data_18681 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18681 _Entry.PDB_ID 2LXL 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 18681 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ALA N N 2 125.894 125.894 125.756 0.138 18681 2 1 1 . 1 1 2 2 ALA HA H 2 4.192 4.192 4.324 -0.132 18681 3 1 1 . 1 1 2 2 ALA CA C 2 52.096 52.096 52.108 -0.012 18681 4 1 1 . 1 1 2 2 ALA CB C 2 19.072 19.072 19.378 -0.306 18681 5 1 1 . 1 1 2 2 ALA H H 2 8.413 8.413 8.142 0.271 18681 6 1 1 . 1 1 3 3 ALA N N 3 123.543 123.543 125.077 -1.534 18681 7 1 1 . 1 1 3 3 ALA HA H 3 4.226 4.226 4.701 -0.475 18681 8 1 1 . 1 1 3 3 ALA CA C 3 51.943 51.943 51.787 0.156 18681 9 1 1 . 1 1 3 3 ALA CB C 3 18.992 18.992 20.744 -1.752 18681 10 1 1 . 1 1 3 3 ALA H H 3 8.233 8.233 8.213 0.020 18681 11 1 1 . 1 1 4 4 LEU N N 4 121.641 121.641 121.657 -0.016 18681 12 1 1 . 1 1 4 4 LEU HA H 4 4.284 4.284 4.690 -0.406 18681 13 1 1 . 1 1 4 4 LEU CA C 4 53.885 53.885 53.791 0.094 18681 14 1 1 . 1 1 4 4 LEU CB C 4 42.307 42.307 43.794 -1.487 18681 15 1 1 . 1 1 4 4 LEU H H 4 8.114 8.114 8.490 -0.376 18681 16 1 1 . 1 1 5 5 ALA N N 5 128.329 128.329 124.944 3.385 18681 17 1 1 . 1 1 5 5 ALA HA H 5 4.453 4.453 4.338 0.115 18681 18 1 1 . 1 1 5 5 ALA CA C 5 50.164 50.164 50.984 -0.820 18681 19 1 1 . 1 1 5 5 ALA CB C 5 17.687 17.687 18.174 -0.487 18681 20 1 1 . 1 1 5 5 ALA H H 5 8.623 8.623 8.224 0.399 18681 21 1 1 . 1 1 6 6 PRO HA H 6 4.274 4.274 4.339 -0.065 18681 22 1 1 . 1 1 6 6 PRO CA C 6 62.403 62.403 63.140 -0.737 18681 23 1 1 . 1 1 6 6 PRO CB C 6 32.105 32.105 32.228 -0.123 18681 24 1 1 . 1 1 7 7 LEU N N 7 122.228 122.228 123.383 -1.155 18681 25 1 1 . 1 1 7 7 LEU HA H 7 4.324 4.324 4.677 -0.353 18681 26 1 1 . 1 1 7 7 LEU CA C 7 52.914 52.914 51.713 1.201 18681 27 1 1 . 1 1 7 7 LEU CB C 7 40.952 40.952 40.676 0.276 18681 28 1 1 . 1 1 7 7 LEU H H 7 8.264 8.264 8.225 0.039 18681 29 1 1 . 1 1 8 8 PRO HA H 8 4.745 4.745 4.622 0.123 18681 30 1 1 . 1 1 9 9 PRO HA H 9 4.200 4.200 4.316 -0.116 18681 31 1 1 . 1 1 9 9 PRO CA C 9 62.648 62.648 63.465 -0.817 18681 32 1 1 . 1 1 9 9 PRO CB C 9 31.646 31.646 32.390 -0.744 18681 33 1 1 . 1 1 10 10 LEU N N 10 125.824 125.824 123.841 1.983 18681 34 1 1 . 1 1 10 10 LEU HA H 10 3.742 3.742 4.515 -0.773 18681 35 1 1 . 1 1 10 10 LEU CA C 10 53.064 53.064 51.972 1.092 18681 36 1 1 . 1 1 10 10 LEU CB C 10 42.980 42.980 43.063 -0.083 18681 37 1 1 . 1 1 10 10 LEU H H 10 8.172 8.172 8.176 -0.004 18681 38 1 1 . 1 1 11 11 PRO HA H 11 4.175 4.175 4.506 -0.331 18681 39 1 1 . 1 1 11 11 PRO CA C 11 62.124 62.124 62.197 -0.073 18681 40 1 1 . 1 1 11 11 PRO CB C 11 32.442 32.442 32.628 -0.186 18681 41 1 1 . 1 1 12 12 ALA N N 12 128.292 128.292 123.432 4.860 18681 42 1 1 . 1 1 12 12 ALA HA H 12 3.920 3.920 4.007 -0.087 18681 43 1 1 . 1 1 12 12 ALA CA C 12 55.057 55.057 54.381 0.676 18681 44 1 1 . 1 1 12 12 ALA CB C 12 17.918 17.918 18.914 -0.996 18681 45 1 1 . 1 1 12 12 ALA H H 12 8.851 8.851 8.471 0.380 18681 46 1 1 . 1 1 13 13 GLN N N 13 115.075 115.075 118.561 -3.486 18681 47 1 1 . 1 1 13 13 GLN HA H 13 4.024 4.024 3.878 0.146 18681 48 1 1 . 1 1 13 13 GLN CA C 13 58.436 58.436 58.119 0.317 18681 49 1 1 . 1 1 13 13 GLN CB C 13 28.058 28.058 28.187 -0.129 18681 50 1 1 . 1 1 13 13 GLN H H 13 9.448 9.448 8.155 1.293 18681 51 1 1 . 1 1 14 14 PHE N N 14 116.832 116.832 115.142 1.690 18681 52 1 1 . 1 1 14 14 PHE HA H 14 4.865 4.865 4.665 0.200 18681 53 1 1 . 1 1 14 14 PHE CA C 14 52.224 52.224 56.270 -4.046 18681 54 1 1 . 1 1 14 14 PHE CB C 14 36.841 36.841 37.935 -1.094 18681 55 1 1 . 1 1 14 14 PHE H H 14 7.970 7.970 7.485 0.485 18681 56 1 1 . 1 1 15 15 LYS N N 15 120.886 120.886 121.417 -0.531 18681 57 1 1 . 1 1 15 15 LYS HA H 15 3.852 3.852 3.991 -0.139 18681 58 1 1 . 1 1 15 15 LYS CA C 15 60.248 60.248 59.536 0.712 18681 59 1 1 . 1 1 15 15 LYS CB C 15 32.137 32.137 32.145 -0.008 18681 60 1 1 . 1 1 15 15 LYS H H 15 7.358 7.358 7.521 -0.163 18681 61 1 1 . 1 1 16 16 SER N N 16 111.755 111.755 113.415 -1.660 18681 62 1 1 . 1 1 16 16 SER HA H 16 4.321 4.321 4.324 -0.003 18681 63 1 1 . 1 1 16 16 SER CA C 16 61.099 61.099 60.620 0.478 18681 64 1 1 . 1 1 16 16 SER CB C 16 62.700 62.700 63.133 -0.433 18681 65 1 1 . 1 1 16 16 SER H H 16 8.733 8.733 8.315 0.418 18681 66 1 1 . 1 1 17 17 ILE N N 17 113.676 113.676 113.271 0.405 18681 67 1 1 . 1 1 17 17 ILE HA H 17 6.002 6.002 4.961 1.041 18681 68 1 1 . 1 1 17 17 ILE CA C 17 60.675 60.675 61.069 -0.394 18681 69 1 1 . 1 1 17 17 ILE CB C 17 37.907 37.907 37.582 0.325 18681 70 1 1 . 1 1 17 17 ILE H H 17 7.692 7.692 7.272 0.420 18681 71 1 1 . 1 1 18 18 GLN N N 18 122.213 122.213 122.723 -0.510 18681 72 1 1 . 1 1 18 18 GLN HA H 18 3.875 3.875 3.993 -0.118 18681 73 1 1 . 1 1 18 18 GLN CA C 18 59.886 59.886 59.748 0.138 18681 74 1 1 . 1 1 18 18 GLN CB C 18 29.027 29.027 28.349 0.678 18681 75 1 1 . 1 1 18 18 GLN H H 18 7.810 7.810 7.672 0.138 18681 76 1 1 . 1 1 19 19 HIS N N 19 118.333 118.333 117.882 0.451 18681 77 1 1 . 1 1 19 19 HIS HA H 19 4.547 4.547 4.374 0.173 18681 78 1 1 . 1 1 19 19 HIS CA C 19 58.358 58.358 59.773 -1.415 18681 79 1 1 . 1 1 19 19 HIS CB C 19 30.164 30.164 29.780 0.384 18681 80 1 1 . 1 1 19 19 HIS H H 19 9.436 9.436 8.778 0.658 18681 81 1 1 . 1 1 20 20 HIS N N 20 124.401 124.401 119.137 5.264 18681 82 1 1 . 1 1 20 20 HIS HA H 20 3.958 3.958 4.425 -0.467 18681 83 1 1 . 1 1 20 20 HIS CA C 20 62.329 62.329 60.788 1.541 18681 84 1 1 . 1 1 20 20 HIS CB C 20 30.170 30.170 29.991 0.179 18681 85 1 1 . 1 1 20 20 HIS H H 20 8.456 8.456 7.731 0.725 18681 86 1 1 . 1 1 21 21 LEU N N 21 118.826 118.826 118.004 0.822 18681 87 1 1 . 1 1 21 21 LEU HA H 21 4.096 4.096 4.178 -0.082 18681 88 1 1 . 1 1 21 21 LEU CA C 21 57.730 57.730 58.718 -0.988 18681 89 1 1 . 1 1 21 21 LEU CB C 21 41.415 41.415 41.018 0.397 18681 90 1 1 . 1 1 21 21 LEU H H 21 8.028 8.028 8.120 -0.092 18681 91 1 1 . 1 1 22 22 ARG N N 22 121.674 121.674 119.853 1.821 18681 92 1 1 . 1 1 22 22 ARG HA H 22 4.227 4.227 3.996 0.231 18681 93 1 1 . 1 1 22 22 ARG CA C 22 59.535 59.535 59.772 -0.237 18681 94 1 1 . 1 1 22 22 ARG CB C 22 29.809 29.809 30.079 -0.270 18681 95 1 1 . 1 1 22 22 ARG H H 22 8.103 8.103 8.372 -0.269 18681 96 1 1 . 1 1 23 23 THR N N 23 116.419 116.419 115.826 0.593 18681 97 1 1 . 1 1 23 23 THR HA H 23 4.113 4.113 4.044 0.069 18681 98 1 1 . 1 1 23 23 THR CA C 23 67.072 67.072 66.021 1.051 18681 99 1 1 . 1 1 23 23 THR CB C 23 68.245 68.245 68.364 -0.119 18681 100 1 1 . 1 1 23 23 THR H H 23 8.208 8.208 7.768 0.440 18681 101 1 1 . 1 1 24 24 ALA N N 24 125.741 125.741 125.475 0.266 18681 102 1 1 . 1 1 24 24 ALA HA H 24 3.928 3.928 4.037 -0.109 18681 103 1 1 . 1 1 24 24 ALA CA C 24 56.675 56.675 55.381 1.294 18681 104 1 1 . 1 1 24 24 ALA CB C 24 19.011 19.011 18.137 0.874 18681 105 1 1 . 1 1 24 24 ALA H H 24 8.149 8.149 8.074 0.075 18681 106 1 1 . 1 1 25 25 GLN N N 25 115.916 115.916 117.011 -1.095 18681 107 1 1 . 1 1 25 25 GLN HA H 25 4.375 4.375 4.288 0.087 18681 108 1 1 . 1 1 25 25 GLN CA C 25 58.060 58.060 58.491 -0.431 18681 109 1 1 . 1 1 25 25 GLN CB C 25 28.423 28.423 28.307 0.116 18681 110 1 1 . 1 1 25 25 GLN H H 25 7.785 7.785 8.176 -0.391 18681 111 1 1 . 1 1 26 26 GLU N N 26 117.821 117.821 118.706 -0.885 18681 112 1 1 . 1 1 26 26 GLU HA H 26 4.089 4.089 4.147 -0.058 18681 113 1 1 . 1 1 26 26 GLU CA C 26 58.165 58.165 58.631 -0.466 18681 114 1 1 . 1 1 26 26 GLU CB C 26 29.323 29.323 29.682 -0.359 18681 115 1 1 . 1 1 26 26 GLU H H 26 8.457 8.457 7.653 0.804 18681 116 1 1 . 1 1 27 27 HIS N N 27 115.762 115.762 119.501 -3.739 18681 117 1 1 . 1 1 27 27 HIS HA H 27 4.380 4.380 4.321 0.059 18681 118 1 1 . 1 1 27 27 HIS CA C 27 59.076 59.076 60.165 -1.089 18681 119 1 1 . 1 1 27 27 HIS CB C 27 29.049 29.049 29.523 -0.475 18681 120 1 1 . 1 1 27 27 HIS H H 27 7.962 7.962 8.616 -0.654 18681 121 1 1 . 1 1 28 28 ASP N N 28 123.640 123.640 118.620 5.020 18681 122 1 1 . 1 1 28 28 ASP HA H 28 4.332 4.332 4.425 -0.093 18681 123 1 1 . 1 1 28 28 ASP CA C 28 58.935 58.935 56.928 2.006 18681 124 1 1 . 1 1 28 28 ASP CB C 28 40.355 40.355 40.446 -0.091 18681 125 1 1 . 1 1 28 28 ASP H H 28 7.593 7.593 8.449 -0.856 18681 126 1 1 . 1 1 29 29 LYS N N 29 113.398 113.398 116.457 -3.059 18681 127 1 1 . 1 1 29 29 LYS HA H 29 4.395 4.395 4.221 0.174 18681 128 1 1 . 1 1 29 29 LYS CA C 29 56.654 56.654 57.828 -1.174 18681 129 1 1 . 1 1 29 29 LYS CB C 29 32.708 32.708 32.969 -0.261 18681 130 1 1 . 1 1 29 29 LYS H H 29 8.013 8.013 7.648 0.365 18681 131 1 1 . 1 1 30 30 ARG N N 30 117.542 117.542 118.694 -1.152 18681 132 1 1 . 1 1 30 30 ARG HA H 30 4.244 4.244 4.343 -0.099 18681 133 1 1 . 1 1 30 30 ARG CA C 30 57.994 57.994 57.797 0.197 18681 134 1 1 . 1 1 30 30 ARG CB C 30 32.658 32.658 32.167 0.491 18681 135 1 1 . 1 1 30 30 ARG H H 30 7.873 7.873 8.000 -0.127 18681 136 1 1 . 1 1 31 31 ASP N N 31 112.265 112.265 117.027 -4.762 18681 137 1 1 . 1 1 31 31 ASP HA H 31 4.866 4.866 5.152 -0.286 18681 138 1 1 . 1 1 31 31 ASP CA C 31 52.200 52.200 52.427 -0.227 18681 139 1 1 . 1 1 31 31 ASP CB C 31 40.932 40.932 44.742 -3.810 18681 140 1 1 . 1 1 31 31 ASP H H 31 8.808 8.808 8.577 0.231 18681 141 1 1 . 1 1 32 32 PRO HA H 32 4.411 4.411 4.511 -0.100 18681 142 1 1 . 1 1 32 32 PRO CA C 32 63.963 63.963 64.928 -0.965 18681 143 1 1 . 1 1 32 32 PRO CB C 32 32.908 32.908 32.682 0.226 18681 144 1 1 . 1 1 33 33 VAL N N 33 117.414 117.414 120.362 -2.948 18681 145 1 1 . 1 1 33 33 VAL HA H 33 3.480 3.480 3.808 -0.328 18681 146 1 1 . 1 1 33 33 VAL CA C 33 66.518 66.518 65.921 0.597 18681 147 1 1 . 1 1 33 33 VAL CB C 33 31.120 31.120 31.326 -0.206 18681 148 1 1 . 1 1 33 33 VAL H H 33 7.656 7.656 8.073 -0.417 18681 149 1 1 . 1 1 34 34 VAL N N 34 120.456 120.456 119.529 0.927 18681 150 1 1 . 1 1 34 34 VAL HA H 34 3.561 3.561 3.765 -0.204 18681 151 1 1 . 1 1 34 34 VAL CA C 34 66.828 66.828 66.984 -0.156 18681 152 1 1 . 1 1 34 34 VAL CB C 34 32.442 32.442 30.820 1.621 18681 153 1 1 . 1 1 34 34 VAL H H 34 7.234 7.234 8.081 -0.847 18681 154 1 1 . 1 1 35 35 ALA N N 35 121.869 121.869 123.021 -1.152 18681 155 1 1 . 1 1 35 35 ALA HA H 35 3.909 3.909 3.972 -0.063 18681 156 1 1 . 1 1 35 35 ALA CA C 35 56.024 56.024 55.404 0.620 18681 157 1 1 . 1 1 35 35 ALA CB C 35 19.264 19.264 18.302 0.962 18681 158 1 1 . 1 1 35 35 ALA H H 35 8.096 8.096 7.636 0.460 18681 159 1 1 . 1 1 36 36 TYR N N 36 117.995 117.995 120.673 -2.678 18681 160 1 1 . 1 1 36 36 TYR HA H 36 3.826 3.826 3.938 -0.112 18681 161 1 1 . 1 1 36 36 TYR CA C 36 62.044 62.044 62.619 -0.575 18681 162 1 1 . 1 1 36 36 TYR CB C 36 38.136 38.136 38.377 -0.241 18681 163 1 1 . 1 1 36 36 TYR H H 36 8.271 8.271 8.182 0.089 18681 164 1 1 . 1 1 37 37 TYR N N 37 116.773 116.773 116.721 0.052 18681 165 1 1 . 1 1 37 37 TYR HA H 37 4.046 4.046 4.182 -0.136 18681 166 1 1 . 1 1 37 37 TYR CA C 37 63.831 63.831 62.653 1.178 18681 167 1 1 . 1 1 37 37 TYR CB C 37 37.749 37.749 38.112 -0.363 18681 168 1 1 . 1 1 37 37 TYR H H 37 8.213 8.213 8.024 0.189 18681 169 1 1 . 1 1 38 38 CYS N N 38 116.194 116.194 119.478 -3.284 18681 170 1 1 . 1 1 38 38 CYS HA H 38 4.370 4.370 4.073 0.297 18681 171 1 1 . 1 1 38 38 CYS CA C 38 64.389 64.389 62.398 1.991 18681 172 1 1 . 1 1 38 38 CYS CB C 38 27.945 27.945 26.821 1.124 18681 173 1 1 . 1 1 38 38 CYS H H 38 8.695 8.695 8.659 0.036 18681 174 1 1 . 1 1 39 39 ARG N N 39 117.023 117.023 118.964 -1.941 18681 175 1 1 . 1 1 39 39 ARG HA H 39 3.804 3.804 3.948 -0.144 18681 176 1 1 . 1 1 39 39 ARG CA C 39 60.198 60.198 59.524 0.674 18681 177 1 1 . 1 1 39 39 ARG H H 39 7.005 7.005 8.532 -1.527 18681 178 1 1 . 1 1 40 40 LEU N N 40 123.317 123.317 121.050 2.267 18681 179 1 1 . 1 1 40 40 LEU HA H 40 3.813 3.813 3.845 -0.032 18681 180 1 1 . 1 1 40 40 LEU CA C 40 58.181 58.181 57.865 0.316 18681 181 1 1 . 1 1 40 40 LEU CB C 40 42.085 42.085 41.377 0.708 18681 182 1 1 . 1 1 40 40 LEU H H 40 8.326 8.326 7.559 0.767 18681 183 1 1 . 1 1 41 41 TYR N N 41 118.320 118.320 119.899 -1.579 18681 184 1 1 . 1 1 41 41 TYR HA H 41 3.732 3.732 3.951 -0.219 18681 185 1 1 . 1 1 41 41 TYR CA C 41 61.418 61.418 61.549 -0.131 18681 186 1 1 . 1 1 41 41 TYR CB C 41 38.953 38.953 38.167 0.786 18681 187 1 1 . 1 1 41 41 TYR H H 41 8.533 8.533 7.790 0.743 18681 188 1 1 . 1 1 42 42 ALA N N 42 123.644 123.644 121.725 1.919 18681 189 1 1 . 1 1 42 42 ALA HA H 42 3.482 3.482 3.666 -0.184 18681 190 1 1 . 1 1 42 42 ALA CA C 42 55.157 55.157 54.938 0.219 18681 191 1 1 . 1 1 42 42 ALA CB C 42 18.413 18.413 18.371 0.042 18681 192 1 1 . 1 1 42 42 ALA H H 42 7.962 7.962 7.841 0.121 18681 193 1 1 . 1 1 43 43 MET N N 43 117.932 117.932 118.046 -0.114 18681 194 1 1 . 1 1 43 43 MET HA H 43 3.696 3.696 3.830 -0.134 18681 195 1 1 . 1 1 43 43 MET CA C 43 58.675 58.675 59.825 -1.150 18681 196 1 1 . 1 1 43 43 MET H H 43 8.433 8.433 8.052 0.381 18681 197 1 1 . 1 1 44 44 GLN N N 44 116.738 116.738 118.721 -1.983 18681 198 1 1 . 1 1 44 44 GLN HA H 44 3.773 3.773 3.919 -0.146 18681 199 1 1 . 1 1 44 44 GLN CA C 44 58.924 58.924 59.043 -0.119 18681 200 1 1 . 1 1 44 44 GLN CB C 44 27.921 27.921 28.572 -0.651 18681 201 1 1 . 1 1 44 44 GLN H H 44 8.307 8.307 7.754 0.553 18681 202 1 1 . 1 1 45 45 THR N N 45 116.249 116.249 115.067 1.182 18681 203 1 1 . 1 1 45 45 THR HA H 45 3.479 3.479 3.895 -0.416 18681 204 1 1 . 1 1 45 45 THR CA C 45 66.529 66.529 66.505 0.024 18681 205 1 1 . 1 1 45 45 THR CB C 45 67.635 67.635 68.081 -0.446 18681 206 1 1 . 1 1 45 45 THR H H 45 7.954 7.954 7.491 0.463 18681 207 1 1 . 1 1 46 46 GLY N N 46 110.016 110.016 110.150 -0.134 18681 208 1 1 . 1 1 46 46 GLY CA C 46 46.653 46.653 47.228 -0.575 18681 209 1 1 . 1 1 46 46 GLY H H 46 8.429 8.429 8.095 0.334 18681 210 1 1 . 1 1 47 47 MET N N 47 118.040 118.040 120.004 -1.964 18681 211 1 1 . 1 1 47 47 MET HA H 47 3.876 3.876 4.445 -0.569 18681 212 1 1 . 1 1 47 47 MET CA C 47 58.136 58.136 58.303 -0.167 18681 213 1 1 . 1 1 47 47 MET CB C 47 32.445 32.445 32.199 0.246 18681 214 1 1 . 1 1 47 47 MET H H 47 8.160 8.160 8.242 -0.082 18681 215 1 1 . 1 1 48 48 LYS N N 48 116.712 116.712 118.913 -2.201 18681 216 1 1 . 1 1 48 48 LYS HA H 48 4.012 4.012 4.036 -0.024 18681 217 1 1 . 1 1 48 48 LYS CA C 48 57.945 57.945 58.965 -1.020 18681 218 1 1 . 1 1 48 48 LYS CB C 48 32.533 32.533 32.345 0.188 18681 219 1 1 . 1 1 48 48 LYS H H 48 6.958 6.958 7.608 -0.650 18681 220 1 1 . 1 1 49 49 ILE N N 49 120.903 120.903 117.665 3.238 18681 221 1 1 . 1 1 49 49 ILE HA H 49 3.718 3.718 3.828 -0.110 18681 222 1 1 . 1 1 49 49 ILE CA C 49 64.863 64.863 63.557 1.306 18681 223 1 1 . 1 1 49 49 ILE CB C 49 39.087 39.087 38.867 0.220 18681 224 1 1 . 1 1 49 49 ILE H H 49 7.609 7.609 7.723 -0.114 18681 225 1 1 . 1 1 50 50 ASP N N 50 115.959 115.959 117.548 -1.589 18681 226 1 1 . 1 1 50 50 ASP HA H 50 4.488 4.488 4.884 -0.396 18681 227 1 1 . 1 1 50 50 ASP CA C 50 55.393 55.393 52.849 2.544 18681 228 1 1 . 1 1 50 50 ASP CB C 50 40.952 40.952 40.542 0.410 18681 229 1 1 . 1 1 50 50 ASP H H 50 8.214 8.214 8.195 0.019 18681 230 1 1 . 1 1 51 51 SER N N 51 115.917 115.917 118.989 -3.072 18681 231 1 1 . 1 1 51 51 SER HA H 51 4.566 4.566 4.222 0.344 18681 232 1 1 . 1 1 51 51 SER CA C 51 56.544 56.544 61.218 -4.674 18681 233 1 1 . 1 1 51 51 SER CB C 51 64.126 64.126 63.577 0.549 18681 234 1 1 . 1 1 51 51 SER H H 51 8.438 8.438 8.668 -0.230 18681 235 1 1 . 1 1 52 52 LYS N N 52 122.213 122.213 120.415 1.798 18681 236 1 1 . 1 1 52 52 LYS HA H 52 4.438 4.438 4.456 -0.018 18681 237 1 1 . 1 1 52 52 LYS CB C 52 35.344 35.344 33.351 1.993 18681 238 1 1 . 1 1 52 52 LYS H H 52 8.937 8.937 8.076 0.861 18681 239 1 1 . 1 1 53 53 THR N N 53 122.291 122.291 120.675 1.616 18681 240 1 1 . 1 1 53 53 THR HA H 53 4.273 4.273 4.800 -0.527 18681 241 1 1 . 1 1 53 53 THR CA C 53 61.837 61.837 59.255 2.582 18681 242 1 1 . 1 1 53 53 THR CB C 53 68.067 68.067 69.002 -0.935 18681 243 1 1 . 1 1 53 53 THR H H 53 9.437 9.437 8.282 1.155 18681 244 1 1 . 1 1 54 54 PRO HA H 54 4.050 4.050 4.178 -0.128 18681 245 1 1 . 1 1 54 54 PRO CA C 54 66.870 66.870 65.636 1.234 18681 246 1 1 . 1 1 54 54 PRO CB C 54 31.670 31.670 31.987 -0.317 18681 247 1 1 . 1 1 55 55 GLU N N 55 116.532 116.532 117.766 -1.234 18681 248 1 1 . 1 1 55 55 GLU HA H 55 4.024 4.024 4.325 -0.301 18681 249 1 1 . 1 1 55 55 GLU CA C 55 59.870 59.870 58.702 1.168 18681 250 1 1 . 1 1 55 55 GLU CB C 55 28.759 28.759 29.709 -0.950 18681 251 1 1 . 1 1 55 55 GLU H H 55 9.352 9.352 8.616 0.736 18681 252 1 1 . 1 1 56 56 CYS N N 56 119.066 119.066 118.928 0.138 18681 253 1 1 . 1 1 56 56 CYS HA H 56 3.759 3.759 4.286 -0.527 18681 254 1 1 . 1 1 56 56 CYS CA C 56 63.167 63.167 62.439 0.728 18681 255 1 1 . 1 1 56 56 CYS CB C 56 26.891 26.891 27.509 -0.618 18681 256 1 1 . 1 1 56 56 CYS H H 56 7.126 7.126 8.293 -1.167 18681 257 1 1 . 1 1 57 57 ARG N N 57 119.779 119.779 120.988 -1.209 18681 258 1 1 . 1 1 57 57 ARG HA H 57 3.876 3.876 3.894 -0.018 18681 259 1 1 . 1 1 57 57 ARG CA C 57 60.025 60.025 60.130 -0.105 18681 260 1 1 . 1 1 57 57 ARG H H 57 8.252 8.252 9.069 -0.817 18681 261 1 1 . 1 1 58 58 LYS N N 58 119.155 119.155 118.226 0.929 18681 262 1 1 . 1 1 58 58 LYS HA H 58 4.056 4.056 4.077 -0.021 18681 263 1 1 . 1 1 58 58 LYS CA C 58 59.205 59.205 59.360 -0.155 18681 264 1 1 . 1 1 58 58 LYS CB C 58 32.127 32.127 32.016 0.111 18681 265 1 1 . 1 1 58 58 LYS H H 58 8.394 8.394 7.731 0.663 18681 266 1 1 . 1 1 59 59 PHE N N 59 119.989 119.989 120.893 -0.904 18681 267 1 1 . 1 1 59 59 PHE HA H 59 3.748 3.748 4.175 -0.427 18681 268 1 1 . 1 1 59 59 PHE CA C 59 63.103 63.103 61.579 1.524 18681 269 1 1 . 1 1 59 59 PHE CB C 59 39.644 39.644 38.917 0.727 18681 270 1 1 . 1 1 59 59 PHE H H 59 7.720 7.720 7.955 -0.235 18681 271 1 1 . 1 1 60 60 LEU N N 60 117.203 117.203 119.932 -2.729 18681 272 1 1 . 1 1 60 60 LEU HA H 60 3.991 3.991 3.729 0.262 18681 273 1 1 . 1 1 60 60 LEU CA C 60 57.969 57.969 58.111 -0.142 18681 274 1 1 . 1 1 60 60 LEU CB C 60 41.187 41.187 41.763 -0.576 18681 275 1 1 . 1 1 60 60 LEU H H 60 8.685 8.685 8.735 -0.050 18681 276 1 1 . 1 1 61 61 SER N N 61 114.724 114.724 114.781 -0.057 18681 277 1 1 . 1 1 61 61 SER HA H 61 4.188 4.188 3.971 0.217 18681 278 1 1 . 1 1 61 61 SER CA C 61 61.650 61.650 61.766 -0.116 18681 279 1 1 . 1 1 61 61 SER CB C 61 62.589 62.589 62.770 -0.181 18681 280 1 1 . 1 1 61 61 SER H H 61 8.107 8.107 8.576 -0.469 18681 281 1 1 . 1 1 62 62 LYS N N 62 120.164 120.164 122.144 -1.980 18681 282 1 1 . 1 1 62 62 LYS HA H 62 4.147 4.147 3.988 0.159 18681 283 1 1 . 1 1 62 62 LYS CA C 62 57.139 57.139 58.445 -1.306 18681 284 1 1 . 1 1 62 62 LYS CB C 62 30.881 30.881 32.031 -1.150 18681 285 1 1 . 1 1 62 62 LYS H H 62 7.541 7.541 7.603 -0.062 18681 286 1 1 . 1 1 63 63 LEU N N 63 123.446 123.446 122.216 1.230 18681 287 1 1 . 1 1 63 63 LEU HA H 63 3.926 3.926 3.890 0.036 18681 288 1 1 . 1 1 63 63 LEU CA C 63 57.709 57.709 57.359 0.350 18681 289 1 1 . 1 1 63 63 LEU CB C 63 41.222 41.222 41.400 -0.178 18681 290 1 1 . 1 1 63 63 LEU H H 63 8.238 8.238 8.128 0.110 18681 291 1 1 . 1 1 64 64 MET N N 64 120.864 120.864 117.846 3.018 18681 292 1 1 . 1 1 64 64 MET HA H 64 4.143 4.143 4.065 0.078 18681 293 1 1 . 1 1 64 64 MET CA C 64 58.644 58.644 57.529 1.115 18681 294 1 1 . 1 1 64 64 MET CB C 64 31.625 31.625 31.480 0.145 18681 295 1 1 . 1 1 64 64 MET H H 64 8.608 8.608 8.376 0.232 18681 296 1 1 . 1 1 65 65 ASP N N 65 119.121 119.121 120.463 -1.342 18681 297 1 1 . 1 1 65 65 ASP HA H 65 4.373 4.373 4.323 0.050 18681 298 1 1 . 1 1 65 65 ASP CA C 65 57.390 57.390 57.395 -0.005 18681 299 1 1 . 1 1 65 65 ASP CB C 65 39.956 39.956 40.929 -0.973 18681 300 1 1 . 1 1 65 65 ASP H H 65 7.857 7.857 7.772 0.085 18681 301 1 1 . 1 1 66 66 GLN N N 66 119.748 119.748 119.550 0.198 18681 302 1 1 . 1 1 66 66 GLN HA H 66 4.084 4.084 3.919 0.165 18681 303 1 1 . 1 1 66 66 GLN CB C 66 28.222 28.222 28.627 -0.405 18681 304 1 1 . 1 1 66 66 GLN H H 66 7.703 7.703 7.875 -0.172 18681 305 1 1 . 1 1 67 67 LEU N N 67 120.349 120.349 120.365 -0.016 18681 306 1 1 . 1 1 67 67 LEU HA H 67 3.890 3.890 3.856 0.034 18681 307 1 1 . 1 1 67 67 LEU CA C 67 58.914 58.914 58.157 0.757 18681 308 1 1 . 1 1 67 67 LEU H H 67 8.356 8.356 7.756 0.600 18681 309 1 1 . 1 1 68 68 GLU N N 68 118.268 118.268 119.484 -1.216 18681 310 1 1 . 1 1 68 68 GLU HA H 68 4.018 4.018 3.917 0.101 18681 311 1 1 . 1 1 68 68 GLU CA C 68 59.174 59.174 59.592 -0.418 18681 312 1 1 . 1 1 68 68 GLU CB C 68 29.419 29.419 29.659 -0.240 18681 313 1 1 . 1 1 68 68 GLU H H 68 8.547 8.547 7.758 0.789 18681 314 1 1 . 1 1 69 69 ALA N N 69 122.349 122.349 122.506 -0.157 18681 315 1 1 . 1 1 69 69 ALA HA H 69 4.126 4.126 4.073 0.053 18681 316 1 1 . 1 1 69 69 ALA CA C 69 54.937 54.937 55.199 -0.262 18681 317 1 1 . 1 1 69 69 ALA CB C 69 18.147 18.147 18.261 -0.114 18681 318 1 1 . 1 1 69 69 ALA H H 69 7.853 7.853 8.397 -0.544 18681 319 1 1 . 1 1 70 70 LEU N N 70 120.257 120.257 119.065 1.192 18681 320 1 1 . 1 1 70 70 LEU HA H 70 4.016 4.016 3.879 0.137 18681 321 1 1 . 1 1 70 70 LEU CA C 70 57.750 57.750 57.902 -0.152 18681 322 1 1 . 1 1 70 70 LEU CB C 70 42.623 42.623 41.623 1.000 18681 323 1 1 . 1 1 70 70 LEU H H 70 8.553 8.553 7.909 0.644 18681 324 1 1 . 1 1 71 71 LYS HA H 71 3.431 3.431 3.806 -0.375 18681 325 1 1 . 1 1 71 71 LYS CB C 71 32.132 32.132 32.332 -0.200 18681 326 1 1 . 1 1 71 71 LYS H H 71 8.636 8.636 7.905 0.731 18681 327 1 1 . 1 1 72 72 LYS N N 72 117.417 117.417 117.640 -0.223 18681 328 1 1 . 1 1 72 72 LYS HA H 72 4.007 4.007 4.020 -0.013 18681 329 1 1 . 1 1 72 72 LYS CA C 72 58.936 58.936 58.751 0.185 18681 330 1 1 . 1 1 72 72 LYS H H 72 7.620 7.620 7.683 -0.063 18681 331 1 1 . 1 1 73 73 GLN N N 73 119.180 119.180 118.461 0.719 18681 332 1 1 . 1 1 73 73 GLN HA H 73 4.027 4.027 4.069 -0.042 18681 333 1 1 . 1 1 73 73 GLN CA C 73 58.084 58.084 58.320 -0.236 18681 334 1 1 . 1 1 73 73 GLN CB C 73 29.044 29.044 28.569 0.475 18681 335 1 1 . 1 1 73 73 GLN H H 73 7.798 7.798 7.897 -0.099 18681 336 1 1 . 1 1 74 74 LEU N N 74 118.230 118.230 116.521 1.709 18681 337 1 1 . 1 1 74 74 LEU HA H 74 4.258 4.258 4.225 0.033 18681 338 1 1 . 1 1 74 74 LEU CA C 74 55.050 55.050 55.757 -0.707 18681 339 1 1 . 1 1 74 74 LEU CB C 74 42.380 42.380 42.864 -0.484 18681 340 1 1 . 1 1 74 74 LEU H H 74 8.050 8.050 7.708 0.342 18681 341 1 1 . 1 1 75 75 GLY N N 75 106.441 106.441 107.120 -0.679 18681 342 1 1 . 1 1 75 75 GLY CA C 75 47.098 47.098 45.621 1.477 18681 343 1 1 . 1 1 75 75 GLY H H 75 7.420 7.420 8.179 -0.759 18681 344 1 1 . 1 1 76 76 ASP N N 76 121.520 121.520 126.611 -5.091 18681 345 1 1 . 1 1 76 76 ASP HA H 76 4.533 4.533 4.748 -0.215 18681 346 1 1 . 1 1 76 76 ASP CA C 76 53.148 53.148 53.078 0.070 18681 347 1 1 . 1 1 76 76 ASP CB C 76 39.714 39.714 40.076 -0.362 18681 348 1 1 . 1 1 76 76 ASP H H 76 8.332 8.332 8.277 0.055 18681 349 1 1 . 1 1 77 77 ASN N N 77 121.250 121.250 122.953 -1.703 18681 350 1 1 . 1 1 77 77 ASN HA H 77 4.489 4.489 4.886 -0.397 18681 351 1 1 . 1 1 77 77 ASN CA C 77 54.063 54.063 52.252 1.811 18681 352 1 1 . 1 1 77 77 ASN CB C 77 40.058 40.058 41.211 -1.153 18681 353 1 1 . 1 1 77 77 ASN H H 77 7.725 7.725 7.847 -0.122 18681 354 1 1 . 1 1 78 78 GLU N N 78 129.390 129.390 126.515 2.875 18681 355 1 1 . 1 1 78 78 GLU HA H 78 4.225 4.225 4.096 0.129 18681 356 1 1 . 1 1 78 78 GLU CA C 78 58.888 58.888 59.964 -1.076 18681 357 1 1 . 1 1 78 78 GLU CB C 78 29.698 29.698 29.913 -0.215 18681 358 1 1 . 1 1 78 78 GLU H H 78 9.282 9.282 9.054 0.228 18681 359 1 1 . 1 1 79 79 ALA N N 79 116.576 116.576 121.915 -5.339 18681 360 1 1 . 1 1 79 79 ALA HA H 79 4.079 4.079 4.148 -0.069 18681 361 1 1 . 1 1 79 79 ALA CA C 79 53.222 53.222 55.466 -2.244 18681 362 1 1 . 1 1 79 79 ALA CB C 79 19.347 19.347 18.633 0.714 18681 363 1 1 . 1 1 79 79 ALA H H 79 8.285 8.285 8.674 -0.389 18681 364 1 1 . 1 1 80 80 ILE N N 80 116.410 116.410 116.556 -0.146 18681 365 1 1 . 1 1 80 80 ILE HA H 80 4.043 4.043 3.622 0.421 18681 366 1 1 . 1 1 80 80 ILE CA C 80 59.695 59.695 62.863 -3.168 18681 367 1 1 . 1 1 80 80 ILE CB C 80 36.642 36.642 37.159 -0.517 18681 368 1 1 . 1 1 80 80 ILE H H 80 7.857 7.857 7.419 0.438 18681 369 1 1 . 1 1 81 81 THR N N 81 110.649 110.649 112.844 -2.195 18681 370 1 1 . 1 1 81 81 THR HA H 81 4.079 4.079 4.076 0.003 18681 371 1 1 . 1 1 81 81 THR CA C 81 63.509 63.509 64.341 -0.832 18681 372 1 1 . 1 1 81 81 THR CB C 81 68.764 68.764 69.278 -0.515 18681 373 1 1 . 1 1 81 81 THR H H 81 7.869 7.869 8.162 -0.293 18681 374 1 1 . 1 1 82 82 GLN N N 82 120.522 120.522 122.287 -1.765 18681 375 1 1 . 1 1 82 82 GLN HA H 82 4.743 4.743 4.573 0.170 18681 376 1 1 . 1 1 82 82 GLN CB C 82 29.184 29.184 29.559 -0.375 18681 377 1 1 . 1 1 82 82 GLN H H 82 8.016 8.016 8.251 -0.235 18681 378 1 1 . 1 1 83 83 GLU N N 83 126.907 126.907 124.256 2.651 18681 379 1 1 . 1 1 83 83 GLU HA H 83 4.011 4.011 4.264 -0.253 18681 380 1 1 . 1 1 83 83 GLU CA C 83 60.736 60.736 59.336 1.400 18681 381 1 1 . 1 1 83 83 GLU CB C 83 29.353 29.353 29.614 -0.261 18681 382 1 1 . 1 1 83 83 GLU H H 83 9.146 9.146 8.898 0.248 18681 383 1 1 . 1 1 84 84 ILE N N 84 115.693 115.693 116.756 -1.063 18681 384 1 1 . 1 1 84 84 ILE HA H 84 3.764 3.764 3.663 0.101 18681 385 1 1 . 1 1 84 84 ILE CA C 84 63.908 63.908 64.306 -0.398 18681 386 1 1 . 1 1 84 84 ILE CB C 84 37.762 37.762 36.962 0.800 18681 387 1 1 . 1 1 84 84 ILE H H 84 8.460 8.460 7.678 0.782 18681 388 1 1 . 1 1 85 85 VAL N N 85 123.415 123.415 120.840 2.575 18681 389 1 1 . 1 1 85 85 VAL HA H 85 3.714 3.714 3.693 0.021 18681 390 1 1 . 1 1 85 85 VAL CA C 85 65.226 65.226 66.260 -1.034 18681 391 1 1 . 1 1 85 85 VAL CB C 85 31.142 31.142 31.003 0.139 18681 392 1 1 . 1 1 85 85 VAL H H 85 7.034 7.034 7.761 -0.727 18681 393 1 1 . 1 1 86 86 GLY N N 86 110.422 110.422 106.969 3.453 18681 394 1 1 . 1 1 86 86 GLY CA C 86 49.167 49.167 47.366 1.801 18681 395 1 1 . 1 1 86 86 GLY H H 86 8.139 8.139 7.864 0.275 18681 396 1 1 . 1 1 87 87 CYS N N 87 121.087 121.087 121.771 -0.684 18681 397 1 1 . 1 1 87 87 CYS HA H 87 2.923 2.923 3.971 -1.048 18681 398 1 1 . 1 1 87 87 CYS CA C 87 62.064 62.064 64.249 -2.185 18681 399 1 1 . 1 1 87 87 CYS CB C 87 25.682 25.682 26.939 -1.257 18681 400 1 1 . 1 1 87 87 CYS H H 87 8.052 8.052 8.206 -0.154 18681 401 1 1 . 1 1 88 88 ALA N N 88 119.739 119.739 122.482 -2.743 18681 402 1 1 . 1 1 88 88 ALA HA H 88 4.109 4.109 4.021 0.088 18681 403 1 1 . 1 1 88 88 ALA CA C 88 54.895 54.895 54.783 0.112 18681 404 1 1 . 1 1 88 88 ALA CB C 88 17.680 17.680 18.118 -0.438 18681 405 1 1 . 1 1 88 88 ALA H H 88 7.230 7.230 8.053 -0.823 18681 406 1 1 . 1 1 89 89 HIS N N 89 118.056 118.056 119.125 -1.069 18681 407 1 1 . 1 1 89 89 HIS HA H 89 4.172 4.172 4.282 -0.110 18681 408 1 1 . 1 1 89 89 HIS CA C 89 59.587 59.587 59.844 -0.257 18681 409 1 1 . 1 1 89 89 HIS CB C 89 30.446 30.446 30.049 0.397 18681 410 1 1 . 1 1 89 89 HIS H H 89 8.190 8.190 7.832 0.358 18681 411 1 1 . 1 1 90 90 LEU N N 90 120.375 120.375 119.937 0.438 18681 412 1 1 . 1 1 90 90 LEU HA H 90 3.953 3.953 3.982 -0.029 18681 413 1 1 . 1 1 90 90 LEU CA C 90 57.959 57.959 58.471 -0.512 18681 414 1 1 . 1 1 90 90 LEU CB C 90 41.434 41.434 41.780 -0.346 18681 415 1 1 . 1 1 90 90 LEU H H 90 8.115 8.115 8.239 -0.124 18681 416 1 1 . 1 1 91 91 GLU N N 91 119.711 119.711 119.227 0.484 18681 417 1 1 . 1 1 91 91 GLU HA H 91 3.801 3.801 3.835 -0.034 18681 418 1 1 . 1 1 91 91 GLU CA C 91 60.130 60.130 59.767 0.363 18681 419 1 1 . 1 1 91 91 GLU CB C 91 29.870 29.870 29.349 0.521 18681 420 1 1 . 1 1 91 91 GLU H H 91 9.186 9.186 8.164 1.022 18681 421 1 1 . 1 1 92 92 ASN N N 92 116.626 116.626 117.881 -1.255 18681 422 1 1 . 1 1 92 92 ASN HA H 92 4.411 4.411 4.382 0.029 18681 423 1 1 . 1 1 92 92 ASN CA C 92 56.280 56.280 55.964 0.316 18681 424 1 1 . 1 1 92 92 ASN CB C 92 38.464 38.464 38.581 -0.117 18681 425 1 1 . 1 1 92 92 ASN H H 92 8.392 8.392 7.905 0.487 18681 426 1 1 . 1 1 93 93 TYR N N 93 121.123 121.123 120.298 0.825 18681 427 1 1 . 1 1 93 93 TYR HA H 93 4.465 4.465 4.046 0.419 18681 428 1 1 . 1 1 93 93 TYR CA C 93 59.339 59.339 61.085 -1.746 18681 429 1 1 . 1 1 93 93 TYR CB C 93 38.593 38.593 38.162 0.431 18681 430 1 1 . 1 1 93 93 TYR H H 93 7.742 7.742 7.756 -0.014 18681 431 1 1 . 1 1 94 94 ALA N N 94 120.589 120.589 121.489 -0.900 18681 432 1 1 . 1 1 94 94 ALA HA H 94 3.742 3.742 4.053 -0.311 18681 433 1 1 . 1 1 94 94 ALA CA C 94 55.340 55.340 55.306 0.034 18681 434 1 1 . 1 1 94 94 ALA CB C 94 17.779 17.779 18.468 -0.689 18681 435 1 1 . 1 1 94 94 ALA H H 94 8.811 8.811 8.073 0.738 18681 436 1 1 . 1 1 95 95 LEU HA H 95 4.132 4.132 4.105 0.027 18681 437 1 1 . 1 1 95 95 LEU CB C 95 40.964 40.964 40.965 -0.001 18681 438 1 1 . 1 1 95 95 LEU H H 95 8.345 8.345 7.920 0.425 18681 439 1 1 . 1 1 96 96 LYS N N 96 119.704 119.704 119.616 0.088 18681 440 1 1 . 1 1 96 96 LYS HA H 96 3.971 3.971 3.993 -0.022 18681 441 1 1 . 1 1 96 96 LYS CA C 96 59.877 59.877 59.924 -0.047 18681 442 1 1 . 1 1 96 96 LYS CB C 96 32.096 32.096 32.339 -0.243 18681 443 1 1 . 1 1 96 96 LYS H H 96 8.057 8.057 8.046 0.011 18681 444 1 1 . 1 1 97 97 MET N N 97 119.269 119.269 118.345 0.924 18681 445 1 1 . 1 1 97 97 MET HA H 97 4.146 4.146 4.213 -0.067 18681 446 1 1 . 1 1 97 97 MET CA C 97 59.020 59.020 59.090 -0.070 18681 447 1 1 . 1 1 97 97 MET CB C 97 32.949 32.949 32.794 0.155 18681 448 1 1 . 1 1 97 97 MET H H 97 7.791 7.791 7.829 -0.038 18681 449 1 1 . 1 1 98 98 PHE N N 98 120.493 120.493 121.221 -0.728 18681 450 1 1 . 1 1 98 98 PHE HA H 98 3.686 3.686 3.970 -0.284 18681 451 1 1 . 1 1 98 98 PHE CA C 98 62.257 62.257 61.992 0.265 18681 452 1 1 . 1 1 98 98 PHE CB C 98 39.929 39.929 39.255 0.673 18681 453 1 1 . 1 1 98 98 PHE H H 98 8.584 8.584 8.647 -0.063 18681 454 1 1 . 1 1 99 99 LEU N N 99 118.196 118.196 119.395 -1.199 18681 455 1 1 . 1 1 99 99 LEU HA H 99 3.923 3.923 4.082 -0.159 18681 456 1 1 . 1 1 99 99 LEU CA C 99 57.670 57.670 57.901 -0.232 18681 457 1 1 . 1 1 99 99 LEU CB C 99 41.371 41.371 40.761 0.610 18681 458 1 1 . 1 1 99 99 LEU H H 99 9.148 9.148 8.753 0.395 18681 459 1 1 . 1 1 100 100 TYR N N 100 119.695 119.695 120.701 -1.006 18681 460 1 1 . 1 1 100 100 TYR HA H 100 4.179 4.179 3.934 0.245 18681 461 1 1 . 1 1 100 100 TYR CA C 100 60.511 60.511 62.066 -1.556 18681 462 1 1 . 1 1 100 100 TYR CB C 100 37.397 37.397 37.915 -0.518 18681 463 1 1 . 1 1 100 100 TYR H H 100 7.699 7.699 8.238 -0.539 18681 464 1 1 . 1 1 101 101 ALA N N 101 123.078 123.078 120.769 2.309 18681 465 1 1 . 1 1 101 101 ALA HA H 101 2.916 2.916 3.695 -0.779 18681 466 1 1 . 1 1 101 101 ALA CA C 101 55.042 55.042 54.630 0.412 18681 467 1 1 . 1 1 101 101 ALA CB C 101 16.049 16.049 17.612 -1.563 18681 468 1 1 . 1 1 101 101 ALA H H 101 7.385 7.385 7.656 -0.271 18681 469 1 1 . 1 1 102 102 ASP N N 102 117.073 117.073 118.495 -1.422 18681 470 1 1 . 1 1 102 102 ASP HA H 102 4.287 4.287 4.361 -0.074 18681 471 1 1 . 1 1 102 102 ASP CA C 102 57.049 57.049 57.788 -0.738 18681 472 1 1 . 1 1 102 102 ASP CB C 102 42.898 42.898 40.562 2.336 18681 473 1 1 . 1 1 102 102 ASP H H 102 8.539 8.539 7.705 0.834 18681 474 1 1 . 1 1 103 103 ASN N N 103 116.630 116.630 118.650 -2.020 18681 475 1 1 . 1 1 103 103 ASN HA H 103 4.264 4.264 4.417 -0.153 18681 476 1 1 . 1 1 103 103 ASN CA C 103 56.386 56.386 55.949 0.437 18681 477 1 1 . 1 1 103 103 ASN CB C 103 38.332 38.332 38.118 0.214 18681 478 1 1 . 1 1 103 103 ASN H H 103 7.970 7.970 8.358 -0.388 18681 479 1 1 . 1 1 104 104 GLU N N 104 118.811 118.811 119.814 -1.003 18681 480 1 1 . 1 1 104 104 GLU HA H 104 3.619 3.619 3.843 -0.224 18681 481 1 1 . 1 1 104 104 GLU CA C 104 58.982 58.982 59.222 -0.240 18681 482 1 1 . 1 1 104 104 GLU H H 104 7.474 7.474 7.557 -0.083 18681 483 1 1 . 1 1 105 105 ASP N N 105 120.013 120.013 119.764 0.249 18681 484 1 1 . 1 1 105 105 ASP HA H 105 3.818 3.818 4.360 -0.542 18681 485 1 1 . 1 1 105 105 ASP CA C 105 57.508 57.508 57.193 0.315 18681 486 1 1 . 1 1 105 105 ASP CB C 105 43.738 43.738 40.984 2.754 18681 487 1 1 . 1 1 105 105 ASP H H 105 8.212 8.212 7.713 0.499 18681 488 1 1 . 1 1 106 106 ARG N N 106 116.747 116.747 119.456 -2.709 18681 489 1 1 . 1 1 106 106 ARG HA H 106 3.804 3.804 4.083 -0.279 18681 490 1 1 . 1 1 106 106 ARG CA C 106 59.150 59.150 58.336 0.815 18681 491 1 1 . 1 1 106 106 ARG CB C 106 30.083 30.083 30.178 -0.095 18681 492 1 1 . 1 1 106 106 ARG H H 106 8.532 8.532 7.932 0.600 18681 493 1 1 . 1 1 107 107 ALA N N 107 119.388 119.388 118.556 0.832 18681 494 1 1 . 1 1 107 107 ALA HA H 107 4.232 4.232 4.153 0.079 18681 495 1 1 . 1 1 107 107 ALA CA C 107 51.407 51.407 52.629 -1.222 18681 496 1 1 . 1 1 107 107 ALA CB C 107 18.572 18.572 18.880 -0.308 18681 497 1 1 . 1 1 107 107 ALA H H 107 7.302 7.302 7.414 -0.112 18681 498 1 1 . 1 1 108 108 GLY N N 108 108.840 108.840 106.308 2.532 18681 499 1 1 . 1 1 108 108 GLY CA C 108 45.735 45.735 44.740 0.995 18681 500 1 1 . 1 1 108 108 GLY H H 108 7.905 7.905 7.668 0.237 18681 501 1 1 . 1 1 109 109 ARG N N 109 121.140 121.140 119.538 1.602 18681 502 1 1 . 1 1 109 109 ARG HA H 109 4.126 4.126 4.220 -0.094 18681 503 1 1 . 1 1 109 109 ARG CA C 109 55.361 55.361 54.832 0.529 18681 504 1 1 . 1 1 109 109 ARG H H 109 7.642 7.642 7.178 0.464 18681 505 1 1 . 1 1 110 110 PHE N N 110 119.534 119.534 121.085 -1.551 18681 506 1 1 . 1 1 110 110 PHE HA H 110 4.950 4.950 4.891 0.059 18681 507 1 1 . 1 1 110 110 PHE CA C 110 55.415 55.415 57.044 -1.629 18681 508 1 1 . 1 1 110 110 PHE H H 110 7.644 7.644 8.280 -0.636 18681 509 1 1 . 1 1 111 111 HIS N N 111 116.408 116.408 122.170 -5.762 18681 510 1 1 . 1 1 111 111 HIS HA H 111 4.757 4.757 4.827 -0.070 18681 511 1 1 . 1 1 111 111 HIS CB C 111 32.022 32.022 33.129 -1.107 18681 512 1 1 . 1 1 111 111 HIS H H 111 6.789 6.789 8.142 -1.353 18681 513 1 1 . 1 1 112 112 LYS N N 112 119.836 119.836 121.903 -2.067 18681 514 1 1 . 1 1 112 112 LYS HA H 112 4.059 4.059 3.935 0.124 18681 515 1 1 . 1 1 112 112 LYS H H 112 8.267 8.267 8.125 0.142 18681 516 1 1 . 1 1 113 113 ASN N N 113 118.047 118.047 118.201 -0.154 18681 517 1 1 . 1 1 113 113 ASN HA H 113 4.737 4.737 4.593 0.144 18681 518 1 1 . 1 1 113 113 ASN CB C 113 38.295 38.295 38.090 0.205 18681 519 1 1 . 1 1 113 113 ASN H H 113 8.831 8.831 8.339 0.492 18681 520 1 1 . 1 1 114 114 MET N N 114 119.081 119.081 121.581 -2.500 18681 521 1 1 . 1 1 114 114 MET HA H 114 4.379 4.379 4.216 0.163 18681 522 1 1 . 1 1 114 114 MET CA C 114 58.194 58.194 59.218 -1.024 18681 523 1 1 . 1 1 114 114 MET H H 114 8.520 8.520 7.919 0.601 18681 524 1 1 . 1 1 115 115 ILE N N 115 125.193 125.193 119.667 5.526 18681 525 1 1 . 1 1 115 115 ILE HA H 115 3.651 3.651 3.758 -0.107 18681 526 1 1 . 1 1 115 115 ILE CA C 115 66.869 66.869 65.566 1.303 18681 527 1 1 . 1 1 115 115 ILE CB C 115 39.162 39.162 37.481 1.681 18681 528 1 1 . 1 1 115 115 ILE H H 115 7.737 7.737 7.775 -0.038 18681 529 1 1 . 1 1 116 116 LYS N N 116 118.190 118.190 120.060 -1.870 18681 530 1 1 . 1 1 116 116 LYS HA H 116 4.150 4.150 4.018 0.132 18681 531 1 1 . 1 1 116 116 LYS CA C 116 59.379 59.379 60.358 -0.979 18681 532 1 1 . 1 1 116 116 LYS CB C 116 32.097 32.097 32.400 -0.303 18681 533 1 1 . 1 1 116 116 LYS H H 116 8.393 8.393 8.055 0.338 18681 534 1 1 . 1 1 117 117 SER N N 117 117.471 117.471 116.131 1.340 18681 535 1 1 . 1 1 117 117 SER HA H 117 4.096 4.096 4.255 -0.159 18681 536 1 1 . 1 1 117 117 SER CA C 117 63.167 63.167 61.654 1.513 18681 537 1 1 . 1 1 117 117 SER CB C 117 63.135 63.135 62.976 0.159 18681 538 1 1 . 1 1 117 117 SER H H 117 8.138 8.138 8.624 -0.486 18681 539 1 1 . 1 1 118 118 PHE N N 118 121.885 121.885 122.312 -0.427 18681 540 1 1 . 1 1 118 118 PHE HA H 118 4.408 4.408 4.177 0.231 18681 541 1 1 . 1 1 118 118 PHE CA C 118 61.176 61.176 61.857 -0.681 18681 542 1 1 . 1 1 118 118 PHE CB C 118 38.889 38.889 38.629 0.260 18681 543 1 1 . 1 1 118 118 PHE H H 118 8.168 8.168 8.149 0.019 18681 544 1 1 . 1 1 119 119 TYR N N 119 118.356 118.356 120.140 -1.784 18681 545 1 1 . 1 1 119 119 TYR HA H 119 3.935 3.935 4.075 -0.140 18681 546 1 1 . 1 1 119 119 TYR CA C 119 62.261 62.261 62.340 -0.079 18681 547 1 1 . 1 1 119 119 TYR CB C 119 38.498 38.498 38.544 -0.045 18681 548 1 1 . 1 1 119 119 TYR H H 119 8.693 8.693 8.681 0.012 18681 549 1 1 . 1 1 120 120 THR N N 120 117.468 117.468 116.437 1.031 18681 550 1 1 . 1 1 120 120 THR HA H 120 3.705 3.705 3.805 -0.100 18681 551 1 1 . 1 1 120 120 THR CA C 120 67.393 67.393 67.108 0.285 18681 552 1 1 . 1 1 120 120 THR CB C 120 68.041 68.041 68.657 -0.616 18681 553 1 1 . 1 1 120 120 THR H H 120 9.582 9.582 8.444 1.138 18681 554 1 1 . 1 1 121 121 ALA N N 121 124.210 124.210 124.058 0.152 18681 555 1 1 . 1 1 121 121 ALA HA H 121 3.940 3.940 4.012 -0.072 18681 556 1 1 . 1 1 121 121 ALA CA C 121 56.508 56.508 55.287 1.221 18681 557 1 1 . 1 1 121 121 ALA CB C 121 17.325 17.325 18.197 -0.872 18681 558 1 1 . 1 1 121 121 ALA H H 121 8.444 8.444 8.123 0.321 18681 559 1 1 . 1 1 122 122 SER N N 122 111.334 111.334 114.423 -3.089 18681 560 1 1 . 1 1 122 122 SER HA H 122 4.009 4.009 4.091 -0.082 18681 561 1 1 . 1 1 122 122 SER CA C 122 62.531 62.531 61.419 1.112 18681 562 1 1 . 1 1 122 122 SER CB C 122 63.051 63.051 63.048 0.003 18681 563 1 1 . 1 1 122 122 SER H H 122 7.724 7.724 7.832 -0.108 18681 564 1 1 . 1 1 123 123 LEU N N 123 122.307 122.307 122.400 -0.093 18681 565 1 1 . 1 1 123 123 LEU HA H 123 4.092 4.092 3.857 0.235 18681 566 1 1 . 1 1 123 123 LEU CA C 123 57.100 57.100 58.266 -1.166 18681 567 1 1 . 1 1 123 123 LEU CB C 123 41.615 41.615 41.621 -0.006 18681 568 1 1 . 1 1 123 123 LEU H H 123 7.507 7.507 7.389 0.118 18681 569 1 1 . 1 1 124 124 LEU N N 124 117.851 117.851 120.174 -2.323 18681 570 1 1 . 