331 1 18 . 1 1 71 71 LYS CA C 71 58.865 58.865 58.696 0.170 19354 12332 1 18 . 1 1 71 71 LYS CB C 71 31.247 31.247 30.929 0.318 19354 12333 1 18 . 1 1 71 71 LYS H H 71 7.001 7.001 7.856 -0.855 19354 12334 1 18 . 1 1 72 72 HIS N N 72 113.331 113.331 118.074 -4.743 19354 12335 1 18 . 1 1 72 72 HIS HA H 72 4.304 4.304 4.291 0.013 19354 12336 1 18 . 1 1 72 72 HIS C C 72 174.232 174.232 176.074 -1.842 19354 12337 1 18 . 1 1 72 72 HIS CA C 72 57.245 57.245 58.611 -1.366 19354 12338 1 18 . 1 1 72 72 HIS CB C 72 30.221 30.221 30.383 -0.162 19354 12339 1 18 . 1 1 72 72 HIS H H 72 6.973 6.973 7.574 -0.601 19354 12340 1 18 . 1 1 73 73 VAL N N 73 121.486 121.486 120.482 1.004 19354 12341 1 18 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.485 0.046 19354 12342 1 18 . 1 1 73 73 VAL CA C 73 59.159 59.159 59.705 -0.546 19354 12343 1 18 . 1 1 73 73 VAL CB C 73 30.604 30.604 33.124 -2.520 19354 12344 1 18 . 1 1 73 73 VAL H H 73 7.821 7.821 8.021 -0.200 19354 12345 1 18 . 1 1 74 74 PRO HA H 74 4.070 4.070 4.546 -0.476 19354 12346 1 18 . 1 1 74 74 PRO CA C 74 66.637 66.637 65.164 1.473 19354 12347 1 18 . 1 1 74 74 PRO CB C 74 32.212 32.212 32.057 0.155 19354 12348 1 18 . 1 1 75 75 LYS N N 75 116.832 116.832 118.038 -1.206 19354 12349 1 18 . 1 1 75 75 LYS HA H 75 4.099 4.099 4.129 -0.030 19354 12350 1 18 . 1 1 75 75 LYS C C 75 180.048 180.048 177.150 2.898 19354 12351 1 18 . 1 1 75 75 LYS CA C 75 59.398 59.398 58.835 0.563 19354 12352 1 18 . 1 1 75 75 LYS CB C 75 31.296 31.296 31.446 -0.150 19354 12353 1 18 . 1 1 75 75 LYS H H 75 9.234 9.234 8.657 0.577 19354 12354 1 18 . 1 1 76 76 CYS N N 76 116.333 116.333 117.475 -1.142 19354 12355 1 18 . 1 1 76 76 CYS HA H 76 4.320 4.320 4.686 -0.366 19354 12356 1 18 . 1 1 76 76 CYS C C 76 175.012 175.012 175.963 -0.951 19354 12357 1 18 . 1 1 76 76 CYS CA C 76 58.297 58.297 60.001 -1.704 19354 12358 1 18 . 1 1 76 76 CYS CB C 76 38.803 38.803 28.677 10.127 19354 12359 1 18 . 1 1 76 76 CYS H H 76 7.496 7.496 7.712 -0.216 19354 12360 1 18 . 1 1 77 77 TRP N N 77 119.987 119.987 123.218 -3.231 19354 12361 1 18 . 1 1 77 77 TRP HA H 77 4.452 4.452 4.251 0.201 19354 12362 1 18 . 1 1 77 77 TRP C C 77 177.462 177.462 177.771 -0.309 19354 12363 1 18 . 1 1 77 77 TRP CA C 77 58.821 58.821 59.973 -1.152 19354 12364 1 18 . 1 1 77 77 TRP CB C 77 30.425 30.425 29.326 1.099 19354 12365 1 18 . 1 1 77 77 TRP H H 77 8.254 8.254 8.742 -0.488 19354 12366 1 18 . 1 1 78 78 ALA N N 78 116.093 116.093 119.378 -3.285 19354 12367 1 18 . 1 1 78 78 ALA HA H 78 3.736 3.736 3.451 0.285 19354 12368 1 18 . 1 1 78 78 ALA C C 78 178.845 178.845 178.667 0.178 19354 12369 1 18 . 1 1 78 78 ALA CA C 78 54.188 54.188 53.805 0.383 19354 12370 1 18 . 1 1 78 78 ALA CB C 78 18.323 18.323 17.746 0.577 19354 12371 1 18 . 1 1 78 78 ALA H H 78 7.968 7.968 7.787 0.181 19354 12372 1 18 . 1 1 79 79 ALA N N 79 116.351 116.351 120.570 -4.219 19354 12373 1 18 . 1 1 79 79 ALA HA H 79 4.147 4.147 4.195 -0.048 19354 12374 1 18 . 1 1 79 79 ALA C C 79 178.414 178.414 177.994 0.420 19354 12375 1 18 . 1 1 79 79 ALA CA C 79 53.243 53.243 54.038 -0.795 19354 12376 1 18 . 1 1 79 79 ALA CB C 79 19.832 19.832 19.255 0.577 19354 12377 1 18 . 1 1 79 79 ALA H H 79 6.929 6.929 7.435 -0.506 19354 12378 1 18 . 1 1 80 80 ILE N N 80 115.150 115.150 117.432 -2.282 19354 12379 1 18 . 1 1 80 80 ILE HA H 80 4.218 4.218 4.252 -0.034 19354 12380 1 18 . 1 1 80 80 ILE C C 80 176.350 176.350 176.314 0.036 19354 12381 1 18 . 1 1 80 80 ILE CA C 80 62.069 62.069 60.044 2.025 19354 12382 1 18 . 1 1 80 80 ILE CB C 80 39.375 39.375 38.049 1.326 19354 12383 1 18 . 1 1 80 80 ILE H H 80 8.695 8.695 7.559 1.136 19354 12384 1 18 . 1 1 81 81 GLN N N 81 122.564 122.564 121.556 1.008 19354 12385 1 18 . 1 1 81 81 GLN HA H 81 3.332 3.332 3.985 -0.653 19354 12386 1 18 . 1 1 81 81 GLN C C 81 173.470 173.470 175.375 -1.905 19354 12387 1 18 . 1 1 81 81 GLN CA C 81 61.829 61.829 61.021 0.808 19354 12388 1 18 . 1 1 81 81 GLN CB C 81 25.973 25.973 26.840 -0.867 19354 12389 1 18 . 1 1 81 81 GLN H H 81 7.315 7.315 7.447 -0.132 19354 12390 1 18 . 1 1 82 82 PRO HA H 82 4.076 4.076 4.327 -0.251 19354 12391 1 18 . 1 1 82 82 PRO CA C 82 65.894 65.894 64.842 1.052 19354 12392 1 18 . 1 1 82 82 PRO CB C 82 30.481 30.481 31.701 -1.220 19354 12393 1 18 . 1 1 83 83 PHE N N 83 119.137 119.137 118.387 0.750 19354 12394 1 18 . 1 1 83 83 PHE HA H 83 4.289 4.289 4.437 -0.148 19354 12395 1 18 . 1 1 83 83 PHE C C 83 175.919 175.919 176.314 -0.395 19354 12396 1 18 . 1 1 83 83 PHE CA C 83 59.712 59.712 56.896 2.816 19354 12397 1 18 . 1 1 83 83 PHE CB C 83 39.329 39.329 38.847 0.482 19354 12398 1 18 . 1 1 83 83 PHE H H 83 6.892 6.892 7.938 -1.046 19354 12399 1 18 . 1 1 84 84 LEU N N 84 116.693 116.693 119.797 -3.104 19354 12400 1 18 . 1 1 84 84 LEU HA H 84 3.611 3.611 3.561 0.050 19354 12401 1 18 . 1 1 84 84 LEU C C 84 180.297 180.297 178.313 1.984 19354 12402 1 18 . 1 1 84 84 LEU CA C 84 57.952 57.952 57.773 0.179 19354 12403 1 18 . 1 1 84 84 LEU CB C 84 41.645 41.645 40.941 0.704 19354 12404 1 18 . 1 1 84 84 LEU H H 84 8.589 8.589 7.946 0.643 19354 12405 1 18 . 1 1 85 85 CYS N N 85 115.085 115.085 114.828 0.257 19354 12406 1 18 . 1 1 85 85 CYS HA H 85 4.127 4.127 4.315 -0.188 19354 12407 1 18 . 1 1 85 85 CYS C C 85 175.556 175.556 176.286 -0.730 19354 12408 1 18 . 1 1 85 85 CYS CA C 85 57.678 57.678 60.118 -2.440 19354 12409 1 18 . 1 1 85 85 CYS CB C 85 39.396 39.396 27.238 12.158 19354 12410 1 18 . 1 1 85 85 CYS H H 85 8.001 8.001 7.395 0.606 19354 12411 1 18 . 1 1 86 86 ALA N N 86 121.743 121.743 121.917 -0.174 19354 12412 1 18 . 1 1 86 86 ALA HA H 86 3.922 3.922 4.298 -0.376 19354 12413 1 18 . 1 1 86 86 ALA C C 86 177.745 177.745 177.254 0.491 19354 12414 1 18 . 1 1 86 86 ALA CA C 86 54.306 54.306 53.826 0.480 19354 12415 1 18 . 1 1 86 86 ALA CB C 86 18.778 18.778 18.427 0.350 19354 12416 1 18 . 1 1 86 86 ALA H H 86 7.671 7.671 7.611 0.060 19354 12417 1 18 . 1 1 87 87 VAL N N 87 115.667 115.667 116.403 -0.736 19354 12418 1 18 . 1 1 87 87 VAL HA H 87 3.735 3.735 3.556 0.179 19354 12419 1 18 . 1 1 87 87 VAL C C 87 175.806 175.806 175.092 0.714 19354 12420 1 18 . 1 1 87 87 VAL CA C 87 64.622 64.622 62.757 1.865 19354 12421 1 18 . 1 1 87 87 VAL CB C 87 32.936 32.936 31.785 1.151 19354 12422 1 18 . 1 1 87 87 VAL H H 87 7.460 7.460 7.164 0.296 19354 12423 1 18 . 1 1 88 88 PHE N N 88 115.306 115.306 116.480 -1.174 19354 12424 1 18 . 1 1 88 88 PHE HA H 88 4.048 4.048 4.605 -0.557 19354 12425 1 18 . 1 1 88 88 PHE C C 88 176.192 176.192 175.266 0.926 19354 12426 1 18 . 1 1 88 88 PHE CA C 88 60.420 60.420 58.254 2.166 19354 12427 1 18 . 1 1 88 88 PHE CB C 88 40.182 40.182 40.439 -0.257 19354 12428 1 18 . 1 1 88 88 PHE H H 88 8.930 8.930 6.994 1.936 19354 12429 1 18 . 1 1 89 89 LYS N N 89 115.470 115.470 119.201 -3.731 19354 12430 1 18 . 1 1 89 89 LYS HA H 89 4.816 4.816 4.825 -0.009 19354 12431 1 18 . 1 1 89 89 LYS C C 89 184.176 184.176 173.579 10.597 19354 12432 1 18 . 1 1 89 89 LYS CA C 89 53.428 53.428 53.429 -0.001 19354 12433 1 18 . 1 1 89 89 LYS CB C 89 33.274 33.274 32.309 0.965 19354 12434 1 18 . 1 1 89 89 LYS H H 89 7.802 7.802 7.704 0.098 19354 12435 1 18 . 1 1 90 90 PRO HA H 90 4.250 4.250 4.216 0.034 19354 12436 1 18 . 1 1 90 90 PRO CA C 90 62.682 62.682 62.347 0.335 19354 12437 1 18 . 1 1 90 90 PRO CB C 90 32.358 32.358 32.580 -0.222 19354 12438 1 18 . 1 1 91 91 LYS N N 91 122.391 122.391 121.253 1.138 19354 12439 1 18 . 1 1 91 91 LYS HA H 91 3.039 3.039 2.993 0.046 19354 12440 1 18 . 1 1 91 91 LYS C C 91 173.356 173.356 175.247 -1.891 19354 12441 1 18 . 1 1 91 91 LYS CA C 91 58.027 58.027 55.722 2.305 19354 12442 1 18 . 1 1 91 91 LYS CB C 91 31.285 31.285 31.779 -0.493 19354 12443 1 18 . 1 1 91 91 LYS H H 91 8.537 8.537 8.212 0.325 19354 12444 1 18 . 1 1 92 92 CYS N N 92 127.562 127.562 126.351 1.211 19354 12445 1 18 . 1 1 92 92 CYS HA H 92 5.391 5.391 4.728 0.663 19354 12446 1 18 . 1 1 92 92 CYS C C 92 171.655 171.655 173.683 -2.028 19354 12447 1 18 . 1 1 92 92 CYS CA C 92 53.804 53.804 57.948 -4.144 19354 12448 1 18 . 1 1 92 92 CYS CB C 92 41.219 41.219 26.768 14.451 19354 12449 1 18 . 1 1 92 92 CYS H H 92 7.037 7.037 8.127 -1.091 19354 12450 1 18 . 1 1 93 93 GLU N N 93 124.483 124.483 127.544 -3.061 19354 12451 1 18 . 1 1 93 93 GLU HA H 93 4.492 4.492 4.686 -0.194 19354 12452 1 18 . 1 1 93 93 GLU C C 93 173.371 173.371 174.595 -1.224 19354 12453 1 18 . 1 1 93 93 GLU CA C 93 54.874 54.874 54.419 0.455 19354 12454 1 18 . 1 1 93 93 GLU CB C 93 34.630 34.630 32.383 2.247 19354 12455 1 18 . 1 1 93 93 GLU H H 93 9.401 9.401 8.481 0.920 19354 12456 1 18 . 1 1 94 94 LYS N N 94 122.694 122.694 120.603 2.091 19354 12457 1 18 . 1 1 94 94 LYS HA H 94 4.581 4.581 4.669 -0.088 19354 12458 1 18 . 1 1 94 94 LYS C C 94 176.509 176.509 176.359 0.150 19354 12459 1 18 . 1 1 94 94 LYS CA C 94 55.856 55.856 55.367 0.489 19354 12460 1 18 . 1 1 94 94 LYS CB C 94 31.809 31.809 33.096 -1.287 19354 12461 1 18 . 1 1 94 94 LYS H H 94 8.526 8.526 8.504 0.022 19354 12462 1 18 . 1 1 95 95 ILE N N 95 128.382 128.382 127.282 1.100 19354 12463 1 18 . 1 1 95 95 ILE HA H 95 4.049 4.049 4.054 -0.005 19354 12464 1 18 . 1 1 95 95 ILE C C 95 176.337 176.337 175.874 0.463 19354 12465 1 18 . 1 1 95 95 ILE CA C 95 60.847 60.847 60.493 0.354 19354 12466 1 18 . 1 1 95 95 ILE CB C 95 39.625 39.625 37.919 1.706 19354 12467 1 18 . 1 1 95 95 ILE H H 95 9.001 9.001 8.695 0.306 19354 12468 1 18 . 1 1 96 96 ASN N N 96 127.596 127.596 127.771 -0.175 19354 12469 1 18 . 1 1 96 96 ASN HA H 96 4.212 4.212 4.404 -0.192 19354 12470 1 18 . 1 1 96 96 ASN C C 96 175.496 175.496 175.236 0.260 19354 12471 1 18 . 1 1 96 96 ASN CA C 96 53.970 53.970 53.788 0.182 19354 12472 1 18 . 1 1 96 96 ASN CB C 96 37.238 37.238 37.915 -0.677 19354 12473 1 18 . 1 1 96 96 ASN H H 96 9.474 9.474 9.311 0.163 19354 12474 1 18 . 1 1 97 97 GLY N N 97 101.656 101.656 103.020 -1.364 19354 12475 1 18 . 1 1 97 97 GLY C C 97 173.651 173.651 173.478 0.173 19354 12476 1 18 . 1 1 97 97 GLY CA C 97 45.167 45.167 44.881 0.286 19354 12477 1 18 . 1 1 97 97 GLY H H 97 8.476 8.476 7.939 0.537 19354 12478 1 18 . 1 1 98 98 GLU N N 98 120.042 120.042 120.262 -0.220 19354 12479 1 18 . 1 1 98 98 GLU HA H 98 4.587 4.587 4.474 0.113 19354 12480 1 18 . 1 1 98 98 GLU C C 98 174.422 174.422 175.072 -0.650 19354 12481 1 18 . 1 1 98 98 GLU CA C 98 54.294 54.294 54.312 -0.018 19354 12482 1 18 . 1 1 98 98 GLU CB C 98 32.934 32.934 31.555 1.379 19354 12483 1 18 . 1 1 98 98 GLU H H 98 7.591 7.591 7.834 -0.243 19354 12484 1 18 . 1 1 99 99 ASP N N 99 126.603 126.603 127.913 -1.310 19354 12485 1 18 . 1 1 99 99 ASP HA H 99 4.340 4.340 4.547 -0.207 19354 12486 1 18 . 1 1 99 99 ASP C C 99 176.214 176.214 175.498 0.716 19354 12487 1 18 . 1 1 99 99 ASP CA C 99 55.408 55.408 55.867 -0.459 19354 12488 1 18 . 1 1 99 99 ASP CB C 99 41.629 41.629 40.387 1.242 19354 12489 1 18 . 1 1 99 99 ASP H H 99 8.489 8.489 8.795 -0.306 19354 12490 1 18 . 1 1 100 100 MET N N 100 121.977 121.977 121.425 0.552 19354 12491 1 18 . 1 1 100 100 MET HA H 100 4.911 4.911 5.442 -0.531 19354 12492 1 18 . 1 1 100 100 MET C C 100 172.900 172.900 174.548 -1.648 19354 12493 1 18 . 1 1 100 100 MET CA C 100 53.649 53.649 53.776 -0.127 19354 12494 1 18 . 1 1 100 100 MET CB C 100 35.529 35.529 36.963 -1.434 19354 12495 1 18 . 1 1 100 100 MET H H 100 8.853 8.853 8.842 0.011 19354 12496 1 18 . 1 1 101 101 VAL N N 101 119.963 119.963 113.697 6.266 19354 12497 1 18 . 1 1 101 101 VAL HA H 101 4.814 4.814 4.339 0.475 19354 12498 1 18 . 1 1 101 101 VAL C C 101 172.991 172.991 174.058 -1.067 19354 12499 1 18 . 1 1 101 101 VAL CA C 101 58.203 58.203 59.033 -0.830 19354 12500 1 18 . 1 1 101 101 VAL CB C 101 34.629 34.629 34.187 0.442 19354 12501 1 18 . 1 1 101 101 VAL H H 101 8.964 8.964 8.089 0.875 19354 12502 1 18 . 1 1 102 102 TYR N N 102 125.849 125.849 121.215 4.634 19354 12503 1 18 . 1 1 102 102 TYR HA H 102 4.444 4.444 4.790 -0.346 19354 12504 1 18 . 1 1 102 102 TYR C C 102 176.464 176.464 175.816 0.648 19354 12505 1 18 . 1 1 102 102 TYR CA C 102 57.549 57.549 56.609 0.939 19354 12506 1 18 . 1 1 102 102 TYR CB C 102 38.274 38.274 38.319 -0.045 19354 12507 1 18 . 1 1 102 102 TYR H H 102 8.137 8.137 7.746 0.391 19354 12508 1 18 . 1 1 103 103 LEU N N 103 123.151 123.151 126.272 -3.121 19354 12509 1 18 . 1 1 103 103 LEU HA H 103 4.683 4.683 4.456 0.227 19354 12510 1 18 . 1 1 103 103 LEU CA C 103 52.426 52.426 54.335 -1.909 19354 12511 1 18 . 1 1 103 103 LEU CB C 103 42.038 42.038 42.034 0.004 19354 12512 1 18 . 1 1 103 103 LEU H H 103 8.308 8.308 8.307 0.001 19354 12513 1 18 . 1 1 104 104 PRO HA H 104 4.678 4.678 4.613 0.065 19354 12514 1 18 . 1 1 104 104 PRO CA C 104 61.704 61.704 62.820 -1.116 19354 12515 1 18 . 1 1 104 104 PRO CB C 104 32.020 32.020 32.698 -0.678 19354 12516 1 18 . 1 1 105 105 SER N N 105 113.955 113.955 115.810 -1.855 19354 12517 1 18 . 1 1 105 105 SER HA H 105 4.632 4.632 4.596 0.036 19354 12518 1 18 . 1 1 105 105 SER C C 105 175.473 175.473 176.227 -0.754 19354 12519 1 18 . 1 1 105 105 SER CA C 105 56.324 56.324 57.136 -0.812 19354 12520 1 18 . 1 1 105 105 SER CB C 105 65.193 65.193 64.722 0.471 19354 12521 1 18 . 1 1 105 105 SER H H 105 7.668 7.668 8.272 -0.604 19354 12522 1 18 . 1 1 106 106 TYR N N 106 122.582 122.582 121.665 0.917 19354 12523 1 18 . 1 1 106 106 TYR HA H 106 3.724 3.724 4.034 -0.310 19354 12524 1 18 . 1 1 106 106 TYR C C 106 178.116 178.116 177.466 0.650 19354 12525 1 18 . 1 1 106 106 TYR CA C 106 62.057 62.057 60.465 1.592 19354 12526 1 18 . 1 1 106 106 TYR CB C 106 37.925 37.925 37.467 0.458 19354 12527 1 18 . 1 1 106 106 TYR H H 106 8.492 8.492 9.305 -0.813 19354 12528 1 18 . 1 1 107 107 GLU N N 107 118.362 118.362 119.356 -0.994 19354 12529 1 18 . 1 1 107 107 GLU HA H 107 3.846 3.846 3.557 0.289 19354 12530 1 18 . 1 1 107 107 GLU C C 107 177.421 177.421 178.700 -1.279 19354 12531 1 18 . 1 1 107 107 GLU CA C 107 58.867 58.867 59.200 -0.333 19354 12532 1 18 . 1 1 107 107 GLU CB C 107 28.969 28.969 28.892 0.077 19354 12533 1 18 . 1 1 107 107 GLU H H 107 8.503 8.503 8.037 0.466 19354 12534 1 18 . 1 1 108 108 MET N N 108 116.221 116.221 118.001 -1.780 19354 12535 1 18 . 1 1 108 108 MET HA H 108 3.708 3.708 3.994 -0.286 19354 12536 1 18 . 1 1 108 108 MET C C 108 176.804 176.804 177.948 -1.144 19354 12537 1 18 . 1 1 108 108 MET CA C 108 58.648 58.648 58.196 0.452 19354 12538 1 18 . 1 1 108 108 MET CB C 108 33.058 33.058 31.558 1.500 19354 12539 1 18 . 1 1 108 108 MET H H 108 7.409 7.409 7.842 -0.433 19354 12540 1 18 . 1 1 109 109 CYS N N 109 114.131 114.131 116.882 -2.751 19354 12541 1 18 . 1 1 109 109 CYS HA H 109 3.857 3.857 3.747 0.110 19354 12542 1 18 . 1 1 109 109 CYS C C 109 178.047 178.047 176.493 1.554 19354 12543 1 18 . 1 1 109 109 CYS CA C 109 58.737 58.737 60.159 -1.422 19354 12544 1 18 . 1 1 109 109 CYS CB C 109 35.006 35.006 26.087 8.919 19354 12545 1 18 . 1 1 109 109 CYS H H 109 6.817 6.817 7.709 -0.892 19354 12546 1 18 . 1 1 110 110 ARG N N 110 124.629 124.629 121.345 3.284 19354 12547 1 18 . 1 1 110 110 ARG HA H 110 3.376 3.376 4.021 -0.645 19354 12548 1 18 . 1 1 110 110 ARG C C 110 179.435 179.435 178.043 1.392 19354 12549 1 18 . 1 1 110 110 ARG CA C 110 59.641 59.641 59.143 0.498 19354 12550 1 18 . 1 1 110 110 ARG CB C 110 29.273 29.273 29.558 -0.285 19354 12551 1 18 . 1 1 110 110 ARG H H 110 8.885 8.885 7.692 1.193 19354 12552 1 18 . 1 1 111 111 ILE N N 111 113.379 113.379 116.648 -3.269 19354 12553 1 18 . 1 1 111 111 ILE HA H 111 3.796 3.796 3.793 0.003 19354 12554 1 18 . 1 1 111 111 ILE C C 111 175.624 175.624 177.208 -1.584 19354 12555 1 18 . 1 1 111 111 ILE CA C 111 63.811 63.811 63.835 -0.024 19354 12556 1 18 . 1 1 111 111 ILE CB C 111 38.229 38.229 36.861 1.368 19354 12557 1 18 . 1 1 111 111 ILE H H 111 7.422 7.422 7.771 -0.349 19354 12558 1 18 . 1 1 112 112 THR N N 112 109.403 109.403 108.412 0.991 19354 12559 1 18 . 1 1 112 112 THR HA H 112 3.889 3.889 4.286 -0.397 19354 12560 1 18 . 1 1 112 112 THR C C 112 175.798 175.798 176.087 -0.289 19354 12561 1 18 . 1 1 112 112 THR CA C 112 62.856 62.856 63.986 -1.130 19354 12562 1 18 . 1 1 112 112 THR CB C 112 70.168 70.168 69.500 0.668 19354 12563 1 18 . 1 1 112 112 THR H H 112 7.574 7.574 7.420 0.154 19354 12564 1 18 . 1 1 113 113 MET N N 113 119.638 119.638 121.529 -1.891 19354 12565 1 18 . 1 1 113 113 MET HA H 113 3.541 3.541 4.527 -0.986 19354 12566 1 18 . 1 1 113 113 MET C C 113 177.174 177.174 177.611 -0.437 19354 12567 1 18 . 1 1 113 113 MET CA C 113 60.235 60.235 58.753 1.482 19354 12568 1 18 . 1 1 113 113 MET CB C 113 32.338 32.338 32.953 -0.615 19354 12569 1 18 . 1 1 113 113 MET H H 113 7.152 7.152 7.815 -0.663 19354 12570 1 18 . 1 1 114 114 GLU N N 114 117.224 117.224 119.027 -1.803 19354 12571 1 18 . 1 1 114 114 GLU HA H 114 4.114 4.114 4.168 -0.054 19354 12572 1 18 . 1 1 114 114 GLU CA C 114 60.422 60.422 59.804 0.618 19354 12573 1 18 . 1 1 114 114 GLU CB C 114 26.103 26.103 29.008 -2.905 19354 12574 1 18 . 1 1 114 114 GLU H H 114 8.580 8.580 7.709 0.871 19354 12575 1 18 . 1 1 115 115 PRO HA H 115 4.304 4.304 4.368 -0.064 19354 12576 1 18 . 1 1 115 115 PRO CA C 115 65.128 65.128 64.231 0.897 19354 12577 1 18 . 1 1 115 115 PRO CB C 115 31.141 31.141 31.934 -0.793 19354 12578 1 18 . 1 1 116 116 CYS N N 116 111.879 111.879 120.498 -8.619 19354 12579 1 18 . 1 1 116 116 CYS HA H 116 4.679 4.679 4.894 -0.215 19354 12580 1 18 . 1 1 116 116 CYS C C 116 174.808 174.808 175.164 -0.356 19354 12581 1 18 . 1 1 116 116 CYS CA C 116 54.060 54.060 57.709 -3.650 19354 12582 1 18 . 1 1 116 116 CYS CB C 116 42.879 42.879 26.161 16.718 19354 12583 1 18 . 1 1 116 116 CYS H H 116 7.208 7.208 8.156 -0.948 19354 12584 1 18 . 1 1 117 117 ARG N N 117 123.750 123.750 125.003 -1.253 19354 12585 1 18 . 1 1 117 117 ARG HA H 117 3.161 3.161 4.289 -1.128 19354 12586 1 18 . 1 1 117 117 ARG C C 117 178.210 178.210 176.963 1.247 19354 12587 1 18 . 1 1 117 117 ARG CA C 117 59.743 59.743 58.724 1.019 19354 12588 1 18 . 1 1 117 117 ARG CB C 117 29.486 29.486 30.556 -1.070 19354 12589 1 18 . 1 1 117 117 ARG H H 117 7.436 7.436 8.554 -1.118 19354 12590 1 18 . 1 1 118 118 ILE N N 118 116.384 116.384 116.964 -0.580 19354 12591 1 18 . 1 1 118 118 ILE HA H 118 4.000 4.000 4.074 -0.074 19354 12592 1 18 . 1 1 118 118 ILE C C 118 176.577 176.577 176.370 0.207 19354 12593 1 18 . 1 1 118 118 ILE CA C 118 63.166 63.166 62.575 0.591 19354 12594 1 18 . 1 1 118 118 ILE CB C 118 37.781 37.781 36.835 0.946 19354 12595 1 18 . 1 1 118 118 ILE H H 118 8.130 8.130 8.405 -0.275 19354 12596 1 18 . 1 1 119 119 LEU N N 119 119.738 119.738 117.835 1.903 19354 12597 1 18 . 1 1 119 119 LEU HA H 119 4.540 4.540 4.423 0.117 19354 12598 1 18 . 1 1 119 119 LEU C C 119 178.346 178.346 177.179 1.167 19354 12599 1 18 . 1 1 119 119 LEU CA C 119 54.697 54.697 53.895 0.801 19354 12600 1 18 . 1 1 119 119 LEU CB C 119 42.872 42.872 40.855 2.017 19354 12601 1 18 . 1 1 119 119 LEU H H 119 7.771 7.771 7.493 0.278 19354 12602 1 18 . 1 1 120 120 TYR N N 120 121.945 121.945 117.281 4.664 19354 12603 1 18 . 1 1 120 120 TYR HA H 120 4.125 4.125 4.210 -0.085 19354 12604 1 18 . 1 1 120 120 TYR C C 120 176.169 176.169 174.932 1.237 19354 12605 1 18 . 1 1 120 120 TYR CA C 120 59.682 59.682 58.783 0.898 19354 12606 1 18 . 1 1 120 120 TYR CB C 120 37.180 37.180 38.126 -0.946 19354 12607 1 18 . 1 1 120 120 TYR H H 120 7.886 7.886 8.205 -0.319 19354 12608 1 18 . 1 1 121 121 ASN N N 121 115.992 115.992 112.023 3.969 19354 12609 1 18 . 1 1 121 121 ASN HA H 121 4.885 4.885 4.546 0.339 19354 12610 1 18 . 1 1 121 121 ASN C C 121 175.612 175.612 175.133 0.479 19354 12611 1 18 . 1 1 121 121 ASN CA C 121 52.670 52.670 53.049 -0.379 19354 12612 1 18 . 1 1 121 121 ASN CB C 121 38.058 38.058 39.369 -1.311 19354 12613 1 18 . 1 1 121 121 ASN H H 121 8.228 8.228 7.300 0.928 19354 12614 1 18 . 1 1 122 122 THR N N 122 109.094 109.094 119.114 -10.020 19354 12615 1 18 . 1 1 122 122 THR HA H 122 4.682 4.682 4.295 0.387 19354 12616 1 18 . 1 1 122 122 THR C C 122 175.844 175.844 175.488 0.356 19354 12617 1 18 . 1 1 122 122 THR CA C 122 61.815 61.815 63.634 -1.819 19354 12618 1 18 . 1 1 122 122 THR CB C 122 72.484 72.484 69.347 3.137 19354 12619 1 18 . 1 1 122 122 THR H H 122 7.649 7.649 7.794 -0.145 19354 12620 1 18 . 1 1 123 123 THR N N 123 112.067 112.067 118.405 -6.338 19354 12621 1 18 . 1 1 123 123 THR HA H 123 4.026 4.026 4.407 -0.381 19354 12622 1 18 . 1 1 123 123 THR C C 123 175.033 175.033 174.246 0.787 19354 12623 1 18 . 1 1 123 123 THR CA C 123 63.174 63.174 61.162 2.012 19354 12624 1 18 . 1 1 123 123 THR CB C 123 68.529 68.529 67.905 0.624 19354 12625 1 18 . 1 1 123 123 THR H H 123 8.261 8.261 8.625 -0.364 19354 12626 1 18 . 1 1 124 124 PHE N N 124 118.139 118.139 123.375 -5.236 19354 12627 1 18 . 1 1 124 124 PHE HA H 124 4.153 4.153 4.343 -0.190 19354 12628 1 18 . 1 1 124 124 PHE C C 124 175.398 175.398 174.848 0.550 19354 12629 1 18 . 1 1 124 124 PHE CA C 124 59.890 59.890 59.177 0.713 19354 12630 1 18 . 1 1 124 124 PHE CB C 124 39.668 39.668 39.956 -0.288 19354 12631 1 18 . 1 1 124 124 PHE H H 124 7.764 7.764 8.143 -0.379 19354 12632 1 18 . 1 1 125 125 PHE N N 125 118.447 118.447 116.697 1.750 19354 12633 1 18 . 1 1 125 125 PHE HA H 125 4.662 4.662 4.784 -0.122 19354 12634 1 18 . 1 1 125 125 PHE CA C 125 56.245 56.245 55.190 1.055 19354 12635 1 18 . 1 1 125 125 PHE CB C 125 38.810 38.810 38.730 0.080 19354 12636 1 18 . 1 1 125 125 PHE H H 125 7.670 7.670 7.823 -0.153 19354 12637 1 18 . 1 1 126 126 PRO HA H 126 4.398 4.398 4.459 -0.061 19354 12638 1 18 . 1 1 126 126 PRO CA C 126 62.432 62.432 64.029 -1.597 19354 12639 1 18 . 1 1 126 126 PRO CB C 126 32.670 32.670 32.255 0.415 19354 12640 1 18 . 1 1 127 127 LYS N N 127 118.753 118.753 120.260 -1.507 19354 12641 1 18 . 1 1 127 127 LYS HA H 127 3.580 3.580 4.283 -0.703 19354 12642 1 18 . 1 1 127 127 LYS C C 127 177.977 177.977 178.458 -0.481 19354 12643 1 18 . 1 1 127 127 LYS CA C 127 60.279 60.279 59.465 0.814 19354 12644 1 18 . 1 1 127 127 LYS CB C 127 31.599 31.599 32.380 -0.781 19354 12645 1 18 . 1 1 127 127 LYS H H 127 8.565 8.565 8.658 -0.093 19354 12646 1 18 . 1 1 128 128 PHE N N 128 110.638 110.638 114.880 -4.242 19354 12647 1 18 . 1 1 128 128 PHE HA H 128 4.481 4.481 4.690 -0.209 19354 12648 1 18 . 1 1 128 128 PHE C C 128 173.946 173.946 175.833 -1.887 19354 12649 1 18 . 1 1 128 128 PHE CA C 128 57.841 57.841 59.190 -1.349 19354 12650 1 18 . 1 1 128 128 PHE CB C 128 36.807 36.807 38.510 -1.703 19354 12651 1 18 . 1 1 128 128 PHE H H 128 6.795 6.795 8.244 -1.449 19354 12652 1 18 . 1 1 129 129 LEU N N 129 119.653 119.653 121.019 -1.366 19354 12653 1 18 . 1 1 129 129 LEU HA H 129 4.710 4.710 3.889 0.821 19354 12654 1 18 . 1 1 129 129 LEU C C 129 175.398 175.398 177.563 -2.165 19354 12655 1 18 . 1 1 129 129 LEU CA C 129 53.169 53.169 55.269 -2.100 19354 12656 1 18 . 1 1 129 129 LEU CB C 129 44.901 44.901 41.989 2.912 19354 12657 1 18 . 1 1 129 129 LEU H H 129 7.204 7.204 7.325 -0.121 19354 12658 1 18 . 1 1 130 130 ARG N N 130 116.807 116.807 117.106 -0.299 19354 12659 1 18 . 1 1 130 130 ARG HA H 130 4.328 4.328 3.960 0.368 19354 12660 1 18 . 1 1 130 130 ARG C C 130 177.099 177.099 174.973 2.126 19354 12661 1 18 . 1 1 130 130 ARG CA C 130 55.250 55.250 57.164 -1.915 19354 12662 1 18 . 1 1 130 130 ARG CB C 130 30.355 30.355 28.183 2.172 19354 12663 1 18 . 1 1 130 130 ARG H H 130 7.090 7.090 7.762 -0.672 19354 12664 1 18 . 1 1 131 131 CYS N N 131 117.271 117.271 117.008 0.263 19354 12665 1 18 . 1 1 131 131 CYS HA H 131 4.588 4.588 4.667 -0.079 19354 12666 1 18 . 1 1 131 131 CYS C C 131 175.022 175.022 173.750 1.272 19354 12667 1 18 . 1 1 131 131 CYS CA C 131 54.449 54.449 57.653 -3.204 19354 12668 1 18 . 1 1 131 131 CYS CB C 131 34.958 34.958 30.252 4.706 19354 12669 1 18 . 1 1 131 131 CYS H H 131 8.210 8.210 8.014 0.196 19354 12670 1 18 . 1 1 132 132 ASN N N 132 120.232 120.232 123.015 -2.783 19354 12671 1 18 . 1 1 132 132 ASN HA H 132 4.811 4.811 4.760 0.051 19354 12672 1 18 . 1 1 132 132 ASN C C 132 175.080 175.080 175.024 0.056 19354 12673 1 18 . 1 1 132 132 ASN CA C 132 53.188 53.188 53.207 -0.019 19354 12674 1 18 . 1 1 132 132 ASN CB C 132 40.003 40.003 39.486 0.517 19354 12675 1 18 . 1 1 132 132 ASN H H 132 7.801 7.801 8.477 -0.676 19354 12676 1 18 . 1 1 133 133 GLU N N 133 123.435 123.435 121.902 1.533 19354 12677 1 18 . 1 1 133 133 GLU HA H 133 4.225 4.225 4.396 -0.171 19354 12678 1 18 . 1 1 133 133 GLU C C 133 176.447 176.447 177.134 -0.687 19354 12679 1 18 . 1 1 133 133 GLU CA C 133 57.928 57.928 57.146 0.782 19354 12680 1 18 . 1 1 133 133 GLU CB C 133 29.822 29.822 30.012 -0.190 19354 12681 1 18 . 1 1 133 133 GLU H H 133 9.086 9.086 8.755 0.331 19354 12682 1 18 . 1 1 134 134 THR N N 134 113.403 113.403 113.864 -0.461 19354 12683 1 18 . 1 1 134 134 THR HA H 134 3.964 3.964 4.082 -0.118 19354 12684 1 18 . 1 1 134 134 THR C C 134 174.853 174.853 175.646 -0.793 19354 12685 1 18 . 1 1 134 134 THR CA C 134 63.694 63.694 63.063 0.631 19354 12686 1 18 . 1 1 134 134 THR CB C 134 68.841 68.841 69.079 -0.238 19354 12687 1 18 . 1 1 134 134 THR H H 134 8.067 8.067 8.075 -0.008 19354 12688 1 18 . 1 1 135 135 LEU N N 135 121.377 121.377 121.224 0.153 19354 12689 1 18 . 1 1 135 135 LEU HA H 135 3.964 3.964 4.295 -0.331 19354 12690 1 18 . 1 1 135 135 LEU C C 135 176.215 176.215 176.821 -0.606 19354 12691 1 18 . 1 1 135 135 LEU CA C 135 55.656 55.656 55.536 0.120 19354 12692 1 18 . 1 1 135 135 LEU CB C 135 42.291 42.291 42.245 0.046 19354 12693 1 18 . 1 1 135 135 LEU H H 135 7.448 7.448 7.506 -0.058 19354 12694 1 18 . 1 1 136 136 PHE N N 136 117.704 117.704 117.965 -0.261 19354 12695 1 18 . 1 1 136 136 PHE HA H 136 5.202 5.202 4.881 0.321 19354 12696 1 18 . 1 1 136 136 PHE C C 136 179.412 179.412 174.962 4.450 19354 12697 1 18 . 1 1 136 136 PHE CA C 136 53.495 53.495 55.420 -1.925 19354 12698 1 18 . 1 1 136 136 PHE CB C 136 39.248 39.248 38.058 1.190 19354 12699 1 18 . 1 1 136 136 PHE H H 136 7.542 7.542 8.785 -1.243 19354 12700 1 18 . 1 1 137 137 PRO HA H 137 4.528 4.528 4.491 0.037 19354 12701 1 18 . 1 1 137 137 PRO CA C 137 62.949 62.949 63.925 -0.975 19354 12702 1 18 . 1 1 137 137 PRO CB C 137 32.242 32.242 32.188 0.054 19354 12703 1 18 . 1 1 138 138 THR N N 138 114.025 114.025 115.187 -1.162 19354 12704 1 18 . 1 1 138 138 THR HA H 138 4.324 4.324 4.443 -0.119 19354 12705 1 18 . 1 1 138 138 THR C C 138 174.175 174.175 174.245 -0.070 19354 12706 1 18 . 1 1 138 138 THR CA C 138 61.863 61.863 60.991 0.872 19354 12707 1 18 . 1 1 138 138 THR CB C 138 69.742 69.742 70.068 -0.326 19354 12708 1 18 . 1 1 138 138 THR H H 138 8.452 8.452 8.080 0.372 19354 12709 1 19 . 1 1 13 13 GLY N N 13 110.400 110.400 110.552 -0.152 19354 12710 1 19 . 1 1 13 13 GLY C C 13 173.560 173.560 172.915 0.645 19354 12711 1 19 . 1 1 13 13 GLY CA C 13 45.111 45.111 45.708 -0.597 19354 12712 1 19 . 1 1 13 13 GLY H H 13 8.335 8.335 8.028 0.307 19354 12713 1 19 . 1 1 14 14 LEU N N 14 121.222 121.222 125.676 -4.454 19354 12714 1 19 . 1 1 14 14 LEU HA H 14 4.378 4.378 4.699 -0.321 19354 12715 1 19 . 1 1 14 14 LEU C C 14 177.119 177.119 176.518 0.601 19354 12716 1 19 . 1 1 14 14 LEU CA C 14 54.838 54.838 54.105 0.733 19354 12717 1 19 . 1 1 14 14 LEU CB C 14 42.429 42.429 41.705 0.724 19354 12718 1 19 . 1 1 14 14 LEU H H 14 7.915 7.915 8.077 -0.162 19354 12719 1 19 . 1 1 15 15 VAL N N 15 123.222 123.222 125.914 -2.692 19354 12720 1 19 . 1 1 15 15 VAL HA H 15 4.335 4.335 3.920 0.415 19354 12721 1 19 . 1 1 15 15 VAL C C 15 175.602 175.602 174.623 0.979 19354 12722 1 19 . 1 1 15 15 VAL CA C 15 59.375 59.375 61.782 -2.407 19354 12723 1 19 . 1 1 15 15 VAL CB C 15 33.197 33.197 31.767 1.430 19354 12724 1 19 . 1 1 15 15 VAL H H 15 8.297 8.297 8.130 0.167 19354 12725 1 19 . 1 1 16 16 PRO HA H 16 4.379 4.379 4.420 -0.041 19354 12726 1 19 . 1 1 16 16 PRO CA C 16 62.925 62.925 63.218 -0.293 19354 12727 1 19 . 1 1 16 16 PRO CB C 16 32.043 32.043 32.529 -0.486 19354 12728 1 19 . 1 1 17 17 ARG N N 17 122.742 122.742 118.150 4.592 19354 12729 1 19 . 1 1 17 17 ARG HA H 17 4.219 4.219 4.359 -0.140 19354 12730 1 19 . 1 1 17 17 ARG C C 17 176.586 176.586 175.156 1.430 19354 12731 1 19 . 1 1 17 17 ARG CA C 17 55.479 55.479 55.660 -0.181 19354 12732 1 19 . 1 1 17 17 ARG CB C 17 30.889 30.889 32.994 -2.105 19354 12733 1 19 . 1 1 17 17 ARG H H 17 8.469 8.469 8.386 0.083 19354 12734 1 19 . 1 1 18 18 GLY N N 18 111.993 111.993 108.134 3.859 19354 12735 1 19 . 1 1 18 18 GLY C C 18 174.453 174.453 174.520 -0.067 19354 12736 1 19 . 1 1 18 18 GLY CA C 18 45.670 45.670 45.398 0.272 19354 12737 1 19 . 1 1 18 18 GLY H H 18 8.538 8.538 8.664 -0.126 19354 12738 1 19 . 1 1 19 19 SER HA H 19 4.318 4.318 4.099 0.218 19354 12739 1 19 . 1 1 19 19 SER CA C 19 58.480 58.480 60.570 -2.090 19354 12740 1 19 . 1 1 19 19 SER CB C 19 63.535 63.535 62.391 1.144 19354 12741 1 19 . 1 1 20 20 HIS N N 20 120.039 120.039 121.782 -1.743 19354 12742 1 19 . 1 1 20 20 HIS HA H 20 4.678 4.678 4.510 0.168 19354 12743 1 19 . 1 1 20 20 HIS C C 20 174.263 174.263 175.403 -1.140 19354 12744 1 19 . 1 1 20 20 HIS CA C 20 55.889 55.889 55.358 0.531 19354 12745 1 19 . 1 1 20 20 HIS CB C 20 32.027 32.027 28.188 3.839 19354 12746 1 19 . 1 1 20 20 HIS H H 20 8.344 8.344 7.814 0.530 19354 12747 1 19 . 1 1 21 21 MET N N 21 120.453 120.453 119.200 1.253 19354 12748 1 19 . 1 1 21 21 MET HA H 21 4.676 4.676 4.207 0.469 19354 12749 1 19 . 1 1 21 21 MET C C 21 174.808 174.808 174.737 0.071 19354 12750 1 19 . 1 1 21 21 MET CA C 21 54.232 54.232 56.253 -2.021 19354 12751 1 19 . 1 1 21 21 MET CB C 21 32.377 32.377 33.289 -0.912 19354 12752 1 19 . 1 1 21 21 MET H H 21 8.587 8.587 7.911 0.676 19354 12753 1 19 . 1 1 22 22 VAL N N 22 112.794 112.794 115.717 -2.923 19354 12754 1 19 . 1 1 22 22 VAL HA H 22 5.297 5.297 4.760 0.537 19354 12755 1 19 . 1 1 22 22 VAL C C 22 175.218 175.218 174.144 1.074 19354 12756 1 19 . 1 1 22 22 VAL CA C 22 57.885 57.885 60.028 -2.143 19354 12757 1 19 . 1 1 22 22 VAL CB C 22 35.895 35.895 35.704 0.191 19354 12758 1 19 . 1 1 22 22 VAL H H 22 7.805 7.805 8.064 -0.259 19354 12759 1 19 . 1 1 23 23 ARG N N 23 117.854 117.854 120.037 -2.183 19354 12760 1 19 . 1 1 23 23 ARG HA H 23 4.578 4.578 4.780 -0.202 19354 12761 1 19 . 1 1 23 23 ARG C C 23 174.128 174.128 174.691 -0.563 19354 12762 1 19 . 1 1 23 23 ARG CA C 23 54.192 54.192 54.435 -0.243 19354 12763 1 19 . 1 1 23 23 ARG CB C 23 34.757 34.757 33.654 1.103 19354 12764 1 19 . 1 1 23 23 ARG H H 23 8.430 8.430 7.897 0.532 19354 12765 1 19 . 1 1 24 24 ARG N N 24 124.928 124.928 124.929 -0.001 19354 12766 1 19 . 1 1 24 24 ARG HA H 24 4.619 4.619 4.465 0.154 19354 12767 1 19 . 1 1 24 24 ARG C C 24 176.265 176.265 175.352 0.913 19354 12768 1 19 . 1 1 24 24 ARG CA C 24 57.824 57.824 56.008 1.816 19354 12769 1 19 . 1 1 24 24 ARG CB C 24 29.913 29.913 27.672 2.241 19354 12770 1 19 . 1 1 24 24 ARG H H 24 8.569 8.569 8.765 -0.196 19354 12771 1 19 . 1 1 25 25 ALA N N 25 127.390 127.390 125.476 1.914 19354 12772 1 19 . 1 1 25 25 ALA HA H 25 4.379 4.379 4.398 -0.019 19354 12773 1 19 . 1 1 25 25 ALA C C 25 174.173 174.173 176.726 -2.553 19354 12774 1 19 . 1 1 25 25 ALA CA C 25 51.382 51.382 51.510 -0.128 19354 12775 1 19 . 1 1 25 25 ALA CB C 25 23.050 23.050 20.789 2.261 19354 12776 1 19 . 1 1 25 25 ALA H H 25 8.082 8.082 8.053 0.029 19354 12777 1 19 . 1 1 26 26 ARG N N 26 116.820 116.820 118.413 -1.593 19354 12778 1 19 . 1 1 26 26 ARG HA H 26 4.692 4.692 4.460 0.232 19354 12779 1 19 . 1 1 26 26 ARG C C 26 177.847 177.847 175.364 2.483 19354 12780 1 19 . 1 1 26 26 ARG CA C 26 55.271 55.271 55.887 -0.616 19354 12781 1 19 . 1 1 26 26 ARG CB C 26 31.215 31.215 31.905 -0.690 19354 12782 1 19 . 1 1 26 26 ARG H H 26 8.133 8.133 8.479 -0.346 19354 12783 1 19 . 1 1 27 27 CYS N N 27 126.567 126.567 119.384 7.183 19354 12784 1 19 . 1 1 27 27 CYS HA H 27 5.732 5.732 4.966 0.766 19354 12785 1 19 . 1 1 27 27 CYS C C 27 175.288 175.288 173.227 2.061 19354 12786 1 19 . 1 1 27 27 CYS CA C 27 51.785 51.785 57.994 -6.209 19354 12787 1 19 . 1 1 27 27 CYS CB C 27 38.246 38.246 28.767 9.479 19354 12788 1 19 . 1 1 27 27 CYS H H 27 9.709 9.709 8.373 1.336 19354 12789 1 19 . 1 1 28 28 TYR N N 28 120.309 120.309 123.805 -3.496 19354 12790 1 19 . 1 1 28 28 TYR HA H 28 5.079 5.079 5.169 -0.090 19354 12791 1 19 . 1 1 28 28 TYR CA C 28 54.951 54.951 54.255 0.696 19354 12792 1 19 . 1 1 28 28 TYR CB C 28 39.807 39.807 38.966 0.841 19354 12793 1 19 . 1 1 28 28 TYR H H 28 8.870 8.870 8.993 -0.123 19354 12794 1 19 . 1 1 29 29 PRO HA H 29 4.836 4.836 4.890 -0.054 19354 12795 1 19 . 1 1 29 29 PRO CA C 29 61.773 61.773 62.788 -1.016 19354 12796 1 19 . 1 1 29 29 PRO CB C 29 31.173 31.173 32.216 -1.043 19354 12797 1 19 . 1 1 30 30 THR N N 30 115.177 115.177 118.932 -3.755 19354 12798 1 19 . 1 1 30 30 THR HA H 30 4.253 4.253 4.480 -0.227 19354 12799 1 19 . 1 1 30 30 THR C C 30 173.688 173.688 175.595 -1.907 19354 12800 1 19 . 1 1 30 30 THR CA C 30 61.324 61.324 63.517 -2.193 19354 12801 1 19 . 1 1 30 30 THR CB C 30 70.191 70.191 69.121 1.070 19354 12802 1 19 . 1 1 30 30 THR H H 30 7.978 7.978 8.653 -0.675 19354 12803 1 19 . 1 1 31 31 SER N N 31 116.822 116.822 115.217 1.605 19354 12804 1 19 . 1 1 31 31 SER HA H 31 4.702 4.702 4.673 0.029 19354 12805 1 19 . 1 1 31 31 SER C C 31 175.079 175.079 174.646 0.433 19354 12806 1 19 . 1 1 31 31 SER CA C 31 57.057 57.057 56.907 0.149 19354 12807 1 19 . 1 1 31 31 SER CB C 31 66.020 66.020 64.977 1.043 19354 12808 1 19 . 1 1 31 31 SER H H 31 8.451 8.451 8.136 0.315 19354 12809 1 19 . 1 1 32 32 ASN N N 32 118.803 118.803 119.994 -1.191 19354 12810 1 19 . 1 1 32 32 ASN HA H 32 4.385 4.385 4.559 -0.174 19354 12811 1 19 . 1 1 32 32 ASN C C 32 175.705 175.705 175.956 -0.251 19354 12812 1 19 . 1 1 32 32 ASN CA C 32 55.564 55.564 55.678 -0.114 19354 12813 1 19 . 1 1 32 32 ASN CB C 32 37.637 37.637 38.866 -1.229 19354 12814 1 19 . 1 1 32 32 ASN H H 32 8.802 8.802 8.755 0.047 19354 12815 1 19 . 1 1 33 33 ALA N N 33 118.571 118.571 120.216 -1.645 19354 12816 1 19 . 1 1 33 33 ALA HA H 33 4.262 4.262 4.409 -0.147 19354 12817 1 19 . 1 1 33 33 ALA C C 33 179.229 179.229 177.222 2.007 19354 12818 1 19 . 1 1 33 33 ALA CA C 33 53.087 53.087 53.364 -0.277 19354 12819 1 19 . 1 1 33 33 ALA CB C 33 19.563 19.563 19.682 -0.119 19354 12820 1 19 . 1 1 33 33 ALA H H 33 8.004 8.004 7.898 0.106 19354 12821 1 19 . 1 1 34 34 THR N N 34 106.312 106.312 110.480 -4.168 19354 12822 1 19 . 1 1 34 34 THR HA H 34 4.581 4.581 4.270 0.311 19354 12823 1 19 . 1 1 34 34 THR C C 34 175.334 175.334 172.900 2.434 19354 12824 1 19 . 1 1 34 34 THR CA C 34 60.586 60.586 61.163 -0.577 19354 12825 1 19 . 1 1 34 34 THR CB C 34 70.195 70.195 70.017 0.178 19354 12826 1 19 . 1 1 34 34 THR H H 34 7.551 7.551 7.450 0.101 19354 12827 1 19 . 1 1 35 35 ASN N N 35 122.599 122.599 123.342 -0.743 19354 12828 1 19 . 1 1 35 35 ASN HA H 35 4.528 4.528 4.599 -0.071 19354 12829 1 19 . 1 1 35 35 ASN C C 35 174.221 174.221 174.447 -0.226 19354 12830 1 19 . 1 1 35 35 ASN CA C 35 52.790 52.790 53.855 -1.065 19354 12831 1 19 . 1 1 35 35 ASN CB C 35 36.768 36.768 40.081 -3.313 19354 12832 1 19 . 1 1 35 35 ASN H H 35 7.897 7.897 8.385 -0.488 19354 12833 1 19 . 1 1 36 36 THR N N 36 107.151 107.151 113.350 -6.199 19354 12834 1 19 . 1 1 36 36 THR HA H 36 4.979 4.979 4.496 0.483 19354 12835 1 19 . 1 1 36 36 THR C C 36 173.651 173.651 172.451 1.200 19354 12836 1 19 . 1 1 36 36 THR CA C 36 59.011 59.011 61.329 -2.318 19354 12837 1 19 . 1 1 36 36 THR CB C 36 72.745 72.745 70.829 1.917 19354 12838 1 19 . 1 1 36 36 THR H H 36 7.490 7.490 8.428 -0.938 19354 12839 1 19 . 1 1 37 37 CYS N N 37 118.809 118.809 125.108 -6.299 19354 12840 1 19 . 1 1 37 37 CYS HA H 37 4.095 4.095 4.875 -0.780 19354 12841 1 19 . 1 1 37 37 CYS C C 37 173.688 173.688 174.069 -0.381 19354 12842 1 19 . 1 1 37 37 CYS CA C 37 55.634 55.634 58.412 -2.778 19354 12843 1 19 . 1 1 37 37 CYS CB C 37 45.854 45.854 28.325 17.529 19354 12844 1 19 . 1 1 37 37 CYS H H 37 8.632 8.632 8.403 0.229 19354 12845 1 19 . 1 1 38 38 PHE N N 38 128.190 128.190 125.832 2.358 19354 12846 1 19 . 1 1 38 38 PHE HA H 38 4.275 4.275 4.179 0.096 19354 12847 1 19 . 1 1 38 38 PHE C C 38 176.261 176.261 176.176 0.085 19354 12848 1 19 . 1 1 38 38 PHE CA C 38 59.067 59.067 58.639 0.428 19354 12849 1 19 . 1 1 38 38 PHE CB C 38 36.576 36.576 37.494 -0.918 19354 12850 1 19 . 1 1 38 38 PHE H H 38 9.018 9.018 9.403 -0.385 19354 12851 1 19 . 1 1 39 39 GLY N N 39 104.504 104.504 105.006 -0.502 19354 12852 1 19 . 1 1 39 39 GLY C C 39 174.173 174.173 174.428 -0.255 19354 12853 1 19 . 1 1 39 39 GLY CA C 39 45.112 45.112 45.048 0.064 19354 12854 1 19 . 1 1 39 39 GLY H H 39 8.566 8.566 8.270 0.296 19354 12855 1 19 . 1 1 40 40 SER N N 40 116.201 116.201 120.636 -4.435 19354 12856 1 19 . 1 1 40 40 SER HA H 40 4.529 4.529 4.491 0.038 19354 12857 1 19 . 1 1 40 40 SER C C 40 173.873 173.873 174.494 -0.621 19354 12858 1 19 . 1 1 40 40 SER CA C 40 57.436 57.436 58.420 -0.984 19354 12859 1 19 . 1 1 40 40 SER CB C 40 63.718 63.718 63.270 0.448 19354 12860 1 19 . 1 1 40 40 SER H H 40 7.533 7.533 8.070 -0.537 19354 12861 1 19 . 1 1 41 41 LYS N N 41 127.456 127.456 126.792 0.664 19354 12862 1 19 . 1 1 41 41 LYS HA H 41 4.056 4.056 4.172 -0.116 19354 12863 1 19 . 1 1 41 41 LYS C C 41 176.632 176.632 176.288 0.344 19354 12864 1 19 . 1 1 41 41 LYS CA C 41 56.409 56.409 56.578 -0.169 19354 12865 1 19 . 1 1 41 41 LYS CB C 41 32.169 32.169 32.596 -0.428 19354 12866 1 19 . 1 1 41 41 LYS H H 41 8.768 8.768 8.395 0.373 19354 12867 1 19 . 1 1 42 42 LEU N N 42 128.016 128.016 125.063 2.953 19354 12868 1 19 . 1 1 42 42 LEU HA H 42 4.120 4.120 4.308 -0.188 19354 12869 1 19 . 1 1 42 42 LEU CA C 42 52.010 52.010 51.449 0.561 19354 12870 1 19 . 1 1 42 42 LEU CB C 42 40.680 40.680 40.004 0.676 19354 12871 1 19 . 1 1 42 42 LEU H H 42 8.304 8.304 8.371 -0.067 19354 12872 1 19 . 1 1 43 43 PRO HA H 43 4.453 4.453 4.276 0.177 19354 12873 1 19 . 1 1 43 43 PRO CA C 43 62.807 62.807 64.160 -1.353 19354 12874 1 19 . 1 1 43 43 PRO CB C 43 29.625 29.625 31.597 -1.972 19354 12875 1 19 . 1 1 44 44 TYR N N 44 116.871 116.871 115.108 1.763 19354 12876 1 19 . 1 1 44 44 TYR HA H 44 4.689 4.689 4.939 -0.250 19354 12877 1 19 . 1 1 44 44 TYR C C 44 175.239 175.239 174.875 0.364 19354 12878 1 19 . 1 1 44 44 TYR CA C 44 53.718 53.718 54.397 -0.679 19354 12879 1 19 . 1 1 44 44 TYR CB C 44 38.637 38.637 40.024 -1.387 19354 12880 1 19 . 1 1 44 44 TYR H H 44 6.311 6.311 6.548 -0.237 19354 12881 1 19 . 1 1 45 45 GLU N N 45 118.221 118.221 119.070 -0.849 19354 12882 1 19 . 1 1 45 45 GLU HA H 45 4.138 4.138 4.538 -0.400 19354 12883 1 19 . 1 1 45 45 GLU C C 45 176.282 176.282 174.832 1.450 19354 12884 1 19 . 1 1 45 45 GLU CA C 45 57.502 57.502 55.947 1.555 19354 12885 1 19 . 1 1 45 45 GLU CB C 45 31.105 31.105 30.388 0.717 19354 12886 1 19 . 1 1 45 45 GLU H H 45 8.591 8.591 8.903 -0.312 19354 12887 1 19 . 1 1 46 46 LEU N N 46 119.826 119.826 119.198 0.628 19354 12888 1 19 . 1 1 46 46 LEU HA H 46 4.974 4.974 5.317 -0.343 19354 12889 1 19 . 1 1 46 46 LEU C C 46 175.420 175.420 175.947 -0.527 19354 12890 1 19 . 1 1 46 46 LEU CA C 46 53.202 53.202 53.326 -0.124 19354 12891 1 19 . 1 1 46 46 LEU CB C 46 43.587 43.587 45.675 -2.088 19354 12892 1 19 . 1 1 46 46 LEU H H 46 8.176 8.176 7.599 0.577 19354 12893 1 19 . 1 1 47 47 SER N N 47 111.561 111.561 112.988 -1.427 19354 12894 1 19 . 1 1 47 47 SER HA H 47 5.020 5.020 4.564 0.456 19354 12895 1 19 . 1 1 47 47 SER C C 47 173.833 173.833 172.212 1.621 19354 12896 1 19 . 1 1 47 47 SER CA C 47 53.006 53.006 56.921 -3.915 19354 12897 1 19 . 1 1 47 47 SER CB C 47 64.691 64.691 65.452 -0.761 19354 12898 1 19 . 1 1 47 47 SER H H 47 7.924 7.924 8.450 -0.526 19354 12899 1 19 . 1 1 48 48 SER N N 48 111.459 111.459 119.457 -7.998 19354 12900 1 19 . 1 1 48 48 SER HA H 48 4.841 4.841 4.816 0.025 19354 12901 1 19 . 1 1 48 48 SER C C 48 175.602 175.602 174.987 0.615 19354 12902 1 19 . 1 1 48 48 SER CA C 48 57.388 57.388 56.448 0.940 19354 12903 1 19 . 1 1 48 48 SER CB C 48 66.333 66.333 63.479 2.854 19354 12904 1 19 . 1 1 48 48 SER H H 48 8.628 8.628 8.753 -0.125 19354 12905 1 19 . 1 1 49 49 LEU N N 49 128.995 128.995 131.050 -2.055 19354 12906 1 19 . 1 1 49 49 LEU HA H 49 4.383 4.383 4.392 -0.009 19354 12907 1 19 . 1 1 49 49 LEU C C 49 179.571 179.571 178.039 1.532 19354 12908 1 19 . 1 1 49 49 LEU CA C 49 56.032 56.032 56.808 -0.776 19354 12909 1 19 . 1 1 49 49 LEU CB C 49 41.904 41.904 41.504 0.400 19354 12910 1 19 . 1 1 49 49 LEU H H 49 9.519 9.519 9.316 0.203 19354 12911 1 19 . 1 1 50 50 ASP N N 50 115.013 115.013 120.213 -5.200 19354 12912 1 19 . 1 1 50 50 ASP HA H 50 4.168 4.168 4.389 -0.221 19354 12913 1 19 . 1 1 50 50 ASP C C 50 176.486 176.486 178.240 -1.754 19354 12914 1 19 . 1 1 50 50 ASP CA C 50 58.352 58.352 56.591 1.761 19354 12915 1 19 . 1 1 50 50 ASP CB C 50 41.259 41.259 40.720 0.539 19354 12916 1 19 . 1 1 50 50 ASP H H 50 8.191 8.191 7.990 0.201 19354 12917 1 19 . 1 1 51 51 LEU N N 51 118.298 118.298 118.396 -0.098 19354 12918 1 19 . 1 1 51 51 LEU HA H 51 4.329 4.329 4.065 0.264 19354 12919 1 19 . 1 1 51 51 LEU C C 51 175.556 175.556 177.108 -1.552 19354 12920 1 19 . 1 1 51 51 LEU CA C 51 54.483 54.483 56.808 -2.325 19354 12921 1 19 . 1 1 51 51 LEU CB C 51 39.219 39.219 42.546 -3.327 19354 12922 1 19 . 1 1 51 51 LEU H H 51 8.732 8.732 7.649 1.083 19354 12923 1 19 . 1 1 52 52 THR N N 52 106.427 106.427 108.733 -2.306 19354 12924 1 19 . 1 1 52 52 THR HA H 52 2.784 2.784 4.372 -1.588 19354 12925 1 19 . 1 1 52 52 THR C C 52 172.812 172.812 173.584 -0.772 19354 12926 1 19 . 1 1 52 52 THR CA C 52 58.759 58.759 60.353 -1.594 19354 12927 1 19 . 1 1 52 52 THR CB C 52 71.985 71.985 70.982 1.003 19354 12928 1 19 . 1 1 52 52 THR H H 52 7.574 7.574 7.447 0.127 19354 12929 1 19 . 1 1 53 53 ASP HA H 53 4.398 4.398 4.463 -0.065 19354 12930 1 19 . 1 1 53 53 ASP CA C 53 52.757 52.757 53.928 -1.171 19354 12931 1 19 . 1 1 53 53 ASP CB C 53 40.737 40.737 40.805 -0.068 19354 12932 1 19 . 1 1 54 54 PHE N N 54 117.929 117.929 116.373 1.556 19354 12933 1 19 . 1 1 54 54 PHE HA H 54 4.498 4.498 4.400 0.098 19354 12934 1 19 . 1 1 54 54 PHE C C 54 176.169 176.169 175.877 0.292 19354 12935 1 19 . 1 1 54 54 PHE CA C 54 57.477 57.477 57.696 -0.219 19354 12936 1 19 . 1 1 54 54 PHE CB C 54 39.270 39.270 39.136 0.134 19354 12937 1 19 . 1 1 54 54 PHE H H 54 7.575 7.575 7.107 0.468 19354 12938 1 19 . 1 1 55 55 HIS N N 55 115.333 115.333 117.139 -1.806 19354 12939 1 19 . 1 1 55 55 HIS HA H 55 4.585 4.585 4.773 -0.188 19354 12940 1 19 . 1 1 55 55 HIS C C 55 175.080 175.080 174.852 0.228 19354 12941 1 19 . 1 1 55 55 HIS CA C 55 56.439 56.439 56.924 -0.485 19354 12942 1 19 . 1 1 55 55 HIS CB C 55 31.104 31.104 31.291 -0.187 19354 12943 1 19 . 1 1 55 55 HIS H H 55 9.230 9.230 9.010 0.220 19354 12944 1 19 . 1 1 56 56 THR N N 56 106.891 106.891 108.610 -1.719 19354 12945 1 19 . 1 1 56 56 THR HA H 56 4.528 4.528 4.543 -0.015 19354 12946 1 19 . 1 1 56 56 THR C C 56 173.696 173.696 174.252 -0.556 19354 12947 1 19 . 1 1 56 56 THR CA C 56 58.725 58.725 60.094 -1.369 19354 12948 1 19 . 1 1 56 56 THR CB C 56 72.851 72.851 71.058 1.792 19354 12949 1 19 . 1 1 56 56 THR H H 56 7.343 7.343 7.445 -0.102 19354 12950 1 19 . 1 1 57 57 GLU N N 57 121.798 121.798 119.602 2.196 19354 12951 1 19 . 1 1 57 57 GLU HA H 57 3.611 3.611 4.136 -0.525 19354 12952 1 19 . 1 1 57 57 GLU C C 57 178.417 178.417 178.129 0.288 19354 12953 1 19 . 1 1 57 57 GLU CA C 57 59.380 59.380 59.186 0.194 19354 12954 1 19 . 1 1 57 57 GLU CB C 57 29.873 29.873 29.519 0.354 19354 12955 1 19 . 1 1 57 57 GLU H H 57 8.841 8.841 8.564 0.277 19354 12956 1 19 . 1 1 58 58 LYS N N 58 121.091 121.091 119.531 1.560 19354 12957 1 19 . 1 1 58 58 LYS HA H 58 3.903 3.903 3.968 -0.065 19354 12958 1 19 . 1 1 58 58 LYS C C 58 177.745 177.745 178.703 -0.958 19354 12959 1 19 . 1 1 58 58 LYS CA C 58 59.470 59.470 59.114 0.357 19354 12960 1 19 . 1 1 58 58 LYS CB C 58 32.130 32.130 31.667 0.463 19354 12961 1 19 . 1 1 58 58 LYS H H 58 8.307 8.307 8.281 0.026 19354 12962 1 19 . 1 1 59 59 GLU N N 59 117.790 117.790 119.254 -1.464 19354 12963 1 19 . 1 1 59 59 GLU HA H 59 3.852 3.852 3.993 -0.141 19354 12964 1 19 . 1 1 59 59 GLU C C 59 178.051 178.051 178.328 -0.277 19354 12965 1 19 . 1 1 59 59 GLU CA C 59 59.094 59.094 59.437 -0.343 19354 12966 1 19 . 1 1 59 59 GLU CB C 59 30.468 30.468 29.433 1.035 19354 12967 1 19 . 1 1 59 59 GLU H H 59 7.537 7.537 7.671 -0.134 19354 12968 1 19 . 