1 1 124 124 LEU HA H 124 3.935 3.935 3.894 0.041 18681 571 1 1 . 1 1 124 124 LEU CA C 124 56.967 56.967 58.100 -1.133 18681 572 1 1 . 1 1 124 124 LEU CB C 124 41.832 41.832 41.733 0.099 18681 573 1 1 . 1 1 124 124 LEU H H 124 8.457 8.457 7.605 0.852 18681 574 1 1 . 1 1 125 125 ILE N N 125 118.695 118.695 119.556 -0.861 18681 575 1 1 . 1 1 125 125 ILE HA H 125 3.718 3.718 3.564 0.154 18681 576 1 1 . 1 1 125 125 ILE CA C 125 65.097 65.097 64.287 0.810 18681 577 1 1 . 1 1 125 125 ILE CB C 125 36.775 36.775 36.407 0.368 18681 578 1 1 . 1 1 125 125 ILE H H 125 7.766 7.766 7.875 -0.109 18681 579 1 1 . 1 1 126 126 ASP N N 126 117.428 117.428 120.249 -2.821 18681 580 1 1 . 1 1 126 126 ASP HA H 126 4.128 4.128 4.332 -0.204 18681 581 1 1 . 1 1 126 126 ASP CA C 126 57.998 57.998 57.237 0.761 18681 582 1 1 . 1 1 126 126 ASP CB C 126 39.372 39.372 39.861 -0.488 18681 583 1 1 . 1 1 126 126 ASP H H 126 7.288 7.288 7.685 -0.397 18681 584 1 1 . 1 1 127 127 VAL N N 127 120.003 120.003 117.381 2.622 18681 585 1 1 . 1 1 127 127 VAL HA H 127 2.992 2.992 3.652 -0.660 18681 586 1 1 . 1 1 127 127 VAL CA C 127 65.615 65.615 65.499 0.116 18681 587 1 1 . 1 1 127 127 VAL CB C 127 30.498 30.498 31.680 -1.181 18681 588 1 1 . 1 1 127 127 VAL H H 127 7.366 7.366 7.276 0.090 18681 589 1 1 . 1 1 128 128 ILE N N 128 117.743 117.743 117.000 0.743 18681 590 1 1 . 1 1 128 128 ILE HA H 128 3.956 3.956 4.088 -0.132 18681 591 1 1 . 1 1 128 128 ILE CA C 128 64.219 64.219 63.686 0.533 18681 592 1 1 . 1 1 128 128 ILE CB C 128 37.930 37.930 38.439 -0.509 18681 593 1 1 . 1 1 128 128 ILE H H 128 7.727 7.727 7.457 0.270 18681 594 1 1 . 1 1 129 129 THR N N 129 114.535 114.535 115.989 -1.454 18681 595 1 1 . 1 1 129 129 THR HA H 129 4.638 4.638 4.186 0.452 18681 596 1 1 . 1 1 129 129 THR CA C 129 64.808 64.808 65.443 -0.635 18681 597 1 1 . 1 1 129 129 THR CB C 129 69.759 69.759 68.320 1.439 18681 598 1 1 . 1 1 129 129 THR H H 129 7.873 7.873 8.204 -0.331 18681 599 1 1 . 1 1 130 130 VAL N N 130 118.351 118.351 119.666 -1.315 18681 600 1 1 . 1 1 130 130 VAL HA H 130 4.014 4.014 3.711 0.303 18681 601 1 1 . 1 1 130 130 VAL CA C 130 64.220 64.220 65.247 -1.027 18681 602 1 1 . 1 1 130 130 VAL CB C 130 31.307 31.307 30.643 0.664 18681 603 1 1 . 1 1 130 130 VAL H H 130 8.381 8.381 7.521 0.860 18681 604 1 1 . 1 1 131 131 PHE N N 131 117.227 117.227 119.127 -1.900 18681 605 1 1 . 1 1 131 131 PHE HA H 131 4.567 4.567 4.349 0.218 18681 606 1 1 . 1 1 131 131 PHE CA C 131 57.840 57.840 59.166 -1.326 18681 607 1 1 . 1 1 131 131 PHE CB C 131 39.029 39.029 38.966 0.063 18681 608 1 1 . 1 1 131 131 PHE H H 131 7.638 7.638 7.395 0.243 18681 609 1 1 . 1 1 132 132 GLY N N 132 106.811 106.811 106.526 0.285 18681 610 1 1 . 1 1 132 132 GLY CA C 132 43.921 43.921 45.427 -1.506 18681 611 1 1 . 1 1 132 132 GLY H H 132 7.433 7.433 8.307 -0.874 18681 612 1 1 . 1 1 133 133 GLU N N 133 119.340 119.340 119.917 -0.577 18681 613 1 1 . 1 1 133 133 GLU HA H 133 4.082 4.082 4.692 -0.610 18681 614 1 1 . 1 1 133 133 GLU CA C 133 56.504 56.504 55.204 1.300 18681 615 1 1 . 1 1 133 133 GLU CB C 133 30.184 30.184 32.222 -2.038 18681 616 1 1 . 1 1 133 133 GLU H H 133 8.278 8.278 8.303 -0.025 18681 617 1 1 . 1 1 134 134 LEU N N 134 122.134 122.134 123.781 -1.647 18681 618 1 1 . 1 1 134 134 LEU HA H 134 4.405 4.405 4.625 -0.220 18681 619 1 1 . 1 1 134 134 LEU CA C 134 54.169 54.169 53.836 0.333 18681 620 1 1 . 1 1 134 134 LEU CB C 134 43.997 43.997 44.892 -0.895 18681 621 1 1 . 1 1 134 134 LEU H H 134 8.410 8.410 8.390 0.020 18681 622 1 1 . 1 1 135 135 THR N N 135 112.032 112.032 112.377 -0.345 18681 623 1 1 . 1 1 135 135 THR HA H 135 4.220 4.220 4.429 -0.209 18681 624 1 1 . 1 1 135 135 THR CA C 135 60.449 60.449 60.652 -0.203 18681 625 1 1 . 1 1 135 135 THR CB C 135 70.386 70.386 71.435 -1.049 18681 626 1 1 . 1 1 135 135 THR H H 135 8.192 8.192 8.066 0.126 18681 627 1 1 . 1 1 136 136 ASP N N 136 121.429 121.429 121.747 -0.318 18681 628 1 1 . 1 1 136 136 ASP HA H 136 4.191 4.191 4.300 -0.109 18681 629 1 1 . 1 1 136 136 ASP CA C 136 57.415 57.415 57.915 -0.500 18681 630 1 1 . 1 1 136 136 ASP CB C 136 40.518 40.518 40.840 -0.322 18681 631 1 1 . 1 1 136 136 ASP H H 136 8.793 8.793 8.917 -0.124 18681 632 1 1 . 1 1 137 137 GLU N N 137 117.727 117.727 118.148 -0.421 18681 633 1 1 . 1 1 137 137 GLU HA H 137 3.670 3.670 3.842 -0.172 18681 634 1 1 . 1 1 137 137 GLU CA C 137 59.503 59.503 59.282 0.220 18681 635 1 1 . 1 1 137 137 GLU CB C 137 29.175 29.175 29.269 -0.094 18681 636 1 1 . 1 1 137 137 GLU H H 137 8.427 8.427 8.432 -0.005 18681 637 1 1 . 1 1 138 138 ASN N N 138 118.528 118.528 119.110 -0.582 18681 638 1 1 . 1 1 138 138 ASN HA H 138 4.488 4.488 4.290 0.198 18681 639 1 1 . 1 1 138 138 ASN CA C 138 55.536 55.536 56.229 -0.693 18681 640 1 1 . 1 1 138 138 ASN CB C 138 37.903 37.903 38.708 -0.805 18681 641 1 1 . 1 1 138 138 ASN H H 138 7.504 7.504 8.203 -0.699 18681 642 1 1 . 1 1 139 139 VAL N N 139 122.269 122.269 120.688 1.581 18681 643 1 1 . 1 1 139 139 VAL HA H 139 3.383 3.383 3.570 -0.187 18681 644 1 1 . 1 1 139 139 VAL CA C 139 67.168 67.168 67.018 0.150 18681 645 1 1 . 1 1 139 139 VAL CB C 139 31.765 31.765 31.609 0.156 18681 646 1 1 . 1 1 139 139 VAL H H 139 8.249 8.249 8.042 0.207 18681 647 1 1 . 1 1 140 140 LYS HA H 140 3.947 3.947 3.922 0.025 18681 648 1 1 . 1 1 140 140 LYS CA C 140 59.691 59.691 59.992 -0.301 18681 649 1 1 . 1 1 140 140 LYS CB C 140 32.044 32.044 32.206 -0.162 18681 650 1 1 . 1 1 140 140 LYS H H 140 7.994 7.994 7.805 0.189 18681 651 1 1 . 1 1 141 141 HIS N N 141 117.389 117.389 118.491 -1.102 18681 652 1 1 . 1 1 141 141 HIS HA H 141 4.296 4.296 4.298 -0.002 18681 653 1 1 . 1 1 141 141 HIS CA C 141 57.657 57.657 59.065 -1.407 18681 654 1 1 . 1 1 141 141 HIS CB C 141 28.500 28.500 30.005 -1.505 18681 655 1 1 . 1 1 141 141 HIS H H 141 8.491 8.491 8.703 -0.212 18681 656 1 1 . 1 1 142 142 ARG HA H 142 3.728 3.728 3.864 -0.136 18681 657 1 1 . 1 1 142 142 ARG CA C 142 61.356 61.356 60.276 1.080 18681 658 1 1 . 1 1 142 142 ARG H H 142 8.529 8.529 8.309 0.220 18681 659 1 1 . 1 1 143 143 LYS N N 143 117.710 117.710 118.598 -0.888 18681 660 1 1 . 1 1 143 143 LYS HA H 143 4.050 4.050 3.469 0.581 18681 661 1 1 . 1 1 143 143 LYS CA C 143 59.368 59.368 58.539 0.829 18681 662 1 1 . 1 1 143 143 LYS CB C 143 32.794 32.794 31.341 1.453 18681 663 1 1 . 1 1 143 143 LYS H H 143 7.664 7.664 7.541 0.123 18681 664 1 1 . 1 1 144 144 TYR HA H 144 4.275 4.275 3.916 0.359 18681 665 1 1 . 1 1 144 144 TYR CA C 144 62.445 62.445 61.639 0.806 18681 666 1 1 . 1 1 144 144 TYR CB C 144 39.542 39.542 38.456 1.086 18681 667 1 1 . 1 1 144 144 TYR H H 144 8.269 8.269 8.207 0.062 18681 668 1 1 . 1 1 145 145 ALA N N 145 118.744 118.744 120.997 -2.253 18681 669 1 1 . 1 1 145 145 ALA HA H 145 3.667 3.667 3.535 0.132 18681 670 1 1 . 1 1 145 145 ALA CA C 145 54.777 54.777 55.035 -0.258 18681 671 1 1 . 1 1 145 145 ALA CB C 145 18.761 18.761 18.133 0.628 18681 672 1 1 . 1 1 145 145 ALA H H 145 8.825 8.825 8.868 -0.043 18681 673 1 1 . 1 1 146 146 ARG N N 146 116.092 116.092 119.726 -3.634 18681 674 1 1 . 1 1 146 146 ARG HA H 146 3.865 3.865 4.033 -0.168 18681 675 1 1 . 1 1 146 146 ARG CA C 146 59.666 59.666 59.487 0.179 18681 676 1 1 . 1 1 146 146 ARG CB C 146 30.400 30.400 29.827 0.573 18681 677 1 1 . 1 1 146 146 ARG H H 146 8.024 8.024 8.084 -0.060 18681 678 1 1 . 1 1 147 147 TRP N N 147 119.666 119.666 119.121 0.545 18681 679 1 1 . 1 1 147 147 TRP HA H 147 4.224 4.224 4.462 -0.238 18681 680 1 1 . 1 1 147 147 TRP CA C 147 60.996 60.996 58.410 2.586 18681 681 1 1 . 1 1 147 147 TRP CB C 147 28.593 28.593 28.399 0.194 18681 682 1 1 . 1 1 147 147 TRP H H 147 8.014 8.014 7.950 0.064 18681 683 1 1 . 1 1 148 148 LYS N N 148 118.775 118.775 119.337 -0.562 18681 684 1 1 . 1 1 148 148 LYS HA H 148 3.212 3.212 3.723 -0.511 18681 685 1 1 . 1 1 148 148 LYS CA C 148 58.399 58.399 59.126 -0.727 18681 686 1 1 . 1 1 148 148 LYS CB C 148 30.846 30.846 31.353 -0.507 18681 687 1 1 . 1 1 148 148 LYS H H 148 8.619 8.619 8.110 0.509 18681 688 1 1 . 1 1 149 149 ALA HA H 149 3.889 3.889 3.942 -0.053 18681 689 1 1 . 1 1 149 149 ALA CA C 149 55.906 55.906 55.558 0.348 18681 690 1 1 . 1 1 149 149 ALA CB C 149 18.443 18.443 18.259 0.184 18681 691 1 1 . 1 1 149 149 ALA H H 149 7.813 7.813 8.419 -0.606 18681 692 1 1 . 1 1 150 150 THR N N 150 112.174 112.174 116.569 -4.395 18681 693 1 1 . 1 1 150 150 THR HA H 150 3.721 3.721 4.076 -0.355 18681 694 1 1 . 1 1 150 150 THR CA C 150 66.282 66.282 67.283 -1.001 18681 695 1 1 . 1 1 150 150 THR CB C 150 68.853 68.853 69.019 -0.166 18681 696 1 1 . 1 1 150 150 THR H H 150 7.232 7.232 7.899 -0.667 18681 697 1 1 . 1 1 151 151 TYR N N 151 123.353 123.353 123.770 -0.417 18681 698 1 1 . 1 1 151 151 TYR HA H 151 4.005 4.005 4.083 -0.078 18681 699 1 1 . 1 1 151 151 TYR CA C 151 60.334 60.334 62.677 -2.343 18681 700 1 1 . 1 1 151 151 TYR CB C 151 38.246 38.246 38.242 0.004 18681 701 1 1 . 1 1 151 151 TYR H H 151 8.513 8.513 8.910 -0.397 18681 702 1 1 . 1 1 152 152 ILE N N 152 119.933 119.933 118.735 1.198 18681 703 1 1 . 1 1 152 152 ILE HA H 152 2.789 2.789 3.454 -0.665 18681 704 1 1 . 1 1 152 152 ILE CA C 152 65.885 65.885 66.007 -0.122 18681 705 1 1 . 1 1 152 152 ILE CB C 152 38.194 38.194 37.787 0.407 18681 706 1 1 . 1 1 152 152 ILE H H 152 8.860 8.860 8.513 0.347 18681 707 1 1 . 1 1 153 153 HIS N N 153 117.221 117.221 119.435 -2.214 18681 708 1 1 . 1 1 153 153 HIS HA H 153 3.957 3.957 4.172 -0.215 18681 709 1 1 . 1 1 153 153 HIS CA C 153 60.290 60.290 60.560 -0.270 18681 710 1 1 . 1 1 153 153 HIS CB C 153 30.363 30.363 29.850 0.513 18681 711 1 1 . 1 1 153 153 HIS H H 153 7.757 7.757 8.013 -0.256 18681 712 1 1 . 1 1 154 154 ASN N N 154 117.429 117.429 118.519 -1.090 18681 713 1 1 . 1 1 154 154 ASN HA H 154 4.124 4.124 4.382 -0.258 18681 714 1 1 . 1 1 154 154 ASN CA C 154 55.977 55.977 56.048 -0.071 18681 715 1 1 . 1 1 154 154 ASN CB C 154 37.579 37.579 38.422 -0.844 18681 716 1 1 . 1 1 154 154 ASN H H 154 8.355 8.355 8.768 -0.413 18681 717 1 1 . 1 1 155 155 CYS N N 155 118.306 118.306 118.990 -0.684 18681 718 1 1 . 1 1 155 155 CYS HA H 155 3.881 3.881 3.913 -0.032 18681 719 1 1 . 1 1 155 155 CYS CA C 155 64.039 64.039 64.311 -0.272 18681 720 1 1 . 1 1 155 155 CYS CB C 155 26.124 26.124 26.669 -0.545 18681 721 1 1 . 1 1 155 155 CYS H H 155 8.020 8.020 8.422 -0.402 18681 722 1 1 . 1 1 156 156 LEU N N 156 118.448 118.448 120.620 -2.172 18681 723 1 1 . 1 1 156 156 LEU HA H 156 3.944 3.944 3.824 0.120 18681 724 1 1 . 1 1 156 156 LEU CA C 156 57.844 57.844 57.778 0.066 18681 725 1 1 . 1 1 156 156 LEU CB C 156 40.196 40.196 41.540 -1.344 18681 726 1 1 . 1 1 156 156 LEU H H 156 8.139 8.139 7.928 0.211 18681 727 1 1 . 1 1 157 157 LYS N N 157 120.180 120.180 119.649 0.531 18681 728 1 1 . 1 1 157 157 LYS HA H 157 3.896 3.896 3.912 -0.016 18681 729 1 1 . 1 1 157 157 LYS CA C 157 58.474 58.474 58.413 0.061 18681 730 1 1 . 1 1 157 157 LYS CB C 157 31.852 31.852 32.124 -0.272 18681 731 1 1 . 1 1 157 157 LYS H H 157 7.912 7.912 7.766 0.146 18681 732 1 1 . 1 1 158 158 ASN N N 158 115.220 115.220 114.831 0.389 18681 733 1 1 . 1 1 158 158 ASN HA H 158 4.730 4.730 4.679 0.051 18681 734 1 1 . 1 1 158 158 ASN CB C 158 39.411 39.411 39.088 0.323 18681 735 1 1 . 1 1 158 158 ASN H H 158 7.422 7.422 7.965 -0.543 18681 736 1 1 . 1 1 159 159 GLY N N 159 108.815 108.815 107.454 1.361 18681 737 1 1 . 1 1 159 159 GLY CA C 159 46.296 46.296 45.245 1.051 18681 738 1 1 . 1 1 159 159 GLY H H 159 7.752 7.752 7.602 0.150 18681 739 1 1 . 1 1 160 160 GLU N N 160 119.601 119.601 120.409 -0.808 18681 740 1 1 . 1 1 160 160 GLU HA H 160 4.421 4.421 4.617 -0.196 18681 741 1 1 . 1 1 160 160 GLU CA C 160 54.102 54.102 54.445 -0.343 18681 742 1 1 . 1 1 160 160 GLU CB C 160 31.969 31.969 32.050 -0.081 18681 743 1 1 . 1 1 160 160 GLU H H 160 8.174 8.174 8.395 -0.221 18681 744 1 1 . 1 1 161 161 THR N N 161 120.600 120.600 117.719 2.881 18681 745 1 1 . 1 1 161 161 THR HA H 161 4.341 4.341 4.369 -0.028 18681 746 1 1 . 1 1 161 161 THR CB C 161 69.624 69.624 68.095 1.529 18681 747 1 1 . 1 1 161 161 THR H H 161 8.714 8.714 8.368 0.346 18681 748 1 1 . 1 1 162 162 PRO HA H 162 4.277 4.277 4.145 0.132 18681 749 1 1 . 1 1 162 162 PRO CA C 162 61.790 61.790 62.987 -1.198 18681 750 1 1 . 1 1 162 162 PRO CB C 162 31.178 31.178 31.497 -0.319 18681 751 1 2 . 1 1 2 2 ALA N N 2 125.894 125.894 127.117 -1.223 18681 752 1 2 . 1 1 2 2 ALA HA H 2 4.192 4.192 4.673 -0.480 18681 753 1 2 . 1 1 2 2 ALA CA C 2 52.096 52.096 51.966 0.130 18681 754 1 2 . 1 1 2 2 ALA CB C 2 19.072 19.072 19.938 -0.866 18681 755 1 2 . 1 1 2 2 ALA H H 2 8.413 8.413 8.520 -0.107 18681 756 1 2 . 1 1 3 3 ALA N N 3 123.543 123.543 122.174 1.369 18681 757 1 2 . 1 1 3 3 ALA HA H 3 4.226 4.226 4.688 -0.462 18681 758 1 2 . 1 1 3 3 ALA CA C 3 51.943 51.943 51.431 0.512 18681 759 1 2 . 1 1 3 3 ALA CB C 3 18.992 18.992 20.437 -1.445 18681 760 1 2 . 1 1 3 3 ALA H H 3 8.233 8.233 8.123 0.110 18681 761 1 2 . 1 1 4 4 LEU N N 4 121.641 121.641 121.627 0.014 18681 762 1 2 . 1 1 4 4 LEU HA H 4 4.284 4.284 4.506 -0.222 18681 763 1 2 . 1 1 4 4 LEU CA C 4 53.885 53.885 54.423 -0.538 18681 764 1 2 . 1 1 4 4 LEU CB C 4 42.307 42.307 42.319 -0.012 18681 765 1 2 . 1 1 4 4 LEU H H 4 8.114 8.114 8.508 -0.394 18681 766 1 2 . 1 1 5 5 ALA N N 5 128.329 128.329 125.004 3.325 18681 767 1 2 . 1 1 5 5 ALA HA H 5 4.453 4.453 4.543 -0.090 18681 768 1 2 . 1 1 5 5 ALA CA C 5 50.164 50.164 50.277 -0.113 18681 769 1 2 . 1 1 5 5 ALA CB C 5 17.687 17.687 18.533 -0.846 18681 770 1 2 . 1 1 5 5 ALA H H 5 8.623 8.623 8.101 0.522 18681 771 1 2 . 1 1 6 6 PRO HA H 6 4.274 4.274 4.247 0.027 18681 772 1 2 . 1 1 6 6 PRO CA C 6 62.403 62.403 63.174 -0.771 18681 773 1 2 . 1 1 6 6 PRO CB C 6 32.105 32.105 32.010 0.095 18681 774 1 2 . 1 1 7 7 LEU N N 7 122.228 122.228 126.385 -4.157 18681 775 1 2 . 1 1 7 7 LEU HA H 7 4.324 4.324 4.671 -0.347 18681 776 1 2 . 1 1 7 7 LEU CA C 7 52.914 52.914 52.411 0.503 18681 777 1 2 . 1 1 7 7 LEU CB C 7 40.952 40.952 41.832 -0.880 18681 778 1 2 . 1 1 7 7 LEU H H 7 8.264 8.264 8.448 -0.184 18681 779 1 2 . 1 1 8 8 PRO HA H 8 4.745 4.745 4.637 0.108 18681 780 1 2 . 1 1 9 9 PRO HA H 9 4.200 4.200 4.301 -0.101 18681 781 1 2 . 1 1 9 9 PRO CA C 9 62.648 62.648 63.451 -0.803 18681 782 1 2 . 1 1 9 9 PRO CB C 9 31.646 31.646 32.120 -0.474 18681 783 1 2 . 1 1 10 10 LEU N N 10 125.824 125.824 125.033 0.791 18681 784 1 2 . 1 1 10 10 LEU HA H 10 3.742 3.742 4.268 -0.526 18681 785 1 2 . 1 1 10 10 LEU CA C 10 53.064 53.064 52.968 0.096 18681 786 1 2 . 1 1 10 10 LEU CB C 10 42.980 42.980 42.393 0.587 18681 787 1 2 . 1 1 10 10 LEU H H 10 8.172 8.172 8.122 0.050 18681 788 1 2 . 1 1 11 11 PRO HA H 11 4.175 4.175 4.478 -0.303 18681 789 1 2 . 1 1 11 11 PRO CA C 11 62.124 62.124 62.215 -0.091 18681 790 1 2 . 1 1 11 11 PRO CB C 11 32.442 32.442 32.645 -0.203 18681 791 1 2 . 1 1 12 12 ALA N N 12 128.292 128.292 125.507 2.785 18681 792 1 2 . 1 1 12 12 ALA HA H 12 3.920 3.920 4.000 -0.080 18681 793 1 2 . 1 1 12 12 ALA CA C 12 55.057 55.057 54.681 0.376 18681 794 1 2 . 1 1 12 12 ALA CB C 12 17.918 17.918 18.945 -1.027 18681 795 1 2 . 1 1 12 12 ALA H H 12 8.851 8.851 8.572 0.279 18681 796 1 2 . 1 1 13 13 GLN N N 13 115.075 115.075 116.651 -1.576 18681 797 1 2 . 1 1 13 13 GLN HA H 13 4.024 4.024 4.075 -0.051 18681 798 1 2 . 1 1 13 13 GLN CA C 13 58.436 58.436 57.879 0.557 18681 799 1 2 . 1 1 13 13 GLN CB C 13 28.058 28.058 28.475 -0.417 18681 800 1 2 . 1 1 13 13 GLN H H 13 9.448 9.448 8.656 0.792 18681 801 1 2 . 1 1 14 14 PHE N N 14 116.832 116.832 115.075 1.757 18681 802 1 2 . 1 1 14 14 PHE HA H 14 4.865 4.865 4.738 0.127 18681 803 1 2 . 1 1 14 14 PHE CA C 14 52.224 52.224 56.387 -4.163 18681 804 1 2 . 1 1 14 14 PHE CB C 14 36.841 36.841 39.114 -2.273 18681 805 1 2 . 1 1 14 14 PHE H H 14 7.970 7.970 7.923 0.047 18681 806 1 2 . 1 1 15 15 LYS N N 15 120.886 120.886 121.883 -0.997 18681 807 1 2 . 1 1 15 15 LYS HA H 15 3.852 3.852 4.070 -0.218 18681 808 1 2 . 1 1 15 15 LYS CA C 15 60.248 60.248 58.988 1.260 18681 809 1 2 . 1 1 15 15 LYS CB C 15 32.137 32.137 31.714 0.423 18681 810 1 2 . 1 1 15 15 LYS H H 15 7.358 7.358 8.261 -0.903 18681 811 1 2 . 1 1 16 16 SER N N 16 111.755 111.755 116.015 -4.260 18681 812 1 2 . 1 1 16 16 SER HA H 16 4.321 4.321 4.328 -0.007 18681 813 1 2 . 1 1 16 16 SER CA C 16 61.099 61.099 60.834 0.265 18681 814 1 2 . 1 1 16 16 SER CB C 16 62.700 62.700 63.114 -0.414 18681 815 1 2 . 1 1 16 16 SER H H 16 8.733 8.733 8.448 0.285 18681 816 1 2 . 1 1 17 17 ILE N N 17 113.676 113.676 113.050 0.626 18681 817 1 2 . 1 1 17 17 ILE HA H 17 6.002 6.002 5.034 0.968 18681 818 1 2 . 1 1 17 17 ILE CA C 17 60.675 60.675 59.542 1.133 18681 819 1 2 . 1 1 17 17 ILE CB C 17 37.907 37.907 37.580 0.327 18681 820 1 2 . 1 1 17 17 ILE H H 17 7.692 7.692 7.403 0.289 18681 821 1 2 . 1 1 18 18 GLN N N 18 122.213 122.213 123.031 -0.818 18681 822 1 2 . 1 1 18 18 GLN HA H 18 3.875 3.875 3.887 -0.012 18681 823 1 2 . 1 1 18 18 GLN CA C 18 59.886 59.886 59.864 0.022 18681 824 1 2 . 1 1 18 18 GLN CB C 18 29.027 29.027 28.739 0.288 18681 825 1 2 . 1 1 18 18 GLN H H 18 7.810 7.810 7.410 0.400 18681 826 1 2 . 1 1 19 19 HIS N N 19 118.333 118.333 116.530 1.803 18681 827 1 2 . 1 1 19 19 HIS HA H 19 4.547 4.547 4.419 0.128 18681 828 1 2 . 1 1 19 19 HIS CA C 19 58.358 58.358 59.103 -0.745 18681 829 1 2 . 1 1 19 19 HIS CB C 19 30.164 30.164 29.186 0.978 18681 830 1 2 . 1 1 19 19 HIS H H 19 9.436 9.436 8.559 0.877 18681 831 1 2 . 1 1 20 20 HIS N N 20 124.401 124.401 119.025 5.376 18681 832 1 2 . 1 1 20 20 HIS HA H 20 3.958 3.958 4.354 -0.396 18681 833 1 2 . 1 1 20 20 HIS CA C 20 62.329 62.329 60.151 2.178 18681 834 1 2 . 1 1 20 20 HIS CB C 20 30.170 30.170 29.792 0.378 18681 835 1 2 . 1 1 20 20 HIS H H 20 8.456 8.456 8.044 0.412 18681 836 1 2 . 1 1 21 21 LEU N N 21 118.826 118.826 117.311 1.515 18681 837 1 2 . 1 1 21 21 LEU HA H 21 4.096 4.096 4.170 -0.074 18681 838 1 2 . 1 1 21 21 LEU CA C 21 57.730 57.730 58.747 -1.017 18681 839 1 2 . 1 1 21 21 LEU CB C 21 41.415 41.415 41.120 0.295 18681 840 1 2 . 1 1 21 21 LEU H H 21 8.028 8.028 8.113 -0.085 18681 841 1 2 . 1 1 22 22 ARG N N 22 121.674 121.674 119.923 1.751 18681 842 1 2 . 1 1 22 22 ARG HA H 22 4.227 4.227 4.000 0.227 18681 843 1 2 . 1 1 22 22 ARG CA C 22 59.535 59.535 59.960 -0.425 18681 844 1 2 . 1 1 22 22 ARG CB C 22 29.809 29.809 30.082 -0.273 18681 845 1 2 . 1 1 22 22 ARG H H 22 8.103 8.103 8.084 0.019 18681 846 1 2 . 1 1 23 23 THR N N 23 116.419 116.419 115.990 0.429 18681 847 1 2 . 1 1 23 23 THR HA H 23 4.113 4.113 4.405 -0.292 18681 848 1 2 . 1 1 23 23 THR CA C 23 67.072 67.072 66.214 0.858 18681 849 1 2 . 1 1 23 23 THR CB C 23 68.245 68.245 68.776 -0.531 18681 850 1 2 . 1 1 23 23 THR H H 23 8.208 8.208 8.076 0.132 18681 851 1 2 . 1 1 24 24 ALA N N 24 125.741 125.741 124.062 1.679 18681 852 1 2 . 1 1 24 24 ALA HA H 24 3.928 3.928 4.050 -0.122 18681 853 1 2 . 1 1 24 24 ALA CA C 24 56.675 56.675 55.153 1.522 18681 854 1 2 . 1 1 24 24 ALA CB C 24 19.011 19.011 18.185 0.826 18681 855 1 2 . 1 1 24 24 ALA H H 24 8.149 8.149 7.786 0.363 18681 856 1 2 . 1 1 25 25 GLN N N 25 115.916 115.916 117.901 -1.985 18681 857 1 2 . 1 1 25 25 GLN HA H 25 4.375 4.375 4.062 0.313 18681 858 1 2 . 1 1 25 25 GLN CA C 25 58.060 58.060 59.037 -0.977 18681 859 1 2 . 1 1 25 25 GLN CB C 25 28.423 28.423 28.778 -0.355 18681 860 1 2 . 1 1 25 25 GLN H H 25 7.785 7.785 8.413 -0.628 18681 861 1 2 . 1 1 26 26 GLU N N 26 117.821 117.821 116.712 1.109 18681 862 1 2 . 1 1 26 26 GLU HA H 26 4.089 4.089 4.167 -0.078 18681 863 1 2 . 1 1 26 26 GLU CA C 26 58.165 58.165 58.462 -0.297 18681 864 1 2 . 1 1 26 26 GLU CB C 26 29.323 29.323 29.539 -0.216 18681 865 1 2 . 1 1 26 26 GLU H H 26 8.457 8.457 7.808 0.649 18681 866 1 2 . 1 1 27 27 HIS N N 27 115.762 115.762 119.504 -3.742 18681 867 1 2 . 1 1 27 27 HIS HA H 27 4.380 4.380 4.467 -0.087 18681 868 1 2 . 1 1 27 27 HIS CA C 27 59.076 59.076 59.736 -0.660 18681 869 1 2 . 1 1 27 27 HIS CB C 27 29.049 29.049 29.872 -0.823 18681 870 1 2 . 1 1 27 27 HIS H H 27 7.962 7.962 8.295 -0.333 18681 871 1 2 . 1 1 28 28 ASP N N 28 123.640 123.640 120.848 2.792 18681 872 1 2 . 1 1 28 28 ASP HA H 28 4.332 4.332 4.369 -0.037 18681 873 1 2 . 1 1 28 28 ASP CA C 28 58.935 58.935 57.480 1.456 18681 874 1 2 . 1 1 28 28 ASP CB C 28 40.355 40.355 40.580 -0.225 18681 875 1 2 . 1 1 28 28 ASP H H 28 7.593 7.593 8.435 -0.842 18681 876 1 2 . 1 1 29 29 LYS N N 29 113.398 113.398 118.502 -5.104 18681 877 1 2 . 1 1 29 29 LYS HA H 29 4.395 4.395 4.179 0.216 18681 878 1 2 . 1 1 29 29 LYS CA C 29 56.654 56.654 58.081 -1.427 18681 879 1 2 . 1 1 29 29 LYS CB C 29 32.708 32.708 32.738 -0.030 18681 880 1 2 . 1 1 29 29 LYS H H 29 8.013 8.013 7.839 0.174 18681 881 1 2 . 1 1 30 30 ARG N N 30 117.542 117.542 118.964 -1.422 18681 882 1 2 . 1 1 30 30 ARG HA H 30 4.244 4.244 4.121 0.123 18681 883 1 2 . 1 1 30 30 ARG CA C 30 57.994 57.994 58.210 -0.216 18681 884 1 2 . 1 1 30 30 ARG CB C 30 32.658 32.658 31.000 1.657 18681 885 1 2 . 1 1 30 30 ARG H H 30 7.873 7.873 7.590 0.283 18681 886 1 2 . 1 1 31 31 ASP N N 31 112.265 112.265 114.859 -2.594 18681 887 1 2 . 1 1 31 31 ASP HA H 31 4.866 4.866 5.105 -0.239 18681 888 1 2 . 1 1 31 31 ASP CA C 31 52.200 52.200 53.060 -0.860 18681 889 1 2 . 1 1 31 31 ASP CB C 31 40.932 40.932 43.112 -2.180 18681 890 1 2 . 1 1 31 31 ASP H H 31 8.808 8.808 8.539 0.269 18681 891 1 2 . 1 1 32 32 PRO HA H 32 4.411 4.411 4.484 -0.073 18681 892 1 2 . 1 1 32 32 PRO CA C 32 63.963 63.963 65.038 -1.075 18681 893 1 2 . 1 1 32 32 PRO CB C 32 32.908 32.908 32.170 0.738 18681 894 1 2 . 1 1 33 33 VAL N N 33 117.414 117.414 120.107 -2.693 18681 895 1 2 . 1 1 33 33 VAL HA H 33 3.480 3.480 3.833 -0.353 18681 896 1 2 . 1 1 33 33 VAL CA C 33 66.518 66.518 66.484 0.034 18681 897 1 2 . 1 1 33 33 VAL CB C 33 31.120 31.120 31.212 -0.092 18681 898 1 2 . 1 1 33 33 VAL H H 33 7.656 7.656 8.210 -0.554 18681 899 1 2 . 1 1 34 34 VAL N N 34 120.456 120.456 119.519 0.937 18681 900 1 2 . 1 1 34 34 VAL HA H 34 3.561 3.561 3.828 -0.267 18681 901 1 2 . 1 1 34 34 VAL CA C 34 66.828 66.828 66.434 0.394 18681 902 1 2 . 1 1 34 34 VAL CB C 34 32.442 32.442 30.709 1.733 18681 903 1 2 . 1 1 34 34 VAL H H 34 7.234 7.234 7.916 -0.682 18681 904 1 2 . 1 1 35 35 ALA N N 35 121.869 121.869 123.095 -1.226 18681 905 1 2 . 1 1 35 35 ALA HA H 35 3.909 3.909 4.044 -0.135 18681 906 1 2 . 1 1 35 35 ALA CA C 35 56.024 56.024 55.271 0.753 18681 907 1 2 . 1 1 35 35 ALA CB C 35 19.264 19.264 18.362 0.902 18681 908 1 2 . 1 1 35 35 ALA H H 35 8.096 8.096 7.849 0.247 18681 909 1 2 . 1 1 36 36 TYR N N 36 117.995 117.995 120.744 -2.749 18681 910 1 2 . 1 1 36 36 TYR HA H 36 3.826 3.826 3.999 -0.173 18681 911 1 2 . 1 1 36 36 TYR CA C 36 62.044 62.044 62.547 -0.503 18681 912 1 2 . 1 1 36 36 TYR CB C 36 38.136 38.136 38.568 -0.432 18681 913 1 2 . 1 1 36 36 TYR H H 36 8.271 8.271 8.186 0.085 18681 914 1 2 . 1 1 37 37 TYR N N 37 116.773 116.773 117.848 -1.075 18681 915 1 2 . 1 1 37 37 TYR HA H 37 4.046 4.046 4.276 -0.230 18681 916 1 2 . 1 1 37 37 TYR CA C 37 63.831 63.831 62.680 1.151 18681 917 1 2 . 1 1 37 37 TYR CB C 37 37.749 37.749 38.342 -0.592 18681 918 1 2 . 1 1 37 37 TYR H H 37 8.213 8.213 8.120 0.093 18681 919 1 2 . 1 1 38 38 CYS N N 38 116.194 116.194 118.219 -2.025 18681 920 1 2 . 1 1 38 38 CYS HA H 38 4.370 4.370 4.211 0.159 18681 921 1 2 . 1 1 38 38 CYS CA C 38 64.389 64.389 63.343 1.046 18681 922 1 2 . 1 1 38 38 CYS CB C 38 27.945 27.945 26.224 1.721 18681 923 1 2 . 1 1 38 38 CYS H H 38 8.695 8.695 8.871 -0.176 18681 924 1 2 . 1 1 39 39 ARG N N 39 117.023 117.023 119.952 -2.929 18681 925 1 2 . 1 1 39 39 ARG HA H 39 3.804 3.804 4.032 -0.228 18681 926 1 2 . 1 1 39 39 ARG CA C 39 60.198 60.198 59.446 0.752 18681 927 1 2 . 1 1 39 39 ARG H H 39 7.005 7.005 8.185 -1.180 18681 928 1 2 . 1 1 40 40 LEU N N 40 123.317 123.317 121.689 1.628 18681 929 1 2 . 1 1 40 40 LEU HA H 40 3.813 3.813 3.873 -0.060 18681 930 1 2 . 1 1 40 40 LEU CA C 40 58.181 58.181 57.788 0.394 18681 931 1 2 . 1 1 40 40 LEU CB C 40 42.085 42.085 41.524 0.561 18681 932 1 2 . 1 1 40 40 LEU H H 40 8.326 8.326 7.639 0.687 18681 933 1 2 . 1 1 41 41 TYR N N 41 118.320 118.320 119.919 -1.599 18681 934 1 2 . 1 1 41 41 TYR HA H 41 3.732 3.732 4.011 -0.279 18681 935 1 2 . 1 1 41 41 TYR CA C 41 61.418 61.418 60.749 0.668 18681 936 1 2 . 1 1 41 41 TYR CB C 41 38.953 38.953 38.064 0.889 18681 937 1 2 . 1 1 41 41 TYR H H 41 8.533 8.533 7.990 0.543 18681 938 1 2 . 1 1 42 42 ALA N N 42 123.644 123.644 121.543 2.101 18681 939 1 2 . 1 1 42 42 ALA HA H 42 3.482 3.482 3.507 -0.025 18681 940 1 2 . 1 1 42 42 ALA CA C 42 55.157 55.157 54.903 0.254 18681 941 1 2 . 1 1 42 42 ALA CB C 42 18.413 18.413 18.232 0.181 18681 942 1 2 . 1 1 42 42 ALA H H 42 7.962 7.962 7.899 0.063 18681 943 1 2 . 1 1 43 43 MET N N 43 117.932 117.932 118.389 -0.457 18681 944 1 2 . 1 1 43 43 MET HA H 43 3.696 3.696 3.929 -0.233 18681 945 1 2 . 1 1 43 43 MET CA C 43 58.675 58.675 59.581 -0.906 18681 946 1 2 . 1 1 43 43 MET H H 43 8.433 8.433 8.102 0.331 18681 947 1 2 . 1 1 44 44 GLN N N 44 116.738 116.738 117.823 -1.085 18681 948 1 2 . 1 1 44 44 GLN HA H 44 3.773 3.773 3.936 -0.163 18681 949 1 2 . 1 1 44 44 GLN CA C 44 58.924 58.924 58.961 -0.037 18681 950 1 2 . 1 1 44 44 GLN CB C 44 27.921 27.921 28.580 -0.659 18681 951 1 2 . 1 1 44 44 GLN H H 44 8.307 8.307 7.954 0.353 18681 952 1 2 . 1 1 45 45 THR N N 45 116.249 116.249 115.760 0.489 18681 953 1 2 . 1 1 45 45 THR HA H 45 3.479 3.479 3.846 -0.367 18681 954 1 2 . 1 1 45 45 THR CA C 45 66.529 66.529 66.695 -0.166 18681 955 1 2 . 1 1 45 45 THR CB C 45 67.635 67.635 67.995 -0.360 18681 956 1 2 . 1 1 45 45 THR H H 45 7.954 7.954 7.575 0.379 18681 957 1 2 . 1 1 46 46 GLY N N 46 110.016 110.016 109.845 0.171 18681 958 1 2 . 1 1 46 46 GLY CA C 46 46.653 46.653 47.243 -0.590 18681 959 1 2 . 1 1 46 46 GLY H H 46 8.429 8.429 8.208 0.221 18681 960 1 2 . 1 1 47 47 MET N N 47 118.040 118.040 119.825 -1.785 18681 961 1 2 . 1 1 47 47 MET HA H 47 3.876 3.876 4.378 -0.502 18681 962 1 2 . 1 1 47 47 MET CA C 47 58.136 58.136 58.196 -0.060 18681 963 1 2 . 1 1 47 47 MET CB C 47 32.445 32.445 32.168 0.277 18681 964 1 2 . 1 1 47 47 MET H H 47 8.160 8.160 8.202 -0.042 18681 965 1 2 . 1 1 48 48 LYS N N 48 116.712 116.712 119.050 -2.338 18681 966 1 2 . 1 1 48 48 LYS HA H 48 4.012 4.012 4.024 -0.012 18681 967 1 2 . 1 1 48 48 LYS CA C 48 57.945 57.945 58.727 -0.782 18681 968 1 2 . 1 1 48 48 LYS CB C 48 32.533 32.533 32.278 0.255 18681 969 1 2 . 1 1 48 48 LYS H H 48 6.958 6.958 7.654 -0.696 18681 970 1 2 . 1 1 49 49 ILE N N 49 120.903 120.903 117.441 3.462 18681 971 1 2 . 1 1 49 49 ILE HA H 49 3.718 3.718 3.803 -0.085 18681 972 1 2 . 1 1 49 49 ILE CA C 49 64.863 64.863 63.589 1.274 18681 973 1 2 . 1 1 49 49 ILE CB C 49 39.087 39.087 38.474 0.613 18681 974 1 2 . 1 1 49 49 ILE H H 49 7.609 7.609 7.386 0.223 18681 975 1 2 . 1 1 50 50 ASP N N 50 115.959 115.959 119.337 -3.378 18681 976 1 2 . 1 1 50 50 ASP HA H 50 4.488 4.488 4.990 -0.502 18681 977 1 2 . 1 1 50 50 ASP CA C 50 55.393 55.393 53.212 2.181 18681 978 1 2 . 1 1 50 50 ASP CB C 50 40.952 40.952 41.716 -0.764 18681 979 1 2 . 1 1 50 50 ASP H H 50 8.214 8.214 7.683 0.531 18681 980 1 2 . 1 1 51 51 SER N N 51 115.917 115.917 119.749 -3.832 18681 981 1 2 . 1 1 51 51 SER HA H 51 4.566 4.566 4.293 0.273 18681 982 1 2 . 1 1 51 51 SER CA C 51 56.544 56.544 60.459 -3.915 18681 983 1 2 . 1 1 51 51 SER CB C 51 64.126 64.126 63.916 0.210 18681 984 1 2 . 1 1 51 51 SER H H 51 8.438 8.438 8.592 -0.154 18681 985 1 2 . 1 1 52 52 LYS N N 52 122.213 122.213 122.238 -0.025 18681 986 1 2 . 1 1 52 52 LYS HA H 52 4.438 4.438 4.583 -0.145 18681 987 1 2 . 1 1 52 52 LYS CB C 52 35.344 35.344 33.749 1.595 18681 988 1 2 . 1 1 52 52 LYS H H 52 8.937 8.937 8.130 0.807 18681 989 1 2 . 1 1 53 53 THR N N 53 122.291 122.291 120.188 2.103 18681 990 1 2 . 1 1 53 53 THR HA H 53 4.273 4.273 4.765 -0.492 18681 991 1 2 . 1 1 53 53 THR CA C 53 61.837 61.837 59.689 2.148 18681 992 1 2 . 1 1 53 53 THR CB C 53 68.067 68.067 69.529 -1.462 18681 993 1 2 . 1 1 53 53 THR H H 53 9.437 9.437 8.293 1.144 18681 994 1 2 . 1 1 54 54 PRO HA H 54 4.050 4.050 4.117 -0.067 18681 995 1 2 . 1 1 54 54 PRO CA C 54 66.870 66.870 65.603 1.267 18681 996 1 2 . 1 1 54 54 PRO CB C 54 31.670 31.670 31.911 -0.241 18681 997 1 2 . 1 1 55 55 GLU N N 55 116.532 116.532 117.127 -0.595 18681 998 1 2 . 1 1 55 55 GLU HA H 55 4.024 4.024 4.222 -0.198 18681 999 1 2 . 1 1 55 55 GLU CA C 55 59.870 59.870 58.430 1.440 18681 1000 1 2 . 1 1 55 55 GLU CB C 55 28.759 28.759 29.696 -0.937 18681 1001 1 2 . 1 1 55 55 GLU H H 55 9.352 9.352 8.554 0.798 18681 1002 1 2 . 1 1 56 56 CYS N N 56 119.066 119.066 118.932 0.134 18681 1003 1 2 . 1 1 56 56 CYS HA H 56 3.759 3.759 3.973 -0.214 18681 1004 1 2 . 1 1 56 56 CYS CA C 56 63.167 63.167 62.901 0.266 18681 1005 1 2 . 1 1 56 56 CYS CB C 56 26.891 26.891 27.127 -0.236 18681 1006 1 2 . 1 1 56 56 CYS H H 56 7.126 7.126 8.307 -1.181 18681 1007 1 2 . 1 1 57 57 ARG N N 57 119.779 119.779 120.862 -1.083 18681 1008 1 2 . 1 1 57 57 ARG HA H 57 3.876 3.876 3.853 0.023 18681 1009 1 2 . 1 1 57 57 ARG CA C 57 60.025 60.025 59.829 0.196 18681 1010 1 2 . 1 1 57 57 ARG H H 57 8.252 8.252 8.980 -0.728 18681 1011 1 2 . 1 1 58 58 LYS N N 58 119.155 119.155 118.375 0.780 18681 1012 1 2 . 1 1 58 58 LYS HA H 58 4.056 4.056 3.955 0.101 18681 1013 1 2 . 1 1 58 58 LYS CA C 58 59.205 59.205 59.518 -0.313 18681 1014 1 2 . 1 1 58 58 LYS CB C 58 32.127 32.127 32.151 -0.024 18681 1015 1 2 . 1 1 58 58 LYS H H 58 8.394 8.394 7.714 0.680 18681 1016 1 2 . 1 1 59 59 PHE N N 59 119.989 119.989 120.792 -0.803 18681 1017 1 2 . 1 1 59 59 PHE HA H 59 3.748 3.748 4.087 -0.339 18681 1018 1 2 . 1 1 59 59 PHE CA C 59 63.103 63.103 61.108 1.995 18681 1019 1 2 . 1 1 59 59 PHE CB C 59 39.644 39.644 38.684 0.960 18681 1020 1 2 . 1 1 59 59 PHE H H 59 7.720 7.720 7.788 -0.068 18681 1021 1 2 . 1 1 60 60 LEU N N 60 117.203 117.203 119.071 -1.868 18681 1022 1 2 . 1 1 60 60 LEU HA H 60 3.991 3.991 3.602 0.389 18681 1023 1 2 . 1 1 60 60 LEU CA C 60 57.969 57.969 58.169 -0.200 18681 1024 1 2 . 1 1 60 60 LEU CB C 60 41.187 41.187 41.448 -0.261 18681 1025 1 2 . 1 1 60 60 LEU H H 60 8.685 8.685 8.219 0.466 18681 1026 1 2 . 1 1 61 61 SER N N 61 114.724 114.724 114.665 0.059 18681 1027 1 2 . 1 1 61 61 SER HA H 61 4.188 4.188 4.036 0.152 18681 1028 1 2 . 1 1 61 61 SER CA C 61 61.650 61.650 61.765 -0.115 18681 1029 1 2 . 1 1 61 61 SER CB C 61 62.589 62.589 62.914 -0.325 18681 1030 1 2 . 1 1 61 61 SER H H 61 8.107 8.107 8.447 -0.340 18681 1031 1 2 . 1 1 62 62 LYS N N 62 120.164 120.164 122.027 -1.863 18681 1032 1 2 . 1 1 62 62 LYS HA H 62 4.147 4.147 3.966 0.181 18681 1033 1 2 . 1 1 62 62 LYS CA C 62 57.139 57.139 59.066 -1.927 18681 1034 1 2 . 1 1 62 62 LYS CB C 62 30.881 30.881 32.071 -1.190 18681 1035 1 2 . 1 1 62 62 LYS H H 62 7.541 7.541 8.137 -0.596 18681 1036 1 2 . 1 1 63 63 LEU N N 63 123.446 123.446 121.316 2.130 18681 1037 1 2 . 1 1 63 63 LEU HA H 63 3.926 3.926 3.843 0.083 18681 1038 1 2 . 1 1 63 63 LEU CA C 63 57.709 57.709 57.715 -0.006 18681 1039 1 2 . 1 1 63 63 LEU CB C 63 41.222 41.222 41.306 -0.083 18681 1040 1 2 . 1 1 63 63 LEU H H 63 8.238 8.238 8.126 0.112 18681 1041 1 2 . 1 1 64 64 MET N N 64 120.864 120.864 117.939 2.925 18681 1042 1 2 . 1 1 64 64 MET HA H 64 4.143 4.143 4.063 0.080 18681 1043 1 2 . 1 1 64 64 MET CA C 64 58.644 58.644 58.447 0.197 18681 1044 1 2 . 1 1 64 64 MET CB C 64 31.625 31.625 31.447 0.178 18681 1045 1 2 . 1 1 64 64 MET H H 64 8.608 8.608 8.072 0.536 18681 1046 1 2 . 1 1 65 65 ASP N N 65 119.121 119.121 119.694 -0.573 18681 1047 1 2 . 1 1 65 65 ASP HA H 65 4.373 4.373 4.352 0.021 18681 1048 1 2 . 1 1 65 65 ASP CA C 65 57.390 57.390 57.627 -0.237 18681 1049 1 2 . 1 1 65 65 ASP CB C 65 39.956 39.956 40.405 -0.449 18681 1050 1 2 . 1 1 65 65 ASP H H 65 7.857 7.857 8.233 -0.376 18681 1051 1 2 . 1 1 66 66 GLN N N 66 119.748 119.748 119.216 0.532 18681 1052 1 2 . 1 1 66 66 GLN HA H 66 4.084 4.084 4.001 0.083 18681 1053 1 2 . 1 1 66 66 GLN CB C 66 28.222 28.222 28.799 -0.577 18681 1054 1 2 . 1 1 66 66 GLN H H 66 7.703 7.703 7.720 -0.017 18681 1055 1 2 . 1 1 67 67 LEU N N 67 120.349 120.349 120.691 -0.342 18681 1056 1 2 . 1 1 67 67 LEU HA H 67 3.890 3.890 3.890 -0.000 18681 1057 1 2 . 1 1 67 67 LEU CA C 67 58.914 58.914 58.416 0.498 18681 1058 1 2 . 1 1 67 67 LEU H H 67 8.356 8.356 7.738 0.618 18681 1059 1 2 . 1 1 68 68 GLU N N 68 118.268 118.268 119.104 -0.836 18681 1060 1 2 . 1 1 68 68 GLU HA H 68 4.018 4.018 4.010 0.008 18681 1061 1 2 . 1 1 68 68 GLU CA C 68 59.174 59.174 59.068 0.106 18681 1062 1 2 . 1 1 68 68 GLU CB C 68 29.419 29.419 28.651 0.768 18681 1063 1 2 . 1 1 68 68 GLU H H 68 8.547 8.547 7.941 0.606 18681 1064 1 2 . 1 1 69 69 ALA N N 69 122.349 122.349 122.929 -0.580 18681 1065 1 2 . 1 1 69 69 ALA HA H 69 4.126 4.126 4.140 -0.014 18681 1066 1 2 . 1 1 69 69 ALA CA C 69 54.937 54.937 54.931 0.006 18681 1067 1 2 . 1 1 69 69 ALA CB C 69 18.147 18.147 18.194 -0.047 18681 1068 1 2 . 1 1 69 69 ALA H H 69 7.853 7.853 7.663 0.190 18681 1069 1 2 . 1 1 70 70 LEU N N 70 120.257 120.257 119.300 0.957 18681 1070 1 2 . 1 1 70 70 LEU HA H 70 4.016 4.016 4.018 -0.002 18681 1071 1 2 . 1 1 70 70 LEU CA C 70 57.750 57.750 58.206 -0.457 18681 1072 1 2 . 1 1 70 70 LEU CB C 70 42.623 42.623 41.111 1.512 18681 1073 1 2 . 1 1 70 70 LEU H H 70 8.553 8.553 7.835 0.718 18681 1074 1 2 . 1 1 71 71 LYS HA H 71 3.431 3.431 3.796 -0.365 18681 1075 1 2 . 1 1 71 71 LYS CB C 71 32.132 32.132 32.307 -0.175 18681 1076 1 2 . 1 1 71 71 LYS H H 71 8.636 8.636 7.918 0.718 18681 1077 1 2 . 1 1 72 72 LYS N N 72 117.417 117.417 118.855 -1.438 18681 1078 1 2 . 1 1 72 72 LYS HA H 72 4.007 4.007 4.024 -0.017 18681 1079 1 2 . 1 1 72 72 LYS CA C 72 58.936 58.936 58.740 0.196 18681 1080 1 2 . 1 1 72 72 LYS H H 72 7.620 7.620 7.738 -0.118 18681 1081 1 2 . 1 1 73 73 GLN N N 73 119.180 119.180 118.470 0.710 18681 1082 1 2 . 1 1 73 73 GLN HA H 73 4.027 4.027 4.077 -0.050 18681 1083 1 2 . 1 1 73 73 GLN CA C 73 58.084 58.084 58.435 -0.351 18681 1084 1 2 . 1 1 73 73 GLN CB C 73 29.044 29.044 28.818 0.226 18681 1085 1 2 . 1 1 73 73 GLN H H 73 7.798 7.798 7.861 -0.063 18681 1086 1 2 . 1 1 74 74 LEU N N 74 118.230 118.230 116.094 2.136 18681 1087 1 2 . 1 1 74 74 LEU HA H 74 4.258 4.258 4.293 -0.035 18681 1088 1 2 . 1 1 74 74 LEU CA C 74 55.050 55.050 55.498 -0.448 18681 1089 1 2 . 1 1 74 74 LEU CB C 74 42.380 42.380 42.822 -0.442 18681 1090 1 2 . 1 1 74 74 LEU H H 74 8.050 8.050 7.873 0.177 18681 1091 1 2 . 1 1 75 75 GLY N N 75 106.441 106.441 108.095 -1.654 18681 1092 1 2 . 1 1 75 75 GLY CA C 75 47.098 47.098 46.383 0.715 18681 1093 1 2 . 1 1 75 75 GLY H H 75 7.420 7.420 8.570 -1.150 18681 1094 1 2 . 1 1 76 76 ASP N N 76 121.520 121.520 126.854 -5.334 18681 1095 1 2 . 1 1 76 76 ASP HA H 76 4.533 4.533 4.811 -0.278 18681 1096 1 2 . 1 1 76 76 ASP CA C 76 53.148 53.148 53.458 -0.310 18681 1097 1 2 . 1 1 76 76 ASP CB C 76 39.714 39.714 39.787 -0.073 18681 1098 1 2 . 1 1 76 76 ASP H H 76 8.332 8.332 8.234 0.098 18681 1099 1 2 . 1 1 77 77 ASN N N 77 121.250 121.250 121.121 0.129 18681 1100 1 2 . 1 1 77 77 ASN HA H 77 4.489 4.489 4.887 -0.398 18681 1101 1 2 . 1 1 77 77 ASN CA C 77 54.063 54.063 51.712 2.351 18681 1102 1 2 . 1 1 77 77 ASN CB C 77 40.058 40.058 41.657 -1.599 18681 1103 1 2 . 1 1 77 77 ASN H H 77 7.725 7.725 7.833 -0.108 18681 1104 1 2 . 1 1 78 78 GLU N N 78 129.390 129.390 126.424 2.966 18681 1105 1 2 . 1 1 78 78 GLU HA H 78 4.225 4.225 3.995 0.230 18681 1106 1 2 . 1 1 78 78 GLU CA C 78 58.888 58.888 60.179 -1.291 18681 1107 1 2 . 1 1 78 78 GLU CB C 78 29.698 29.698 29.965 -0.267 18681 1108 1 2 . 1 1 78 78 GLU H H 78 9.282 9.282 9.043 0.239 18681 1109 1 2 . 1 1 79 79 ALA N N 79 116.576 116.576 122.265 -5.689 18681 1110 1 2 . 1 1 79 79 ALA HA H 79 4.079 4.079 4.202 -0.123 18681 1111 1 2 . 1 1 79 79 ALA CA C 79 53.222 53.222 55.308 -2.086 18681 1112 1 2 . 1 1 79 79 ALA CB C 79 19.347 19.347 18.616 0.732 18681 1113 1 2 . 1 1 79 79 ALA H H 79 8.285 8.285 8.170 0.115 18681 1114 1 2 . 1 1 80 80 ILE N N 80 116.410 116.410 116.597 -0.187 18681 1115 1 2 . 1 1 80 80 ILE HA H 80 4.043 4.043 3.722 0.321 18681 1116 1 2 . 1 1 80 80 ILE CA C 80 59.695 59.695 63.819 -4.124 18681 1117 1 2 . 1 1 80 80 ILE CB C 80 36.642 36.642 37.320 -0.678 18681 1118 1 2 . 1 1 80 80 ILE H H 80 7.857 7.857 7.803 0.054 18681 1119 1 2 . 1 1 81 81 THR N N 81 110.649 110.649 110.204 0.445 18681 1120 1 2 . 1 1 81 81 THR HA H 81 4.079 4.079 4.127 -0.048 18681 1121 1 2 . 1 1 81 81 THR CA C 81 63.509 63.509 63.649 -0.140 18681 1122 1 2 . 1 1 81 81 THR CB C 81 68.764 68.764 69.524 -0.760 18681 1123 1 2 . 1 1 81 81 THR H H 81 7.869 7.869 7.983 -0.114 18681 1124 1 2 . 1 1 82 82 GLN N N 82 120.522 120.522 122.055 -1.533 18681 1125 1 2 . 1 1 82 82 GLN HA H 82 4.743 4.743 4.620 0.123 18681 1126 1 2 . 1 1 82 82 GLN CB C 82 29.184 29.184 29.801 -0.617 18681 1127 1 2 . 1 1 82 82 GLN H H 82 8.016 8.016 8.024 -0.008 18681 1128 1 2 . 1 1 83 83 GLU N N 83 126.907 126.907 124.141 2.766 18681 1129 1 2 . 1 1 83 83 GLU HA H 83 4.011 4.011 4.315 -0.304 18681 1130 1 2 . 1 1 83 83 GLU CA C 83 60.736 60.736 59.350 1.386 18681 1131 1 2 . 1 1 83 83 GLU CB C 83 29.353 29.353 29.657 -0.304 18681 1132 1 2 . 1 1 83 83 GLU H H 83 9.146 9.146 8.990 0.156 18681 1133 1 2 . 1 1 84 84 ILE N N 84 115.693 115.693 116.438 -0.745 18681 1134 1 2 . 