1 1 60 60 LEU N N 60 118.763 118.763 120.631 -1.868 19354 12969 1 19 . 1 1 60 60 LEU HA H 60 3.211 3.211 2.822 0.389 19354 12970 1 19 . 1 1 60 60 LEU C C 60 178.070 178.070 178.337 -0.267 19354 12971 1 19 . 1 1 60 60 LEU CA C 60 59.007 59.007 57.413 1.594 19354 12972 1 19 . 1 1 60 60 LEU CB C 60 42.750 42.750 42.085 0.665 19354 12973 1 19 . 1 1 60 60 LEU H H 60 7.321 7.321 7.232 0.089 19354 12974 1 19 . 1 1 61 61 ASN N N 61 116.987 116.987 116.630 0.357 19354 12975 1 19 . 1 1 61 61 ASN HA H 61 4.127 4.127 4.389 -0.262 19354 12976 1 19 . 1 1 61 61 ASN C C 61 177.689 177.689 177.328 0.361 19354 12977 1 19 . 1 1 61 61 ASN CA C 61 57.310 57.310 56.228 1.082 19354 12978 1 19 . 1 1 61 61 ASN CB C 61 39.288 39.288 38.400 0.888 19354 12979 1 19 . 1 1 61 61 ASN H H 61 8.335 8.335 8.201 0.134 19354 12980 1 19 . 1 1 62 62 ASP N N 62 120.935 120.935 120.012 0.923 19354 12981 1 19 . 1 1 62 62 ASP HA H 62 4.306 4.306 4.501 -0.195 19354 12982 1 19 . 1 1 62 62 ASP C C 62 178.868 178.868 178.148 0.720 19354 12983 1 19 . 1 1 62 62 ASP CA C 62 57.510 57.510 56.658 0.852 19354 12984 1 19 . 1 1 62 62 ASP CB C 62 39.596 39.596 40.835 -1.239 19354 12985 1 19 . 1 1 62 62 ASP H H 62 8.376 8.376 7.962 0.414 19354 12986 1 19 . 1 1 63 63 LYS N N 63 119.626 119.626 121.201 -1.575 19354 12987 1 19 . 1 1 63 63 LYS HA H 63 4.168 4.168 4.130 0.038 19354 12988 1 19 . 1 1 63 63 LYS C C 63 179.458 179.458 178.981 0.477 19354 12989 1 19 . 1 1 63 63 LYS CA C 63 55.698 55.698 59.015 -3.317 19354 12990 1 19 . 1 1 63 63 LYS CB C 63 31.082 31.082 32.234 -1.152 19354 12991 1 19 . 1 1 63 63 LYS H H 63 7.748 7.748 7.839 -0.091 19354 12992 1 19 . 1 1 64 64 LEU N N 64 120.255 120.255 120.526 -0.271 19354 12993 1 19 . 1 1 64 64 LEU HA H 64 3.688 3.688 4.246 -0.558 19354 12994 1 19 . 1 1 64 64 LEU C C 64 178.732 178.732 178.546 0.186 19354 12995 1 19 . 1 1 64 64 LEU CA C 64 57.722 57.722 58.913 -1.191 19354 12996 1 19 . 1 1 64 64 LEU CB C 64 41.236 41.236 41.811 -0.575 19354 12997 1 19 . 1 1 64 64 LEU H H 64 8.221 8.221 7.781 0.440 19354 12998 1 19 . 1 1 65 65 ASN N N 65 113.630 113.630 116.835 -3.205 19354 12999 1 19 . 1 1 65 65 ASN HA H 65 4.580 4.580 4.180 0.400 19354 13000 1 19 . 1 1 65 65 ASN C C 65 178.394 178.394 177.653 0.741 19354 13001 1 19 . 1 1 65 65 ASN CA C 65 55.628 55.628 56.569 -0.941 19354 13002 1 19 . 1 1 65 65 ASN CB C 65 38.269 38.269 37.985 0.284 19354 13003 1 19 . 1 1 65 65 ASN H H 65 7.482 7.482 7.878 -0.396 19354 13004 1 19 . 1 1 66 66 ASP N N 66 120.683 120.683 120.063 0.620 19354 13005 1 19 . 1 1 66 66 ASP HA H 66 4.482 4.482 4.449 0.033 19354 13006 1 19 . 1 1 66 66 ASP C C 66 179.095 179.095 178.896 0.199 19354 13007 1 19 . 1 1 66 66 ASP CA C 66 56.623 56.623 57.407 -0.784 19354 13008 1 19 . 1 1 66 66 ASP CB C 66 39.883 39.883 41.098 -1.215 19354 13009 1 19 . 1 1 66 66 ASP H H 66 7.834 7.834 8.110 -0.276 19354 13010 1 19 . 1 1 67 67 TYR N N 67 116.512 116.512 120.968 -4.456 19354 13011 1 19 . 1 1 67 67 TYR HA H 67 3.984 3.984 4.306 -0.322 19354 13012 1 19 . 1 1 67 67 TYR C C 67 176.554 176.554 178.092 -1.538 19354 13013 1 19 . 1 1 67 67 TYR CA C 67 62.142 62.142 60.879 1.263 19354 13014 1 19 . 1 1 67 67 TYR CB C 67 37.436 37.436 38.176 -0.740 19354 13015 1 19 . 1 1 67 67 TYR H H 67 8.132 8.132 7.865 0.267 19354 13016 1 19 . 1 1 68 68 TYR N N 68 118.786 118.786 120.301 -1.515 19354 13017 1 19 . 1 1 68 68 TYR HA H 68 3.632 3.632 3.150 0.482 19354 13018 1 19 . 1 1 68 68 TYR C C 68 177.915 177.915 177.675 0.240 19354 13019 1 19 . 1 1 68 68 TYR CA C 68 61.395 61.395 61.732 -0.337 19354 13020 1 19 . 1 1 68 68 TYR CB C 68 37.345 37.345 37.294 0.051 19354 13021 1 19 . 1 1 68 68 TYR H H 68 7.558 7.558 8.298 -0.740 19354 13022 1 19 . 1 1 69 69 ALA N N 69 120.715 120.715 121.944 -1.229 19354 13023 1 19 . 1 1 69 69 ALA HA H 69 3.935 3.935 3.968 -0.033 19354 13024 1 19 . 1 1 69 69 ALA C C 69 179.390 179.390 179.288 0.102 19354 13025 1 19 . 1 1 69 69 ALA CA C 69 54.015 54.015 54.643 -0.628 19354 13026 1 19 . 1 1 69 69 ALA CB C 69 18.529 18.529 17.719 0.810 19354 13027 1 19 . 1 1 69 69 ALA H H 69 7.453 7.453 7.721 -0.268 19354 13028 1 19 . 1 1 70 70 LEU N N 70 117.212 117.212 119.150 -1.938 19354 13029 1 19 . 1 1 70 70 LEU HA H 70 3.765 3.765 3.870 -0.105 19354 13030 1 19 . 1 1 70 70 LEU C C 70 177.280 177.280 178.019 -0.739 19354 13031 1 19 . 1 1 70 70 LEU CA C 70 56.634 56.634 56.861 -0.228 19354 13032 1 19 . 1 1 70 70 LEU CB C 70 41.045 41.045 41.772 -0.727 19354 13033 1 19 . 1 1 70 70 LEU H H 70 7.764 7.764 7.975 -0.211 19354 13034 1 19 . 1 1 71 71 LYS N N 71 118.756 118.756 118.615 0.141 19354 13035 1 19 . 1 1 71 71 LYS HA H 71 3.039 3.039 3.424 -0.385 19354 13036 1 19 . 1 1 71 71 LYS C C 71 177.121 177.121 177.845 -0.724 19354 13037 1 19 . 1 1 71 71 LYS CA C 71 58.865 58.865 58.758 0.107 19354 13038 1 19 . 1 1 71 71 LYS CB C 71 31.247 31.247 31.119 0.128 19354 13039 1 19 . 1 1 71 71 LYS H H 71 7.001 7.001 7.945 -0.944 19354 13040 1 19 . 1 1 72 72 HIS N N 72 113.331 113.331 117.515 -4.184 19354 13041 1 19 . 1 1 72 72 HIS HA H 72 4.304 4.304 4.249 0.055 19354 13042 1 19 . 1 1 72 72 HIS C C 72 174.232 174.232 176.086 -1.854 19354 13043 1 19 . 1 1 72 72 HIS CA C 72 57.245 57.245 58.749 -1.504 19354 13044 1 19 . 1 1 72 72 HIS CB C 72 30.221 30.221 29.899 0.322 19354 13045 1 19 . 1 1 72 72 HIS H H 72 6.973 6.973 7.662 -0.689 19354 13046 1 19 . 1 1 73 73 VAL N N 73 121.486 121.486 120.470 1.016 19354 13047 1 19 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.443 0.088 19354 13048 1 19 . 1 1 73 73 VAL CA C 73 59.159 59.159 59.635 -0.476 19354 13049 1 19 . 1 1 73 73 VAL CB C 73 30.604 30.604 32.518 -1.914 19354 13050 1 19 . 1 1 73 73 VAL H H 73 7.821 7.821 7.999 -0.178 19354 13051 1 19 . 1 1 74 74 PRO HA H 74 4.070 4.070 4.623 -0.553 19354 13052 1 19 . 1 1 74 74 PRO CA C 74 66.637 66.637 65.221 1.416 19354 13053 1 19 . 1 1 74 74 PRO CB C 74 32.212 32.212 32.124 0.088 19354 13054 1 19 . 1 1 75 75 LYS N N 75 116.832 116.832 118.484 -1.652 19354 13055 1 19 . 1 1 75 75 LYS HA H 75 4.099 4.099 4.161 -0.062 19354 13056 1 19 . 1 1 75 75 LYS C C 75 180.048 180.048 177.503 2.545 19354 13057 1 19 . 1 1 75 75 LYS CA C 75 59.398 59.398 58.953 0.445 19354 13058 1 19 . 1 1 75 75 LYS CB C 75 31.296 31.296 31.368 -0.072 19354 13059 1 19 . 1 1 75 75 LYS H H 75 9.234 9.234 8.689 0.545 19354 13060 1 19 . 1 1 76 76 CYS N N 76 116.333 116.333 117.706 -1.373 19354 13061 1 19 . 1 1 76 76 CYS HA H 76 4.320 4.320 4.719 -0.399 19354 13062 1 19 . 1 1 76 76 CYS C C 76 175.012 175.012 176.201 -1.189 19354 13063 1 19 . 1 1 76 76 CYS CA C 76 58.297 58.297 60.211 -1.914 19354 13064 1 19 . 1 1 76 76 CYS CB C 76 38.803 38.803 28.314 10.489 19354 13065 1 19 . 1 1 76 76 CYS H H 76 7.496 7.496 7.727 -0.231 19354 13066 1 19 . 1 1 77 77 TRP N N 77 119.987 119.987 123.279 -3.292 19354 13067 1 19 . 1 1 77 77 TRP HA H 77 4.452 4.452 4.306 0.146 19354 13068 1 19 . 1 1 77 77 TRP C C 77 177.462 177.462 177.838 -0.376 19354 13069 1 19 . 1 1 77 77 TRP CA C 77 58.821 58.821 60.081 -1.260 19354 13070 1 19 . 1 1 77 77 TRP CB C 77 30.425 30.425 29.291 1.134 19354 13071 1 19 . 1 1 77 77 TRP H H 77 8.254 8.254 8.714 -0.460 19354 13072 1 19 . 1 1 78 78 ALA N N 78 116.093 116.093 119.749 -3.656 19354 13073 1 19 . 1 1 78 78 ALA HA H 78 3.736 3.736 3.549 0.187 19354 13074 1 19 . 1 1 78 78 ALA C C 78 178.845 178.845 178.997 -0.152 19354 13075 1 19 . 1 1 78 78 ALA CA C 78 54.188 54.188 53.925 0.263 19354 13076 1 19 . 1 1 78 78 ALA CB C 78 18.323 18.323 17.709 0.614 19354 13077 1 19 . 1 1 78 78 ALA H H 78 7.968 7.968 7.941 0.027 19354 13078 1 19 . 1 1 79 79 ALA N N 79 116.351 116.351 120.657 -4.306 19354 13079 1 19 . 1 1 79 79 ALA HA H 79 4.147 4.147 4.192 -0.045 19354 13080 1 19 . 1 1 79 79 ALA C C 79 178.414 178.414 178.081 0.333 19354 13081 1 19 . 1 1 79 79 ALA CA C 79 53.243 53.243 54.165 -0.922 19354 13082 1 19 . 1 1 79 79 ALA CB C 79 19.832 19.832 18.953 0.879 19354 13083 1 19 . 1 1 79 79 ALA H H 79 6.929 6.929 7.192 -0.264 19354 13084 1 19 . 1 1 80 80 ILE N N 80 115.150 115.150 117.521 -2.371 19354 13085 1 19 . 1 1 80 80 ILE HA H 80 4.218 4.218 4.276 -0.058 19354 13086 1 19 . 1 1 80 80 ILE C C 80 176.350 176.350 176.290 0.060 19354 13087 1 19 . 1 1 80 80 ILE CA C 80 62.069 62.069 59.949 2.120 19354 13088 1 19 . 1 1 80 80 ILE CB C 80 39.375 39.375 38.048 1.327 19354 13089 1 19 . 1 1 80 80 ILE H H 80 8.695 8.695 7.509 1.186 19354 13090 1 19 . 1 1 81 81 GLN N N 81 122.564 122.564 121.651 0.913 19354 13091 1 19 . 1 1 81 81 GLN HA H 81 3.332 3.332 4.016 -0.684 19354 13092 1 19 . 1 1 81 81 GLN C C 81 173.470 173.470 175.303 -1.833 19354 13093 1 19 . 1 1 81 81 GLN CA C 81 61.829 61.829 61.575 0.254 19354 13094 1 19 . 1 1 81 81 GLN CB C 81 25.973 25.973 27.005 -1.032 19354 13095 1 19 . 1 1 81 81 GLN H H 81 7.315 7.315 7.376 -0.061 19354 13096 1 19 . 1 1 82 82 PRO HA H 82 4.076 4.076 4.248 -0.172 19354 13097 1 19 . 1 1 82 82 PRO CA C 82 65.894 65.894 64.766 1.128 19354 13098 1 19 . 1 1 82 82 PRO CB C 82 30.481 30.481 31.532 -1.051 19354 13099 1 19 . 1 1 83 83 PHE N N 83 119.137 119.137 118.170 0.967 19354 13100 1 19 . 1 1 83 83 PHE HA H 83 4.289 4.289 4.455 -0.166 19354 13101 1 19 . 1 1 83 83 PHE C C 83 175.919 175.919 175.969 -0.050 19354 13102 1 19 . 1 1 83 83 PHE CA C 83 59.712 59.712 56.828 2.885 19354 13103 1 19 . 1 1 83 83 PHE CB C 83 39.329 39.329 39.349 -0.020 19354 13104 1 19 . 1 1 83 83 PHE H H 83 6.892 6.892 7.714 -0.822 19354 13105 1 19 . 1 1 84 84 LEU N N 84 116.693 116.693 120.246 -3.553 19354 13106 1 19 . 1 1 84 84 LEU HA H 84 3.611 3.611 3.651 -0.040 19354 13107 1 19 . 1 1 84 84 LEU C C 84 180.297 180.297 178.051 2.246 19354 13108 1 19 . 1 1 84 84 LEU CA C 84 57.952 57.952 58.280 -0.328 19354 13109 1 19 . 1 1 84 84 LEU CB C 84 41.645 41.645 40.670 0.975 19354 13110 1 19 . 1 1 84 84 LEU H H 84 8.589 8.589 7.985 0.604 19354 13111 1 19 . 1 1 85 85 CYS N N 85 115.085 115.085 116.137 -1.052 19354 13112 1 19 . 1 1 85 85 CYS HA H 85 4.127 4.127 4.229 -0.102 19354 13113 1 19 . 1 1 85 85 CYS C C 85 175.556 175.556 176.843 -1.287 19354 13114 1 19 . 1 1 85 85 CYS CA C 85 57.678 57.678 61.915 -4.237 19354 13115 1 19 . 1 1 85 85 CYS CB C 85 39.396 39.396 26.270 13.126 19354 13116 1 19 . 1 1 85 85 CYS H H 85 8.001 8.001 7.601 0.400 19354 13117 1 19 . 1 1 86 86 ALA N N 86 121.743 121.743 121.045 0.698 19354 13118 1 19 . 1 1 86 86 ALA HA H 86 3.922 3.922 4.266 -0.344 19354 13119 1 19 . 1 1 86 86 ALA C C 86 177.745 177.745 177.422 0.323 19354 13120 1 19 . 1 1 86 86 ALA CA C 86 54.306 54.306 53.690 0.616 19354 13121 1 19 . 1 1 86 86 ALA CB C 86 18.778 18.778 18.108 0.670 19354 13122 1 19 . 1 1 86 86 ALA H H 86 7.671 7.671 7.490 0.181 19354 13123 1 19 . 1 1 87 87 VAL N N 87 115.667 115.667 116.667 -1.000 19354 13124 1 19 . 1 1 87 87 VAL HA H 87 3.735 3.735 3.387 0.348 19354 13125 1 19 . 1 1 87 87 VAL C C 87 175.806 175.806 175.222 0.584 19354 13126 1 19 . 1 1 87 87 VAL CA C 87 64.622 64.622 64.017 0.605 19354 13127 1 19 . 1 1 87 87 VAL CB C 87 32.936 32.936 32.147 0.790 19354 13128 1 19 . 1 1 87 87 VAL H H 87 7.460 7.460 7.029 0.431 19354 13129 1 19 . 1 1 88 88 PHE N N 88 115.306 115.306 113.344 1.962 19354 13130 1 19 . 1 1 88 88 PHE HA H 88 4.048 4.048 4.502 -0.454 19354 13131 1 19 . 1 1 88 88 PHE C C 88 176.192 176.192 175.699 0.493 19354 13132 1 19 . 1 1 88 88 PHE CA C 88 60.420 60.420 58.563 1.857 19354 13133 1 19 . 1 1 88 88 PHE CB C 88 40.182 40.182 40.232 -0.050 19354 13134 1 19 . 1 1 88 88 PHE H H 88 8.930 8.930 7.400 1.530 19354 13135 1 19 . 1 1 89 89 LYS N N 89 115.470 115.470 119.321 -3.851 19354 13136 1 19 . 1 1 89 89 LYS HA H 89 4.816 4.816 4.846 -0.030 19354 13137 1 19 . 1 1 89 89 LYS C C 89 184.176 184.176 174.313 9.863 19354 13138 1 19 . 1 1 89 89 LYS CA C 89 53.428 53.428 52.741 0.687 19354 13139 1 19 . 1 1 89 89 LYS CB C 89 33.274 33.274 31.702 1.572 19354 13140 1 19 . 1 1 89 89 LYS H H 89 7.802 7.802 7.800 0.002 19354 13141 1 19 . 1 1 90 90 PRO HA H 90 4.250 4.250 4.322 -0.072 19354 13142 1 19 . 1 1 90 90 PRO CA C 90 62.682 62.682 62.434 0.248 19354 13143 1 19 . 1 1 90 90 PRO CB C 90 32.358 32.358 32.263 0.095 19354 13144 1 19 . 1 1 91 91 LYS N N 91 122.391 122.391 121.490 0.901 19354 13145 1 19 . 1 1 91 91 LYS HA H 91 3.039 3.039 2.772 0.267 19354 13146 1 19 . 1 1 91 91 LYS C C 91 173.356 173.356 175.036 -1.680 19354 13147 1 19 . 1 1 91 91 LYS CA C 91 58.027 58.027 55.820 2.207 19354 13148 1 19 . 1 1 91 91 LYS CB C 91 31.285 31.285 31.931 -0.646 19354 13149 1 19 . 1 1 91 91 LYS H H 91 8.537 8.537 8.320 0.217 19354 13150 1 19 . 1 1 92 92 CYS N N 92 127.562 127.562 127.060 0.502 19354 13151 1 19 . 1 1 92 92 CYS HA H 92 5.391 5.391 4.902 0.489 19354 13152 1 19 . 1 1 92 92 CYS C C 92 171.655 171.655 173.373 -1.718 19354 13153 1 19 . 1 1 92 92 CYS CA C 92 53.804 53.804 57.282 -3.478 19354 13154 1 19 . 1 1 92 92 CYS CB C 92 41.219 41.219 27.338 13.881 19354 13155 1 19 . 1 1 92 92 CYS H H 92 7.037 7.037 8.094 -1.057 19354 13156 1 19 . 1 1 93 93 GLU N N 93 124.483 124.483 127.436 -2.953 19354 13157 1 19 . 1 1 93 93 GLU HA H 93 4.492 4.492 4.716 -0.224 19354 13158 1 19 . 1 1 93 93 GLU C C 93 173.371 173.371 174.718 -1.347 19354 13159 1 19 . 1 1 93 93 GLU CA C 93 54.874 54.874 54.554 0.320 19354 13160 1 19 . 1 1 93 93 GLU CB C 93 34.630 34.630 32.784 1.846 19354 13161 1 19 . 1 1 93 93 GLU H H 93 9.401 9.401 8.000 1.401 19354 13162 1 19 . 1 1 94 94 LYS N N 94 122.694 122.694 121.050 1.644 19354 13163 1 19 . 1 1 94 94 LYS HA H 94 4.581 4.581 4.784 -0.203 19354 13164 1 19 . 1 1 94 94 LYS C C 94 176.509 176.509 176.392 0.117 19354 13165 1 19 . 1 1 94 94 LYS CA C 94 55.856 55.856 55.393 0.463 19354 13166 1 19 . 1 1 94 94 LYS CB C 94 31.809 31.809 33.204 -1.395 19354 13167 1 19 . 1 1 94 94 LYS H H 94 8.526 8.526 8.542 -0.016 19354 13168 1 19 . 1 1 95 95 ILE N N 95 128.382 128.382 126.937 1.445 19354 13169 1 19 . 1 1 95 95 ILE HA H 95 4.049 4.049 4.156 -0.107 19354 13170 1 19 . 1 1 95 95 ILE C C 95 176.337 176.337 175.986 0.351 19354 13171 1 19 . 1 1 95 95 ILE CA C 95 60.847 60.847 60.347 0.500 19354 13172 1 19 . 1 1 95 95 ILE CB C 95 39.625 39.625 38.266 1.359 19354 13173 1 19 . 1 1 95 95 ILE H H 95 9.001 9.001 8.563 0.438 19354 13174 1 19 . 1 1 96 96 ASN N N 96 127.596 127.596 127.778 -0.182 19354 13175 1 19 . 1 1 96 96 ASN HA H 96 4.212 4.212 4.411 -0.199 19354 13176 1 19 . 1 1 96 96 ASN C C 96 175.496 175.496 175.226 0.270 19354 13177 1 19 . 1 1 96 96 ASN CA C 96 53.970 53.970 53.820 0.150 19354 13178 1 19 . 1 1 96 96 ASN CB C 96 37.238 37.238 37.965 -0.727 19354 13179 1 19 . 1 1 96 96 ASN H H 96 9.474 9.474 9.388 0.086 19354 13180 1 19 . 1 1 97 97 GLY N N 97 101.656 101.656 102.833 -1.177 19354 13181 1 19 . 1 1 97 97 GLY C C 97 173.651 173.651 173.636 0.015 19354 13182 1 19 . 1 1 97 97 GLY CA C 97 45.167 45.167 44.903 0.264 19354 13183 1 19 . 1 1 97 97 GLY H H 97 8.476 8.476 8.106 0.370 19354 13184 1 19 . 1 1 98 98 GLU N N 98 120.042 120.042 120.845 -0.803 19354 13185 1 19 . 1 1 98 98 GLU HA H 98 4.587 4.587 4.512 0.075 19354 13186 1 19 . 1 1 98 98 GLU C C 98 174.422 174.422 175.254 -0.832 19354 13187 1 19 . 1 1 98 98 GLU CA C 98 54.294 54.294 54.231 0.063 19354 13188 1 19 . 1 1 98 98 GLU CB C 98 32.934 32.934 31.253 1.681 19354 13189 1 19 . 1 1 98 98 GLU H H 98 7.591 7.591 7.941 -0.350 19354 13190 1 19 . 1 1 99 99 ASP N N 99 126.603 126.603 127.586 -0.983 19354 13191 1 19 . 1 1 99 99 ASP HA H 99 4.340 4.340 4.435 -0.095 19354 13192 1 19 . 1 1 99 99 ASP C C 99 176.214 176.214 175.478 0.736 19354 13193 1 19 . 1 1 99 99 ASP CA C 99 55.408 55.408 55.655 -0.247 19354 13194 1 19 . 1 1 99 99 ASP CB C 99 41.629 41.629 40.386 1.243 19354 13195 1 19 . 1 1 99 99 ASP H H 99 8.489 8.489 8.766 -0.277 19354 13196 1 19 . 1 1 100 100 MET N N 100 121.977 121.977 121.471 0.506 19354 13197 1 19 . 1 1 100 100 MET HA H 100 4.911 4.911 5.422 -0.511 19354 13198 1 19 . 1 1 100 100 MET C C 100 172.900 172.900 174.707 -1.807 19354 13199 1 19 . 1 1 100 100 MET CA C 100 53.649 53.649 53.734 -0.085 19354 13200 1 19 . 1 1 100 100 MET CB C 100 35.529 35.529 37.281 -1.752 19354 13201 1 19 . 1 1 100 100 MET H H 100 8.853 8.853 8.765 0.088 19354 13202 1 19 . 1 1 101 101 VAL N N 101 119.963 119.963 111.968 7.995 19354 13203 1 19 . 1 1 101 101 VAL HA H 101 4.814 4.814 4.543 0.271 19354 13204 1 19 . 1 1 101 101 VAL C C 101 172.991 172.991 173.695 -0.704 19354 13205 1 19 . 1 1 101 101 VAL CA C 101 58.203 58.203 59.515 -1.312 19354 13206 1 19 . 1 1 101 101 VAL CB C 101 34.629 34.629 35.269 -0.640 19354 13207 1 19 . 1 1 101 101 VAL H H 101 8.964 8.964 8.345 0.619 19354 13208 1 19 . 1 1 102 102 TYR N N 102 125.849 125.849 121.379 4.470 19354 13209 1 19 . 1 1 102 102 TYR HA H 102 4.444 4.444 4.825 -0.381 19354 13210 1 19 . 1 1 102 102 TYR C C 102 176.464 176.464 175.851 0.613 19354 13211 1 19 . 1 1 102 102 TYR CA C 102 57.549 57.549 57.354 0.195 19354 13212 1 19 . 1 1 102 102 TYR CB C 102 38.274 38.274 40.986 -2.712 19354 13213 1 19 . 1 1 102 102 TYR H H 102 8.137 8.137 7.913 0.224 19354 13214 1 19 . 1 1 103 103 LEU N N 103 123.151 123.151 120.426 2.725 19354 13215 1 19 . 1 1 103 103 LEU HA H 103 4.683 4.683 5.070 -0.387 19354 13216 1 19 . 1 1 103 103 LEU CA C 103 52.426 52.426 50.934 1.492 19354 13217 1 19 . 1 1 103 103 LEU CB C 103 42.038 42.038 41.774 0.264 19354 13218 1 19 . 1 1 103 103 LEU H H 103 8.308 8.308 8.524 -0.216 19354 13219 1 19 . 1 1 104 104 PRO HA H 104 4.678 4.678 4.626 0.052 19354 13220 1 19 . 1 1 104 104 PRO CA C 104 61.704 61.704 62.533 -0.829 19354 13221 1 19 . 1 1 104 104 PRO CB C 104 32.020 32.020 32.415 -0.395 19354 13222 1 19 . 1 1 105 105 SER N N 105 113.955 113.955 114.242 -0.287 19354 13223 1 19 . 1 1 105 105 SER HA H 105 4.632 4.632 4.721 -0.089 19354 13224 1 19 . 1 1 105 105 SER C C 105 175.473 175.473 176.065 -0.592 19354 13225 1 19 . 1 1 105 105 SER CA C 105 56.324 56.324 57.005 -0.680 19354 13226 1 19 . 1 1 105 105 SER CB C 105 65.193 65.193 65.047 0.146 19354 13227 1 19 . 1 1 105 105 SER H H 105 7.668 7.668 8.232 -0.564 19354 13228 1 19 . 1 1 106 106 TYR N N 106 122.582 122.582 120.999 1.583 19354 13229 1 19 . 1 1 106 106 TYR HA H 106 3.724 3.724 4.099 -0.375 19354 13230 1 19 . 1 1 106 106 TYR C C 106 178.116 178.116 177.191 0.925 19354 13231 1 19 . 1 1 106 106 TYR CA C 106 62.057 62.057 60.778 1.279 19354 13232 1 19 . 1 1 106 106 TYR CB C 106 37.925 37.925 38.079 -0.154 19354 13233 1 19 . 1 1 106 106 TYR H H 106 8.492 8.492 9.074 -0.582 19354 13234 1 19 . 1 1 107 107 GLU N N 107 118.362 118.362 119.914 -1.552 19354 13235 1 19 . 1 1 107 107 GLU HA H 107 3.846 3.846 3.526 0.320 19354 13236 1 19 . 1 1 107 107 GLU C C 107 177.421 177.421 178.362 -0.941 19354 13237 1 19 . 1 1 107 107 GLU CA C 107 58.867 58.867 58.942 -0.075 19354 13238 1 19 . 1 1 107 107 GLU CB C 107 28.969 28.969 28.476 0.493 19354 13239 1 19 . 1 1 107 107 GLU H H 107 8.503 8.503 7.654 0.849 19354 13240 1 19 . 1 1 108 108 MET N N 108 116.221 116.221 118.274 -2.053 19354 13241 1 19 . 1 1 108 108 MET HA H 108 3.708 3.708 3.835 -0.127 19354 13242 1 19 . 1 1 108 108 MET C C 108 176.804 176.804 177.983 -1.179 19354 13243 1 19 . 1 1 108 108 MET CA C 108 58.648 58.648 58.822 -0.174 19354 13244 1 19 . 1 1 108 108 MET CB C 108 33.058 33.058 32.059 0.999 19354 13245 1 19 . 1 1 108 108 MET H H 108 7.409 7.409 7.790 -0.381 19354 13246 1 19 . 1 1 109 109 CYS N N 109 114.131 114.131 116.573 -2.442 19354 13247 1 19 . 1 1 109 109 CYS HA H 109 3.857 3.857 3.761 0.096 19354 13248 1 19 . 1 1 109 109 CYS C C 109 178.047 178.047 176.991 1.056 19354 13249 1 19 . 1 1 109 109 CYS CA C 109 58.737 58.737 60.475 -1.738 19354 13250 1 19 . 1 1 109 109 CYS CB C 109 35.006 35.006 25.875 9.131 19354 13251 1 19 . 1 1 109 109 CYS H H 109 6.817 6.817 7.706 -0.889 19354 13252 1 19 . 1 1 110 110 ARG N N 110 124.629 124.629 120.616 4.013 19354 13253 1 19 . 1 1 110 110 ARG HA H 110 3.376 3.376 4.056 -0.680 19354 13254 1 19 . 1 1 110 110 ARG C C 110 179.435 179.435 178.398 1.037 19354 13255 1 19 . 1 1 110 110 ARG CA C 110 59.641 59.641 59.091 0.550 19354 13256 1 19 . 1 1 110 110 ARG CB C 110 29.273 29.273 29.693 -0.420 19354 13257 1 19 . 1 1 110 110 ARG H H 110 8.885 8.885 7.758 1.127 19354 13258 1 19 . 1 1 111 111 ILE N N 111 113.379 113.379 116.740 -3.361 19354 13259 1 19 . 1 1 111 111 ILE HA H 111 3.796 3.796 3.937 -0.141 19354 13260 1 19 . 1 1 111 111 ILE C C 111 175.624 175.624 176.843 -1.219 19354 13261 1 19 . 1 1 111 111 ILE CA C 111 63.811 63.811 63.530 0.281 19354 13262 1 19 . 1 1 111 111 ILE CB C 111 38.229 38.229 36.502 1.727 19354 13263 1 19 . 1 1 111 111 ILE H H 111 7.422 7.422 7.924 -0.502 19354 13264 1 19 . 1 1 112 112 THR N N 112 109.403 109.403 109.639 -0.236 19354 13265 1 19 . 1 1 112 112 THR HA H 112 3.889 3.889 4.299 -0.410 19354 13266 1 19 . 1 1 112 112 THR C C 112 175.798 175.798 176.023 -0.225 19354 13267 1 19 . 1 1 112 112 THR CA C 112 62.856 62.856 64.290 -1.434 19354 13268 1 19 . 1 1 112 112 THR CB C 112 70.168 70.168 69.966 0.202 19354 13269 1 19 . 1 1 112 112 THR H H 112 7.574 7.574 7.225 0.349 19354 13270 1 19 . 1 1 113 113 MET N N 113 119.638 119.638 120.112 -0.474 19354 13271 1 19 . 1 1 113 113 MET HA H 113 3.541 3.541 4.438 -0.897 19354 13272 1 19 . 1 1 113 113 MET C C 113 177.174 177.174 178.013 -0.839 19354 13273 1 19 . 1 1 113 113 MET CA C 113 60.235 60.235 58.484 1.751 19354 13274 1 19 . 1 1 113 113 MET CB C 113 32.338 32.338 32.404 -0.065 19354 13275 1 19 . 1 1 113 113 MET H H 113 7.152 7.152 7.337 -0.185 19354 13276 1 19 . 1 1 114 114 GLU N N 114 117.224 117.224 120.782 -3.558 19354 13277 1 19 . 1 1 114 114 GLU HA H 114 4.114 4.114 4.076 0.038 19354 13278 1 19 . 1 1 114 114 GLU CA C 114 60.422 60.422 60.215 0.207 19354 13279 1 19 . 1 1 114 114 GLU CB C 114 26.103 26.103 28.238 -2.135 19354 13280 1 19 . 1 1 114 114 GLU H H 114 8.580 8.580 8.608 -0.028 19354 13281 1 19 . 1 1 115 115 PRO HA H 115 4.304 4.304 4.410 -0.106 19354 13282 1 19 . 1 1 115 115 PRO CA C 115 65.128 65.128 63.663 1.465 19354 13283 1 19 . 1 1 115 115 PRO CB C 115 31.141 31.141 31.979 -0.838 19354 13284 1 19 . 1 1 116 116 CYS N N 116 111.879 111.879 121.047 -9.168 19354 13285 1 19 . 1 1 116 116 CYS HA H 116 4.679 4.679 4.555 0.124 19354 13286 1 19 . 1 1 116 116 CYS C C 116 174.808 174.808 176.812 -2.004 19354 13287 1 19 . 1 1 116 116 CYS CA C 116 54.060 54.060 59.400 -5.340 19354 13288 1 19 . 