1 1 84 84 ILE HA H 84 3.764 3.764 3.896 -0.132 18681 1135 1 2 . 1 1 84 84 ILE CA C 84 63.908 63.908 64.319 -0.411 18681 1136 1 2 . 1 1 84 84 ILE CB C 84 37.762 37.762 37.076 0.686 18681 1137 1 2 . 1 1 84 84 ILE H H 84 8.460 8.460 7.777 0.683 18681 1138 1 2 . 1 1 85 85 VAL N N 85 123.415 123.415 121.252 2.163 18681 1139 1 2 . 1 1 85 85 VAL HA H 85 3.714 3.714 3.657 0.057 18681 1140 1 2 . 1 1 85 85 VAL CA C 85 65.226 65.226 66.306 -1.080 18681 1141 1 2 . 1 1 85 85 VAL CB C 85 31.142 31.142 31.321 -0.179 18681 1142 1 2 . 1 1 85 85 VAL H H 85 7.034 7.034 7.854 -0.820 18681 1143 1 2 . 1 1 86 86 GLY N N 86 110.422 110.422 107.063 3.359 18681 1144 1 2 . 1 1 86 86 GLY CA C 86 49.167 49.167 47.177 1.990 18681 1145 1 2 . 1 1 86 86 GLY H H 86 8.139 8.139 7.934 0.205 18681 1146 1 2 . 1 1 87 87 CYS N N 87 121.087 121.087 121.300 -0.213 18681 1147 1 2 . 1 1 87 87 CYS HA H 87 2.923 2.923 3.670 -0.747 18681 1148 1 2 . 1 1 87 87 CYS CA C 87 62.064 62.064 63.580 -1.516 18681 1149 1 2 . 1 1 87 87 CYS CB C 87 25.682 25.682 26.959 -1.277 18681 1150 1 2 . 1 1 87 87 CYS H H 87 8.052 8.052 8.121 -0.069 18681 1151 1 2 . 1 1 88 88 ALA N N 88 119.739 119.739 121.684 -1.945 18681 1152 1 2 . 1 1 88 88 ALA HA H 88 4.109 4.109 3.912 0.197 18681 1153 1 2 . 1 1 88 88 ALA CA C 88 54.895 54.895 54.898 -0.002 18681 1154 1 2 . 1 1 88 88 ALA CB C 88 17.680 17.680 17.940 -0.260 18681 1155 1 2 . 1 1 88 88 ALA H H 88 7.230 7.230 7.992 -0.762 18681 1156 1 2 . 1 1 89 89 HIS N N 89 118.056 118.056 119.244 -1.188 18681 1157 1 2 . 1 1 89 89 HIS HA H 89 4.172 4.172 4.229 -0.057 18681 1158 1 2 . 1 1 89 89 HIS CA C 89 59.587 59.587 60.297 -0.710 18681 1159 1 2 . 1 1 89 89 HIS CB C 89 30.446 30.446 30.088 0.358 18681 1160 1 2 . 1 1 89 89 HIS H H 89 8.190 8.190 7.819 0.371 18681 1161 1 2 . 1 1 90 90 LEU N N 90 120.375 120.375 119.446 0.929 18681 1162 1 2 . 1 1 90 90 LEU HA H 90 3.953 3.953 4.095 -0.142 18681 1163 1 2 . 1 1 90 90 LEU CA C 90 57.959 57.959 58.273 -0.314 18681 1164 1 2 . 1 1 90 90 LEU CB C 90 41.434 41.434 41.501 -0.067 18681 1165 1 2 . 1 1 90 90 LEU H H 90 8.115 8.115 8.079 0.036 18681 1166 1 2 . 1 1 91 91 GLU N N 91 119.711 119.711 119.645 0.066 18681 1167 1 2 . 1 1 91 91 GLU HA H 91 3.801 3.801 3.766 0.035 18681 1168 1 2 . 1 1 91 91 GLU CA C 91 60.130 60.130 59.984 0.146 18681 1169 1 2 . 1 1 91 91 GLU CB C 91 29.870 29.870 29.473 0.397 18681 1170 1 2 . 1 1 91 91 GLU H H 91 9.186 9.186 8.165 1.021 18681 1171 1 2 . 1 1 92 92 ASN N N 92 116.626 116.626 117.606 -0.980 18681 1172 1 2 . 1 1 92 92 ASN HA H 92 4.411 4.411 4.365 0.046 18681 1173 1 2 . 1 1 92 92 ASN CA C 92 56.280 56.280 56.140 0.140 18681 1174 1 2 . 1 1 92 92 ASN CB C 92 38.464 38.464 38.527 -0.063 18681 1175 1 2 . 1 1 92 92 ASN H H 92 8.392 8.392 8.016 0.376 18681 1176 1 2 . 1 1 93 93 TYR N N 93 121.123 121.123 120.629 0.494 18681 1177 1 2 . 1 1 93 93 TYR HA H 93 4.465 4.465 4.019 0.446 18681 1178 1 2 . 1 1 93 93 TYR CA C 93 59.339 59.339 61.191 -1.852 18681 1179 1 2 . 1 1 93 93 TYR CB C 93 38.593 38.593 38.196 0.397 18681 1180 1 2 . 1 1 93 93 TYR H H 93 7.742 7.742 7.680 0.062 18681 1181 1 2 . 1 1 94 94 ALA N N 94 120.589 120.589 121.443 -0.854 18681 1182 1 2 . 1 1 94 94 ALA HA H 94 3.742 3.742 4.016 -0.274 18681 1183 1 2 . 1 1 94 94 ALA CA C 94 55.340 55.340 55.246 0.094 18681 1184 1 2 . 1 1 94 94 ALA CB C 94 17.779 17.779 18.396 -0.617 18681 1185 1 2 . 1 1 94 94 ALA H H 94 8.811 8.811 8.134 0.677 18681 1186 1 2 . 1 1 95 95 LEU HA H 95 4.132 4.132 4.009 0.123 18681 1187 1 2 . 1 1 95 95 LEU CB C 95 40.964 40.964 40.845 0.119 18681 1188 1 2 . 1 1 95 95 LEU H H 95 8.345 8.345 7.913 0.431 18681 1189 1 2 . 1 1 96 96 LYS N N 96 119.704 119.704 119.670 0.034 18681 1190 1 2 . 1 1 96 96 LYS HA H 96 3.971 3.971 3.989 -0.018 18681 1191 1 2 . 1 1 96 96 LYS CA C 96 59.877 59.877 59.842 0.035 18681 1192 1 2 . 1 1 96 96 LYS CB C 96 32.096 32.096 32.240 -0.144 18681 1193 1 2 . 1 1 96 96 LYS H H 96 8.057 8.057 7.871 0.186 18681 1194 1 2 . 1 1 97 97 MET N N 97 119.269 119.269 118.643 0.626 18681 1195 1 2 . 1 1 97 97 MET HA H 97 4.146 4.146 4.253 -0.107 18681 1196 1 2 . 1 1 97 97 MET CA C 97 59.020 59.020 58.239 0.782 18681 1197 1 2 . 1 1 97 97 MET CB C 97 32.949 32.949 32.620 0.329 18681 1198 1 2 . 1 1 97 97 MET H H 97 7.791 7.791 7.781 0.010 18681 1199 1 2 . 1 1 98 98 PHE N N 98 120.493 120.493 121.415 -0.922 18681 1200 1 2 . 1 1 98 98 PHE HA H 98 3.686 3.686 3.694 -0.008 18681 1201 1 2 . 1 1 98 98 PHE CA C 98 62.257 62.257 62.234 0.023 18681 1202 1 2 . 1 1 98 98 PHE CB C 98 39.929 39.929 38.975 0.954 18681 1203 1 2 . 1 1 98 98 PHE H H 98 8.584 8.584 8.524 0.060 18681 1204 1 2 . 1 1 99 99 LEU N N 99 118.196 118.196 118.871 -0.675 18681 1205 1 2 . 1 1 99 99 LEU HA H 99 3.923 3.923 3.935 -0.012 18681 1206 1 2 . 1 1 99 99 LEU CA C 99 57.670 57.670 58.312 -0.642 18681 1207 1 2 . 1 1 99 99 LEU CB C 99 41.371 41.371 41.770 -0.399 18681 1208 1 2 . 1 1 99 99 LEU H H 99 9.148 9.148 8.408 0.740 18681 1209 1 2 . 1 1 100 100 TYR N N 100 119.695 119.695 120.296 -0.601 18681 1210 1 2 . 1 1 100 100 TYR HA H 100 4.179 4.179 3.905 0.274 18681 1211 1 2 . 1 1 100 100 TYR CA C 100 60.511 60.511 62.066 -1.555 18681 1212 1 2 . 1 1 100 100 TYR CB C 100 37.397 37.397 38.229 -0.832 18681 1213 1 2 . 1 1 100 100 TYR H H 100 7.699 7.699 7.950 -0.251 18681 1214 1 2 . 1 1 101 101 ALA N N 101 123.078 123.078 121.335 1.743 18681 1215 1 2 . 1 1 101 101 ALA HA H 101 2.916 2.916 3.870 -0.954 18681 1216 1 2 . 1 1 101 101 ALA CA C 101 55.042 55.042 54.789 0.253 18681 1217 1 2 . 1 1 101 101 ALA CB C 101 16.049 16.049 17.544 -1.495 18681 1218 1 2 . 1 1 101 101 ALA H H 101 7.385 7.385 8.186 -0.801 18681 1219 1 2 . 1 1 102 102 ASP N N 102 117.073 117.073 118.576 -1.503 18681 1220 1 2 . 1 1 102 102 ASP HA H 102 4.287 4.287 4.389 -0.102 18681 1221 1 2 . 1 1 102 102 ASP CA C 102 57.049 57.049 57.033 0.016 18681 1222 1 2 . 1 1 102 102 ASP CB C 102 42.898 42.898 40.759 2.139 18681 1223 1 2 . 1 1 102 102 ASP H H 102 8.539 8.539 7.732 0.807 18681 1224 1 2 . 1 1 103 103 ASN N N 103 116.630 116.630 118.047 -1.417 18681 1225 1 2 . 1 1 103 103 ASN HA H 103 4.264 4.264 4.354 -0.090 18681 1226 1 2 . 1 1 103 103 ASN CA C 103 56.386 56.386 55.851 0.535 18681 1227 1 2 . 1 1 103 103 ASN CB C 103 38.332 38.332 38.212 0.120 18681 1228 1 2 . 1 1 103 103 ASN H H 103 7.970 7.970 8.350 -0.380 18681 1229 1 2 . 1 1 104 104 GLU N N 104 118.811 118.811 120.054 -1.243 18681 1230 1 2 . 1 1 104 104 GLU HA H 104 3.619 3.619 3.796 -0.177 18681 1231 1 2 . 1 1 104 104 GLU CA C 104 58.982 58.982 59.092 -0.110 18681 1232 1 2 . 1 1 104 104 GLU H H 104 7.474 7.474 7.899 -0.425 18681 1233 1 2 . 1 1 105 105 ASP N N 105 120.013 120.013 119.768 0.245 18681 1234 1 2 . 1 1 105 105 ASP HA H 105 3.818 3.818 4.310 -0.492 18681 1235 1 2 . 1 1 105 105 ASP CA C 105 57.508 57.508 57.058 0.450 18681 1236 1 2 . 1 1 105 105 ASP CB C 105 43.738 43.738 41.135 2.603 18681 1237 1 2 . 1 1 105 105 ASP H H 105 8.212 8.212 7.738 0.474 18681 1238 1 2 . 1 1 106 106 ARG N N 106 116.747 116.747 119.838 -3.091 18681 1239 1 2 . 1 1 106 106 ARG HA H 106 3.804 3.804 4.157 -0.353 18681 1240 1 2 . 1 1 106 106 ARG CA C 106 59.150 59.150 58.016 1.135 18681 1241 1 2 . 1 1 106 106 ARG CB C 106 30.083 30.083 30.153 -0.070 18681 1242 1 2 . 1 1 106 106 ARG H H 106 8.532 8.532 7.879 0.653 18681 1243 1 2 . 1 1 107 107 ALA N N 107 119.388 119.388 119.235 0.153 18681 1244 1 2 . 1 1 107 107 ALA HA H 107 4.232 4.232 4.143 0.089 18681 1245 1 2 . 1 1 107 107 ALA CA C 107 51.407 51.407 52.679 -1.272 18681 1246 1 2 . 1 1 107 107 ALA CB C 107 18.572 18.572 18.794 -0.222 18681 1247 1 2 . 1 1 107 107 ALA H H 107 7.302 7.302 7.459 -0.157 18681 1248 1 2 . 1 1 108 108 GLY N N 108 108.840 108.840 106.532 2.308 18681 1249 1 2 . 1 1 108 108 GLY CA C 108 45.735 45.735 44.697 1.038 18681 1250 1 2 . 1 1 108 108 GLY H H 108 7.905 7.905 7.612 0.293 18681 1251 1 2 . 1 1 109 109 ARG N N 109 121.140 121.140 119.723 1.417 18681 1252 1 2 . 1 1 109 109 ARG HA H 109 4.126 4.126 4.379 -0.253 18681 1253 1 2 . 1 1 109 109 ARG CA C 109 55.361 55.361 54.547 0.814 18681 1254 1 2 . 1 1 109 109 ARG H H 109 7.642 7.642 7.036 0.606 18681 1255 1 2 . 1 1 110 110 PHE N N 110 119.534 119.534 118.722 0.812 18681 1256 1 2 . 1 1 110 110 PHE HA H 110 4.950 4.950 4.921 0.029 18681 1257 1 2 . 1 1 110 110 PHE CA C 110 55.415 55.415 57.034 -1.619 18681 1258 1 2 . 1 1 110 110 PHE H H 110 7.644 7.644 8.407 -0.763 18681 1259 1 2 . 1 1 111 111 HIS N N 111 116.408 116.408 120.289 -3.881 18681 1260 1 2 . 1 1 111 111 HIS HA H 111 4.757 4.757 4.866 -0.109 18681 1261 1 2 . 1 1 111 111 HIS CB C 111 32.022 32.022 34.128 -2.106 18681 1262 1 2 . 1 1 111 111 HIS H H 111 6.789 6.789 8.572 -1.783 18681 1263 1 2 . 1 1 112 112 LYS N N 112 119.836 119.836 121.518 -1.682 18681 1264 1 2 . 1 1 112 112 LYS HA H 112 4.059 4.059 4.003 0.056 18681 1265 1 2 . 1 1 112 112 LYS H H 112 8.267 8.267 8.880 -0.613 18681 1266 1 2 . 1 1 113 113 ASN N N 113 118.047 118.047 117.550 0.497 18681 1267 1 2 . 1 1 113 113 ASN HA H 113 4.737 4.737 4.518 0.219 18681 1268 1 2 . 1 1 113 113 ASN CB C 113 38.295 38.295 37.180 1.115 18681 1269 1 2 . 1 1 113 113 ASN H H 113 8.831 8.831 8.339 0.492 18681 1270 1 2 . 1 1 114 114 MET N N 114 119.081 119.081 121.217 -2.136 18681 1271 1 2 . 1 1 114 114 MET HA H 114 4.379 4.379 4.319 0.060 18681 1272 1 2 . 1 1 114 114 MET CA C 114 58.194 58.194 59.391 -1.196 18681 1273 1 2 . 1 1 114 114 MET H H 114 8.520 8.520 7.901 0.619 18681 1274 1 2 . 1 1 115 115 ILE N N 115 125.193 125.193 119.865 5.328 18681 1275 1 2 . 1 1 115 115 ILE HA H 115 3.651 3.651 3.705 -0.054 18681 1276 1 2 . 1 1 115 115 ILE CA C 115 66.869 66.869 65.544 1.325 18681 1277 1 2 . 1 1 115 115 ILE CB C 115 39.162 39.162 37.582 1.580 18681 1278 1 2 . 1 1 115 115 ILE H H 115 7.737 7.737 7.794 -0.057 18681 1279 1 2 . 1 1 116 116 LYS N N 116 118.190 118.190 120.232 -2.042 18681 1280 1 2 . 1 1 116 116 LYS HA H 116 4.150 4.150 3.977 0.173 18681 1281 1 2 . 1 1 116 116 LYS CA C 116 59.379 59.379 59.962 -0.583 18681 1282 1 2 . 1 1 116 116 LYS CB C 116 32.097 32.097 32.283 -0.186 18681 1283 1 2 . 1 1 116 116 LYS H H 116 8.393 8.393 8.032 0.361 18681 1284 1 2 . 1 1 117 117 SER N N 117 117.471 117.471 115.355 2.116 18681 1285 1 2 . 1 1 117 117 SER HA H 117 4.096 4.096 4.188 -0.092 18681 1286 1 2 . 1 1 117 117 SER CA C 117 63.167 63.167 62.040 1.127 18681 1287 1 2 . 1 1 117 117 SER CB C 117 63.135 63.135 63.042 0.093 18681 1288 1 2 . 1 1 117 117 SER H H 117 8.138 8.138 8.169 -0.031 18681 1289 1 2 . 1 1 118 118 PHE N N 118 121.885 121.885 121.424 0.461 18681 1290 1 2 . 1 1 118 118 PHE HA H 118 4.408 4.408 4.216 0.192 18681 1291 1 2 . 1 1 118 118 PHE CA C 118 61.176 61.176 61.481 -0.305 18681 1292 1 2 . 1 1 118 118 PHE CB C 118 38.889 38.889 38.976 -0.087 18681 1293 1 2 . 1 1 118 118 PHE H H 118 8.168 8.168 8.225 -0.057 18681 1294 1 2 . 1 1 119 119 TYR N N 119 118.356 118.356 120.468 -2.112 18681 1295 1 2 . 1 1 119 119 TYR HA H 119 3.935 3.935 4.103 -0.168 18681 1296 1 2 . 1 1 119 119 TYR CA C 119 62.261 62.261 62.241 0.020 18681 1297 1 2 . 1 1 119 119 TYR CB C 119 38.498 38.498 38.117 0.382 18681 1298 1 2 . 1 1 119 119 TYR H H 119 8.693 8.693 8.883 -0.190 18681 1299 1 2 . 1 1 120 120 THR N N 120 117.468 117.468 116.282 1.186 18681 1300 1 2 . 1 1 120 120 THR HA H 120 3.705 3.705 3.816 -0.111 18681 1301 1 2 . 1 1 120 120 THR CA C 120 67.393 67.393 67.089 0.304 18681 1302 1 2 . 1 1 120 120 THR CB C 120 68.041 68.041 68.167 -0.126 18681 1303 1 2 . 1 1 120 120 THR H H 120 9.582 9.582 8.271 1.311 18681 1304 1 2 . 1 1 121 121 ALA N N 121 124.210 124.210 124.482 -0.272 18681 1305 1 2 . 1 1 121 121 ALA HA H 121 3.940 3.940 3.960 -0.020 18681 1306 1 2 . 1 1 121 121 ALA CA C 121 56.508 56.508 55.304 1.204 18681 1307 1 2 . 1 1 121 121 ALA CB C 121 17.325 17.325 18.097 -0.772 18681 1308 1 2 . 1 1 121 121 ALA H H 121 8.444 8.444 7.771 0.673 18681 1309 1 2 . 1 1 122 122 SER N N 122 111.334 111.334 115.307 -3.973 18681 1310 1 2 . 1 1 122 122 SER HA H 122 4.009 4.009 4.101 -0.092 18681 1311 1 2 . 1 1 122 122 SER CA C 122 62.531 62.531 61.907 0.624 18681 1312 1 2 . 1 1 122 122 SER CB C 122 63.051 63.051 63.064 -0.013 18681 1313 1 2 . 1 1 122 122 SER H H 122 7.724 7.724 7.975 -0.251 18681 1314 1 2 . 1 1 123 123 LEU N N 123 122.307 122.307 122.529 -0.222 18681 1315 1 2 . 1 1 123 123 LEU HA H 123 4.092 4.092 3.992 0.100 18681 1316 1 2 . 1 1 123 123 LEU CA C 123 57.100 57.100 57.645 -0.545 18681 1317 1 2 . 1 1 123 123 LEU CB C 123 41.615 41.615 41.665 -0.050 18681 1318 1 2 . 1 1 123 123 LEU H H 123 7.507 7.507 7.536 -0.029 18681 1319 1 2 . 1 1 124 124 LEU N N 124 117.851 117.851 120.554 -2.703 18681 1320 1 2 . 1 1 124 124 LEU HA H 124 3.935 3.935 4.008 -0.073 18681 1321 1 2 . 1 1 124 124 LEU CA C 124 56.967 56.967 57.963 -0.996 18681 1322 1 2 . 1 1 124 124 LEU CB C 124 41.832 41.832 42.022 -0.190 18681 1323 1 2 . 1 1 124 124 LEU H H 124 8.457 8.457 8.136 0.321 18681 1324 1 2 . 1 1 125 125 ILE N N 125 118.695 118.695 119.923 -1.228 18681 1325 1 2 . 1 1 125 125 ILE HA H 125 3.718 3.718 3.435 0.283 18681 1326 1 2 . 1 1 125 125 ILE CA C 125 65.097 65.097 65.868 -0.771 18681 1327 1 2 . 1 1 125 125 ILE CB C 125 36.775 36.775 37.524 -0.749 18681 1328 1 2 . 1 1 125 125 ILE H H 125 7.766 7.766 8.311 -0.545 18681 1329 1 2 . 1 1 126 126 ASP N N 126 117.428 117.428 120.180 -2.752 18681 1330 1 2 . 1 1 126 126 ASP HA H 126 4.128 4.128 4.244 -0.116 18681 1331 1 2 . 1 1 126 126 ASP CA C 126 57.998 57.998 57.179 0.819 18681 1332 1 2 . 1 1 126 126 ASP CB C 126 39.372 39.372 40.003 -0.631 18681 1333 1 2 . 1 1 126 126 ASP H H 126 7.288 7.288 7.694 -0.406 18681 1334 1 2 . 1 1 127 127 VAL N N 127 120.003 120.003 117.432 2.571 18681 1335 1 2 . 1 1 127 127 VAL HA H 127 2.992 2.992 3.668 -0.676 18681 1336 1 2 . 1 1 127 127 VAL CA C 127 65.615 65.615 65.388 0.227 18681 1337 1 2 . 1 1 127 127 VAL CB C 127 30.498 30.498 31.860 -1.362 18681 1338 1 2 . 1 1 127 127 VAL H H 127 7.366 7.366 7.385 -0.019 18681 1339 1 2 . 1 1 128 128 ILE N N 128 117.743 117.743 116.589 1.154 18681 1340 1 2 . 1 1 128 128 ILE HA H 128 3.956 3.956 4.046 -0.090 18681 1341 1 2 . 1 1 128 128 ILE CA C 128 64.219 64.219 63.108 1.111 18681 1342 1 2 . 1 1 128 128 ILE CB C 128 37.930 37.930 38.431 -0.501 18681 1343 1 2 . 1 1 128 128 ILE H H 128 7.727 7.727 7.413 0.314 18681 1344 1 2 . 1 1 129 129 THR N N 129 114.535 114.535 115.906 -1.371 18681 1345 1 2 . 1 1 129 129 THR HA H 129 4.638 4.638 4.120 0.518 18681 1346 1 2 . 1 1 129 129 THR CA C 129 64.808 64.808 66.278 -1.470 18681 1347 1 2 . 1 1 129 129 THR CB C 129 69.759 69.759 68.606 1.153 18681 1348 1 2 . 1 1 129 129 THR H H 129 7.873 7.873 8.044 -0.171 18681 1349 1 2 . 1 1 130 130 VAL N N 130 118.351 118.351 118.424 -0.073 18681 1350 1 2 . 1 1 130 130 VAL HA H 130 4.014 4.014 3.846 0.168 18681 1351 1 2 . 1 1 130 130 VAL CA C 130 64.220 64.220 65.106 -0.886 18681 1352 1 2 . 1 1 130 130 VAL CB C 130 31.307 31.307 30.655 0.651 18681 1353 1 2 . 1 1 130 130 VAL H H 130 8.381 8.381 7.706 0.675 18681 1354 1 2 . 1 1 131 131 PHE N N 131 117.227 117.227 120.877 -3.650 18681 1355 1 2 . 1 1 131 131 PHE HA H 131 4.567 4.567 4.317 0.250 18681 1356 1 2 . 1 1 131 131 PHE CA C 131 57.840 57.840 60.762 -2.922 18681 1357 1 2 . 1 1 131 131 PHE CB C 131 39.029 39.029 39.276 -0.247 18681 1358 1 2 . 1 1 131 131 PHE H H 131 7.638 7.638 7.940 -0.302 18681 1359 1 2 . 1 1 132 132 GLY N N 132 106.811 106.811 104.759 2.052 18681 1360 1 2 . 1 1 132 132 GLY CA C 132 43.921 43.921 45.065 -1.144 18681 1361 1 2 . 1 1 132 132 GLY H H 132 7.433 7.433 8.082 -0.649 18681 1362 1 2 . 1 1 133 133 GLU N N 133 119.340 119.340 120.957 -1.617 18681 1363 1 2 . 1 1 133 133 GLU HA H 133 4.082 4.082 4.588 -0.506 18681 1364 1 2 . 1 1 133 133 GLU CA C 133 56.504 56.504 55.289 1.215 18681 1365 1 2 . 1 1 133 133 GLU CB C 133 30.184 30.184 30.157 0.027 18681 1366 1 2 . 1 1 133 133 GLU H H 133 8.278 8.278 8.311 -0.033 18681 1367 1 2 . 1 1 134 134 LEU N N 134 122.134 122.134 126.539 -4.405 18681 1368 1 2 . 1 1 134 134 LEU HA H 134 4.405 4.405 4.654 -0.249 18681 1369 1 2 . 1 1 134 134 LEU CA C 134 54.169 54.169 54.296 -0.127 18681 1370 1 2 . 1 1 134 134 LEU CB C 134 43.997 43.997 43.724 0.274 18681 1371 1 2 . 1 1 134 134 LEU H H 134 8.410 8.410 8.408 0.002 18681 1372 1 2 . 1 1 135 135 THR N N 135 112.032 112.032 117.372 -5.340 18681 1373 1 2 . 1 1 135 135 THR HA H 135 4.220 4.220 4.437 -0.217 18681 1374 1 2 . 1 1 135 135 THR CA C 135 60.449 60.449 60.611 -0.162 18681 1375 1 2 . 1 1 135 135 THR CB C 135 70.386 70.386 71.055 -0.669 18681 1376 1 2 . 1 1 135 135 THR H H 135 8.192 8.192 8.141 0.051 18681 1377 1 2 . 1 1 136 136 ASP N N 136 121.429 121.429 125.430 -4.001 18681 1378 1 2 . 1 1 136 136 ASP HA H 136 4.191 4.191 4.250 -0.059 18681 1379 1 2 . 1 1 136 136 ASP CA C 136 57.415 57.415 57.206 0.209 18681 1380 1 2 . 1 1 136 136 ASP CB C 136 40.518 40.518 40.400 0.118 18681 1381 1 2 . 1 1 136 136 ASP H H 136 8.793 8.793 8.749 0.044 18681 1382 1 2 . 1 1 137 137 GLU N N 137 117.727 117.727 120.539 -2.812 18681 1383 1 2 . 1 1 137 137 GLU HA H 137 3.670 3.670 3.624 0.046 18681 1384 1 2 . 1 1 137 137 GLU CA C 137 59.503 59.503 59.920 -0.417 18681 1385 1 2 . 1 1 137 137 GLU CB C 137 29.175 29.175 29.108 0.067 18681 1386 1 2 . 1 1 137 137 GLU H H 137 8.427 8.427 7.795 0.632 18681 1387 1 2 . 1 1 138 138 ASN N N 138 118.528 118.528 116.517 2.011 18681 1388 1 2 . 1 1 138 138 ASN HA H 138 4.488 4.488 4.249 0.239 18681 1389 1 2 . 1 1 138 138 ASN CA C 138 55.536 55.536 55.493 0.043 18681 1390 1 2 . 1 1 138 138 ASN CB C 138 37.903 37.903 38.250 -0.347 18681 1391 1 2 . 1 1 138 138 ASN H H 138 7.504 7.504 8.285 -0.781 18681 1392 1 2 . 1 1 139 139 VAL N N 139 122.269 122.269 120.711 1.558 18681 1393 1 2 . 1 1 139 139 VAL HA H 139 3.383 3.383 3.545 -0.162 18681 1394 1 2 . 1 1 139 139 VAL CA C 139 67.168 67.168 66.411 0.757 18681 1395 1 2 . 1 1 139 139 VAL CB C 139 31.765 31.765 31.237 0.528 18681 1396 1 2 . 1 1 139 139 VAL H H 139 8.249 8.249 7.621 0.628 18681 1397 1 2 . 1 1 140 140 LYS HA H 140 3.947 3.947 3.987 -0.040 18681 1398 1 2 . 1 1 140 140 LYS CA C 140 59.691 59.691 59.958 -0.267 18681 1399 1 2 . 1 1 140 140 LYS CB C 140 32.044 32.044 32.137 -0.093 18681 1400 1 2 . 1 1 140 140 LYS H H 140 7.994 7.994 8.545 -0.551 18681 1401 1 2 . 1 1 141 141 HIS N N 141 117.389 117.389 117.745 -0.356 18681 1402 1 2 . 1 1 141 141 HIS HA H 141 4.296 4.296 4.648 -0.352 18681 1403 1 2 . 1 1 141 141 HIS CA C 141 57.657 57.657 58.079 -0.422 18681 1404 1 2 . 1 1 141 141 HIS CB C 141 28.500 28.500 29.361 -0.861 18681 1405 1 2 . 1 1 141 141 HIS H H 141 8.491 8.491 7.633 0.858 18681 1406 1 2 . 1 1 142 142 ARG HA H 142 3.728 3.728 4.015 -0.287 18681 1407 1 2 . 1 1 142 142 ARG CA C 142 61.356 61.356 60.101 1.255 18681 1408 1 2 . 1 1 142 142 ARG H H 142 8.529 8.529 8.013 0.516 18681 1409 1 2 . 1 1 143 143 LYS N N 143 117.710 117.710 118.380 -0.670 18681 1410 1 2 . 1 1 143 143 LYS HA H 143 4.050 4.050 3.655 0.395 18681 1411 1 2 . 1 1 143 143 LYS CA C 143 59.368 59.368 59.332 0.036 18681 1412 1 2 . 1 1 143 143 LYS CB C 143 32.794 32.794 32.213 0.581 18681 1413 1 2 . 1 1 143 143 LYS H H 143 7.664 7.664 7.721 -0.057 18681 1414 1 2 . 1 1 144 144 TYR HA H 144 4.275 4.275 4.303 -0.028 18681 1415 1 2 . 1 1 144 144 TYR CA C 144 62.445 62.445 61.773 0.672 18681 1416 1 2 . 1 1 144 144 TYR CB C 144 39.542 39.542 38.664 0.878 18681 1417 1 2 . 1 1 144 144 TYR H H 144 8.269 8.269 8.432 -0.163 18681 1418 1 2 . 1 1 145 145 ALA N N 145 118.744 118.744 121.025 -2.281 18681 1419 1 2 . 1 1 145 145 ALA HA H 145 3.667 3.667 3.333 0.334 18681 1420 1 2 . 1 1 145 145 ALA CA C 145 54.777 54.777 54.894 -0.117 18681 1421 1 2 . 1 1 145 145 ALA CB C 145 18.761 18.761 18.128 0.633 18681 1422 1 2 . 1 1 145 145 ALA H H 145 8.825 8.825 8.794 0.031 18681 1423 1 2 . 1 1 146 146 ARG N N 146 116.092 116.092 118.763 -2.671 18681 1424 1 2 . 1 1 146 146 ARG HA H 146 3.865 3.865 3.961 -0.096 18681 1425 1 2 . 1 1 146 146 ARG CA C 146 59.666 59.666 59.310 0.356 18681 1426 1 2 . 1 1 146 146 ARG CB C 146 30.400 30.400 29.424 0.976 18681 1427 1 2 . 1 1 146 146 ARG H H 146 8.024 8.024 7.830 0.194 18681 1428 1 2 . 1 1 147 147 TRP N N 147 119.666 119.666 119.553 0.113 18681 1429 1 2 . 1 1 147 147 TRP HA H 147 4.224 4.224 4.511 -0.287 18681 1430 1 2 . 1 1 147 147 TRP CA C 147 60.996 60.996 59.529 1.467 18681 1431 1 2 . 1 1 147 147 TRP CB C 147 28.593 28.593 28.774 -0.181 18681 1432 1 2 . 1 1 147 147 TRP H H 147 8.014 8.014 7.720 0.294 18681 1433 1 2 . 1 1 148 148 LYS N N 148 118.775 118.775 119.633 -0.858 18681 1434 1 2 . 1 1 148 148 LYS HA H 148 3.212 3.212 3.843 -0.631 18681 1435 1 2 . 1 1 148 148 LYS CA C 148 58.399 58.399 59.288 -0.889 18681 1436 1 2 . 1 1 148 148 LYS CB C 148 30.846 30.846 31.678 -0.832 18681 1437 1 2 . 1 1 148 148 LYS H H 148 8.619 8.619 7.993 0.626 18681 1438 1 2 . 1 1 149 149 ALA HA H 149 3.889 3.889 4.140 -0.251 18681 1439 1 2 . 1 1 149 149 ALA CA C 149 55.906 55.906 55.535 0.371 18681 1440 1 2 . 1 1 149 149 ALA CB C 149 18.443 18.443 18.312 0.131 18681 1441 1 2 . 1 1 149 149 ALA H H 149 7.813 7.813 8.502 -0.689 18681 1442 1 2 . 1 1 150 150 THR N N 150 112.174 112.174 116.690 -4.516 18681 1443 1 2 . 1 1 150 150 THR HA H 150 3.721 3.721 4.036 -0.315 18681 1444 1 2 . 1 1 150 150 THR CA C 150 66.282 66.282 68.005 -1.723 18681 1445 1 2 . 1 1 150 150 THR CB C 150 68.853 68.853 68.811 0.042 18681 1446 1 2 . 1 1 150 150 THR H H 150 7.232 7.232 7.753 -0.521 18681 1447 1 2 . 1 1 151 151 TYR N N 151 123.353 123.353 123.323 0.030 18681 1448 1 2 . 1 1 151 151 TYR HA H 151 4.005 4.005 4.147 -0.142 18681 1449 1 2 . 1 1 151 151 TYR CA C 151 60.334 60.334 61.985 -1.651 18681 1450 1 2 . 1 1 151 151 TYR CB C 151 38.246 38.246 38.238 0.008 18681 1451 1 2 . 1 1 151 151 TYR H H 151 8.513 8.513 8.676 -0.163 18681 1452 1 2 . 1 1 152 152 ILE N N 152 119.933 119.933 118.749 1.184 18681 1453 1 2 . 1 1 152 152 ILE HA H 152 2.789 2.789 3.270 -0.481 18681 1454 1 2 . 1 1 152 152 ILE CA C 152 65.885 65.885 65.776 0.109 18681 1455 1 2 . 1 1 152 152 ILE CB C 152 38.194 38.194 37.770 0.424 18681 1456 1 2 . 1 1 152 152 ILE H H 152 8.860 8.860 8.321 0.539 18681 1457 1 2 . 1 1 153 153 HIS N N 153 117.221 117.221 119.340 -2.119 18681 1458 1 2 . 1 1 153 153 HIS HA H 153 3.957 3.957 4.079 -0.122 18681 1459 1 2 . 1 1 153 153 HIS CA C 153 60.290 60.290 60.508 -0.217 18681 1460 1 2 . 1 1 153 153 HIS CB C 153 30.363 30.363 29.599 0.764 18681 1461 1 2 . 1 1 153 153 HIS H H 153 7.757 7.757 8.482 -0.725 18681 1462 1 2 . 1 1 154 154 ASN N N 154 117.429 117.429 117.687 -0.258 18681 1463 1 2 . 1 1 154 154 ASN HA H 154 4.124 4.124 4.251 -0.127 18681 1464 1 2 . 1 1 154 154 ASN CA C 154 55.977 55.977 55.731 0.246 18681 1465 1 2 . 1 1 154 154 ASN CB C 154 37.579 37.579 38.453 -0.874 18681 1466 1 2 . 1 1 154 154 ASN H H 154 8.355 8.355 8.471 -0.116 18681 1467 1 2 . 1 1 155 155 CYS N N 155 118.306 118.306 118.971 -0.665 18681 1468 1 2 . 1 1 155 155 CYS HA H 155 3.881 3.881 3.903 -0.022 18681 1469 1 2 . 1 1 155 155 CYS CA C 155 64.039 64.039 64.023 0.016 18681 1470 1 2 . 1 1 155 155 CYS CB C 155 26.124 26.124 26.287 -0.163 18681 1471 1 2 . 1 1 155 155 CYS H H 155 8.020 8.020 7.683 0.337 18681 1472 1 2 . 1 1 156 156 LEU N N 156 118.448 118.448 120.617 -2.169 18681 1473 1 2 . 1 1 156 156 LEU HA H 156 3.944 3.944 3.878 0.066 18681 1474 1 2 . 1 1 156 156 LEU CA C 156 57.844 57.844 58.000 -0.156 18681 1475 1 2 . 1 1 156 156 LEU CB C 156 40.196 40.196 41.504 -1.308 18681 1476 1 2 . 1 1 156 156 LEU H H 156 8.139 8.139 8.223 -0.084 18681 1477 1 2 . 1 1 157 157 LYS N N 157 120.180 120.180 118.987 1.193 18681 1478 1 2 . 1 1 157 157 LYS HA H 157 3.896 3.896 3.849 0.047 18681 1479 1 2 . 1 1 157 157 LYS CA C 157 58.474 58.474 58.742 -0.268 18681 1480 1 2 . 1 1 157 157 LYS CB C 157 31.852 31.852 32.092 -0.240 18681 1481 1 2 . 1 1 157 157 LYS H H 157 7.912 7.912 7.735 0.177 18681 1482 1 2 . 1 1 158 158 ASN N N 158 115.220 115.220 114.292 0.928 18681 1483 1 2 . 1 1 158 158 ASN HA H 158 4.730 4.730 4.672 0.058 18681 1484 1 2 . 1 1 158 158 ASN CB C 158 39.411 39.411 39.004 0.407 18681 1485 1 2 . 1 1 158 158 ASN H H 158 7.422 7.422 7.726 -0.304 18681 1486 1 2 . 1 1 159 159 GLY N N 159 108.815 108.815 107.786 1.029 18681 1487 1 2 . 1 1 159 159 GLY CA C 159 46.296 46.296 45.172 1.124 18681 1488 1 2 . 1 1 159 159 GLY H H 159 7.752 7.752 7.573 0.179 18681 1489 1 2 . 1 1 160 160 GLU N N 160 119.601 119.601 120.435 -0.834 18681 1490 1 2 . 1 1 160 160 GLU HA H 160 4.421 4.421 4.606 -0.185 18681 1491 1 2 . 1 1 160 160 GLU CA C 160 54.102 54.102 54.471 -0.369 18681 1492 1 2 . 1 1 160 160 GLU CB C 160 31.969 31.969 31.963 0.006 18681 1493 1 2 . 1 1 160 160 GLU H H 160 8.174 8.174 8.206 -0.032 18681 1494 1 2 . 1 1 161 161 THR N N 161 120.600 120.600 120.252 0.348 18681 1495 1 2 . 1 1 161 161 THR HA H 161 4.341 4.341 4.287 0.054 18681 1496 1 2 . 1 1 161 161 THR CB C 161 69.624 69.624 68.802 0.822 18681 1497 1 2 . 1 1 161 161 THR H H 161 8.714 8.714 8.170 0.544 18681 1498 1 2 . 1 1 162 162 PRO HA H 162 4.277 4.277 4.323 -0.046 18681 1499 1 2 . 1 1 162 162 PRO CA C 162 61.790 61.790 62.380 -0.590 18681 1500 1 2 . 1 1 162 162 PRO CB C 162 31.178 31.178 31.823 -0.645 18681 1501 1 3 . 1 1 2 2 ALA N N 2 125.894 125.894 123.530 2.364 18681 1502 1 3 . 1 1 2 2 ALA HA H 2 4.192 4.192 4.675 -0.483 18681 1503 1 3 . 1 1 2 2 ALA CA C 2 52.096 52.096 52.129 -0.033 18681 1504 1 3 . 1 1 2 2 ALA CB C 2 19.072 19.072 20.301 -1.229 18681 1505 1 3 . 1 1 2 2 ALA H H 2 8.413 8.413 8.317 0.096 18681 1506 1 3 . 1 1 3 3 ALA N N 3 123.543 123.543 124.151 -0.608 18681 1507 1 3 . 1 1 3 3 ALA HA H 3 4.226 4.226 4.718 -0.492 18681 1508 1 3 . 1 1 3 3 ALA CA C 3 51.943 51.943 51.517 0.425 18681 1509 1 3 . 1 1 3 3 ALA CB C 3 18.992 18.992 20.357 -1.365 18681 1510 1 3 . 1 1 3 3 ALA H H 3 8.233 8.233 8.145 0.088 18681 1511 1 3 . 1 1 4 4 LEU N N 4 121.641 121.641 122.635 -0.994 18681 1512 1 3 . 1 1 4 4 LEU HA H 4 4.284 4.284 4.514 -0.230 18681 1513 1 3 . 1 1 4 4 LEU CA C 4 53.885 53.885 53.955 -0.070 18681 1514 1 3 . 1 1 4 4 LEU CB C 4 42.307 42.307 42.491 -0.184 18681 1515 1 3 . 1 1 4 4 LEU H H 4 8.114 8.114 8.371 -0.257 18681 1516 1 3 . 1 1 5 5 ALA N N 5 128.329 128.329 125.929 2.400 18681 1517 1 3 . 1 1 5 5 ALA HA H 5 4.453 4.453 4.453 0.000 18681 1518 1 3 . 1 1 5 5 ALA CA C 5 50.164 50.164 50.298 -0.134 18681 1519 1 3 . 1 1 5 5 ALA CB C 5 17.687 17.687 18.329 -0.642 18681 1520 1 3 . 1 1 5 5 ALA H H 5 8.623 8.623 8.138 0.485 18681 1521 1 3 . 1 1 6 6 PRO HA H 6 4.274 4.274 4.407 -0.133 18681 1522 1 3 . 1 1 6 6 PRO CA C 6 62.403 62.403 62.742 -0.339 18681 1523 1 3 . 1 1 6 6 PRO CB C 6 32.105 32.105 32.389 -0.284 18681 1524 1 3 . 1 1 7 7 LEU N N 7 122.228 122.228 122.233 -0.005 18681 1525 1 3 . 1 1 7 7 LEU HA H 7 4.324 4.324 4.548 -0.224 18681 1526 1 3 . 1 1 7 7 LEU CA C 7 52.914 52.914 52.091 0.823 18681 1527 1 3 . 1 1 7 7 LEU CB C 7 40.952 40.952 41.127 -0.174 18681 1528 1 3 . 1 1 7 7 LEU H H 7 8.264 8.264 8.068 0.196 18681 1529 1 3 . 1 1 8 8 PRO HA H 8 4.745 4.745 4.496 0.249 18681 1530 1 3 . 1 1 9 9 PRO HA H 9 4.200 4.200 4.275 -0.075 18681 1531 1 3 . 1 1 9 9 PRO CA C 9 62.648 62.648 63.118 -0.470 18681 1532 1 3 . 1 1 9 9 PRO CB C 9 31.646 31.646 32.211 -0.565 18681 1533 1 3 . 1 1 10 10 LEU N N 10 125.824 125.824 124.336 1.488 18681 1534 1 3 . 1 1 10 10 LEU HA H 10 3.742 3.742 4.404 -0.662 18681 1535 1 3 . 1 1 10 10 LEU CA C 10 53.064 53.064 53.161 -0.097 18681 1536 1 3 . 1 1 10 10 LEU CB C 10 42.980 42.980 42.532 0.448 18681 1537 1 3 . 1 1 10 10 LEU H H 10 8.172 8.172 8.319 -0.147 18681 1538 1 3 . 1 1 11 11 PRO HA H 11 4.175 4.175 4.443 -0.268 18681 1539 1 3 . 1 1 11 11 PRO CA C 11 62.124 62.124 62.023 0.101 18681 1540 1 3 . 1 1 11 11 PRO CB C 11 32.442 32.442 32.618 -0.176 18681 1541 1 3 . 1 1 12 12 ALA N N 12 128.292 128.292 124.910 3.382 18681 1542 1 3 . 1 1 12 12 ALA HA H 12 3.920 3.920 4.011 -0.091 18681 1543 1 3 . 1 1 12 12 ALA CA C 12 55.057 55.057 54.468 0.590 18681 1544 1 3 . 1 1 12 12 ALA CB C 12 17.918 17.918 18.963 -1.045 18681 1545 1 3 . 1 1 12 12 ALA H H 12 8.851 8.851 8.462 0.389 18681 1546 1 3 . 1 1 13 13 GLN N N 13 115.075 115.075 118.336 -3.261 18681 1547 1 3 . 1 1 13 13 GLN HA H 13 4.024 4.024 4.128 -0.104 18681 1548 1 3 . 1 1 13 13 GLN CA C 13 58.436 58.436 58.530 -0.094 18681 1549 1 3 . 1 1 13 13 GLN CB C 13 28.058 28.058 28.602 -0.544 18681 1550 1 3 . 1 1 13 13 GLN H H 13 9.448 9.448 8.152 1.296 18681 1551 1 3 . 1 1 14 14 PHE N N 14 116.832 116.832 115.763 1.069 18681 1552 1 3 . 1 1 14 14 PHE HA H 14 4.865 4.865 4.653 0.212 18681 1553 1 3 . 1 1 14 14 PHE CA C 14 52.224 52.224 55.069 -2.845 18681 1554 1 3 . 1 1 14 14 PHE CB C 14 36.841 36.841 37.183 -0.342 18681 1555 1 3 . 1 1 14 14 PHE H H 14 7.970 7.970 7.748 0.222 18681 1556 1 3 . 1 1 15 15 LYS N N 15 120.886 120.886 122.212 -1.326 18681 1557 1 3 . 1 1 15 15 LYS HA H 15 3.852 3.852 4.012 -0.160 18681 1558 1 3 . 1 1 15 15 LYS CA C 15 60.248 60.248 59.862 0.386 18681 1559 1 3 . 1 1 15 15 LYS CB C 15 32.137 32.137 32.224 -0.087 18681 1560 1 3 . 1 1 15 15 LYS H H 15 7.358 7.358 7.562 -0.204 18681 1561 1 3 . 1 1 16 16 SER N N 16 111.755 111.755 113.868 -2.113 18681 1562 1 3 . 1 1 16 16 SER HA H 16 4.321 4.321 4.390 -0.069 18681 1563 1 3 . 1 1 16 16 SER CA C 16 61.099 61.099 60.685 0.414 18681 1564 1 3 . 1 1 16 16 SER CB C 16 62.700 62.700 63.301 -0.601 18681 1565 1 3 . 1 1 16 16 SER H H 16 8.733 8.733 8.003 0.730 18681 1566 1 3 . 1 1 17 17 ILE N N 17 113.676 113.676 114.378 -0.702 18681 1567 1 3 . 1 1 17 17 ILE HA H 17 6.002 6.002 5.230 0.772 18681 1568 1 3 . 1 1 17 17 ILE CA C 17 60.675 60.675 59.580 1.095 18681 1569 1 3 . 1 1 17 17 ILE CB C 17 37.907 37.907 37.436 0.471 18681 1570 1 3 . 1 1 17 17 ILE H H 17 7.692 7.692 7.953 -0.261 18681 1571 1 3 . 1 1 18 18 GLN N N 18 122.213 122.213 123.345 -1.132 18681 1572 1 3 . 1 1 18 18 GLN HA H 18 3.875 3.875 3.986 -0.111 18681 1573 1 3 . 1 1 18 18 GLN CA C 18 59.886 59.886 60.113 -0.227 18681 1574 1 3 . 1 1 18 18 GLN CB C 18 29.027 29.027 28.917 0.110 18681 1575 1 3 . 1 1 18 18 GLN H H 18 7.810 7.810 7.621 0.189 18681 1576 1 3 . 1 1 19 19 HIS N N 19 118.333 118.333 116.610 1.723 18681 1577 1 3 . 1 1 19 19 HIS HA H 19 4.547 4.547 4.347 0.200 18681 1578 1 3 . 1 1 19 19 HIS CA C 19 58.358 58.358 59.568 -1.210 18681 1579 1 3 . 1 1 19 19 HIS CB C 19 30.164 30.164 29.703 0.461 18681 1580 1 3 . 1 1 19 19 HIS H H 19 9.436 9.436 8.647 0.789 18681 1581 1 3 . 1 1 20 20 HIS N N 20 124.401 124.401 118.890 5.511 18681 1582 1 3 . 1 1 20 20 HIS HA H 20 3.958 3.958 4.328 -0.370 18681 1583 1 3 . 1 1 20 20 HIS CA C 20 62.329 62.329 60.455 1.874 18681 1584 1 3 . 1 1 20 20 HIS CB C 20 30.170 30.170 30.038 0.132 18681 1585 1 3 . 1 1 20 20 HIS H H 20 8.456 8.456 8.091 0.365 18681 1586 1 3 . 1 1 21 21 LEU N N 21 118.826 118.826 117.412 1.414 18681 1587 1 3 . 1 1 21 21 LEU HA H 21 4.096 4.096 4.222 -0.126 18681 1588 1 3 . 1 1 21 21 LEU CA C 21 57.730 57.730 58.601 -0.871 18681 1589 1 3 . 1 1 21 21 LEU CB C 21 41.415 41.415 41.136 0.279 18681 1590 1 3 . 1 1 21 21 LEU H H 21 8.028 8.028 7.999 0.029 18681 1591 1 3 . 1 1 22 22 ARG N N 22 121.674 121.674 120.332 1.342 18681 1592 1 3 . 1 1 22 22 ARG HA H 22 4.227 4.227 4.344 -0.117 18681 1593 1 3 . 1 1 22 22 ARG CA C 22 59.535 59.535 59.655 -0.120 18681 1594 1 3 . 1 1 22 22 ARG CB C 22 29.809 29.809 30.134 -0.325 18681 1595 1 3 . 1 1 22 22 ARG H H 22 8.103 8.103 8.199 -0.096 18681 1596 1 3 . 1 1 23 23 THR N N 23 116.419 116.419 116.251 0.168 18681 1597 1 3 . 1 1 23 23 THR HA H 23 4.113 4.113 4.441 -0.328 18681 1598 1 3 . 1 1 23 23 THR CA C 23 67.072 67.072 65.972 1.100 18681 1599 1 3 . 1 1 23 23 THR CB C 23 68.245 68.245 68.743 -0.498 18681 1600 1 3 . 1 1 23 23 THR H H 23 8.208 8.208 7.811 0.397 18681 1601 1 3 . 1 1 24 24 ALA N N 24 125.741 125.741 125.179 0.562 18681 1602 1 3 . 1 1 24 24 ALA HA H 24 3.928 3.928 3.910 0.018 18681 1603 1 3 . 1 1 24 24 ALA CA C 24 56.675 56.675 55.761 0.914 18681 1604 1 3 . 1 1 24 24 ALA CB C 24 19.011 19.011 18.220 0.791 18681 1605 1 3 . 1 1 24 24 ALA H H 24 8.149 8.149 7.825 0.324 18681 1606 1 3 . 1 1 25 25 GLN N N 25 115.916 115.916 117.690 -1.774 18681 1607 1 3 . 1 1 25 25 GLN HA H 25 4.375 4.375 3.992 0.383 18681 1608 1 3 . 1 1 25 25 GLN CA C 25 58.060 58.060 58.761 -0.701 18681 1609 1 3 . 1 1 25 25 GLN CB C 25 28.423 28.423 28.288 0.136 18681 1610 1 3 . 1 1 25 25 GLN H H 25 7.785 7.785 8.053 -0.268 18681 1611 1 3 . 1 1 26 26 GLU N N 26 117.821 117.821 120.679 -2.858 18681 1612 1 3 . 1 1 26 26 GLU HA H 26 4.089 4.089 4.043 0.046 18681 1613 1 3 . 1 1 26 26 GLU CA C 26 58.165 58.165 59.093 -0.928 18681 1614 1 3 . 1 1 26 26 GLU CB C 26 29.323 29.323 29.709 -0.386 18681 1615 1 3 . 1 1 26 26 GLU H H 26 8.457 8.457 7.813 0.644 18681 1616 1 3 . 1 1 27 27 HIS N N 27 115.762 115.762 118.681 -2.919 18681 1617 1 3 . 1 1 27 27 HIS HA H 27 4.380 4.380 4.358 0.022 18681 1618 1 3 . 1 1 27 27 HIS CA C 27 59.076 59.076 59.310 -0.234 18681 1619 1 3 . 1 1 27 27 HIS CB C 27 29.049 29.049 29.552 -0.503 18681 1620 1 3 . 1 1 27 27 HIS H H 27 7.962 7.962 8.567 -0.605 18681 1621 1 3 . 1 1 28 28 ASP N N 28 123.640 123.640 119.033 4.607 18681 1622 1 3 . 1 1 28 28 ASP HA H 28 4.332 4.332 4.562 -0.230 18681 1623 1 3 . 1 1 28 28 ASP CA C 28 58.935 58.935 56.523 2.412 18681 1624 1 3 . 1 1 28 28 ASP CB C 28 40.355 40.355 40.876 -0.521 18681 1625 1 3 . 1 1 28 28 ASP H H 28 7.593 7.593 8.126 -0.533 18681 1626 1 3 . 1 1 29 29 LYS N N 29 113.398 113.398 116.963 -3.565 18681 1627 1 3 . 1 1 29 29 LYS HA H 29 4.395 4.395 4.015 0.380 18681 1628 1 3 . 1 1 29 29 LYS CA C 29 56.654 56.654 58.443 -1.788 18681 1629 1 3 . 1 1 29 29 LYS CB C 29 32.708 32.708 32.554 0.154 18681 1630 1 3 . 1 1 29 29 LYS H H 29 8.013 8.013 7.556 0.457 18681 1631 1 3 . 1 1 30 30 ARG N N 30 117.542 117.542 117.523 0.019 18681 1632 1 3 . 1 1 30 30 ARG HA H 30 4.244 4.244 4.361 -0.117 18681 1633 1 3 . 1 1 30 30 ARG CA C 30 57.994 57.994 57.257 0.737 18681 1634 1 3 . 1 1 30 30 ARG CB C 30 32.658 32.658 31.236 1.422 18681 1635 1 3 . 1 1 30 30 ARG H H 30 7.873 7.873 7.968 -0.095 18681 1636 1 3 . 1 1 31 31 ASP N N 31 112.265 112.265 118.355 -6.090 18681 1637 1 3 . 1 1 31 31 ASP HA H 31 4.866 4.866 5.147 -0.281 18681 1638 1 3 . 1 1 31 31 ASP CA C 31 52.200 52.200 50.954 1.246 18681 1639 1 3 . 1 1 31 31 ASP CB C 31 40.932 40.932 44.110 -3.178 18681 1640 1 3 . 1 1 31 31 ASP H H 31 8.808 8.808 8.369 0.439 18681 1641 1 3 . 1 1 32 32 PRO HA H 32 4.411 4.411 4.911 -0.500 18681 1642 1 3 . 1 1 32 32 PRO CA C 32 63.963 63.963 64.564 -0.600 18681 1643 1 3 . 1 1 32 32 PRO CB C 32 32.908 32.908 32.934 -0.026 18681 1644 1 3 . 1 1 33 33 VAL N N 33 117.414 117.414 119.881 -2.467 18681 1645 1 3 . 1 1 33 33 VAL HA H 33 3.480 3.480 3.690 -0.210 18681 1646 1 3 . 1 1 33 33 VAL CA C 33 66.518 66.518 67.102 -0.584 18681 1647 1 3 . 1 1 33 33 VAL CB C 33 31.120 31.120 31.211 -0.091 18681 1648 1 3 . 1 1 33 33 VAL H H 33 7.656 7.656 8.543 -0.887 18681 1649 1 3 . 1 1 34 34 VAL N N 34 120.456 120.456 119.669 0.787 18681 1650 1 3 . 1 1 34 34 VAL HA H 34 3.561 3.561 3.841 -0.280 18681 1651 1 3 . 1 1 34 34 VAL CA C 34 66.828 66.828 66.857 -0.029 18681 1652 1 3 . 1 1 34 34 VAL CB C 34 32.442 32.442 31.162 1.280 18681 1653 1 3 . 1 1 34 34 VAL H H 34 7.234 7.234 7.620 -0.386 18681 1654 1 3 . 1 1 35 35 ALA N N 35 121.869 121.869 123.036 -1.167 18681 1655 1 3 . 1 1 35 35 ALA HA H 35 3.909 3.909 3.974 -0.065 18681 1656 1 3 . 1 1 35 35 ALA CA C 35 56.024 56.024 55.352 0.672 18681 1657 1 3 . 1 1 35 35 ALA CB C 35 19.264 19.264 18.317 0.948 18681 1658 1 3 . 1 1 35 35 ALA H H 35 8.096 8.096 7.683 0.413 18681 1659 1 3 . 1 1 36 36 TYR N N 36 117.995 117.995 120.057 -2.062 18681 1660 1 3 . 1 1 36 36 TYR HA H 36 3.826 3.826 3.909 -0.083 18681 1661 1 3 . 1 1 36 36 TYR CA C 36 62.044 62.044 62.702 -0.658 18681 1662 1 3 . 1 1 36 36 TYR CB C 36 38.136 38.136 38.283 -0.147 18681 1663 1 3 . 1 1 36 36 TYR H H 36 8.271 8.271 8.122 0.149 18681 1664 1 3 . 1 1 37 37 TYR N N 37 116.773 116.773 116.852 -0.079 18681 1665 1 3 . 1 1 37 37 TYR HA H 37 4.046 4.046 4.164 -0.118 18681 1666 1 3 . 1 1 37 37 TYR CA C 37 63.831 63.831 62.502 1.329 18681 1667 1 3 . 1 1 37 37 TYR CB C 37 37.749 37.749 37.934 -0.185 18681 1668 1 3 . 1 1 37 37 TYR H H 37 8.213 8.213 7.848 0.365 18681 1669 1 3 . 1 1 38 38 CYS N N 38 116.194 116.194 118.035 -1.841 18681 1670 1 3 . 1 1 38 38 CYS HA H 38 4.370 4.370 4.042 0.328 18681 1671 1 3 . 1 1 38 38 CYS CA C 38 64.389 64.389 64.228 0.161 18681 1672 1 3 . 1 1 38 38 CYS CB C 38 27.945 27.945 26.994 0.951 18681 1673 1 3 . 1 1 38 38 CYS H H 38 8.695 8.695 8.809 -0.114 18681 1674 1 3 . 1 1 39 39 ARG N N 39 117.023 117.023 120.500 -3.477 18681 1675 1 3 . 1 1 39 39 ARG HA H 39 3.804 3.804 4.101 -0.297 18681 1676 1 3 . 1 1 39 39 ARG CA C 39 60.198 60.198 58.922 1.276 18681 1677 1 3 . 1 1 39 39 ARG H H 39 7.005 7.005 8.481 -1.476 18681 1678 1 3 . 1 1 40 40 LEU N N 40 123.317 123.317 121.275 2.042 18681 1679 1 3 . 1 1 40 40 LEU HA H 40 3.813 3.813 3.920 -0.107 18681 1680 1 3 . 1 1 40 40 LEU CA C 40 58.181 58.181 57.683 0.498 18681 1681 1 3 . 1 1 40 40 LEU CB C 40 42.085 42.085 41.386 0.699 18681 1682 1 3 . 1 1 40 40 LEU H H 40 8.326 8.326 7.598 0.728 18681 1683 1 3 . 1 1 41 41 TYR N N 41 118.320 118.320 119.882 -1.562 18681 1684 1 3 . 1 1 41 41 TYR HA H 41 3.732 3.732 4.037 -0.305 18681 1685 1 3 . 1 1 41 41 TYR CA C 41 61.418 61.418 61.231 0.187 18681 1686 1 3 . 1 1 41 41 TYR CB C 41 38.953 38.953 38.075 0.878 18681 1687 1 3 . 