1 1 116 116 CYS CB C 116 42.879 42.879 25.463 17.416 19354 13289 1 19 . 1 1 116 116 CYS H H 116 7.208 7.208 8.372 -1.164 19354 13290 1 19 . 1 1 117 117 ARG N N 117 123.750 123.750 125.854 -2.104 19354 13291 1 19 . 1 1 117 117 ARG HA H 117 3.161 3.161 4.347 -1.186 19354 13292 1 19 . 1 1 117 117 ARG C C 117 178.210 178.210 177.156 1.054 19354 13293 1 19 . 1 1 117 117 ARG CA C 117 59.743 59.743 58.791 0.952 19354 13294 1 19 . 1 1 117 117 ARG CB C 117 29.486 29.486 30.709 -1.224 19354 13295 1 19 . 1 1 117 117 ARG H H 117 7.436 7.436 8.143 -0.707 19354 13296 1 19 . 1 1 118 118 ILE N N 118 116.384 116.384 118.481 -2.097 19354 13297 1 19 . 1 1 118 118 ILE HA H 118 4.000 4.000 3.739 0.261 19354 13298 1 19 . 1 1 118 118 ILE C C 118 176.577 176.577 176.051 0.526 19354 13299 1 19 . 1 1 118 118 ILE CA C 118 63.166 63.166 62.681 0.485 19354 13300 1 19 . 1 1 118 118 ILE CB C 118 37.781 37.781 36.693 1.088 19354 13301 1 19 . 1 1 118 118 ILE H H 118 8.130 8.130 8.132 -0.002 19354 13302 1 19 . 1 1 119 119 LEU N N 119 119.738 119.738 118.774 0.964 19354 13303 1 19 . 1 1 119 119 LEU HA H 119 4.540 4.540 4.222 0.318 19354 13304 1 19 . 1 1 119 119 LEU C C 119 178.346 178.346 177.238 1.108 19354 13305 1 19 . 1 1 119 119 LEU CA C 119 54.697 54.697 52.718 1.979 19354 13306 1 19 . 1 1 119 119 LEU CB C 119 42.872 42.872 39.521 3.351 19354 13307 1 19 . 1 1 119 119 LEU H H 119 7.771 7.771 7.350 0.421 19354 13308 1 19 . 1 1 120 120 TYR N N 120 121.945 121.945 117.179 4.766 19354 13309 1 19 . 1 1 120 120 TYR HA H 120 4.125 4.125 4.231 -0.106 19354 13310 1 19 . 1 1 120 120 TYR C C 120 176.169 176.169 176.450 -0.281 19354 13311 1 19 . 1 1 120 120 TYR CA C 120 59.682 59.682 59.132 0.550 19354 13312 1 19 . 1 1 120 120 TYR CB C 120 37.180 37.180 37.996 -0.816 19354 13313 1 19 . 1 1 120 120 TYR H H 120 7.886 7.886 7.148 0.738 19354 13314 1 19 . 1 1 121 121 ASN N N 121 115.992 115.992 109.676 6.316 19354 13315 1 19 . 1 1 121 121 ASN HA H 121 4.885 4.885 4.666 0.219 19354 13316 1 19 . 1 1 121 121 ASN C C 121 175.612 175.612 175.137 0.475 19354 13317 1 19 . 1 1 121 121 ASN CA C 121 52.670 52.670 53.395 -0.726 19354 13318 1 19 . 1 1 121 121 ASN CB C 121 38.058 38.058 38.786 -0.728 19354 13319 1 19 . 1 1 121 121 ASN H H 121 8.228 8.228 7.999 0.229 19354 13320 1 19 . 1 1 122 122 THR N N 122 109.094 109.094 117.740 -8.646 19354 13321 1 19 . 1 1 122 122 THR HA H 122 4.682 4.682 4.316 0.366 19354 13322 1 19 . 1 1 122 122 THR C C 122 175.844 175.844 174.889 0.955 19354 13323 1 19 . 1 1 122 122 THR CA C 122 61.815 61.815 62.807 -0.993 19354 13324 1 19 . 1 1 122 122 THR CB C 122 72.484 72.484 69.919 2.565 19354 13325 1 19 . 1 1 122 122 THR H H 122 7.649 7.649 8.157 -0.508 19354 13326 1 19 . 1 1 123 123 THR N N 123 112.067 112.067 119.126 -7.059 19354 13327 1 19 . 1 1 123 123 THR HA H 123 4.026 4.026 4.505 -0.479 19354 13328 1 19 . 1 1 123 123 THR C C 123 175.033 175.033 173.512 1.521 19354 13329 1 19 . 1 1 123 123 THR CA C 123 63.174 63.174 62.795 0.379 19354 13330 1 19 . 1 1 123 123 THR CB C 123 68.529 68.529 68.167 0.362 19354 13331 1 19 . 1 1 123 123 THR H H 123 8.261 8.261 8.638 -0.377 19354 13332 1 19 . 1 1 124 124 PHE N N 124 118.139 118.139 124.835 -6.696 19354 13333 1 19 . 1 1 124 124 PHE HA H 124 4.153 4.153 4.285 -0.132 19354 13334 1 19 . 1 1 124 124 PHE C C 124 175.398 175.398 174.375 1.023 19354 13335 1 19 . 1 1 124 124 PHE CA C 124 59.890 59.890 57.989 1.901 19354 13336 1 19 . 1 1 124 124 PHE CB C 124 39.668 39.668 41.443 -1.775 19354 13337 1 19 . 1 1 124 124 PHE H H 124 7.764 7.764 8.009 -0.245 19354 13338 1 19 . 1 1 125 125 PHE N N 125 118.447 118.447 116.035 2.412 19354 13339 1 19 . 1 1 125 125 PHE HA H 125 4.662 4.662 5.141 -0.479 19354 13340 1 19 . 1 1 125 125 PHE CA C 125 56.245 56.245 54.866 1.379 19354 13341 1 19 . 1 1 125 125 PHE CB C 125 38.810 38.810 38.654 0.156 19354 13342 1 19 . 1 1 125 125 PHE H H 125 7.670 7.670 8.057 -0.387 19354 13343 1 19 . 1 1 126 126 PRO HA H 126 4.398 4.398 4.484 -0.086 19354 13344 1 19 . 1 1 126 126 PRO CA C 126 62.432 62.432 64.752 -2.320 19354 13345 1 19 . 1 1 126 126 PRO CB C 126 32.670 32.670 32.264 0.406 19354 13346 1 19 . 1 1 127 127 LYS N N 127 118.753 118.753 117.966 0.787 19354 13347 1 19 . 1 1 127 127 LYS HA H 127 3.580 3.580 4.222 -0.642 19354 13348 1 19 . 1 1 127 127 LYS C C 127 177.977 177.977 178.772 -0.795 19354 13349 1 19 . 1 1 127 127 LYS CA C 127 60.279 60.279 58.514 1.765 19354 13350 1 19 . 1 1 127 127 LYS CB C 127 31.599 31.599 31.343 0.256 19354 13351 1 19 . 1 1 127 127 LYS H H 127 8.565 8.565 8.501 0.064 19354 13352 1 19 . 1 1 128 128 PHE N N 128 110.638 110.638 120.047 -9.409 19354 13353 1 19 . 1 1 128 128 PHE HA H 128 4.481 4.481 4.666 -0.185 19354 13354 1 19 . 1 1 128 128 PHE C C 128 173.946 173.946 175.066 -1.120 19354 13355 1 19 . 1 1 128 128 PHE CA C 128 57.841 57.841 59.651 -1.810 19354 13356 1 19 . 1 1 128 128 PHE CB C 128 36.807 36.807 39.728 -2.921 19354 13357 1 19 . 1 1 128 128 PHE H H 128 6.795 6.795 7.923 -1.128 19354 13358 1 19 . 1 1 129 129 LEU N N 129 119.653 119.653 116.965 2.688 19354 13359 1 19 . 1 1 129 129 LEU HA H 129 4.710 4.710 4.330 0.380 19354 13360 1 19 . 1 1 129 129 LEU C C 129 175.398 175.398 175.615 -0.217 19354 13361 1 19 . 1 1 129 129 LEU CA C 129 53.169 53.169 53.217 -0.048 19354 13362 1 19 . 1 1 129 129 LEU CB C 129 44.901 44.901 40.825 4.077 19354 13363 1 19 . 1 1 129 129 LEU H H 129 7.204 7.204 7.522 -0.318 19354 13364 1 19 . 1 1 130 130 ARG N N 130 116.807 116.807 122.501 -5.694 19354 13365 1 19 . 1 1 130 130 ARG HA H 130 4.328 4.328 4.218 0.110 19354 13366 1 19 . 1 1 130 130 ARG C C 130 177.099 177.099 175.244 1.855 19354 13367 1 19 . 1 1 130 130 ARG CA C 130 55.250 55.250 56.599 -1.349 19354 13368 1 19 . 1 1 130 130 ARG CB C 130 30.355 30.355 27.787 2.568 19354 13369 1 19 . 1 1 130 130 ARG H H 130 7.090 7.090 8.123 -1.033 19354 13370 1 19 . 1 1 131 131 CYS N N 131 117.271 117.271 121.118 -3.847 19354 13371 1 19 . 1 1 131 131 CYS HA H 131 4.588 4.588 4.723 -0.135 19354 13372 1 19 . 1 1 131 131 CYS C C 131 175.022 175.022 172.654 2.368 19354 13373 1 19 . 1 1 131 131 CYS CA C 131 54.449 54.449 57.787 -3.338 19354 13374 1 19 . 1 1 131 131 CYS CB C 131 34.958 34.958 31.098 3.860 19354 13375 1 19 . 1 1 131 131 CYS H H 131 8.210 8.210 8.270 -0.060 19354 13376 1 19 . 1 1 132 132 ASN N N 132 120.232 120.232 124.820 -4.588 19354 13377 1 19 . 1 1 132 132 ASN HA H 132 4.811 4.811 4.846 -0.035 19354 13378 1 19 . 1 1 132 132 ASN C C 132 175.080 175.080 175.046 0.034 19354 13379 1 19 . 1 1 132 132 ASN CA C 132 53.188 53.188 53.577 -0.389 19354 13380 1 19 . 1 1 132 132 ASN CB C 132 40.003 40.003 38.361 1.642 19354 13381 1 19 . 1 1 132 132 ASN H H 132 7.801 7.801 8.671 -0.870 19354 13382 1 19 . 1 1 133 133 GLU N N 133 123.435 123.435 122.835 0.600 19354 13383 1 19 . 1 1 133 133 GLU HA H 133 4.225 4.225 4.375 -0.150 19354 13384 1 19 . 1 1 133 133 GLU C C 133 176.447 176.447 177.174 -0.727 19354 13385 1 19 . 1 1 133 133 GLU CA C 133 57.928 57.928 57.629 0.299 19354 13386 1 19 . 1 1 133 133 GLU CB C 133 29.822 29.822 30.096 -0.274 19354 13387 1 19 . 1 1 133 133 GLU H H 133 9.086 9.086 8.599 0.487 19354 13388 1 19 . 1 1 134 134 THR N N 134 113.403 113.403 115.158 -1.755 19354 13389 1 19 . 1 1 134 134 THR HA H 134 3.964 3.964 4.299 -0.335 19354 13390 1 19 . 1 1 134 134 THR C C 134 174.853 174.853 173.809 1.044 19354 13391 1 19 . 1 1 134 134 THR CA C 134 63.694 63.694 62.530 1.164 19354 13392 1 19 . 1 1 134 134 THR CB C 134 68.841 68.841 67.187 1.654 19354 13393 1 19 . 1 1 134 134 THR H H 134 8.067 8.067 8.272 -0.205 19354 13394 1 19 . 1 1 135 135 LEU N N 135 121.377 121.377 120.349 1.028 19354 13395 1 19 . 1 1 135 135 LEU HA H 135 3.964 3.964 4.382 -0.418 19354 13396 1 19 . 1 1 135 135 LEU C C 135 176.215 176.215 176.403 -0.188 19354 13397 1 19 . 1 1 135 135 LEU CA C 135 55.656 55.656 55.404 0.252 19354 13398 1 19 . 1 1 135 135 LEU CB C 135 42.291 42.291 43.259 -0.968 19354 13399 1 19 . 1 1 135 135 LEU H H 135 7.448 7.448 7.319 0.129 19354 13400 1 19 . 1 1 136 136 PHE N N 136 117.704 117.704 116.692 1.012 19354 13401 1 19 . 1 1 136 136 PHE HA H 136 5.202 5.202 4.793 0.409 19354 13402 1 19 . 1 1 136 136 PHE C C 136 179.412 179.412 173.457 5.955 19354 13403 1 19 . 1 1 136 136 PHE CA C 136 53.495 53.495 56.368 -2.873 19354 13404 1 19 . 1 1 136 136 PHE CB C 136 39.248 39.248 39.463 -0.215 19354 13405 1 19 . 1 1 136 136 PHE H H 136 7.542 7.542 7.922 -0.380 19354 13406 1 19 . 1 1 137 137 PRO HA H 137 4.528 4.528 4.399 0.129 19354 13407 1 19 . 1 1 137 137 PRO CA C 137 62.949 62.949 64.682 -1.733 19354 13408 1 19 . 1 1 137 137 PRO CB C 137 32.242 32.242 32.374 -0.132 19354 13409 1 19 . 1 1 138 138 THR N N 138 114.025 114.025 108.552 5.473 19354 13410 1 19 . 1 1 138 138 THR HA H 138 4.324 4.324 4.316 0.008 19354 13411 1 19 . 1 1 138 138 THR C C 138 174.175 174.175 175.124 -0.949 19354 13412 1 19 . 1 1 138 138 THR CA C 138 61.863 61.863 62.077 -0.214 19354 13413 1 19 . 1 1 138 138 THR CB C 138 69.742 69.742 68.996 0.746 19354 13414 1 19 . 1 1 138 138 THR H H 138 8.452 8.452 8.265 0.187 19354 13415 1 20 . 1 1 13 13 GLY N N 13 110.400 110.400 110.775 -0.375 19354 13416 1 20 . 1 1 13 13 GLY C C 13 173.560 173.560 171.616 1.944 19354 13417 1 20 . 1 1 13 13 GLY CA C 13 45.111 45.111 44.360 0.751 19354 13418 1 20 . 1 1 13 13 GLY H H 13 8.335 8.335 7.922 0.413 19354 13419 1 20 . 1 1 14 14 LEU N N 14 121.222 121.222 120.181 1.041 19354 13420 1 20 . 1 1 14 14 LEU HA H 14 4.378 4.378 4.465 -0.087 19354 13421 1 20 . 1 1 14 14 LEU C C 14 177.119 177.119 177.209 -0.090 19354 13422 1 20 . 1 1 14 14 LEU CA C 14 54.838 54.838 54.315 0.523 19354 13423 1 20 . 1 1 14 14 LEU CB C 14 42.429 42.429 43.544 -1.115 19354 13424 1 20 . 1 1 14 14 LEU H H 14 7.915 7.915 8.118 -0.203 19354 13425 1 20 . 1 1 15 15 VAL N N 15 123.222 123.222 116.637 6.585 19354 13426 1 20 . 1 1 15 15 VAL HA H 15 4.335 4.335 4.581 -0.246 19354 13427 1 20 . 1 1 15 15 VAL C C 15 175.602 175.602 175.022 0.580 19354 13428 1 20 . 1 1 15 15 VAL CA C 15 59.375 59.375 58.665 0.710 19354 13429 1 20 . 1 1 15 15 VAL CB C 15 33.197 33.197 32.011 1.186 19354 13430 1 20 . 1 1 15 15 VAL H H 15 8.297 8.297 8.078 0.219 19354 13431 1 20 . 1 1 16 16 PRO HA H 16 4.379 4.379 4.533 -0.154 19354 13432 1 20 . 1 1 16 16 PRO CA C 16 62.925 62.925 63.460 -0.535 19354 13433 1 20 . 1 1 16 16 PRO CB C 16 32.043 32.043 30.207 1.836 19354 13434 1 20 . 1 1 17 17 ARG N N 17 122.742 122.742 120.030 2.712 19354 13435 1 20 . 1 1 17 17 ARG HA H 17 4.219 4.219 4.406 -0.187 19354 13436 1 20 . 1 1 17 17 ARG C C 17 176.586 176.586 176.499 0.087 19354 13437 1 20 . 1 1 17 17 ARG CA C 17 55.479 55.479 55.329 0.150 19354 13438 1 20 . 1 1 17 17 ARG CB C 17 30.889 30.889 31.052 -0.163 19354 13439 1 20 . 1 1 17 17 ARG H H 17 8.469 8.469 8.490 -0.021 19354 13440 1 20 . 1 1 18 18 GLY N N 18 111.993 111.993 110.014 1.979 19354 13441 1 20 . 1 1 18 18 GLY C C 18 174.453 174.453 174.447 0.006 19354 13442 1 20 . 1 1 18 18 GLY CA C 18 45.670 45.670 45.831 -0.161 19354 13443 1 20 . 1 1 18 18 GLY H H 18 8.538 8.538 8.240 0.298 19354 13444 1 20 . 1 1 19 19 SER HA H 19 4.318 4.318 4.197 0.121 19354 13445 1 20 . 1 1 19 19 SER CA C 19 58.480 58.480 57.426 1.054 19354 13446 1 20 . 1 1 19 19 SER CB C 19 63.535 63.535 64.434 -0.899 19354 13447 1 20 . 1 1 20 20 HIS N N 20 120.039 120.039 119.969 0.070 19354 13448 1 20 . 1 1 20 20 HIS HA H 20 4.678 4.678 4.238 0.440 19354 13449 1 20 . 1 1 20 20 HIS C C 20 174.263 174.263 177.165 -2.902 19354 13450 1 20 . 1 1 20 20 HIS CA C 20 55.889 55.889 59.740 -3.851 19354 13451 1 20 . 1 1 20 20 HIS CB C 20 32.027 32.027 30.280 1.747 19354 13452 1 20 . 1 1 20 20 HIS H H 20 8.344 8.344 8.718 -0.374 19354 13453 1 20 . 1 1 21 21 MET N N 21 120.453 120.453 112.117 8.336 19354 13454 1 20 . 1 1 21 21 MET HA H 21 4.676 4.676 4.060 0.616 19354 13455 1 20 . 1 1 21 21 MET C C 21 174.808 174.808 175.569 -0.761 19354 13456 1 20 . 1 1 21 21 MET CA C 21 54.232 54.232 57.730 -3.498 19354 13457 1 20 . 1 1 21 21 MET CB C 21 32.377 32.377 31.394 0.983 19354 13458 1 20 . 1 1 21 21 MET H H 21 8.587 8.587 8.633 -0.046 19354 13459 1 20 . 1 1 22 22 VAL N N 22 112.794 112.794 117.990 -5.196 19354 13460 1 20 . 1 1 22 22 VAL HA H 22 5.297 5.297 5.181 0.116 19354 13461 1 20 . 1 1 22 22 VAL C C 22 175.218 175.218 174.554 0.664 19354 13462 1 20 . 1 1 22 22 VAL CA C 22 57.885 57.885 59.940 -2.054 19354 13463 1 20 . 1 1 22 22 VAL CB C 22 35.895 35.895 35.245 0.650 19354 13464 1 20 . 1 1 22 22 VAL H H 22 7.805 7.805 8.257 -0.452 19354 13465 1 20 . 1 1 23 23 ARG N N 23 117.854 117.854 119.448 -1.594 19354 13466 1 20 . 1 1 23 23 ARG HA H 23 4.578 4.578 4.647 -0.069 19354 13467 1 20 . 1 1 23 23 ARG C C 23 174.128 174.128 174.593 -0.465 19354 13468 1 20 . 1 1 23 23 ARG CA C 23 54.192 54.192 55.319 -1.127 19354 13469 1 20 . 1 1 23 23 ARG CB C 23 34.757 34.757 33.339 1.418 19354 13470 1 20 . 1 1 23 23 ARG H H 23 8.430 8.430 7.960 0.470 19354 13471 1 20 . 1 1 24 24 ARG N N 24 124.928 124.928 124.250 0.678 19354 13472 1 20 . 1 1 24 24 ARG HA H 24 4.619 4.619 4.469 0.150 19354 13473 1 20 . 1 1 24 24 ARG C C 24 176.265 176.265 175.284 0.981 19354 13474 1 20 . 1 1 24 24 ARG CA C 24 57.824 57.824 56.246 1.578 19354 13475 1 20 . 1 1 24 24 ARG CB C 24 29.913 29.913 27.901 2.012 19354 13476 1 20 . 1 1 24 24 ARG H H 24 8.569 8.569 8.564 0.005 19354 13477 1 20 . 1 1 25 25 ALA N N 25 127.390 127.390 124.297 3.093 19354 13478 1 20 . 1 1 25 25 ALA HA H 25 4.379 4.379 4.509 -0.130 19354 13479 1 20 . 1 1 25 25 ALA C C 25 174.173 174.173 177.280 -3.107 19354 13480 1 20 . 1 1 25 25 ALA CA C 25 51.382 51.382 50.313 1.069 19354 13481 1 20 . 1 1 25 25 ALA CB C 25 23.050 23.050 21.252 1.798 19354 13482 1 20 . 1 1 25 25 ALA H H 25 8.082 8.082 8.155 -0.073 19354 13483 1 20 . 1 1 26 26 ARG N N 26 116.820 116.820 121.861 -5.041 19354 13484 1 20 . 1 1 26 26 ARG HA H 26 4.692 4.692 4.128 0.564 19354 13485 1 20 . 1 1 26 26 ARG C C 26 177.847 177.847 174.950 2.897 19354 13486 1 20 . 1 1 26 26 ARG CA C 26 55.271 55.271 57.427 -2.156 19354 13487 1 20 . 1 1 26 26 ARG CB C 26 31.215 31.215 30.987 0.228 19354 13488 1 20 . 1 1 26 26 ARG H H 26 8.133 8.133 8.702 -0.569 19354 13489 1 20 . 1 1 27 27 CYS N N 27 126.567 126.567 122.174 4.393 19354 13490 1 20 . 1 1 27 27 CYS HA H 27 5.732 5.732 5.330 0.402 19354 13491 1 20 . 1 1 27 27 CYS C C 27 175.288 175.288 174.041 1.247 19354 13492 1 20 . 1 1 27 27 CYS CA C 27 51.785 51.785 57.344 -5.559 19354 13493 1 20 . 1 1 27 27 CYS CB C 27 38.246 38.246 30.238 8.008 19354 13494 1 20 . 1 1 27 27 CYS H H 27 9.709 9.709 8.303 1.406 19354 13495 1 20 . 1 1 28 28 TYR N N 28 120.309 120.309 120.332 -0.023 19354 13496 1 20 . 1 1 28 28 TYR HA H 28 5.079 5.079 5.052 0.027 19354 13497 1 20 . 1 1 28 28 TYR CA C 28 54.951 54.951 54.346 0.605 19354 13498 1 20 . 1 1 28 28 TYR CB C 28 39.807 39.807 38.857 0.950 19354 13499 1 20 . 1 1 28 28 TYR H H 28 8.870 8.870 8.912 -0.042 19354 13500 1 20 . 1 1 29 29 PRO HA H 29 4.836 4.836 4.903 -0.067 19354 13501 1 20 . 1 1 29 29 PRO CA C 29 61.773 61.773 62.616 -0.843 19354 13502 1 20 . 1 1 29 29 PRO CB C 29 31.173 31.173 32.215 -1.042 19354 13503 1 20 . 1 1 30 30 THR N N 30 115.177 115.177 120.407 -5.230 19354 13504 1 20 . 1 1 30 30 THR HA H 30 4.253 4.253 4.428 -0.175 19354 13505 1 20 . 1 1 30 30 THR C C 30 173.688 173.688 175.361 -1.673 19354 13506 1 20 . 1 1 30 30 THR CA C 30 61.324 61.324 64.038 -2.714 19354 13507 1 20 . 1 1 30 30 THR CB C 30 70.191 70.191 69.385 0.806 19354 13508 1 20 . 1 1 30 30 THR H H 30 7.978 7.978 8.557 -0.579 19354 13509 1 20 . 1 1 31 31 SER N N 31 116.822 116.822 115.316 1.506 19354 13510 1 20 . 1 1 31 31 SER HA H 31 4.702 4.702 4.621 0.081 19354 13511 1 20 . 1 1 31 31 SER C C 31 175.079 175.079 175.034 0.045 19354 13512 1 20 . 1 1 31 31 SER CA C 31 57.057 57.057 57.446 -0.389 19354 13513 1 20 . 1 1 31 31 SER CB C 31 66.020 66.020 65.512 0.508 19354 13514 1 20 . 1 1 31 31 SER H H 31 8.451 8.451 8.208 0.243 19354 13515 1 20 . 1 1 32 32 ASN N N 32 118.803 118.803 121.183 -2.380 19354 13516 1 20 . 1 1 32 32 ASN HA H 32 4.385 4.385 4.527 -0.142 19354 13517 1 20 . 1 1 32 32 ASN C C 32 175.705 175.705 176.049 -0.344 19354 13518 1 20 . 1 1 32 32 ASN CA C 32 55.564 55.564 55.726 -0.162 19354 13519 1 20 . 1 1 32 32 ASN CB C 32 37.637 37.637 38.948 -1.311 19354 13520 1 20 . 1 1 32 32 ASN H H 32 8.802 8.802 8.832 -0.030 19354 13521 1 20 . 1 1 33 33 ALA N N 33 118.571 118.571 120.423 -1.852 19354 13522 1 20 . 1 1 33 33 ALA HA H 33 4.262 4.262 4.384 -0.122 19354 13523 1 20 . 1 1 33 33 ALA C C 33 179.229 179.229 177.129 2.100 19354 13524 1 20 . 1 1 33 33 ALA CA C 33 53.087 53.087 53.332 -0.245 19354 13525 1 20 . 1 1 33 33 ALA CB C 33 19.563 19.563 19.917 -0.354 19354 13526 1 20 . 1 1 33 33 ALA H H 33 8.004 8.004 7.790 0.214 19354 13527 1 20 . 1 1 34 34 THR N N 34 106.312 106.312 110.818 -4.506 19354 13528 1 20 . 1 1 34 34 THR HA H 34 4.581 4.581 4.276 0.305 19354 13529 1 20 . 1 1 34 34 THR C C 34 175.334 175.334 172.735 2.599 19354 13530 1 20 . 1 1 34 34 THR CA C 34 60.586 60.586 61.943 -1.357 19354 13531 1 20 . 1 1 34 34 THR CB C 34 70.195 70.195 69.492 0.703 19354 13532 1 20 . 1 1 34 34 THR H H 34 7.551 7.551 7.664 -0.113 19354 13533 1 20 . 1 1 35 35 ASN N N 35 122.599 122.599 124.759 -2.160 19354 13534 1 20 . 1 1 35 35 ASN HA H 35 4.528 4.528 4.557 -0.029 19354 13535 1 20 . 1 1 35 35 ASN C C 35 174.221 174.221 175.148 -0.927 19354 13536 1 20 . 1 1 35 35 ASN CA C 35 52.790 52.790 53.933 -1.143 19354 13537 1 20 . 1 1 35 35 ASN CB C 35 36.768 36.768 39.524 -2.756 19354 13538 1 20 . 1 1 35 35 ASN H H 35 7.897 7.897 8.508 -0.611 19354 13539 1 20 . 1 1 36 36 THR N N 36 107.151 107.151 115.547 -8.396 19354 13540 1 20 . 1 1 36 36 THR HA H 36 4.979 4.979 4.507 0.472 19354 13541 1 20 . 1 1 36 36 THR C C 36 173.651 173.651 172.754 0.897 19354 13542 1 20 . 1 1 36 36 THR CA C 36 59.011 59.011 62.040 -3.029 19354 13543 1 20 . 1 1 36 36 THR CB C 36 72.745 72.745 71.585 1.160 19354 13544 1 20 . 1 1 36 36 THR H H 36 7.490 7.490 8.430 -0.940 19354 13545 1 20 . 1 1 37 37 CYS N N 37 118.809 118.809 123.903 -5.094 19354 13546 1 20 . 1 1 37 37 CYS HA H 37 4.095 4.095 4.928 -0.833 19354 13547 1 20 . 1 1 37 37 CYS C C 37 173.688 173.688 173.976 -0.288 19354 13548 1 20 . 1 1 37 37 CYS CA C 37 55.634 55.634 58.786 -3.152 19354 13549 1 20 . 1 1 37 37 CYS CB C 37 45.854 45.854 29.173 16.681 19354 13550 1 20 . 1 1 37 37 CYS H H 37 8.632 8.632 8.410 0.222 19354 13551 1 20 . 1 1 38 38 PHE N N 38 128.190 128.190 126.335 1.855 19354 13552 1 20 . 1 1 38 38 PHE HA H 38 4.275 4.275 4.314 -0.039 19354 13553 1 20 . 1 1 38 38 PHE C C 38 176.261 176.261 176.456 -0.195 19354 13554 1 20 . 1 1 38 38 PHE CA C 38 59.067 59.067 58.178 0.889 19354 13555 1 20 . 1 1 38 38 PHE CB C 38 36.576 36.576 37.375 -0.799 19354 13556 1 20 . 1 1 38 38 PHE H H 38 9.018 9.018 9.346 -0.328 19354 13557 1 20 . 1 1 39 39 GLY N N 39 104.504 104.504 107.059 -2.555 19354 13558 1 20 . 1 1 39 39 GLY C C 39 174.173 174.173 173.959 0.214 19354 13559 1 20 . 1 1 39 39 GLY CA C 39 45.112 45.112 45.278 -0.166 19354 13560 1 20 . 1 1 39 39 GLY H H 39 8.566 8.566 8.574 -0.008 19354 13561 1 20 . 1 1 40 40 SER N N 40 116.201 116.201 115.973 0.228 19354 13562 1 20 . 1 1 40 40 SER HA H 40 4.529 4.529 4.624 -0.095 19354 13563 1 20 . 1 1 40 40 SER C C 40 173.873 173.873 173.680 0.193 19354 13564 1 20 . 1 1 40 40 SER CA C 40 57.436 57.436 57.799 -0.363 19354 13565 1 20 . 1 1 40 40 SER CB C 40 63.718 63.718 64.975 -1.257 19354 13566 1 20 . 1 1 40 40 SER H H 40 7.533 7.533 7.741 -0.208 19354 13567 1 20 . 1 1 41 41 LYS N N 41 127.456 127.456 127.175 0.281 19354 13568 1 20 . 1 1 41 41 LYS HA H 41 4.056 4.056 4.155 -0.099 19354 13569 1 20 . 1 1 41 41 LYS C C 41 176.632 176.632 176.245 0.387 19354 13570 1 20 . 1 1 41 41 LYS CA C 41 56.409 56.409 57.356 -0.947 19354 13571 1 20 . 1 1 41 41 LYS CB C 41 32.169 32.169 32.421 -0.252 19354 13572 1 20 . 1 1 41 41 LYS H H 41 8.768 8.768 8.457 0.311 19354 13573 1 20 . 1 1 42 42 LEU N N 42 128.016 128.016 125.553 2.463 19354 13574 1 20 . 1 1 42 42 LEU HA H 42 4.120 4.120 4.304 -0.184 19354 13575 1 20 . 1 1 42 42 LEU CA C 42 52.010 52.010 51.487 0.523 19354 13576 1 20 . 1 1 42 42 LEU CB C 42 40.680 40.680 40.162 0.518 19354 13577 1 20 . 1 1 42 42 LEU H H 42 8.304 8.304 8.340 -0.036 19354 13578 1 20 . 1 1 43 43 PRO HA H 43 4.453 4.453 4.270 0.183 19354 13579 1 20 . 1 1 43 43 PRO CA C 43 62.807 62.807 64.108 -1.301 19354 13580 1 20 . 1 1 43 43 PRO CB C 43 29.625 29.625 31.654 -2.029 19354 13581 1 20 . 1 1 44 44 TYR N N 44 116.871 116.871 114.165 2.706 19354 13582 1 20 . 1 1 44 44 TYR HA H 44 4.689 4.689 4.919 -0.230 19354 13583 1 20 . 1 1 44 44 TYR C C 44 175.239 175.239 174.979 0.260 19354 13584 1 20 . 1 1 44 44 TYR CA C 44 53.718 53.718 54.825 -1.107 19354 13585 1 20 . 1 1 44 44 TYR CB C 44 38.637 38.637 40.211 -1.574 19354 13586 1 20 . 1 1 44 44 TYR H H 44 6.311 6.311 6.526 -0.215 19354 13587 1 20 . 1 1 45 45 GLU N N 45 118.221 118.221 117.531 0.690 19354 13588 1 20 . 1 1 45 45 GLU HA H 45 4.138 4.138 4.580 -0.442 19354 13589 1 20 . 1 1 45 45 GLU C C 45 176.282 176.282 174.641 1.641 19354 13590 1 20 . 1 1 45 45 GLU CA C 45 57.502 57.502 56.090 1.412 19354 13591 1 20 . 1 1 45 45 GLU CB C 45 31.105 31.105 30.668 0.437 19354 13592 1 20 . 1 1 45 45 GLU H H 45 8.591 8.591 8.881 -0.290 19354 13593 1 20 . 1 1 46 46 LEU N N 46 119.826 119.826 119.459 0.367 19354 13594 1 20 . 1 1 46 46 LEU HA H 46 4.974 4.974 5.314 -0.340 19354 13595 1 20 . 1 1 46 46 LEU C C 46 175.420 175.420 176.037 -0.617 19354 13596 1 20 . 1 1 46 46 LEU CA C 46 53.202 53.202 53.266 -0.064 19354 13597 1 20 . 1 1 46 46 LEU CB C 46 43.587 43.587 45.674 -2.087 19354 13598 1 20 . 1 1 46 46 LEU H H 46 8.176 8.176 7.694 0.482 19354 13599 1 20 . 1 1 47 47 SER N N 47 111.561 111.561 112.948 -1.387 19354 13600 1 20 . 1 1 47 47 SER HA H 47 5.020 5.020 4.572 0.448 19354 13601 1 20 . 1 1 47 47 SER C C 47 173.833 173.833 172.204 1.629 19354 13602 1 20 . 1 1 47 47 SER CA C 47 53.006 53.006 56.941 -3.935 19354 13603 1 20 . 1 1 47 47 SER CB C 47 64.691 64.691 64.799 -0.108 19354 13604 1 20 . 1 1 47 47 SER H H 47 7.924 7.924 8.377 -0.453 19354 13605 1 20 . 1 1 48 48 SER N N 48 111.459 111.459 121.651 -10.192 19354 13606 1 20 . 