1 1 41 41 TYR H H 41 8.533 8.533 7.896 0.637 18681 1688 1 3 . 1 1 42 42 ALA N N 42 123.644 123.644 122.511 1.133 18681 1689 1 3 . 1 1 42 42 ALA HA H 42 3.482 3.482 3.775 -0.293 18681 1690 1 3 . 1 1 42 42 ALA CA C 42 55.157 55.157 54.602 0.555 18681 1691 1 3 . 1 1 42 42 ALA CB C 42 18.413 18.413 18.426 -0.013 18681 1692 1 3 . 1 1 42 42 ALA H H 42 7.962 7.962 7.756 0.206 18681 1693 1 3 . 1 1 43 43 MET N N 43 117.932 117.932 118.767 -0.835 18681 1694 1 3 . 1 1 43 43 MET HA H 43 3.696 3.696 3.748 -0.052 18681 1695 1 3 . 1 1 43 43 MET CA C 43 58.675 58.675 60.075 -1.401 18681 1696 1 3 . 1 1 43 43 MET H H 43 8.433 8.433 8.204 0.229 18681 1697 1 3 . 1 1 44 44 GLN N N 44 116.738 116.738 117.581 -0.843 18681 1698 1 3 . 1 1 44 44 GLN HA H 44 3.773 3.773 3.804 -0.031 18681 1699 1 3 . 1 1 44 44 GLN CA C 44 58.924 58.924 58.815 0.109 18681 1700 1 3 . 1 1 44 44 GLN CB C 44 27.921 27.921 28.515 -0.594 18681 1701 1 3 . 1 1 44 44 GLN H H 44 8.307 8.307 7.810 0.497 18681 1702 1 3 . 1 1 45 45 THR N N 45 116.249 116.249 111.461 4.788 18681 1703 1 3 . 1 1 45 45 THR HA H 45 3.479 3.479 3.692 -0.213 18681 1704 1 3 . 1 1 45 45 THR CA C 45 66.529 66.529 65.455 1.074 18681 1705 1 3 . 1 1 45 45 THR CB C 45 67.635 67.635 68.108 -0.473 18681 1706 1 3 . 1 1 45 45 THR H H 45 7.954 7.954 7.556 0.398 18681 1707 1 3 . 1 1 46 46 GLY N N 46 110.016 110.016 109.782 0.234 18681 1708 1 3 . 1 1 46 46 GLY CA C 46 46.653 46.653 46.608 0.046 18681 1709 1 3 . 1 1 46 46 GLY H H 46 8.429 8.429 8.283 0.146 18681 1710 1 3 . 1 1 47 47 MET N N 47 118.040 118.040 117.363 0.677 18681 1711 1 3 . 1 1 47 47 MET HA H 47 3.876 3.876 4.403 -0.527 18681 1712 1 3 . 1 1 47 47 MET CA C 47 58.136 58.136 57.050 1.085 18681 1713 1 3 . 1 1 47 47 MET CB C 47 32.445 32.445 32.080 0.365 18681 1714 1 3 . 1 1 47 47 MET H H 47 8.160 8.160 8.291 -0.131 18681 1715 1 3 . 1 1 48 48 LYS N N 48 116.712 116.712 121.622 -4.910 18681 1716 1 3 . 1 1 48 48 LYS HA H 48 4.012 4.012 4.037 -0.025 18681 1717 1 3 . 1 1 48 48 LYS CA C 48 57.945 57.945 58.785 -0.840 18681 1718 1 3 . 1 1 48 48 LYS CB C 48 32.533 32.533 32.335 0.198 18681 1719 1 3 . 1 1 48 48 LYS H H 48 6.958 6.958 7.581 -0.623 18681 1720 1 3 . 1 1 49 49 ILE N N 49 120.903 120.903 118.356 2.547 18681 1721 1 3 . 1 1 49 49 ILE HA H 49 3.718 3.718 3.752 -0.034 18681 1722 1 3 . 1 1 49 49 ILE CA C 49 64.863 64.863 63.771 1.092 18681 1723 1 3 . 1 1 49 49 ILE CB C 49 39.087 39.087 38.235 0.852 18681 1724 1 3 . 1 1 49 49 ILE H H 49 7.609 7.609 7.595 0.014 18681 1725 1 3 . 1 1 50 50 ASP N N 50 115.959 115.959 115.660 0.299 18681 1726 1 3 . 1 1 50 50 ASP HA H 50 4.488 4.488 4.791 -0.303 18681 1727 1 3 . 1 1 50 50 ASP CA C 50 55.393 55.393 53.938 1.455 18681 1728 1 3 . 1 1 50 50 ASP CB C 50 40.952 40.952 42.911 -1.959 18681 1729 1 3 . 1 1 50 50 ASP H H 50 8.214 8.214 7.870 0.344 18681 1730 1 3 . 1 1 51 51 SER N N 51 115.917 115.917 112.173 3.744 18681 1731 1 3 . 1 1 51 51 SER HA H 51 4.566 4.566 4.560 0.006 18681 1732 1 3 . 1 1 51 51 SER CA C 51 56.544 56.544 58.957 -2.413 18681 1733 1 3 . 1 1 51 51 SER CB C 51 64.126 64.126 64.049 0.077 18681 1734 1 3 . 1 1 51 51 SER H H 51 8.438 8.438 8.358 0.080 18681 1735 1 3 . 1 1 52 52 LYS N N 52 122.213 122.213 122.073 0.140 18681 1736 1 3 . 1 1 52 52 LYS HA H 52 4.438 4.438 4.612 -0.174 18681 1737 1 3 . 1 1 52 52 LYS CB C 52 35.344 35.344 33.076 2.268 18681 1738 1 3 . 1 1 52 52 LYS H H 52 8.937 8.937 8.090 0.847 18681 1739 1 3 . 1 1 53 53 THR N N 53 122.291 122.291 121.012 1.279 18681 1740 1 3 . 1 1 53 53 THR HA H 53 4.273 4.273 4.778 -0.505 18681 1741 1 3 . 1 1 53 53 THR CA C 53 61.837 61.837 59.058 2.779 18681 1742 1 3 . 1 1 53 53 THR CB C 53 68.067 68.067 70.110 -2.043 18681 1743 1 3 . 1 1 53 53 THR H H 53 9.437 9.437 8.355 1.082 18681 1744 1 3 . 1 1 54 54 PRO HA H 54 4.050 4.050 4.105 -0.055 18681 1745 1 3 . 1 1 54 54 PRO CA C 54 66.870 66.870 65.716 1.154 18681 1746 1 3 . 1 1 54 54 PRO CB C 54 31.670 31.670 32.010 -0.340 18681 1747 1 3 . 1 1 55 55 GLU N N 55 116.532 116.532 117.301 -0.769 18681 1748 1 3 . 1 1 55 55 GLU HA H 55 4.024 4.024 4.302 -0.278 18681 1749 1 3 . 1 1 55 55 GLU CA C 55 59.870 59.870 58.888 0.982 18681 1750 1 3 . 1 1 55 55 GLU CB C 55 28.759 28.759 29.270 -0.511 18681 1751 1 3 . 1 1 55 55 GLU H H 55 9.352 9.352 8.473 0.879 18681 1752 1 3 . 1 1 56 56 CYS N N 56 119.066 119.066 119.232 -0.166 18681 1753 1 3 . 1 1 56 56 CYS HA H 56 3.759 3.759 4.124 -0.365 18681 1754 1 3 . 1 1 56 56 CYS CA C 56 63.167 63.167 62.522 0.645 18681 1755 1 3 . 1 1 56 56 CYS CB C 56 26.891 26.891 26.973 -0.081 18681 1756 1 3 . 1 1 56 56 CYS H H 56 7.126 7.126 8.249 -1.123 18681 1757 1 3 . 1 1 57 57 ARG N N 57 119.779 119.779 121.154 -1.375 18681 1758 1 3 . 1 1 57 57 ARG HA H 57 3.876 3.876 3.851 0.025 18681 1759 1 3 . 1 1 57 57 ARG CA C 57 60.025 60.025 59.818 0.207 18681 1760 1 3 . 1 1 57 57 ARG H H 57 8.252 8.252 8.879 -0.627 18681 1761 1 3 . 1 1 58 58 LYS N N 58 119.155 119.155 117.517 1.638 18681 1762 1 3 . 1 1 58 58 LYS HA H 58 4.056 4.056 4.050 0.006 18681 1763 1 3 . 1 1 58 58 LYS CA C 58 59.205 59.205 59.013 0.192 18681 1764 1 3 . 1 1 58 58 LYS CB C 58 32.127 32.127 31.980 0.147 18681 1765 1 3 . 1 1 58 58 LYS H H 58 8.394 8.394 7.675 0.719 18681 1766 1 3 . 1 1 59 59 PHE N N 59 119.989 119.989 121.419 -1.430 18681 1767 1 3 . 1 1 59 59 PHE HA H 59 3.748 3.748 4.246 -0.498 18681 1768 1 3 . 1 1 59 59 PHE CA C 59 63.103 63.103 61.684 1.419 18681 1769 1 3 . 1 1 59 59 PHE CB C 59 39.644 39.644 39.232 0.412 18681 1770 1 3 . 1 1 59 59 PHE H H 59 7.720 7.720 8.080 -0.360 18681 1771 1 3 . 1 1 60 60 LEU N N 60 117.203 117.203 120.179 -2.976 18681 1772 1 3 . 1 1 60 60 LEU HA H 60 3.991 3.991 3.976 0.015 18681 1773 1 3 . 1 1 60 60 LEU CA C 60 57.969 57.969 58.116 -0.147 18681 1774 1 3 . 1 1 60 60 LEU CB C 60 41.187 41.187 41.639 -0.452 18681 1775 1 3 . 1 1 60 60 LEU H H 60 8.685 8.685 8.796 -0.111 18681 1776 1 3 . 1 1 61 61 SER N N 61 114.724 114.724 114.838 -0.114 18681 1777 1 3 . 1 1 61 61 SER HA H 61 4.188 4.188 4.081 0.107 18681 1778 1 3 . 1 1 61 61 SER CA C 61 61.650 61.650 62.159 -0.509 18681 1779 1 3 . 1 1 61 61 SER CB C 61 62.589 62.589 62.995 -0.406 18681 1780 1 3 . 1 1 61 61 SER H H 61 8.107 8.107 8.453 -0.346 18681 1781 1 3 . 1 1 62 62 LYS N N 62 120.164 120.164 121.222 -1.058 18681 1782 1 3 . 1 1 62 62 LYS HA H 62 4.147 4.147 3.988 0.159 18681 1783 1 3 . 1 1 62 62 LYS CA C 62 57.139 57.139 58.772 -1.633 18681 1784 1 3 . 1 1 62 62 LYS CB C 62 30.881 30.881 32.224 -1.343 18681 1785 1 3 . 1 1 62 62 LYS H H 62 7.541 7.541 7.796 -0.255 18681 1786 1 3 . 1 1 63 63 LEU N N 63 123.446 123.446 122.090 1.356 18681 1787 1 3 . 1 1 63 63 LEU HA H 63 3.926 3.926 3.957 -0.031 18681 1788 1 3 . 1 1 63 63 LEU CA C 63 57.709 57.709 57.527 0.182 18681 1789 1 3 . 1 1 63 63 LEU CB C 63 41.222 41.222 41.620 -0.397 18681 1790 1 3 . 1 1 63 63 LEU H H 63 8.238 8.238 8.265 -0.027 18681 1791 1 3 . 1 1 64 64 MET N N 64 120.864 120.864 117.894 2.970 18681 1792 1 3 . 1 1 64 64 MET HA H 64 4.143 4.143 4.073 0.070 18681 1793 1 3 . 1 1 64 64 MET CA C 64 58.644 58.644 57.870 0.774 18681 1794 1 3 . 1 1 64 64 MET CB C 64 31.625 31.625 31.622 0.003 18681 1795 1 3 . 1 1 64 64 MET H H 64 8.608 8.608 8.549 0.059 18681 1796 1 3 . 1 1 65 65 ASP N N 65 119.121 119.121 120.464 -1.343 18681 1797 1 3 . 1 1 65 65 ASP HA H 65 4.373 4.373 4.657 -0.284 18681 1798 1 3 . 1 1 65 65 ASP CA C 65 57.390 57.390 57.157 0.233 18681 1799 1 3 . 1 1 65 65 ASP CB C 65 39.956 39.956 40.960 -1.004 18681 1800 1 3 . 1 1 65 65 ASP H H 65 7.857 7.857 7.838 0.019 18681 1801 1 3 . 1 1 66 66 GLN N N 66 119.748 119.748 119.093 0.655 18681 1802 1 3 . 1 1 66 66 GLN HA H 66 4.084 4.084 4.003 0.081 18681 1803 1 3 . 1 1 66 66 GLN CB C 66 28.222 28.222 28.840 -0.618 18681 1804 1 3 . 1 1 66 66 GLN H H 66 7.703 7.703 7.655 0.048 18681 1805 1 3 . 1 1 67 67 LEU N N 67 120.349 120.349 121.223 -0.874 18681 1806 1 3 . 1 1 67 67 LEU HA H 67 3.890 3.890 3.825 0.065 18681 1807 1 3 . 1 1 67 67 LEU CA C 67 58.914 58.914 58.560 0.354 18681 1808 1 3 . 1 1 67 67 LEU H H 67 8.356 8.356 7.803 0.553 18681 1809 1 3 . 1 1 68 68 GLU N N 68 118.268 118.268 118.678 -0.410 18681 1810 1 3 . 1 1 68 68 GLU HA H 68 4.018 4.018 4.001 0.017 18681 1811 1 3 . 1 1 68 68 GLU CA C 68 59.174 59.174 59.313 -0.140 18681 1812 1 3 . 1 1 68 68 GLU CB C 68 29.419 29.419 29.221 0.198 18681 1813 1 3 . 1 1 68 68 GLU H H 68 8.547 8.547 7.971 0.576 18681 1814 1 3 . 1 1 69 69 ALA N N 69 122.349 122.349 123.017 -0.668 18681 1815 1 3 . 1 1 69 69 ALA HA H 69 4.126 4.126 4.051 0.075 18681 1816 1 3 . 1 1 69 69 ALA CA C 69 54.937 54.937 55.088 -0.151 18681 1817 1 3 . 1 1 69 69 ALA CB C 69 18.147 18.147 18.424 -0.277 18681 1818 1 3 . 1 1 69 69 ALA H H 69 7.853 7.853 7.923 -0.070 18681 1819 1 3 . 1 1 70 70 LEU N N 70 120.257 120.257 119.176 1.081 18681 1820 1 3 . 1 1 70 70 LEU HA H 70 4.016 4.016 3.906 0.110 18681 1821 1 3 . 1 1 70 70 LEU CA C 70 57.750 57.750 57.922 -0.172 18681 1822 1 3 . 1 1 70 70 LEU CB C 70 42.623 42.623 41.752 0.871 18681 1823 1 3 . 1 1 70 70 LEU H H 70 8.553 8.553 7.903 0.650 18681 1824 1 3 . 1 1 71 71 LYS HA H 71 3.431 3.431 3.792 -0.361 18681 1825 1 3 . 1 1 71 71 LYS CB C 71 32.132 32.132 32.221 -0.089 18681 1826 1 3 . 1 1 71 71 LYS H H 71 8.636 8.636 7.735 0.901 18681 1827 1 3 . 1 1 72 72 LYS N N 72 117.417 117.417 118.160 -0.743 18681 1828 1 3 . 1 1 72 72 LYS HA H 72 4.007 4.007 3.949 0.058 18681 1829 1 3 . 1 1 72 72 LYS CA C 72 58.936 58.936 59.061 -0.125 18681 1830 1 3 . 1 1 72 72 LYS H H 72 7.620 7.620 7.779 -0.159 18681 1831 1 3 . 1 1 73 73 GLN N N 73 119.180 119.180 118.389 0.791 18681 1832 1 3 . 1 1 73 73 GLN HA H 73 4.027 4.027 4.049 -0.022 18681 1833 1 3 . 1 1 73 73 GLN CA C 73 58.084 58.084 58.386 -0.302 18681 1834 1 3 . 1 1 73 73 GLN CB C 73 29.044 29.044 28.798 0.246 18681 1835 1 3 . 1 1 73 73 GLN H H 73 7.798 7.798 7.832 -0.034 18681 1836 1 3 . 1 1 74 74 LEU N N 74 118.230 118.230 117.301 0.929 18681 1837 1 3 . 1 1 74 74 LEU HA H 74 4.258 4.258 4.026 0.232 18681 1838 1 3 . 1 1 74 74 LEU CA C 74 55.050 55.050 56.306 -1.256 18681 1839 1 3 . 1 1 74 74 LEU CB C 74 42.380 42.380 42.698 -0.318 18681 1840 1 3 . 1 1 74 74 LEU H H 74 8.050 8.050 7.896 0.154 18681 1841 1 3 . 1 1 75 75 GLY N N 75 106.441 106.441 106.590 -0.149 18681 1842 1 3 . 1 1 75 75 GLY CA C 75 47.098 47.098 45.833 1.265 18681 1843 1 3 . 1 1 75 75 GLY H H 75 7.420 7.420 8.508 -1.088 18681 1844 1 3 . 1 1 76 76 ASP N N 76 121.520 121.520 126.081 -4.561 18681 1845 1 3 . 1 1 76 76 ASP HA H 76 4.533 4.533 4.691 -0.158 18681 1846 1 3 . 1 1 76 76 ASP CA C 76 53.148 53.148 52.814 0.334 18681 1847 1 3 . 1 1 76 76 ASP CB C 76 39.714 39.714 39.694 0.020 18681 1848 1 3 . 1 1 76 76 ASP H H 76 8.332 8.332 8.237 0.095 18681 1849 1 3 . 1 1 77 77 ASN N N 77 121.250 121.250 121.359 -0.109 18681 1850 1 3 . 1 1 77 77 ASN HA H 77 4.489 4.489 4.870 -0.381 18681 1851 1 3 . 1 1 77 77 ASN CA C 77 54.063 54.063 51.854 2.209 18681 1852 1 3 . 1 1 77 77 ASN CB C 77 40.058 40.058 41.602 -1.544 18681 1853 1 3 . 1 1 77 77 ASN H H 77 7.725 7.725 7.993 -0.268 18681 1854 1 3 . 1 1 78 78 GLU N N 78 129.390 129.390 126.571 2.819 18681 1855 1 3 . 1 1 78 78 GLU HA H 78 4.225 4.225 4.129 0.096 18681 1856 1 3 . 1 1 78 78 GLU CA C 78 58.888 58.888 59.860 -0.972 18681 1857 1 3 . 1 1 78 78 GLU CB C 78 29.698 29.698 29.713 -0.015 18681 1858 1 3 . 1 1 78 78 GLU H H 78 9.282 9.282 9.007 0.275 18681 1859 1 3 . 1 1 79 79 ALA N N 79 116.576 116.576 122.897 -6.321 18681 1860 1 3 . 1 1 79 79 ALA HA H 79 4.079 4.079 4.260 -0.181 18681 1861 1 3 . 1 1 79 79 ALA CA C 79 53.222 53.222 55.489 -2.267 18681 1862 1 3 . 1 1 79 79 ALA CB C 79 19.347 19.347 18.668 0.679 18681 1863 1 3 . 1 1 79 79 ALA H H 79 8.285 8.285 8.856 -0.571 18681 1864 1 3 . 1 1 80 80 ILE N N 80 116.410 116.410 116.205 0.205 18681 1865 1 3 . 1 1 80 80 ILE HA H 80 4.043 4.043 3.680 0.363 18681 1866 1 3 . 1 1 80 80 ILE CA C 80 59.695 59.695 63.449 -3.754 18681 1867 1 3 . 1 1 80 80 ILE CB C 80 36.642 36.642 36.784 -0.142 18681 1868 1 3 . 1 1 80 80 ILE H H 80 7.857 7.857 7.945 -0.088 18681 1869 1 3 . 1 1 81 81 THR N N 81 110.649 110.649 110.106 0.543 18681 1870 1 3 . 1 1 81 81 THR HA H 81 4.079 4.079 4.125 -0.046 18681 1871 1 3 . 1 1 81 81 THR CA C 81 63.509 63.509 64.192 -0.683 18681 1872 1 3 . 1 1 81 81 THR CB C 81 68.764 68.764 69.457 -0.692 18681 1873 1 3 . 1 1 81 81 THR H H 81 7.869 7.869 8.068 -0.199 18681 1874 1 3 . 1 1 82 82 GLN N N 82 120.522 120.522 121.623 -1.101 18681 1875 1 3 . 1 1 82 82 GLN HA H 82 4.743 4.743 4.642 0.101 18681 1876 1 3 . 1 1 82 82 GLN CB C 82 29.184 29.184 31.061 -1.877 18681 1877 1 3 . 1 1 82 82 GLN H H 82 8.016 8.016 8.105 -0.089 18681 1878 1 3 . 1 1 83 83 GLU N N 83 126.907 126.907 124.162 2.745 18681 1879 1 3 . 1 1 83 83 GLU HA H 83 4.011 4.011 4.354 -0.343 18681 1880 1 3 . 1 1 83 83 GLU CA C 83 60.736 60.736 59.222 1.514 18681 1881 1 3 . 1 1 83 83 GLU CB C 83 29.353 29.353 29.501 -0.148 18681 1882 1 3 . 1 1 83 83 GLU H H 83 9.146 9.146 9.093 0.053 18681 1883 1 3 . 1 1 84 84 ILE N N 84 115.693 115.693 115.845 -0.152 18681 1884 1 3 . 1 1 84 84 ILE HA H 84 3.764 3.764 3.697 0.067 18681 1885 1 3 . 1 1 84 84 ILE CA C 84 63.908 63.908 64.148 -0.240 18681 1886 1 3 . 1 1 84 84 ILE CB C 84 37.762 37.762 36.958 0.804 18681 1887 1 3 . 1 1 84 84 ILE H H 84 8.460 8.460 7.673 0.787 18681 1888 1 3 . 1 1 85 85 VAL N N 85 123.415 123.415 120.848 2.567 18681 1889 1 3 . 1 1 85 85 VAL HA H 85 3.714 3.714 3.680 0.034 18681 1890 1 3 . 1 1 85 85 VAL CA C 85 65.226 65.226 66.217 -0.991 18681 1891 1 3 . 1 1 85 85 VAL CB C 85 31.142 31.142 30.837 0.305 18681 1892 1 3 . 1 1 85 85 VAL H H 85 7.034 7.034 7.841 -0.807 18681 1893 1 3 . 1 1 86 86 GLY N N 86 110.422 110.422 107.557 2.865 18681 1894 1 3 . 1 1 86 86 GLY CA C 86 49.167 49.167 47.386 1.781 18681 1895 1 3 . 1 1 86 86 GLY H H 86 8.139 8.139 7.947 0.192 18681 1896 1 3 . 1 1 87 87 CYS N N 87 121.087 121.087 121.253 -0.166 18681 1897 1 3 . 1 1 87 87 CYS HA H 87 2.923 2.923 4.010 -1.087 18681 1898 1 3 . 1 1 87 87 CYS CA C 87 62.064 62.064 62.045 0.018 18681 1899 1 3 . 1 1 87 87 CYS CB C 87 25.682 25.682 26.215 -0.533 18681 1900 1 3 . 1 1 87 87 CYS H H 87 8.052 8.052 8.039 0.013 18681 1901 1 3 . 1 1 88 88 ALA N N 88 119.739 119.739 121.715 -1.976 18681 1902 1 3 . 1 1 88 88 ALA HA H 88 4.109 4.109 3.966 0.143 18681 1903 1 3 . 1 1 88 88 ALA CA C 88 54.895 54.895 55.237 -0.342 18681 1904 1 3 . 1 1 88 88 ALA CB C 88 17.680 17.680 17.990 -0.310 18681 1905 1 3 . 1 1 88 88 ALA H H 88 7.230 7.230 7.958 -0.728 18681 1906 1 3 . 1 1 89 89 HIS N N 89 118.056 118.056 119.208 -1.152 18681 1907 1 3 . 1 1 89 89 HIS HA H 89 4.172 4.172 4.296 -0.124 18681 1908 1 3 . 1 1 89 89 HIS CA C 89 59.587 59.587 60.095 -0.508 18681 1909 1 3 . 1 1 89 89 HIS CB C 89 30.446 30.446 30.163 0.283 18681 1910 1 3 . 1 1 89 89 HIS H H 89 8.190 8.190 7.707 0.483 18681 1911 1 3 . 1 1 90 90 LEU N N 90 120.375 120.375 119.878 0.497 18681 1912 1 3 . 1 1 90 90 LEU HA H 90 3.953 3.953 4.071 -0.118 18681 1913 1 3 . 1 1 90 90 LEU CA C 90 57.959 57.959 58.560 -0.601 18681 1914 1 3 . 1 1 90 90 LEU CB C 90 41.434 41.434 41.258 0.175 18681 1915 1 3 . 1 1 90 90 LEU H H 90 8.115 8.115 8.573 -0.458 18681 1916 1 3 . 1 1 91 91 GLU N N 91 119.711 119.711 119.280 0.431 18681 1917 1 3 . 1 1 91 91 GLU HA H 91 3.801 3.801 3.919 -0.118 18681 1918 1 3 . 1 1 91 91 GLU CA C 91 60.130 60.130 59.533 0.597 18681 1919 1 3 . 1 1 91 91 GLU CB C 91 29.870 29.870 29.254 0.616 18681 1920 1 3 . 1 1 91 91 GLU H H 91 9.186 9.186 8.393 0.793 18681 1921 1 3 . 1 1 92 92 ASN N N 92 116.626 116.626 118.103 -1.477 18681 1922 1 3 . 1 1 92 92 ASN HA H 92 4.411 4.411 4.375 0.035 18681 1923 1 3 . 1 1 92 92 ASN CA C 92 56.280 56.280 56.152 0.128 18681 1924 1 3 . 1 1 92 92 ASN CB C 92 38.464 38.464 38.568 -0.104 18681 1925 1 3 . 1 1 92 92 ASN H H 92 8.392 8.392 7.894 0.498 18681 1926 1 3 . 1 1 93 93 TYR N N 93 121.123 121.123 120.348 0.775 18681 1927 1 3 . 1 1 93 93 TYR HA H 93 4.465 4.465 3.997 0.468 18681 1928 1 3 . 1 1 93 93 TYR CA C 93 59.339 59.339 61.300 -1.960 18681 1929 1 3 . 1 1 93 93 TYR CB C 93 38.593 38.593 38.158 0.435 18681 1930 1 3 . 1 1 93 93 TYR H H 93 7.742 7.742 7.944 -0.202 18681 1931 1 3 . 1 1 94 94 ALA N N 94 120.589 120.589 121.378 -0.789 18681 1932 1 3 . 1 1 94 94 ALA HA H 94 3.742 3.742 3.974 -0.232 18681 1933 1 3 . 1 1 94 94 ALA CA C 94 55.340 55.340 55.267 0.072 18681 1934 1 3 . 1 1 94 94 ALA CB C 94 17.779 17.779 18.333 -0.554 18681 1935 1 3 . 1 1 94 94 ALA H H 94 8.811 8.811 8.246 0.565 18681 1936 1 3 . 1 1 95 95 LEU HA H 95 4.132 4.132 3.881 0.251 18681 1937 1 3 . 1 1 95 95 LEU CB C 95 40.964 40.964 40.960 0.004 18681 1938 1 3 . 1 1 95 95 LEU H H 95 8.345 8.345 7.796 0.549 18681 1939 1 3 . 1 1 96 96 LYS N N 96 119.704 119.704 119.405 0.299 18681 1940 1 3 . 1 1 96 96 LYS HA H 96 3.971 3.971 3.980 -0.009 18681 1941 1 3 . 1 1 96 96 LYS CA C 96 59.877 59.877 59.822 0.055 18681 1942 1 3 . 1 1 96 96 LYS CB C 96 32.096 32.096 32.320 -0.224 18681 1943 1 3 . 1 1 96 96 LYS H H 96 8.057 8.057 7.779 0.278 18681 1944 1 3 . 1 1 97 97 MET N N 97 119.269 119.269 119.086 0.183 18681 1945 1 3 . 1 1 97 97 MET HA H 97 4.146 4.146 4.220 -0.074 18681 1946 1 3 . 1 1 97 97 MET CA C 97 59.020 59.020 58.450 0.570 18681 1947 1 3 . 1 1 97 97 MET CB C 97 32.949 32.949 32.349 0.600 18681 1948 1 3 . 1 1 97 97 MET H H 97 7.791 7.791 7.793 -0.002 18681 1949 1 3 . 1 1 98 98 PHE N N 98 120.493 120.493 120.730 -0.237 18681 1950 1 3 . 1 1 98 98 PHE HA H 98 3.686 3.686 3.996 -0.310 18681 1951 1 3 . 1 1 98 98 PHE CA C 98 62.257 62.257 62.192 0.065 18681 1952 1 3 . 1 1 98 98 PHE CB C 98 39.929 39.929 39.105 0.824 18681 1953 1 3 . 1 1 98 98 PHE H H 98 8.584 8.584 8.945 -0.361 18681 1954 1 3 . 1 1 99 99 LEU N N 99 118.196 118.196 119.691 -1.495 18681 1955 1 3 . 1 1 99 99 LEU HA H 99 3.923 3.923 4.017 -0.094 18681 1956 1 3 . 1 1 99 99 LEU CA C 99 57.670 57.670 57.843 -0.173 18681 1957 1 3 . 1 1 99 99 LEU CB C 99 41.371 41.371 40.940 0.431 18681 1958 1 3 . 1 1 99 99 LEU H H 99 9.148 9.148 8.586 0.562 18681 1959 1 3 . 1 1 100 100 TYR N N 100 119.695 119.695 120.583 -0.888 18681 1960 1 3 . 1 1 100 100 TYR HA H 100 4.179 4.179 3.873 0.306 18681 1961 1 3 . 1 1 100 100 TYR CA C 100 60.511 60.511 62.138 -1.627 18681 1962 1 3 . 1 1 100 100 TYR CB C 100 37.397 37.397 37.949 -0.552 18681 1963 1 3 . 1 1 100 100 TYR H H 100 7.699 7.699 8.447 -0.748 18681 1964 1 3 . 1 1 101 101 ALA N N 101 123.078 123.078 120.553 2.525 18681 1965 1 3 . 1 1 101 101 ALA HA H 101 2.916 2.916 3.640 -0.724 18681 1966 1 3 . 1 1 101 101 ALA CA C 101 55.042 55.042 54.619 0.423 18681 1967 1 3 . 1 1 101 101 ALA CB C 101 16.049 16.049 17.475 -1.426 18681 1968 1 3 . 1 1 101 101 ALA H H 101 7.385 7.385 7.682 -0.297 18681 1969 1 3 . 1 1 102 102 ASP N N 102 117.073 117.073 118.753 -1.680 18681 1970 1 3 . 1 1 102 102 ASP HA H 102 4.287 4.287 4.334 -0.047 18681 1971 1 3 . 1 1 102 102 ASP CA C 102 57.049 57.049 57.183 -0.134 18681 1972 1 3 . 1 1 102 102 ASP CB C 102 42.898 42.898 40.543 2.355 18681 1973 1 3 . 1 1 102 102 ASP H H 102 8.539 8.539 7.981 0.557 18681 1974 1 3 . 1 1 103 103 ASN N N 103 116.630 116.630 117.902 -1.272 18681 1975 1 3 . 1 1 103 103 ASN HA H 103 4.264 4.264 4.396 -0.132 18681 1976 1 3 . 1 1 103 103 ASN CA C 103 56.386 56.386 55.813 0.573 18681 1977 1 3 . 1 1 103 103 ASN CB C 103 38.332 38.332 38.254 0.078 18681 1978 1 3 . 1 1 103 103 ASN H H 103 7.970 7.970 8.559 -0.589 18681 1979 1 3 . 1 1 104 104 GLU N N 104 118.811 118.811 119.883 -1.072 18681 1980 1 3 . 1 1 104 104 GLU HA H 104 3.619 3.619 3.850 -0.231 18681 1981 1 3 . 1 1 104 104 GLU CA C 104 58.982 58.982 59.007 -0.025 18681 1982 1 3 . 1 1 104 104 GLU H H 104 7.474 7.474 7.703 -0.229 18681 1983 1 3 . 1 1 105 105 ASP N N 105 120.013 120.013 119.284 0.729 18681 1984 1 3 . 1 1 105 105 ASP HA H 105 3.818 3.818 4.344 -0.526 18681 1985 1 3 . 1 1 105 105 ASP CA C 105 57.508 57.508 56.783 0.725 18681 1986 1 3 . 1 1 105 105 ASP CB C 105 43.738 43.738 41.154 2.584 18681 1987 1 3 . 1 1 105 105 ASP H H 105 8.212 8.212 8.052 0.160 18681 1988 1 3 . 1 1 106 106 ARG N N 106 116.747 116.747 120.109 -3.362 18681 1989 1 3 . 1 1 106 106 ARG HA H 106 3.804 3.804 4.143 -0.339 18681 1990 1 3 . 1 1 106 106 ARG CA C 106 59.150 59.150 58.287 0.863 18681 1991 1 3 . 1 1 106 106 ARG CB C 106 30.083 30.083 30.214 -0.131 18681 1992 1 3 . 1 1 106 106 ARG H H 106 8.532 8.532 8.108 0.424 18681 1993 1 3 . 1 1 107 107 ALA N N 107 119.388 119.388 118.497 0.891 18681 1994 1 3 . 1 1 107 107 ALA HA H 107 4.232 4.232 4.168 0.064 18681 1995 1 3 . 1 1 107 107 ALA CA C 107 51.407 51.407 52.753 -1.346 18681 1996 1 3 . 1 1 107 107 ALA CB C 107 18.572 18.572 18.981 -0.409 18681 1997 1 3 . 1 1 107 107 ALA H H 107 7.302 7.302 7.551 -0.249 18681 1998 1 3 . 1 1 108 108 GLY N N 108 108.840 108.840 105.651 3.189 18681 1999 1 3 . 1 1 108 108 GLY CA C 108 45.735 45.735 44.648 1.087 18681 2000 1 3 . 1 1 108 108 GLY H H 108 7.905 7.905 7.664 0.241 18681 2001 1 3 . 1 1 109 109 ARG N N 109 121.140 121.140 120.368 0.772 18681 2002 1 3 . 1 1 109 109 ARG HA H 109 4.126 4.126 4.303 -0.177 18681 2003 1 3 . 1 1 109 109 ARG CA C 109 55.361 55.361 54.877 0.484 18681 2004 1 3 . 1 1 109 109 ARG H H 109 7.642 7.642 7.186 0.456 18681 2005 1 3 . 1 1 110 110 PHE N N 110 119.534 119.534 122.617 -3.083 18681 2006 1 3 . 1 1 110 110 PHE HA H 110 4.950 4.950 4.863 0.087 18681 2007 1 3 . 1 1 110 110 PHE CA C 110 55.415 55.415 56.982 -1.567 18681 2008 1 3 . 1 1 110 110 PHE H H 110 7.644 7.644 8.341 -0.697 18681 2009 1 3 . 1 1 111 111 HIS N N 111 116.408 116.408 120.438 -4.030 18681 2010 1 3 . 1 1 111 111 HIS HA H 111 4.757 4.757 4.822 -0.065 18681 2011 1 3 . 1 1 111 111 HIS CB C 111 32.022 32.022 33.509 -1.487 18681 2012 1 3 . 1 1 111 111 HIS H H 111 6.789 6.789 8.164 -1.375 18681 2013 1 3 . 1 1 112 112 LYS N N 112 119.836 119.836 122.678 -2.842 18681 2014 1 3 . 1 1 112 112 LYS HA H 112 4.059 4.059 4.074 -0.015 18681 2015 1 3 . 1 1 112 112 LYS H H 112 8.267 8.267 8.973 -0.706 18681 2016 1 3 . 1 1 113 113 ASN N N 113 118.047 118.047 118.067 -0.020 18681 2017 1 3 . 1 1 113 113 ASN HA H 113 4.737 4.737 4.519 0.218 18681 2018 1 3 . 1 1 113 113 ASN CB C 113 38.295 38.295 37.294 1.001 18681 2019 1 3 . 1 1 113 113 ASN H H 113 8.831 8.831 8.230 0.601 18681 2020 1 3 . 1 1 114 114 MET N N 114 119.081 119.081 119.993 -0.912 18681 2021 1 3 . 1 1 114 114 MET HA H 114 4.379 4.379 4.224 0.155 18681 2022 1 3 . 1 1 114 114 MET CA C 114 58.194 58.194 59.335 -1.141 18681 2023 1 3 . 1 1 114 114 MET H H 114 8.520 8.520 7.684 0.836 18681 2024 1 3 . 1 1 115 115 ILE N N 115 125.193 125.193 120.383 4.810 18681 2025 1 3 . 1 1 115 115 ILE HA H 115 3.651 3.651 3.799 -0.148 18681 2026 1 3 . 1 1 115 115 ILE CA C 115 66.869 66.869 65.391 1.478 18681 2027 1 3 . 1 1 115 115 ILE CB C 115 39.162 39.162 37.599 1.563 18681 2028 1 3 . 1 1 115 115 ILE H H 115 7.737 7.737 7.729 0.008 18681 2029 1 3 . 1 1 116 116 LYS N N 116 118.190 118.190 120.069 -1.879 18681 2030 1 3 . 1 1 116 116 LYS HA H 116 4.150 4.150 4.036 0.114 18681 2031 1 3 . 1 1 116 116 LYS CA C 116 59.379 59.379 59.387 -0.008 18681 2032 1 3 . 1 1 116 116 LYS CB C 116 32.097 32.097 31.947 0.150 18681 2033 1 3 . 1 1 116 116 LYS H H 116 8.393 8.393 7.814 0.579 18681 2034 1 3 . 1 1 117 117 SER N N 117 117.471 117.471 117.266 0.205 18681 2035 1 3 . 1 1 117 117 SER HA H 117 4.096 4.096 4.264 -0.168 18681 2036 1 3 . 1 1 117 117 SER CA C 117 63.167 63.167 61.963 1.204 18681 2037 1 3 . 1 1 117 117 SER CB C 117 63.135 63.135 62.825 0.310 18681 2038 1 3 . 1 1 117 117 SER H H 117 8.138 8.138 8.120 0.018 18681 2039 1 3 . 1 1 118 118 PHE N N 118 121.885 121.885 121.915 -0.030 18681 2040 1 3 . 1 1 118 118 PHE HA H 118 4.408 4.408 4.167 0.241 18681 2041 1 3 . 1 1 118 118 PHE CA C 118 61.176 61.176 61.801 -0.625 18681 2042 1 3 . 1 1 118 118 PHE CB C 118 38.889 38.889 38.661 0.228 18681 2043 1 3 . 1 1 118 118 PHE H H 118 8.168 8.168 8.316 -0.148 18681 2044 1 3 . 1 1 119 119 TYR N N 119 118.356 118.356 119.910 -1.554 18681 2045 1 3 . 1 1 119 119 TYR HA H 119 3.935 3.935 4.044 -0.109 18681 2046 1 3 . 1 1 119 119 TYR CA C 119 62.261 62.261 62.409 -0.148 18681 2047 1 3 . 1 1 119 119 TYR CB C 119 38.498 38.498 38.624 -0.126 18681 2048 1 3 . 1 1 119 119 TYR H H 119 8.693 8.693 8.310 0.383 18681 2049 1 3 . 1 1 120 120 THR N N 120 117.468 117.468 115.460 2.008 18681 2050 1 3 . 1 1 120 120 THR HA H 120 3.705 3.705 3.799 -0.094 18681 2051 1 3 . 1 1 120 120 THR CA C 120 67.393 67.393 66.802 0.591 18681 2052 1 3 . 1 1 120 120 THR CB C 120 68.041 68.041 68.302 -0.261 18681 2053 1 3 . 1 1 120 120 THR H H 120 9.582 9.582 7.877 1.705 18681 2054 1 3 . 1 1 121 121 ALA N N 121 124.210 124.210 125.485 -1.275 18681 2055 1 3 . 1 1 121 121 ALA HA H 121 3.940 3.940 3.859 0.081 18681 2056 1 3 . 1 1 121 121 ALA CA C 121 56.508 56.508 55.424 1.084 18681 2057 1 3 . 1 1 121 121 ALA CB C 121 17.325 17.325 18.096 -0.771 18681 2058 1 3 . 1 1 121 121 ALA H H 121 8.444 8.444 7.826 0.618 18681 2059 1 3 . 1 1 122 122 SER N N 122 111.334 111.334 115.165 -3.831 18681 2060 1 3 . 1 1 122 122 SER HA H 122 4.009 4.009 4.091 -0.082 18681 2061 1 3 . 1 1 122 122 SER CA C 122 62.531 62.531 62.334 0.197 18681 2062 1 3 . 1 1 122 122 SER CB C 122 63.051 63.051 62.972 0.079 18681 2063 1 3 . 1 1 122 122 SER H H 122 7.724 7.724 7.817 -0.093 18681 2064 1 3 . 1 1 123 123 LEU N N 123 122.307 122.307 123.737 -1.430 18681 2065 1 3 . 1 1 123 123 LEU HA H 123 4.092 4.092 4.118 -0.026 18681 2066 1 3 . 1 1 123 123 LEU CA C 123 57.100 57.100 57.790 -0.690 18681 2067 1 3 . 1 1 123 123 LEU CB C 123 41.615 41.615 41.902 -0.287 18681 2068 1 3 . 1 1 123 123 LEU H H 123 7.507 7.507 7.717 -0.210 18681 2069 1 3 . 1 1 124 124 LEU N N 124 117.851 117.851 119.316 -1.465 18681 2070 1 3 . 1 1 124 124 LEU HA H 124 3.935 3.935 3.890 0.045 18681 2071 1 3 . 1 1 124 124 LEU CA C 124 56.967 56.967 58.226 -1.259 18681 2072 1 3 . 1 1 124 124 LEU CB C 124 41.832 41.832 41.789 0.043 18681 2073 1 3 . 1 1 124 124 LEU H H 124 8.457 8.457 7.854 0.603 18681 2074 1 3 . 1 1 125 125 ILE N N 125 118.695 118.695 119.542 -0.847 18681 2075 1 3 . 1 1 125 125 ILE HA H 125 3.718 3.718 3.536 0.182 18681 2076 1 3 . 1 1 125 125 ILE CA C 125 65.097 65.097 65.425 -0.328 18681 2077 1 3 . 1 1 125 125 ILE CB C 125 36.775 36.775 37.629 -0.854 18681 2078 1 3 . 1 1 125 125 ILE H H 125 7.766 7.766 7.791 -0.025 18681 2079 1 3 . 1 1 126 126 ASP N N 126 117.428 117.428 120.544 -3.116 18681 2080 1 3 . 1 1 126 126 ASP HA H 126 4.128 4.128 4.350 -0.222 18681 2081 1 3 . 1 1 126 126 ASP CA C 126 57.998 57.998 56.909 1.089 18681 2082 1 3 . 1 1 126 126 ASP CB C 126 39.372 39.372 39.874 -0.502 18681 2083 1 3 . 1 1 126 126 ASP H H 126 7.288 7.288 7.802 -0.514 18681 2084 1 3 . 1 1 127 127 VAL N N 127 120.003 120.003 118.065 1.938 18681 2085 1 3 . 1 1 127 127 VAL HA H 127 2.992 2.992 3.727 -0.735 18681 2086 1 3 . 1 1 127 127 VAL CA C 127 65.615 65.615 65.402 0.213 18681 2087 1 3 . 1 1 127 127 VAL CB C 127 30.498 30.498 31.807 -1.309 18681 2088 1 3 . 1 1 127 127 VAL H H 127 7.366 7.366 7.236 0.130 18681 2089 1 3 . 1 1 128 128 ILE N N 128 117.743 117.743 117.715 0.028 18681 2090 1 3 . 1 1 128 128 ILE HA H 128 3.956 3.956 4.129 -0.173 18681 2091 1 3 . 1 1 128 128 ILE CA C 128 64.219 64.219 63.619 0.600 18681 2092 1 3 . 1 1 128 128 ILE CB C 128 37.930 37.930 38.515 -0.585 18681 2093 1 3 . 1 1 128 128 ILE H H 128 7.727 7.727 7.503 0.224 18681 2094 1 3 . 1 1 129 129 THR N N 129 114.535 114.535 114.927 -0.392 18681 2095 1 3 . 1 1 129 129 THR HA H 129 4.638 4.638 3.960 0.678 18681 2096 1 3 . 1 1 129 129 THR CA C 129 64.808 64.808 66.250 -1.442 18681 2097 1 3 . 1 1 129 129 THR CB C 129 69.759 69.759 68.696 1.063 18681 2098 1 3 . 1 1 129 129 THR H H 129 7.873 7.873 8.228 -0.355 18681 2099 1 3 . 1 1 130 130 VAL N N 130 118.351 118.351 118.171 0.180 18681 2100 1 3 . 1 1 130 130 VAL HA H 130 4.014 4.014 3.747 0.267 18681 2101 1 3 . 1 1 130 130 VAL CA C 130 64.220 64.220 64.909 -0.689 18681 2102 1 3 . 1 1 130 130 VAL CB C 130 31.307 31.307 31.054 0.253 18681 2103 1 3 . 1 1 130 130 VAL H H 130 8.381 8.381 7.554 0.827 18681 2104 1 3 . 1 1 131 131 PHE N N 131 117.227 117.227 120.069 -2.842 18681 2105 1 3 . 1 1 131 131 PHE HA H 131 4.567 4.567 4.506 0.061 18681 2106 1 3 . 1 1 131 131 PHE CA C 131 57.840 57.840 60.048 -2.208 18681 2107 1 3 . 1 1 131 131 PHE CB C 131 39.029 39.029 39.107 -0.078 18681 2108 1 3 . 1 1 131 131 PHE H H 131 7.638 7.638 8.149 -0.511 18681 2109 1 3 . 1 1 132 132 GLY N N 132 106.811 106.811 105.403 1.408 18681 2110 1 3 . 1 1 132 132 GLY CA C 132 43.921 43.921 44.951 -1.030 18681 2111 1 3 . 1 1 132 132 GLY H H 132 7.433 7.433 7.860 -0.427 18681 2112 1 3 . 1 1 133 133 GLU N N 133 119.340 119.340 121.578 -2.238 18681 2113 1 3 . 1 1 133 133 GLU HA H 133 4.082 4.082 4.661 -0.579 18681 2114 1 3 . 1 1 133 133 GLU CA C 133 56.504 56.504 55.513 0.991 18681 2115 1 3 . 1 1 133 133 GLU CB C 133 30.184 30.184 30.286 -0.102 18681 2116 1 3 . 1 1 133 133 GLU H H 133 8.278 8.278 8.364 -0.086 18681 2117 1 3 . 1 1 134 134 LEU N N 134 122.134 122.134 126.293 -4.159 18681 2118 1 3 . 1 1 134 134 LEU HA H 134 4.405 4.405 4.696 -0.291 18681 2119 1 3 . 1 1 134 134 LEU CA C 134 54.169 54.169 53.862 0.306 18681 2120 1 3 . 1 1 134 134 LEU CB C 134 43.997 43.997 44.064 -0.067 18681 2121 1 3 . 1 1 134 134 LEU H H 134 8.410 8.410 8.502 -0.092 18681 2122 1 3 . 1 1 135 135 THR N N 135 112.032 112.032 117.561 -5.529 18681 2123 1 3 . 1 1 135 135 THR HA H 135 4.220 4.220 4.514 -0.294 18681 2124 1 3 . 1 1 135 135 THR CA C 135 60.449 60.449 60.036 0.413 18681 2125 1 3 . 1 1 135 135 THR CB C 135 70.386 70.386 70.442 -0.056 18681 2126 1 3 . 1 1 135 135 THR H H 135 8.192 8.192 8.108 0.084 18681 2127 1 3 . 1 1 136 136 ASP N N 136 121.429 121.429 122.744 -1.315 18681 2128 1 3 . 1 1 136 136 ASP HA H 136 4.191 4.191 4.372 -0.181 18681 2129 1 3 . 1 1 136 136 ASP CA C 136 57.415 57.415 57.206 0.209 18681 2130 1 3 . 1 1 136 136 ASP CB C 136 40.518 40.518 40.747 -0.229 18681 2131 1 3 . 1 1 136 136 ASP H H 136 8.793 8.793 8.711 0.082 18681 2132 1 3 . 1 1 137 137 GLU N N 137 117.727 117.727 119.774 -2.047 18681 2133 1 3 . 1 1 137 137 GLU HA H 137 3.670 3.670 3.805 -0.135 18681 2134 1 3 . 1 1 137 137 GLU CA C 137 59.503 59.503 59.647 -0.144 18681 2135 1 3 . 1 1 137 137 GLU CB C 137 29.175 29.175 29.124 0.051 18681 2136 1 3 . 1 1 137 137 GLU H H 137 8.427 8.427 7.823 0.604 18681 2137 1 3 . 1 1 138 138 ASN N N 138 118.528 118.528 117.090 1.438 18681 2138 1 3 . 1 1 138 138 ASN HA H 138 4.488 4.488 4.657 -0.169 18681 2139 1 3 . 1 1 138 138 ASN CA C 138 55.536 55.536 56.219 -0.683 18681 2140 1 3 . 1 1 138 138 ASN CB C 138 37.903 37.903 37.972 -0.069 18681 2141 1 3 . 1 1 138 138 ASN H H 138 7.504 7.504 8.291 -0.787 18681 2142 1 3 . 1 1 139 139 VAL N N 139 122.269 122.269 120.581 1.688 18681 2143 1 3 . 1 1 139 139 VAL HA H 139 3.383 3.383 3.579 -0.196 18681 2144 1 3 . 1 1 139 139 VAL CA C 139 67.168 67.168 66.877 0.291 18681 2145 1 3 . 1 1 139 139 VAL CB C 139 31.765 31.765 31.119 0.645 18681 2146 1 3 . 1 1 139 139 VAL H H 139 8.249 8.249 7.921 0.328 18681 2147 1 3 . 1 1 140 140 LYS HA H 140 3.947 3.947 3.819 0.128 18681 2148 1 3 . 1 1 140 140 LYS CA C 140 59.691 59.691 59.899 -0.208 18681 2149 1 3 . 1 1 140 140 LYS CB C 140 32.044 32.044 32.007 0.037 18681 2150 1 3 . 1 1 140 140 LYS H H 140 7.994 7.994 8.248 -0.254 18681 2151 1 3 . 1 1 141 141 HIS N N 141 117.389 117.389 118.643 -1.254 18681 2152 1 3 . 1 1 141 141 HIS HA H 141 4.296 4.296 4.228 0.068 18681 2153 1 3 . 1 1 141 141 HIS CA C 141 57.657 57.657 59.596 -1.939 18681 2154 1 3 . 1 1 141 141 HIS CB C 141 28.500 28.500 29.679 -1.179 18681 2155 1 3 . 1 1 141 141 HIS H H 141 8.491 8.491 7.749 0.742 18681 2156 1 3 . 1 1 142 142 ARG HA H 142 3.728 3.728 4.030 -0.302 18681 2157 1 3 . 1 1 142 142 ARG CA C 142 61.356 61.356 59.564 1.792 18681 2158 1 3 . 1 1 142 142 ARG H H 142 8.529 8.529 8.328 0.201 18681 2159 1 3 . 1 1 143 143 LYS N N 143 117.710 117.710 119.340 -1.630 18681 2160 1 3 . 1 1 143 143 LYS HA H 143 4.050 4.050 3.496 0.554 18681 2161 1 3 . 1 1 143 143 LYS CA C 143 59.368 59.368 59.148 0.220 18681 2162 1 3 . 1 1 143 143 LYS CB C 143 32.794 32.794 31.742 1.052 18681 2163 1 3 . 1 1 143 143 LYS H H 143 7.664 7.664 7.815 -0.151 18681 2164 1 3 . 1 1 144 144 TYR HA H 144 4.275 4.275 4.067 0.208 18681 2165 1 3 . 1 1 144 144 TYR CA C 144 62.445 62.445 61.558 0.887 18681 2166 1 3 . 1 1 144 144 TYR CB C 144 39.542 39.542 38.606 0.936 18681 2167 1 3 . 1 1 144 144 TYR H H 144 8.269 8.269 8.452 -0.183 18681 2168 1 3 . 1 1 145 145 ALA N N 145 118.744 118.744 121.872 -3.128 18681 2169 1 3 . 1 1 145 145 ALA HA H 145 3.667 3.667 3.644 0.023 18681 2170 1 3 . 1 1 145 145 ALA CA C 145 54.777 54.777 55.207 -0.430 18681 2171 1 3 . 1 1 145 145 ALA CB C 145 18.761 18.761 18.311 0.450 18681 2172 1 3 . 1 1 145 145 ALA H H 145 8.825 8.825 8.855 -0.030 18681 2173 1 3 . 1 1 146 146 ARG N N 146 116.092 116.092 118.712 -2.620 18681 2174 1 3 . 1 1 146 146 ARG HA H 146 3.865 3.865 4.084 -0.219 18681 2175 1 3 . 1 1 146 146 ARG CA C 146 59.666 59.666 59.567 0.099 18681 2176 1 3 . 1 1 146 146 ARG CB C 146 30.400 30.400 29.872 0.528 18681 2177 1 3 . 1 1 146 146 ARG H H 146 8.024 8.024 8.227 -0.203 18681 2178 1 3 . 1 1 147 147 TRP N N 147 119.666 119.666 119.544 0.122 18681 2179 1 3 . 1 1 147 147 TRP HA H 147 4.224 4.224 4.432 -0.208 18681 2180 1 3 . 1 1 147 147 TRP CA C 147 60.996 60.996 58.533 2.463 18681 2181 1 3 . 1 1 147 147 TRP CB C 147 28.593 28.593 28.397 0.196 18681 2182 1 3 . 1 1 147 147 TRP H H 147 8.014 8.014 7.942 0.072 18681 2183 1 3 . 1 1 148 148 LYS N N 148 118.775 118.775 119.848 -1.073 18681 2184 1 3 . 1 1 148 148 LYS HA H 148 3.212 3.212 3.726 -0.514 18681 2185 1 3 . 1 1 148 148 LYS CA C 148 58.399 58.399 59.196 -0.797 18681 2186 1 3 . 1 1 148 148 LYS CB C 148 30.846 30.846 31.343 -0.497 18681 2187 1 3 . 1 1 148 148 LYS H H 148 8.619 8.619 8.285 0.334 18681 2188 1 3 . 1 1 149 149 ALA HA H 149 3.889 3.889 3.990 -0.101 18681 2189 1 3 . 1 1 149 149 ALA CA C 149 55.906 55.906 55.505 0.401 18681 2190 1 3 . 1 1 149 149 ALA CB C 149 18.443 18.443 18.096 0.347 18681 2191 1 3 . 1 1 149 149 ALA H H 149 7.813 7.813 8.271 -0.458 18681 2192 1 3 . 1 1 150 150 THR N N 150 112.174 112.174 116.977 -4.803 18681 2193 1 3 . 1 1 150 150 THR HA H 150 3.721 3.721 4.063 -0.342 18681 2194 1 3 . 1 1 150 150 THR CA C 150 66.282 66.282 67.343 -1.061 18681 2195 1 3 . 1 1 150 150 THR CB C 150 68.853 68.853 69.152 -0.299 18681 2196 1 3 . 1 1 150 150 THR H H 150 7.232 7.232 7.877 -0.645 18681 2197 1 3 . 1 1 151 151 TYR N N 151 123.353 123.353 123.374 -0.021 18681 2198 1 3 . 1 1 151 151 TYR HA H 151 4.005 4.005 4.121 -0.116 18681 2199 1 3 . 1 1 151 151 TYR CA C 151 60.334 60.334 61.881 -1.547 18681 2200 1 3 . 1 1 151 151 TYR CB C 151 38.246 38.246 38.161 0.085 18681 2201 1 3 . 1 1 151 151 TYR H H 151 8.513 8.513 8.369 0.144 18681 2202 1 3 . 1 1 152 152 ILE N N 152 119.933 119.933 119.040 0.893 18681 2203 1 3 . 1 1 152 152 ILE HA H 152 2.789 2.789 3.294 -0.505 18681 2204 1 3 . 1 1 152 152 ILE CA C 152 65.885 65.885 66.138 -0.253 18681 2205 1 3 . 1 1 152 152 ILE CB C 152 38.194 38.194 37.692 0.502 18681 2206 1 3 . 1 1 152 152 ILE H H 152 8.860 8.860 8.704 0.156 18681 2207 1 3 . 1 1 153 153 HIS N N 153 117.221 117.221 119.596 -2.375 18681 2208 1 3 . 1 1 153 153 HIS HA H 153 3.957 3.957 4.048 -0.091 18681 2209 1 3 . 1 1 153 153 HIS CA C 153 60.290 60.290 60.413 -0.123 18681 2210 1 3 . 1 1 153 153 HIS CB C 153 30.363 30.363 29.916 0.448 18681 2211 1 3 . 1 1 153 153 HIS H H 153 7.757 7.757 8.258 -0.501 18681 2212 1 3 . 1 1 154 154 ASN N N 154 117.429 117.429 117.891 -0.462 18681 2213 1 3 . 1 1 154 154 ASN HA H 154 4.124 4.124 4.094 0.030 18681 2214 1 3 . 1 1 154 154 ASN CA C 154 55.977 55.977 55.796 0.181 18681 2215 1 3 . 1 1 154 154 ASN CB C 154 37.579 37.579 38.308 -0.729 18681 2216 1 3 . 1 1 154 154 ASN H H 154 8.355 8.355 8.416 -0.061 18681 2217 1 3 . 1 1 155 155 CYS N N 155 118.306 118.306 118.847 -0.541 18681 2218 1 3 . 1 1 155 155 CYS HA H 155 3.881 3.881 3.841 0.040 18681 2219 1 3 . 1 1 155 155 CYS CA C 155 64.039 64.039 64.078 -0.039 18681 2220 1 3 . 1 1 155 155 CYS CB C 155 26.124 26.124 26.569 -0.445 18681 2221 1 3 . 1 1 155 155 CYS H H 155 8.020 8.020 7.974 0.046 18681 2222 1 3 . 1 1 156 156 LEU N N 156 118.448 118.448 119.948 -1.500 18681 2223 1 3 . 1 1 156 156 LEU HA H 156 3.944 3.944 3.903 0.041 18681 2224 1 3 . 1 1 156 156 LEU CA C 156 57.844 57.844 57.865 -0.021 18681 2225 1 3 . 1 1 156 156 LEU CB C 156 40.196 40.196 41.573 -1.377 18681 2226 1 3 . 1 1 156 156 LEU H H 156 8.139 8.139 8.460 -0.321 18681 2227 1 3 . 1 1 157 157 LYS N N 157 120.180 120.180 120.658 -0.478 18681 2228 1 3 . 1 1 157 157 LYS HA H 157 3.896 3.896 3.982 -0.087 18681 2229 1 3 . 1 1 157 157 LYS CA C 157 58.474 58.474 58.714 -0.240 18681 2230 1 3 . 1 1 157 157 LYS CB C 157 31.852 31.852 32.147 -0.295 18681 2231 1 3 . 1 1 157 157 LYS H H 157 7.912 7.912 8.025 -0.113 18681 2232 1 3 . 1 1 158 158 ASN N N 158 115.220 115.220 114.954 0.266 18681 2233 1 3 . 1 1 158 158 ASN HA H 158 4.730 4.730 4.715 0.015 18681 2234 1 3 . 1 1 158 158 ASN CB C 158 39.411 39.411 38.784 0.627 18681 2235 1 3 . 1 1 158 158 ASN H H 158 7.422 7.422 7.703 -0.281 18681 2236 1 3 . 1 1 159 159 GLY N N 159 108.815 108.815 106.896 1.919 18681 2237 1 3 . 1 1 159 159 GLY CA C 159 46.296 46.296 45.623 0.673 18681 2238 1 3 . 1 1 159 159 GLY H H 159 7.752 7.752 7.763 -0.011 18681 2239 1 3 . 