1 1 48 48 SER HA H 48 4.841 4.841 4.951 -0.110 19354 13607 1 20 . 1 1 48 48 SER C C 48 175.602 175.602 175.053 0.549 19354 13608 1 20 . 1 1 48 48 SER CA C 48 57.388 57.388 55.932 1.456 19354 13609 1 20 . 1 1 48 48 SER CB C 48 66.333 66.333 64.948 1.385 19354 13610 1 20 . 1 1 48 48 SER H H 48 8.628 8.628 8.434 0.194 19354 13611 1 20 . 1 1 49 49 LEU N N 49 128.995 128.995 128.170 0.825 19354 13612 1 20 . 1 1 49 49 LEU HA H 49 4.383 4.383 4.329 0.054 19354 13613 1 20 . 1 1 49 49 LEU C C 49 179.571 179.571 178.325 1.246 19354 13614 1 20 . 1 1 49 49 LEU CA C 49 56.032 56.032 57.295 -1.263 19354 13615 1 20 . 1 1 49 49 LEU CB C 49 41.904 41.904 41.462 0.441 19354 13616 1 20 . 1 1 49 49 LEU H H 49 9.519 9.519 9.371 0.148 19354 13617 1 20 . 1 1 50 50 ASP N N 50 115.013 115.013 119.988 -4.975 19354 13618 1 20 . 1 1 50 50 ASP HA H 50 4.168 4.168 4.414 -0.246 19354 13619 1 20 . 1 1 50 50 ASP C C 50 176.486 176.486 178.639 -2.153 19354 13620 1 20 . 1 1 50 50 ASP CA C 50 58.352 58.352 56.894 1.458 19354 13621 1 20 . 1 1 50 50 ASP CB C 50 41.259 41.259 40.639 0.620 19354 13622 1 20 . 1 1 50 50 ASP H H 50 8.191 8.191 8.455 -0.264 19354 13623 1 20 . 1 1 51 51 LEU N N 51 118.298 118.298 119.465 -1.167 19354 13624 1 20 . 1 1 51 51 LEU HA H 51 4.329 4.329 4.158 0.171 19354 13625 1 20 . 1 1 51 51 LEU C C 51 175.556 175.556 176.594 -1.038 19354 13626 1 20 . 1 1 51 51 LEU CA C 51 54.483 54.483 56.188 -1.705 19354 13627 1 20 . 1 1 51 51 LEU CB C 51 39.219 39.219 42.549 -3.330 19354 13628 1 20 . 1 1 51 51 LEU H H 51 8.732 8.732 7.709 1.023 19354 13629 1 20 . 1 1 52 52 THR N N 52 106.427 106.427 108.814 -2.387 19354 13630 1 20 . 1 1 52 52 THR HA H 52 2.784 2.784 4.447 -1.663 19354 13631 1 20 . 1 1 52 52 THR C C 52 172.812 172.812 173.657 -0.845 19354 13632 1 20 . 1 1 52 52 THR CA C 52 58.759 58.759 60.197 -1.438 19354 13633 1 20 . 1 1 52 52 THR CB C 52 71.985 71.985 70.828 1.157 19354 13634 1 20 . 1 1 52 52 THR H H 52 7.574 7.574 7.484 0.090 19354 13635 1 20 . 1 1 53 53 ASP HA H 53 4.398 4.398 4.566 -0.168 19354 13636 1 20 . 1 1 53 53 ASP CA C 53 52.757 52.757 52.841 -0.084 19354 13637 1 20 . 1 1 53 53 ASP CB C 53 40.737 40.737 39.993 0.744 19354 13638 1 20 . 1 1 54 54 PHE N N 54 117.929 117.929 117.978 -0.049 19354 13639 1 20 . 1 1 54 54 PHE HA H 54 4.498 4.498 4.643 -0.145 19354 13640 1 20 . 1 1 54 54 PHE C C 54 176.169 176.169 175.163 1.006 19354 13641 1 20 . 1 1 54 54 PHE CA C 54 57.477 57.477 55.822 1.655 19354 13642 1 20 . 1 1 54 54 PHE CB C 54 39.270 39.270 41.266 -1.996 19354 13643 1 20 . 1 1 54 54 PHE H H 54 7.575 7.575 7.342 0.233 19354 13644 1 20 . 1 1 55 55 HIS N N 55 115.333 115.333 118.317 -2.984 19354 13645 1 20 . 1 1 55 55 HIS HA H 55 4.585 4.585 4.721 -0.136 19354 13646 1 20 . 1 1 55 55 HIS C C 55 175.080 175.080 175.226 -0.146 19354 13647 1 20 . 1 1 55 55 HIS CA C 55 56.439 56.439 58.034 -1.595 19354 13648 1 20 . 1 1 55 55 HIS CB C 55 31.104 31.104 31.078 0.026 19354 13649 1 20 . 1 1 55 55 HIS H H 55 9.230 9.230 9.158 0.072 19354 13650 1 20 . 1 1 56 56 THR N N 56 106.891 106.891 109.593 -2.702 19354 13651 1 20 . 1 1 56 56 THR HA H 56 4.528 4.528 4.513 0.015 19354 13652 1 20 . 1 1 56 56 THR C C 56 173.696 173.696 174.940 -1.244 19354 13653 1 20 . 1 1 56 56 THR CA C 56 58.725 58.725 60.648 -1.923 19354 13654 1 20 . 1 1 56 56 THR CB C 56 72.851 72.851 70.344 2.507 19354 13655 1 20 . 1 1 56 56 THR H H 56 7.343 7.343 7.784 -0.441 19354 13656 1 20 . 1 1 57 57 GLU N N 57 121.798 121.798 119.257 2.541 19354 13657 1 20 . 1 1 57 57 GLU HA H 57 3.611 3.611 4.174 -0.563 19354 13658 1 20 . 1 1 57 57 GLU C C 57 178.417 178.417 178.233 0.184 19354 13659 1 20 . 1 1 57 57 GLU CA C 57 59.380 59.380 58.895 0.485 19354 13660 1 20 . 1 1 57 57 GLU CB C 57 29.873 29.873 29.854 0.019 19354 13661 1 20 . 1 1 57 57 GLU H H 57 8.841 8.841 8.660 0.181 19354 13662 1 20 . 1 1 58 58 LYS N N 58 121.091 121.091 119.866 1.225 19354 13663 1 20 . 1 1 58 58 LYS HA H 58 3.903 3.903 3.968 -0.065 19354 13664 1 20 . 1 1 58 58 LYS C C 58 177.745 177.745 178.454 -0.709 19354 13665 1 20 . 1 1 58 58 LYS CA C 58 59.470 59.470 59.145 0.325 19354 13666 1 20 . 1 1 58 58 LYS CB C 58 32.130 32.130 31.697 0.433 19354 13667 1 20 . 1 1 58 58 LYS H H 58 8.307 8.307 7.714 0.593 19354 13668 1 20 . 1 1 59 59 GLU N N 59 117.790 117.790 119.667 -1.877 19354 13669 1 20 . 1 1 59 59 GLU HA H 59 3.852 3.852 3.960 -0.108 19354 13670 1 20 . 1 1 59 59 GLU C C 59 178.051 178.051 178.395 -0.344 19354 13671 1 20 . 1 1 59 59 GLU CA C 59 59.094 59.094 59.558 -0.464 19354 13672 1 20 . 1 1 59 59 GLU CB C 59 30.468 30.468 29.352 1.117 19354 13673 1 20 . 1 1 59 59 GLU H H 59 7.537 7.537 7.621 -0.084 19354 13674 1 20 . 1 1 60 60 LEU N N 60 118.763 118.763 120.337 -1.574 19354 13675 1 20 . 1 1 60 60 LEU HA H 60 3.211 3.211 2.552 0.659 19354 13676 1 20 . 1 1 60 60 LEU C C 60 178.070 178.070 178.247 -0.177 19354 13677 1 20 . 1 1 60 60 LEU CA C 60 59.007 59.007 57.180 1.827 19354 13678 1 20 . 1 1 60 60 LEU CB C 60 42.750 42.750 41.774 0.976 19354 13679 1 20 . 1 1 60 60 LEU H H 60 7.321 7.321 7.125 0.196 19354 13680 1 20 . 1 1 61 61 ASN N N 61 116.987 116.987 116.461 0.526 19354 13681 1 20 . 1 1 61 61 ASN HA H 61 4.127 4.127 4.258 -0.131 19354 13682 1 20 . 1 1 61 61 ASN C C 61 177.689 177.689 177.005 0.684 19354 13683 1 20 . 1 1 61 61 ASN CA C 61 57.310 57.310 56.170 1.140 19354 13684 1 20 . 1 1 61 61 ASN CB C 61 39.288 39.288 38.347 0.941 19354 13685 1 20 . 1 1 61 61 ASN H H 61 8.335 8.335 8.013 0.322 19354 13686 1 20 . 1 1 62 62 ASP N N 62 120.935 120.935 118.693 2.242 19354 13687 1 20 . 1 1 62 62 ASP HA H 62 4.306 4.306 4.587 -0.281 19354 13688 1 20 . 1 1 62 62 ASP C C 62 178.868 178.868 177.907 0.961 19354 13689 1 20 . 1 1 62 62 ASP CA C 62 57.510 57.510 56.377 1.133 19354 13690 1 20 . 1 1 62 62 ASP CB C 62 39.596 39.596 40.918 -1.322 19354 13691 1 20 . 1 1 62 62 ASP H H 62 8.376 8.376 7.840 0.536 19354 13692 1 20 . 1 1 63 63 LYS N N 63 119.626 119.626 121.552 -1.926 19354 13693 1 20 . 1 1 63 63 LYS HA H 63 4.168 4.168 4.154 0.014 19354 13694 1 20 . 1 1 63 63 LYS C C 63 179.458 179.458 178.543 0.915 19354 13695 1 20 . 1 1 63 63 LYS CA C 63 55.698 55.698 58.470 -2.772 19354 13696 1 20 . 1 1 63 63 LYS CB C 63 31.082 31.082 31.572 -0.490 19354 13697 1 20 . 1 1 63 63 LYS H H 63 7.748 7.748 7.794 -0.046 19354 13698 1 20 . 1 1 64 64 LEU N N 64 120.255 120.255 119.857 0.398 19354 13699 1 20 . 1 1 64 64 LEU HA H 64 3.688 3.688 3.967 -0.279 19354 13700 1 20 . 1 1 64 64 LEU C C 64 178.732 178.732 178.753 -0.021 19354 13701 1 20 . 1 1 64 64 LEU CA C 64 57.722 57.722 57.827 -0.105 19354 13702 1 20 . 1 1 64 64 LEU CB C 64 41.236 41.236 40.782 0.454 19354 13703 1 20 . 1 1 64 64 LEU H H 64 8.221 8.221 7.594 0.627 19354 13704 1 20 . 1 1 65 65 ASN N N 65 113.630 113.630 118.375 -4.745 19354 13705 1 20 . 1 1 65 65 ASN HA H 65 4.580 4.580 4.472 0.108 19354 13706 1 20 . 1 1 65 65 ASN C C 65 178.394 178.394 177.682 0.712 19354 13707 1 20 . 1 1 65 65 ASN CA C 65 55.628 55.628 56.845 -1.217 19354 13708 1 20 . 1 1 65 65 ASN CB C 65 38.269 38.269 38.226 0.043 19354 13709 1 20 . 1 1 65 65 ASN H H 65 7.482 7.482 7.903 -0.421 19354 13710 1 20 . 1 1 66 66 ASP N N 66 120.683 120.683 119.482 1.201 19354 13711 1 20 . 1 1 66 66 ASP HA H 66 4.482 4.482 4.462 0.020 19354 13712 1 20 . 1 1 66 66 ASP C C 66 179.095 179.095 178.857 0.238 19354 13713 1 20 . 1 1 66 66 ASP CA C 66 56.623 56.623 58.026 -1.403 19354 13714 1 20 . 1 1 66 66 ASP CB C 66 39.883 39.883 41.064 -1.181 19354 13715 1 20 . 1 1 66 66 ASP H H 66 7.834 7.834 8.496 -0.662 19354 13716 1 20 . 1 1 67 67 TYR N N 67 116.512 116.512 119.121 -2.609 19354 13717 1 20 . 1 1 67 67 TYR HA H 67 3.984 3.984 4.578 -0.594 19354 13718 1 20 . 1 1 67 67 TYR C C 67 176.554 176.554 177.434 -0.880 19354 13719 1 20 . 1 1 67 67 TYR CA C 67 62.142 62.142 60.183 1.959 19354 13720 1 20 . 1 1 67 67 TYR CB C 67 37.436 37.436 38.314 -0.878 19354 13721 1 20 . 1 1 67 67 TYR H H 67 8.132 8.132 7.643 0.489 19354 13722 1 20 . 1 1 68 68 TYR N N 68 118.786 118.786 120.518 -1.732 19354 13723 1 20 . 1 1 68 68 TYR HA H 68 3.632 3.632 3.301 0.331 19354 13724 1 20 . 1 1 68 68 TYR C C 68 177.915 177.915 177.835 0.080 19354 13725 1 20 . 1 1 68 68 TYR CA C 68 61.395 61.395 61.932 -0.537 19354 13726 1 20 . 1 1 68 68 TYR CB C 68 37.345 37.345 37.210 0.135 19354 13727 1 20 . 1 1 68 68 TYR H H 68 7.558 7.558 8.425 -0.867 19354 13728 1 20 . 1 1 69 69 ALA N N 69 120.715 120.715 122.074 -1.359 19354 13729 1 20 . 1 1 69 69 ALA HA H 69 3.935 3.935 4.015 -0.080 19354 13730 1 20 . 1 1 69 69 ALA C C 69 179.390 179.390 179.408 -0.018 19354 13731 1 20 . 1 1 69 69 ALA CA C 69 54.015 54.015 54.675 -0.660 19354 13732 1 20 . 1 1 69 69 ALA CB C 69 18.529 18.529 17.794 0.735 19354 13733 1 20 . 1 1 69 69 ALA H H 69 7.453 7.453 7.778 -0.325 19354 13734 1 20 . 1 1 70 70 LEU N N 70 117.212 117.212 119.268 -2.056 19354 13735 1 20 . 1 1 70 70 LEU HA H 70 3.765 3.765 4.041 -0.276 19354 13736 1 20 . 1 1 70 70 LEU C C 70 177.280 177.280 178.147 -0.867 19354 13737 1 20 . 1 1 70 70 LEU CA C 70 56.634 56.634 57.045 -0.411 19354 13738 1 20 . 1 1 70 70 LEU CB C 70 41.045 41.045 42.059 -1.014 19354 13739 1 20 . 1 1 70 70 LEU H H 70 7.764 7.764 8.238 -0.474 19354 13740 1 20 . 1 1 71 71 LYS N N 71 118.756 118.756 118.672 0.084 19354 13741 1 20 . 1 1 71 71 LYS HA H 71 3.039 3.039 3.669 -0.630 19354 13742 1 20 . 1 1 71 71 LYS C C 71 177.121 177.121 177.996 -0.875 19354 13743 1 20 . 1 1 71 71 LYS CA C 71 58.865 58.865 58.902 -0.037 19354 13744 1 20 . 1 1 71 71 LYS CB C 71 31.247 31.247 31.315 -0.068 19354 13745 1 20 . 1 1 71 71 LYS H H 71 7.001 7.001 8.097 -1.096 19354 13746 1 20 . 1 1 72 72 HIS N N 72 113.331 113.331 118.618 -5.287 19354 13747 1 20 . 1 1 72 72 HIS HA H 72 4.304 4.304 4.280 0.024 19354 13748 1 20 . 1 1 72 72 HIS C C 72 174.232 174.232 176.091 -1.859 19354 13749 1 20 . 1 1 72 72 HIS CA C 72 57.245 57.245 58.662 -1.417 19354 13750 1 20 . 1 1 72 72 HIS CB C 72 30.221 30.221 30.112 0.109 19354 13751 1 20 . 1 1 72 72 HIS H H 72 6.973 6.973 7.662 -0.689 19354 13752 1 20 . 1 1 73 73 VAL N N 73 121.486 121.486 120.052 1.434 19354 13753 1 20 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.396 0.135 19354 13754 1 20 . 1 1 73 73 VAL CA C 73 59.159 59.159 60.138 -0.979 19354 13755 1 20 . 1 1 73 73 VAL CB C 73 30.604 30.604 32.863 -2.259 19354 13756 1 20 . 1 1 73 73 VAL H H 73 7.821 7.821 7.868 -0.047 19354 13757 1 20 . 1 1 74 74 PRO HA H 74 4.070 4.070 4.587 -0.517 19354 13758 1 20 . 1 1 74 74 PRO CA C 74 66.637 66.637 65.385 1.252 19354 13759 1 20 . 1 1 74 74 PRO CB C 74 32.212 32.212 32.217 -0.005 19354 13760 1 20 . 1 1 75 75 LYS N N 75 116.832 116.832 120.167 -3.335 19354 13761 1 20 . 1 1 75 75 LYS HA H 75 4.099 4.099 4.125 -0.026 19354 13762 1 20 . 1 1 75 75 LYS C C 75 180.048 180.048 177.684 2.364 19354 13763 1 20 . 1 1 75 75 LYS CA C 75 59.398 59.398 59.152 0.246 19354 13764 1 20 . 1 1 75 75 LYS CB C 75 31.296 31.296 31.143 0.153 19354 13765 1 20 . 1 1 75 75 LYS H H 75 9.234 9.234 8.675 0.559 19354 13766 1 20 . 1 1 76 76 CYS N N 76 116.333 116.333 117.073 -0.740 19354 13767 1 20 . 1 1 76 76 CYS HA H 76 4.320 4.320 4.631 -0.311 19354 13768 1 20 . 1 1 76 76 CYS C C 76 175.012 175.012 176.573 -1.561 19354 13769 1 20 . 1 1 76 76 CYS CA C 76 58.297 58.297 60.505 -2.208 19354 13770 1 20 . 1 1 76 76 CYS CB C 76 38.803 38.803 26.987 11.816 19354 13771 1 20 . 1 1 76 76 CYS H H 76 7.496 7.496 8.186 -0.690 19354 13772 1 20 . 1 1 77 77 TRP N N 77 119.987 119.987 123.228 -3.241 19354 13773 1 20 . 1 1 77 77 TRP HA H 77 4.452 4.452 4.302 0.150 19354 13774 1 20 . 1 1 77 77 TRP C C 77 177.462 177.462 177.897 -0.435 19354 13775 1 20 . 1 1 77 77 TRP CA C 77 58.821 58.821 60.044 -1.222 19354 13776 1 20 . 1 1 77 77 TRP CB C 77 30.425 30.425 29.237 1.188 19354 13777 1 20 . 1 1 77 77 TRP H H 77 8.254 8.254 8.414 -0.160 19354 13778 1 20 . 1 1 78 78 ALA N N 78 116.093 116.093 119.203 -3.110 19354 13779 1 20 . 1 1 78 78 ALA HA H 78 3.736 3.736 3.628 0.108 19354 13780 1 20 . 1 1 78 78 ALA C C 78 178.845 178.845 178.953 -0.108 19354 13781 1 20 . 1 1 78 78 ALA CA C 78 54.188 54.188 53.651 0.537 19354 13782 1 20 . 1 1 78 78 ALA CB C 78 18.323 18.323 17.758 0.565 19354 13783 1 20 . 1 1 78 78 ALA H H 78 7.968 7.968 8.057 -0.089 19354 13784 1 20 . 1 1 79 79 ALA N N 79 116.351 116.351 121.441 -5.090 19354 13785 1 20 . 1 1 79 79 ALA HA H 79 4.147 4.147 4.232 -0.085 19354 13786 1 20 . 1 1 79 79 ALA C C 79 178.414 178.414 177.908 0.506 19354 13787 1 20 . 1 1 79 79 ALA CA C 79 53.243 53.243 54.184 -0.941 19354 13788 1 20 . 1 1 79 79 ALA CB C 79 19.832 19.832 19.154 0.678 19354 13789 1 20 . 1 1 79 79 ALA H H 79 6.929 6.929 7.362 -0.433 19354 13790 1 20 . 1 1 80 80 ILE N N 80 115.150 115.150 117.121 -1.971 19354 13791 1 20 . 1 1 80 80 ILE HA H 80 4.218 4.218 4.188 0.030 19354 13792 1 20 . 1 1 80 80 ILE C C 80 176.350 176.350 176.185 0.165 19354 13793 1 20 . 1 1 80 80 ILE CA C 80 62.069 62.069 59.873 2.196 19354 13794 1 20 . 1 1 80 80 ILE CB C 80 39.375 39.375 37.897 1.478 19354 13795 1 20 . 1 1 80 80 ILE H H 80 8.695 8.695 7.561 1.134 19354 13796 1 20 . 1 1 81 81 GLN N N 81 122.564 122.564 121.526 1.038 19354 13797 1 20 . 1 1 81 81 GLN HA H 81 3.332 3.332 3.903 -0.571 19354 13798 1 20 . 1 1 81 81 GLN C C 81 173.470 173.470 175.162 -1.692 19354 13799 1 20 . 1 1 81 81 GLN CA C 81 61.829 61.829 61.177 0.652 19354 13800 1 20 . 1 1 81 81 GLN CB C 81 25.973 25.973 26.977 -1.004 19354 13801 1 20 . 1 1 81 81 GLN H H 81 7.315 7.315 7.285 0.030 19354 13802 1 20 . 1 1 82 82 PRO HA H 82 4.076 4.076 4.196 -0.119 19354 13803 1 20 . 1 1 82 82 PRO CA C 82 65.894 65.894 64.743 1.151 19354 13804 1 20 . 1 1 82 82 PRO CB C 82 30.481 30.481 31.530 -1.049 19354 13805 1 20 . 1 1 83 83 PHE N N 83 119.137 119.137 118.172 0.965 19354 13806 1 20 . 1 1 83 83 PHE HA H 83 4.289 4.289 4.317 -0.028 19354 13807 1 20 . 1 1 83 83 PHE C C 83 175.919 175.919 175.950 -0.031 19354 13808 1 20 . 1 1 83 83 PHE CA C 83 59.712 59.712 57.086 2.626 19354 13809 1 20 . 1 1 83 83 PHE CB C 83 39.329 39.329 38.955 0.374 19354 13810 1 20 . 1 1 83 83 PHE H H 83 6.892 6.892 7.793 -0.901 19354 13811 1 20 . 1 1 84 84 LEU N N 84 116.693 116.693 119.615 -2.922 19354 13812 1 20 . 1 1 84 84 LEU HA H 84 3.611 3.611 3.188 0.423 19354 13813 1 20 . 1 1 84 84 LEU C C 84 180.297 180.297 177.525 2.772 19354 13814 1 20 . 1 1 84 84 LEU CA C 84 57.952 57.952 57.438 0.514 19354 13815 1 20 . 1 1 84 84 LEU CB C 84 41.645 41.645 40.518 1.127 19354 13816 1 20 . 1 1 84 84 LEU H H 84 8.589 8.589 7.704 0.885 19354 13817 1 20 . 1 1 85 85 CYS N N 85 115.085 115.085 115.109 -0.024 19354 13818 1 20 . 1 1 85 85 CYS HA H 85 4.127 4.127 4.304 -0.177 19354 13819 1 20 . 1 1 85 85 CYS C C 85 175.556 175.556 176.206 -0.650 19354 13820 1 20 . 1 1 85 85 CYS CA C 85 57.678 57.678 60.367 -2.689 19354 13821 1 20 . 1 1 85 85 CYS CB C 85 39.396 39.396 27.276 12.120 19354 13822 1 20 . 1 1 85 85 CYS H H 85 8.001 8.001 7.202 0.799 19354 13823 1 20 . 1 1 86 86 ALA N N 86 121.743 121.743 121.714 0.029 19354 13824 1 20 . 1 1 86 86 ALA HA H 86 3.922 3.922 4.265 -0.343 19354 13825 1 20 . 1 1 86 86 ALA C C 86 177.745 177.745 177.093 0.652 19354 13826 1 20 . 1 1 86 86 ALA CA C 86 54.306 54.306 53.585 0.721 19354 13827 1 20 . 1 1 86 86 ALA CB C 86 18.778 18.778 18.444 0.334 19354 13828 1 20 . 1 1 86 86 ALA H H 86 7.671 7.671 7.466 0.205 19354 13829 1 20 . 1 1 87 87 VAL N N 87 115.667 115.667 115.586 0.081 19354 13830 1 20 . 1 1 87 87 VAL HA H 87 3.735 3.735 3.433 0.302 19354 13831 1 20 . 1 1 87 87 VAL C C 87 175.806 175.806 175.336 0.470 19354 13832 1 20 . 1 1 87 87 VAL CA C 87 64.622 64.622 63.563 1.058 19354 13833 1 20 . 1 1 87 87 VAL CB C 87 32.936 32.936 31.937 0.999 19354 13834 1 20 . 1 1 87 87 VAL H H 87 7.460 7.460 7.129 0.331 19354 13835 1 20 . 1 1 88 88 PHE N N 88 115.306 115.306 116.615 -1.309 19354 13836 1 20 . 1 1 88 88 PHE HA H 88 4.048 4.048 4.751 -0.703 19354 13837 1 20 . 1 1 88 88 PHE C C 88 176.192 176.192 175.271 0.921 19354 13838 1 20 . 1 1 88 88 PHE CA C 88 60.420 60.420 58.275 2.145 19354 13839 1 20 . 1 1 88 88 PHE CB C 88 40.182 40.182 40.183 -0.001 19354 13840 1 20 . 1 1 88 88 PHE H H 88 8.930 8.930 7.018 1.912 19354 13841 1 20 . 1 1 89 89 LYS N N 89 115.470 115.470 119.645 -4.175 19354 13842 1 20 . 1 1 89 89 LYS HA H 89 4.816 4.816 4.793 0.022 19354 13843 1 20 . 1 1 89 89 LYS C C 89 184.176 184.176 174.181 9.995 19354 13844 1 20 . 1 1 89 89 LYS CA C 89 53.428 53.428 53.547 -0.119 19354 13845 1 20 . 1 1 89 89 LYS CB C 89 33.274 33.274 32.295 0.979 19354 13846 1 20 . 1 1 89 89 LYS H H 89 7.802 7.802 7.602 0.200 19354 13847 1 20 . 1 1 90 90 PRO HA H 90 4.250 4.250 4.286 -0.036 19354 13848 1 20 . 1 1 90 90 PRO CA C 90 62.682 62.682 62.306 0.376 19354 13849 1 20 . 1 1 90 90 PRO CB C 90 32.358 32.358 32.477 -0.119 19354 13850 1 20 . 1 1 91 91 LYS N N 91 122.391 122.391 120.959 1.432 19354 13851 1 20 . 1 1 91 91 LYS HA H 91 3.039 3.039 3.084 -0.045 19354 13852 1 20 . 1 1 91 91 LYS C C 91 173.356 173.356 175.547 -2.191 19354 13853 1 20 . 1 1 91 91 LYS CA C 91 58.027 58.027 55.444 2.583 19354 13854 1 20 . 1 1 91 91 LYS CB C 91 31.285 31.285 32.275 -0.990 19354 13855 1 20 . 1 1 91 91 LYS H H 91 8.537 8.537 8.236 0.301 19354 13856 1 20 . 1 1 92 92 CYS N N 92 127.562 127.562 127.448 0.114 19354 13857 1 20 . 1 1 92 92 CYS HA H 92 5.391 5.391 4.768 0.624 19354 13858 1 20 . 1 1 92 92 CYS C C 92 171.655 171.655 173.612 -1.957 19354 13859 1 20 . 1 1 92 92 CYS CA C 92 53.804 53.804 57.844 -4.040 19354 13860 1 20 . 1 1 92 92 CYS CB C 92 41.219 41.219 28.368 12.851 19354 13861 1 20 . 1 1 92 92 CYS H H 92 7.037 7.037 8.226 -1.189 19354 13862 1 20 . 1 1 93 93 GLU N N 93 124.483 124.483 125.848 -1.365 19354 13863 1 20 . 1 1 93 93 GLU HA H 93 4.492 4.492 4.679 -0.187 19354 13864 1 20 . 1 1 93 93 GLU C C 93 173.371 173.371 174.728 -1.357 19354 13865 1 20 . 1 1 93 93 GLU CA C 93 54.874 54.874 54.920 -0.046 19354 13866 1 20 . 1 1 93 93 GLU CB C 93 34.630 34.630 33.967 0.663 19354 13867 1 20 . 1 1 93 93 GLU H H 93 9.401 9.401 8.624 0.777 19354 13868 1 20 . 1 1 94 94 LYS N N 94 122.694 122.694 122.102 0.592 19354 13869 1 20 . 1 1 94 94 LYS HA H 94 4.581 4.581 4.696 -0.115 19354 13870 1 20 . 1 1 94 94 LYS C C 94 176.509 176.509 176.170 0.339 19354 13871 1 20 . 1 1 94 94 LYS CA C 94 55.856 55.856 55.414 0.442 19354 13872 1 20 . 1 1 94 94 LYS CB C 94 31.809 31.809 32.936 -1.127 19354 13873 1 20 . 1 1 94 94 LYS H H 94 8.526 8.526 8.539 -0.013 19354 13874 1 20 . 1 1 95 95 ILE N N 95 128.382 128.382 126.110 2.272 19354 13875 1 20 . 1 1 95 95 ILE HA H 95 4.049 4.049 4.088 -0.039 19354 13876 1 20 . 1 1 95 95 ILE C C 95 176.337 176.337 176.045 0.292 19354 13877 1 20 . 1 1 95 95 ILE CA C 95 60.847 60.847 60.469 0.378 19354 13878 1 20 . 1 1 95 95 ILE CB C 95 39.625 39.625 38.053 1.572 19354 13879 1 20 . 1 1 95 95 ILE H H 95 9.001 9.001 8.511 0.490 19354 13880 1 20 . 1 1 96 96 ASN N N 96 127.596 127.596 127.450 0.146 19354 13881 1 20 . 1 1 96 96 ASN HA H 96 4.212 4.212 4.450 -0.238 19354 13882 1 20 . 1 1 96 96 ASN C C 96 175.496 175.496 175.094 0.402 19354 13883 1 20 . 1 1 96 96 ASN CA C 96 53.970 53.970 53.554 0.416 19354 13884 1 20 . 1 1 96 96 ASN CB C 96 37.238 37.238 38.110 -0.872 19354 13885 1 20 . 1 1 96 96 ASN H H 96 9.474 9.474 9.304 0.170 19354 13886 1 20 . 1 1 97 97 GLY N N 97 101.656 101.656 102.482 -0.826 19354 13887 1 20 . 1 1 97 97 GLY C C 97 173.651 173.651 173.581 0.070 19354 13888 1 20 . 1 1 97 97 GLY CA C 97 45.167 45.167 44.812 0.355 19354 13889 1 20 . 1 1 97 97 GLY H H 97 8.476 8.476 8.316 0.160 19354 13890 1 20 . 1 1 98 98 GLU N N 98 120.042 120.042 120.408 -0.366 19354 13891 1 20 . 1 1 98 98 GLU HA H 98 4.587 4.587 4.471 0.116 19354 13892 1 20 . 1 1 98 98 GLU C C 98 174.422 174.422 175.018 -0.596 19354 13893 1 20 . 1 1 98 98 GLU CA C 98 54.294 54.294 54.481 -0.187 19354 13894 1 20 . 1 1 98 98 GLU CB C 98 32.934 32.934 31.722 1.212 19354 13895 1 20 . 1 1 98 98 GLU H H 98 7.591 7.591 7.505 0.086 19354 13896 1 20 . 1 1 99 99 ASP N N 99 126.603 126.603 128.071 -1.468 19354 13897 1 20 . 1 1 99 99 ASP HA H 99 4.340 4.340 4.434 -0.094 19354 13898 1 20 . 1 1 99 99 ASP C C 99 176.214 176.214 175.556 0.658 19354 13899 1 20 . 1 1 99 99 ASP CA C 99 55.408 55.408 55.939 -0.531 19354 13900 1 20 . 1 1 99 99 ASP CB C 99 41.629 41.629 40.239 1.390 19354 13901 1 20 . 1 1 99 99 ASP H H 99 8.489 8.489 8.757 -0.268 19354 13902 1 20 . 1 1 100 100 MET N N 100 121.977 121.977 122.249 -0.272 19354 13903 1 20 . 1 1 100 100 MET HA H 100 4.911 4.911 5.293 -0.382 19354 13904 1 20 . 1 1 100 100 MET C C 100 172.900 172.900 174.747 -1.847 19354 13905 1 20 . 1 1 100 100 MET CA C 100 53.649 53.649 53.949 -0.300 19354 13906 1 20 . 1 1 100 100 MET CB C 100 35.529 35.529 36.647 -1.118 19354 13907 1 20 . 1 1 100 100 MET H H 100 8.853 8.853 8.693 0.161 19354 13908 1 20 . 1 1 101 101 VAL N N 101 119.963 119.963 113.777 6.186 19354 13909 1 20 . 1 1 101 101 VAL HA H 101 4.814 4.814 4.420 0.394 19354 13910 1 20 . 1 1 101 101 VAL C C 101 172.991 172.991 173.647 -0.656 19354 13911 1 20 . 1 1 101 101 VAL CA C 101 58.203 58.203 59.165 -0.962 19354 13912 1 20 . 1 1 101 101 VAL CB C 101 34.629 34.629 34.879 -0.250 19354 13913 1 20 . 1 1 101 101 VAL H H 101 8.964 8.964 8.562 0.402 19354 13914 1 20 . 1 1 102 102 TYR N N 102 125.849 125.849 119.108 6.741 19354 13915 1 20 . 1 1 102 102 TYR HA H 102 4.444 4.444 5.130 -0.686 19354 13916 1 20 . 1 1 102 102 TYR C C 102 176.464 176.464 175.813 0.651 19354 13917 1 20 . 1 1 102 102 TYR CA C 102 57.549 57.549 56.898 0.651 19354 13918 1 20 . 1 1 102 102 TYR CB C 102 38.274 38.274 40.823 -2.549 19354 13919 1 20 . 1 1 102 102 TYR H H 102 8.137 8.137 7.654 0.483 19354 13920 1 20 . 1 1 103 103 LEU N N 103 123.151 123.151 124.675 -1.524 19354 13921 1 20 . 1 1 103 103 LEU HA H 103 4.683 4.683 4.772 -0.089 19354 13922 1 20 . 1 1 103 103 LEU CA C 103 52.426 52.426 52.482 -0.056 19354 13923 1 20 . 1 1 103 103 LEU CB C 103 42.038 42.038 43.167 -1.129 19354 13924 1 20 . 1 1 103 103 LEU H H 103 8.308 8.308 8.238 0.070 19354 13925 1 20 . 1 1 104 104 PRO HA H 104 4.678 4.678 4.502 0.176 19354 13926 1 20 . 1 1 104 104 PRO CA C 104 61.704 61.704 62.643 -0.939 19354 13927 1 20 . 1 1 104 104 PRO CB C 104 32.020 32.020 32.083 -0.063 19354 13928 1 20 . 