1 1 160 160 GLU N N 160 119.601 119.601 120.616 -1.015 18681 2240 1 3 . 1 1 160 160 GLU HA H 160 4.421 4.421 4.482 -0.061 18681 2241 1 3 . 1 1 160 160 GLU CA C 160 54.102 54.102 55.175 -1.073 18681 2242 1 3 . 1 1 160 160 GLU CB C 160 31.969 31.969 31.136 0.833 18681 2243 1 3 . 1 1 160 160 GLU H H 160 8.174 8.174 7.914 0.260 18681 2244 1 3 . 1 1 161 161 THR N N 161 120.600 120.600 114.134 6.466 18681 2245 1 3 . 1 1 161 161 THR HA H 161 4.341 4.341 4.349 -0.008 18681 2246 1 3 . 1 1 161 161 THR CB C 161 69.624 69.624 68.663 0.961 18681 2247 1 3 . 1 1 161 161 THR H H 161 8.714 8.714 8.148 0.566 18681 2248 1 3 . 1 1 162 162 PRO HA H 162 4.277 4.277 4.504 -0.227 18681 2249 1 3 . 1 1 162 162 PRO CA C 162 61.790 61.790 62.359 -0.569 18681 2250 1 3 . 1 1 162 162 PRO CB C 162 31.178 31.178 32.214 -1.036 18681 2251 1 4 . 1 1 2 2 ALA N N 2 125.894 125.894 123.361 2.533 18681 2252 1 4 . 1 1 2 2 ALA HA H 2 4.192 4.192 4.755 -0.563 18681 2253 1 4 . 1 1 2 2 ALA CA C 2 52.096 52.096 51.739 0.357 18681 2254 1 4 . 1 1 2 2 ALA CB C 2 19.072 19.072 20.500 -1.427 18681 2255 1 4 . 1 1 2 2 ALA H H 2 8.413 8.413 8.099 0.314 18681 2256 1 4 . 1 1 3 3 ALA N N 3 123.543 123.543 123.103 0.440 18681 2257 1 4 . 1 1 3 3 ALA HA H 3 4.226 4.226 4.854 -0.628 18681 2258 1 4 . 1 1 3 3 ALA CA C 3 51.943 51.943 51.963 -0.020 18681 2259 1 4 . 1 1 3 3 ALA CB C 3 18.992 18.992 20.088 -1.096 18681 2260 1 4 . 1 1 3 3 ALA H H 3 8.233 8.233 8.071 0.162 18681 2261 1 4 . 1 1 4 4 LEU N N 4 121.641 121.641 121.603 0.038 18681 2262 1 4 . 1 1 4 4 LEU HA H 4 4.284 4.284 4.591 -0.307 18681 2263 1 4 . 1 1 4 4 LEU CA C 4 53.885 53.885 54.137 -0.252 18681 2264 1 4 . 1 1 4 4 LEU CB C 4 42.307 42.307 43.248 -0.942 18681 2265 1 4 . 1 1 4 4 LEU H H 4 8.114 8.114 8.397 -0.283 18681 2266 1 4 . 1 1 5 5 ALA N N 5 128.329 128.329 126.044 2.285 18681 2267 1 4 . 1 1 5 5 ALA HA H 5 4.453 4.453 4.386 0.067 18681 2268 1 4 . 1 1 5 5 ALA CA C 5 50.164 50.164 50.415 -0.251 18681 2269 1 4 . 1 1 5 5 ALA CB C 5 17.687 17.687 18.314 -0.627 18681 2270 1 4 . 1 1 5 5 ALA H H 5 8.623 8.623 8.169 0.454 18681 2271 1 4 . 1 1 6 6 PRO HA H 6 4.274 4.274 4.355 -0.081 18681 2272 1 4 . 1 1 6 6 PRO CA C 6 62.403 62.403 62.619 -0.216 18681 2273 1 4 . 1 1 6 6 PRO CB C 6 32.105 32.105 32.427 -0.322 18681 2274 1 4 . 1 1 7 7 LEU N N 7 122.228 122.228 122.112 0.116 18681 2275 1 4 . 1 1 7 7 LEU HA H 7 4.324 4.324 4.484 -0.160 18681 2276 1 4 . 1 1 7 7 LEU CA C 7 52.914 52.914 52.046 0.868 18681 2277 1 4 . 1 1 7 7 LEU CB C 7 40.952 40.952 40.842 0.110 18681 2278 1 4 . 1 1 7 7 LEU H H 7 8.264 8.264 8.109 0.155 18681 2279 1 4 . 1 1 8 8 PRO HA H 8 4.745 4.745 4.450 0.295 18681 2280 1 4 . 1 1 9 9 PRO HA H 9 4.200 4.200 4.296 -0.096 18681 2281 1 4 . 1 1 9 9 PRO CA C 9 62.648 62.648 63.203 -0.555 18681 2282 1 4 . 1 1 9 9 PRO CB C 9 31.646 31.646 32.215 -0.569 18681 2283 1 4 . 1 1 10 10 LEU N N 10 125.824 125.824 124.547 1.277 18681 2284 1 4 . 1 1 10 10 LEU HA H 10 3.742 3.742 4.524 -0.782 18681 2285 1 4 . 1 1 10 10 LEU CA C 10 53.064 53.064 53.042 0.021 18681 2286 1 4 . 1 1 10 10 LEU CB C 10 42.980 42.980 42.315 0.665 18681 2287 1 4 . 1 1 10 10 LEU H H 10 8.172 8.172 8.276 -0.104 18681 2288 1 4 . 1 1 11 11 PRO HA H 11 4.175 4.175 4.489 -0.314 18681 2289 1 4 . 1 1 11 11 PRO CA C 11 62.124 62.124 62.102 0.022 18681 2290 1 4 . 1 1 11 11 PRO CB C 11 32.442 32.442 32.700 -0.258 18681 2291 1 4 . 1 1 12 12 ALA N N 12 128.292 128.292 124.386 3.906 18681 2292 1 4 . 1 1 12 12 ALA HA H 12 3.920 3.920 4.060 -0.140 18681 2293 1 4 . 1 1 12 12 ALA CA C 12 55.057 55.057 54.503 0.554 18681 2294 1 4 . 1 1 12 12 ALA CB C 12 17.918 17.918 18.689 -0.771 18681 2295 1 4 . 1 1 12 12 ALA H H 12 8.851 8.851 8.561 0.290 18681 2296 1 4 . 1 1 13 13 GLN N N 13 115.075 115.075 116.052 -0.977 18681 2297 1 4 . 1 1 13 13 GLN HA H 13 4.024 4.024 4.211 -0.187 18681 2298 1 4 . 1 1 13 13 GLN CA C 13 58.436 58.436 58.237 0.199 18681 2299 1 4 . 1 1 13 13 GLN CB C 13 28.058 28.058 28.769 -0.711 18681 2300 1 4 . 1 1 13 13 GLN H H 13 9.448 9.448 8.368 1.080 18681 2301 1 4 . 1 1 14 14 PHE N N 14 116.832 116.832 117.509 -0.677 18681 2302 1 4 . 1 1 14 14 PHE HA H 14 4.865 4.865 4.652 0.213 18681 2303 1 4 . 1 1 14 14 PHE CA C 14 52.224 52.224 55.961 -3.737 18681 2304 1 4 . 1 1 14 14 PHE CB C 14 36.841 36.841 38.945 -2.104 18681 2305 1 4 . 1 1 14 14 PHE H H 14 7.970 7.970 7.949 0.021 18681 2306 1 4 . 1 1 15 15 LYS N N 15 120.886 120.886 121.826 -0.940 18681 2307 1 4 . 1 1 15 15 LYS HA H 15 3.852 3.852 3.843 0.009 18681 2308 1 4 . 1 1 15 15 LYS CA C 15 60.248 60.248 59.989 0.259 18681 2309 1 4 . 1 1 15 15 LYS CB C 15 32.137 32.137 31.901 0.237 18681 2310 1 4 . 1 1 15 15 LYS H H 15 7.358 7.358 7.718 -0.360 18681 2311 1 4 . 1 1 16 16 SER N N 16 111.755 111.755 114.762 -3.007 18681 2312 1 4 . 1 1 16 16 SER HA H 16 4.321 4.321 4.265 0.056 18681 2313 1 4 . 1 1 16 16 SER CA C 16 61.099 61.099 60.957 0.142 18681 2314 1 4 . 1 1 16 16 SER CB C 16 62.700 62.700 63.325 -0.625 18681 2315 1 4 . 1 1 16 16 SER H H 16 8.733 8.733 7.933 0.800 18681 2316 1 4 . 1 1 17 17 ILE N N 17 113.676 113.676 114.787 -1.111 18681 2317 1 4 . 1 1 17 17 ILE HA H 17 6.002 6.002 4.738 1.264 18681 2318 1 4 . 1 1 17 17 ILE CA C 17 60.675 60.675 59.463 1.212 18681 2319 1 4 . 1 1 17 17 ILE CB C 17 37.907 37.907 36.974 0.933 18681 2320 1 4 . 1 1 17 17 ILE H H 17 7.692 7.692 8.167 -0.475 18681 2321 1 4 . 1 1 18 18 GLN N N 18 122.213 122.213 122.345 -0.132 18681 2322 1 4 . 1 1 18 18 GLN HA H 18 3.875 3.875 3.934 -0.059 18681 2323 1 4 . 1 1 18 18 GLN CA C 18 59.886 59.886 59.694 0.192 18681 2324 1 4 . 1 1 18 18 GLN CB C 18 29.027 29.027 28.511 0.516 18681 2325 1 4 . 1 1 18 18 GLN H H 18 7.810 7.810 7.751 0.059 18681 2326 1 4 . 1 1 19 19 HIS N N 19 118.333 118.333 116.949 1.384 18681 2327 1 4 . 1 1 19 19 HIS HA H 19 4.547 4.547 4.261 0.286 18681 2328 1 4 . 1 1 19 19 HIS CA C 19 58.358 58.358 60.126 -1.768 18681 2329 1 4 . 1 1 19 19 HIS CB C 19 30.164 30.164 29.654 0.510 18681 2330 1 4 . 1 1 19 19 HIS H H 19 9.436 9.436 8.384 1.052 18681 2331 1 4 . 1 1 20 20 HIS N N 20 124.401 124.401 119.567 4.834 18681 2332 1 4 . 1 1 20 20 HIS HA H 20 3.958 3.958 4.287 -0.329 18681 2333 1 4 . 1 1 20 20 HIS CA C 20 62.329 62.329 59.637 2.692 18681 2334 1 4 . 1 1 20 20 HIS CB C 20 30.170 30.170 29.869 0.301 18681 2335 1 4 . 1 1 20 20 HIS H H 20 8.456 8.456 7.946 0.510 18681 2336 1 4 . 1 1 21 21 LEU N N 21 118.826 118.826 118.312 0.514 18681 2337 1 4 . 1 1 21 21 LEU HA H 21 4.096 4.096 4.032 0.064 18681 2338 1 4 . 1 1 21 21 LEU CA C 21 57.730 57.730 58.435 -0.705 18681 2339 1 4 . 1 1 21 21 LEU CB C 21 41.415 41.415 41.199 0.216 18681 2340 1 4 . 1 1 21 21 LEU H H 21 8.028 8.028 7.885 0.143 18681 2341 1 4 . 1 1 22 22 ARG N N 22 121.674 121.674 119.389 2.285 18681 2342 1 4 . 1 1 22 22 ARG HA H 22 4.227 4.227 4.000 0.227 18681 2343 1 4 . 1 1 22 22 ARG CA C 22 59.535 59.535 59.660 -0.125 18681 2344 1 4 . 1 1 22 22 ARG CB C 22 29.809 29.809 29.794 0.015 18681 2345 1 4 . 1 1 22 22 ARG H H 22 8.103 8.103 8.164 -0.061 18681 2346 1 4 . 1 1 23 23 THR N N 23 116.419 116.419 116.369 0.050 18681 2347 1 4 . 1 1 23 23 THR HA H 23 4.113 4.113 4.061 0.052 18681 2348 1 4 . 1 1 23 23 THR CA C 23 67.072 67.072 66.471 0.601 18681 2349 1 4 . 1 1 23 23 THR CB C 23 68.245 68.245 68.926 -0.681 18681 2350 1 4 . 1 1 23 23 THR H H 23 8.208 8.208 8.328 -0.120 18681 2351 1 4 . 1 1 24 24 ALA N N 24 125.741 125.741 124.057 1.684 18681 2352 1 4 . 1 1 24 24 ALA HA H 24 3.928 3.928 4.157 -0.229 18681 2353 1 4 . 1 1 24 24 ALA CA C 24 56.675 56.675 54.906 1.770 18681 2354 1 4 . 1 1 24 24 ALA CB C 24 19.011 19.011 18.307 0.704 18681 2355 1 4 . 1 1 24 24 ALA H H 24 8.149 8.149 8.489 -0.340 18681 2356 1 4 . 1 1 25 25 GLN N N 25 115.916 115.916 117.893 -1.977 18681 2357 1 4 . 1 1 25 25 GLN HA H 25 4.375 4.375 4.269 0.106 18681 2358 1 4 . 1 1 25 25 GLN CA C 25 58.060 58.060 58.722 -0.662 18681 2359 1 4 . 1 1 25 25 GLN CB C 25 28.423 28.423 29.027 -0.605 18681 2360 1 4 . 1 1 25 25 GLN H H 25 7.785 7.785 8.620 -0.835 18681 2361 1 4 . 1 1 26 26 GLU N N 26 117.821 117.821 115.710 2.111 18681 2362 1 4 . 1 1 26 26 GLU HA H 26 4.089 4.089 4.186 -0.097 18681 2363 1 4 . 1 1 26 26 GLU CA C 26 58.165 58.165 57.893 0.272 18681 2364 1 4 . 1 1 26 26 GLU CB C 26 29.323 29.323 29.100 0.223 18681 2365 1 4 . 1 1 26 26 GLU H H 26 8.457 8.457 7.829 0.628 18681 2366 1 4 . 1 1 27 27 HIS N N 27 115.762 115.762 118.383 -2.621 18681 2367 1 4 . 1 1 27 27 HIS HA H 27 4.380 4.380 4.643 -0.263 18681 2368 1 4 . 1 1 27 27 HIS CA C 27 59.076 59.076 58.656 0.420 18681 2369 1 4 . 1 1 27 27 HIS CB C 27 29.049 29.049 30.535 -1.486 18681 2370 1 4 . 1 1 27 27 HIS H H 27 7.962 7.962 7.799 0.163 18681 2371 1 4 . 1 1 28 28 ASP N N 28 123.640 123.640 120.065 3.575 18681 2372 1 4 . 1 1 28 28 ASP HA H 28 4.332 4.332 4.483 -0.151 18681 2373 1 4 . 1 1 28 28 ASP CA C 28 58.935 58.935 57.546 1.389 18681 2374 1 4 . 1 1 28 28 ASP CB C 28 40.355 40.355 40.967 -0.612 18681 2375 1 4 . 1 1 28 28 ASP H H 28 7.593 7.593 8.073 -0.480 18681 2376 1 4 . 1 1 29 29 LYS N N 29 113.398 113.398 113.844 -0.446 18681 2377 1 4 . 1 1 29 29 LYS HA H 29 4.395 4.395 4.243 0.152 18681 2378 1 4 . 1 1 29 29 LYS CA C 29 56.654 56.654 57.718 -1.064 18681 2379 1 4 . 1 1 29 29 LYS CB C 29 32.708 32.708 32.150 0.558 18681 2380 1 4 . 1 1 29 29 LYS H H 29 8.013 8.013 8.145 -0.132 18681 2381 1 4 . 1 1 30 30 ARG N N 30 117.542 117.542 120.105 -2.563 18681 2382 1 4 . 1 1 30 30 ARG HA H 30 4.244 4.244 4.393 -0.149 18681 2383 1 4 . 1 1 30 30 ARG CA C 30 57.994 57.994 57.137 0.857 18681 2384 1 4 . 1 1 30 30 ARG CB C 30 32.658 32.658 32.360 0.298 18681 2385 1 4 . 1 1 30 30 ARG H H 30 7.873 7.873 7.403 0.470 18681 2386 1 4 . 1 1 31 31 ASP N N 31 112.265 112.265 118.087 -5.822 18681 2387 1 4 . 1 1 31 31 ASP HA H 31 4.866 4.866 5.138 -0.272 18681 2388 1 4 . 1 1 31 31 ASP CA C 31 52.200 52.200 51.794 0.407 18681 2389 1 4 . 1 1 31 31 ASP CB C 31 40.932 40.932 43.190 -2.258 18681 2390 1 4 . 1 1 31 31 ASP H H 31 8.808 8.808 8.580 0.228 18681 2391 1 4 . 1 1 32 32 PRO HA H 32 4.411 4.411 4.295 0.116 18681 2392 1 4 . 1 1 32 32 PRO CA C 32 63.963 63.963 64.961 -0.998 18681 2393 1 4 . 1 1 32 32 PRO CB C 32 32.908 32.908 32.261 0.647 18681 2394 1 4 . 1 1 33 33 VAL N N 33 117.414 117.414 116.571 0.843 18681 2395 1 4 . 1 1 33 33 VAL HA H 33 3.480 3.480 3.594 -0.114 18681 2396 1 4 . 1 1 33 33 VAL CA C 33 66.518 66.518 66.552 -0.034 18681 2397 1 4 . 1 1 33 33 VAL CB C 33 31.120 31.120 30.867 0.253 18681 2398 1 4 . 1 1 33 33 VAL H H 33 7.656 7.656 7.803 -0.147 18681 2399 1 4 . 1 1 34 34 VAL N N 34 120.456 120.456 119.979 0.477 18681 2400 1 4 . 1 1 34 34 VAL HA H 34 3.561 3.561 3.498 0.063 18681 2401 1 4 . 1 1 34 34 VAL CA C 34 66.828 66.828 66.739 0.089 18681 2402 1 4 . 1 1 34 34 VAL CB C 34 32.442 32.442 30.834 1.608 18681 2403 1 4 . 1 1 34 34 VAL H H 34 7.234 7.234 7.559 -0.325 18681 2404 1 4 . 1 1 35 35 ALA N N 35 121.869 121.869 122.611 -0.742 18681 2405 1 4 . 1 1 35 35 ALA HA H 35 3.909 3.909 4.020 -0.111 18681 2406 1 4 . 1 1 35 35 ALA CA C 35 56.024 56.024 55.243 0.781 18681 2407 1 4 . 1 1 35 35 ALA CB C 35 19.264 19.264 18.315 0.949 18681 2408 1 4 . 1 1 35 35 ALA H H 35 8.096 8.096 7.745 0.351 18681 2409 1 4 . 1 1 36 36 TYR N N 36 117.995 117.995 120.816 -2.821 18681 2410 1 4 . 1 1 36 36 TYR HA H 36 3.826 3.826 3.918 -0.092 18681 2411 1 4 . 1 1 36 36 TYR CA C 36 62.044 62.044 62.671 -0.627 18681 2412 1 4 . 1 1 36 36 TYR CB C 36 38.136 38.136 38.410 -0.273 18681 2413 1 4 . 1 1 36 36 TYR H H 36 8.271 8.271 8.427 -0.156 18681 2414 1 4 . 1 1 37 37 TYR N N 37 116.773 116.773 117.149 -0.376 18681 2415 1 4 . 1 1 37 37 TYR HA H 37 4.046 4.046 4.270 -0.224 18681 2416 1 4 . 1 1 37 37 TYR CA C 37 63.831 63.831 62.001 1.831 18681 2417 1 4 . 1 1 37 37 TYR CB C 37 37.749 37.749 38.178 -0.429 18681 2418 1 4 . 1 1 37 37 TYR H H 37 8.213 8.213 7.936 0.277 18681 2419 1 4 . 1 1 38 38 CYS N N 38 116.194 116.194 119.123 -2.929 18681 2420 1 4 . 1 1 38 38 CYS HA H 38 4.370 4.370 4.000 0.370 18681 2421 1 4 . 1 1 38 38 CYS CA C 38 64.389 64.389 63.624 0.765 18681 2422 1 4 . 1 1 38 38 CYS CB C 38 27.945 27.945 27.597 0.348 18681 2423 1 4 . 1 1 38 38 CYS H H 38 8.695 8.695 8.797 -0.102 18681 2424 1 4 . 1 1 39 39 ARG N N 39 117.023 117.023 119.406 -2.383 18681 2425 1 4 . 1 1 39 39 ARG HA H 39 3.804 3.804 4.005 -0.201 18681 2426 1 4 . 1 1 39 39 ARG CA C 39 60.198 60.198 58.804 1.394 18681 2427 1 4 . 1 1 39 39 ARG H H 39 7.005 7.005 8.305 -1.300 18681 2428 1 4 . 1 1 40 40 LEU N N 40 123.317 123.317 121.152 2.165 18681 2429 1 4 . 1 1 40 40 LEU HA H 40 3.813 3.813 3.904 -0.091 18681 2430 1 4 . 1 1 40 40 LEU CA C 40 58.181 58.181 57.818 0.363 18681 2431 1 4 . 1 1 40 40 LEU CB C 40 42.085 42.085 41.238 0.847 18681 2432 1 4 . 1 1 40 40 LEU H H 40 8.326 8.326 7.480 0.846 18681 2433 1 4 . 1 1 41 41 TYR N N 41 118.320 118.320 119.714 -1.394 18681 2434 1 4 . 1 1 41 41 TYR HA H 41 3.732 3.732 3.888 -0.156 18681 2435 1 4 . 1 1 41 41 TYR CA C 41 61.418 61.418 59.297 2.121 18681 2436 1 4 . 1 1 41 41 TYR CB C 41 38.953 38.953 37.539 1.413 18681 2437 1 4 . 1 1 41 41 TYR H H 41 8.533 8.533 7.878 0.655 18681 2438 1 4 . 1 1 42 42 ALA N N 42 123.644 123.644 121.464 2.180 18681 2439 1 4 . 1 1 42 42 ALA HA H 42 3.482 3.482 3.553 -0.071 18681 2440 1 4 . 1 1 42 42 ALA CA C 42 55.157 55.157 54.700 0.457 18681 2441 1 4 . 1 1 42 42 ALA CB C 42 18.413 18.413 18.260 0.153 18681 2442 1 4 . 1 1 42 42 ALA H H 42 7.962 7.962 7.496 0.466 18681 2443 1 4 . 1 1 43 43 MET N N 43 117.932 117.932 118.738 -0.806 18681 2444 1 4 . 1 1 43 43 MET HA H 43 3.696 3.696 3.876 -0.180 18681 2445 1 4 . 1 1 43 43 MET CA C 43 58.675 58.675 60.038 -1.363 18681 2446 1 4 . 1 1 43 43 MET H H 43 8.433 8.433 7.977 0.456 18681 2447 1 4 . 1 1 44 44 GLN N N 44 116.738 116.738 118.345 -1.607 18681 2448 1 4 . 1 1 44 44 GLN HA H 44 3.773 3.773 3.930 -0.157 18681 2449 1 4 . 1 1 44 44 GLN CA C 44 58.924 58.924 59.056 -0.132 18681 2450 1 4 . 1 1 44 44 GLN CB C 44 27.921 27.921 28.621 -0.700 18681 2451 1 4 . 1 1 44 44 GLN H H 44 8.307 8.307 7.899 0.408 18681 2452 1 4 . 1 1 45 45 THR N N 45 116.249 116.249 115.660 0.589 18681 2453 1 4 . 1 1 45 45 THR HA H 45 3.479 3.479 3.915 -0.436 18681 2454 1 4 . 1 1 45 45 THR CA C 45 66.529 66.529 66.266 0.263 18681 2455 1 4 . 1 1 45 45 THR CB C 45 67.635 67.635 68.415 -0.780 18681 2456 1 4 . 1 1 45 45 THR H H 45 7.954 7.954 7.837 0.117 18681 2457 1 4 . 1 1 46 46 GLY N N 46 110.016 110.016 109.880 0.136 18681 2458 1 4 . 1 1 46 46 GLY CA C 46 46.653 46.653 46.952 -0.298 18681 2459 1 4 . 1 1 46 46 GLY H H 46 8.429 8.429 8.369 0.060 18681 2460 1 4 . 1 1 47 47 MET N N 47 118.040 118.040 119.486 -1.446 18681 2461 1 4 . 1 1 47 47 MET HA H 47 3.876 3.876 4.621 -0.745 18681 2462 1 4 . 1 1 47 47 MET CA C 47 58.136 58.136 57.925 0.211 18681 2463 1 4 . 1 1 47 47 MET CB C 47 32.445 32.445 32.125 0.320 18681 2464 1 4 . 1 1 47 47 MET H H 47 8.160 8.160 8.493 -0.333 18681 2465 1 4 . 1 1 48 48 LYS N N 48 116.712 116.712 120.540 -3.828 18681 2466 1 4 . 1 1 48 48 LYS HA H 48 4.012 4.012 4.019 -0.007 18681 2467 1 4 . 1 1 48 48 LYS CA C 48 57.945 57.945 59.025 -1.080 18681 2468 1 4 . 1 1 48 48 LYS CB C 48 32.533 32.533 32.391 0.142 18681 2469 1 4 . 1 1 48 48 LYS H H 48 6.958 6.958 7.508 -0.550 18681 2470 1 4 . 1 1 49 49 ILE N N 49 120.903 120.903 117.216 3.687 18681 2471 1 4 . 1 1 49 49 ILE HA H 49 3.718 3.718 3.857 -0.139 18681 2472 1 4 . 1 1 49 49 ILE CA C 49 64.863 64.863 63.929 0.934 18681 2473 1 4 . 1 1 49 49 ILE CB C 49 39.087 39.087 38.667 0.420 18681 2474 1 4 . 1 1 49 49 ILE H H 49 7.609 7.609 7.515 0.094 18681 2475 1 4 . 1 1 50 50 ASP N N 50 115.959 115.959 118.222 -2.263 18681 2476 1 4 . 1 1 50 50 ASP HA H 50 4.488 4.488 4.985 -0.497 18681 2477 1 4 . 1 1 50 50 ASP CA C 50 55.393 55.393 53.545 1.848 18681 2478 1 4 . 1 1 50 50 ASP CB C 50 40.952 40.952 42.154 -1.202 18681 2479 1 4 . 1 1 50 50 ASP H H 50 8.214 8.214 7.678 0.536 18681 2480 1 4 . 1 1 51 51 SER N N 51 115.917 115.917 118.683 -2.766 18681 2481 1 4 . 1 1 51 51 SER HA H 51 4.566 4.566 4.292 0.274 18681 2482 1 4 . 1 1 51 51 SER CA C 51 56.544 56.544 61.264 -4.720 18681 2483 1 4 . 1 1 51 51 SER CB C 51 64.126 64.126 63.805 0.321 18681 2484 1 4 . 1 1 51 51 SER H H 51 8.438 8.438 8.743 -0.305 18681 2485 1 4 . 1 1 52 52 LYS N N 52 122.213 122.213 117.692 4.521 18681 2486 1 4 . 1 1 52 52 LYS HA H 52 4.438 4.438 4.537 -0.099 18681 2487 1 4 . 1 1 52 52 LYS CB C 52 35.344 35.344 33.600 1.744 18681 2488 1 4 . 1 1 52 52 LYS H H 52 8.937 8.937 7.844 1.093 18681 2489 1 4 . 1 1 53 53 THR N N 53 122.291 122.291 119.332 2.959 18681 2490 1 4 . 1 1 53 53 THR HA H 53 4.273 4.273 4.775 -0.502 18681 2491 1 4 . 1 1 53 53 THR CA C 53 61.837 61.837 58.481 3.356 18681 2492 1 4 . 1 1 53 53 THR CB C 53 68.067 68.067 70.595 -2.528 18681 2493 1 4 . 1 1 53 53 THR H H 53 9.437 9.437 8.146 1.291 18681 2494 1 4 . 1 1 54 54 PRO HA H 54 4.050 4.050 4.133 -0.083 18681 2495 1 4 . 1 1 54 54 PRO CA C 54 66.870 66.870 65.896 0.974 18681 2496 1 4 . 1 1 54 54 PRO CB C 54 31.670 31.670 31.937 -0.267 18681 2497 1 4 . 1 1 55 55 GLU N N 55 116.532 116.532 117.236 -0.704 18681 2498 1 4 . 1 1 55 55 GLU HA H 55 4.024 4.024 4.251 -0.227 18681 2499 1 4 . 1 1 55 55 GLU CA C 55 59.870 59.870 58.800 1.070 18681 2500 1 4 . 1 1 55 55 GLU CB C 55 28.759 28.759 29.322 -0.563 18681 2501 1 4 . 1 1 55 55 GLU H H 55 9.352 9.352 8.724 0.628 18681 2502 1 4 . 1 1 56 56 CYS N N 56 119.066 119.066 118.506 0.560 18681 2503 1 4 . 1 1 56 56 CYS HA H 56 3.759 3.759 3.906 -0.147 18681 2504 1 4 . 1 1 56 56 CYS CA C 56 63.167 63.167 62.824 0.343 18681 2505 1 4 . 1 1 56 56 CYS CB C 56 26.891 26.891 26.718 0.173 18681 2506 1 4 . 1 1 56 56 CYS H H 56 7.126 7.126 8.240 -1.114 18681 2507 1 4 . 1 1 57 57 ARG N N 57 119.779 119.779 121.422 -1.643 18681 2508 1 4 . 1 1 57 57 ARG HA H 57 3.876 3.876 3.919 -0.043 18681 2509 1 4 . 1 1 57 57 ARG CA C 57 60.025 60.025 59.806 0.219 18681 2510 1 4 . 1 1 57 57 ARG H H 57 8.252 8.252 8.665 -0.413 18681 2511 1 4 . 1 1 58 58 LYS N N 58 119.155 119.155 117.558 1.597 18681 2512 1 4 . 1 1 58 58 LYS HA H 58 4.056 4.056 4.068 -0.012 18681 2513 1 4 . 1 1 58 58 LYS CA C 58 59.205 59.205 59.059 0.146 18681 2514 1 4 . 1 1 58 58 LYS CB C 58 32.127 32.127 31.656 0.471 18681 2515 1 4 . 1 1 58 58 LYS H H 58 8.394 8.394 7.878 0.516 18681 2516 1 4 . 1 1 59 59 PHE N N 59 119.989 119.989 121.842 -1.853 18681 2517 1 4 . 1 1 59 59 PHE HA H 59 3.748 3.748 4.145 -0.397 18681 2518 1 4 . 1 1 59 59 PHE CA C 59 63.103 63.103 61.641 1.462 18681 2519 1 4 . 1 1 59 59 PHE CB C 59 39.644 39.644 39.361 0.283 18681 2520 1 4 . 1 1 59 59 PHE H H 59 7.720 7.720 7.458 0.262 18681 2521 1 4 . 1 1 60 60 LEU N N 60 117.203 117.203 119.814 -2.611 18681 2522 1 4 . 1 1 60 60 LEU HA H 60 3.991 3.991 4.038 -0.047 18681 2523 1 4 . 1 1 60 60 LEU CA C 60 57.969 57.969 58.151 -0.182 18681 2524 1 4 . 1 1 60 60 LEU CB C 60 41.187 41.187 41.706 -0.519 18681 2525 1 4 . 1 1 60 60 LEU H H 60 8.685 8.685 8.996 -0.311 18681 2526 1 4 . 1 1 61 61 SER N N 61 114.724 114.724 115.868 -1.144 18681 2527 1 4 . 1 1 61 61 SER HA H 61 4.188 4.188 4.101 0.087 18681 2528 1 4 . 1 1 61 61 SER CA C 61 61.650 61.650 62.359 -0.709 18681 2529 1 4 . 1 1 61 61 SER CB C 61 62.589 62.589 62.834 -0.245 18681 2530 1 4 . 1 1 61 61 SER H H 61 8.107 8.107 8.051 0.056 18681 2531 1 4 . 1 1 62 62 LYS N N 62 120.164 120.164 121.335 -1.171 18681 2532 1 4 . 1 1 62 62 LYS HA H 62 4.147 4.147 4.011 0.136 18681 2533 1 4 . 1 1 62 62 LYS CA C 62 57.139 57.139 59.195 -2.056 18681 2534 1 4 . 1 1 62 62 LYS CB C 62 30.881 30.881 32.302 -1.421 18681 2535 1 4 . 1 1 62 62 LYS H H 62 7.541 7.541 7.757 -0.216 18681 2536 1 4 . 1 1 63 63 LEU N N 63 123.446 123.446 121.928 1.518 18681 2537 1 4 . 1 1 63 63 LEU HA H 63 3.926 3.926 3.841 0.085 18681 2538 1 4 . 1 1 63 63 LEU CA C 63 57.709 57.709 58.025 -0.316 18681 2539 1 4 . 1 1 63 63 LEU CB C 63 41.222 41.222 41.802 -0.580 18681 2540 1 4 . 1 1 63 63 LEU H H 63 8.238 8.238 8.126 0.112 18681 2541 1 4 . 1 1 64 64 MET N N 64 120.864 120.864 117.619 3.245 18681 2542 1 4 . 1 1 64 64 MET HA H 64 4.143 4.143 4.109 0.034 18681 2543 1 4 . 1 1 64 64 MET CA C 64 58.644 58.644 57.215 1.429 18681 2544 1 4 . 1 1 64 64 MET CB C 64 31.625 31.625 31.490 0.135 18681 2545 1 4 . 1 1 64 64 MET H H 64 8.608 8.608 8.537 0.071 18681 2546 1 4 . 1 1 65 65 ASP N N 65 119.121 119.121 120.789 -1.668 18681 2547 1 4 . 1 1 65 65 ASP HA H 65 4.373 4.373 4.426 -0.053 18681 2548 1 4 . 1 1 65 65 ASP CA C 65 57.390 57.390 57.027 0.363 18681 2549 1 4 . 1 1 65 65 ASP CB C 65 39.956 39.956 40.755 -0.799 18681 2550 1 4 . 1 1 65 65 ASP H H 65 7.857 7.857 7.990 -0.133 18681 2551 1 4 . 1 1 66 66 GLN N N 66 119.748 119.748 119.830 -0.082 18681 2552 1 4 . 1 1 66 66 GLN HA H 66 4.084 4.084 4.031 0.053 18681 2553 1 4 . 1 1 66 66 GLN CB C 66 28.222 28.222 28.513 -0.291 18681 2554 1 4 . 1 1 66 66 GLN H H 66 7.703 7.703 8.112 -0.409 18681 2555 1 4 . 1 1 67 67 LEU N N 67 120.349 120.349 121.019 -0.670 18681 2556 1 4 . 1 1 67 67 LEU HA H 67 3.890 3.890 3.853 0.037 18681 2557 1 4 . 1 1 67 67 LEU CA C 67 58.914 58.914 58.404 0.510 18681 2558 1 4 . 1 1 67 67 LEU H H 67 8.356 8.356 7.742 0.614 18681 2559 1 4 . 1 1 68 68 GLU N N 68 118.268 118.268 119.481 -1.213 18681 2560 1 4 . 1 1 68 68 GLU HA H 68 4.018 4.018 3.867 0.151 18681 2561 1 4 . 1 1 68 68 GLU CA C 68 59.174 59.174 59.591 -0.417 18681 2562 1 4 . 1 1 68 68 GLU CB C 68 29.419 29.419 29.695 -0.276 18681 2563 1 4 . 1 1 68 68 GLU H H 68 8.547 8.547 8.090 0.457 18681 2564 1 4 . 1 1 69 69 ALA N N 69 122.349 122.349 122.334 0.015 18681 2565 1 4 . 1 1 69 69 ALA HA H 69 4.126 4.126 4.075 0.051 18681 2566 1 4 . 1 1 69 69 ALA CA C 69 54.937 54.937 55.147 -0.210 18681 2567 1 4 . 1 1 69 69 ALA CB C 69 18.147 18.147 18.193 -0.046 18681 2568 1 4 . 1 1 69 69 ALA H H 69 7.853 7.853 8.260 -0.407 18681 2569 1 4 . 1 1 70 70 LEU N N 70 120.257 120.257 119.207 1.050 18681 2570 1 4 . 1 1 70 70 LEU HA H 70 4.016 4.016 3.886 0.130 18681 2571 1 4 . 1 1 70 70 LEU CA C 70 57.750 57.750 57.886 -0.136 18681 2572 1 4 . 1 1 70 70 LEU CB C 70 42.623 42.623 41.717 0.906 18681 2573 1 4 . 1 1 70 70 LEU H H 70 8.553 8.553 7.748 0.805 18681 2574 1 4 . 1 1 71 71 LYS HA H 71 3.431 3.431 3.800 -0.369 18681 2575 1 4 . 1 1 71 71 LYS CB C 71 32.132 32.132 32.309 -0.177 18681 2576 1 4 . 1 1 71 71 LYS H H 71 8.636 8.636 7.895 0.741 18681 2577 1 4 . 1 1 72 72 LYS N N 72 117.417 117.417 118.092 -0.675 18681 2578 1 4 . 1 1 72 72 LYS HA H 72 4.007 4.007 3.998 0.009 18681 2579 1 4 . 1 1 72 72 LYS CA C 72 58.936 58.936 58.787 0.149 18681 2580 1 4 . 1 1 72 72 LYS H H 72 7.620 7.620 7.765 -0.145 18681 2581 1 4 . 1 1 73 73 GLN N N 73 119.180 119.180 118.287 0.893 18681 2582 1 4 . 1 1 73 73 GLN HA H 73 4.027 4.027 4.064 -0.037 18681 2583 1 4 . 1 1 73 73 GLN CA C 73 58.084 58.084 58.314 -0.230 18681 2584 1 4 . 1 1 73 73 GLN CB C 73 29.044 29.044 28.801 0.243 18681 2585 1 4 . 1 1 73 73 GLN H H 73 7.798 7.798 7.830 -0.032 18681 2586 1 4 . 1 1 74 74 LEU N N 74 118.230 118.230 117.368 0.862 18681 2587 1 4 . 1 1 74 74 LEU HA H 74 4.258 4.258 3.980 0.278 18681 2588 1 4 . 1 1 74 74 LEU CA C 74 55.050 55.050 56.118 -1.068 18681 2589 1 4 . 1 1 74 74 LEU CB C 74 42.380 42.380 42.550 -0.170 18681 2590 1 4 . 1 1 74 74 LEU H H 74 8.050 8.050 7.768 0.282 18681 2591 1 4 . 1 1 75 75 GLY N N 75 106.441 106.441 106.773 -0.332 18681 2592 1 4 . 1 1 75 75 GLY CA C 75 47.098 47.098 45.348 1.750 18681 2593 1 4 . 1 1 75 75 GLY H H 75 7.420 7.420 8.291 -0.871 18681 2594 1 4 . 1 1 76 76 ASP N N 76 121.520 121.520 126.815 -5.295 18681 2595 1 4 . 1 1 76 76 ASP HA H 76 4.533 4.533 4.768 -0.235 18681 2596 1 4 . 1 1 76 76 ASP CA C 76 53.148 53.148 53.068 0.080 18681 2597 1 4 . 1 1 76 76 ASP CB C 76 39.714 39.714 40.140 -0.426 18681 2598 1 4 . 1 1 76 76 ASP H H 76 8.332 8.332 8.350 -0.018 18681 2599 1 4 . 1 1 77 77 ASN N N 77 121.250 121.250 122.503 -1.253 18681 2600 1 4 . 1 1 77 77 ASN HA H 77 4.489 4.489 4.869 -0.380 18681 2601 1 4 . 1 1 77 77 ASN CA C 77 54.063 54.063 52.437 1.626 18681 2602 1 4 . 1 1 77 77 ASN CB C 77 40.058 40.058 41.802 -1.744 18681 2603 1 4 . 1 1 77 77 ASN H H 77 7.725 7.725 7.987 -0.262 18681 2604 1 4 . 1 1 78 78 GLU N N 78 129.390 129.390 124.454 4.936 18681 2605 1 4 . 1 1 78 78 GLU HA H 78 4.225 4.225 4.075 0.150 18681 2606 1 4 . 1 1 78 78 GLU CA C 78 58.888 58.888 59.860 -0.972 18681 2607 1 4 . 1 1 78 78 GLU CB C 78 29.698 29.698 29.877 -0.179 18681 2608 1 4 . 1 1 78 78 GLU H H 78 9.282 9.282 8.922 0.360 18681 2609 1 4 . 1 1 79 79 ALA N N 79 116.576 116.576 117.888 -1.312 18681 2610 1 4 . 1 1 79 79 ALA HA H 79 4.079 4.079 4.322 -0.243 18681 2611 1 4 . 1 1 79 79 ALA CA C 79 53.222 53.222 53.846 -0.624 18681 2612 1 4 . 1 1 79 79 ALA CB C 79 19.347 19.347 18.522 0.825 18681 2613 1 4 . 1 1 79 79 ALA H H 79 8.285 8.285 8.359 -0.074 18681 2614 1 4 . 1 1 80 80 ILE N N 80 116.410 116.410 114.832 1.578 18681 2615 1 4 . 1 1 80 80 ILE HA H 80 4.043 4.043 3.882 0.161 18681 2616 1 4 . 1 1 80 80 ILE CA C 80 59.695 59.695 61.557 -1.862 18681 2617 1 4 . 1 1 80 80 ILE CB C 80 36.642 36.642 38.928 -2.286 18681 2618 1 4 . 1 1 80 80 ILE H H 80 7.857 7.857 7.447 0.410 18681 2619 1 4 . 1 1 81 81 THR N N 81 110.649 110.649 111.482 -0.833 18681 2620 1 4 . 1 1 81 81 THR HA H 81 4.079 4.079 4.301 -0.222 18681 2621 1 4 . 1 1 81 81 THR CA C 81 63.509 63.509 62.650 0.859 18681 2622 1 4 . 1 1 81 81 THR CB C 81 68.764 68.764 69.897 -1.133 18681 2623 1 4 . 1 1 81 81 THR H H 81 7.869 7.869 7.874 -0.005 18681 2624 1 4 . 1 1 82 82 GLN N N 82 120.522 120.522 122.099 -1.577 18681 2625 1 4 . 1 1 82 82 GLN HA H 82 4.743 4.743 4.636 0.107 18681 2626 1 4 . 1 1 82 82 GLN CB C 82 29.184 29.184 30.400 -1.216 18681 2627 1 4 . 1 1 82 82 GLN H H 82 8.016 8.016 7.818 0.198 18681 2628 1 4 . 1 1 83 83 GLU N N 83 126.907 126.907 127.261 -0.354 18681 2629 1 4 . 1 1 83 83 GLU HA H 83 4.011 4.011 4.100 -0.089 18681 2630 1 4 . 1 1 83 83 GLU CA C 83 60.736 60.736 59.252 1.484 18681 2631 1 4 . 1 1 83 83 GLU CB C 83 29.353 29.353 29.311 0.042 18681 2632 1 4 . 1 1 83 83 GLU H H 83 9.146 9.146 9.082 0.064 18681 2633 1 4 . 1 1 84 84 ILE N N 84 115.693 115.693 115.014 0.679 18681 2634 1 4 . 1 1 84 84 ILE HA H 84 3.764 3.764 3.576 0.188 18681 2635 1 4 . 1 1 84 84 ILE CA C 84 63.908 63.908 64.459 -0.551 18681 2636 1 4 . 1 1 84 84 ILE CB C 84 37.762 37.762 37.091 0.671 18681 2637 1 4 . 1 1 84 84 ILE H H 84 8.460 8.460 7.769 0.691 18681 2638 1 4 . 1 1 85 85 VAL N N 85 123.415 123.415 120.721 2.694 18681 2639 1 4 . 1 1 85 85 VAL HA H 85 3.714 3.714 3.646 0.068 18681 2640 1 4 . 1 1 85 85 VAL CA C 85 65.226 65.226 66.470 -1.244 18681 2641 1 4 . 1 1 85 85 VAL CB C 85 31.142 31.142 31.056 0.086 18681 2642 1 4 . 1 1 85 85 VAL H H 85 7.034 7.034 7.638 -0.604 18681 2643 1 4 . 1 1 86 86 GLY N N 86 110.422 110.422 106.996 3.426 18681 2644 1 4 . 1 1 86 86 GLY CA C 86 49.167 49.167 47.173 1.994 18681 2645 1 4 . 1 1 86 86 GLY H H 86 8.139 8.139 7.829 0.310 18681 2646 1 4 . 1 1 87 87 CYS N N 87 121.087 121.087 120.489 0.598 18681 2647 1 4 . 1 1 87 87 CYS HA H 87 2.923 2.923 3.603 -0.680 18681 2648 1 4 . 1 1 87 87 CYS CA C 87 62.064 62.064 64.193 -2.129 18681 2649 1 4 . 1 1 87 87 CYS CB C 87 25.682 25.682 27.105 -1.423 18681 2650 1 4 . 1 1 87 87 CYS H H 87 8.052 8.052 7.914 0.138 18681 2651 1 4 . 1 1 88 88 ALA N N 88 119.739 119.739 122.975 -3.236 18681 2652 1 4 . 1 1 88 88 ALA HA H 88 4.109 4.109 4.008 0.101 18681 2653 1 4 . 1 1 88 88 ALA CA C 88 54.895 54.895 54.718 0.177 18681 2654 1 4 . 1 1 88 88 ALA CB C 88 17.680 17.680 18.078 -0.398 18681 2655 1 4 . 1 1 88 88 ALA H H 88 7.230 7.230 7.724 -0.494 18681 2656 1 4 . 1 1 89 89 HIS N N 89 118.056 118.056 119.097 -1.041 18681 2657 1 4 . 1 1 89 89 HIS HA H 89 4.172 4.172 4.214 -0.042 18681 2658 1 4 . 1 1 89 89 HIS CA C 89 59.587 59.587 60.169 -0.582 18681 2659 1 4 . 1 1 89 89 HIS CB C 89 30.446 30.446 29.990 0.456 18681 2660 1 4 . 1 1 89 89 HIS H H 89 8.190 8.190 7.702 0.488 18681 2661 1 4 . 1 1 90 90 LEU N N 90 120.375 120.375 119.491 0.884 18681 2662 1 4 . 1 1 90 90 LEU HA H 90 3.953 3.953 3.934 0.019 18681 2663 1 4 . 1 1 90 90 LEU CA C 90 57.959 57.959 58.386 -0.427 18681 2664 1 4 . 1 1 90 90 LEU CB C 90 41.434 41.434 41.576 -0.142 18681 2665 1 4 . 1 1 90 90 LEU H H 90 8.115 8.115 7.913 0.202 18681 2666 1 4 . 1 1 91 91 GLU N N 91 119.711 119.711 120.104 -0.393 18681 2667 1 4 . 1 1 91 91 GLU HA H 91 3.801 3.801 3.832 -0.031 18681 2668 1 4 . 1 1 91 91 GLU CA C 91 60.130 60.130 59.844 0.286 18681 2669 1 4 . 1 1 91 91 GLU CB C 91 29.870 29.870 29.397 0.473 18681 2670 1 4 . 1 1 91 91 GLU H H 91 9.186 9.186 8.045 1.141 18681 2671 1 4 . 1 1 92 92 ASN N N 92 116.626 116.626 117.670 -1.044 18681 2672 1 4 . 1 1 92 92 ASN HA H 92 4.411 4.411 4.412 -0.001 18681 2673 1 4 . 1 1 92 92 ASN CA C 92 56.280 56.280 55.993 0.286 18681 2674 1 4 . 1 1 92 92 ASN CB C 92 38.464 38.464 38.694 -0.230 18681 2675 1 4 . 1 1 92 92 ASN H H 92 8.392 8.392 7.842 0.550 18681 2676 1 4 . 1 1 93 93 TYR N N 93 121.123 121.123 120.160 0.963 18681 2677 1 4 . 1 1 93 93 TYR HA H 93 4.465 4.465 4.164 0.301 18681 2678 1 4 . 1 1 93 93 TYR CA C 93 59.339 59.339 61.091 -1.752 18681 2679 1 4 . 1 1 93 93 TYR CB C 93 38.593 38.593 38.024 0.569 18681 2680 1 4 . 1 1 93 93 TYR H H 93 7.742 7.742 8.036 -0.293 18681 2681 1 4 . 1 1 94 94 ALA N N 94 120.589 120.589 121.615 -1.026 18681 2682 1 4 . 1 1 94 94 ALA HA H 94 3.742 3.742 4.046 -0.304 18681 2683 1 4 . 1 1 94 94 ALA CA C 94 55.340 55.340 55.302 0.038 18681 2684 1 4 . 1 1 94 94 ALA CB C 94 17.779 17.779 18.442 -0.663 18681 2685 1 4 . 1 1 94 94 ALA H H 94 8.811 8.811 8.640 0.171 18681 2686 1 4 . 1 1 95 95 LEU HA H 95 4.132 4.132 4.019 0.113 18681 2687 1 4 . 1 1 95 95 LEU CB C 95 40.964 40.964 40.942 0.022 18681 2688 1 4 . 1 1 95 95 LEU H H 95 8.345 8.345 7.874 0.471 18681 2689 1 4 . 1 1 96 96 LYS N N 96 119.704 119.704 119.773 -0.069 18681 2690 1 4 . 1 1 96 96 LYS HA H 96 3.971 3.971 3.952 0.019 18681 2691 1 4 . 1 1 96 96 LYS CA C 96 59.877 59.877 59.856 0.021 18681 2692 1 4 . 1 1 96 96 LYS CB C 96 32.096 32.096 32.232 -0.136 18681 2693 1 4 . 1 1 96 96 LYS H H 96 8.057 8.057 7.896 0.161 18681 2694 1 4 . 1 1 97 97 MET N N 97 119.269 119.269 118.465 0.804 18681 2695 1 4 . 1 1 97 97 MET HA H 97 4.146 4.146 4.240 -0.094 18681 2696 1 4 . 1 1 97 97 MET CA C 97 59.020 59.020 58.072 0.948 18681 2697 1 4 . 1 1 97 97 MET CB C 97 32.949 32.949 32.301 0.648 18681 2698 1 4 . 1 1 97 97 MET H H 97 7.791 7.791 7.928 -0.137 18681 2699 1 4 . 1 1 98 98 PHE N N 98 120.493 120.493 120.690 -0.197 18681 2700 1 4 . 1 1 98 98 PHE HA H 98 3.686 3.686 4.104 -0.418 18681 2701 1 4 . 1 1 98 98 PHE CA C 98 62.257 62.257 62.505 -0.248 18681 2702 1 4 . 1 1 98 98 PHE CB C 98 39.929 39.929 39.255 0.674 18681 2703 1 4 . 1 1 98 98 PHE H H 98 8.584 8.584 8.375 0.209 18681 2704 1 4 . 1 1 99 99 LEU N N 99 118.196 118.196 118.920 -0.724 18681 2705 1 4 . 1 1 99 99 LEU HA H 99 3.923 3.923 3.956 -0.033 18681 2706 1 4 . 1 1 99 99 LEU CA C 99 57.670 57.670 58.133 -0.463 18681 2707 1 4 . 1 1 99 99 LEU CB C 99 41.371 41.371 41.650 -0.279 18681 2708 1 4 . 1 1 99 99 LEU H H 99 9.148 9.148 8.568 0.580 18681 2709 1 4 . 1 1 100 100 TYR N N 100 119.695 119.695 120.724 -1.029 18681 2710 1 4 . 1 1 100 100 TYR HA H 100 4.179 4.179 3.945 0.234 18681 2711 1 4 . 1 1 100 100 TYR CA C 100 60.511 60.511 61.933 -1.422 18681 2712 1 4 . 1 1 100 100 TYR CB C 100 37.397 37.397 38.255 -0.858 18681 2713 1 4 . 1 1 100 100 TYR H H 100 7.699 7.699 8.339 -0.640 18681 2714 1 4 . 1 1 101 101 ALA N N 101 123.078 123.078 120.241 2.837 18681 2715 1 4 . 1 1 101 101 ALA HA H 101 2.916 2.916 3.686 -0.769 18681 2716 1 4 . 1 1 101 101 ALA CA C 101 55.042 55.042 55.049 -0.007 18681 2717 1 4 . 1 1 101 101 ALA CB C 101 16.049 16.049 17.433 -1.385 18681 2718 1 4 . 1 1 101 101 ALA H H 101 7.385 7.385 8.079 -0.694 18681 2719 1 4 . 1 1 102 102 ASP N N 102 117.073 117.073 118.855 -1.782 18681 2720 1 4 . 1 1 102 102 ASP HA H 102 4.287 4.287 4.337 -0.050 18681 2721 1 4 . 1 1 102 102 ASP CA C 102 57.049 57.049 56.873 0.176 18681 2722 1 4 . 1 1 102 102 ASP CB C 102 42.898 42.898 40.568 2.330 18681 2723 1 4 . 1 1 102 102 ASP H H 102 8.539 8.539 7.736 0.803 18681 2724 1 4 . 1 1 103 103 ASN N N 103 116.630 116.630 118.264 -1.634 18681 2725 1 4 . 1 1 103 103 ASN HA H 103 4.264 4.264 4.362 -0.098 18681 2726 1 4 . 1 1 103 103 ASN CA C 103 56.386 56.386 56.134 0.252 18681 2727 1 4 . 1 1 103 103 ASN CB C 103 38.332 38.332 38.145 0.187 18681 2728 1 4 . 1 1 103 103 ASN H H 103 7.970 7.970 8.526 -0.556 18681 2729 1 4 . 1 1 104 104 GLU N N 104 118.811 118.811 119.450 -0.639 18681 2730 1 4 . 1 1 104 104 GLU HA H 104 3.619 3.619 3.825 -0.206 18681 2731 1 4 . 1 1 104 104 GLU CA C 104 58.982 58.982 59.228 -0.246 18681 2732 1 4 . 1 1 104 104 GLU H H 104 7.474 7.474 7.600 -0.126 18681 2733 1 4 . 1 1 105 105 ASP N N 105 120.013 120.013 119.634 0.379 18681 2734 1 4 . 1 1 105 105 ASP HA H 105 3.818 3.818 4.104 -0.286 18681 2735 1 4 . 1 1 105 105 ASP CA C 105 57.508 57.508 56.860 0.648 18681 2736 1 4 . 1 1 105 105 ASP CB C 105 43.738 43.738 40.420 3.318 18681 2737 1 4 . 1 1 105 105 ASP H H 105 8.212 8.212 7.688 0.524 18681 2738 1 4 . 1 1 106 106 ARG N N 106 116.747 116.747 119.869 -3.122 18681 2739 1 4 . 1 1 106 106 ARG HA H 106 3.804 3.804 4.037 -0.233 18681 2740 1 4 . 1 1 106 106 ARG CA C 106 59.150 59.150 58.551 0.599 18681 2741 1 4 . 1 1 106 106 ARG CB C 106 30.083 30.083 30.337 -0.254 18681 2742 1 4 . 1 1 106 106 ARG H H 106 8.532 8.532 7.774 0.758 18681 2743 1 4 . 1 1 107 107 ALA N N 107 119.388 119.388 118.455 0.933 18681 2744 1 4 . 1 1 107 107 ALA HA H 107 4.232 4.232 4.147 0.085 18681 2745 1 4 . 1 1 107 107 ALA CA C 107 51.407 51.407 52.788 -1.381 18681 2746 1 4 . 1 1 107 107 ALA CB C 107 18.572 18.572 19.102 -0.529 18681 2747 1 4 . 1 1 107 107 ALA H H 107 7.302 7.302 7.678 -0.376 18681 2748 1 4 . 1 1 108 108 GLY N N 108 108.840 108.840 105.781 3.059 18681 2749 1 4 . 1 1 108 108 GLY CA C 108 45.735 45.735 44.634 1.101 18681 2750 1 4 . 1 1 108 108 GLY H H 108 7.905 7.905 7.477 0.428 18681 2751 1 4 . 1 1 109 109 ARG N N 109 121.140 121.140 119.631 1.509 18681 2752 1 4 . 1 1 109 109 ARG HA H 109 4.126 4.126 4.385 -0.259 18681 2753 1 4 . 1 1 109 109 ARG CA C 109 55.361 55.361 54.344 1.017 18681 2754 1 4 . 1 1 109 109 ARG H H 109 7.642 7.642 7.548 0.094 18681 2755 1 4 . 1 1 110 110 PHE N N 110 119.534 119.534 121.091 -1.557 18681 2756 1 4 . 1 1 110 110 PHE HA H 110 4.950 4.950 4.581 0.369 18681 2757 1 4 . 1 1 110 110 PHE CA C 110 55.415 55.415 56.892 -1.476 18681 2758 1 4 . 1 1 110 110 PHE H H 110 7.644 7.644 8.485 -0.841 18681 2759 1 4 . 1 1 111 111 HIS N N 111 116.408 116.408 120.693 -4.285 18681 2760 1 4 . 1 1 111 111 HIS HA H 111 4.757 4.757 4.873 -0.116 18681 2761 1 4 . 1 1 111 111 HIS CB C 111 32.022 32.022 31.263 0.759 18681 2762 1 4 . 1 1 111 111 HIS H H 111 6.789 6.789 7.274 -0.485 18681 2763 1 4 . 1 1 112 112 LYS N N 112 119.836 119.836 119.261 0.575 18681 2764 1 4 . 1 1 112 112 LYS HA H 112 4.059 4.059 3.976 0.083 18681 2765 1 4 . 1 1 112 112 LYS H H 112 8.267 8.267 8.774 -0.507 18681 2766 1 4 . 1 1 113 113 ASN N N 113 118.047 118.047 117.675 0.372 18681 2767 1 4 . 1 1 113 113 ASN HA H 113 4.737 4.737 4.524 0.213 18681 2768 1 4 . 1 1 113 113 ASN CB C 113 38.295 38.295 38.065 0.230 18681 2769 1 4 . 1 1 113 113 ASN H H 113 8.831 8.831 8.585 0.246 18681 2770 1 4 . 1 1 114 114 MET N N 114 119.081 119.081 119.761 -0.680 18681 2771 1 4 . 1 1 114 114 MET HA H 114 4.379 4.379 4.185 0.194 18681 2772 1 4 . 1 1 114 114 MET CA C 114 58.194 58.194 59.722 -1.528 18681 2773 1 4 . 1 1 114 114 MET H H 114 8.520 8.520 8.417 0.103 18681 2774 1 4 . 1 1 115 115 ILE N N 115 125.193 125.193 119.252 5.941 18681 2775 1 4 . 1 1 115 115 ILE HA H 115 3.651 3.651 3.846 -0.195 18681 2776 1 4 . 1 1 115 115 ILE CA C 115 66.869 66.869 64.259 2.610 18681 2777 1 4 . 1 1 115 115 ILE CB C 115 39.162 39.162 36.686 2.476 18681 2778 1 4 . 1 1 115 115 ILE H H 115 7.737 7.737 7.715 0.022 18681 2779 1 4 . 1 1 116 116 LYS N N 116 118.190 118.190 120.709 -2.519 18681 2780 1 4 . 1 1 116 116 LYS HA H 116 4.150 4.150 4.011 0.139 18681 2781 1 4 . 1 1 116 116 LYS CA C 116 59.379 59.379 60.037 -0.658 18681 2782 1 4 . 1 1 116 116 LYS CB C 116 32.097 32.097 32.306 -0.209 18681 2783 1 4 . 1 1 116 116 LYS H H 116 8.393 8.393 8.095 0.297 18681 2784 1 4 . 1 1 117 117 SER N N 117 117.471 117.471 115.545 1.926 18681 2785 1 4 . 1 1 117 117 SER HA H 117 4.096 4.096 4.231 -0.135 18681 2786 1 4 . 1 1 117 117 SER CA C 117 63.167 63.167 62.115 1.052 18681 2787 1 4 . 1 1 117 117 SER CB C 117 63.135 63.135 62.960 0.175 18681 2788 1 4 . 1 1 117 117 SER H H 117 8.138 8.138 8.359 -0.221 18681 2789 1 4 . 1 1 118 118 PHE N N 118 121.885 121.885 120.881 1.004 18681 2790 1 4 . 1 1 118 118 PHE HA H 118 4.408 4.408 4.178 0.230 18681 2791 1 4 . 1 1 118 118 PHE CA C 118 61.176 61.176 62.066 -0.890 18681 2792 1 4 . 1 1 118 118 PHE CB C 118 38.889 38.889 38.833 0.056 18681 2793 1 4 . 1 1 118 118 PHE H H 118 8.168 8.168 7.896 0.272 18681 2794 1 4 . 1 1 119 119 TYR N N 119 118.356 118.356 120.162 -1.806 18681 2795 1 4 . 1 1 119 119 TYR HA H 119 3.935 3.935 4.117 -0.182 18681 2796 1 4 . 1 1 119 119 TYR CA C 119 62.261 62.261 62.589 -0.328 18681 2797 1 4 . 1 1 119 119 TYR CB C 119 38.498 38.498 38.737 -0.239 18681 2798 1 4 . 1 1 119 119 TYR H H 119 8.693 8.693 8.182 0.511 18681 2799 1 4 . 1 1 120 120 THR N N 120 117.468 117.468 116.612 0.856 18681 2800 1 4 . 1 1 120 120 THR HA H 120 3.705 3.705 3.971 -0.266 18681 2801 1 4 . 1 1 120 120 THR CA C 120 67.393 67.393 67.335 0.058 18681 2802 1 4 . 1 1 120 120 THR CB C 120 68.041 68.041 68.671 -0.630 18681 2803 1 4 . 1 1 120 120 THR H H 120 9.582 9.582 8.806 0.776 18681 2804 1 4 . 1 1 121 121 ALA N N 121 124.210 124.210 124.506 -0.296 18681 2805 1 4 . 1 1 121 121 ALA HA H 121 3.940 3.940 4.002 -0.062 18681 2806 1 4 . 1 1 121 121 ALA CA C 121 56.508 56.508 55.479 1.029 18681 2807 1 4 . 1 1 121 121 ALA CB C 121 17.325 17.325 18.134 -0.809 18681 2808 1 4 . 1 1 121 121 ALA H H 121 8.444 8.444 8.280 0.164 18681 2809 1 4 . 1 1 122 122 SER N N 122 111.334 111.334 114.400 -3.066 18681 2810 1 4 . 1 1 122 122 SER HA H 122 4.009 4.009 4.198 -0.189 18681 2811 1 4 . 1 1 122 122 SER CA C 122 62.531 62.531 61.628 0.903 18681 2812 1 4 . 1 1 122 122 SER CB C 122 63.051 63.051 63.233 -0.182 18681 2813 1 4 . 1 1 122 122 SER H H 122 7.724 7.724 7.873 -0.149 18681 2814 1 4 . 1 1 123 123 LEU N N 123 122.307 122.307 123.722 -1.415 18681 2815 1 4 . 1 1 123 123 LEU HA H 123 4.092 4.092 4.338 -0.246 18681 2816 1 4 . 1 1 123 123 LEU CA C 123 57.100 57.100 57.868 -0.768 18681 2817 1 4 . 1 1 123 123 LEU CB C 123 41.615 41.615 41.882 -0.267 18681 2818 1 4 . 1 1 123 123 LEU H H 123 7.507 7.507 8.126 -0.619 18681 2819 1 4 . 1 1 124 124 LEU N N 124 117.851 117.851 120.292 -2.441 18681 2820 1 4 . 1 1 124 124 LEU HA H 124 3.935 3.935 3.977 -0.042 18681 2821 1 4 . 1 1 124 124 LEU CA C 124 56.967 56.967 58.637 -1.670 18681 2822 1 4 . 1 1 124 124 LEU CB C 124 41.832 41.832 42.128 -0.296 18681 2823 1 4 . 1 1 124 124 LEU H H 124 8.457 8.457 8.387 0.070 18681 2824 1 4 . 1 1 125 125 ILE N N 125 118.695 118.695 119.652 -0.957 18681 2825 1 4 . 1 1 125 125 ILE HA H 125 3.718 3.718 3.473 0.245 18681 2826 1 4 . 1 1 125 125 ILE CA C 125 65.097 65.097 65.812 -0.715 18681 2827 1 4 . 1 1 125 125 ILE CB C 125 36.775 36.775 37.573 -0.798 18681 2828 1 4 . 1 1 125 125 ILE H H 125 7.766 7.766 8.140 -0.374 18681 2829 1 4 . 1 1 126 126 ASP N N 126 117.428 117.428 120.090 -2.662 18681 2830 1 4 . 1 1 126 126 ASP HA H 126 4.128 4.128 4.352 -0.224 18681 2831 1 4 . 1 1 126 126 ASP CA C 126 57.998 57.998 57.067 0.931 18681 2832 1 4 . 1 1 126 126 ASP CB C 126 39.372 39.372 40.135 -0.763 18681 2833 1 4 . 1 1 126 126 ASP H H 126 7.288 7.288 7.836 -0.548 18681 2834 1 4 . 1 1 127 127 VAL N N 127 120.003 120.003 117.788 2.215 18681 2835 1 4 . 1 1 127 127 VAL HA H 127 2.992 2.992 3.492 -0.500 18681 2836 1 4 . 1 1 127 127 VAL CA C 127 65.615 65.615 65.466 0.149 18681 2837 1 4 . 1 1 127 127 VAL CB C 127 30.498 30.498 31.375 -0.877 18681 2838 1 4 . 1 1 127 127 VAL H H 127 7.366 7.366 7.653 -0.287 18681 2839 1 4 . 1 1 128 128 ILE N N 128 117.743 117.743 115.549 2.194 18681 2840 1 4 . 1 1 128 128 ILE HA H 128 3.956 3.956 4.200 -0.244 18681 2841 1 4 . 1 1 128 128 ILE CA C 128 64.219 64.219 63.902 0.317 18681 2842 1 4 . 1 1 128 128 ILE CB C 128 37.930 37.930 37.989 -0.059 18681 2843 1 4 . 1 1 128 128 ILE H H 128 7.727 7.727 7.515 0.212 18681 2844 1 4 . 1 1 129 129 THR N N 129 114.535 114.535 114.109 0.426 18681 2845 1 4 . 1 1 129 129 THR HA H 129 4.638 4.638 4.018 0.620 18681 2846 1 4 . 1 1 129 129 THR CA C 129 64.808 64.808 65.504 -0.696 18681 2847 1 4 . 1 1 129 129 THR CB C 129 69.759 69.759 68.071 1.688 18681 2848 1 4 . 1 1 129 129 THR H H 129 7.873 7.873 7.490 0.383 18681 2849 1 4 . 1 1 130 130 VAL N N 130 118.351 118.351 118.302 0.049 18681 2850 1 4 . 1 1 130 130 VAL HA H 130 4.014 4.014 3.511 0.503 18681 2851 1 4 . 1 1 130 130 VAL CA C 130 64.220 64.220 64.757 -0.537 18681 2852 1 4 . 1 1 130 130 VAL CB C 130 31.307 31.307 30.115 1.192 18681 2853 1 4 . 1 1 130 130 VAL H H 130 8.381 8.381 7.329 1.052 18681 2854 1 4 . 1 1 131 131 PHE N N 131 117.227 117.227 120.593 -3.366 18681 2855 1 4 . 1 1 131 131 PHE HA H 131 4.567 4.567 4.362 0.205 18681 2856 1 4 . 1 1 131 131 PHE CA C 131 57.840 57.840 59.861 -2.021 18681 2857 1 4 . 1 1 131 131 PHE CB C 131 39.029 39.029 38.988 0.041 18681 2858 1 4 . 1 1 131 131 PHE H H 131 7.638 7.638 7.845 -0.207 18681 2859 1 4 . 1 1 132 132 GLY N N 132 106.811 106.811 104.610 2.201 18681 2860 1 4 . 1 1 132 132 GLY CA C 132 43.921 43.921 44.820 -0.899 18681 2861 1 4 . 1 1 132 132 GLY H H 132 7.433 7.433 7.552 -0.119 18681 2862 1 4 . 1 1 133 133 GLU N N 133 119.340 119.340 122.236 -2.896 18681 2863 1 4 . 1 1 133 133 GLU HA H 133 4.082 4.082 4.534 -0.452 18681 2864 1 4 . 1 1 133 133 GLU CA C 133 56.504 56.504 55.900 0.604 18681 2865 1 4 . 1 1 133 133 GLU CB C 133 30.184 30.184 29.871 0.313 18681 2866 1 4 . 1 1 133 133 GLU H H 133 8.278 8.278 8.331 -0.053 18681 2867 1 4 . 1 1 134 134 LEU N N 134 122.134 122.134 127.018 -4.884 18681 2868 1 4 . 1 1 134 134 LEU HA H 134 4.405 4.405 4.556 -0.151 18681 2869 1 4 . 1 1 134 134 LEU CA C 134 54.169 54.169 54.222 -0.053 18681 2870 1 4 . 1 1 134 134 LEU CB C 134 43.997 43.997 43.732 0.265 18681 2871 1 4 . 1 1 134 134 LEU H H 134 8.410 8.410 8.365 0.045 18681 2872 1 4 . 1 1 135 135 THR N N 135 112.032 112.032 117.221 -5.189 18681 2873 1 4 . 1 1 135 135 THR HA H 135 4.220 4.220 4.392 -0.172 18681 2874 1 4 . 1 1 135 135 THR CA C 135 60.449 60.449 61.357 -0.908 18681 2875 1 4 . 1 1 135 135 THR CB C 135 70.386 70.386 70.620 -0.234 18681 2876 1 4 . 1 1 135 135 THR H H 135 8.192 8.192 8.294 -0.102 18681 2877 1 4 . 1 1 136 136 ASP N N 136 121.429 121.429 124.089 -2.660 18681 2878 1 4 . 1 1 136 136 ASP HA H 136 4.191 4.191 4.396 -0.205 18681 2879 1 4 . 1 1 136 136 ASP CA C 136 57.415 57.415 57.683 -0.268 18681 2880 1 4 . 1 1 136 136 ASP CB C 136 40.518 40.518 40.849 -0.331 18681 2881 1 4 . 1 1 136 136 ASP H H 136 8.793 8.793 8.761 0.032 18681 2882 1 4 . 1 1 137 137 GLU N N 137 117.727 117.727 119.116 -1.389 18681 2883 1 4 . 1 1 137 137 GLU HA H 137 3.670 3.670 3.920 -0.250 18681 2884 1 4 . 1 1 137 137 GLU CA C 137 59.503 59.503 59.876 -0.373 18681 2885 1 4 . 1 1 137 137 GLU CB C 137 29.175 29.175 28.959 0.216 18681 2886 1 4 . 1 1 137 137 GLU H H 137 8.427 8.427 7.672 0.755 18681 2887 1 4 . 1 1 138 138 ASN N N 138 118.528 118.528 116.873 1.655 18681 2888 1 4 . 1 1 138 138 ASN HA H 138 4.488 4.488 4.409 0.079 18681 2889 1 4 . 1 1 138 138 ASN CA C 138 55.536 55.536 56.253 -0.717 18681 2890 1 4 . 1 1 138 138 ASN CB C 138 37.903 37.903 37.952 -0.049 18681 2891 1 4 . 1 1 138 138 ASN H H 138 7.504 7.504 8.372 -0.868 18681 2892 1 4 . 1 1 139 139 VAL N N 139 122.269 122.269 120.821 1.448 18681 2893 1 4 . 1 1 139 139 VAL HA H 139 3.383 3.383 3.622 -0.239 18681 2894 1 4 . 1 1 139 139 VAL CA C 139 67.168 67.168 66.796 0.372 18681 2895 1 4 . 1 1 139 139 VAL CB C 139 31.765 31.765 31.071 0.694 18681 2896 1 4 . 1 1 139 139 VAL H H 139 8.249 8.249 7.770 0.479 18681 2897 1 4 . 1 1 140 140 LYS HA H 140 3.947 3.947 3.932 0.015 18681 2898 1 4 . 1 1 140 140 LYS CA C 140 59.691 59.691 59.999 -0.308 18681 2899 1 4 . 1 1 140 140 LYS CB C 140 32.044 32.044 32.221 -0.177 18681 2900 1 4 . 1 1 140 140 LYS H H 140 7.994 7.994 8.605 -0.611 18681 2901 1 4 . 1 1 141 141 HIS N N 141 117.389 117.389 117.746 -0.357 18681 2902 1 4 . 1 1 141 141 HIS HA H 141 4.296 4.296 4.330 -0.034 18681 2903 1 4 . 1 1 141 141 HIS CA C 141 57.657 57.657 59.500 -1.843 18681 2904 1 4 . 1 1 141 141 HIS CB C 141 28.500 28.500 29.892 -1.392 18681 2905 1 4 . 1 1 141 141 HIS H H 141 8.491 8.491 8.276 0.215 18681 2906 1 4 . 1 1 142 142 ARG HA H 142 3.728 3.728 3.953 -0.225 18681 2907 1 4 . 1 1 142 142 ARG CA C 142 61.356 61.356 60.204 1.152 18681 2908 1 4 . 1 1 142 142 ARG H H 142 8.529 8.529 8.537 -0.008 18681 2909 1 4 . 1 1 143 143 LYS N N 143 117.710 117.710 118.381 -0.671 18681 2910 1 4 . 1 1 143 143 LYS HA H 143 4.050 4.050 3.487 0.563 18681 2911 1 4 . 1 1 143 143 LYS CA C 143 59.368 59.368 59.128 0.240 18681 2912 1 4 . 1 1 143 143 LYS CB C 143 32.794 32.794 31.811 0.982 18681 2913 1 4 . 1 1 143 143 LYS H H 143 7.664 7.664 7.688 -0.024 18681 2914 1 4 . 1 1 144 144 TYR HA H 144 4.275 4.275 3.995 0.280 18681 2915 1 4 . 1 1 144 144 TYR CA C 144 62.445 62.445 61.457 0.988 18681 2916 1 4 . 1 1 144 144 TYR CB C 144 39.542 39.542 38.462 1.079 18681 2917 1 4 . 1 1 144 144 TYR H H 144 8.269 8.269 7.797 0.472 18681 2918 1 4 . 1 1 145 145 ALA N N 145 118.744 118.744 121.158 -2.414 18681 2919 1 4 . 1 1 145 145 ALA HA H 145 3.667 3.667 3.985 -0.318 18681 2920 1 4 . 1 1 145 145 ALA CA C 145 54.777 54.777 55.201 -0.424 18681 2921 1 4 . 1 1 145 145 ALA CB C 145 18.761 18.761 18.380 0.381 18681 2922 1 4 . 1 1 145 145 ALA H H 145 8.825 8.825 8.711 0.114 18681 2923 1 4 . 1 1 146 146 ARG N N 146 116.092 116.092 118.414 -2.322 18681 2924 1 4 . 1 1 146 146 ARG HA H 146 3.865 3.865 4.005 -0.140 18681 2925 1 4 . 1 1 146 146 ARG CA C 146 59.666 59.666 59.455 0.212 18681 2926 1 4 . 1 1 146 146 ARG CB C 146 30.400 30.400 29.675 0.725 18681 2927 1 4 . 1 1 146 146 ARG H H 146 8.024 8.024 7.766 0.258 18681 2928 1 4 . 1 1 147 147 TRP N N 147 119.666 119.666 119.386 0.280 18681 2929 1 4 . 1 1 147 147 TRP HA H 147 4.224 4.224 4.496 -0.272 18681 2930 1 4 . 1 1 147 147 TRP CA C 147 60.996 60.996 58.081 2.915 18681 2931 1 4 . 1 1 147 147 TRP CB C 147 28.593 28.593 28.376 0.217 18681 2932 1 4 . 1 1 147 147 TRP H H 147 8.014 8.014 7.684 0.330 18681 2933 1 4 . 1 1 148 148 LYS N N 148 118.775 118.775 120.428 -1.653 18681 2934 1 4 . 1 1 148 148 LYS HA H 148 3.212 3.212 3.710 -0.498 18681 2935 1 4 . 1 1 148 148 LYS CA C 148 58.399 58.399 59.148 -0.750 18681 2936 1 4 . 1 1 148 148 LYS CB C 148 30.846 30.846 31.436 -0.590 18681 2937 1 4 . 1 1 148 148 LYS H H 148 8.619 8.619 8.201 0.418 18681 2938 1 4 . 1 1 149 149 ALA HA H 149 3.889 3.889 3.955 -0.066 18681 2939 1 4 . 1 1 149 149 ALA CA C 149 55.906 55.906 55.220 0.686 18681 2940 1 4 . 1 1 149 149 ALA CB C 149 18.443 18.443 18.124 0.319 18681 2941 1 4 . 1 1 149 149 ALA H H 149 7.813 7.813 7.851 -0.038 18681 2942 1 4 . 1 1 150 150 THR N N 150 112.174 112.174 117.496 -5.322 18681 2943 1 4 . 1 1 150 150 THR HA H 150 3.721 3.721 4.137 -0.416 18681 2944 1 4 . 1 1 150 150 THR CA C 150 66.282 66.282 67.221 -0.938 18681 2945 1 4 . 1 1 150 150 THR CB C 150 68.853 68.853 68.975 -0.122 18681 2946 1 4 . 1 1 150 150 THR H H 150 7.232 7.232 7.912 -0.680 18681 2947 1 4 . 1 1 151 151 TYR N N 151 123.353 123.353 123.541 -0.188 18681 2948 1 4 . 1 1 151 151 TYR HA H 151 4.005 4.005 4.139 -0.134 18681 2949 1 4 . 1 1 151 151 TYR CA C 151 60.334 60.334 62.030 -1.696 18681 2950 1 4 . 1 1 151 151 TYR CB C 151 38.246 38.246 38.058 0.188 18681 2951 1 4 . 1 1 151 151 TYR H H 151 8.513 8.513 8.732 -0.219 18681 2952 1 4 . 1 1 152 152 ILE N N 152 119.933 119.933 118.400 1.533 18681 2953 1 4 . 1 1 152 152 ILE HA H 152 2.789 2.789 3.259 -0.470 18681 2954 1 4 . 1 1 152 152 ILE CA C 152 65.885 65.885 65.441 0.445 18681 2955 1 4 . 1 1 152 152 ILE CB C 152 38.194 38.194 37.737 0.457 18681 2956 1 4 . 1 1 152 152 ILE H H 152 8.860 8.860 7.763 1.097 18681 2957 1 4 . 1 1 153 153 HIS N N 153 117.221 117.221 119.605 -2.384 18681 2958 1 4 . 1 1 153 153 HIS HA H 153 3.957 3.957 4.031 -0.074 18681 2959 1 4 . 1 1 153 153 HIS CA C 153 60.290 60.290 59.980 0.310 18681 2960 1 4 . 1 1 153 153 HIS CB C 153 30.363 30.363 29.957 0.406 18681 2961 1 4 . 1 1 153 153 HIS H H 153 7.757 7.757 8.512 -0.755 18681 2962 1 4 . 1 1 154 154 ASN N N 154 117.429 117.429 117.720 -0.291 18681 2963 1 4 . 1 1 154 154 ASN HA H 154 4.124 4.124 4.163 -0.039 18681 2964 1 4 . 1 1 154 154 ASN CA C 154 55.977 55.977 55.708 0.270 18681 2965 1 4 . 1 1 154 154 ASN CB C 154 37.579 37.579 38.488 -0.909 18681 2966 1 4 . 1 1 154 154 ASN H H 154 8.355 8.355 8.436 -0.081 18681 2967 1 4 . 1 1 155 155 CYS N N 155 118.306 118.306 119.606 -1.300 18681 2968 1 4 . 1 1 155 155 CYS HA H 155 3.881 3.881 3.845 0.036 18681 2969 1 4 . 1 1 155 155 CYS CA C 155 64.039 64.039 63.098 0.941 18681 2970 1 4 . 1 1 155 155 CYS CB C 155 26.124 26.124 27.237 -1.113 18681 2971 1 4 . 1 1 155 155 CYS H H 155 8.020 8.020 7.860 0.160 18681 2972 1 4 . 1 1 156 156 LEU N N 156 118.448 118.448 120.845 -2.397 18681 2973 1 4 . 1 1 156 156 LEU HA H 156 3.944 3.944 3.948 -0.004 18681 2974 1 4 . 1 1 156 156 LEU CA C 156 57.844 57.844 57.511 0.333 18681 2975 1 4 . 1 1 156 156 LEU CB C 156 40.196 40.196 41.554 -1.358 18681 2976 1 4 . 1 1 156 156 LEU H H 156 8.139 8.139 8.331 -0.192 18681 2977 1 4 . 1 1 157 157 LYS N N 157 120.180 120.180 119.840 0.340 18681 2978 1 4 . 1 1 157 157 LYS HA H 157 3.896 3.896 4.002 -0.106 18681 2979 1 4 . 1 1 157 157 LYS CA C 157 58.474 58.474 58.934 -0.460 18681 2980 1 4 . 1 1 157 157 LYS CB C 157 31.852 31.852 32.227 -0.375 18681 2981 1 4 . 1 1 157 157 LYS H H 157 7.912 7.912 7.915 -0.003 18681 2982 1 4 . 1 1 158 158 ASN N N 158 115.220 115.220 113.931 1.289 18681 2983 1 4 . 1 1 158 158 ASN HA H 158 4.730 4.730 4.756 -0.026 18681 2984 1 4 . 1 1 158 158 ASN CB C 158 39.411 39.411 38.604 0.807 18681 2985 1 4 . 1 1 158 158 ASN H H 158 7.422 7.422 7.549 -0.127 18681 2986 1 4 . 1 1 159 159 GLY N N 159 108.815 108.815 109.190 -0.375 18681 2987 1 4 . 1 1 159 159 GLY CA C 159 46.296 46.296 46.001 0.295 18681 2988 1 4 . 1 1 159 159 GLY H H 159 7.752 7.752 7.777 -0.025 18681 2989 1 4 . 1 1 160 160 GLU N N 160 119.601 119.601 119.645 -0.044 18681 2990 1 4 . 1 1 160 160 GLU HA H 160 4.421 4.421 4.619 -0.198 18681 2991 1 4 . 1 1 160 160 GLU CA C 160 54.102 54.102 54.409 -0.307 18681 2992 1 4 . 1 1 160 160 GLU CB C 160 31.969 31.969 32.223 -0.254 18681 2993 1 4 . 1 1 160 160 GLU H H 160 8.174 8.174 8.131 0.043 18681 2994 1 4 . 1 1 161 161 THR N N 161 120.600 120.600 118.051 2.549 18681 2995 1 4 . 1 1 161 161 THR HA H 161 4.341 4.341 4.463 -0.122 18681 2996 1 4 . 1 1 161 161 THR CB C 161 69.624 69.624 68.487 1.137 18681 2997 1 4 . 1 1 161 161 THR H H 161 8.714 8.714 8.266 0.448 18681 2998 1 4 . 1 1 162 162 PRO HA H 162 4.277 4.277 4.533 -0.256 18681 2999 1 4 . 1 1 162 162 PRO CA C 162 61.790 61.790 62.262 -0.472 18681 3000 1 4 . 1 1 162 162 PRO CB C 162 31.178 31.178 32.325 -1.147 18681 3001 1 5 . 1 1 2 2 ALA N N 2 125.894 125.894 124.283 1.611 18681 3002 1 5 . 1 1 2 2 ALA HA H 2 4.192 4.192 4.339 -0.147 18681 3003 1 5 . 1 1 2 2 ALA CA C 2 52.096 52.096 52.504 -0.408 18681 3004 1 5 . 1 1 2 2 ALA CB C 2 19.072 19.072 19.190 -0.118 18681 3005 1 5 . 1 1 2 2 ALA H H 2 8.413 8.413 8.235 0.178 18681 3006 1 5 . 1 1 3 3 ALA N N 3 123.543 123.543 126.605 -3.062 18681 3007 1 5 . 1 1 3 3 ALA HA H 3 4.226 4.226 4.662 -0.436 18681 3008 1 5 . 1 1 3 3 ALA CA C 3 51.943 51.943 51.296 0.647 18681 3009 1 5 . 1 1 3 3 ALA CB C 3 18.992 18.992 20.584 -1.592 18681 3010 1 5 . 1 1 3 3 ALA H H 3 8.233 8.233 8.070 0.163 18681 3011 1 5 . 1 1 4 4 LEU N N 4 121.641 121.641 120.223 1.418 18681 3012 1 5 . 1 1 4 4 LEU HA H 4 4.284 4.284 4.553 -0.269 18681 3013 1 5 . 1 1 4 4 LEU CA C 4 53.885 53.885 54.062 -0.177 18681 3014 1 5 . 1 1 4 4 LEU CB C 4 42.307 42.307 42.942 -0.635 18681 3015 1 5 . 1 1 4 4 LEU H H 4 8.114 8.114 8.537 -0.423 18681 3016 1 5 . 1 1 5 5 ALA N N 5 128.329 128.329 125.648 2.681 18681 3017 1 5 . 1 1 5 5 ALA HA H 5 4.453 4.453 4.539 -0.086 18681 3018 1 5 . 1 1 5 5 ALA CA C 5 50.164 50.164 50.068 0.096 18681 3019 1 5 . 1 1 5 5 ALA CB C 5 17.687 17.687 18.403 -0.716 18681 3020 1 5 . 1 1 5 5 ALA H H 5 8.623 8.623 8.081 0.542 18681 3021 1 5 . 1 1 6 6 PRO HA H 6 4.274 4.274 4.425 -0.151 18681 3022 1 5 . 1 1 6 6 PRO CA C 6 62.403 62.403 62.448 -0.045 18681 3023 1 5 . 1 1 6 6 PRO CB C 6 32.105 32.105 32.204 -0.099 18681 3024 1 5 . 1 1 7 7 LEU N N 7 122.228 122.228 122.852 -0.624 18681 3025 1 5 . 1 1 7 7 LEU HA H 7 4.324 4.324 4.475 -0.151 18681 3026 1 5 . 1 1 7 7 LEU CA C 7 52.914 52.914 51.762 1.152 18681 3027 1 5 . 1 1 7 7 LEU CB C 7 40.952 40.952 40.508 0.444 18681 3028 1 5 . 1 1 7 7 LEU H H 7 8.264 8.264 8.181 0.083 18681 3029 1 5 . 1 1 8 8 PRO HA H 8 4.745 4.745 4.555 0.190 18681 3030 1 5 . 1 1 9 9 PRO HA H 9 4.200 4.200 4.338 -0.138 18681 3031 1 5 . 1 1 9 9 PRO CA C 9 62.648 62.648 63.396 -0.748 18681 3032 1 5 . 1 1 9 9 PRO CB C 9 31.646 31.646 32.306 -0.659 18681 3033 1 5 . 1 1 10 10 LEU N N 10 125.824 125.824 124.359 1.465 18681 3034 1 5 . 1 1 10 10 LEU HA H 10 3.742 3.742 4.593 -0.851 18681 3035 1 5 . 1 1 10 10 LEU CA C 10 53.064 53.064 52.909 0.155 18681 3036 1 5 . 1 1 10 10 LEU CB C 10 42.980 42.980 42.767 0.213 18681 3037 1 5 . 1 1 10 10 LEU H H 10 8.172 8.172 8.310 -0.138 18681 3038 1 5 . 1 1 11 11 PRO HA H 11 4.175 4.175 4.544 -0.369 18681 3039 1 5 . 1 1 11 11 PRO CA C 11 62.124 62.124 62.089 0.035 18681 3040 1 5 . 1 1 11 11 PRO CB C 11 32.442 32.442 32.716 -0.274 18681 3041 1 5 . 1 1 12 12 ALA N N 12 128.292 128.292 123.933 4.359 18681 3042 1 5 . 1 1 12 12 ALA HA H 12 3.920 3.920 3.988 -0.068 18681 3043 1 5 . 1 1 12 12 ALA CA C 12 55.057 55.057 54.454 0.603 18681 3044 1 5 . 1 1 12 12 ALA CB C 12 17.918 17.918 18.965 -1.047 18681 3045 1 5 . 1 1 12 12 ALA H H 12 8.851 8.851 8.449 0.402 18681 3046 1 5 . 1 1 13 13 GLN N N 13 115.075 115.075 116.873 -1.798 18681 3047 1 5 . 1 1 13 13 GLN HA H 13 4.024 4.024 3.841 0.183 18681 3048 1 5 . 1 1 13 13 GLN CA C 13 58.436 58.436 57.821 0.615 18681 3049 1 5 . 1 1 13 13 GLN CB C 13 28.058 28.058 28.120 -0.062 18681 3050 1 5 . 1 1 13 13 GLN H H 13 9.448 9.448 8.331 1.117 18681 3051 1 5 . 1 1 14 14 PHE N N 14 116.832 116.832 116.262 0.570 18681 3052 1 5 . 1 1 14 14 PHE HA H 14 4.865 4.865 4.649 0.216 18681 3053 1 5 . 1 1 14 14 PHE CA C 14 52.224 52.224 55.800 -3.576 18681 3054 1 5 . 1 1 14 14 PHE CB C 14 36.841 36.841 37.406 -0.565 18681 3055 1 5 . 1 1 14 14 PHE H H 14 7.970 7.970 7.311 0.659 18681 3056 1 5 . 1 1 15 15 LYS N N 15 120.886 120.886 119.857 1.029 18681 3057 1 5 . 1 1 15 15 LYS HA H 15 3.852 3.852 4.077 -0.225 18681 3058 1 5 . 1 1 15 15 LYS CA C 15 60.248 60.248 58.928 1.320 18681 3059 1 5 . 1 1 15 15 LYS CB C 15 32.137 32.137 32.309 -0.172 18681 3060 1 5 . 1 1 15 15 LYS H H 15 7.358 7.358 7.564 -0.206 18681 3061 1 5 . 1 1 16 16 SER N N 16 111.755 111.755 116.347 -4.592 18681 3062 1 5 . 1 1 16 16 SER HA H 16 4.321 4.321 4.341 -0.020 18681 3063 1 5 . 1 1 16 16 SER CA C 16 61.099 61.099 61.703 -0.604 18681 3064 1 5 . 1 1 16 16 SER CB C 16 62.700 62.700 63.351 -0.651 18681 3065 1 5 . 1 1 16 16 SER H H 16 8.733 8.733 8.565 0.168 18681 3066 1 5 . 1 1 17 17 ILE N N 17 113.676 113.676 114.156 -0.480 18681 3067 1 5 . 1 1 17 17 ILE HA H 17 6.002 6.002 4.901 1.101 18681 3068 1 5 . 1 1 17 17 ILE CA C 17 60.675 60.675 60.499 0.176 18681 3069 1 5 . 1 1 17 17 ILE CB C 17 37.907 37.907 36.783 1.124 18681 3070 1 5 . 1 1 17 17 ILE H H 17 7.692 7.692 8.023 -0.331 18681 3071 1 5 . 1 1 18 18 GLN N N 18 122.213 122.213 122.443 -0.230 18681 3072 1 5 . 1 1 18 18 GLN HA H 18 3.875 3.875 3.872 0.003 18681 3073 1 5 . 1 1 18 18 GLN CA C 18 59.886 59.886 59.652 0.234 18681 3074 1 5 . 1 1 18 18 GLN CB C 18 29.027 29.027 28.576 0.451 18681 3075 1 5 . 1 1 18 18 GLN H H 18 7.810 7.810 7.475 0.335 18681 3076 1 5 . 1 1 19 19 HIS N N 19 118.333 118.333 116.788 1.545 18681 3077 1 5 . 1 1 19 19 HIS HA H 19 4.547 4.547 4.369 0.178 18681 3078 1 5 . 1 1 19 19 HIS CA C 19 58.358 58.358 58.977 -0.619 18681 3079 1 5 . 1 1 19 19 HIS CB C 19 30.164 30.164 29.469 0.695 18681 3080 1 5 . 1 1 19 19 HIS H H 19 9.436 9.436 7.870 1.566 18681 3081 1 5 . 1 1 20 20 HIS N N 20 124.401 124.401 119.590 4.811 18681 3082 1 5 . 1 1 20 20 HIS HA H 20 3.958 3.958 4.242 -0.284 18681 3083 1 5 . 1 1 20 20 HIS CA C 20 62.329 62.329 60.556 1.773 18681 3084 1 5 . 1 1 20 20 HIS CB C 20 30.170 30.170 29.807 0.363 18681 3085 1 5 . 1 1 20 20 HIS H H 20 8.456 8.456 8.139 0.317 18681 3086 1 5 . 1 1 21 21 LEU N N 21 118.826 118.826 117.600 1.226 18681 3087 1 5 . 1 1 21 21 LEU HA H 21 4.096 4.096 4.177 -0.081 18681 3088 1 5 . 1 1 21 21 LEU CA C 21 57.730 57.730 58.681 -0.951 18681 3089 1 5 . 1 1 21 21 LEU CB C 21 41.415 41.415 41.144 0.272 18681 3090 1 5 . 1 1 21 21 LEU H H 21 8.028 8.028 8.207 -0.179 18681 3091 1 5 . 1 1 22 22 ARG N N 22 121.674 121.674 119.840 1.834 18681 3092 1 5 . 1 1 22 22 ARG HA H 22 4.227 4.227 4.044 0.183 18681 3093 1 5 . 1 1 22 22 ARG CA C 22 59.535 59.535 59.506 0.029 18681 3094 1 5 . 1 1 22 22 ARG CB C 22 29.809 29.809 29.809 0.000 18681 3095 1 5 . 1 1 22 22 ARG H H 22 8.103 8.103 8.193 -0.090 18681 3096 1 5 . 1 1 23 23 THR N N 23 116.419 116.419 116.707 -0.288 18681 3097 1 5 . 1 1 23 23 THR HA H 23 4.113 4.113 4.268 -0.155 18681 3098 1 5 . 1 1 23 23 THR CA C 23 67.072 67.072 66.556 0.516 18681 3099 1 5 . 1 1 23 23 THR CB C 23 68.245 68.245 68.730 -0.485 18681 3100 1 5 . 1 1 23 23 THR H H 23 8.208 8.208 8.216 -0.008 18681 3101 1 5 . 1 1 24 24 ALA N N 24 125.741 125.741 124.634 1.107 18681 3102 1 5 . 1 1 24 24 ALA HA H 24 3.928 3.928 3.977 -0.049 18681 3103 1 5 . 1 1 24 24 ALA CA C 24 56.675 56.675 55.381 1.294 18681 3104 1 5 . 1 1 24 24 ALA CB C 24 19.011 19.011 18.186 0.825 18681 3105 1 5 . 1 1 24 24 ALA H H 24 8.149 8.149 7.830 0.319 18681 3106 1 5 . 1 1 25 25 GLN N N 25 115.916 115.916 117.569 -1.653 18681 3107 1 5 . 1 1 25 25 GLN HA H 25 4.375 4.375 3.974 0.401 18681 3108 1 5 . 1 1 25 25 GLN CA C 25 58.060 58.060 58.910 -0.850 18681 3109 1 5 . 1 1 25 25 GLN CB C 25 28.423 28.423 28.309 0.114 18681 3110 1 5 . 1 1 25 25 GLN H H 25 7.785 7.785 8.315 -0.530 18681 3111 1 5 . 1 1 26 26 GLU N N 26 117.821 117.821 119.792 -1.971 18681 3112 1 5 . 1 1 26 26 GLU HA H 26 4.089 4.089 4.118 -0.029 18681 3113 1 5 . 1 1 26 26 GLU CA C 26 58.165 58.165 58.901 -0.736 18681 3114 1 5 . 1 1 26 26 GLU CB C 26 29.323 29.323 29.790 -0.467 18681 3115 1 5 . 1 1 26 26 GLU H H 26 8.457 8.457 7.771 0.686 18681 3116 1 5 . 1 1 27 27 HIS N N 27 115.762 115.762 118.492 -2.730 18681 3117 1 5 . 1 1 27 27 HIS HA H 27 4.380 4.380 4.405 -0.025 18681 3118 1 5 . 1 1 27 27 HIS CA C 27 59.076 59.076 59.654 -0.578 18681 3119 1 5 . 1 1 27 27 HIS CB C 27 29.049 29.049 29.187 -0.138 18681 3120 1 5 . 1 1 27 27 HIS H H 27 7.962 7.962 8.838 -0.876 18681 3121 1 5 . 1 1 28 28 ASP N N 28 123.640 123.640 120.202 3.438 18681 3122 1 5 . 1 1 28 28 ASP HA H 28 4.332 4.332 4.502 -0.170 18681 3123 1 5 . 1 1 28 28 ASP CA C 28 58.935 58.935 56.819 2.115 18681 3124 1 5 . 1 1 28 28 ASP CB C 28 40.355 40.355 41.020 -0.665 18681 3125 1 5 . 1 1 28 28 ASP H H 28 7.593 7.593 8.365 -0.772 18681 3126 1 5 . 1 1 29 29 LYS N N 29 113.398 113.398 117.417 -4.019 18681 3127 1 5 . 1 1 29 29 LYS HA H 29 4.395 4.395 4.184 0.211 18681 3128 1 5 . 1 1 29 29 LYS CA C 29 56.654 56.654 58.478 -1.824 18681 3129 1 5 . 1 1 29 29 LYS CB C 29 32.708 32.708 32.894 -0.186 18681 3130 1 5 . 1 1 29 29 LYS H H 29 8.013 8.013 7.612 0.401 18681 3131 1 5 . 1 1 30 30 ARG N N 30 117.542 117.542 117.968 -0.426 18681 3132 1 5 . 1 1 30 30 ARG HA H 30 4.244 4.244 4.262 -0.018 18681 3133 1 5 . 1 1 30 30 ARG CA C 30 57.994 57.994 57.922 0.072 18681 3134 1 5 . 1 1 30 30 ARG CB C 30 32.658 32.658 31.340 1.318 18681 3135 1 5 . 1 1 30 30 ARG H H 30 7.873 7.873 7.600 0.273 18681 3136 1 5 . 1 1 31 31 ASP N N 31 112.265 112.265 117.411 -5.146 18681 3137 1 5 . 1 1 31 31 ASP HA H 31 4.866 4.866 5.166 -0.300 18681 3138 1 5 . 1 1 31 31 ASP CA C 31 52.200 52.200 51.897 0.303 18681 3139 1 5 . 1 1 31 31 ASP CB C 31 40.932 40.932 42.850 -1.918 18681 3140 1 5 . 1 1 31 31 ASP H H 31 8.808 8.808 8.337 0.471 18681 3141 1 5 . 1 1 32 32 PRO HA H 32 4.411 4.411 4.489 -0.078 18681 3142 1 5 . 1 1 32 32 PRO CA C 32 63.963 63.963 64.954 -0.991 18681 3143 1 5 . 1 1 32 32 PRO CB C 32 32.908 32.908 32.323 0.585 18681 3144 1 5 . 1 1 33 33 VAL N N 33 117.414 117.414 119.737 -2.323 18681 3145 1 5 . 1 1 33 33 VAL HA H 33 3.480 3.480 3.806 -0.326 18681 3146 1 5 . 1 1 33 33 VAL CA C 33 66.518 66.518 66.247 0.271 18681 3147 1 5 . 1 1 33 33 VAL CB C 33 31.120 31.120 30.983 0.137 18681 3148 1 5 . 1 1 33 33 VAL H H 33 7.656 7.656 8.228 -0.572 18681 3149 1 5 . 1 1 34 34 VAL N N 34 120.456 120.456 119.969 0.487 18681 3150 1 5 . 1 1 34 34 VAL HA H 34 3.561 3.561 3.935 -0.374 18681 3151 1 5 . 1 1 34 34 VAL CA C 34 66.828 66.828 66.809 0.019 18681 3152 1 5 . 1 1 34 34 VAL CB C 34 32.442 32.442 30.872 1.570 18681 3153 1 5 . 1 1 34 34 VAL H H 34 7.234 7.234 8.220 -0.986 18681 3154 1 5 . 1 1 35 35 ALA N N 35 121.869 121.869 123.460 -1.591 18681 3155 1 5 . 1 1 35 35 ALA HA H 35 3.909 3.909 3.993 -0.084 18681 3156 1 5 . 1 1 35 35 ALA CA C 35 56.024 56.024 55.547 0.477 18681 3157 1 5 . 1 1 35 35 ALA CB C 35 19.264 19.264 18.282 0.982 18681 3158 1 5 . 1 1 35 35 ALA H H 35 8.096 8.096 7.813 0.283 18681 3159 1 5 . 1 1 36 36 TYR N N 36 117.995 117.995 119.936 -1.941 18681 3160 1 5 . 1 1 36 36 TYR HA H 36 3.826 3.826 3.957 -0.131 18681 3161 1 5 . 1 1 36 36 TYR CA C 36 62.044 62.044 62.470 -0.426 18681 3162 1 5 . 1 1 36 36 TYR CB C 36 38.136 38.136 38.295 -0.159 18681 3163 1 5 . 1 1 36 36 TYR H H 36 8.271 8.271 8.043 0.228 18681 3164 1 5 . 1 1 37 37 TYR N N 37 116.773 116.773 117.234 -0.461 18681 3165 1 5 . 1 1 37 37 TYR HA H 37 4.046 4.046 4.271 -0.225 18681 3166 1 5 . 1 1 37 37 TYR CA C 37 63.831 63.831 62.581 1.250 18681 3167 1 5 . 1 1 37 37 TYR CB C 37 37.749 37.749 38.062 -0.313 18681 3168 1 5 . 1 1 37 37 TYR H H 37 8.213 8.213 7.926 0.287 18681 3169 1 5 . 1 1 38 38 CYS N N 38 116.194 116.194 118.379 -2.185 18681 3170 1 5 . 1 1 38 38 CYS HA H 38 4.370 4.370 4.064 0.306 18681 3171 1 5 . 1 1 38 38 CYS CA C 38 64.389 64.389 64.418 -0.029 18681 3172 1 5 . 1 1 38 38 CYS CB C 38 27.945 27.945 26.613 1.332 18681 3173 1 5 . 1 1 38 38 CYS H H 38 8.695 8.695 8.892 -0.197 18681 3174 1 5 . 1 1 39 39 ARG N N 39 117.023 117.023 119.312 -2.289 18681 3175 1 5 . 1 1 39 39 ARG HA H 39 3.804 3.804 3.984 -0.180 18681 3176 1 5 . 1 1 39 39 ARG CA C 39 60.198 60.198 59.605 0.593 18681 3177 1 5 . 1 1 39 39 ARG H H 39 7.005 7.005 8.592 -1.587 18681 3178 1 5 . 1 1 40 40 LEU N N 40 123.317 123.317 121.633 1.684 18681 3179 1 5 . 1 1 40 40 LEU HA H 40 3.813 3.813 3.915 -0.102 18681 3180 1 5 . 1 1 40 40 LEU CA C 40 58.181 58.181 57.608 0.573 18681 3181 1 5 . 1 1 40 40 LEU CB C 40 42.085 42.085 41.540 0.545 18681 3182 1 5 . 1 1 40 40 LEU H H 40 8.326 8.326 7.634 0.692 18681 3183 1 5 . 1 1 41 41 TYR N N 41 118.320 118.320 119.854 -1.534 18681 3184 1 5 . 1 1 41 41 TYR HA H 41 3.732 3.732 3.944 -0.212 18681 3185 1 5 . 1 1 41 41 TYR CA C 41 61.418 61.418 61.785 -0.367 18681 3186 1 5 . 1 1 41 41 TYR CB C 41 38.953 38.953 38.240 0.713 18681 3187 1 5 . 1 1 41 41 TYR H H 41 8.533 8.533 7.927 0.606 18681 3188 1 5 . 1 1 42 42 ALA N N 42 123.644 123.644 122.340 1.304 18681 3189 1 5 . 1 1 42 42 ALA HA H 42 3.482 3.482 3.934 -0.452 18681 3190 1 5 . 1 1 42 42 ALA CA C 42 55.157 55.157 54.622 0.535 18681 3191 1 5 . 1 1 42 42 ALA CB C 42 18.413 18.413 18.489 -0.076 18681 3192 1 5 . 1 1 42 42 ALA H H 42 7.962 7.962 7.903 0.059 18681 3193 1 5 . 1 1 43 43 MET N N 43 117.932 117.932 118.659 -0.727 18681 3194 1 5 . 1 1 43 43 MET HA H 43 3.696 3.696 3.769 -0.073 18681 3195 1 5 . 1 1 43 43 MET CA C 43 58.675 58.675 59.947 -1.272 18681 3196 1 5 . 1 1 43 43 MET H H 43 8.433 8.433 8.008 0.425 18681 3197 1 5 . 1 1 44 44 GLN N N 44 116.738 116.738 117.653 -0.915 18681 3198 1 5 . 1 1 44 44 GLN HA H 44 3.773 3.773 3.792 -0.019 18681 3199 1 5 . 1 1 44 44 GLN CA C 44 58.924 58.924 59.066 -0.142 18681 3200 1 5 . 1 1 44 44 GLN CB C 44 27.921 27.921 28.353 -0.432 18681 3201 1 5 . 1 1 44 44 GLN H H 44 8.307 8.307 7.975 0.332 18681 3202 1 5 . 1 1 45 45 THR N N 45 116.249 116.249 111.751 4.498 18681 3203 1 5 . 1 1 45 45 THR HA H 45 3.479 3.479 3.872 -0.393 18681 3204 1 5 . 1 1 45 45 THR CA C 45 66.529 66.529 65.925 0.604 18681 3205 1 5 . 1 1 45 45 THR CB C 45 67.635 67.635 68.046 -0.411 18681 3206 1 5 . 1 1 45 45 THR H H 45 7.954 7.954 7.588 0.366 18681 3207 1 5 . 1 1 46 46 GLY N N 46 110.016 110.016 110.696 -0.680 18681 3208 1 5 . 1 1 46 46 GLY CA C 46 46.653 46.653 47.082 -0.429 18681 3209 1 5 . 1 1 46 46 GLY H H 46 8.429 8.429 8.183 0.246 18681 3210 1 5 . 1 1 47 47 MET N N 47 118.040 118.040 120.551 -2.511 18681 3211 1 5 . 1 1 47 47 MET HA H 47 3.876 3.876 4.566 -0.690 18681 3212 1 5 . 1 1 47 47 MET CA C 47 58.136 58.136 58.067 0.069 18681 3213 1 5 . 1 1 47 47 MET CB C 47 32.445 32.445 31.800 0.645 18681 3214 1 5 . 1 1 47 47 MET H H 47 8.160 8.160 8.219 -0.059 18681 3215 1 5 . 1 1 48 48 LYS N N 48 116.712 116.712 119.550 -2.838 18681 3216 1 5 . 1 1 48 48 LYS HA H 48 4.012 4.012 4.025 -0.013 18681 3217 1 5 . 1 1 48 48 LYS CA C 48 57.945 57.945 58.845 -0.900 18681 3218 1 5 . 1 1 48 48 LYS CB C 48 32.533 32.533 32.475 0.058 18681 3219 1 5 . 1 1 48 48 LYS H H 48 6.958 6.958 7.744 -0.786 18681 3220 1 5 . 1 1 49 49 ILE N N 49 120.903 120.903 117.573 3.330 18681 3221 1 5 . 1 1 49 49 ILE HA H 49 3.718 3.718 3.900 -0.182 18681 3222 1 5 . 1 1 49 49 ILE CA C 49 64.863 64.863 64.151 0.712 18681 3223 1 5 . 1 1 49 49 ILE CB C 49 39.087 39.087 38.798 0.289 18681 3224 1 5 . 1 1 49 49 ILE H H 49 7.609 7.609 7.745 -0.136 18681 3225 1 5 . 1 1 50 50 ASP N N 50 115.959 115.959 119.055 -3.096 18681 3226 1 5 . 1 1 50 50 ASP HA H 50 4.488 4.488 4.915 -0.427 18681 3227 1 5 . 1 1 50 50 ASP CA C 50 55.393 55.393 53.598 1.795 18681 3228 1 5 . 1 1 50 50 ASP CB C 50 40.952 40.952 42.856 -1.904 18681 3229 1 5 . 1 1 50 50 ASP H H 50 8.214 8.214 8.314 -0.100 18681 3230 1 5 . 1 1 51 51 SER N N 51 115.917 115.917 119.487 -3.570 18681 3231 1 5 . 1 1 51 51 SER HA H 51 4.566 4.566 4.323 0.243 18681 3232 1 5 . 1 1 51 51 SER CA C 51 56.544 56.544 61.038 -4.494 18681 3233 1 5 . 1 1 51 51 SER CB C 51 64.126 64.126 63.964 0.162 18681 3234 1 5 . 1 1 51 51 SER H H 51 8.438 8.438 8.706 -0.268 18681 3235 1 5 . 1 1 52 52 LYS N N 52 122.213 122.213 120.271 1.942 18681 3236 1 5 . 1 1 52 52 LYS HA H 52 4.438 4.438 4.514 -0.076 18681 3237 1 5 . 1 1 52 52 LYS CB C 52 35.344 35.344 33.690 1.654 18681 3238 1 5 . 1 1 52 52 LYS H H 52 8.937 8.937 8.176 0.761 18681 3239 1 5 . 1 1 53 53 THR N N 53 122.291 122.291 121.204 1.087 18681 3240 1 5 . 1 1 53 53 THR HA H 53 4.273 4.273 4.787 -0.514 18681 3241 1 5 . 1 1 53 53 THR CA C 53 61.837 61.837 59.111 2.726 18681 3242 1 5 . 1 1 53 53 THR CB C 53 68.067 68.067 68.863 -0.796 18681 3243 1 5 . 1 1 53 53 THR H H 53 9.437 9.437 8.116 1.321 18681 3244 1 5 . 1 1 54 54 PRO HA H 54 4.050 4.050 4.123 -0.073 18681 3245 1 5 . 1 1 54 54 PRO CA C 54 66.870 66.870 65.673 1.197 18681 3246 1 5 . 1 1 54 54 PRO CB C 54 31.670 31.670 32.059 -0.389 18681 3247 1 5 . 1 1 55 55 GLU N N 55 116.532 116.532 116.621 -0.089 18681 3248 1 5 . 1 1 55 55 GLU HA H 55 4.024 4.024 4.336 -0.312 18681 3249 1 5 . 1 1 55 55 GLU CA C 55 59.870 59.870 58.693 1.177 18681 3250 1 5 . 1 1 55 55 GLU CB C 55 28.759 28.759 29.492 -0.733 18681 3251 1 5 . 1 1 55 55 GLU H H 55 9.352 9.352 8.820 0.532 18681 3252 1 5 . 1 1 56 56 CYS N N 56 119.066 119.066 118.630 0.436 18681 3253 1 5 . 1 1 56 56 CYS HA H 56 3.759 3.759 4.450 -0.691 18681 3254 1 5 . 1 1 56 56 CYS CA C 56 63.167 63.167 62.100 1.067 18681 3255 1 5 . 1 1 56 56 CYS CB C 56 26.891 26.891 27.877 -0.986 18681 3256 1 5 . 1 1 56 56 CYS H H 56 7.126 7.126 7.560 -0.434 18681 3257 1 5 . 1 1 57 57 ARG N N 57 119.779 119.779 121.592 -1.813 18681 3258 1 5 . 1 1 57 57 ARG HA H 57 3.876 3.876 3.866 0.010 18681 3259 1 5 . 1 1 57 57 ARG CA C 57 60.025 60.025 60.569 -0.544 18681 3260 1 5 . 1 1 57 57 ARG H H 57 8.252 8.252 9.013 -0.761 18681 3261 1 5 . 1 1 58 58 LYS N N 58 119.155 119.155 118.096 1.059 18681 3262 1 5 . 1 1 58 58 LYS HA H 58 4.056 4.056 4.017 0.039 18681 3263 1 5 . 1 1 58 58 LYS CA C 58 59.205 59.205 59.334 -0.128 18681 3264 1 5 . 1 1 58 58 LYS CB C 58 32.127 32.127 32.142 -0.016 18681 3265 1 5 . 1 1 58 58 LYS H H 58 8.394 8.394 8.008 0.386 18681 3266 1 5 . 1 1 59 59 PHE N N 59 119.989 119.989 121.184 -1.195 18681 3267 1 5 . 1 1 59 59 PHE HA H 59 3.748 3.748 4.171 -0.423 18681 3268 1 5 . 1 1 59 59 PHE CA C 59 63.103 63.103 61.447 1.656 18681 3269 1 5 . 1 1 59 59 PHE CB C 59 39.644 39.644 39.096 0.548 18681 3270 1 5 . 1 1 59 59 PHE H H 59 7.720 7.720 8.073 -0.353 18681 3271 1 5 . 1 1 60 60 LEU N N 60 117.203 117.203 119.656 -2.453 18681 3272 1 5 . 1 1 60 60 LEU HA H 60 3.991 3.991 3.899 0.092 18681 3273 1 5 . 1 1 60 60 LEU CA C 60 57.969 57.969 58.156 -0.187 18681 3274 1 5 . 1 1 60 60 LEU CB C 60 41.187 41.187 41.570 -0.383 18681 3275 1 5 . 1 1 60 60 LEU H H 60 8.685 8.685 8.666 0.019 18681 3276 1 5 . 1 1 61 61 SER N N 61 114.724 114.724 115.654 -0.930 18681 3277 1 5 . 1 1 61 61 SER HA H 61 4.188 4.188 4.044 0.144 18681 3278 1 5 . 1 1 61 61 SER CA C 61 61.650 61.650 61.984 -0.334 18681 3279 1 5 . 1 1 61 61 SER CB C 61 62.589 62.589 63.023 -0.434 18681 3280 1 5 . 1 1 61 61 SER H H 61 8.107 8.107 8.351 -0.244 18681 3281 1 5 . 1 1 62 62 LYS N N 62 120.164 120.164 121.947 -1.783 18681 3282 1 5 . 1 1 62 62 LYS HA H 62 4.147 4.147 4.204 -0.057 18681 3283 1 5 . 1 1 62 62 LYS CA C 62 57.139 57.139 59.031 -1.892 18681 3284 1 5 . 1 1 62 62 LYS CB C 62 30.881 30.881 32.332 -1.451 18681 3285 1 5 . 1 1 62 62 LYS H H 62 7.541 7.541 7.998 -0.457 18681 3286 1 5 . 1 1 63 63 LEU N N 63 123.446 123.446 121.814 1.632 18681 3287 1 5 . 1 1 63 63 LEU HA H 63 3.926 3.926 3.914 0.012 18681 3288 1 5 . 1 1 63 63 LEU CA C 63 57.709 57.709 57.851 -0.142 18681 3289 1 5 . 1 1 63 63 LEU CB C 63 41.222 41.222 41.806 -0.584 18681 3290 1 5 . 1 1 63 63 LEU H H 63 8.238 8.238 7.946 0.292 18681 3291 1 5 . 1 1 64 64 MET N N 64 120.864 120.864 117.314 3.550 18681 3292 1 5 . 1 1 64 64 MET HA H 64 4.143 4.143 4.089 0.054 18681 3293 1 5 . 1 1 64 64 MET CA C 64 58.644 58.644 56.854 1.790 18681 3294 1 5 . 1 1 64 64 MET CB C 64 31.625 31.625 31.470 0.155 18681 3295 1 5 . 1 1 64 64 MET H H 64 8.608 8.608 8.167 0.441 18681 3296 1 5 . 1 1 65 65 ASP N N 65 119.121 119.121 120.996 -1.875 18681 3297 1 5 . 1 1 65 65 ASP HA H 65 4.373 4.373 4.633 -0.260 18681 3298 1 5 . 1 1 65 65 ASP CA C 65 57.390 57.390 57.058 0.332 18681 3299 1 5 . 1 1 65 65 ASP CB C 65 39.956 39.956 39.981 -0.025 18681 3300 1 5 . 1 1 65 65 ASP H H 65 7.857 7.857 7.905 -0.048 18681 3301 1 5 . 1 1 66 66 GLN N N 66 119.748 119.748 119.286 0.462 18681 3302 1 5 . 1 1 66 66 GLN HA H 66 4.084 4.084 4.026 0.058 18681 3303 1 5 . 1 1 66 66 GLN CB C 66 28.222 28.222 28.739 -0.517 18681 3304 1 5 . 1 1 66 66 GLN H H 66 7.703 7.703 7.620 0.083 18681 3305 1 5 . 1 1 67 67 LEU N N 67 120.349 120.349 121.182 -0.833 18681 3306 1 5 . 1 1 67 67 LEU HA H 67 3.890 3.890 3.761 0.129 18681 3307 1 5 . 1 1 67 67 LEU CA C 67 58.914 58.914 58.318 0.596 18681 3308 1 5 . 1 1 67 67 LEU H H 67 8.356 8.356 7.567 0.789 18681 3309 1 5 . 1 1 68 68 GLU N N 68 118.268 118.268 118.504 -0.236 18681 3310 1 5 . 1 1 68 68 GLU HA H 68 4.018 4.018 4.018 -0.000 18681 3311 1 5 . 1 1 68 68 GLU CA C 68 59.174 59.174 59.100 0.074 18681 3312 1 5 . 1 1 68 68 GLU CB C 68 29.419 29.419 29.010 0.409 18681 3313 1 5 . 1 1 68 68 GLU H H 68 8.547 8.547 7.999 0.548 18681 3314 1 5 . 1 1 69 69 ALA N N 69 122.349 122.349 123.254 -0.905 18681 3315 1 5 . 1 1 69 69 ALA HA H 69 4.126 4.126 4.054 0.072 18681 3316 1 5 . 1 1 69 69 ALA CA C 69 54.937 54.937 55.008 -0.071 18681 3317 1 5 . 1 1 69 69 ALA CB C 69 18.147 18.147 18.202 -0.055 18681 3318 1 5 . 1 1 69 69 ALA H H 69 7.853 7.853 8.055 -0.202 18681 3319 1 5 . 1 1 70 70 LEU N N 70 120.257 120.257 118.999 1.258 18681 3320 1 5 . 1 1 70 70 LEU HA H 70 4.016 4.016 3.896 0.120 18681 3321 1 5 . 1 1 70 70 LEU CA C 70 57.750 57.750 58.053 -0.303 18681 3322 1 5 . 1 1 70 70 LEU CB C 70 42.623 42.623 41.806 0.817 18681 3323 1 5 . 1 1 70 70 LEU H H 70 8.553 8.553 8.265 0.288 18681 3324 1 5 . 1 1 71 71 LYS HA H 71 3.431 3.431 3.782 -0.351 18681 3325 1 5 . 1 1 71 71 LYS CB C 71 32.132 32.132 32.274 -0.142 18681 3326 1 5 . 1 1 71 71 LYS H H 71 8.636 8.636 7.799 0.837 18681 3327 1 5 . 1 1 72 72 LYS N N 72 117.417 117.417 118.587 -1.170 18681 3328 1 5 . 1 1 72 72 LYS HA H 72 4.007 4.007 3.998 0.009 18681 3329 1 5 . 1 1 72 72 LYS CA C 72 58.936 58.936 58.851 0.085 18681 3330 1 5 . 1 1 72 72 LYS H H 72 7.620 7.620 8.151 -0.531 18681 3331 1 5 . 1 1 73 73 GLN N N 73 119.180 119.180 118.999 0.181 18681 3332 1 5 . 1 1 73 73 GLN HA H 73 4.027 4.027 4.047 -0.020 18681 3333 1 5 . 1 1 73 73 GLN CA C 73 58.084 58.084 58.508 -0.424 18681 3334 1 5 . 1 1 73 73 GLN CB C 73 29.044 29.044 28.749 0.295 18681 3335 1 5 . 1 1 73 73 GLN H H 73 7.798 7.798 7.819 -0.021 18681 3336 1 5 . 1 1 74 74 LEU N N 74 118.230 118.230 117.004 1.226 18681 3337 1 5 . 1 1 74 74 LEU HA H 74 4.258 4.258 4.040 0.218 18681 3338 1 5 . 1 1 74 74 LEU CA C 74 55.050 55.050 55.980 -0.930 18681 3339 1 5 . 1 1 74 74 LEU CB C 74 42.380 42.380 42.577 -0.197 18681 3340 1 5 . 1 1 74 74 LEU H H 74 8.050 8.050 7.784 0.266 18681 3341 1 5 . 1 1 75 75 GLY N N 75 106.441 106.441 106.688 -0.247 18681 3342 1 5 . 1 1 75 75 GLY CA C 75 47.098 47.098 46.115 0.983 18681 3343 1 5 . 1 1 75 75 GLY H H 75 7.420 7.420 8.494 -1.074 18681 3344 1 5 . 1 1 76 76 ASP N N 76 121.520 121.520 126.259 -4.739 18681 3345 1 5 . 1 1 76 76 ASP HA H 76 4.533 4.533 4.589 -0.056 18681 3346 1 5 . 1 1 76 76 ASP CA C 76 53.148 53.148 53.053 0.095 18681 3347 1 5 . 1 1 76 76 ASP CB C 76 39.714 39.714 39.071 0.643 18681 3348 1 5 . 1 1 76 76 ASP H H 76 8.332 8.332 8.293 0.039 18681 3349 1 5 . 1 1 77 77 ASN N N 77 121.250 121.250 120.758 0.492 18681 3350 1 5 . 1 1 77 77 ASN HA H 77 4.489 4.489 4.884 -0.395 18681 3351 1 5 . 1 1 77 77 ASN CA C 77 54.063 54.063 52.280 1.783 18681 3352 1 5 . 1 1 77 77 ASN CB C 77 40.058 40.058 41.891 -1.833 18681 3353 1 5 . 1 1 77 77 ASN H H 77 7.725 7.725 7.904 -0.179 18681 3354 1 5 . 1 1 78 78 GLU N N 78 129.390 129.390 126.590 2.800 18681 3355 1 5 . 1 1 78 78 GLU HA H 78 4.225 4.225 4.035 0.190 18681 3356 1 5 . 1 1 78 78 GLU CA C 78 58.888 58.888 60.192 -1.304 18681 3357 1 5 . 1 1 78 78 GLU CB C 78 29.698 29.698 29.752 -0.054 18681 3358 1 5 . 