1 1 105 105 SER N N 105 113.955 113.955 117.362 -3.407 19354 13929 1 20 . 1 1 105 105 SER HA H 105 4.632 4.632 4.563 0.069 19354 13930 1 20 . 1 1 105 105 SER C C 105 175.473 175.473 176.538 -1.065 19354 13931 1 20 . 1 1 105 105 SER CA C 105 56.324 56.324 57.669 -1.345 19354 13932 1 20 . 1 1 105 105 SER CB C 105 65.193 65.193 65.090 0.103 19354 13933 1 20 . 1 1 105 105 SER H H 105 7.668 7.668 8.310 -0.642 19354 13934 1 20 . 1 1 106 106 TYR N N 106 122.582 122.582 120.544 2.038 19354 13935 1 20 . 1 1 106 106 TYR HA H 106 3.724 3.724 4.083 -0.359 19354 13936 1 20 . 1 1 106 106 TYR C C 106 178.116 178.116 177.269 0.847 19354 13937 1 20 . 1 1 106 106 TYR CA C 106 62.057 62.057 60.375 1.682 19354 13938 1 20 . 1 1 106 106 TYR CB C 106 37.925 37.925 37.922 0.003 19354 13939 1 20 . 1 1 106 106 TYR H H 106 8.492 8.492 9.123 -0.631 19354 13940 1 20 . 1 1 107 107 GLU N N 107 118.362 118.362 119.797 -1.435 19354 13941 1 20 . 1 1 107 107 GLU HA H 107 3.846 3.846 3.526 0.320 19354 13942 1 20 . 1 1 107 107 GLU C C 107 177.421 177.421 178.304 -0.883 19354 13943 1 20 . 1 1 107 107 GLU CA C 107 58.867 58.867 59.236 -0.369 19354 13944 1 20 . 1 1 107 107 GLU CB C 107 28.969 28.969 28.421 0.548 19354 13945 1 20 . 1 1 107 107 GLU H H 107 8.503 8.503 7.678 0.825 19354 13946 1 20 . 1 1 108 108 MET N N 108 116.221 116.221 117.642 -1.421 19354 13947 1 20 . 1 1 108 108 MET HA H 108 3.708 3.708 3.988 -0.280 19354 13948 1 20 . 1 1 108 108 MET C C 108 176.804 176.804 178.001 -1.197 19354 13949 1 20 . 1 1 108 108 MET CA C 108 58.648 58.648 57.959 0.689 19354 13950 1 20 . 1 1 108 108 MET CB C 108 33.058 33.058 31.352 1.706 19354 13951 1 20 . 1 1 108 108 MET H H 108 7.409 7.409 7.808 -0.399 19354 13952 1 20 . 1 1 109 109 CYS N N 109 114.131 114.131 117.009 -2.878 19354 13953 1 20 . 1 1 109 109 CYS HA H 109 3.857 3.857 3.669 0.188 19354 13954 1 20 . 1 1 109 109 CYS C C 109 178.047 178.047 176.973 1.074 19354 13955 1 20 . 1 1 109 109 CYS CA C 109 58.737 58.737 60.337 -1.600 19354 13956 1 20 . 1 1 109 109 CYS CB C 109 35.006 35.006 26.123 8.883 19354 13957 1 20 . 1 1 109 109 CYS H H 109 6.817 6.817 7.643 -0.826 19354 13958 1 20 . 1 1 110 110 ARG N N 110 124.629 124.629 120.480 4.149 19354 13959 1 20 . 1 1 110 110 ARG HA H 110 3.376 3.376 4.016 -0.640 19354 13960 1 20 . 1 1 110 110 ARG C C 110 179.435 179.435 178.346 1.089 19354 13961 1 20 . 1 1 110 110 ARG CA C 110 59.641 59.641 59.196 0.445 19354 13962 1 20 . 1 1 110 110 ARG CB C 110 29.273 29.273 29.759 -0.486 19354 13963 1 20 . 1 1 110 110 ARG H H 110 8.885 8.885 7.794 1.091 19354 13964 1 20 . 1 1 111 111 ILE N N 111 113.379 113.379 118.225 -4.846 19354 13965 1 20 . 1 1 111 111 ILE HA H 111 3.796 3.796 3.777 0.019 19354 13966 1 20 . 1 1 111 111 ILE C C 111 175.624 175.624 177.153 -1.529 19354 13967 1 20 . 1 1 111 111 ILE CA C 111 63.811 63.811 63.603 0.208 19354 13968 1 20 . 1 1 111 111 ILE CB C 111 38.229 38.229 36.219 2.010 19354 13969 1 20 . 1 1 111 111 ILE H H 111 7.422 7.422 7.896 -0.474 19354 13970 1 20 . 1 1 112 112 THR N N 112 109.403 109.403 109.925 -0.522 19354 13971 1 20 . 1 1 112 112 THR HA H 112 3.889 3.889 4.227 -0.338 19354 13972 1 20 . 1 1 112 112 THR C C 112 175.798 175.798 176.021 -0.223 19354 13973 1 20 . 1 1 112 112 THR CA C 112 62.856 62.856 65.064 -2.208 19354 13974 1 20 . 1 1 112 112 THR CB C 112 70.168 70.168 69.976 0.192 19354 13975 1 20 . 1 1 112 112 THR H H 112 7.574 7.574 7.174 0.400 19354 13976 1 20 . 1 1 113 113 MET N N 113 119.638 119.638 119.749 -0.111 19354 13977 1 20 . 1 1 113 113 MET HA H 113 3.541 3.541 4.403 -0.862 19354 13978 1 20 . 1 1 113 113 MET C C 113 177.174 177.174 177.644 -0.470 19354 13979 1 20 . 1 1 113 113 MET CA C 113 60.235 60.235 58.090 2.145 19354 13980 1 20 . 1 1 113 113 MET CB C 113 32.338 32.338 32.563 -0.225 19354 13981 1 20 . 1 1 113 113 MET H H 113 7.152 7.152 7.202 -0.050 19354 13982 1 20 . 1 1 114 114 GLU N N 114 117.224 117.224 120.792 -3.568 19354 13983 1 20 . 1 1 114 114 GLU HA H 114 4.114 4.114 4.075 0.039 19354 13984 1 20 . 1 1 114 114 GLU CA C 114 60.422 60.422 60.196 0.226 19354 13985 1 20 . 1 1 114 114 GLU CB C 114 26.103 26.103 27.759 -1.656 19354 13986 1 20 . 1 1 114 114 GLU H H 114 8.580 8.580 8.651 -0.071 19354 13987 1 20 . 1 1 115 115 PRO HA H 115 4.304 4.304 4.379 -0.075 19354 13988 1 20 . 1 1 115 115 PRO CA C 115 65.128 65.128 63.452 1.676 19354 13989 1 20 . 1 1 115 115 PRO CB C 115 31.141 31.141 31.941 -0.800 19354 13990 1 20 . 1 1 116 116 CYS N N 116 111.879 111.879 121.175 -9.296 19354 13991 1 20 . 1 1 116 116 CYS HA H 116 4.679 4.679 4.413 0.266 19354 13992 1 20 . 1 1 116 116 CYS C C 116 174.808 174.808 176.817 -2.009 19354 13993 1 20 . 1 1 116 116 CYS CA C 116 54.060 54.060 59.704 -5.644 19354 13994 1 20 . 1 1 116 116 CYS CB C 116 42.879 42.879 25.519 17.360 19354 13995 1 20 . 1 1 116 116 CYS H H 116 7.208 7.208 8.388 -1.180 19354 13996 1 20 . 1 1 117 117 ARG N N 117 123.750 123.750 125.748 -1.998 19354 13997 1 20 . 1 1 117 117 ARG HA H 117 3.161 3.161 4.131 -0.970 19354 13998 1 20 . 1 1 117 117 ARG C C 117 178.210 178.210 177.497 0.713 19354 13999 1 20 . 1 1 117 117 ARG CA C 117 59.743 59.743 58.643 1.100 19354 14000 1 20 . 1 1 117 117 ARG CB C 117 29.486 29.486 30.569 -1.083 19354 14001 1 20 . 1 1 117 117 ARG H H 117 7.436 7.436 8.401 -0.965 19354 14002 1 20 . 1 1 118 118 ILE N N 118 116.384 116.384 118.080 -1.696 19354 14003 1 20 . 1 1 118 118 ILE HA H 118 4.000 4.000 3.648 0.352 19354 14004 1 20 . 1 1 118 118 ILE C C 118 176.577 176.577 175.843 0.734 19354 14005 1 20 . 1 1 118 118 ILE CA C 118 63.166 63.166 62.846 0.320 19354 14006 1 20 . 1 1 118 118 ILE CB C 118 37.781 37.781 36.797 0.984 19354 14007 1 20 . 1 1 118 118 ILE H H 118 8.130 8.130 7.860 0.270 19354 14008 1 20 . 1 1 119 119 LEU N N 119 119.738 119.738 118.698 1.040 19354 14009 1 20 . 1 1 119 119 LEU HA H 119 4.540 4.540 4.154 0.386 19354 14010 1 20 . 1 1 119 119 LEU C C 119 178.346 178.346 177.174 1.172 19354 14011 1 20 . 1 1 119 119 LEU CA C 119 54.697 54.697 52.678 2.019 19354 14012 1 20 . 1 1 119 119 LEU CB C 119 42.872 42.872 39.300 3.572 19354 14013 1 20 . 1 1 119 119 LEU H H 119 7.771 7.771 7.207 0.564 19354 14014 1 20 . 1 1 120 120 TYR N N 120 121.945 121.945 118.758 3.187 19354 14015 1 20 . 1 1 120 120 TYR HA H 120 4.125 4.125 4.051 0.074 19354 14016 1 20 . 1 1 120 120 TYR C C 120 176.169 176.169 176.358 -0.189 19354 14017 1 20 . 1 1 120 120 TYR CA C 120 59.682 59.682 59.624 0.058 19354 14018 1 20 . 1 1 120 120 TYR CB C 120 37.180 37.180 37.594 -0.414 19354 14019 1 20 . 1 1 120 120 TYR H H 120 7.886 7.886 7.196 0.690 19354 14020 1 20 . 1 1 121 121 ASN N N 121 115.992 115.992 110.906 5.086 19354 14021 1 20 . 1 1 121 121 ASN HA H 121 4.885 4.885 4.677 0.208 19354 14022 1 20 . 1 1 121 121 ASN C C 121 175.612 175.612 175.424 0.188 19354 14023 1 20 . 1 1 121 121 ASN CA C 121 52.670 52.670 53.461 -0.791 19354 14024 1 20 . 1 1 121 121 ASN CB C 121 38.058 38.058 38.947 -0.889 19354 14025 1 20 . 1 1 121 121 ASN H H 121 8.228 8.228 8.105 0.123 19354 14026 1 20 . 1 1 122 122 THR N N 122 109.094 109.094 115.427 -6.333 19354 14027 1 20 . 1 1 122 122 THR HA H 122 4.682 4.682 4.329 0.353 19354 14028 1 20 . 1 1 122 122 THR C C 122 175.844 175.844 174.994 0.850 19354 14029 1 20 . 1 1 122 122 THR CA C 122 61.815 61.815 63.131 -1.316 19354 14030 1 20 . 1 1 122 122 THR CB C 122 72.484 72.484 69.799 2.685 19354 14031 1 20 . 1 1 122 122 THR H H 122 7.649 7.649 8.386 -0.737 19354 14032 1 20 . 1 1 123 123 THR N N 123 112.067 112.067 116.849 -4.782 19354 14033 1 20 . 1 1 123 123 THR HA H 123 4.026 4.026 4.699 -0.673 19354 14034 1 20 . 1 1 123 123 THR C C 123 175.033 175.033 174.293 0.740 19354 14035 1 20 . 1 1 123 123 THR CA C 123 63.174 63.174 60.748 2.426 19354 14036 1 20 . 1 1 123 123 THR CB C 123 68.529 68.529 68.646 -0.117 19354 14037 1 20 . 1 1 123 123 THR H H 123 8.261 8.261 8.460 -0.199 19354 14038 1 20 . 1 1 124 124 PHE N N 124 118.139 118.139 122.212 -4.073 19354 14039 1 20 . 1 1 124 124 PHE HA H 124 4.153 4.153 4.402 -0.249 19354 14040 1 20 . 1 1 124 124 PHE C C 124 175.398 175.398 175.103 0.295 19354 14041 1 20 . 1 1 124 124 PHE CA C 124 59.890 59.890 59.552 0.338 19354 14042 1 20 . 1 1 124 124 PHE CB C 124 39.668 39.668 39.490 0.177 19354 14043 1 20 . 1 1 124 124 PHE H H 124 7.764 7.764 8.402 -0.638 19354 14044 1 20 . 1 1 125 125 PHE N N 125 118.447 118.447 118.214 0.233 19354 14045 1 20 . 1 1 125 125 PHE HA H 125 4.662 4.662 4.518 0.144 19354 14046 1 20 . 1 1 125 125 PHE CA C 125 56.245 56.245 55.043 1.202 19354 14047 1 20 . 1 1 125 125 PHE CB C 125 38.810 38.810 38.698 0.112 19354 14048 1 20 . 1 1 125 125 PHE H H 125 7.670 7.670 8.227 -0.557 19354 14049 1 20 . 1 1 126 126 PRO HA H 126 4.398 4.398 4.504 -0.106 19354 14050 1 20 . 1 1 126 126 PRO CA C 126 62.432 62.432 62.586 -0.154 19354 14051 1 20 . 1 1 126 126 PRO CB C 126 32.670 32.670 32.647 0.023 19354 14052 1 20 . 1 1 127 127 LYS N N 127 118.753 118.753 119.727 -0.974 19354 14053 1 20 . 1 1 127 127 LYS HA H 127 3.580 3.580 4.154 -0.574 19354 14054 1 20 . 1 1 127 127 LYS C C 127 177.977 177.977 178.439 -0.462 19354 14055 1 20 . 1 1 127 127 LYS CA C 127 60.279 60.279 57.905 2.374 19354 14056 1 20 . 1 1 127 127 LYS CB C 127 31.599 31.599 31.229 0.370 19354 14057 1 20 . 1 1 127 127 LYS H H 127 8.565 8.565 8.927 -0.362 19354 14058 1 20 . 1 1 128 128 PHE N N 128 110.638 110.638 120.613 -9.975 19354 14059 1 20 . 1 1 128 128 PHE HA H 128 4.481 4.481 4.414 0.067 19354 14060 1 20 . 1 1 128 128 PHE C C 128 173.946 173.946 176.165 -2.219 19354 14061 1 20 . 1 1 128 128 PHE CA C 128 57.841 57.841 60.061 -2.220 19354 14062 1 20 . 1 1 128 128 PHE CB C 128 36.807 36.807 38.832 -2.025 19354 14063 1 20 . 1 1 128 128 PHE H H 128 6.795 6.795 8.115 -1.320 19354 14064 1 20 . 1 1 129 129 LEU N N 129 119.653 119.653 120.141 -0.488 19354 14065 1 20 . 1 1 129 129 LEU HA H 129 4.710 4.710 3.577 1.133 19354 14066 1 20 . 1 1 129 129 LEU C C 129 175.398 175.398 177.270 -1.872 19354 14067 1 20 . 1 1 129 129 LEU CA C 129 53.169 53.169 55.897 -2.728 19354 14068 1 20 . 1 1 129 129 LEU CB C 129 44.901 44.901 42.331 2.570 19354 14069 1 20 . 1 1 129 129 LEU H H 129 7.204 7.204 7.534 -0.330 19354 14070 1 20 . 1 1 130 130 ARG N N 130 116.807 116.807 115.829 0.978 19354 14071 1 20 . 1 1 130 130 ARG HA H 130 4.328 4.328 4.035 0.293 19354 14072 1 20 . 1 1 130 130 ARG C C 130 177.099 177.099 174.885 2.214 19354 14073 1 20 . 1 1 130 130 ARG CA C 130 55.250 55.250 56.636 -1.386 19354 14074 1 20 . 1 1 130 130 ARG CB C 130 30.355 30.355 28.262 2.093 19354 14075 1 20 . 1 1 130 130 ARG H H 130 7.090 7.090 8.432 -1.342 19354 14076 1 20 . 1 1 131 131 CYS N N 131 117.271 117.271 116.883 0.388 19354 14077 1 20 . 1 1 131 131 CYS HA H 131 4.588 4.588 4.644 -0.056 19354 14078 1 20 . 1 1 131 131 CYS C C 131 175.022 175.022 173.241 1.781 19354 14079 1 20 . 1 1 131 131 CYS CA C 131 54.449 54.449 57.365 -2.917 19354 14080 1 20 . 1 1 131 131 CYS CB C 131 34.958 34.958 30.014 4.944 19354 14081 1 20 . 1 1 131 131 CYS H H 131 8.210 8.210 8.062 0.148 19354 14082 1 20 . 1 1 132 132 ASN N N 132 120.232 120.232 125.297 -5.065 19354 14083 1 20 . 1 1 132 132 ASN HA H 132 4.811 4.811 4.851 -0.040 19354 14084 1 20 . 1 1 132 132 ASN C C 132 175.080 175.080 174.401 0.679 19354 14085 1 20 . 1 1 132 132 ASN CA C 132 53.188 53.188 52.728 0.460 19354 14086 1 20 . 1 1 132 132 ASN CB C 132 40.003 40.003 39.381 0.622 19354 14087 1 20 . 1 1 132 132 ASN H H 132 7.801 7.801 8.503 -0.702 19354 14088 1 20 . 1 1 133 133 GLU N N 133 123.435 123.435 120.354 3.081 19354 14089 1 20 . 1 1 133 133 GLU HA H 133 4.225 4.225 4.364 -0.139 19354 14090 1 20 . 1 1 133 133 GLU C C 133 176.447 176.447 176.671 -0.224 19354 14091 1 20 . 1 1 133 133 GLU CA C 133 57.928 57.928 57.129 0.799 19354 14092 1 20 . 1 1 133 133 GLU CB C 133 29.822 29.822 30.187 -0.365 19354 14093 1 20 . 1 1 133 133 GLU H H 133 9.086 9.086 8.699 0.387 19354 14094 1 20 . 1 1 134 134 THR N N 134 113.403 113.403 113.138 0.265 19354 14095 1 20 . 1 1 134 134 THR HA H 134 3.964 3.964 4.377 -0.413 19354 14096 1 20 . 1 1 134 134 THR C C 134 174.853 174.853 175.463 -0.610 19354 14097 1 20 . 1 1 134 134 THR CA C 134 63.694 63.694 62.161 1.532 19354 14098 1 20 . 1 1 134 134 THR CB C 134 68.841 68.841 68.841 -0.000 19354 14099 1 20 . 1 1 134 134 THR H H 134 8.067 8.067 8.129 -0.062 19354 14100 1 20 . 1 1 135 135 LEU N N 135 121.377 121.377 121.560 -0.183 19354 14101 1 20 . 1 1 135 135 LEU HA H 135 3.964 3.964 4.231 -0.267 19354 14102 1 20 . 1 1 135 135 LEU C C 135 176.215 176.215 177.013 -0.798 19354 14103 1 20 . 1 1 135 135 LEU CA C 135 55.656 55.656 56.142 -0.486 19354 14104 1 20 . 1 1 135 135 LEU CB C 135 42.291 42.291 42.415 -0.124 19354 14105 1 20 . 1 1 135 135 LEU H H 135 7.448 7.448 7.722 -0.274 19354 14106 1 20 . 1 1 136 136 PHE N N 136 117.704 117.704 115.485 2.219 19354 14107 1 20 . 1 1 136 136 PHE HA H 136 5.202 5.202 4.849 0.352 19354 14108 1 20 . 1 1 136 136 PHE C C 136 179.412 179.412 173.583 5.829 19354 14109 1 20 . 1 1 136 136 PHE CA C 136 53.495 53.495 56.000 -2.505 19354 14110 1 20 . 1 1 136 136 PHE CB C 136 39.248 39.248 39.104 0.144 19354 14111 1 20 . 1 1 136 136 PHE H H 136 7.542 7.542 7.812 -0.270 19354 14112 1 20 . 1 1 137 137 PRO HA H 137 4.528 4.528 4.360 0.168 19354 14113 1 20 . 1 1 137 137 PRO CA C 137 62.949 62.949 64.639 -1.690 19354 14114 1 20 . 1 1 137 137 PRO CB C 137 32.242 32.242 32.433 -0.191 19354 14115 1 20 . 1 1 138 138 THR N N 138 114.025 114.025 112.218 1.807 19354 14116 1 20 . 1 1 138 138 THR HA H 138 4.324 4.324 4.179 0.145 19354 14117 1 20 . 1 1 138 138 THR C C 138 174.175 174.175 174.779 -0.604 19354 14118 1 20 . 1 1 138 138 THR CA C 138 61.863 61.863 63.103 -1.240 19354 14119 1 20 . 1 1 138 138 THR CB C 138 69.742 69.742 69.151 0.591 19354 14120 1 20 . 1 1 138 138 THR H H 138 8.452 8.452 8.542 -0.090 19354 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 114 3.344 1.088 3.176 19354 2 1 1 "Average Difference" HA 130 0.366 0.052 0.364 19354 3 1 1 "Average Difference" C 108 1.614 -0.176 1.612 19354 4 1 1 "Average Difference" CA 126 1.562 0.315 1.536 19354 5 1 1 "Average Difference" CB 122 3.423 -0.873 3.324 19354 6 1 1 "Average Difference" HN 114 0.579 -0.021 0.581 19354 7 1 2 "Average Difference" N 114 3.506 0.865 3.413 19354 8 1 2 "Average Difference" HA 130 0.363 0.083 0.354 19354 9 1 2 "Average Difference" C 108 1.530 -0.260 1.515 19354 10 1 2 "Average Difference" CA 126 1.494 0.318 1.465 19354 11 1 2 "Average Difference" CB 122 3.454 -0.819 3.369 19354 12 1 2 "Average Difference" HN 114 0.563 0.002 0.566 19354 13 1 3 "Average Difference" N 114 3.227 0.732 3.157 19354 14 1 3 "Average Difference" HA 130 0.378 0.081 0.370 19354 15 1 3 "Average Difference" C 108 1.605 -0.266 1.591 19354 16 1 3 "Average Difference" CA 126 1.522 0.273 1.504 19354 17 1 3 "Average Difference" CB 122 3.393 -0.777 3.316 19354 18 1 3 "Average Difference" HN 114 0.566 0.003 0.569 19354 19 1 4 "Average Difference" N 114 3.574 0.985 3.451 19354 20 1 4 "Average Difference" HA 130 0.344 0.061 0.340 19354 21 1 4 "Average Difference" C 108 1.594 -0.237 1.584 19354 22 1 4 "Average Difference" CA 126 1.502 0.305 1.477 19354 23 1 4 "Average Difference" CB 122 3.486 -0.913 3.379 19354 24 1 4 "Average Difference" HN 114 0.564 -0.001 0.566 19354 25 1 5 "Average Difference" N 114 3.264 0.783 3.183 19354 26 1 5 "Average Difference" HA 130 0.339 0.079 0.331 19354 27 1 5 "Average Difference" C 108 1.488 -0.261 1.472 19354 28 1 5 "Average Difference" CA 126 1.485 0.187 1.479 19354 29 1 5 "Average Difference" CB 122 3.309 -0.871 3.206 19354 30 1 5 "Average Difference" HN 114 0.568 0.004 0.570 19354 31 1 6 "Average Difference" N 114 3.408 1.097 3.240 19354 32 1 6 "Average Difference" HA 130 0.348 0.063 0.343 19354 33 1 6 "Average Difference" C 108 1.543 -0.279 1.524 19354 34 1 6 "Average Difference" CA 126 1.479 0.269 1.461 19354 35 1 6 "Average Difference" CB 122 3.501 -0.824 3.416 19354 36 1 6 "Average Difference" HN 114 0.590 -0.003 0.593 19354 37 1 7 "Average Difference" N 114 3.142 0.855 3.037 19354 38 1 7 "Average Difference" HA 130 0.373 0.058 0.370 19354 39 1 7 "Average Difference" C 108 1.546 -0.228 1.537 19354 40 1 7 "Average Difference" CA 126 1.662 0.312 1.639 19354 41 1 7 "Average Difference" CB 122 3.507 -0.880 3.409 19354 42 1 7 "Average Difference" HN 114 0.563 0.005 0.565 19354 43 1 8 "Average Difference" N 114 3.419 1.189 3.220 19354 44 1 8 "Average Difference" HA 130 0.358 0.070 0.352 19354 45 1 8 "Average Difference" C 108 1.535 -0.275 1.517 19354 46 1 8 "Average Difference" CA 126 1.560 0.293 1.539 19354 47 1 8 "Average Difference" CB 122 3.417 -0.843 3.325 19354 48 1 8 "Average Difference" HN 114 0.572 0.028 0.574 19354 49 1 9 "Average Difference" N 114 3.344 0.858 3.247 19354 50 1 9 "Average Difference" HA 130 0.349 0.048 0.347 19354 51 1 9 "Average Difference" C 108 1.555 -0.199 1.549 19354 52 1 9 "Average Difference" CA 126 1.609 0.372 1.572 19354 53 1 9 "Average Difference" CB 122 3.480 -0.895 3.377 19354 54 1 9 "Average Difference" HN 114 0.579 0.012 0.582 19354 55 1 10 "Average Difference" N 114 3.337 1.025 3.189 19354 56 1 10 "Average Difference" HA 130 0.346 0.060 0.342 19354 57 1 10 "Average Difference" C 108 1.544 -0.261 1.528 19354 58 1 10 "Average Difference" CA 126 1.539 0.327 1.510 19354 59 1 10 "Average Difference" CB 122 3.473 -0.835 3.385 19354 60 1 10 "Average Difference" HN 114 0.562 0.000 0.565 19354 61 1 11 "Average Difference" N 114 3.305 0.857 3.206 19354 62 1 11 "Average Difference" HA 130 0.379 0.052 0.377 19354 63 1 11 "Average Difference" C 108 1.569 -0.217 1.562 19354 64 1 11 "Average Difference" CA 126 1.533 0.317 1.506 19354 65 1 11 "Average Difference" CB 122 3.488 -0.951 3.370 19354 66 1 11 "Average Difference" HN 114 0.526 0.024 0.528 19354 67 1 12 "Average Difference" N 114 3.195 0.793 3.109 19354 68 1 12 "Average Difference" HA 130 0.369 0.063 0.365 19354 69 1 12 "Average Difference" C 108 1.570 -0.257 1.556 19354 70 1 12 "Average Difference" CA 126 1.493 0.269 1.474 19354 71 1 12 "Average Difference" CB 122 3.433 -0.775 3.358 19354 72 1 12 "Average Difference" HN 114 0.581 0.017 0.584 19354 73 1 13 "Average Difference" N 114 3.254 0.812 3.165 19354 74 1 13 "Average Difference" HA 130 0.390 0.048 0.389 19354 75 1 13 "Average Difference" C 108 1.589 -0.208 1.582 19354 76 1 13 "Average Difference" CA 126 1.603 0.266 1.587 19354 77 1 13 "Average Difference" CB 122 3.479 -0.953 3.360 19354 78 1 13 "Average Difference" HN 114 0.578 -0.032 0.579 19354 79 1 14 "Average Difference" N 114 3.133 0.808 3.041 19354 80 1 14 "Average Difference" HA 130 0.353 0.067 0.348 19354 81 1 14 "Average Difference" C 108 1.523 -0.224 1.513 19354 82 1 14 "Average Difference" CA 126 1.519 0.329 1.489 19354 83 1 14 "Average Difference" CB 122 3.457 -0.911 3.349 19354 84 1 14 "Average Difference" HN 114 0.529 0.014 0.532 19354 85 1 15 "Average Difference" N 114 2.990 0.833 2.884 19354 86 1 15 "Average Difference" HA 130 0.377 0.093 0.367 19354 87 1 15 "Average Difference" C 108 1.585 -0.292 1.565 19354 88 1 15 "Average Difference" CA 126 1.640 0.219 1.632 19354 89 1 15 "Average Difference" CB 122 3.296 -0.784 3.214 19354 90 1 15 "Average Difference" HN 114 0.553 0.020 0.555 19354 91 1 16 "Average Difference" N 114 3.469 1.010 3.333 19354 92 1 16 "Average Difference" HA 130 0.361 0.051 0.359 19354 93 1 16 "Average Difference" C 108 1.597 -0.212 1.590 19354 94 1 16 "Average Difference" CA 126 1.538 0.312 1.512 19354 95 1 16 "Average Difference" CB 122 3.429 -0.864 3.332 19354 96 1 16 "Average Difference" HN 114 0.584 0.003 0.587 19354 97 1 17 "Average Difference" N 114 3.480 0.879 3.382 19354 98 1 17 "Average Difference" HA 130 0.370 0.058 0.367 19354 99 1 17 "Average Difference" C 108 1.580 -0.315 1.555 19354 100 1 17 "Average Difference" CA 126 1.531 0.232 1.520 19354 101 1 17 "Average Difference" CB 122 3.552 -0.863 3.459 19354 102 1 17 "Average Difference" HN 114 0.546 -0.015 0.549 19354 103 1 18 "Average Difference" N 114 3.148 1.041 2.984 19354 104 1 18 "Average Difference" HA 130 0.346 0.059 0.342 19354 105 1 18 "Average Difference" C 108 1.563 -0.217 1.555 19354 106 1 18 "Average Difference" CA 126 1.448 0.272 1.428 19354 107 1 18 "Average Difference" CB 122 3.413 -0.853 3.318 19354 108 1 18 "Average Difference" HN 114 0.553 -0.001 0.555 19354 109 1 19 "Average Difference" N 114 3.346 0.939 3.225 19354 110 1 19 "Average Difference" HA 130 0.351 0.066 0.346 19354 111 1 19 "Average Difference" C 108 1.557 -0.203 1.551 19354 112 1 19 "Average Difference" CA 126 1.552 0.335 1.522 19354 113 1 19 "Average Difference" CB 122 3.492 -0.915 3.384 19354 114 1 19 "Average Difference" HN 114 0.527 0.011 0.529 19354 115 1 20 "Average Difference" N 114 3.335 0.830 3.245 19354 116 1 20 "Average Difference" HA 130 0.368 0.047 0.366 19354 117 1 20 "Average Difference" C 108 1.618 -0.124 1.620 19354 118 1 20 "Average Difference" CA 126 1.657 0.333 1.629 19354 119 1 20 "Average Difference" CB 122 3.346 -0.867 3.245 19354 120 1 20 "Average Difference" HN 114 0.565 0.037 0.566 19354 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 19354 _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 13 13 GLY N N 13 110.400 110.400 110.570 -0.170 19354 2 1 . 1 1 13 13 GLY C C 13 173.560 173.560 172.368 1.192 19354 3 1 . 1 1 13 13 GLY CA C 13 45.111 45.111 45.246 -0.135 19354 4 1 . 1 1 13 13 GLY H H 13 8.335 8.335 8.194 0.141 19354 5 1 . 1 1 14 14 LEU N N 14 121.222 121.222 122.177 -0.955 19354 6 1 . 1 1 14 14 LEU HA H 14 4.378 4.378 4.587 -0.208 19354 7 1 . 1 1 14 14 LEU C C 14 177.119 177.119 175.637 1.482 19354 8 1 . 1 1 14 14 LEU CA C 14 54.838 54.838 54.506 0.332 19354 9 1 . 1 1 14 14 LEU CB C 14 42.429 42.429 44.347 -1.918 19354 10 1 . 1 1 14 14 LEU H H 14 7.915 7.915 7.965 -0.050 19354 11 1 . 1 1 15 15 VAL N N 15 123.222 123.222 122.559 0.663 19354 12 1 . 1 1 15 15 VAL HA H 15 4.335 4.335 4.331 0.004 19354 13 1 . 1 1 15 15 VAL C C 15 175.602 175.602 174.738 0.864 19354 14 1 . 1 1 15 15 VAL CA C 15 59.375 59.375 59.424 -0.049 19354 15 1 . 1 1 15 15 VAL CB C 15 33.197 33.197 33.517 -0.320 19354 16 1 . 1 1 15 15 VAL H H 15 8.297 8.297 8.344 -0.047 19354 17 1 . 