1 1 78 78 GLU H H 78 9.282 9.282 9.014 0.268 18681 3359 1 5 . 1 1 79 79 ALA N N 79 116.576 116.576 122.281 -5.705 18681 3360 1 5 . 1 1 79 79 ALA HA H 79 4.079 4.079 4.313 -0.234 18681 3361 1 5 . 1 1 79 79 ALA CA C 79 53.222 53.222 55.151 -1.929 18681 3362 1 5 . 1 1 79 79 ALA CB C 79 19.347 19.347 18.487 0.860 18681 3363 1 5 . 1 1 79 79 ALA H H 79 8.285 8.285 8.261 0.024 18681 3364 1 5 . 1 1 80 80 ILE N N 80 116.410 116.410 117.388 -0.978 18681 3365 1 5 . 1 1 80 80 ILE HA H 80 4.043 4.043 3.659 0.384 18681 3366 1 5 . 1 1 80 80 ILE CA C 80 59.695 59.695 63.953 -4.258 18681 3367 1 5 . 1 1 80 80 ILE CB C 80 36.642 36.642 37.220 -0.578 18681 3368 1 5 . 1 1 80 80 ILE H H 80 7.857 7.857 7.820 0.037 18681 3369 1 5 . 1 1 81 81 THR N N 81 110.649 110.649 111.472 -0.823 18681 3370 1 5 . 1 1 81 81 THR HA H 81 4.079 4.079 4.136 -0.057 18681 3371 1 5 . 1 1 81 81 THR CA C 81 63.509 63.509 63.914 -0.406 18681 3372 1 5 . 1 1 81 81 THR CB C 81 68.764 68.764 69.450 -0.686 18681 3373 1 5 . 1 1 81 81 THR H H 81 7.869 7.869 7.963 -0.094 18681 3374 1 5 . 1 1 82 82 GLN N N 82 120.522 120.522 122.353 -1.831 18681 3375 1 5 . 1 1 82 82 GLN HA H 82 4.743 4.743 4.550 0.193 18681 3376 1 5 . 1 1 82 82 GLN CB C 82 29.184 29.184 29.747 -0.563 18681 3377 1 5 . 1 1 82 82 GLN H H 82 8.016 8.016 8.318 -0.302 18681 3378 1 5 . 1 1 83 83 GLU N N 83 126.907 126.907 127.019 -0.112 18681 3379 1 5 . 1 1 83 83 GLU HA H 83 4.011 4.011 4.217 -0.206 18681 3380 1 5 . 1 1 83 83 GLU CA C 83 60.736 60.736 59.252 1.484 18681 3381 1 5 . 1 1 83 83 GLU CB C 83 29.353 29.353 29.455 -0.102 18681 3382 1 5 . 1 1 83 83 GLU H H 83 9.146 9.146 9.156 -0.010 18681 3383 1 5 . 1 1 84 84 ILE N N 84 115.693 115.693 115.364 0.329 18681 3384 1 5 . 1 1 84 84 ILE HA H 84 3.764 3.764 3.685 0.079 18681 3385 1 5 . 1 1 84 84 ILE CA C 84 63.908 63.908 64.430 -0.522 18681 3386 1 5 . 1 1 84 84 ILE CB C 84 37.762 37.762 36.988 0.774 18681 3387 1 5 . 1 1 84 84 ILE H H 84 8.460 8.460 7.969 0.491 18681 3388 1 5 . 1 1 85 85 VAL N N 85 123.415 123.415 120.793 2.622 18681 3389 1 5 . 1 1 85 85 VAL HA H 85 3.714 3.714 3.684 0.030 18681 3390 1 5 . 1 1 85 85 VAL CA C 85 65.226 65.226 66.378 -1.152 18681 3391 1 5 . 1 1 85 85 VAL CB C 85 31.142 31.142 30.844 0.298 18681 3392 1 5 . 1 1 85 85 VAL H H 85 7.034 7.034 7.898 -0.864 18681 3393 1 5 . 1 1 86 86 GLY N N 86 110.422 110.422 107.540 2.882 18681 3394 1 5 . 1 1 86 86 GLY CA C 86 49.167 49.167 47.413 1.754 18681 3395 1 5 . 1 1 86 86 GLY H H 86 8.139 8.139 7.969 0.170 18681 3396 1 5 . 1 1 87 87 CYS N N 87 121.087 121.087 120.863 0.224 18681 3397 1 5 . 1 1 87 87 CYS HA H 87 2.923 2.923 3.714 -0.791 18681 3398 1 5 . 1 1 87 87 CYS CA C 87 62.064 62.064 63.621 -1.557 18681 3399 1 5 . 1 1 87 87 CYS CB C 87 25.682 25.682 26.324 -0.642 18681 3400 1 5 . 1 1 87 87 CYS H H 87 8.052 8.052 8.421 -0.369 18681 3401 1 5 . 1 1 88 88 ALA N N 88 119.739 119.739 123.404 -3.665 18681 3402 1 5 . 1 1 88 88 ALA HA H 88 4.109 4.109 3.995 0.114 18681 3403 1 5 . 1 1 88 88 ALA CA C 88 54.895 54.895 54.912 -0.017 18681 3404 1 5 . 1 1 88 88 ALA CB C 88 17.680 17.680 18.023 -0.343 18681 3405 1 5 . 1 1 88 88 ALA H H 88 7.230 7.230 8.319 -1.089 18681 3406 1 5 . 1 1 89 89 HIS N N 89 118.056 118.056 119.256 -1.200 18681 3407 1 5 . 1 1 89 89 HIS HA H 89 4.172 4.172 4.231 -0.059 18681 3408 1 5 . 1 1 89 89 HIS CA C 89 59.587 59.587 60.087 -0.500 18681 3409 1 5 . 1 1 89 89 HIS CB C 89 30.446 30.446 29.897 0.549 18681 3410 1 5 . 1 1 89 89 HIS H H 89 8.190 8.190 7.707 0.483 18681 3411 1 5 . 1 1 90 90 LEU N N 90 120.375 120.375 119.366 1.009 18681 3412 1 5 . 1 1 90 90 LEU HA H 90 3.953 3.953 4.032 -0.079 18681 3413 1 5 . 1 1 90 90 LEU CA C 90 57.959 57.959 58.725 -0.766 18681 3414 1 5 . 1 1 90 90 LEU CB C 90 41.434 41.434 41.686 -0.252 18681 3415 1 5 . 1 1 90 90 LEU H H 90 8.115 8.115 8.016 0.099 18681 3416 1 5 . 1 1 91 91 GLU N N 91 119.711 119.711 119.862 -0.151 18681 3417 1 5 . 1 1 91 91 GLU HA H 91 3.801 3.801 3.756 0.045 18681 3418 1 5 . 1 1 91 91 GLU CA C 91 60.130 60.130 59.759 0.371 18681 3419 1 5 . 1 1 91 91 GLU CB C 91 29.870 29.870 29.482 0.388 18681 3420 1 5 . 1 1 91 91 GLU H H 91 9.186 9.186 8.441 0.745 18681 3421 1 5 . 1 1 92 92 ASN N N 92 116.626 116.626 118.022 -1.396 18681 3422 1 5 . 1 1 92 92 ASN HA H 92 4.411 4.411 4.337 0.074 18681 3423 1 5 . 1 1 92 92 ASN CA C 92 56.280 56.280 55.982 0.298 18681 3424 1 5 . 1 1 92 92 ASN CB C 92 38.464 38.464 38.581 -0.117 18681 3425 1 5 . 1 1 92 92 ASN H H 92 8.392 8.392 8.145 0.247 18681 3426 1 5 . 1 1 93 93 TYR N N 93 121.123 121.123 120.678 0.445 18681 3427 1 5 . 1 1 93 93 TYR HA H 93 4.465 4.465 4.057 0.408 18681 3428 1 5 . 1 1 93 93 TYR CA C 93 59.339 59.339 60.690 -1.351 18681 3429 1 5 . 1 1 93 93 TYR CB C 93 38.593 38.593 38.049 0.544 18681 3430 1 5 . 1 1 93 93 TYR H H 93 7.742 7.742 7.704 0.038 18681 3431 1 5 . 1 1 94 94 ALA N N 94 120.589 120.589 122.111 -1.522 18681 3432 1 5 . 1 1 94 94 ALA HA H 94 3.742 3.742 4.008 -0.266 18681 3433 1 5 . 1 1 94 94 ALA CA C 94 55.340 55.340 55.444 -0.104 18681 3434 1 5 . 1 1 94 94 ALA CB C 94 17.779 17.779 18.272 -0.493 18681 3435 1 5 . 1 1 94 94 ALA H H 94 8.811 8.811 7.906 0.905 18681 3436 1 5 . 1 1 95 95 LEU HA H 95 4.132 4.132 4.154 -0.022 18681 3437 1 5 . 1 1 95 95 LEU CB C 95 40.964 40.964 40.533 0.431 18681 3438 1 5 . 1 1 95 95 LEU H H 95 8.345 8.345 7.869 0.476 18681 3439 1 5 . 1 1 96 96 LYS N N 96 119.704 119.704 120.479 -0.775 18681 3440 1 5 . 1 1 96 96 LYS HA H 96 3.971 3.971 3.973 -0.002 18681 3441 1 5 . 1 1 96 96 LYS CA C 96 59.877 59.877 60.037 -0.160 18681 3442 1 5 . 1 1 96 96 LYS CB C 96 32.096 32.096 32.388 -0.292 18681 3443 1 5 . 1 1 96 96 LYS H H 96 8.057 8.057 7.830 0.227 18681 3444 1 5 . 1 1 97 97 MET N N 97 119.269 119.269 118.264 1.005 18681 3445 1 5 . 1 1 97 97 MET HA H 97 4.146 4.146 4.251 -0.105 18681 3446 1 5 . 1 1 97 97 MET CA C 97 59.020 59.020 58.182 0.838 18681 3447 1 5 . 1 1 97 97 MET CB C 97 32.949 32.949 32.494 0.455 18681 3448 1 5 . 1 1 97 97 MET H H 97 7.791 7.791 7.930 -0.139 18681 3449 1 5 . 1 1 98 98 PHE N N 98 120.493 120.493 121.261 -0.768 18681 3450 1 5 . 1 1 98 98 PHE HA H 98 3.686 3.686 4.108 -0.422 18681 3451 1 5 . 1 1 98 98 PHE CA C 98 62.257 62.257 62.555 -0.298 18681 3452 1 5 . 1 1 98 98 PHE CB C 98 39.929 39.929 39.370 0.559 18681 3453 1 5 . 1 1 98 98 PHE H H 98 8.584 8.584 8.704 -0.120 18681 3454 1 5 . 1 1 99 99 LEU N N 99 118.196 118.196 119.184 -0.988 18681 3455 1 5 . 1 1 99 99 LEU HA H 99 3.923 3.923 3.991 -0.068 18681 3456 1 5 . 1 1 99 99 LEU CA C 99 57.670 57.670 58.404 -0.734 18681 3457 1 5 . 1 1 99 99 LEU CB C 99 41.371 41.371 41.738 -0.367 18681 3458 1 5 . 1 1 99 99 LEU H H 99 9.148 9.148 9.013 0.135 18681 3459 1 5 . 1 1 100 100 TYR N N 100 119.695 119.695 120.428 -0.733 18681 3460 1 5 . 1 1 100 100 TYR HA H 100 4.179 4.179 4.004 0.175 18681 3461 1 5 . 1 1 100 100 TYR CA C 100 60.511 60.511 61.802 -1.291 18681 3462 1 5 . 1 1 100 100 TYR CB C 100 37.397 37.397 38.330 -0.933 18681 3463 1 5 . 1 1 100 100 TYR H H 100 7.699 7.699 8.279 -0.580 18681 3464 1 5 . 1 1 101 101 ALA N N 101 123.078 123.078 121.262 1.816 18681 3465 1 5 . 1 1 101 101 ALA HA H 101 2.916 2.916 3.713 -0.797 18681 3466 1 5 . 1 1 101 101 ALA CA C 101 55.042 55.042 55.128 -0.086 18681 3467 1 5 . 1 1 101 101 ALA CB C 101 16.049 16.049 17.545 -1.496 18681 3468 1 5 . 1 1 101 101 ALA H H 101 7.385 7.385 8.422 -1.037 18681 3469 1 5 . 1 1 102 102 ASP N N 102 117.073 117.073 118.796 -1.723 18681 3470 1 5 . 1 1 102 102 ASP HA H 102 4.287 4.287 4.325 -0.038 18681 3471 1 5 . 1 1 102 102 ASP CA C 102 57.049 57.049 57.140 -0.091 18681 3472 1 5 . 1 1 102 102 ASP CB C 102 42.898 42.898 40.641 2.257 18681 3473 1 5 . 1 1 102 102 ASP H H 102 8.539 8.539 8.184 0.355 18681 3474 1 5 . 1 1 103 103 ASN N N 103 116.630 116.630 117.758 -1.128 18681 3475 1 5 . 1 1 103 103 ASN HA H 103 4.264 4.264 4.371 -0.107 18681 3476 1 5 . 1 1 103 103 ASN CA C 103 56.386 56.386 56.035 0.351 18681 3477 1 5 . 1 1 103 103 ASN CB C 103 38.332 38.332 38.251 0.081 18681 3478 1 5 . 1 1 103 103 ASN H H 103 7.970 7.970 8.315 -0.345 18681 3479 1 5 . 1 1 104 104 GLU N N 104 118.811 118.811 120.077 -1.266 18681 3480 1 5 . 1 1 104 104 GLU HA H 104 3.619 3.619 3.953 -0.334 18681 3481 1 5 . 1 1 104 104 GLU CA C 104 58.982 58.982 59.064 -0.082 18681 3482 1 5 . 1 1 104 104 GLU H H 104 7.474 7.474 7.609 -0.135 18681 3483 1 5 . 1 1 105 105 ASP N N 105 120.013 120.013 119.655 0.358 18681 3484 1 5 . 1 1 105 105 ASP HA H 105 3.818 3.818 4.540 -0.722 18681 3485 1 5 . 1 1 105 105 ASP CA C 105 57.508 57.508 57.005 0.503 18681 3486 1 5 . 1 1 105 105 ASP CB C 105 43.738 43.738 40.978 2.760 18681 3487 1 5 . 1 1 105 105 ASP H H 105 8.212 8.212 8.024 0.188 18681 3488 1 5 . 1 1 106 106 ARG N N 106 116.747 116.747 119.452 -2.705 18681 3489 1 5 . 1 1 106 106 ARG HA H 106 3.804 3.804 4.080 -0.276 18681 3490 1 5 . 1 1 106 106 ARG CA C 106 59.150 59.150 58.471 0.679 18681 3491 1 5 . 1 1 106 106 ARG CB C 106 30.083 30.083 30.219 -0.136 18681 3492 1 5 . 1 1 106 106 ARG H H 106 8.532 8.532 8.074 0.458 18681 3493 1 5 . 1 1 107 107 ALA N N 107 119.388 119.388 118.518 0.870 18681 3494 1 5 . 1 1 107 107 ALA HA H 107 4.232 4.232 4.153 0.079 18681 3495 1 5 . 1 1 107 107 ALA CA C 107 51.407 51.407 52.727 -1.320 18681 3496 1 5 . 1 1 107 107 ALA CB C 107 18.572 18.572 18.908 -0.336 18681 3497 1 5 . 1 1 107 107 ALA H H 107 7.302 7.302 7.511 -0.209 18681 3498 1 5 . 1 1 108 108 GLY N N 108 108.840 108.840 105.781 3.059 18681 3499 1 5 . 1 1 108 108 GLY CA C 108 45.735 45.735 44.596 1.139 18681 3500 1 5 . 1 1 108 108 GLY H H 108 7.905 7.905 7.600 0.305 18681 3501 1 5 . 1 1 109 109 ARG N N 109 121.140 121.140 120.186 0.954 18681 3502 1 5 . 1 1 109 109 ARG HA H 109 4.126 4.126 4.055 0.071 18681 3503 1 5 . 1 1 109 109 ARG CA C 109 55.361 55.361 54.346 1.016 18681 3504 1 5 . 1 1 109 109 ARG H H 109 7.642 7.642 7.293 0.349 18681 3505 1 5 . 1 1 110 110 PHE N N 110 119.534 119.534 123.034 -3.500 18681 3506 1 5 . 1 1 110 110 PHE HA H 110 4.950 4.950 4.757 0.193 18681 3507 1 5 . 1 1 110 110 PHE CA C 110 55.415 55.415 55.700 -0.285 18681 3508 1 5 . 1 1 110 110 PHE H H 110 7.644 7.644 7.940 -0.296 18681 3509 1 5 . 1 1 111 111 HIS N N 111 116.408 116.408 121.722 -5.314 18681 3510 1 5 . 1 1 111 111 HIS HA H 111 4.757 4.757 4.830 -0.073 18681 3511 1 5 . 1 1 111 111 HIS CB C 111 32.022 32.022 32.966 -0.944 18681 3512 1 5 . 1 1 111 111 HIS H H 111 6.789 6.789 8.259 -1.470 18681 3513 1 5 . 1 1 112 112 LYS N N 112 119.836 119.836 123.297 -3.461 18681 3514 1 5 . 1 1 112 112 LYS HA H 112 4.059 4.059 3.969 0.090 18681 3515 1 5 . 1 1 112 112 LYS H H 112 8.267 8.267 8.800 -0.533 18681 3516 1 5 . 1 1 113 113 ASN N N 113 118.047 118.047 117.518 0.529 18681 3517 1 5 . 1 1 113 113 ASN HA H 113 4.737 4.737 4.506 0.231 18681 3518 1 5 . 1 1 113 113 ASN CB C 113 38.295 38.295 38.491 -0.196 18681 3519 1 5 . 1 1 113 113 ASN H H 113 8.831 8.831 8.419 0.412 18681 3520 1 5 . 1 1 114 114 MET N N 114 119.081 119.081 118.391 0.690 18681 3521 1 5 . 1 1 114 114 MET HA H 114 4.379 4.379 4.176 0.203 18681 3522 1 5 . 1 1 114 114 MET CA C 114 58.194 58.194 59.555 -1.361 18681 3523 1 5 . 1 1 114 114 MET H H 114 8.520 8.520 8.213 0.307 18681 3524 1 5 . 1 1 115 115 ILE N N 115 125.193 125.193 119.529 5.664 18681 3525 1 5 . 1 1 115 115 ILE HA H 115 3.651 3.651 3.918 -0.267 18681 3526 1 5 . 1 1 115 115 ILE CA C 115 66.869 66.869 64.022 2.848 18681 3527 1 5 . 1 1 115 115 ILE CB C 115 39.162 39.162 36.250 2.912 18681 3528 1 5 . 1 1 115 115 ILE H H 115 7.737 7.737 7.510 0.227 18681 3529 1 5 . 1 1 116 116 LYS N N 116 118.190 118.190 120.512 -2.322 18681 3530 1 5 . 1 1 116 116 LYS HA H 116 4.150 4.150 3.967 0.183 18681 3531 1 5 . 1 1 116 116 LYS CA C 116 59.379 59.379 59.941 -0.562 18681 3532 1 5 . 1 1 116 116 LYS CB C 116 32.097 32.097 32.395 -0.298 18681 3533 1 5 . 1 1 116 116 LYS H H 116 8.393 8.393 7.938 0.455 18681 3534 1 5 . 1 1 117 117 SER N N 117 117.471 117.471 115.537 1.934 18681 3535 1 5 . 1 1 117 117 SER HA H 117 4.096 4.096 4.201 -0.105 18681 3536 1 5 . 1 1 117 117 SER CA C 117 63.167 63.167 61.815 1.352 18681 3537 1 5 . 1 1 117 117 SER CB C 117 63.135 63.135 62.685 0.450 18681 3538 1 5 . 1 1 117 117 SER H H 117 8.138 8.138 8.058 0.080 18681 3539 1 5 . 1 1 118 118 PHE N N 118 121.885 121.885 122.020 -0.135 18681 3540 1 5 . 1 1 118 118 PHE HA H 118 4.408 4.408 4.254 0.154 18681 3541 1 5 . 1 1 118 118 PHE CA C 118 61.176 61.176 61.828 -0.652 18681 3542 1 5 . 1 1 118 118 PHE CB C 118 38.889 38.889 38.481 0.408 18681 3543 1 5 . 1 1 118 118 PHE H H 118 8.168 8.168 7.812 0.356 18681 3544 1 5 . 1 1 119 119 TYR N N 119 118.356 118.356 120.699 -2.343 18681 3545 1 5 . 1 1 119 119 TYR HA H 119 3.935 3.935 4.135 -0.200 18681 3546 1 5 . 1 1 119 119 TYR CA C 119 62.261 62.261 61.966 0.295 18681 3547 1 5 . 1 1 119 119 TYR CB C 119 38.498 38.498 38.766 -0.268 18681 3548 1 5 . 1 1 119 119 TYR H H 119 8.693 8.693 8.274 0.419 18681 3549 1 5 . 1 1 120 120 THR N N 120 117.468 117.468 115.730 1.738 18681 3550 1 5 . 1 1 120 120 THR HA H 120 3.705 3.705 3.914 -0.209 18681 3551 1 5 . 1 1 120 120 THR CA C 120 67.393 67.393 66.725 0.668 18681 3552 1 5 . 1 1 120 120 THR CB C 120 68.041 68.041 68.392 -0.351 18681 3553 1 5 . 1 1 120 120 THR H H 120 9.582 9.582 8.211 1.371 18681 3554 1 5 . 1 1 121 121 ALA N N 121 124.210 124.210 124.843 -0.633 18681 3555 1 5 . 1 1 121 121 ALA HA H 121 3.940 3.940 4.052 -0.112 18681 3556 1 5 . 1 1 121 121 ALA CA C 121 56.508 56.508 55.313 1.195 18681 3557 1 5 . 1 1 121 121 ALA CB C 121 17.325 17.325 18.318 -0.993 18681 3558 1 5 . 1 1 121 121 ALA H H 121 8.444 8.444 8.086 0.358 18681 3559 1 5 . 1 1 122 122 SER N N 122 111.334 111.334 114.698 -3.364 18681 3560 1 5 . 1 1 122 122 SER HA H 122 4.009 4.009 4.162 -0.153 18681 3561 1 5 . 1 1 122 122 SER CA C 122 62.531 62.531 61.637 0.894 18681 3562 1 5 . 1 1 122 122 SER CB C 122 63.051 63.051 62.937 0.114 18681 3563 1 5 . 1 1 122 122 SER H H 122 7.724 7.724 8.110 -0.386 18681 3564 1 5 . 1 1 123 123 LEU N N 123 122.307 122.307 123.432 -1.125 18681 3565 1 5 . 1 1 123 123 LEU HA H 123 4.092 4.092 3.902 0.190 18681 3566 1 5 . 1 1 123 123 LEU CA C 123 57.100 57.100 57.520 -0.420 18681 3567 1 5 . 1 1 123 123 LEU CB C 123 41.615 41.615 41.629 -0.014 18681 3568 1 5 . 1 1 123 123 LEU H H 123 7.507 7.507 7.458 0.049 18681 3569 1 5 . 1 1 124 124 LEU N N 124 117.851 117.851 119.962 -2.111 18681 3570 1 5 . 1 1 124 124 LEU HA H 124 3.935 3.935 3.941 -0.006 18681 3571 1 5 . 1 1 124 124 LEU CA C 124 56.967 56.967 57.741 -0.774 18681 3572 1 5 . 1 1 124 124 LEU CB C 124 41.832 41.832 40.808 1.024 18681 3573 1 5 . 1 1 124 124 LEU H H 124 8.457 8.457 7.874 0.583 18681 3574 1 5 . 1 1 125 125 ILE N N 125 118.695 118.695 119.391 -0.696 18681 3575 1 5 . 1 1 125 125 ILE HA H 125 3.718 3.718 3.603 0.115 18681 3576 1 5 . 1 1 125 125 ILE CA C 125 65.097 65.097 64.299 0.798 18681 3577 1 5 . 1 1 125 125 ILE CB C 125 36.775 36.775 36.335 0.440 18681 3578 1 5 . 1 1 125 125 ILE H H 125 7.766 7.766 7.721 0.045 18681 3579 1 5 . 1 1 126 126 ASP N N 126 117.428 117.428 120.761 -3.333 18681 3580 1 5 . 1 1 126 126 ASP HA H 126 4.128 4.128 4.403 -0.275 18681 3581 1 5 . 1 1 126 126 ASP CA C 126 57.998 57.998 57.865 0.133 18681 3582 1 5 . 1 1 126 126 ASP CB C 126 39.372 39.372 40.181 -0.809 18681 3583 1 5 . 1 1 126 126 ASP H H 126 7.288 7.288 7.809 -0.521 18681 3584 1 5 . 1 1 127 127 VAL N N 127 120.003 120.003 117.178 2.825 18681 3585 1 5 . 1 1 127 127 VAL HA H 127 2.992 2.992 3.915 -0.923 18681 3586 1 5 . 1 1 127 127 VAL CA C 127 65.615 65.615 65.702 -0.087 18681 3587 1 5 . 1 1 127 127 VAL CB C 127 30.498 30.498 31.720 -1.222 18681 3588 1 5 . 1 1 127 127 VAL H H 127 7.366 7.366 7.608 -0.242 18681 3589 1 5 . 1 1 128 128 ILE N N 128 117.743 117.743 117.534 0.209 18681 3590 1 5 . 1 1 128 128 ILE HA H 128 3.956 3.956 4.191 -0.235 18681 3591 1 5 . 1 1 128 128 ILE CA C 128 64.219 64.219 63.705 0.514 18681 3592 1 5 . 1 1 128 128 ILE CB C 128 37.930 37.930 38.183 -0.253 18681 3593 1 5 . 1 1 128 128 ILE H H 128 7.727 7.727 7.522 0.205 18681 3594 1 5 . 1 1 129 129 THR N N 129 114.535 114.535 114.592 -0.057 18681 3595 1 5 . 1 1 129 129 THR HA H 129 4.638 4.638 4.051 0.587 18681 3596 1 5 . 1 1 129 129 THR CA C 129 64.808 64.808 66.171 -1.363 18681 3597 1 5 . 1 1 129 129 THR CB C 129 69.759 69.759 68.886 0.873 18681 3598 1 5 . 1 1 129 129 THR H H 129 7.873 7.873 8.484 -0.611 18681 3599 1 5 . 1 1 130 130 VAL N N 130 118.351 118.351 118.944 -0.593 18681 3600 1 5 . 1 1 130 130 VAL HA H 130 4.014 4.014 3.695 0.319 18681 3601 1 5 . 1 1 130 130 VAL CA C 130 64.220 64.220 64.931 -0.712 18681 3602 1 5 . 1 1 130 130 VAL CB C 130 31.307 31.307 30.649 0.657 18681 3603 1 5 . 1 1 130 130 VAL H H 130 8.381 8.381 7.822 0.559 18681 3604 1 5 . 1 1 131 131 PHE N N 131 117.227 117.227 120.572 -3.345 18681 3605 1 5 . 1 1 131 131 PHE HA H 131 4.567 4.567 4.386 0.181 18681 3606 1 5 . 1 1 131 131 PHE CA C 131 57.840 57.840 60.061 -2.221 18681 3607 1 5 . 1 1 131 131 PHE CB C 131 39.029 39.029 39.304 -0.275 18681 3608 1 5 . 1 1 131 131 PHE H H 131 7.638 7.638 7.797 -0.159 18681 3609 1 5 . 1 1 132 132 GLY N N 132 106.811 106.811 105.559 1.252 18681 3610 1 5 . 1 1 132 132 GLY CA C 132 43.921 43.921 45.099 -1.177 18681 3611 1 5 . 1 1 132 132 GLY H H 132 7.433 7.433 7.909 -0.476 18681 3612 1 5 . 1 1 133 133 GLU N N 133 119.340 119.340 121.996 -2.656 18681 3613 1 5 . 1 1 133 133 GLU HA H 133 4.082 4.082 4.459 -0.377 18681 3614 1 5 . 1 1 133 133 GLU CA C 133 56.504 56.504 55.970 0.534 18681 3615 1 5 . 1 1 133 133 GLU CB C 133 30.184 30.184 29.451 0.733 18681 3616 1 5 . 1 1 133 133 GLU H H 133 8.278 8.278 8.507 -0.229 18681 3617 1 5 . 1 1 134 134 LEU N N 134 122.134 122.134 126.557 -4.423 18681 3618 1 5 . 1 1 134 134 LEU HA H 134 4.405 4.405 4.724 -0.319 18681 3619 1 5 . 1 1 134 134 LEU CA C 134 54.169 54.169 54.176 -0.007 18681 3620 1 5 . 1 1 134 134 LEU CB C 134 43.997 43.997 43.913 0.083 18681 3621 1 5 . 1 1 134 134 LEU H H 134 8.410 8.410 8.076 0.334 18681 3622 1 5 . 1 1 135 135 THR N N 135 112.032 112.032 115.567 -3.535 18681 3623 1 5 . 1 1 135 135 THR HA H 135 4.220 4.220 4.514 -0.294 18681 3624 1 5 . 1 1 135 135 THR CA C 135 60.449 60.449 60.122 0.327 18681 3625 1 5 . 1 1 135 135 THR CB C 135 70.386 70.386 71.217 -0.831 18681 3626 1 5 . 1 1 135 135 THR H H 135 8.192 8.192 8.016 0.176 18681 3627 1 5 . 1 1 136 136 ASP N N 136 121.429 121.429 121.089 0.340 18681 3628 1 5 . 1 1 136 136 ASP HA H 136 4.191 4.191 4.381 -0.190 18681 3629 1 5 . 1 1 136 136 ASP CA C 136 57.415 57.415 57.465 -0.049 18681 3630 1 5 . 1 1 136 136 ASP CB C 136 40.518 40.518 41.010 -0.492 18681 3631 1 5 . 1 1 136 136 ASP H H 136 8.793 8.793 8.703 0.090 18681 3632 1 5 . 1 1 137 137 GLU N N 137 117.727 117.727 119.269 -1.542 18681 3633 1 5 . 1 1 137 137 GLU HA H 137 3.670 3.670 3.959 -0.289 18681 3634 1 5 . 1 1 137 137 GLU CA C 137 59.503 59.503 59.327 0.176 18681 3635 1 5 . 1 1 137 137 GLU CB C 137 29.175 29.175 29.506 -0.331 18681 3636 1 5 . 1 1 137 137 GLU H H 137 8.427 8.427 8.094 0.333 18681 3637 1 5 . 1 1 138 138 ASN N N 138 118.528 118.528 117.925 0.603 18681 3638 1 5 . 1 1 138 138 ASN HA H 138 4.488 4.488 4.454 0.034 18681 3639 1 5 . 1 1 138 138 ASN CA C 138 55.536 55.536 55.894 -0.358 18681 3640 1 5 . 1 1 138 138 ASN CB C 138 37.903 37.903 38.072 -0.169 18681 3641 1 5 . 1 1 138 138 ASN H H 138 7.504 7.504 7.714 -0.210 18681 3642 1 5 . 1 1 139 139 VAL N N 139 122.269 122.269 120.600 1.669 18681 3643 1 5 . 1 1 139 139 VAL HA H 139 3.383 3.383 3.645 -0.262 18681 3644 1 5 . 1 1 139 139 VAL CA C 139 67.168 67.168 66.971 0.197 18681 3645 1 5 . 1 1 139 139 VAL CB C 139 31.765 31.765 31.240 0.525 18681 3646 1 5 . 1 1 139 139 VAL H H 139 8.249 8.249 8.390 -0.141 18681 3647 1 5 . 1 1 140 140 LYS HA H 140 3.947 3.947 3.955 -0.008 18681 3648 1 5 . 1 1 140 140 LYS CA C 140 59.691 59.691 59.474 0.217 18681 3649 1 5 . 1 1 140 140 LYS CB C 140 32.044 32.044 31.995 0.049 18681 3650 1 5 . 1 1 140 140 LYS H H 140 7.994 7.994 8.162 -0.168 18681 3651 1 5 . 1 1 141 141 HIS N N 141 117.389 117.389 119.952 -2.563 18681 3652 1 5 . 1 1 141 141 HIS HA H 141 4.296 4.296 4.227 0.069 18681 3653 1 5 . 1 1 141 141 HIS CA C 141 57.657 57.657 60.442 -2.785 18681 3654 1 5 . 1 1 141 141 HIS CB C 141 28.500 28.500 30.224 -1.724 18681 3655 1 5 . 1 1 141 141 HIS H H 141 8.491 8.491 8.110 0.381 18681 3656 1 5 . 1 1 142 142 ARG HA H 142 3.728 3.728 4.104 -0.376 18681 3657 1 5 . 1 1 142 142 ARG CA C 142 61.356 61.356 59.375 1.981 18681 3658 1 5 . 1 1 142 142 ARG H H 142 8.529 8.529 8.100 0.430 18681 3659 1 5 . 1 1 143 143 LYS N N 143 117.710 117.710 120.539 -2.829 18681 3660 1 5 . 1 1 143 143 LYS HA H 143 4.050 4.050 3.767 0.283 18681 3661 1 5 . 1 1 143 143 LYS CA C 143 59.368 59.368 59.157 0.211 18681 3662 1 5 . 1 1 143 143 LYS CB C 143 32.794 32.794 32.235 0.559 18681 3663 1 5 . 1 1 143 143 LYS H H 143 7.664 7.664 7.646 0.018 18681 3664 1 5 . 1 1 144 144 TYR HA H 144 4.275 4.275 3.876 0.399 18681 3665 1 5 . 1 1 144 144 TYR CA C 144 62.445 62.445 61.616 0.829 18681 3666 1 5 . 1 1 144 144 TYR CB C 144 39.542 39.542 38.414 1.128 18681 3667 1 5 . 1 1 144 144 TYR H H 144 8.269 8.269 8.362 -0.093 18681 3668 1 5 . 1 1 145 145 ALA N N 145 118.744 118.744 120.848 -2.104 18681 3669 1 5 . 1 1 145 145 ALA HA H 145 3.667 3.667 3.717 -0.050 18681 3670 1 5 . 1 1 145 145 ALA CA C 145 54.777 54.777 55.080 -0.303 18681 3671 1 5 . 1 1 145 145 ALA CB C 145 18.761 18.761 18.111 0.650 18681 3672 1 5 . 1 1 145 145 ALA H H 145 8.825 8.825 8.166 0.659 18681 3673 1 5 . 1 1 146 146 ARG N N 146 116.092 116.092 119.836 -3.744 18681 3674 1 5 . 1 1 146 146 ARG HA H 146 3.865 3.865 4.062 -0.197 18681 3675 1 5 . 1 1 146 146 ARG CA C 146 59.666 59.666 59.891 -0.224 18681 3676 1 5 . 1 1 146 146 ARG CB C 146 30.400 30.400 30.006 0.394 18681 3677 1 5 . 1 1 146 146 ARG H H 146 8.024 8.024 8.076 -0.052 18681 3678 1 5 . 1 1 147 147 TRP N N 147 119.666 119.666 118.934 0.732 18681 3679 1 5 . 1 1 147 147 TRP HA H 147 4.224 4.224 4.413 -0.189 18681 3680 1 5 . 1 1 147 147 TRP CA C 147 60.996 60.996 58.600 2.396 18681 3681 1 5 . 1 1 147 147 TRP CB C 147 28.593 28.593 28.481 0.112 18681 3682 1 5 . 1 1 147 147 TRP H H 147 8.014 8.014 7.819 0.195 18681 3683 1 5 . 1 1 148 148 LYS N N 148 118.775 118.775 119.363 -0.588 18681 3684 1 5 . 1 1 148 148 LYS HA H 148 3.212 3.212 3.686 -0.474 18681 3685 1 5 . 1 1 148 148 LYS CA C 148 58.399 58.399 58.749 -0.350 18681 3686 1 5 . 1 1 148 148 LYS CB C 148 30.846 30.846 31.360 -0.513 18681 3687 1 5 . 1 1 148 148 LYS H H 148 8.619 8.619 7.938 0.681 18681 3688 1 5 . 1 1 149 149 ALA HA H 149 3.889 3.889 3.806 0.083 18681 3689 1 5 . 1 1 149 149 ALA CA C 149 55.906 55.906 55.470 0.436 18681 3690 1 5 . 1 1 149 149 ALA CB C 149 18.443 18.443 18.207 0.236 18681 3691 1 5 . 1 1 149 149 ALA H H 149 7.813 7.813 8.475 -0.662 18681 3692 1 5 . 1 1 150 150 THR N N 150 112.174 112.174 116.584 -4.410 18681 3693 1 5 . 1 1 150 150 THR HA H 150 3.721 3.721 4.218 -0.497 18681 3694 1 5 . 1 1 150 150 THR CA C 150 66.282 66.282 66.520 -0.238 18681 3695 1 5 . 1 1 150 150 THR CB C 150 68.853 68.853 68.757 0.095 18681 3696 1 5 . 1 1 150 150 THR H H 150 7.232 7.232 7.879 -0.647 18681 3697 1 5 . 1 1 151 151 TYR N N 151 123.353 123.353 123.960 -0.607 18681 3698 1 5 . 1 1 151 151 TYR HA H 151 4.005 4.005 4.048 -0.043 18681 3699 1 5 . 1 1 151 151 TYR CA C 151 60.334 60.334 62.571 -2.237 18681 3700 1 5 . 1 1 151 151 TYR CB C 151 38.246 38.246 38.255 -0.009 18681 3701 1 5 . 1 1 151 151 TYR H H 151 8.513 8.513 8.420 0.093 18681 3702 1 5 . 1 1 152 152 ILE N N 152 119.933 119.933 118.703 1.230 18681 3703 1 5 . 1 1 152 152 ILE HA H 152 2.789 2.789 3.598 -0.809 18681 3704 1 5 . 1 1 152 152 ILE CA C 152 65.885 65.885 65.377 0.508 18681 3705 1 5 . 1 1 152 152 ILE CB C 152 38.194 38.194 37.850 0.344 18681 3706 1 5 . 1 1 152 152 ILE H H 152 8.860 8.860 8.307 0.552 18681 3707 1 5 . 1 1 153 153 HIS N N 153 117.221 117.221 119.687 -2.466 18681 3708 1 5 . 1 1 153 153 HIS HA H 153 3.957 3.957 4.035 -0.078 18681 3709 1 5 . 1 1 153 153 HIS CA C 153 60.290 60.290 59.758 0.532 18681 3710 1 5 . 1 1 153 153 HIS CB C 153 30.363 30.363 30.178 0.185 18681 3711 1 5 . 1 1 153 153 HIS H H 153 7.757 7.757 8.057 -0.300 18681 3712 1 5 . 1 1 154 154 ASN N N 154 117.429 117.429 117.244 0.185 18681 3713 1 5 . 1 1 154 154 ASN HA H 154 4.124 4.124 4.189 -0.065 18681 3714 1 5 . 1 1 154 154 ASN CA C 154 55.977 55.977 55.747 0.230 18681 3715 1 5 . 1 1 154 154 ASN CB C 154 37.579 37.579 38.520 -0.942 18681 3716 1 5 . 1 1 154 154 ASN H H 154 8.355 8.355 8.403 -0.048 18681 3717 1 5 . 1 1 155 155 CYS N N 155 118.306 118.306 119.355 -1.049 18681 3718 1 5 . 1 1 155 155 CYS HA H 155 3.881 3.881 3.910 -0.029 18681 3719 1 5 . 1 1 155 155 CYS CA C 155 64.039 64.039 63.016 1.023 18681 3720 1 5 . 1 1 155 155 CYS CB C 155 26.124 26.124 26.951 -0.827 18681 3721 1 5 . 1 1 155 155 CYS H H 155 8.020 8.020 7.786 0.234 18681 3722 1 5 . 1 1 156 156 LEU N N 156 118.448 118.448 122.217 -3.769 18681 3723 1 5 . 1 1 156 156 LEU HA H 156 3.944 3.944 3.946 -0.002 18681 3724 1 5 . 1 1 156 156 LEU CA C 156 57.844 57.844 57.534 0.310 18681 3725 1 5 . 1 1 156 156 LEU CB C 156 40.196 40.196 41.823 -1.627 18681 3726 1 5 . 1 1 156 156 LEU H H 156 8.139 8.139 8.170 -0.031 18681 3727 1 5 . 1 1 157 157 LYS N N 157 120.180 120.180 119.371 0.809 18681 3728 1 5 . 1 1 157 157 LYS HA H 157 3.896 3.896 3.978 -0.082 18681 3729 1 5 . 1 1 157 157 LYS CA C 157 58.474 58.474 58.934 -0.460 18681 3730 1 5 . 1 1 157 157 LYS CB C 157 31.852 31.852 32.189 -0.337 18681 3731 1 5 . 1 1 157 157 LYS H H 157 7.912 7.912 7.698 0.214 18681 3732 1 5 . 1 1 158 158 ASN N N 158 115.220 115.220 115.121 0.099 18681 3733 1 5 . 1 1 158 158 ASN HA H 158 4.730 4.730 4.647 0.083 18681 3734 1 5 . 1 1 158 158 ASN CB C 158 39.411 39.411 39.158 0.253 18681 3735 1 5 . 1 1 158 158 ASN H H 158 7.422 7.422 7.956 -0.534 18681 3736 1 5 . 1 1 159 159 GLY N N 159 108.815 108.815 107.558 1.257 18681 3737 1 5 . 1 1 159 159 GLY CA C 159 46.296 46.296 45.067 1.229 18681 3738 1 5 . 1 1 159 159 GLY H H 159 7.752 7.752 7.419 0.333 18681 3739 1 5 . 1 1 160 160 GLU N N 160 119.601 119.601 120.145 -0.544 18681 3740 1 5 . 1 1 160 160 GLU HA H 160 4.421 4.421 4.667 -0.246 18681 3741 1 5 . 1 1 160 160 GLU CA C 160 54.102 54.102 54.518 -0.416 18681 3742 1 5 . 1 1 160 160 GLU CB C 160 31.969 31.969 32.522 -0.553 18681 3743 1 5 . 1 1 160 160 GLU H H 160 8.174 8.174 8.360 -0.186 18681 3744 1 5 . 1 1 161 161 THR N N 161 120.600 120.600 119.676 0.924 18681 3745 1 5 . 1 1 161 161 THR HA H 161 4.341 4.341 4.390 -0.049 18681 3746 1 5 . 1 1 161 161 THR CB C 161 69.624 69.624 68.858 0.766 18681 3747 1 5 . 1 1 161 161 THR H H 161 8.714 8.714 8.277 0.437 18681 3748 1 5 . 1 1 162 162 PRO HA H 162 4.277 4.277 4.464 -0.187 18681 3749 1 5 . 1 1 162 162 PRO CA C 162 61.790 61.790 62.400 -0.610 18681 3750 1 5 . 1 1 162 162 PRO CB C 162 31.178 31.178 32.258 -1.080 18681 3751 1 6 . 1 1 2 2 ALA N N 2 125.894 125.894 124.214 1.680 18681 3752 1 6 . 1 1 2 2 ALA HA H 2 4.192 4.192 4.681 -0.489 18681 3753 1 6 . 1 1 2 2 ALA CA C 2 52.096 52.096 52.049 0.047 18681 3754 1 6 . 1 1 2 2 ALA CB C 2 19.072 19.072 20.660 -1.588 18681 3755 1 6 . 1 1 2 2 ALA H H 2 8.413 8.413 8.296 0.117 18681 3756 1 6 . 1 1 3 3 ALA N N 3 123.543 123.543 124.415 -0.872 18681 3757 1 6 . 1 1 3 3 ALA HA H 3 4.226 4.226 4.787 -0.561 18681 3758 1 6 . 1 1 3 3 ALA CA C 3 51.943 51.943 51.870 0.073 18681 3759 1 6 . 1 1 3 3 ALA CB C 3 18.992 18.992 20.610 -1.618 18681 3760 1 6 . 1 1 3 3 ALA H H 3 8.233 8.233 8.253 -0.020 18681 3761 1 6 . 1 1 4 4 LEU N N 4 121.641 121.641 122.793 -1.152 18681 3762 1 6 . 1 1 4 4 LEU HA H 4 4.284 4.284 4.424 -0.140 18681 3763 1 6 . 1 1 4 4 LEU CA C 4 53.885 53.885 54.275 -0.390 18681 3764 1 6 . 1 1 4 4 LEU CB C 4 42.307 42.307 42.613 -0.306 18681 3765 1 6 . 1 1 4 4 LEU H H 4 8.114 8.114 8.364 -0.250 18681 3766 1 6 . 1 1 5 5 ALA N N 5 128.329 128.329 124.445 3.884 18681 3767 1 6 . 1 1 5 5 ALA HA H 5 4.453 4.453 4.505 -0.052 18681 3768 1 6 . 1 1 5 5 ALA CA C 5 50.164 50.164 50.367 -0.203 18681 3769 1 6 . 1 1 5 5 ALA CB C 5 17.687 17.687 18.368 -0.681 18681 3770 1 6 . 1 1 5 5 ALA H H 5 8.623 8.623 8.043 0.580 18681 3771 1 6 . 1 1 6 6 PRO HA H 6 4.274 4.274 4.436 -0.162 18681 3772 1 6 . 1 1 6 6 PRO CA C 6 62.403 62.403 62.452 -0.049 18681 3773 1 6 . 1 1 6 6 PRO CB C 6 32.105 32.105 32.063 0.042 18681 3774 1 6 . 1 1 7 7 LEU N N 7 122.228 122.228 123.032 -0.804 18681 3775 1 6 . 1 1 7 7 LEU HA H 7 4.324 4.324 4.614 -0.290 18681 3776 1 6 . 1 1 7 7 LEU CA C 7 52.914 52.914 51.701 1.213 18681 3777 1 6 . 1 1 7 7 LEU CB C 7 40.952 40.952 40.641 0.311 18681 3778 1 6 . 1 1 7 7 LEU H H 7 8.264 8.264 8.139 0.125 18681 3779 1 6 . 1 1 8 8 PRO HA H 8 4.745 4.745 4.566 0.179 18681 3780 1 6 . 1 1 9 9 PRO HA H 9 4.200 4.200 4.274 -0.074 18681 3781 1 6 . 1 1 9 9 PRO CA C 9 62.648 62.648 63.077 -0.429 18681 3782 1 6 . 1 1 9 9 PRO CB C 9 31.646 31.646 32.135 -0.489 18681 3783 1 6 . 1 1 10 10 LEU N N 10 125.824 125.824 125.470 0.354 18681 3784 1 6 . 1 1 10 10 LEU HA H 10 3.742 3.742 4.259 -0.517 18681 3785 1 6 . 1 1 10 10 LEU CA C 10 53.064 53.064 53.825 -0.761 18681 3786 1 6 . 1 1 10 10 LEU CB C 10 42.980 42.980 42.290 0.690 18681 3787 1 6 . 1 1 10 10 LEU H H 10 8.172 8.172 8.399 -0.227 18681 3788 1 6 . 1 1 11 11 PRO HA H 11 4.175 4.175 4.390 -0.215 18681 3789 1 6 . 1 1 11 11 PRO CA C 11 62.124 62.124 62.458 -0.334 18681 3790 1 6 . 1 1 11 11 PRO CB C 11 32.442 32.442 32.485 -0.043 18681 3791 1 6 . 1 1 12 12 ALA N N 12 128.292 128.292 126.211 2.081 18681 3792 1 6 . 1 1 12 12 ALA HA H 12 3.920 3.920 3.998 -0.078 18681 3793 1 6 . 1 1 12 12 ALA CA C 12 55.057 55.057 54.585 0.472 18681 3794 1 6 . 1 1 12 12 ALA CB C 12 17.918 17.918 18.909 -0.991 18681 3795 1 6 . 1 1 12 12 ALA H H 12 8.851 8.851 8.494 0.357 18681 3796 1 6 . 1 1 13 13 GLN N N 13 115.075 115.075 117.918 -2.843 18681 3797 1 6 . 1 1 13 13 GLN HA H 13 4.024 4.024 3.898 0.126 18681 3798 1 6 . 1 1 13 13 GLN CA C 13 58.436 58.436 57.946 0.490 18681 3799 1 6 . 1 1 13 13 GLN CB C 13 28.058 28.058 28.210 -0.152 18681 3800 1 6 . 1 1 13 13 GLN H H 13 9.448 9.448 8.216 1.232 18681 3801 1 6 . 1 1 14 14 PHE N N 14 116.832 116.832 114.556 2.276 18681 3802 1 6 . 1 1 14 14 PHE HA H 14 4.865 4.865 4.679 0.186 18681 3803 1 6 . 1 1 14 14 PHE CA C 14 52.224 52.224 56.589 -4.365 18681 3804 1 6 . 1 1 14 14 PHE CB C 14 36.841 36.841 37.726 -0.885 18681 3805 1 6 . 1 1 14 14 PHE H H 14 7.970 7.970 7.323 0.647 18681 3806 1 6 . 1 1 15 15 LYS N N 15 120.886 120.886 120.420 0.466 18681 3807 1 6 . 1 1 15 15 LYS HA H 15 3.852 3.852 4.044 -0.192 18681 3808 1 6 . 1 1 15 15 LYS CA C 15 60.248 60.248 59.182 1.066 18681 3809 1 6 . 1 1 15 15 LYS CB C 15 32.137 32.137 32.411 -0.274 18681 3810 1 6 . 1 1 15 15 LYS H H 15 7.358 7.358 7.335 0.023 18681 3811 1 6 . 1 1 16 16 SER N N 16 111.755 111.755 114.635 -2.880 18681 3812 1 6 . 1 1 16 16 SER HA H 16 4.321 4.321 4.305 0.016 18681 3813 1 6 . 1 1 16 16 SER CA C 16 61.099 61.099 61.119 -0.020 18681 3814 1 6 . 1 1 16 16 SER CB C 16 62.700 62.700 62.895 -0.195 18681 3815 1 6 . 1 1 16 16 SER H H 16 8.733 8.733 8.726 0.007 18681 3816 1 6 . 1 1 17 17 ILE N N 17 113.676 113.676 113.727 -0.051 18681 3817 1 6 . 1 1 17 17 ILE HA H 17 6.002 6.002 5.129 0.873 18681 3818 1 6 . 1 1 17 17 ILE CA C 17 60.675 60.675 60.712 -0.037 18681 3819 1 6 . 1 1 17 17 ILE CB C 17 37.907 37.907 36.817 1.090 18681 3820 1 6 . 1 1 17 17 ILE H H 17 7.692 7.692 7.317 0.375 18681 3821 1 6 . 1 1 18 18 GLN N N 18 122.213 122.213 122.867 -0.654 18681 3822 1 6 . 1 1 18 18 GLN HA H 18 3.875 3.875 4.046 -0.171 18681 3823 1 6 . 1 1 18 18 GLN CA C 18 59.886 59.886 59.767 0.119 18681 3824 1 6 . 1 1 18 18 GLN CB C 18 29.027 29.027 28.969 0.058 18681 3825 1 6 . 1 1 18 18 GLN H H 18 7.810 7.810 8.401 -0.591 18681 3826 1 6 . 1 1 19 19 HIS N N 19 118.333 118.333 117.410 0.923 18681 3827 1 6 . 1 1 19 19 HIS HA H 19 4.547 4.547 4.379 0.168 18681 3828 1 6 . 1 1 19 19 HIS CA C 19 58.358 58.358 59.535 -1.177 18681 3829 1 6 . 1 1 19 19 HIS CB C 19 30.164 30.164 29.285 0.878 18681 3830 1 6 . 1 1 19 19 HIS H H 19 9.436 9.436 8.678 0.758 18681 3831 1 6 . 1 1 20 20 HIS N N 20 124.401 124.401 119.131 5.270 18681 3832 1 6 . 1 1 20 20 HIS HA H 20 3.958 3.958 4.321 -0.363 18681 3833 1 6 . 1 1 20 20 HIS CA C 20 62.329 62.329 60.677 1.652 18681 3834 1 6 . 1 1 20 20 HIS CB C 20 30.170 30.170 29.915 0.256 18681 3835 1 6 . 1 1 20 20 HIS H H 20 8.456 8.456 8.259 0.197 18681 3836 1 6 . 1 1 21 21 LEU N N 21 118.826 118.826 117.057 1.769 18681 3837 1 6 . 1 1 21 21 LEU HA H 21 4.096 4.096 4.172 -0.076 18681 3838 1 6 . 1 1 21 21 LEU CA C 21 57.730 57.730 58.702 -0.972 18681 3839 1 6 . 1 1 21 21 LEU CB C 21 41.415 41.415 41.078 0.337 18681 3840 1 6 . 1 1 21 21 LEU H H 21 8.028 8.028 7.980 0.048 18681 3841 1 6 . 1 1 22 22 ARG N N 22 121.674 121.674 120.282 1.392 18681 3842 1 6 . 1 1 22 22 ARG HA H 22 4.227 4.227 3.968 0.259 18681 3843 1 6 . 1 1 22 22 ARG CA C 22 59.535 59.535 59.942 -0.407 18681 3844 1 6 . 1 1 22 22 ARG CB C 22 29.809 29.809 30.112 -0.303 18681 3845 1 6 . 1 1 22 22 ARG H H 22 8.103 8.103 8.156 -0.053 18681 3846 1 6 . 1 1 23 23 THR N N 23 116.419 116.419 116.482 -0.063 18681 3847 1 6 . 1 1 23 23 THR HA H 23 4.113 4.113 3.929 0.184 18681 3848 1 6 . 1 1 23 23 THR CA C 23 67.072 67.072 67.052 0.020 18681 3849 1 6 . 1 1 23 23 THR CB C 23 68.245 68.245 68.630 -0.385 18681 3850 1 6 . 1 1 23 23 THR H H 23 8.208 8.208 8.271 -0.063 18681 3851 1 6 . 1 1 24 24 ALA N N 24 125.741 125.741 124.616 1.125 18681 3852 1 6 . 1 1 24 24 ALA HA H 24 3.928 3.928 4.094 -0.166 18681 3853 1 6 . 1 1 24 24 ALA CA C 24 56.675 56.675 55.238 1.437 18681 3854 1 6 . 1 1 24 24 ALA CB C 24 19.011 19.011 18.185 0.826 18681 3855 1 6 . 1 1 24 24 ALA H H 24 8.149 8.149 8.072 0.077 18681 3856 1 6 . 1 1 25 25 GLN N N 25 115.916 115.916 117.506 -1.590 18681 3857 1 6 . 1 1 25 25 GLN HA H 25 4.375 4.375 4.235 0.140 18681 3858 1 6 . 1 1 25 25 GLN CA C 25 58.060 58.060 58.825 -0.765 18681 3859 1 6 . 1 1 25 25 GLN CB C 25 28.423 28.423 28.418 0.006 18681 3860 1 6 . 1 1 25 25 GLN H H 25 7.785 7.785 8.166 -0.381 18681 3861 1 6 . 1 1 26 26 GLU N N 26 117.821 117.821 118.252 -0.431 18681 3862 1 6 . 1 1 26 26 GLU HA H 26 4.089 4.089 4.175 -0.086 18681 3863 1 6 . 1 1 26 26 GLU CA C 26 58.165 58.165 58.268 -0.103 18681 3864 1 6 . 1 1 26 26 GLU CB C 26 29.323 29.323 29.611 -0.288 18681 3865 1 6 . 1 1 26 26 GLU H H 26 8.457 8.457 7.660 0.797 18681 3866 1 6 . 1 1 27 27 HIS N N 27 115.762 115.762 119.026 -3.264 18681 3867 1 6 . 1 1 27 27 HIS HA H 27 4.380 4.380 4.454 -0.074 18681 3868 1 6 . 1 1 27 27 HIS CA C 27 59.076 59.076 58.886 0.190 18681 3869 1 6 . 1 1 27 27 HIS CB C 27 29.049 29.049 29.807 -0.758 18681 3870 1 6 . 1 1 27 27 HIS H H 27 7.962 7.962 8.803 -0.841 18681 3871 1 6 . 1 1 28 28 ASP N N 28 123.640 123.640 119.606 4.034 18681 3872 1 6 . 1 1 28 28 ASP HA H 28 4.332 4.332 4.485 -0.153 18681 3873 1 6 . 1 1 28 28 ASP CA C 28 58.935 58.935 57.634 1.301 18681 3874 1 6 . 1 1 28 28 ASP CB C 28 40.355 40.355 40.636 -0.281 18681 3875 1 6 . 1 1 28 28 ASP H H 28 7.593 7.593 8.672 -1.079 18681 3876 1 6 . 1 1 29 29 LYS N N 29 113.398 113.398 115.885 -2.487 18681 3877 1 6 . 1 1 29 29 LYS HA H 29 4.395 4.395 4.392 0.003 18681 3878 1 6 . 1 1 29 29 LYS CA C 29 56.654 56.654 57.732 -1.078 18681 3879 1 6 . 1 1 29 29 LYS CB C 29 32.708 32.708 32.900 -0.192 18681 3880 1 6 . 1 1 29 29 LYS H H 29 8.013 8.013 7.462 0.551 18681 3881 1 6 . 1 1 30 30 ARG N N 30 117.542 117.542 120.421 -2.879 18681 3882 1 6 . 1 1 30 30 ARG HA H 30 4.244 4.244 4.268 -0.024 18681 3883 1 6 . 1 1 30 30 ARG CA C 30 57.994 57.994 58.614 -0.620 18681 3884 1 6 . 1 1 30 30 ARG CB C 30 32.658 32.658 31.720 0.938 18681 3885 1 6 . 1 1 30 30 ARG H H 30 7.873 7.873 7.683 0.190 18681 3886 1 6 . 1 1 31 31 ASP N N 31 112.265 112.265 117.252 -4.987 18681 3887 1 6 . 1 1 31 31 ASP HA H 31 4.866 4.866 5.224 -0.358 18681 3888 1 6 . 1 1 31 31 ASP CA C 31 52.200 52.200 52.359 -0.160 18681 3889 1 6 . 1 1 31 31 ASP CB C 31 40.932 40.932 43.138 -2.206 18681 3890 1 6 . 1 1 31 31 ASP H H 31 8.808 8.808 8.401 0.407 18681 3891 1 6 . 1 1 32 32 PRO HA H 32 4.411 4.411 4.251 0.160 18681 3892 1 6 . 1 1 32 32 PRO CA C 32 63.963 63.963 65.657 -1.694 18681 3893 1 6 . 1 1 32 32 PRO CB C 32 32.908 32.908 32.028 0.880 18681 3894 1 6 . 1 1 33 33 VAL N N 33 117.414 117.414 116.778 0.636 18681 3895 1 6 . 1 1 33 33 VAL HA H 33 3.480 3.480 3.704 -0.224 18681 3896 1 6 . 1 1 33 33 VAL CA C 33 66.518 66.518 66.307 0.211 18681 3897 1 6 . 1 1 33 33 VAL CB C 33 31.120 31.120 31.001 0.119 18681 3898 1 6 . 1 1 33 33 VAL H H 33 7.656 7.656 8.143 -0.487 18681 3899 1 6 . 1 1 34 34 VAL N N 34 120.456 120.456 120.021 0.435 18681 3900 1 6 . 1 1 34 34 VAL HA H 34 3.561 3.561 3.660 -0.099 18681 3901 1 6 . 1 1 34 34 VAL CA C 34 66.828 66.828 66.518 0.310 18681 3902 1 6 . 1 1 34 34 VAL CB C 34 32.442 32.442 30.588 1.854 18681 3903 1 6 . 1 1 34 34 VAL H H 34 7.234 7.234 7.879 -0.645 18681 3904 1 6 . 1 1 35 35 ALA N N 35 121.869 121.869 123.054 -1.185 18681 3905 1 6 . 1 1 35 35 ALA HA H 35 3.909 3.909 4.034 -0.125 18681 3906 1 6 . 1 1 35 35 ALA CA C 35 56.024 56.024 55.394 0.630 18681 3907 1 6 . 1 1 35 35 ALA CB C 35 19.264 19.264 18.409 0.855 18681 3908 1 6 . 1 1 35 35 ALA H H 35 8.096 8.096 7.980 0.116 18681 3909 1 6 . 1 1 36 36 TYR N N 36 117.995 117.995 120.632 -2.637 18681 3910 1 6 . 1 1 36 36 TYR HA H 36 3.826 3.826 3.924 -0.098 18681 3911 1 6 . 