1 1 16 16 PRO HA H 16 4.379 4.379 4.495 -0.116 19354 18 1 . 1 1 16 16 PRO CA C 16 62.925 62.925 63.626 -0.701 19354 19 1 . 1 1 16 16 PRO CB C 16 32.043 32.043 31.256 0.787 19354 20 1 . 1 1 17 17 ARG N N 17 122.742 122.742 120.334 2.409 19354 21 1 . 1 1 17 17 ARG HA H 17 4.219 4.219 4.372 -0.153 19354 22 1 . 1 1 17 17 ARG C C 17 176.586 176.586 176.710 -0.124 19354 23 1 . 1 1 17 17 ARG CA C 17 55.479 55.479 56.037 -0.558 19354 24 1 . 1 1 17 17 ARG CB C 17 30.889 30.889 31.214 -0.325 19354 25 1 . 1 1 17 17 ARG H H 17 8.469 8.469 8.228 0.241 19354 26 1 . 1 1 18 18 GLY N N 18 111.993 111.993 108.159 3.834 19354 27 1 . 1 1 18 18 GLY C C 18 174.453 174.453 174.123 0.330 19354 28 1 . 1 1 18 18 GLY CA C 18 45.670 45.670 45.255 0.415 19354 29 1 . 1 1 18 18 GLY H H 18 8.538 8.538 8.373 0.165 19354 30 1 . 1 1 19 19 SER HA H 19 4.318 4.318 4.334 -0.016 19354 31 1 . 1 1 19 19 SER CA C 19 58.480 58.480 58.446 0.034 19354 32 1 . 1 1 19 19 SER CB C 19 63.535 63.535 64.092 -0.557 19354 33 1 . 1 1 20 20 HIS N N 20 120.039 120.039 120.168 -0.129 19354 34 1 . 1 1 20 20 HIS HA H 20 4.678 4.678 4.606 0.072 19354 35 1 . 1 1 20 20 HIS C C 20 174.263 174.263 174.732 -0.469 19354 36 1 . 1 1 20 20 HIS CA C 20 55.889 55.889 56.410 -0.521 19354 37 1 . 1 1 20 20 HIS CB C 20 32.027 32.027 28.695 3.332 19354 38 1 . 1 1 20 20 HIS H H 20 8.344 8.344 8.481 -0.137 19354 39 1 . 1 1 21 21 MET N N 21 120.453 120.453 118.361 2.092 19354 40 1 . 1 1 21 21 MET HA H 21 4.676 4.676 4.510 0.166 19354 41 1 . 1 1 21 21 MET C C 21 174.808 174.808 174.640 0.168 19354 42 1 . 1 1 21 21 MET CA C 21 54.232 54.232 56.480 -2.248 19354 43 1 . 1 1 21 21 MET CB C 21 32.377 32.377 33.971 -1.593 19354 44 1 . 1 1 21 21 MET H H 21 8.587 8.587 8.135 0.452 19354 45 1 . 1 1 22 22 VAL N N 22 112.794 112.794 116.713 -3.919 19354 46 1 . 1 1 22 22 VAL HA H 22 5.297 5.297 4.968 0.329 19354 47 1 . 1 1 22 22 VAL C C 22 175.218 175.218 174.337 0.881 19354 48 1 . 1 1 22 22 VAL CA C 22 57.885 57.885 59.842 -1.957 19354 49 1 . 1 1 22 22 VAL CB C 22 35.895 35.895 35.470 0.425 19354 50 1 . 1 1 22 22 VAL H H 22 7.805 7.805 7.685 0.120 19354 51 1 . 1 1 23 23 ARG N N 23 117.854 117.854 120.802 -2.948 19354 52 1 . 1 1 23 23 ARG HA H 23 4.578 4.578 4.695 -0.117 19354 53 1 . 1 1 23 23 ARG C C 23 174.128 174.128 174.656 -0.528 19354 54 1 . 1 1 23 23 ARG CA C 23 54.192 54.192 54.695 -0.503 19354 55 1 . 1 1 23 23 ARG CB C 23 34.757 34.757 33.456 1.301 19354 56 1 . 1 1 23 23 ARG H H 23 8.430 8.430 7.914 0.516 19354 57 1 . 1 1 24 24 ARG N N 24 124.928 124.928 123.792 1.136 19354 58 1 . 1 1 24 24 ARG HA H 24 4.619 4.619 4.461 0.158 19354 59 1 . 1 1 24 24 ARG C C 24 176.265 176.265 175.471 0.794 19354 60 1 . 1 1 24 24 ARG CA C 24 57.824 57.824 56.260 1.564 19354 61 1 . 1 1 24 24 ARG CB C 24 29.913 29.913 28.089 1.824 19354 62 1 . 1 1 24 24 ARG H H 24 8.569 8.569 8.618 -0.049 19354 63 1 . 1 1 25 25 ALA N N 25 127.390 127.390 124.916 2.474 19354 64 1 . 1 1 25 25 ALA HA H 25 4.379 4.379 4.520 -0.141 19354 65 1 . 1 1 25 25 ALA C C 25 174.173 174.173 176.662 -2.489 19354 66 1 . 1 1 25 25 ALA CA C 25 51.382 51.382 50.873 0.509 19354 67 1 . 1 1 25 25 ALA CB C 25 23.050 23.050 20.906 2.144 19354 68 1 . 1 1 25 25 ALA H H 25 8.082 8.082 7.997 0.085 19354 69 1 . 1 1 26 26 ARG N N 26 116.820 116.820 119.008 -2.188 19354 70 1 . 1 1 26 26 ARG HA H 26 4.692 4.692 4.380 0.312 19354 71 1 . 1 1 26 26 ARG C C 26 177.847 177.847 175.047 2.800 19354 72 1 . 1 1 26 26 ARG CA C 26 55.271 55.271 56.342 -1.071 19354 73 1 . 1 1 26 26 ARG CB C 26 31.215 31.215 31.642 -0.427 19354 74 1 . 1 1 26 26 ARG H H 26 8.133 8.133 8.461 -0.328 19354 75 1 . 1 1 27 27 CYS N N 27 126.567 126.567 119.581 6.986 19354 76 1 . 1 1 27 27 CYS HA H 27 5.732 5.732 5.069 0.663 19354 77 1 . 1 1 27 27 CYS C C 27 175.288 175.288 173.550 1.738 19354 78 1 . 1 1 27 27 CYS CA C 27 51.785 51.785 57.674 -5.889 19354 79 1 . 1 1 27 27 CYS CB C 27 38.246 38.246 29.521 8.725 19354 80 1 . 1 1 27 27 CYS H H 27 9.709 9.709 8.359 1.350 19354 81 1 . 1 1 28 28 TYR N N 28 120.309 120.309 122.430 -2.121 19354 82 1 . 1 1 28 28 TYR HA H 28 5.079 5.079 5.129 -0.050 19354 83 1 . 1 1 28 28 TYR CA C 28 54.951 54.951 54.231 0.720 19354 84 1 . 1 1 28 28 TYR CB C 28 39.807 39.807 38.868 0.939 19354 85 1 . 1 1 28 28 TYR H H 28 8.870 8.870 8.935 -0.065 19354 86 1 . 1 1 29 29 PRO HA H 29 4.836 4.836 4.831 0.005 19354 87 1 . 1 1 29 29 PRO CA C 29 61.773 61.773 62.741 -0.968 19354 88 1 . 1 1 29 29 PRO CB C 29 31.173 31.173 32.133 -0.960 19354 89 1 . 1 1 30 30 THR N N 30 115.177 115.177 119.751 -4.574 19354 90 1 . 1 1 30 30 THR HA H 30 4.253 4.253 4.337 -0.084 19354 91 1 . 1 1 30 30 THR C C 30 173.688 173.688 175.372 -1.684 19354 92 1 . 1 1 30 30 THR CA C 30 61.324 61.324 64.262 -2.938 19354 93 1 . 1 1 30 30 THR CB C 30 70.191 70.191 69.250 0.941 19354 94 1 . 1 1 30 30 THR H H 30 7.978 7.978 8.741 -0.763 19354 95 1 . 1 1 31 31 SER N N 31 116.822 116.822 114.695 2.127 19354 96 1 . 1 1 31 31 SER HA H 31 4.702 4.702 4.665 0.036 19354 97 1 . 1 1 31 31 SER C C 31 175.079 175.079 174.802 0.277 19354 98 1 . 1 1 31 31 SER CA C 31 57.057 57.057 56.906 0.151 19354 99 1 . 1 1 31 31 SER CB C 31 66.020 66.020 64.930 1.091 19354 100 1 . 1 1 31 31 SER H H 31 8.451 8.451 8.137 0.314 19354 101 1 . 1 1 32 32 ASN N N 32 118.803 118.803 119.978 -1.175 19354 102 1 . 1 1 32 32 ASN HA H 32 4.385 4.385 4.579 -0.194 19354 103 1 . 1 1 32 32 ASN C C 32 175.705 175.705 175.872 -0.167 19354 104 1 . 1 1 32 32 ASN CA C 32 55.564 55.564 55.638 -0.074 19354 105 1 . 1 1 32 32 ASN CB C 32 37.637 37.637 38.709 -1.072 19354 106 1 . 1 1 32 32 ASN H H 32 8.802 8.802 8.753 0.049 19354 107 1 . 1 1 33 33 ALA N N 33 118.571 118.571 120.945 -2.374 19354 108 1 . 1 1 33 33 ALA HA H 33 4.262 4.262 4.382 -0.120 19354 109 1 . 1 1 33 33 ALA C C 33 179.229 179.229 177.122 2.107 19354 110 1 . 1 1 33 33 ALA CA C 33 53.087 53.087 53.310 -0.223 19354 111 1 . 1 1 33 33 ALA CB C 33 19.563 19.563 19.635 -0.072 19354 112 1 . 1 1 33 33 ALA H H 33 8.004 8.004 8.002 0.002 19354 113 1 . 1 1 34 34 THR N N 34 106.312 106.312 110.632 -4.320 19354 114 1 . 1 1 34 34 THR HA H 34 4.581 4.581 4.293 0.288 19354 115 1 . 1 1 34 34 THR C C 34 175.334 175.334 172.860 2.474 19354 116 1 . 1 1 34 34 THR CA C 34 60.586 60.586 61.651 -1.065 19354 117 1 . 1 1 34 34 THR CB C 34 70.195 70.195 69.750 0.445 19354 118 1 . 1 1 34 34 THR H H 34 7.551 7.551 7.543 0.008 19354 119 1 . 1 1 35 35 ASN N N 35 122.599 122.599 123.303 -0.704 19354 120 1 . 1 1 35 35 ASN HA H 35 4.528 4.528 4.668 -0.140 19354 121 1 . 1 1 35 35 ASN C C 35 174.221 174.221 174.399 -0.178 19354 122 1 . 1 1 35 35 ASN CA C 35 52.790 52.790 53.730 -0.940 19354 123 1 . 1 1 35 35 ASN CB C 35 36.768 36.768 39.727 -2.959 19354 124 1 . 1 1 35 35 ASN H H 35 7.897 7.897 8.509 -0.612 19354 125 1 . 1 1 36 36 THR N N 36 107.151 107.151 116.075 -8.924 19354 126 1 . 1 1 36 36 THR HA H 36 4.979 4.979 4.480 0.499 19354 127 1 . 1 1 36 36 THR C C 36 173.651 173.651 172.589 1.062 19354 128 1 . 1 1 36 36 THR CA C 36 59.011 59.011 61.573 -2.562 19354 129 1 . 1 1 36 36 THR CB C 36 72.745 72.745 71.341 1.404 19354 130 1 . 1 1 36 36 THR H H 36 7.490 7.490 8.289 -0.799 19354 131 1 . 1 1 37 37 CYS N N 37 118.809 118.809 124.351 -5.542 19354 132 1 . 1 1 37 37 CYS HA H 37 4.095 4.095 4.797 -0.702 19354 133 1 . 1 1 37 37 CYS C C 37 173.688 173.688 173.707 -0.019 19354 134 1 . 1 1 37 37 CYS CA C 37 55.634 55.634 58.574 -2.940 19354 135 1 . 1 1 37 37 CYS CB C 37 45.854 45.854 28.278 17.575 19354 136 1 . 1 1 37 37 CYS H H 37 8.632 8.632 8.414 0.218 19354 137 1 . 1 1 38 38 PHE N N 38 128.190 128.190 125.272 2.918 19354 138 1 . 1 1 38 38 PHE HA H 38 4.275 4.275 4.224 0.051 19354 139 1 . 1 1 38 38 PHE C C 38 176.261 176.261 176.437 -0.176 19354 140 1 . 1 1 38 38 PHE CA C 38 59.067 59.067 58.122 0.945 19354 141 1 . 1 1 38 38 PHE CB C 38 36.576 36.576 37.489 -0.913 19354 142 1 . 1 1 38 38 PHE H H 38 9.018 9.018 9.219 -0.202 19354 143 1 . 1 1 39 39 GLY N N 39 104.504 104.504 106.515 -2.011 19354 144 1 . 1 1 39 39 GLY C C 39 174.173 174.173 174.404 -0.231 19354 145 1 . 1 1 39 39 GLY CA C 39 45.112 45.112 45.313 -0.202 19354 146 1 . 1 1 39 39 GLY H H 39 8.566 8.566 8.513 0.053 19354 147 1 . 1 1 40 40 SER N N 40 116.201 116.201 119.839 -3.638 19354 148 1 . 1 1 40 40 SER HA H 40 4.529 4.529 4.440 0.089 19354 149 1 . 1 1 40 40 SER C C 40 173.873 173.873 174.143 -0.270 19354 150 1 . 1 1 40 40 SER CA C 40 57.436 57.436 58.330 -0.894 19354 151 1 . 1 1 40 40 SER CB C 40 63.718 63.718 63.761 -0.044 19354 152 1 . 1 1 40 40 SER H H 40 7.533 7.533 7.987 -0.454 19354 153 1 . 1 1 41 41 LYS N N 41 127.456 127.456 126.951 0.505 19354 154 1 . 1 1 41 41 LYS HA H 41 4.056 4.056 4.128 -0.073 19354 155 1 . 1 1 41 41 LYS C C 41 176.632 176.632 176.205 0.427 19354 156 1 . 1 1 41 41 LYS CA C 41 56.409 56.409 56.716 -0.307 19354 157 1 . 1 1 41 41 LYS CB C 41 32.169 32.169 32.736 -0.567 19354 158 1 . 1 1 41 41 LYS H H 41 8.768 8.768 8.424 0.344 19354 159 1 . 1 1 42 42 LEU N N 42 128.016 128.016 125.154 2.862 19354 160 1 . 1 1 42 42 LEU HA H 42 4.120 4.120 4.286 -0.166 19354 161 1 . 1 1 42 42 LEU CA C 42 52.010 52.010 51.635 0.375 19354 162 1 . 1 1 42 42 LEU CB C 42 40.680 40.680 40.314 0.366 19354 163 1 . 1 1 42 42 LEU H H 42 8.304 8.304 8.206 0.098 19354 164 1 . 1 1 43 43 PRO HA H 43 4.453 4.453 4.223 0.230 19354 165 1 . 1 1 43 43 PRO CA C 43 62.807 62.807 63.914 -1.107 19354 166 1 . 1 1 43 43 PRO CB C 43 29.625 29.625 31.708 -2.083 19354 167 1 . 1 1 44 44 TYR N N 44 116.871 116.871 114.365 2.506 19354 168 1 . 1 1 44 44 TYR HA H 44 4.689 4.689 4.847 -0.158 19354 169 1 . 1 1 44 44 TYR C C 44 175.239 175.239 175.057 0.182 19354 170 1 . 1 1 44 44 TYR CA C 44 53.718 53.718 54.861 -1.143 19354 171 1 . 1 1 44 44 TYR CB C 44 38.637 38.637 40.125 -1.489 19354 172 1 . 1 1 44 44 TYR H H 44 6.311 6.311 6.645 -0.334 19354 173 1 . 1 1 45 45 GLU N N 45 118.221 118.221 119.360 -1.139 19354 174 1 . 1 1 45 45 GLU HA H 45 4.138 4.138 4.552 -0.414 19354 175 1 . 1 1 45 45 GLU C C 45 176.282 176.282 174.947 1.336 19354 176 1 . 1 1 45 45 GLU CA C 45 57.502 57.502 56.022 1.480 19354 177 1 . 1 1 45 45 GLU CB C 45 31.105 31.105 30.574 0.531 19354 178 1 . 1 1 45 45 GLU H H 45 8.591 8.591 8.824 -0.233 19354 179 1 . 1 1 46 46 LEU N N 46 119.826 119.826 119.349 0.477 19354 180 1 . 1 1 46 46 LEU HA H 46 4.974 4.974 5.310 -0.336 19354 181 1 . 1 1 46 46 LEU C C 46 175.420 175.420 176.000 -0.580 19354 182 1 . 1 1 46 46 LEU CA C 46 53.202 53.202 53.331 -0.129 19354 183 1 . 1 1 46 46 LEU CB C 46 43.587 43.587 45.501 -1.914 19354 184 1 . 1 1 46 46 LEU H H 46 8.176 8.176 7.635 0.541 19354 185 1 . 1 1 47 47 SER N N 47 111.561 111.561 112.927 -1.366 19354 186 1 . 1 1 47 47 SER HA H 47 5.020 5.020 4.531 0.489 19354 187 1 . 1 1 47 47 SER C C 47 173.833 173.833 172.165 1.668 19354 188 1 . 1 1 47 47 SER CA C 47 53.006 53.006 56.866 -3.860 19354 189 1 . 1 1 47 47 SER CB C 47 64.691 64.691 65.088 -0.397 19354 190 1 . 1 1 47 47 SER H H 47 7.924 7.924 8.399 -0.475 19354 191 1 . 1 1 48 48 SER N N 48 111.459 111.459 120.203 -8.744 19354 192 1 . 1 1 48 48 SER HA H 48 4.841 4.841 4.831 0.010 19354 193 1 . 1 1 48 48 SER C C 48 175.602 175.602 174.970 0.632 19354 194 1 . 1 1 48 48 SER CA C 48 57.388 57.388 56.235 1.153 19354 195 1 . 1 1 48 48 SER CB C 48 66.333 66.333 63.670 2.663 19354 196 1 . 1 1 48 48 SER H H 48 8.628 8.628 8.655 -0.027 19354 197 1 . 1 1 49 49 LEU N N 49 128.995 128.995 130.417 -1.423 19354 198 1 . 1 1 49 49 LEU HA H 49 4.383 4.383 4.392 -0.009 19354 199 1 . 1 1 49 49 LEU C C 49 179.571 179.571 178.267 1.304 19354 200 1 . 1 1 49 49 LEU CA C 49 56.032 56.032 57.129 -1.097 19354 201 1 . 1 1 49 49 LEU CB C 49 41.904 41.904 41.618 0.286 19354 202 1 . 1 1 49 49 LEU H H 49 9.519 9.519 9.298 0.221 19354 203 1 . 1 1 50 50 ASP N N 50 115.013 115.013 119.522 -4.509 19354 204 1 . 1 1 50 50 ASP HA H 50 4.168 4.168 4.380 -0.212 19354 205 1 . 1 1 50 50 ASP C C 50 176.486 176.486 177.863 -1.377 19354 206 1 . 1 1 50 50 ASP CA C 50 58.352 58.352 56.597 1.755 19354 207 1 . 1 1 50 50 ASP CB C 50 41.259 41.259 40.723 0.536 19354 208 1 . 1 1 50 50 ASP H H 50 8.191 8.191 8.007 0.184 19354 209 1 . 1 1 51 51 LEU N N 51 118.298 118.298 118.591 -0.293 19354 210 1 . 1 1 51 51 LEU HA H 51 4.329 4.329 4.152 0.177 19354 211 1 . 1 1 51 51 LEU C C 51 175.556 175.556 176.851 -1.295 19354 212 1 . 1 1 51 51 LEU CA C 51 54.483 54.483 56.396 -1.913 19354 213 1 . 1 1 51 51 LEU CB C 51 39.219 39.219 42.422 -3.203 19354 214 1 . 1 1 51 51 LEU H H 51 8.732 8.732 7.703 1.029 19354 215 1 . 1 1 52 52 THR N N 52 106.427 106.427 109.114 -2.687 19354 216 1 . 1 1 52 52 THR HA H 52 2.784 2.784 4.443 -1.659 19354 217 1 . 1 1 52 52 THR C C 52 172.812 172.812 173.478 -0.666 19354 218 1 . 1 1 52 52 THR CA C 52 58.759 58.759 60.417 -1.658 19354 219 1 . 1 1 52 52 THR CB C 52 71.985 71.985 71.078 0.907 19354 220 1 . 1 1 52 52 THR H H 52 7.574 7.574 7.521 0.053 19354 221 1 . 1 1 53 53 ASP HA H 53 4.398 4.398 4.651 -0.253 19354 222 1 . 1 1 53 53 ASP CA C 53 52.757 52.757 53.211 -0.454 19354 223 1 . 1 1 53 53 ASP CB C 53 40.737 40.737 40.137 0.600 19354 224 1 . 1 1 54 54 PHE N N 54 117.929 117.929 117.757 0.172 19354 225 1 . 1 1 54 54 PHE HA H 54 4.498 4.498 4.669 -0.171 19354 226 1 . 1 1 54 54 PHE C C 54 176.169 176.169 175.660 0.509 19354 227 1 . 1 1 54 54 PHE CA C 54 57.477 57.477 56.880 0.597 19354 228 1 . 1 1 54 54 PHE CB C 54 39.270 39.270 40.512 -1.242 19354 229 1 . 1 1 54 54 PHE H H 54 7.575 7.575 7.420 0.155 19354 230 1 . 1 1 55 55 HIS N N 55 115.333 115.333 117.098 -1.765 19354 231 1 . 1 1 55 55 HIS HA H 55 4.585 4.585 4.788 -0.203 19354 232 1 . 1 1 55 55 HIS C C 55 175.080 175.080 174.451 0.628 19354 233 1 . 1 1 55 55 HIS CA C 55 56.439 56.439 56.337 0.102 19354 234 1 . 1 1 55 55 HIS CB C 55 31.104 31.104 31.329 -0.225 19354 235 1 . 1 1 55 55 HIS H H 55 9.230 9.230 8.823 0.406 19354 236 1 . 1 1 56 56 THR N N 56 106.891 106.891 111.221 -4.330 19354 237 1 . 1 1 56 56 THR HA H 56 4.528 4.528 4.373 0.155 19354 238 1 . 1 1 56 56 THR C C 56 173.696 173.696 174.162 -0.466 19354 239 1 . 1 1 56 56 THR CA C 56 58.725 58.725 60.831 -2.107 19354 240 1 . 1 1 56 56 THR CB C 56 72.851 72.851 70.182 2.669 19354 241 1 . 1 1 56 56 THR H H 56 7.343 7.343 7.524 -0.181 19354 242 1 . 1 1 57 57 GLU N N 57 121.798 121.798 123.398 -1.600 19354 243 1 . 1 1 57 57 GLU HA H 57 3.611 3.611 3.937 -0.326 19354 244 1 . 1 1 57 57 GLU C C 57 178.417 178.417 178.170 0.247 19354 245 1 . 1 1 57 57 GLU CA C 57 59.380 59.380 59.961 -0.581 19354 246 1 . 1 1 57 57 GLU CB C 57 29.873 29.873 29.625 0.248 19354 247 1 . 1 1 57 57 GLU H H 57 8.841 8.841 8.734 0.107 19354 248 1 . 1 1 58 58 LYS N N 58 121.091 121.091 118.533 2.558 19354 249 1 . 1 1 58 58 LYS HA H 58 3.903 3.903 3.920 -0.017 19354 250 1 . 1 1 58 58 LYS C C 58 177.745 177.745 178.618 -0.873 19354 251 1 . 1 1 58 58 LYS CA C 58 59.470 59.470 59.255 0.215 19354 252 1 . 1 1 58 58 LYS CB C 58 32.130 32.130 31.772 0.358 19354 253 1 . 1 1 58 58 LYS H H 58 8.307 8.307 7.757 0.550 19354 254 1 . 1 1 59 59 GLU N N 59 117.790 117.790 119.714 -1.924 19354 255 1 . 1 1 59 59 GLU HA H 59 3.852 3.852 3.976 -0.124 19354 256 1 . 1 1 59 59 GLU C C 59 178.051 178.051 178.343 -0.292 19354 257 1 . 1 1 59 59 GLU CA C 59 59.094 59.094 59.160 -0.066 19354 258 1 . 1 1 59 59 GLU CB C 59 30.468 30.468 29.317 1.151 19354 259 1 . 1 1 59 59 GLU H H 59 7.537 7.537 7.611 -0.074 19354 260 1 . 1 1 60 60 LEU N N 60 118.763 118.763 120.748 -1.985 19354 261 1 . 1 1 60 60 LEU HA H 60 3.211 3.211 2.748 0.463 19354 262 1 . 1 1 60 60 LEU C C 60 178.070 178.070 178.291 -0.221 19354 263 1 . 1 1 60 60 LEU CA C 60 59.007 59.007 57.243 1.763 19354 264 1 . 1 1 60 60 LEU CB C 60 42.750 42.750 41.841 0.909 19354 265 1 . 1 1 60 60 LEU H H 60 7.321 7.321 7.194 0.127 19354 266 1 . 1 1 61 61 ASN N N 61 116.987 116.987 116.609 0.378 19354 267 1 . 1 1 61 61 ASN HA H 61 4.127 4.127 4.291 -0.164 19354 268 1 . 1 1 61 61 ASN C C 61 177.689 177.689 177.352 0.337 19354 269 1 . 1 1 61 61 ASN CA C 61 57.310 57.310 56.300 1.010 19354 270 1 . 1 1 61 61 ASN CB C 61 39.288 39.288 38.502 0.786 19354 271 1 . 1 1 61 61 ASN H H 61 8.335 8.335 8.061 0.274 19354 272 1 . 1 1 62 62 ASP N N 62 120.935 120.935 119.708 1.227 19354 273 1 . 1 1 62 62 ASP HA H 62 4.306 4.306 4.427 -0.121 19354 274 1 . 1 1 62 62 ASP C C 62 178.868 178.868 178.273 0.595 19354 275 1 . 1 1 62 62 ASP CA C 62 57.510 57.510 56.685 0.825 19354 276 1 . 1 1 62 62 ASP CB C 62 39.596 39.596 40.781 -1.185 19354 277 1 . 1 1 62 62 ASP H H 62 8.376 8.376 7.994 0.382 19354 278 1 . 1 1 63 63 LYS N N 63 119.626 119.626 120.689 -1.063 19354 279 1 . 1 1 63 63 LYS HA H 63 4.168 4.168 4.119 0.049 19354 280 1 . 1 1 63 63 LYS C C 63 179.458 179.458 178.670 0.788 19354 281 1 . 1 1 63 63 LYS CA C 63 55.698 55.698 58.839 -3.141 19354 282 1 . 1 1 63 63 LYS CB C 63 31.082 31.082 32.116 -1.034 19354 283 1 . 1 1 63 63 LYS H H 63 7.748 7.748 7.711 0.037 19354 284 1 . 1 1 64 64 LEU N N 64 120.255 120.255 119.931 0.324 19354 285 1 . 1 1 64 64 LEU HA H 64 3.688 3.688 4.044 -0.356 19354 286 1 . 1 1 64 64 LEU C C 64 178.732 178.732 178.620 0.112 19354 287 1 . 1 1 64 64 LEU CA C 64 57.722 57.722 58.221 -0.499 19354 288 1 . 1 1 64 64 LEU CB C 64 41.236 41.236 41.310 -0.074 19354 289 1 . 1 1 64 64 LEU H H 64 8.221 8.221 7.616 0.605 19354 290 1 . 1 1 65 65 ASN N N 65 113.630 113.630 117.372 -3.742 19354 291 1 . 1 1 65 65 ASN HA H 65 4.580 4.580 4.349 0.231 19354 292 1 . 1 1 65 65 ASN C C 65 178.394 178.394 177.704 0.690 19354 293 1 . 1 1 65 65 ASN CA C 65 55.628 55.628 56.498 -0.870 19354 294 1 . 1 1 65 65 ASN CB C 65 38.269 38.269 37.911 0.357 19354 295 1 . 1 1 65 65 ASN H H 65 7.482 7.482 7.912 -0.430 19354 296 1 . 1 1 66 66 ASP N N 66 120.683 120.683 119.734 0.949 19354 297 1 . 1 1 66 66 ASP HA H 66 4.482 4.482 4.442 0.040 19354 298 1 . 1 1 66 66 ASP C C 66 179.095 179.095 178.835 0.260 19354 299 1 . 1 1 66 66 ASP CA C 66 56.623 56.623 57.578 -0.955 19354 300 1 . 1 1 66 66 ASP CB C 66 39.883 39.883 41.088 -1.205 19354 301 1 . 1 1 66 66 ASP H H 66 7.834 7.834 8.234 -0.400 19354 302 1 . 1 1 67 67 TYR N N 67 116.512 116.512 120.009 -3.497 19354 303 1 . 1 1 67 67 TYR HA H 67 3.984 3.984 4.360 -0.376 19354 304 1 . 1 1 67 67 TYR C C 67 176.554 176.554 177.679 -1.125 19354 305 1 . 1 1 67 67 TYR CA C 67 62.142 62.142 60.427 1.715 19354 306 1 . 1 1 67 67 TYR CB C 67 37.436 37.436 38.246 -0.810 19354 307 1 . 1 1 67 67 TYR H H 67 8.132 8.132 7.676 0.455 19354 308 1 . 1 1 68 68 TYR N N 68 118.786 118.786 120.428 -1.642 19354 309 1 . 1 1 68 68 TYR HA H 68 3.632 3.632 3.173 0.459 19354 310 1 . 1 1 68 68 TYR C C 68 177.915 177.915 177.718 0.197 19354 311 1 . 1 1 68 68 TYR CA C 68 61.395 61.395 61.722 -0.327 19354 312 1 . 1 1 68 68 TYR CB C 68 37.345 37.345 37.205 0.140 19354 313 1 . 1 1 68 68 TYR H H 68 7.558 7.558 8.333 -0.775 19354 314 1 . 1 1 69 69 ALA N N 69 120.715 120.715 121.915 -1.200 19354 315 1 . 1 1 69 69 ALA HA H 69 3.935 3.935 3.916 0.019 19354 316 1 . 1 1 69 69 ALA C C 69 179.390 179.390 179.143 0.247 19354 317 1 . 1 1 69 69 ALA CA C 69 54.015 54.015 54.655 -0.640 19354 318 1 . 1 1 69 69 ALA CB C 69 18.529 18.529 17.914 0.615 19354 319 1 . 1 1 69 69 ALA H H 69 7.453 7.453 7.728 -0.275 19354 320 1 . 1 1 70 70 LEU N N 70 117.212 117.212 119.163 -1.951 19354 321 1 . 1 1 70 70 LEU HA H 70 3.765 3.765 3.925 -0.160 19354 322 1 . 1 1 70 70 LEU C C 70 177.280 177.280 178.032 -0.752 19354 323 1 . 1 1 70 70 LEU CA C 70 56.634 56.634 56.902 -0.268 19354 324 1 . 1 1 70 70 LEU CB C 70 41.045 41.045 41.803 -0.758 19354 325 1 . 1 1 70 70 LEU H H 70 7.764 7.764 8.083 -0.319 19354 326 1 . 1 1 71 71 LYS N N 71 118.756 118.756 118.796 -0.040 19354 327 1 . 1 1 71 71 LYS HA H 71 3.039 3.039 3.475 -0.436 19354 328 1 . 1 1 71 71 LYS C C 71 177.121 177.121 177.844 -0.723 19354 329 1 . 1 1 71 71 LYS CA C 71 58.865 58.865 58.747 0.118 19354 330 1 . 1 1 71 71 LYS CB C 71 31.247 31.247 31.048 0.199 19354 331 1 . 1 1 71 71 LYS H H 71 7.001 7.001 7.937 -0.936 19354 332 1 . 1 1 72 72 HIS N N 72 113.331 113.331 118.026 -4.695 19354 333 1 . 1 1 72 72 HIS HA H 72 4.304 4.304 4.275 0.029 19354 334 1 . 1 1 72 72 HIS C C 72 174.232 174.232 176.026 -1.794 19354 335 1 . 1 1 72 72 HIS CA C 72 57.245 57.245 58.399 -1.154 19354 336 1 . 1 1 72 72 HIS CB C 72 30.221 30.221 30.216 0.005 19354 337 1 . 1 1 72 72 HIS H H 72 6.973 6.973 7.593 -0.620 19354 338 1 . 1 1 73 73 VAL N N 73 121.486 121.486 120.337 1.149 19354 339 1 . 1 1 73 73 VAL HA H 73 4.531 4.531 4.441 0.090 19354 340 1 . 1 1 73 73 VAL CA C 73 59.159 59.159 59.406 -0.247 19354 341 1 . 1 1 73 73 VAL CB C 73 30.604 30.604 32.653 -2.049 19354 342 1 . 1 1 73 73 VAL H H 73 7.821 7.821 7.941 -0.120 19354 343 1 . 1 1 74 74 PRO HA H 74 4.070 4.070 4.614 -0.544 19354 344 1 . 1 1 74 74 PRO CA C 74 66.637 66.637 65.226 1.411 19354 345 1 . 1 1 74 74 PRO CB C 74 32.212 32.212 32.175 0.037 19354 346 1 . 1 1 75 75 LYS N N 75 116.832 116.832 119.018 -2.186 19354 347 1 . 1 1 75 75 LYS HA H 75 4.099 4.099 4.150 -0.051 19354 348 1 . 1 1 75 75 LYS C C 75 180.048 180.048 177.667 2.381 19354 349 1 . 1 1 75 75 LYS CA C 75 59.398 59.398 58.940 0.458 19354 350 1 . 1 1 75 75 LYS CB C 75 31.296 31.296 31.403 -0.107 19354 351 1 . 1 1 75 75 LYS H H 75 9.234 9.234 8.683 0.550 19354 352 1 . 1 1 76 76 CYS N N 76 116.333 116.333 117.287 -0.954 19354 353 1 . 1 1 76 76 CYS HA H 76 4.320 4.320 4.685 -0.365 19354 354 1 . 1 1 76 76 CYS C C 76 175.012 175.012 176.256 -1.244 19354 355 1 . 1 1 76 76 CYS CA C 76 58.297 58.297 60.143 -1.846 19354 356 1 . 1 1 76 76 CYS CB C 76 38.803 38.803 27.675 11.128 19354 357 1 . 1 1 76 76 CYS H H 76 7.496 7.496 7.880 -0.384 19354 358 1 . 1 1 77 77 TRP N N 77 119.987 119.987 123.229 -3.242 19354 359 1 . 1 1 77 77 TRP HA H 77 4.452 4.452 4.297 0.155 19354 360 1 . 1 1 77 77 TRP C C 77 177.462 177.462 177.779 -0.317 19354 361 1 . 1 1 77 77 TRP CA C 77 58.821 58.821 59.973 -1.152 19354 362 1 . 1 1 77 77 TRP CB C 77 30.425 30.425 29.348 1.077 19354 363 1 . 1 1 77 77 TRP H H 77 8.254 8.254 8.561 -0.307 19354 364 1 . 1 1 78 78 ALA N N 78 116.093 116.093 119.699 -3.606 19354 365 1 . 1 1 78 78 ALA HA H 78 3.736 3.736 3.564 0.172 19354 366 1 . 1 1 78 78 ALA C C 78 178.845 178.845 178.836 0.009 19354 367 1 . 1 1 78 78 ALA CA C 78 54.188 54.188 53.889 0.299 19354 368 1 . 1 1 78 78 ALA CB C 78 18.323 18.323 17.722 0.601 19354 369 1 . 1 1 78 78 ALA H H 78 7.968 7.968 7.926 0.042 19354 370 1 . 1 1 79 79 ALA N N 79 116.351 116.351 120.548 -4.197 19354 371 1 . 1 1 79 79 ALA HA H 79 4.147 4.147 4.180 -0.033 19354 372 1 . 1 1 79 79 ALA C C 79 178.414 178.414 177.911 0.503 19354 373 1 . 1 1 79 79 ALA CA C 79 53.243 53.243 54.026 -0.783 19354 374 1 . 1 1 79 79 ALA CB C 79 19.832 19.832 19.097 0.735 19354 375 1 . 1 1 79 79 ALA H H 79 6.929 6.929 7.416 -0.487 19354 376 1 . 1 1 80 80 ILE N N 80 115.150 115.150 117.292 -2.142 19354 377 1 . 1 1 80 80 ILE HA H 80 4.218 4.218 4.219 -0.001 19354 378 1 . 1 1 80 80 ILE C C 80 176.350 176.350 176.211 0.139 19354 379 1 . 1 1 80 80 ILE CA C 80 62.069 62.069 59.931 2.138 19354 380 1 . 1 1 80 80 ILE CB C 80 39.375 39.375 38.098 1.277 19354 381 1 . 1 1 80 80 ILE H H 80 8.695 8.695 7.519 1.176 19354 382 1 . 1 1 81 81 GLN N N 81 122.564 122.564 121.611 0.953 19354 383 1 . 1 1 81 81 GLN HA H 81 3.332 3.332 3.959 -0.627 19354 384 1 . 1 1 81 81 GLN C C 81 173.470 173.470 175.279 -1.809 19354 385 1 . 1 1 81 81 GLN CA C 81 61.829 61.829 61.238 0.591 19354 386 1 . 1 1 81 81 GLN CB C 81 25.973 25.973 26.965 -0.992 19354 387 1 . 1 1 81 81 GLN H H 81 7.315 7.315 7.376 -0.061 19354 388 1 . 1 1 82 82 PRO HA H 82 4.076 4.076 4.248 -0.172 19354 389 1 . 1 1 82 82 PRO CA C 82 65.894 65.894 64.800 1.094 19354 390 1 . 1 1 82 82 PRO CB C 82 30.481 30.481 31.560 -1.079 19354 391 1 . 1 1 83 83 PHE N N 83 119.137 119.137 118.741 0.396 19354 392 1 . 1 1 83 83 PHE HA H 83 4.289 4.289 4.372 -0.083 19354 393 1 . 1 1 83 83 PHE C C 83 175.919 175.919 176.044 -0.125 19354 394 1 . 1 1 83 83 PHE CA C 83 59.712 59.712 56.964 2.748 19354 395 1 . 1 1 83 83 PHE CB C 83 39.329 39.329 38.889 0.440 19354 396 1 . 1 1 83 83 PHE H H 83 6.892 6.892 7.838 -0.946 19354 397 1 . 1 1 84 84 LEU N N 84 116.693 116.693 119.808 -3.115 19354 398 1 . 1 1 84 84 LEU HA H 84 3.611 3.611 3.406 0.205 19354 399 1 . 1 1 84 84 LEU C C 84 180.297 180.297 177.783 2.514 19354 400 1 . 1 1 84 84 LEU CA C 84 57.952 57.952 57.653 0.299 19354 401 1 . 1 1 84 84 LEU CB C 84 41.645 41.645 40.703 0.942 19354 402 1 . 1 1 84 84 LEU H H 84 8.589 8.589 7.850 0.739 19354 403 1 . 1 1 85 85 CYS N N 85 115.085 115.085 115.316 -0.231 19354 404 1 . 1 1 85 85 CYS HA H 85 4.127 4.127 4.281 -0.154 19354 405 1 . 1 1 85 85 CYS C C 85 175.556 175.556 176.383 -0.827 19354 406 1 . 1 1 85 85 CYS CA C 85 57.678 57.678 60.769 -3.091 19354 407 1 . 1 1 85 85 CYS CB C 85 39.396 39.396 27.040 12.356 19354 408 1 . 1 1 85 85 CYS H H 85 8.001 8.001 7.335 0.666 19354 409 1 . 1 1 86 86 ALA N N 86 121.743 121.743 121.438 0.305 19354 410 1 . 1 1 86 86 ALA HA H 86 3.922 3.922 4.271 -0.349 19354 411 1 . 1 1 86 86 ALA C C 86 177.745 177.745 177.214 0.531 19354 412 1 . 1 1 86 86 ALA CA C 86 54.306 54.306 53.662 0.644 19354 413 1 . 1 1 86 86 ALA CB C 86 18.778 18.778 18.281 0.497 19354 414 1 . 1 1 86 86 ALA H H 86 7.671 7.671 7.609 0.062 19354 415 1 . 1 1 87 87 VAL N N 87 115.667 115.667 115.932 -0.265 19354 416 1 . 1 1 87 87 VAL HA H 87 3.735 3.735 3.467 0.267 19354 417 1 . 1 1 87 87 VAL C C 87 175.806 175.806 175.248 0.558 19354 418 1 . 1 1 87 87 VAL CA C 87 64.622 64.622 63.218 1.404 19354 419 1 . 1 1 87 87 VAL CB C 87 32.936 32.936 31.775 1.161 19354 420 1 . 1 1 87 87 VAL H H 87 7.460 7.460 7.070 0.391 19354 421 1 . 1 1 88 88 PHE N N 88 115.306 115.306 115.775 -0.469 19354 422 1 . 1 1 88 88 PHE HA H 88 4.048 4.048 4.635 -0.587 19354 423 1 . 1 1 88 88 PHE C C 88 176.192 176.192 175.345 0.847 19354 424 1 . 1 1 88 88 PHE CA C 88 60.420 60.420 58.306 2.114 19354 425 1 . 1 1 88 88 PHE CB C 88 40.182 40.182 40.267 -0.085 19354 426 1 . 1 1 88 88 PHE H H 88 8.930 8.930 7.085 1.845 19354 427 1 . 1 1 89 89 LYS N N 89 115.470 115.470 119.365 -3.895 19354 428 1 . 1 1 89 89 LYS HA H 89 4.816 4.816 4.822 -0.006 19354 429 1 . 1 1 89 89 LYS C C 89 184.176 184.176 174.082 10.094 19354 430 1 . 1 1 89 89 LYS CA C 89 53.428 53.428 53.271 0.157 19354 431 1 . 1 1 89 89 LYS CB C 89 33.274 33.274 32.218 1.056 19354 432 1 . 1 1 89 89 LYS H H 89 7.802 7.802 7.657 0.145 19354 433 1 . 1 1 90 90 PRO HA H 90 4.250 4.250 4.282 -0.032 19354 434 1 . 1 1 90 90 PRO CA C 90 62.682 62.682 62.398 0.284 19354 435 1 . 1 1 90 90 PRO CB C 90 32.358 32.358 32.436 -0.078 19354 436 1 . 1 1 91 91 LYS N N 91 122.391 122.391 121.514 0.877 19354 437 1 . 1 1 91 91 LYS HA H 91 3.039 3.039 2.911 0.128 19354 438 1 . 1 1 91 91 LYS C C 91 173.356 173.356 175.262 -1.907 19354 439 1 . 1 1 91 91 LYS CA C 91 58.027 58.027 55.698 2.329 19354 440 1 . 1 1 91 91 LYS CB C 91 31.285 31.285 31.948 -0.663 19354 441 1 . 1 1 91 91 LYS H H 91 8.537 8.537 8.223 0.314 19354 442 1 . 1 1 92 92 CYS N N 92 127.562 127.562 126.979 0.583 19354 443 1 . 1 1 92 92 CYS HA H 92 5.391 5.391 4.853 0.538 19354 444 1 . 1 1 92 92 CYS C C 92 171.655 171.655 173.547 -1.892 19354 445 1 . 1 1 92 92 CYS CA C 92 53.804 53.804 57.630 -3.826 19354 446 1 . 1 1 92 92 CYS CB C 92 41.219 41.219 27.394 13.825 19354 447 1 . 1 1 92 92 CYS H H 92 7.037 7.037 8.176 -1.139 19354 448 1 . 1 1 93 93 GLU N N 93 124.483 124.483 126.908 -2.425 19354 449 1 . 1 1 93 93 GLU HA H 93 4.492 4.492 4.688 -0.196 19354 450 1 . 1 1 93 93 GLU C C 93 173.371 173.371 174.744 -1.373 19354 451 1 . 1 1 93 93 GLU CA C 93 54.874 54.874 54.525 0.349 19354 452 1 . 1 1 93 93 GLU CB C 93 34.630 34.630 32.770 1.860 19354 453 1 . 1 1 93 93 GLU H H 93 9.401 9.401 8.199 1.202 19354 454 1 . 1 1 94 94 LYS N N 94 122.694 122.694 120.905 1.789 19354 455 1 . 1 1 94 94 LYS HA H 94 4.581 4.581 4.733 -0.152 19354 456 1 . 1 1 94 94 LYS C C 94 176.509 176.509 176.448 0.061 19354 457 1 . 1 1 94 94 LYS CA C 94 55.856 55.856 55.477 0.379 19354 458 1 . 1 1 94 94 LYS CB C 94 31.809 31.809 33.078 -1.269 19354 459 1 . 1 1 94 94 LYS H H 94 8.526 8.526 8.532 -0.006 19354 460 1 . 1 1 95 95 ILE N N 95 128.382 128.382 126.866 1.516 19354 461 1 . 1 1 95 95 ILE HA H 95 4.049 4.049 4.130 -0.081 19354 462 1 . 1 1 95 95 ILE C C 95 176.337 176.337 176.033 0.304 19354 463 1 . 1 1 95 95 ILE CA C 95 60.847 60.847 60.752 0.095 19354 464 1 . 1 1 95 95 ILE CB C 95 39.625 39.625 38.095 1.530 19354 465 1 . 1 1 95 95 ILE H H 95 9.001 9.001 8.565 0.436 19354 466 1 . 1 1 96 96 ASN N N 96 127.596 127.596 127.487 0.109 19354 467 1 . 1 1 96 96 ASN HA H 96 4.212 4.212 4.405 -0.193 19354 468 1 . 1 1 96 96 ASN C C 96 175.496 175.496 175.186 0.310 19354 469 1 . 1 1 96 96 ASN CA C 96 53.970 53.970 53.668 0.302 19354 470 1 . 1 1 96 96 ASN CB C 96 37.238 37.238 37.826 -0.588 19354 471 1 . 1 1 96 96 ASN H H 96 9.474 9.474 9.364 0.110 19354 472 1 . 1 1 97 97 GLY N N 97 101.656 101.656 103.088 -1.432 19354 473 1 . 1 1 97 97 GLY C C 97 173.651 173.651 173.582 0.069 19354 474 1 . 1 1 97 97 GLY CA C 97 45.167 45.167 44.887 0.280 19354 475 1 . 1 1 97 97 GLY H H 97 8.476 8.476 8.152 0.324 19354 476 1 . 1 1 98 98 GLU N N 98 120.042 120.042 120.681 -0.640 19354 477 1 . 1 1 98 98 GLU HA H 98 4.587 4.587 4.491 0.097 19354 478 1 . 1 1 98 98 GLU C C 98 174.422 174.422 175.087 -0.665 19354 479 1 . 1 1 98 98 GLU CA C 98 54.294 54.294 54.394 -0.100 19354 480 1 . 1 1 98 98 GLU CB C 98 32.934 32.934 31.624 1.310 19354 481 1 . 1 1 98 98 GLU H H 98 7.591 7.591 7.748 -0.157 19354 482 1 . 1 1 99 99 ASP N N 99 126.603 126.603 127.449 -0.846 19354 483 1 . 1 1 99 99 ASP HA H 99 4.340 4.340 4.504 -0.164 19354 484 1 . 1 1 99 99 ASP C C 99 176.214 176.214 175.598 0.616 19354 485 1 . 1 1 99 99 ASP CA C 99 55.408 55.408 55.883 -0.475 19354 486 1 . 1 1 99 99 ASP CB C 99 41.629 41.629 40.473 1.156 19354 487 1 . 1 1 99 99 ASP H H 99 8.489 8.489 8.762 -0.273 19354 488 1 . 1 1 100 100 MET N N 100 121.977 121.977 121.544 0.433 19354 489 1 . 1 1 100 100 MET HA H 100 4.911 4.911 5.410 -0.499 19354 490 1 . 1 1 100 100 MET C C 100 172.900 172.900 174.789 -1.889 19354 491 1 . 1 1 100 100 MET CA C 100 53.649 53.649 53.650 -0.001 19354 492 1 . 1 1 100 100 MET CB C 100 35.529 35.529 37.038 -1.509 19354 493 1 . 1 1 100 100 MET H H 100 8.853 8.853 8.808 0.045 19354 494 1 . 1 1 101 101 VAL N N 101 119.963 119.963 112.721 7.242 19354 495 1 . 1 1 101 101 VAL HA H 101 4.814 4.814 4.484 0.330 19354 496 1 . 1 1 101 101 VAL C C 101 172.991 172.991 173.603 -0.612 19354 497 1 . 1 1 101 101 VAL CA C 101 58.203 58.203 59.498 -1.295 19354 498 1 . 1 1 101 101 VAL CB C 101 34.629 34.629 34.856 -0.227 19354 499 1 . 1 1 101 101 VAL H H 101 8.964 8.964 8.153 0.811 19354 500 1 . 1 1 102 102 TYR N N 102 125.849 125.849 121.405 4.444 19354 501 1 . 1 1 102 102 TYR HA H 102 4.444 4.444 4.925 -0.481 19354 502 1 . 1 1 102 102 TYR C C 102 176.464 176.464 175.864 0.600 19354 503 1 . 1 1 102 102 TYR CA C 102 57.549 57.549 57.153 0.395 19354 504 1 . 1 1 102 102 TYR CB C 102 38.274 38.274 39.936 -1.662 19354 505 1 . 1 1 102 102 TYR H H 102 8.137 8.137 7.971 0.166 19354 506 1 . 1 1 103 103 LEU N N 103 123.151 123.151 123.234 -0.083 19354 507 1 . 1 1 103 103 LEU HA H 103 4.683 4.683 4.808 -0.125 19354 508 1 . 1 1 103 103 LEU CA C 103 52.426 52.426 52.140 0.286 19354 509 1 . 1 1 103 103 LEU CB C 103 42.038 42.038 41.973 0.065 19354 510 1 . 1 1 103 103 LEU H H 103 8.308 8.308 8.195 0.113 19354 511 1 . 1 1 104 104 PRO HA H 104 4.678 4.678 4.552 0.126 19354 512 1 . 1 1 104 104 PRO CA C 104 61.704 61.704 62.671 -0.967 19354 513 1 . 1 1 104 104 PRO CB C 104 32.020 32.020 32.468 -0.448 19354 514 1 . 1 1 105 105 SER N N 105 113.955 113.955 116.145 -2.190 19354 515 1 . 1 1 105 105 SER HA H 105 4.632 4.632 4.642 -0.010 19354 516 1 . 1 1 105 105 SER C C 105 175.473 175.473 176.073 -0.600 19354 517 1 . 1 1 105 105 SER CA C 105 56.324 56.324 57.278 -0.954 19354 518 1 . 1 1 105 105 SER CB C 105 65.193 65.193 65.111 0.082 19354 519 1 . 1 1 105 105 SER H H 105 7.668 7.668 8.259 -0.591 19354 520 1 . 1 1 106 106 TYR N N 106 122.582 122.582 120.934 1.647 19354 521 1 . 1 1 106 106 TYR HA H 106 3.724 3.724 4.091 -0.367 19354 522 1 . 1 1 106 106 TYR C C 106 178.116 178.116 177.363 0.753 19354 523 1 . 1 1 106 106 TYR CA C 106 62.057 62.057 60.567 1.490 19354 524 1 . 1 1 106 106 TYR CB C 106 37.925 37.925 37.609 0.316 19354 525 1 . 1 1 106 106 TYR H H 106 8.492 8.492 9.060 -0.568 19354 526 1 . 1 1 107 107 GLU N N 107 118.362 118.362 119.439 -1.077 19354 527 1 . 1 1 107 107 GLU HA H 107 3.846 3.846 3.501 0.345 19354 528 1 . 1 1 107 107 GLU C C 107 177.421 177.421 178.522 -1.101 19354 529 1 . 1 1 107 107 GLU CA C 107 58.867 58.867 59.234 -0.367 19354 530 1 . 1 1 107 107 GLU CB C 107 28.969 28.969 28.729 0.240 19354 531 1 . 1 1 107 107 GLU H H 107 8.503 8.503 7.908 0.595 19354 532 1 . 1 1 108 108 MET N N 108 116.221 116.221 117.740 -1.519 19354 533 1 . 1 1 108 108 MET HA H 108 3.708 3.708 3.941 -0.233 19354 534 1 . 1 1 108 108 MET C C 108 176.804 176.804 178.025 -1.220 19354 535 1 . 1 1 108 108 MET CA C 108 58.648 58.648 58.276 0.372 19354 536 1 . 1 1 108 108 MET CB C 108 33.058 33.058 31.664 1.394 19354 537 1 . 1 1 108 108 MET H H 108 7.409 7.409 7.763 -0.354 19354 538 1 . 1 1 109 109 CYS N N 109 114.131 114.131 116.382 -2.251 19354 539 1 . 1 1 109 109 CYS HA H 109 3.857 3.857 3.702 0.155 19354 540 1 . 1 1 109 109 CYS C C 109 178.047 178.047 176.888 1.159 19354 541 1 . 1 1 109 109 CYS CA C 109 58.737 58.737 60.303 -1.566 19354 542 1 . 1 1 109 109 CYS CB C 109 35.006 35.006 26.051 8.955 19354 543 1 . 1 1 109 109 CYS H H 109 6.817 6.817 7.656 -0.839 19354 544 1 . 1 1 110 110 ARG N N 110 124.629 124.629 121.153 3.476 19354 545 1 . 1 1 110 110 ARG HA H 110 3.376 3.376 4.031 -0.655 19354 546 1 . 1 1 110 110 ARG C C 110 179.435 179.435 178.154 1.281 19354 547 1 . 1 1 110 110 ARG CA C 110 59.641 59.641 58.808 0.833 19354 548 1 . 1 1 110 110 ARG CB C 110 29.273 29.273 29.509 -0.236 19354 549 1 . 1 1 110 110 ARG H H 110 8.885 8.885 7.719 1.166 19354 550 1 . 1 1 111 111 ILE N N 111 113.379 113.379 117.221 -3.842 19354 551 1 . 1 1 111 111 ILE HA H 111 3.796 3.796 3.777 0.019 19354 552 1 . 1 1 111 111 ILE C C 111 175.624 175.624 177.129 -1.505 19354 553 1 . 1 1 111 111 ILE CA C 111 63.811 63.811 63.796 0.015 19354 554 1 . 1 1 111 111 ILE CB C 111 38.229 38.229 36.724 1.505 19354 555 1 . 1 1 111 111 ILE H H 111 7.422 7.422 7.883 -0.461 19354 556 1 . 1 1 112 112 THR N N 112 109.403 109.403 109.566 -0.163 19354 557 1 . 1 1 112 112 THR HA H 112 3.889 3.889 4.282 -0.393 19354 558 1 . 1 1 112 112 THR C C 112 175.798 175.798 175.978 -0.180 19354 559 1 . 1 1 112 112 THR CA C 112 62.856 62.856 64.032 -1.176 19354 560 1 . 1 1 112 112 THR CB C 112 70.168 70.168 69.476 0.692 19354 561 1 . 1 1 112 112 THR H H 112 7.574 7.574 7.389 0.186 19354 562 1 . 1 1 113 113 MET N N 113 119.638 119.638 120.485 -0.847 19354 563 1 . 1 1 113 113 MET HA H 113 3.541 3.541 4.453 -0.912 19354 564 1 . 1 1 113 113 MET C C 113 177.174 177.174 177.644 -0.470 19354 565 1 . 1 1 113 113 MET CA C 113 60.235 60.235 58.695 1.540 19354 566 1 . 1 1 113 113 MET CB C 113 32.338 32.338 32.607 -0.269 19354 567 1 . 1 1 113 113 MET H H 113 7.152 7.152 7.517 -0.365 19354 568 1 . 1 1 114 114 GLU N N 114 117.224 117.224 119.552 -2.328 19354 569 1 . 1 1 114 114 GLU HA H 114 4.114 4.114 4.163 -0.049 19354 570 1 . 1 1 114 114 GLU CA C 114 60.422 60.422 60.152 0.271 19354 571 1 . 1 1 114 114 GLU CB C 114 26.103 26.103 28.365 -2.262 19354 572 1 . 1 1 114 114 GLU H H 114 8.580 8.580 8.131 0.449 19354 573 1 . 1 1 115 115 PRO HA H 115 4.304 4.304 4.398 -0.094 19354 574 1 . 1 1 115 115 PRO CA C 115 65.128 65.128 64.005 1.123 19354 575 1 . 1 1 115 115 PRO CB C 115 31.141 31.141 31.995 -0.854 19354 576 1 . 1 1 116 116 CYS N N 116 111.879 111.879 120.608 -8.729 19354 577 1 . 1 1 116 116 CYS HA H 116 4.679 4.679 4.752 -0.073 19354 578 1 . 1 1 116 116 CYS C C 116 174.808 174.808 175.818 -1.010 19354 579 1 . 1 1 116 116 CYS CA C 116 54.060 54.060 58.239 -4.179 19354 580 1 . 1 1 116 116 CYS CB C 116 42.879 42.879 25.982 16.897 19354 581 1 . 1 1 116 116 CYS H H 116 7.208 7.208 8.222 -1.014 19354 582 1 . 1 1 117 117 ARG N N 117 123.750 123.750 124.564 -0.814 19354 583 1 . 1 1 117 117 ARG HA H 117 3.161 3.161 4.175 -1.014 19354 584 1 . 1 1 117 117 ARG C C 117 178.210 178.210 177.016 1.194 19354 585 1 . 1 1 117 117 ARG CA C 117 59.743 59.743 58.932 0.811 19354 586 1 . 1 1 117 117 ARG CB C 117 29.486 29.486 30.467 -0.981 19354 587 1 . 1 1 117 117 ARG H H 117 7.436 7.436 8.236 -0.800 19354 588 1 . 1 1 118 118 ILE N N 118 116.384 116.384 117.797 -1.413 19354 589 1 . 1 1 118 118 ILE HA H 118 4.000 4.000 3.847 0.153 19354 590 1 . 1 1 118 118 ILE C C 118 176.577 176.577 176.353 0.224 19354 591 1 . 1 1 118 118 ILE CA C 118 63.166 63.166 62.465 0.701 19354 592 1 . 1 1 118 118 ILE CB C 118 37.781 37.781 36.745 1.036 19354 593 1 . 1 1 118 118 ILE H H 118 8.130 8.130 8.102 0.028 19354 594 1 . 1 1 119 119 LEU N N 119 119.738 119.738 118.875 0.863 19354 595 1 . 1 1 119 119 LEU HA H 119 4.540 4.540 4.319 0.221 19354 596 1 . 1 1 119 119 LEU C C 119 178.346 178.346 177.288 1.058 19354 597 1 . 1 1 119 119 LEU CA C 119 54.697 54.697 53.391 1.306 19354 598 1 . 1 1 119 119 LEU CB C 119 42.872 42.872 40.150 2.722 19354 599 1 . 1 1 119 119 LEU H H 119 7.771 7.771 7.486 0.285 19354 600 1 . 1 1 120 120 TYR N N 120 121.945 121.945 117.466 4.479 19354 601 1 . 1 1 120 120 TYR HA H 120 4.125 4.125 4.175 -0.050 19354 602 1 . 1 1 120 120 TYR C C 120 176.169 176.169 175.934 0.235 19354 603 1 . 1 1 120 120 TYR CA C 120 59.682 59.682 59.682 -0.000 19354 604 1 . 1 1 120 120 TYR CB C 120 37.180 37.180 38.065 -0.884 19354 605 1 . 1 1 120 120 TYR H H 120 7.886 7.886 7.480 0.406 19354 606 1 . 1 1 121 121 ASN N N 121 115.992 115.992 111.177 4.815 19354 607 1 . 1 1 121 121 ASN HA H 121 4.885 4.885 4.708 0.177 19354 608 1 . 1 1 121 121 ASN C C 121 175.612 175.612 174.853 0.759 19354 609 1 . 1 1 121 121 ASN CA C 121 52.670 52.670 53.133 -0.463 19354 610 1 . 1 1 121 121 ASN CB C 121 38.058 38.058 39.057 -0.999 19354 611 1 . 1 1 121 121 ASN H H 121 8.228 8.228 7.987 0.241 19354 612 1 . 1 1 122 122 THR N N 122 109.094 109.094 116.605 -7.511 19354 613 1 . 1 1 122 122 THR HA H 122 4.682 4.682 4.304 0.378 19354 614 1 . 1 1 122 122 THR C C 122 175.844 175.844 174.752 1.091 19354 615 1 . 1 1 122 122 THR CA C 122 61.815 61.815 62.948 -1.133 19354 616 1 . 1 1 122 122 THR CB C 122 72.484 72.484 69.709 2.775 19354 617 1 . 1 1 122 122 THR H H 122 7.649 7.649 8.017 -0.368 19354 618 1 . 1 1 123 123 THR N N 123 112.067 112.067 118.512 -6.445 19354 619 1 . 1 1 123 123 THR HA H 123 4.026 4.026 4.467 -0.441 19354 620 1 . 1 1 123 123 THR C C 123 175.033 175.033 173.804 1.229 19354 621 1 . 1 1 123 123 THR CA C 123 63.174 63.174 62.158 1.016 19354 622 1 . 1 1 123 123 THR CB C 123 68.529 68.529 68.411 0.118 19354 623 1 . 1 1 123 123 THR H H 123 8.261 8.261 8.455 -0.194 19354 624 1 . 1 1 124 124 PHE N N 124 118.139 118.139 123.604 -5.465 19354 625 1 . 1 1 124 124 PHE HA H 124 4.153 4.153 4.457 -0.304 19354 626 1 . 1 1 124 124 PHE C C 124 175.398 175.398 174.679 0.719 19354 627 1 . 1 1 124 124 PHE CA C 124 59.890 59.890 58.441 1.449 19354 628 1 . 1 1 124 124 PHE CB C 124 39.668 39.668 40.421 -0.753 19354 629 1 . 1 1 124 124 PHE H H 124 7.764 7.764 8.103 -0.339 19354 630 1 . 1 1 125 125 PHE N N 125 118.447 118.447 117.722 0.725 19354 631 1 . 1 1 125 125 PHE HA H 125 4.662 4.662 4.960 -0.298 19354 632 1 . 1 1 125 125 PHE CA C 125 56.245 56.245 54.998 1.247 19354 633 1 . 1 1 125 125 PHE CB C 125 38.810 38.810 39.361 -0.551 19354 634 1 . 1 1 125 125 PHE H H 125 7.670 7.670 8.015 -0.345 19354 635 1 . 1 1 126 126 PRO HA H 126 4.398 4.398 4.481 -0.083 19354 636 1 . 1 1 126 126 PRO CA C 126 62.432 62.432 64.090 -1.658 19354 637 1 . 1 1 126 126 PRO CB C 126 32.670 32.670 32.364 0.306 19354 638 1 . 1 1 127 127 LYS N N 127 118.753 118.753 118.648 0.105 19354 639 1 . 1 1 127 127 LYS HA H 127 3.580 3.580 4.185 -0.605 19354 640 1 . 1 1 127 127 LYS C C 127 177.977 177.977 178.344 -0.367 19354 641 1 . 1 1 127 127 LYS CA C 127 60.279 60.279 58.638 1.641 19354 642 1 . 1 1 127 127 LYS CB C 127 31.599 31.599 31.457 0.142 19354 643 1 . 1 1 127 127 LYS H H 127 8.565 8.565 8.574 -0.009 19354 644 1 . 1 1 128 128 PHE N N 128 110.638 110.638 118.516 -7.878 19354 645 1 . 1 1 128 128 PHE HA H 128 4.481 4.481 4.584 -0.103 19354 646 1 . 1 1 128 128 PHE C C 128 173.946 173.946 175.448 -1.502 19354 647 1 . 1 1 128 128 PHE CA C 128 57.841 57.841 59.603 -1.762 19354 648 1 . 1 1 128 128 PHE CB C 128 36.807 36.807 39.405 -2.598 19354 649 1 . 1 1 128 128 PHE H H 128 6.795 6.795 8.013 -1.218 19354 650 1 . 1 1 129 129 LEU N N 129 119.653 119.653 119.526 0.127 19354 651 1 . 1 1 129 129 LEU HA H 129 4.710 4.710 3.950 0.760 19354 652 1 . 1 1 129 129 LEU C C 129 175.398 175.398 176.603 -1.205 19354 653 1 . 1 1 129 129 LEU CA C 129 53.169 53.169 54.664 -1.495 19354 654 1 . 1 1 129 129 LEU CB C 129 44.901 44.901 41.980 2.921 19354 655 1 . 1 1 129 129 LEU H H 129 7.204 7.204 7.546 -0.342 19354 656 1 . 1 1 130 130 ARG N N 130 116.807 116.807 119.135 -2.328 19354 657 1 . 1 1 130 130 ARG HA H 130 4.328 4.328 4.127 0.201 19354 658 1 . 1 1 130 130 ARG C C 130 177.099 177.099 175.015 2.084 19354 659 1 . 1 1 130 130 ARG CA C 130 55.250 55.250 56.656 -1.406 19354 660 1 . 1 1 130 130 ARG CB C 130 30.355 30.355 28.021 2.334 19354 661 1 . 1 1 130 130 ARG H H 130 7.090 7.090 8.182 -1.092 19354 662 1 . 1 1 131 131 CYS N N 131 117.271 117.271 118.410 -1.139 19354 663 1 . 1 1 131 131 CYS HA H 131 4.588 4.588 4.737 -0.149 19354 664 1 . 1 1 131 131 CYS C C 131 175.022 175.022 173.366 1.656 19354 665 1 . 1 1 131 131 CYS CA C 131 54.449 54.449 57.135 -2.686 19354 666 1 . 1 1 131 131 CYS CB C 131 34.958 34.958 30.630 4.328 19354 667 1 . 1 1 131 131 CYS H H 131 8.210 8.210 8.172 0.038 19354 668 1 . 1 1 132 132 ASN N N 132 120.232 120.232 122.496 -2.264 19354 669 1 . 1 1 132 132 ASN HA H 132 4.811 4.811 4.703 0.108 19354 670 1 . 1 1 132 132 ASN C C 132 175.080 175.080 174.624 0.456 19354 671 1 . 1 1 132 132 ASN CA C 132 53.188 53.188 53.228 -0.040 19354 672 1 . 1 1 132 132 ASN CB C 132 40.003 40.003 39.216 0.787 19354 673 1 . 1 1 132 132 ASN H H 132 7.801 7.801 8.518 -0.717 19354 674 1 . 1 1 133 133 GLU N N 133 123.435 123.435 122.358 1.077 19354 675 1 . 1 1 133 133 GLU HA H 133 4.225 4.225 4.372 -0.147 19354 676 1 . 1 1 133 133 GLU C C 133 176.447 176.447 176.976 -0.529 19354 677 1 . 1 1 133 133 GLU CA C 133 57.928 57.928 57.302 0.626 19354 678 1 . 1 1 133 133 GLU CB C 133 29.822 29.822 30.501 -0.679 19354 679 1 . 1 1 133 133 GLU H H 133 9.086 9.086 8.634 0.452 19354 680 1 . 1 1 134 134 THR N N 134 113.403 113.403 113.317 0.086 19354 681 1 . 1 1 134 134 THR HA H 134 3.964 3.964 4.153 -0.189 19354 682 1 . 1 1 134 134 THR C C 134 174.853 174.853 175.100 -0.247 19354 683 1 . 1 1 134 134 THR CA C 134 63.694 63.694 63.326 0.368 19354 684 1 . 1 1 134 134 THR CB C 134 68.841 68.841 68.528 0.313 19354 685 1 . 1 1 134 134 THR H H 134 8.067 8.067 8.273 -0.206 19354 686 1 . 1 1 135 135 LEU N N 135 121.377 121.377 119.343 2.034 19354 687 1 . 1 1 135 135 LEU HA H 135 3.964 3.964 4.387 -0.423 19354 688 1 . 1 1 135 135 LEU C C 135 176.215 176.215 176.227 -0.012 19354 689 1 . 1 1 135 135 LEU CA C 135 55.656 55.656 55.271 0.385 19354 690 1 . 1 1 135 135 LEU CB C 135 42.291 42.291 42.691 -0.400 19354 691 1 . 1 1 135 135 LEU H H 135 7.448 7.448 7.578 -0.130 19354 692 1 . 1 1 136 136 PHE N N 136 117.704 117.704 116.987 0.717 19354 693 1 . 1 1 136 136 PHE HA H 136 5.202 5.202 4.796 0.406 19354 694 1 . 1 1 136 136 PHE C C 136 179.412 179.412 174.244 5.168 19354 695 1 . 1 1 136 136 PHE CA C 136 53.495 53.495 55.571 -2.076 19354 696 1 . 1 1 136 136 PHE CB C 136 39.248 39.248 38.245 1.003 19354 697 1 . 1 1 136 136 PHE H H 136 7.542 7.542 8.197 -0.655 19354 698 1 . 1 1 137 137 PRO HA H 137 4.528 4.528 4.418 0.110 19354 699 1 . 1 1 137 137 PRO CA C 137 62.949 62.949 64.109 -1.160 19354 700 1 . 1 1 137 137 PRO CB C 137 32.242 32.242 32.319 -0.077 19354 701 1 . 1 1 138 138 THR N N 138 114.025 114.025 111.542 2.483 19354 702 1 . 1 1 138 138 THR HA H 138 4.324 4.324 4.065 0.259 19354 703 1 . 1 1 138 138 THR C C 138 174.175 174.175 174.558 -0.383 19354 704 1 . 1 1 138 138 THR CA C 138 61.863 61.863 63.162 -1.298 19354 705 1 . 1 1 138 138 THR CB C 138 69.742 69.742 68.960 0.782 19354 706 1 . 1 1 138 138 THR H H 138 8.452 8.452 8.263 0.189 19354 stop_ save_