1 1 36 36 TYR CA C 36 62.044 62.044 62.780 -0.736 18681 3912 1 6 . 1 1 36 36 TYR CB C 36 38.136 38.136 38.312 -0.176 18681 3913 1 6 . 1 1 36 36 TYR H H 36 8.271 8.271 8.163 0.108 18681 3914 1 6 . 1 1 37 37 TYR N N 37 116.773 116.773 117.126 -0.353 18681 3915 1 6 . 1 1 37 37 TYR HA H 37 4.046 4.046 4.253 -0.207 18681 3916 1 6 . 1 1 37 37 TYR CA C 37 63.831 63.831 62.314 1.517 18681 3917 1 6 . 1 1 37 37 TYR CB C 37 37.749 37.749 38.239 -0.490 18681 3918 1 6 . 1 1 37 37 TYR H H 37 8.213 8.213 8.021 0.192 18681 3919 1 6 . 1 1 38 38 CYS N N 38 116.194 116.194 117.951 -1.757 18681 3920 1 6 . 1 1 38 38 CYS HA H 38 4.370 4.370 4.116 0.254 18681 3921 1 6 . 1 1 38 38 CYS CA C 38 64.389 64.389 63.863 0.526 18681 3922 1 6 . 1 1 38 38 CYS CB C 38 27.945 27.945 26.631 1.314 18681 3923 1 6 . 1 1 38 38 CYS H H 38 8.695 8.695 8.804 -0.109 18681 3924 1 6 . 1 1 39 39 ARG N N 39 117.023 117.023 119.884 -2.861 18681 3925 1 6 . 1 1 39 39 ARG HA H 39 3.804 3.804 4.093 -0.289 18681 3926 1 6 . 1 1 39 39 ARG CA C 39 60.198 60.198 58.997 1.201 18681 3927 1 6 . 1 1 39 39 ARG H H 39 7.005 7.005 8.477 -1.472 18681 3928 1 6 . 1 1 40 40 LEU N N 40 123.317 123.317 121.705 1.612 18681 3929 1 6 . 1 1 40 40 LEU HA H 40 3.813 3.813 3.940 -0.127 18681 3930 1 6 . 1 1 40 40 LEU CA C 40 58.181 58.181 57.444 0.737 18681 3931 1 6 . 1 1 40 40 LEU CB C 40 42.085 42.085 41.214 0.871 18681 3932 1 6 . 1 1 40 40 LEU H H 40 8.326 8.326 7.674 0.652 18681 3933 1 6 . 1 1 41 41 TYR N N 41 118.320 118.320 120.245 -1.925 18681 3934 1 6 . 1 1 41 41 TYR HA H 41 3.732 3.732 4.377 -0.645 18681 3935 1 6 . 1 1 41 41 TYR CA C 41 61.418 61.418 61.258 0.160 18681 3936 1 6 . 1 1 41 41 TYR CB C 41 38.953 38.953 38.131 0.822 18681 3937 1 6 . 1 1 41 41 TYR H H 41 8.533 8.533 8.020 0.513 18681 3938 1 6 . 1 1 42 42 ALA N N 42 123.644 123.644 121.566 2.078 18681 3939 1 6 . 1 1 42 42 ALA HA H 42 3.482 3.482 3.796 -0.314 18681 3940 1 6 . 1 1 42 42 ALA CA C 42 55.157 55.157 55.009 0.148 18681 3941 1 6 . 1 1 42 42 ALA CB C 42 18.413 18.413 18.395 0.018 18681 3942 1 6 . 1 1 42 42 ALA H H 42 7.962 7.962 7.775 0.187 18681 3943 1 6 . 1 1 43 43 MET N N 43 117.932 117.932 118.306 -0.374 18681 3944 1 6 . 1 1 43 43 MET HA H 43 3.696 3.696 3.802 -0.106 18681 3945 1 6 . 1 1 43 43 MET CA C 43 58.675 58.675 59.844 -1.169 18681 3946 1 6 . 1 1 43 43 MET H H 43 8.433 8.433 7.985 0.448 18681 3947 1 6 . 1 1 44 44 GLN N N 44 116.738 116.738 118.316 -1.578 18681 3948 1 6 . 1 1 44 44 GLN HA H 44 3.773 3.773 3.867 -0.094 18681 3949 1 6 . 1 1 44 44 GLN CA C 44 58.924 58.924 59.061 -0.137 18681 3950 1 6 . 1 1 44 44 GLN CB C 44 27.921 27.921 28.407 -0.486 18681 3951 1 6 . 1 1 44 44 GLN H H 44 8.307 8.307 7.799 0.508 18681 3952 1 6 . 1 1 45 45 THR N N 45 116.249 116.249 114.157 2.092 18681 3953 1 6 . 1 1 45 45 THR HA H 45 3.479 3.479 3.841 -0.362 18681 3954 1 6 . 1 1 45 45 THR CA C 45 66.529 66.529 65.524 1.005 18681 3955 1 6 . 1 1 45 45 THR CB C 45 67.635 67.635 68.373 -0.738 18681 3956 1 6 . 1 1 45 45 THR H H 45 7.954 7.954 7.410 0.544 18681 3957 1 6 . 1 1 46 46 GLY N N 46 110.016 110.016 109.238 0.778 18681 3958 1 6 . 1 1 46 46 GLY CA C 46 46.653 46.653 47.278 -0.625 18681 3959 1 6 . 1 1 46 46 GLY H H 46 8.429 8.429 8.142 0.287 18681 3960 1 6 . 1 1 47 47 MET N N 47 118.040 118.040 119.104 -1.064 18681 3961 1 6 . 1 1 47 47 MET HA H 47 3.876 3.876 4.227 -0.351 18681 3962 1 6 . 1 1 47 47 MET CA C 47 58.136 58.136 58.101 0.035 18681 3963 1 6 . 1 1 47 47 MET CB C 47 32.445 32.445 32.240 0.205 18681 3964 1 6 . 1 1 47 47 MET H H 47 8.160 8.160 8.029 0.131 18681 3965 1 6 . 1 1 48 48 LYS N N 48 116.712 116.712 120.685 -3.973 18681 3966 1 6 . 1 1 48 48 LYS HA H 48 4.012 4.012 4.110 -0.098 18681 3967 1 6 . 1 1 48 48 LYS CA C 48 57.945 57.945 58.907 -0.962 18681 3968 1 6 . 1 1 48 48 LYS CB C 48 32.533 32.533 32.747 -0.214 18681 3969 1 6 . 1 1 48 48 LYS H H 48 6.958 6.958 7.584 -0.626 18681 3970 1 6 . 1 1 49 49 ILE N N 49 120.903 120.903 118.567 2.336 18681 3971 1 6 . 1 1 49 49 ILE HA H 49 3.718 3.718 3.813 -0.095 18681 3972 1 6 . 1 1 49 49 ILE CA C 49 64.863 64.863 63.874 0.989 18681 3973 1 6 . 1 1 49 49 ILE CB C 49 39.087 39.087 38.569 0.518 18681 3974 1 6 . 1 1 49 49 ILE H H 49 7.609 7.609 7.934 -0.325 18681 3975 1 6 . 1 1 50 50 ASP N N 50 115.959 115.959 116.432 -0.473 18681 3976 1 6 . 1 1 50 50 ASP HA H 50 4.488 4.488 4.897 -0.409 18681 3977 1 6 . 1 1 50 50 ASP CA C 50 55.393 55.393 53.135 2.258 18681 3978 1 6 . 1 1 50 50 ASP CB C 50 40.952 40.952 42.921 -1.969 18681 3979 1 6 . 1 1 50 50 ASP H H 50 8.214 8.214 7.988 0.226 18681 3980 1 6 . 1 1 51 51 SER N N 51 115.917 115.917 113.475 2.442 18681 3981 1 6 . 1 1 51 51 SER HA H 51 4.566 4.566 4.525 0.041 18681 3982 1 6 . 1 1 51 51 SER CA C 51 56.544 56.544 58.821 -2.277 18681 3983 1 6 . 1 1 51 51 SER CB C 51 64.126 64.126 63.860 0.266 18681 3984 1 6 . 1 1 51 51 SER H H 51 8.438 8.438 8.547 -0.109 18681 3985 1 6 . 1 1 52 52 LYS N N 52 122.213 122.213 121.940 0.273 18681 3986 1 6 . 1 1 52 52 LYS HA H 52 4.438 4.438 4.620 -0.182 18681 3987 1 6 . 1 1 52 52 LYS CB C 52 35.344 35.344 33.115 2.229 18681 3988 1 6 . 1 1 52 52 LYS H H 52 8.937 8.937 8.372 0.565 18681 3989 1 6 . 1 1 53 53 THR N N 53 122.291 122.291 120.856 1.435 18681 3990 1 6 . 1 1 53 53 THR HA H 53 4.273 4.273 4.784 -0.511 18681 3991 1 6 . 1 1 53 53 THR CA C 53 61.837 61.837 58.481 3.356 18681 3992 1 6 . 1 1 53 53 THR CB C 53 68.067 68.067 69.335 -1.268 18681 3993 1 6 . 1 1 53 53 THR H H 53 9.437 9.437 8.201 1.236 18681 3994 1 6 . 1 1 54 54 PRO HA H 54 4.050 4.050 4.112 -0.062 18681 3995 1 6 . 1 1 54 54 PRO CA C 54 66.870 66.870 65.736 1.134 18681 3996 1 6 . 1 1 54 54 PRO CB C 54 31.670 31.670 31.953 -0.283 18681 3997 1 6 . 1 1 55 55 GLU N N 55 116.532 116.532 118.597 -2.065 18681 3998 1 6 . 1 1 55 55 GLU HA H 55 4.024 4.024 4.203 -0.179 18681 3999 1 6 . 1 1 55 55 GLU CA C 55 59.870 59.870 59.063 0.807 18681 4000 1 6 . 1 1 55 55 GLU CB C 55 28.759 28.759 29.438 -0.678 18681 4001 1 6 . 1 1 55 55 GLU H H 55 9.352 9.352 8.409 0.943 18681 4002 1 6 . 1 1 56 56 CYS N N 56 119.066 119.066 118.761 0.305 18681 4003 1 6 . 1 1 56 56 CYS HA H 56 3.759 3.759 4.250 -0.491 18681 4004 1 6 . 1 1 56 56 CYS CA C 56 63.167 63.167 63.401 -0.234 18681 4005 1 6 . 1 1 56 56 CYS CB C 56 26.891 26.891 27.254 -0.363 18681 4006 1 6 . 1 1 56 56 CYS H H 56 7.126 7.126 8.352 -1.226 18681 4007 1 6 . 1 1 57 57 ARG N N 57 119.779 119.779 121.373 -1.594 18681 4008 1 6 . 1 1 57 57 ARG HA H 57 3.876 3.876 3.867 0.009 18681 4009 1 6 . 1 1 57 57 ARG CA C 57 60.025 60.025 60.037 -0.012 18681 4010 1 6 . 1 1 57 57 ARG H H 57 8.252 8.252 9.103 -0.851 18681 4011 1 6 . 1 1 58 58 LYS N N 58 119.155 119.155 118.446 0.709 18681 4012 1 6 . 1 1 58 58 LYS HA H 58 4.056 4.056 4.029 0.027 18681 4013 1 6 . 1 1 58 58 LYS CA C 58 59.205 59.205 59.583 -0.378 18681 4014 1 6 . 1 1 58 58 LYS CB C 58 32.127 32.127 32.230 -0.103 18681 4015 1 6 . 1 1 58 58 LYS H H 58 8.394 8.394 7.713 0.681 18681 4016 1 6 . 1 1 59 59 PHE N N 59 119.989 119.989 120.296 -0.307 18681 4017 1 6 . 1 1 59 59 PHE HA H 59 3.748 3.748 4.182 -0.434 18681 4018 1 6 . 1 1 59 59 PHE CA C 59 63.103 63.103 61.444 1.659 18681 4019 1 6 . 1 1 59 59 PHE CB C 59 39.644 39.644 39.148 0.496 18681 4020 1 6 . 1 1 59 59 PHE H H 59 7.720 7.720 8.078 -0.358 18681 4021 1 6 . 1 1 60 60 LEU N N 60 117.203 117.203 119.816 -2.613 18681 4022 1 6 . 1 1 60 60 LEU HA H 60 3.991 3.991 3.810 0.181 18681 4023 1 6 . 1 1 60 60 LEU CA C 60 57.969 57.969 58.064 -0.095 18681 4024 1 6 . 1 1 60 60 LEU CB C 60 41.187 41.187 41.599 -0.412 18681 4025 1 6 . 1 1 60 60 LEU H H 60 8.685 8.685 8.792 -0.107 18681 4026 1 6 . 1 1 61 61 SER N N 61 114.724 114.724 115.433 -0.709 18681 4027 1 6 . 1 1 61 61 SER HA H 61 4.188 4.188 4.082 0.106 18681 4028 1 6 . 1 1 61 61 SER CA C 61 61.650 61.650 61.648 0.002 18681 4029 1 6 . 1 1 61 61 SER CB C 61 62.589 62.589 62.327 0.262 18681 4030 1 6 . 1 1 61 61 SER H H 61 8.107 8.107 8.484 -0.377 18681 4031 1 6 . 1 1 62 62 LYS N N 62 120.164 120.164 121.997 -1.833 18681 4032 1 6 . 1 1 62 62 LYS HA H 62 4.147 4.147 3.965 0.182 18681 4033 1 6 . 1 1 62 62 LYS CA C 62 57.139 57.139 59.175 -2.036 18681 4034 1 6 . 1 1 62 62 LYS CB C 62 30.881 30.881 32.274 -1.393 18681 4035 1 6 . 1 1 62 62 LYS H H 62 7.541 7.541 7.839 -0.298 18681 4036 1 6 . 1 1 63 63 LEU N N 63 123.446 123.446 122.095 1.351 18681 4037 1 6 . 1 1 63 63 LEU HA H 63 3.926 3.926 3.882 0.044 18681 4038 1 6 . 1 1 63 63 LEU CA C 63 57.709 57.709 57.645 0.064 18681 4039 1 6 . 1 1 63 63 LEU CB C 63 41.222 41.222 41.549 -0.327 18681 4040 1 6 . 1 1 63 63 LEU H H 63 8.238 8.238 7.802 0.436 18681 4041 1 6 . 1 1 64 64 MET N N 64 120.864 120.864 117.619 3.245 18681 4042 1 6 . 1 1 64 64 MET HA H 64 4.143 4.143 4.051 0.092 18681 4043 1 6 . 1 1 64 64 MET CA C 64 58.644 58.644 57.154 1.490 18681 4044 1 6 . 1 1 64 64 MET CB C 64 31.625 31.625 31.436 0.189 18681 4045 1 6 . 1 1 64 64 MET H H 64 8.608 8.608 8.143 0.465 18681 4046 1 6 . 1 1 65 65 ASP N N 65 119.121 119.121 120.201 -1.080 18681 4047 1 6 . 1 1 65 65 ASP HA H 65 4.373 4.373 4.349 0.024 18681 4048 1 6 . 1 1 65 65 ASP CA C 65 57.390 57.390 57.395 -0.005 18681 4049 1 6 . 1 1 65 65 ASP CB C 65 39.956 39.956 40.238 -0.282 18681 4050 1 6 . 1 1 65 65 ASP H H 65 7.857 7.857 7.886 -0.029 18681 4051 1 6 . 1 1 66 66 GLN N N 66 119.748 119.748 119.654 0.094 18681 4052 1 6 . 1 1 66 66 GLN HA H 66 4.084 4.084 3.963 0.121 18681 4053 1 6 . 1 1 66 66 GLN CB C 66 28.222 28.222 28.756 -0.534 18681 4054 1 6 . 1 1 66 66 GLN H H 66 7.703 7.703 7.781 -0.078 18681 4055 1 6 . 1 1 67 67 LEU N N 67 120.349 120.349 120.538 -0.189 18681 4056 1 6 . 1 1 67 67 LEU HA H 67 3.890 3.890 3.858 0.032 18681 4057 1 6 . 1 1 67 67 LEU CA C 67 58.914 58.914 58.290 0.624 18681 4058 1 6 . 1 1 67 67 LEU H H 67 8.356 8.356 7.634 0.722 18681 4059 1 6 . 1 1 68 68 GLU N N 68 118.268 118.268 119.390 -1.122 18681 4060 1 6 . 1 1 68 68 GLU HA H 68 4.018 4.018 3.998 0.020 18681 4061 1 6 . 1 1 68 68 GLU CA C 68 59.174 59.174 58.924 0.250 18681 4062 1 6 . 1 1 68 68 GLU CB C 68 29.419 29.419 29.124 0.295 18681 4063 1 6 . 1 1 68 68 GLU H H 68 8.547 8.547 7.913 0.634 18681 4064 1 6 . 1 1 69 69 ALA N N 69 122.349 122.349 122.615 -0.266 18681 4065 1 6 . 1 1 69 69 ALA HA H 69 4.126 4.126 4.067 0.059 18681 4066 1 6 . 1 1 69 69 ALA CA C 69 54.937 54.937 55.192 -0.255 18681 4067 1 6 . 1 1 69 69 ALA CB C 69 18.147 18.147 18.114 0.033 18681 4068 1 6 . 1 1 69 69 ALA H H 69 7.853 7.853 8.287 -0.434 18681 4069 1 6 . 1 1 70 70 LEU N N 70 120.257 120.257 119.138 1.119 18681 4070 1 6 . 1 1 70 70 LEU HA H 70 4.016 4.016 3.874 0.142 18681 4071 1 6 . 1 1 70 70 LEU CA C 70 57.750 57.750 58.039 -0.289 18681 4072 1 6 . 1 1 70 70 LEU CB C 70 42.623 42.623 41.656 0.967 18681 4073 1 6 . 1 1 70 70 LEU H H 70 8.553 8.553 7.881 0.672 18681 4074 1 6 . 1 1 71 71 LYS HA H 71 3.431 3.431 3.818 -0.387 18681 4075 1 6 . 1 1 71 71 LYS CB C 71 32.132 32.132 32.325 -0.193 18681 4076 1 6 . 1 1 71 71 LYS H H 71 8.636 8.636 7.801 0.835 18681 4077 1 6 . 1 1 72 72 LYS N N 72 117.417 117.417 118.214 -0.797 18681 4078 1 6 . 1 1 72 72 LYS HA H 72 4.007 4.007 3.979 0.028 18681 4079 1 6 . 1 1 72 72 LYS CA C 72 58.936 58.936 59.026 -0.090 18681 4080 1 6 . 1 1 72 72 LYS H H 72 7.620 7.620 7.995 -0.375 18681 4081 1 6 . 1 1 73 73 GLN N N 73 119.180 119.180 117.953 1.227 18681 4082 1 6 . 1 1 73 73 GLN HA H 73 4.027 4.027 4.050 -0.023 18681 4083 1 6 . 1 1 73 73 GLN CA C 73 58.084 58.084 58.308 -0.224 18681 4084 1 6 . 1 1 73 73 GLN CB C 73 29.044 29.044 28.672 0.372 18681 4085 1 6 . 1 1 73 73 GLN H H 73 7.798 7.798 7.969 -0.171 18681 4086 1 6 . 1 1 74 74 LEU N N 74 118.230 118.230 116.524 1.706 18681 4087 1 6 . 1 1 74 74 LEU HA H 74 4.258 4.258 4.101 0.157 18681 4088 1 6 . 1 1 74 74 LEU CA C 74 55.050 55.050 55.957 -0.907 18681 4089 1 6 . 1 1 74 74 LEU CB C 74 42.380 42.380 42.557 -0.177 18681 4090 1 6 . 1 1 74 74 LEU H H 74 8.050 8.050 7.885 0.165 18681 4091 1 6 . 1 1 75 75 GLY N N 75 106.441 106.441 107.024 -0.583 18681 4092 1 6 . 1 1 75 75 GLY CA C 75 47.098 47.098 45.127 1.971 18681 4093 1 6 . 1 1 75 75 GLY H H 75 7.420 7.420 8.333 -0.913 18681 4094 1 6 . 1 1 76 76 ASP N N 76 121.520 121.520 125.782 -4.262 18681 4095 1 6 . 1 1 76 76 ASP HA H 76 4.533 4.533 4.851 -0.318 18681 4096 1 6 . 1 1 76 76 ASP CA C 76 53.148 53.148 53.128 0.020 18681 4097 1 6 . 1 1 76 76 ASP CB C 76 39.714 39.714 41.145 -1.431 18681 4098 1 6 . 1 1 76 76 ASP H H 76 8.332 8.332 8.440 -0.108 18681 4099 1 6 . 1 1 77 77 ASN N N 77 121.250 121.250 120.336 0.914 18681 4100 1 6 . 1 1 77 77 ASN HA H 77 4.489 4.489 4.787 -0.298 18681 4101 1 6 . 1 1 77 77 ASN CA C 77 54.063 54.063 51.712 2.352 18681 4102 1 6 . 1 1 77 77 ASN CB C 77 40.058 40.058 39.994 0.064 18681 4103 1 6 . 1 1 77 77 ASN H H 77 7.725 7.725 8.197 -0.472 18681 4104 1 6 . 1 1 78 78 GLU N N 78 129.390 129.390 121.309 8.081 18681 4105 1 6 . 1 1 78 78 GLU HA H 78 4.225 4.225 3.930 0.295 18681 4106 1 6 . 1 1 78 78 GLU CA C 78 58.888 58.888 60.322 -1.435 18681 4107 1 6 . 1 1 78 78 GLU CB C 78 29.698 29.698 29.645 0.052 18681 4108 1 6 . 1 1 78 78 GLU H H 78 9.282 9.282 8.812 0.470 18681 4109 1 6 . 1 1 79 79 ALA N N 79 116.576 116.576 120.253 -3.677 18681 4110 1 6 . 1 1 79 79 ALA HA H 79 4.079 4.079 4.226 -0.147 18681 4111 1 6 . 1 1 79 79 ALA CA C 79 53.222 53.222 54.824 -1.602 18681 4112 1 6 . 1 1 79 79 ALA CB C 79 19.347 19.347 18.751 0.596 18681 4113 1 6 . 1 1 79 79 ALA H H 79 8.285 8.285 8.184 0.101 18681 4114 1 6 . 1 1 80 80 ILE N N 80 116.410 116.410 115.185 1.225 18681 4115 1 6 . 1 1 80 80 ILE HA H 80 4.043 4.043 3.840 0.203 18681 4116 1 6 . 1 1 80 80 ILE CA C 80 59.695 59.695 62.364 -2.669 18681 4117 1 6 . 1 1 80 80 ILE CB C 80 36.642 36.642 36.586 0.056 18681 4118 1 6 . 1 1 80 80 ILE H H 80 7.857 7.857 7.830 0.027 18681 4119 1 6 . 1 1 81 81 THR N N 81 110.649 110.649 108.270 2.379 18681 4120 1 6 . 1 1 81 81 THR HA H 81 4.079 4.079 4.352 -0.273 18681 4121 1 6 . 1 1 81 81 THR CA C 81 63.509 63.509 61.776 1.733 18681 4122 1 6 . 1 1 81 81 THR CB C 81 68.764 68.764 70.667 -1.903 18681 4123 1 6 . 1 1 81 81 THR H H 81 7.869 7.869 7.895 -0.026 18681 4124 1 6 . 1 1 82 82 GLN N N 82 120.522 120.522 121.133 -0.611 18681 4125 1 6 . 1 1 82 82 GLN HA H 82 4.743 4.743 4.684 0.059 18681 4126 1 6 . 1 1 82 82 GLN CB C 82 29.184 29.184 31.620 -2.436 18681 4127 1 6 . 1 1 82 82 GLN H H 82 8.016 8.016 7.610 0.406 18681 4128 1 6 . 1 1 83 83 GLU N N 83 126.907 126.907 126.602 0.305 18681 4129 1 6 . 1 1 83 83 GLU HA H 83 4.011 4.011 4.312 -0.301 18681 4130 1 6 . 1 1 83 83 GLU CA C 83 60.736 60.736 59.215 1.522 18681 4131 1 6 . 1 1 83 83 GLU CB C 83 29.353 29.353 29.460 -0.107 18681 4132 1 6 . 1 1 83 83 GLU H H 83 9.146 9.146 9.127 0.019 18681 4133 1 6 . 1 1 84 84 ILE N N 84 115.693 115.693 114.423 1.270 18681 4134 1 6 . 1 1 84 84 ILE HA H 84 3.764 3.764 3.852 -0.088 18681 4135 1 6 . 1 1 84 84 ILE CA C 84 63.908 63.908 64.104 -0.196 18681 4136 1 6 . 1 1 84 84 ILE CB C 84 37.762 37.762 37.289 0.473 18681 4137 1 6 . 1 1 84 84 ILE H H 84 8.460 8.460 7.924 0.536 18681 4138 1 6 . 1 1 85 85 VAL N N 85 123.415 123.415 120.501 2.914 18681 4139 1 6 . 1 1 85 85 VAL HA H 85 3.714 3.714 3.686 0.028 18681 4140 1 6 . 1 1 85 85 VAL CA C 85 65.226 65.226 66.024 -0.798 18681 4141 1 6 . 1 1 85 85 VAL CB C 85 31.142 31.142 30.936 0.206 18681 4142 1 6 . 1 1 85 85 VAL H H 85 7.034 7.034 7.689 -0.655 18681 4143 1 6 . 1 1 86 86 GLY N N 86 110.422 110.422 108.104 2.318 18681 4144 1 6 . 1 1 86 86 GLY CA C 86 49.167 49.167 47.641 1.526 18681 4145 1 6 . 1 1 86 86 GLY H H 86 8.139 8.139 8.127 0.012 18681 4146 1 6 . 1 1 87 87 CYS N N 87 121.087 121.087 119.304 1.783 18681 4147 1 6 . 1 1 87 87 CYS HA H 87 2.923 2.923 3.204 -0.281 18681 4148 1 6 . 1 1 87 87 CYS CA C 87 62.064 62.064 61.682 0.382 18681 4149 1 6 . 1 1 87 87 CYS CB C 87 25.682 25.682 26.546 -0.864 18681 4150 1 6 . 1 1 87 87 CYS H H 87 8.052 8.052 7.782 0.270 18681 4151 1 6 . 1 1 88 88 ALA N N 88 119.739 119.739 124.105 -4.366 18681 4152 1 6 . 1 1 88 88 ALA HA H 88 4.109 4.109 3.936 0.173 18681 4153 1 6 . 1 1 88 88 ALA CA C 88 54.895 54.895 54.617 0.278 18681 4154 1 6 . 1 1 88 88 ALA CB C 88 17.680 17.680 18.010 -0.330 18681 4155 1 6 . 1 1 88 88 ALA H H 88 7.230 7.230 7.691 -0.461 18681 4156 1 6 . 1 1 89 89 HIS N N 89 118.056 118.056 119.090 -1.034 18681 4157 1 6 . 1 1 89 89 HIS HA H 89 4.172 4.172 4.209 -0.037 18681 4158 1 6 . 1 1 89 89 HIS CA C 89 59.587 59.587 60.228 -0.641 18681 4159 1 6 . 1 1 89 89 HIS CB C 89 30.446 30.446 29.983 0.463 18681 4160 1 6 . 1 1 89 89 HIS H H 89 8.190 8.190 7.992 0.198 18681 4161 1 6 . 1 1 90 90 LEU N N 90 120.375 120.375 119.410 0.965 18681 4162 1 6 . 1 1 90 90 LEU HA H 90 3.953 3.953 3.843 0.110 18681 4163 1 6 . 1 1 90 90 LEU CA C 90 57.959 57.959 58.191 -0.233 18681 4164 1 6 . 1 1 90 90 LEU CB C 90 41.434 41.434 41.502 -0.068 18681 4165 1 6 . 1 1 90 90 LEU H H 90 8.115 8.115 7.800 0.315 18681 4166 1 6 . 1 1 91 91 GLU N N 91 119.711 119.711 120.003 -0.292 18681 4167 1 6 . 1 1 91 91 GLU HA H 91 3.801 3.801 3.801 0.000 18681 4168 1 6 . 1 1 91 91 GLU CA C 91 60.130 60.130 59.942 0.188 18681 4169 1 6 . 1 1 91 91 GLU CB C 91 29.870 29.870 29.394 0.476 18681 4170 1 6 . 1 1 91 91 GLU H H 91 9.186 9.186 8.321 0.865 18681 4171 1 6 . 1 1 92 92 ASN N N 92 116.626 116.626 117.644 -1.018 18681 4172 1 6 . 1 1 92 92 ASN HA H 92 4.411 4.411 4.445 -0.034 18681 4173 1 6 . 1 1 92 92 ASN CA C 92 56.280 56.280 56.191 0.090 18681 4174 1 6 . 1 1 92 92 ASN CB C 92 38.464 38.464 38.682 -0.218 18681 4175 1 6 . 1 1 92 92 ASN H H 92 8.392 8.392 7.876 0.516 18681 4176 1 6 . 1 1 93 93 TYR N N 93 121.123 121.123 119.740 1.383 18681 4177 1 6 . 1 1 93 93 TYR HA H 93 4.465 4.465 4.061 0.404 18681 4178 1 6 . 1 1 93 93 TYR CA C 93 59.339 59.339 60.609 -1.270 18681 4179 1 6 . 1 1 93 93 TYR CB C 93 38.593 38.593 37.853 0.739 18681 4180 1 6 . 1 1 93 93 TYR H H 93 7.742 7.742 8.013 -0.271 18681 4181 1 6 . 1 1 94 94 ALA N N 94 120.589 120.589 121.927 -1.338 18681 4182 1 6 . 1 1 94 94 ALA HA H 94 3.742 3.742 4.032 -0.290 18681 4183 1 6 . 1 1 94 94 ALA CA C 94 55.340 55.340 55.379 -0.039 18681 4184 1 6 . 1 1 94 94 ALA CB C 94 17.779 17.779 18.339 -0.560 18681 4185 1 6 . 1 1 94 94 ALA H H 94 8.811 8.811 8.453 0.358 18681 4186 1 6 . 1 1 95 95 LEU HA H 95 4.132 4.132 4.010 0.122 18681 4187 1 6 . 1 1 95 95 LEU CB C 95 40.964 40.964 40.842 0.122 18681 4188 1 6 . 1 1 95 95 LEU H H 95 8.345 8.345 7.874 0.471 18681 4189 1 6 . 1 1 96 96 LYS N N 96 119.704 119.704 119.550 0.154 18681 4190 1 6 . 1 1 96 96 LYS HA H 96 3.971 3.971 3.975 -0.004 18681 4191 1 6 . 1 1 96 96 LYS CA C 96 59.877 59.877 59.495 0.383 18681 4192 1 6 . 1 1 96 96 LYS CB C 96 32.096 32.096 32.145 -0.049 18681 4193 1 6 . 1 1 96 96 LYS H H 96 8.057 8.057 8.078 -0.021 18681 4194 1 6 . 1 1 97 97 MET N N 97 119.269 119.269 118.349 0.920 18681 4195 1 6 . 1 1 97 97 MET HA H 97 4.146 4.146 4.152 -0.006 18681 4196 1 6 . 1 1 97 97 MET CA C 97 59.020 59.020 59.147 -0.127 18681 4197 1 6 . 1 1 97 97 MET CB C 97 32.949 32.949 32.696 0.253 18681 4198 1 6 . 1 1 97 97 MET H H 97 7.791 7.791 8.119 -0.328 18681 4199 1 6 . 1 1 98 98 PHE N N 98 120.493 120.493 121.345 -0.852 18681 4200 1 6 . 1 1 98 98 PHE HA H 98 3.686 3.686 3.976 -0.290 18681 4201 1 6 . 1 1 98 98 PHE CA C 98 62.257 62.257 62.091 0.166 18681 4202 1 6 . 1 1 98 98 PHE CB C 98 39.929 39.929 38.963 0.966 18681 4203 1 6 . 1 1 98 98 PHE H H 98 8.584 8.584 8.729 -0.145 18681 4204 1 6 . 1 1 99 99 LEU N N 99 118.196 118.196 119.011 -0.815 18681 4205 1 6 . 1 1 99 99 LEU HA H 99 3.923 3.923 3.805 0.118 18681 4206 1 6 . 1 1 99 99 LEU CA C 99 57.670 57.670 58.188 -0.518 18681 4207 1 6 . 1 1 99 99 LEU CB C 99 41.371 41.371 41.676 -0.305 18681 4208 1 6 . 1 1 99 99 LEU H H 99 9.148 9.148 8.675 0.473 18681 4209 1 6 . 1 1 100 100 TYR N N 100 119.695 119.695 120.368 -0.673 18681 4210 1 6 . 1 1 100 100 TYR HA H 100 4.179 4.179 4.003 0.176 18681 4211 1 6 . 1 1 100 100 TYR CA C 100 60.511 60.511 61.102 -0.591 18681 4212 1 6 . 1 1 100 100 TYR CB C 100 37.397 37.397 38.010 -0.613 18681 4213 1 6 . 1 1 100 100 TYR H H 100 7.699 7.699 7.873 -0.174 18681 4214 1 6 . 1 1 101 101 ALA N N 101 123.078 123.078 120.560 2.518 18681 4215 1 6 . 1 1 101 101 ALA HA H 101 2.916 2.916 3.532 -0.616 18681 4216 1 6 . 1 1 101 101 ALA CA C 101 55.042 55.042 54.865 0.177 18681 4217 1 6 . 1 1 101 101 ALA CB C 101 16.049 16.049 17.453 -1.404 18681 4218 1 6 . 1 1 101 101 ALA H H 101 7.385 7.385 7.645 -0.260 18681 4219 1 6 . 1 1 102 102 ASP N N 102 117.073 117.073 118.649 -1.576 18681 4220 1 6 . 1 1 102 102 ASP HA H 102 4.287 4.287 4.235 0.052 18681 4221 1 6 . 1 1 102 102 ASP CA C 102 57.049 57.049 57.502 -0.453 18681 4222 1 6 . 1 1 102 102 ASP CB C 102 42.898 42.898 40.725 2.173 18681 4223 1 6 . 1 1 102 102 ASP H H 102 8.539 8.539 7.683 0.856 18681 4224 1 6 . 1 1 103 103 ASN N N 103 116.630 116.630 118.045 -1.415 18681 4225 1 6 . 1 1 103 103 ASN HA H 103 4.264 4.264 4.320 -0.056 18681 4226 1 6 . 1 1 103 103 ASN CA C 103 56.386 56.386 55.786 0.600 18681 4227 1 6 . 1 1 103 103 ASN CB C 103 38.332 38.332 38.510 -0.178 18681 4228 1 6 . 1 1 103 103 ASN H H 103 7.970 7.970 8.338 -0.368 18681 4229 1 6 . 1 1 104 104 GLU N N 104 118.811 118.811 118.096 0.715 18681 4230 1 6 . 1 1 104 104 GLU HA H 104 3.619 3.619 3.897 -0.278 18681 4231 1 6 . 1 1 104 104 GLU CA C 104 58.982 58.982 58.537 0.445 18681 4232 1 6 . 1 1 104 104 GLU H H 104 7.474 7.474 7.488 -0.014 18681 4233 1 6 . 1 1 105 105 ASP N N 105 120.013 120.013 118.790 1.223 18681 4234 1 6 . 1 1 105 105 ASP HA H 105 3.818 3.818 4.323 -0.505 18681 4235 1 6 . 1 1 105 105 ASP CA C 105 57.508 57.508 56.439 1.069 18681 4236 1 6 . 1 1 105 105 ASP CB C 105 43.738 43.738 41.228 2.510 18681 4237 1 6 . 1 1 105 105 ASP H H 105 8.212 8.212 7.579 0.633 18681 4238 1 6 . 1 1 106 106 ARG N N 106 116.747 116.747 120.418 -3.671 18681 4239 1 6 . 1 1 106 106 ARG HA H 106 3.804 3.804 4.181 -0.377 18681 4240 1 6 . 1 1 106 106 ARG CA C 106 59.150 59.150 58.061 1.089 18681 4241 1 6 . 1 1 106 106 ARG CB C 106 30.083 30.083 29.332 0.751 18681 4242 1 6 . 1 1 106 106 ARG H H 106 8.532 8.532 8.179 0.353 18681 4243 1 6 . 1 1 107 107 ALA N N 107 119.388 119.388 120.644 -1.256 18681 4244 1 6 . 1 1 107 107 ALA HA H 107 4.232 4.232 4.214 0.018 18681 4245 1 6 . 1 1 107 107 ALA CA C 107 51.407 51.407 52.392 -0.985 18681 4246 1 6 . 1 1 107 107 ALA CB C 107 18.572 18.572 18.756 -0.184 18681 4247 1 6 . 1 1 107 107 ALA H H 107 7.302 7.302 7.629 -0.327 18681 4248 1 6 . 1 1 108 108 GLY N N 108 108.840 108.840 105.590 3.250 18681 4249 1 6 . 1 1 108 108 GLY CA C 108 45.735 45.735 45.123 0.612 18681 4250 1 6 . 1 1 108 108 GLY H H 108 7.905 7.905 7.567 0.338 18681 4251 1 6 . 1 1 109 109 ARG N N 109 121.140 121.140 120.911 0.229 18681 4252 1 6 . 1 1 109 109 ARG HA H 109 4.126 4.126 4.181 -0.055 18681 4253 1 6 . 1 1 109 109 ARG CA C 109 55.361 55.361 55.664 -0.303 18681 4254 1 6 . 1 1 109 109 ARG H H 109 7.642 7.642 7.578 0.064 18681 4255 1 6 . 1 1 110 110 PHE N N 110 119.534 119.534 119.655 -0.121 18681 4256 1 6 . 1 1 110 110 PHE HA H 110 4.950 4.950 4.848 0.102 18681 4257 1 6 . 1 1 110 110 PHE CA C 110 55.415 55.415 56.730 -1.315 18681 4258 1 6 . 1 1 110 110 PHE H H 110 7.644 7.644 8.108 -0.464 18681 4259 1 6 . 1 1 111 111 HIS N N 111 116.408 116.408 121.384 -4.976 18681 4260 1 6 . 1 1 111 111 HIS HA H 111 4.757 4.757 4.904 -0.146 18681 4261 1 6 . 1 1 111 111 HIS CB C 111 32.022 32.022 33.527 -1.505 18681 4262 1 6 . 1 1 111 111 HIS H H 111 6.789 6.789 8.254 -1.465 18681 4263 1 6 . 1 1 112 112 LYS N N 112 119.836 119.836 122.143 -2.307 18681 4264 1 6 . 1 1 112 112 LYS HA H 112 4.059 4.059 4.103 -0.044 18681 4265 1 6 . 1 1 112 112 LYS H H 112 8.267 8.267 8.859 -0.592 18681 4266 1 6 . 1 1 113 113 ASN N N 113 118.047 118.047 118.500 -0.453 18681 4267 1 6 . 1 1 113 113 ASN HA H 113 4.737 4.737 4.565 0.172 18681 4268 1 6 . 1 1 113 113 ASN CB C 113 38.295 38.295 38.085 0.210 18681 4269 1 6 . 1 1 113 113 ASN H H 113 8.831 8.831 8.400 0.431 18681 4270 1 6 . 1 1 114 114 MET N N 114 119.081 119.081 119.293 -0.212 18681 4271 1 6 . 1 1 114 114 MET HA H 114 4.379 4.379 3.958 0.421 18681 4272 1 6 . 1 1 114 114 MET CA C 114 58.194 58.194 60.333 -2.139 18681 4273 1 6 . 1 1 114 114 MET H H 114 8.520 8.520 7.948 0.572 18681 4274 1 6 . 1 1 115 115 ILE N N 115 125.193 125.193 119.341 5.852 18681 4275 1 6 . 1 1 115 115 ILE HA H 115 3.651 3.651 3.953 -0.302 18681 4276 1 6 . 1 1 115 115 ILE CA C 115 66.869 66.869 64.048 2.821 18681 4277 1 6 . 1 1 115 115 ILE CB C 115 39.162 39.162 36.647 2.515 18681 4278 1 6 . 1 1 115 115 ILE H H 115 7.737 7.737 7.677 0.060 18681 4279 1 6 . 1 1 116 116 LYS N N 116 118.190 118.190 119.914 -1.724 18681 4280 1 6 . 1 1 116 116 LYS HA H 116 4.150 4.150 3.980 0.170 18681 4281 1 6 . 1 1 116 116 LYS CA C 116 59.379 59.379 60.120 -0.740 18681 4282 1 6 . 1 1 116 116 LYS CB C 116 32.097 32.097 32.190 -0.093 18681 4283 1 6 . 1 1 116 116 LYS H H 116 8.393 8.393 7.916 0.477 18681 4284 1 6 . 1 1 117 117 SER N N 117 117.471 117.471 116.856 0.615 18681 4285 1 6 . 1 1 117 117 SER HA H 117 4.096 4.096 4.219 -0.123 18681 4286 1 6 . 1 1 117 117 SER CA C 117 63.167 63.167 62.001 1.166 18681 4287 1 6 . 1 1 117 117 SER CB C 117 63.135 63.135 63.110 0.025 18681 4288 1 6 . 1 1 117 117 SER H H 117 8.138 8.138 8.595 -0.457 18681 4289 1 6 . 1 1 118 118 PHE N N 118 121.885 121.885 121.134 0.751 18681 4290 1 6 . 1 1 118 118 PHE HA H 118 4.408 4.408 4.235 0.173 18681 4291 1 6 . 1 1 118 118 PHE CA C 118 61.176 61.176 61.498 -0.322 18681 4292 1 6 . 1 1 118 118 PHE CB C 118 38.889 38.889 38.597 0.292 18681 4293 1 6 . 1 1 118 118 PHE H H 118 8.168 8.168 8.205 -0.037 18681 4294 1 6 . 1 1 119 119 TYR N N 119 118.356 118.356 120.328 -1.972 18681 4295 1 6 . 1 1 119 119 TYR HA H 119 3.935 3.935 4.099 -0.164 18681 4296 1 6 . 1 1 119 119 TYR CA C 119 62.261 62.261 62.728 -0.467 18681 4297 1 6 . 1 1 119 119 TYR CB C 119 38.498 38.498 38.603 -0.105 18681 4298 1 6 . 1 1 119 119 TYR H H 119 8.693 8.693 8.134 0.559 18681 4299 1 6 . 1 1 120 120 THR N N 120 117.468 117.468 116.533 0.935 18681 4300 1 6 . 1 1 120 120 THR HA H 120 3.705 3.705 3.972 -0.267 18681 4301 1 6 . 1 1 120 120 THR CA C 120 67.393 67.393 67.606 -0.213 18681 4302 1 6 . 1 1 120 120 THR CB C 120 68.041 68.041 68.332 -0.291 18681 4303 1 6 . 1 1 120 120 THR H H 120 9.582 9.582 8.385 1.197 18681 4304 1 6 . 1 1 121 121 ALA N N 121 124.210 124.210 124.254 -0.044 18681 4305 1 6 . 1 1 121 121 ALA HA H 121 3.940 3.940 3.996 -0.056 18681 4306 1 6 . 1 1 121 121 ALA CA C 121 56.508 56.508 55.563 0.945 18681 4307 1 6 . 1 1 121 121 ALA CB C 121 17.325 17.325 18.053 -0.728 18681 4308 1 6 . 1 1 121 121 ALA H H 121 8.444 8.444 7.888 0.556 18681 4309 1 6 . 1 1 122 122 SER N N 122 111.334 111.334 115.052 -3.718 18681 4310 1 6 . 1 1 122 122 SER HA H 122 4.009 4.009 4.177 -0.168 18681 4311 1 6 . 1 1 122 122 SER CA C 122 62.531 62.531 61.270 1.261 18681 4312 1 6 . 1 1 122 122 SER CB C 122 63.051 63.051 62.722 0.329 18681 4313 1 6 . 1 1 122 122 SER H H 122 7.724 7.724 7.807 -0.083 18681 4314 1 6 . 1 1 123 123 LEU N N 123 122.307 122.307 123.769 -1.462 18681 4315 1 6 . 1 1 123 123 LEU HA H 123 4.092 4.092 3.972 0.120 18681 4316 1 6 . 1 1 123 123 LEU CA C 123 57.100 57.100 58.022 -0.922 18681 4317 1 6 . 1 1 123 123 LEU CB C 123 41.615 41.615 41.784 -0.169 18681 4318 1 6 . 1 1 123 123 LEU H H 123 7.507 7.507 7.806 -0.299 18681 4319 1 6 . 1 1 124 124 LEU N N 124 117.851 117.851 120.024 -2.173 18681 4320 1 6 . 1 1 124 124 LEU HA H 124 3.935 3.935 3.995 -0.060 18681 4321 1 6 . 1 1 124 124 LEU CA C 124 56.967 56.967 58.346 -1.379 18681 4322 1 6 . 1 1 124 124 LEU CB C 124 41.832 41.832 41.760 0.072 18681 4323 1 6 . 1 1 124 124 LEU H H 124 8.457 8.457 8.125 0.332 18681 4324 1 6 . 1 1 125 125 ILE N N 125 118.695 118.695 120.062 -1.367 18681 4325 1 6 . 1 1 125 125 ILE HA H 125 3.718 3.718 3.509 0.209 18681 4326 1 6 . 1 1 125 125 ILE CA C 125 65.097 65.097 65.522 -0.425 18681 4327 1 6 . 1 1 125 125 ILE CB C 125 36.775 36.775 37.443 -0.668 18681 4328 1 6 . 1 1 125 125 ILE H H 125 7.766 7.766 7.973 -0.207 18681 4329 1 6 . 1 1 126 126 ASP N N 126 117.428 117.428 120.300 -2.872 18681 4330 1 6 . 1 1 126 126 ASP HA H 126 4.128 4.128 4.424 -0.296 18681 4331 1 6 . 1 1 126 126 ASP CA C 126 57.998 57.998 57.320 0.678 18681 4332 1 6 . 1 1 126 126 ASP CB C 126 39.372 39.372 40.041 -0.669 18681 4333 1 6 . 1 1 126 126 ASP H H 126 7.288 7.288 7.700 -0.412 18681 4334 1 6 . 1 1 127 127 VAL N N 127 120.003 120.003 118.589 1.414 18681 4335 1 6 . 1 1 127 127 VAL HA H 127 2.992 2.992 3.904 -0.912 18681 4336 1 6 . 1 1 127 127 VAL CA C 127 65.615 65.615 65.837 -0.222 18681 4337 1 6 . 1 1 127 127 VAL CB C 127 30.498 30.498 31.666 -1.168 18681 4338 1 6 . 1 1 127 127 VAL H H 127 7.366 7.366 7.434 -0.068 18681 4339 1 6 . 1 1 128 128 ILE N N 128 117.743 117.743 118.083 -0.340 18681 4340 1 6 . 1 1 128 128 ILE HA H 128 3.956 3.956 4.100 -0.144 18681 4341 1 6 . 1 1 128 128 ILE CA C 128 64.219 64.219 64.142 0.077 18681 4342 1 6 . 1 1 128 128 ILE CB C 128 37.930 37.930 38.152 -0.222 18681 4343 1 6 . 1 1 128 128 ILE H H 128 7.727 7.727 7.936 -0.209 18681 4344 1 6 . 1 1 129 129 THR N N 129 114.535 114.535 114.804 -0.269 18681 4345 1 6 . 1 1 129 129 THR HA H 129 4.638 4.638 4.147 0.491 18681 4346 1 6 . 1 1 129 129 THR CA C 129 64.808 64.808 65.975 -1.167 18681 4347 1 6 . 1 1 129 129 THR CB C 129 69.759 69.759 68.911 0.848 18681 4348 1 6 . 1 1 129 129 THR H H 129 7.873 7.873 8.357 -0.484 18681 4349 1 6 . 1 1 130 130 VAL N N 130 118.351 118.351 118.321 0.030 18681 4350 1 6 . 1 1 130 130 VAL HA H 130 4.014 4.014 3.706 0.308 18681 4351 1 6 . 1 1 130 130 VAL CA C 130 64.220 64.220 65.254 -1.034 18681 4352 1 6 . 1 1 130 130 VAL CB C 130 31.307 31.307 31.322 -0.015 18681 4353 1 6 . 1 1 130 130 VAL H H 130 8.381 8.381 7.949 0.432 18681 4354 1 6 . 1 1 131 131 PHE N N 131 117.227 117.227 120.910 -3.683 18681 4355 1 6 . 1 1 131 131 PHE HA H 131 4.567 4.567 4.359 0.208 18681 4356 1 6 . 1 1 131 131 PHE CA C 131 57.840 57.840 60.400 -2.560 18681 4357 1 6 . 1 1 131 131 PHE CB C 131 39.029 39.029 39.274 -0.245 18681 4358 1 6 . 1 1 131 131 PHE H H 131 7.638 7.638 7.862 -0.224 18681 4359 1 6 . 1 1 132 132 GLY N N 132 106.811 106.811 105.221 1.590 18681 4360 1 6 . 1 1 132 132 GLY CA C 132 43.921 43.921 44.724 -0.803 18681 4361 1 6 . 1 1 132 132 GLY H H 132 7.433 7.433 8.013 -0.580 18681 4362 1 6 . 1 1 133 133 GLU N N 133 119.340 119.340 120.364 -1.024 18681 4363 1 6 . 1 1 133 133 GLU HA H 133 4.082 4.082 4.642 -0.560 18681 4364 1 6 . 1 1 133 133 GLU CA C 133 56.504 56.504 55.020 1.484 18681 4365 1 6 . 1 1 133 133 GLU CB C 133 30.184 30.184 30.798 -0.614 18681 4366 1 6 . 1 1 133 133 GLU H H 133 8.278 8.278 8.181 0.097 18681 4367 1 6 . 1 1 134 134 LEU N N 134 122.134 122.134 125.361 -3.227 18681 4368 1 6 . 1 1 134 134 LEU HA H 134 4.405 4.405 4.536 -0.131 18681 4369 1 6 . 1 1 134 134 LEU CA C 134 54.169 54.169 54.301 -0.132 18681 4370 1 6 . 1 1 134 134 LEU CB C 134 43.997 43.997 42.459 1.538 18681 4371 1 6 . 1 1 134 134 LEU H H 134 8.410 8.410 8.569 -0.159 18681 4372 1 6 . 1 1 135 135 THR N N 135 112.032 112.032 118.196 -6.164 18681 4373 1 6 . 1 1 135 135 THR HA H 135 4.220 4.220 4.469 -0.249 18681 4374 1 6 . 1 1 135 135 THR CA C 135 60.449 60.449 60.346 0.103 18681 4375 1 6 . 1 1 135 135 THR CB C 135 70.386 70.386 70.840 -0.454 18681 4376 1 6 . 1 1 135 135 THR H H 135 8.192 8.192 8.320 -0.128 18681 4377 1 6 . 1 1 136 136 ASP N N 136 121.429 121.429 122.454 -1.025 18681 4378 1 6 . 1 1 136 136 ASP HA H 136 4.191 4.191 4.315 -0.124 18681 4379 1 6 . 1 1 136 136 ASP CA C 136 57.415 57.415 57.386 0.029 18681 4380 1 6 . 1 1 136 136 ASP CB C 136 40.518 40.518 40.732 -0.214 18681 4381 1 6 . 1 1 136 136 ASP H H 136 8.793 8.793 8.737 0.056 18681 4382 1 6 . 1 1 137 137 GLU N N 137 117.727 117.727 118.412 -0.685 18681 4383 1 6 . 1 1 137 137 GLU HA H 137 3.670 3.670 3.528 0.142 18681 4384 1 6 . 1 1 137 137 GLU CA C 137 59.503 59.503 59.577 -0.074 18681 4385 1 6 . 1 1 137 137 GLU CB C 137 29.175 29.175 28.901 0.274 18681 4386 1 6 . 1 1 137 137 GLU H H 137 8.427 8.427 7.575 0.852 18681 4387 1 6 . 1 1 138 138 ASN N N 138 118.528 118.528 116.535 1.993 18681 4388 1 6 . 1 1 138 138 ASN HA H 138 4.488 4.488 4.356 0.132 18681 4389 1 6 . 1 1 138 138 ASN CA C 138 55.536 55.536 55.700 -0.164 18681 4390 1 6 . 1 1 138 138 ASN CB C 138 37.903 37.903 37.742 0.161 18681 4391 1 6 . 1 1 138 138 ASN H H 138 7.504 7.504 8.096 -0.592 18681 4392 1 6 . 1 1 139 139 VAL N N 139 122.269 122.269 120.582 1.687 18681 4393 1 6 . 1 1 139 139 VAL HA H 139 3.383 3.383 3.573 -0.190 18681 4394 1 6 . 1 1 139 139 VAL CA C 139 67.168 67.168 66.669 0.499 18681 4395 1 6 . 1 1 139 139 VAL CB C 139 31.765 31.765 31.080 0.685 18681 4396 1 6 . 1 1 139 139 VAL H H 139 8.249 8.249 7.730 0.519 18681 4397 1 6 . 1 1 140 140 LYS HA H 140 3.947 3.947 3.839 0.108 18681 4398 1 6 . 1 1 140 140 LYS CA C 140 59.691 59.691 60.032 -0.341 18681 4399 1 6 . 1 1 140 140 LYS CB C 140 32.044 32.044 32.083 -0.039 18681 4400 1 6 . 1 1 140 140 LYS H H 140 7.994 7.994 8.392 -0.398 18681 4401 1 6 . 1 1 141 141 HIS N N 141 117.389 117.389 117.713 -0.324 18681 4402 1 6 . 1 1 141 141 HIS HA H 141 4.296 4.296 4.254 0.042 18681 4403 1 6 . 1 1 141 141 HIS CA C 141 57.657 57.657 58.374 -0.717 18681 4404 1 6 . 1 1 141 141 HIS CB C 141 28.500 28.500 29.582 -1.083 18681 4405 1 6 . 1 1 141 141 HIS H H 141 8.491 8.491 7.888 0.603 18681 4406 1 6 . 1 1 142 142 ARG HA H 142 3.728 3.728 3.836 -0.108 18681 4407 1 6 . 1 1 142 142 ARG CA C 142 61.356 61.356 60.126 1.230 18681 4408 1 6 . 1 1 142 142 ARG H H 142 8.529 8.529 8.323 0.206 18681 4409 1 6 . 1 1 143 143 LYS N N 143 117.710 117.710 118.266 -0.556 18681 4410 1 6 . 1 1 143 143 LYS HA H 143 4.050 4.050 3.363 0.687 18681 4411 1 6 . 1 1 143 143 LYS CA C 143 59.368 59.368 58.732 0.636 18681 4412 1 6 . 1 1 143 143 LYS CB C 143 32.794 32.794 31.301 1.493 18681 4413 1 6 . 1 1 143 143 LYS H H 143 7.664 7.664 7.513 0.151 18681 4414 1 6 . 1 1 144 144 TYR HA H 144 4.275 4.275 3.977 0.298 18681 4415 1 6 . 1 1 144 144 TYR CA C 144 62.445 62.445 61.184 1.261 18681 4416 1 6 . 1 1 144 144 TYR CB C 144 39.542 39.542 38.444 1.098 18681 4417 1 6 . 1 1 144 144 TYR H H 144 8.269 8.269 8.167 0.102 18681 4418 1 6 . 1 1 145 145 ALA N N 145 118.744 118.744 121.540 -2.796 18681 4419 1 6 . 1 1 145 145 ALA HA H 145 3.667 3.667 3.653 0.014 18681 4420 1 6 . 1 1 145 145 ALA CA C 145 54.777 54.777 55.160 -0.383 18681 4421 1 6 . 1 1 145 145 ALA CB C 145 18.761 18.761 18.288 0.472 18681 4422 1 6 . 1 1 145 145 ALA H H 145 8.825 8.825 8.913 -0.088 18681 4423 1 6 . 1 1 146 146 ARG N N 146 116.092 116.092 118.782 -2.690 18681 4424 1 6 . 1 1 146 146 ARG HA H 146 3.865 3.865 4.030 -0.165 18681 4425 1 6 . 1 1 146 146 ARG CA C 146 59.666 59.666 59.471 0.195 18681 4426 1 6 . 1 1 146 146 ARG CB C 146 30.400 30.400 29.741 0.659 18681 4427 1 6 . 1 1 146 146 ARG H H 146 8.024 8.024 7.952 0.072 18681 4428 1 6 . 1 1 147 147 TRP N N 147 119.666 119.666 119.341 0.325 18681 4429 1 6 . 1 1 147 147 TRP HA H 147 4.224 4.224 4.450 -0.226 18681 4430 1 6 . 1 1 147 147 TRP CA C 147 60.996 60.996 58.315 2.681 18681 4431 1 6 . 1 1 147 147 TRP CB C 147 28.593 28.593 28.249 0.344 18681 4432 1 6 . 1 1 147 147 TRP H H 147 8.014 8.014 7.882 0.132 18681 4433 1 6 . 1 1 148 148 LYS N N 148 118.775 118.775 119.084 -0.309 18681 4434 1 6 . 1 1 148 148 LYS HA H 148 3.212 3.212 3.776 -0.564 18681 4435 1 6 . 1 1 148 148 LYS CA C 148 58.399 58.399 59.049 -0.650 18681 4436 1 6 . 1 1 148 148 LYS CB C 148 30.846 30.846 31.162 -0.316 18681 4437 1 6 . 1 1 148 148 LYS H H 148 8.619 8.619 8.128 0.491 18681 4438 1 6 . 1 1 149 149 ALA HA H 149 3.889 3.889 4.116 -0.227 18681 4439 1 6 . 1 1 149 149 ALA CA C 149 55.906 55.906 55.502 0.404 18681 4440 1 6 . 1 1 149 149 ALA CB C 149 18.443 18.443 18.337 0.106 18681 4441 1 6 . 1 1 149 149 ALA H H 149 7.813 7.813 8.334 -0.521 18681 4442 1 6 . 1 1 150 150 THR N N 150 112.174 112.174 116.612 -4.438 18681 4443 1 6 . 1 1 150 150 THR HA H 150 3.721 3.721 4.077 -0.356 18681 4444 1 6 . 1 1 150 150 THR CA C 150 66.282 66.282 67.934 -1.652 18681 4445 1 6 . 1 1 150 150 THR CB C 150 68.853 68.853 69.021 -0.168 18681 4446 1 6 . 1 1 150 150 THR H H 150 7.232 7.232 7.828 -0.596 18681 4447 1 6 . 1 1 151 151 TYR N N 151 123.353 123.353 123.414 -0.061 18681 4448 1 6 . 1 1 151 151 TYR HA H 151 4.005 4.005 4.087 -0.082 18681 4449 1 6 . 1 1 151 151 TYR CA C 151 60.334 60.334 62.183 -1.849 18681 4450 1 6 . 1 1 151 151 TYR CB C 151 38.246 38.246 38.212 0.034 18681 4451 1 6 . 1 1 151 151 TYR H H 151 8.513 8.513 8.700 -0.187 18681 4452 1 6 . 1 1 152 152 ILE N N 152 119.933 119.933 118.852 1.081 18681 4453 1 6 . 1 1 152 152 ILE HA H 152 2.789 2.789 3.278 -0.489 18681 4454 1 6 . 1 1 152 152 ILE CA C 152 65.885 65.885 66.034 -0.149 18681 4455 1 6 . 1 1 152 152 ILE CB C 152 38.194 38.194 37.692 0.502 18681 4456 1 6 . 1 1 152 152 ILE H H 152 8.860 8.860 8.614 0.246 18681 4457 1 6 . 1 1 153 153 HIS N N 153 117.221 117.221 119.493 -2.272 18681 4458 1 6 . 1 1 153 153 HIS HA H 153 3.957 3.957 4.099 -0.142 18681 4459 1 6 . 1 1 153 153 HIS CA C 153 60.290 60.290 60.784 -0.494 18681 4460 1 6 . 1 1 153 153 HIS CB C 153 30.363 30.363 29.882 0.481 18681 4461 1 6 . 1 1 153 153 HIS H H 153 7.757 7.757 7.964 -0.207 18681 4462 1 6 . 1 1 154 154 ASN N N 154 117.429 117.429 117.919 -0.490 18681 4463 1 6 . 1 1 154 154 ASN HA H 154 4.124 4.124 4.325 -0.201 18681 4464 1 6 . 1 1 154 154 ASN CA C 154 55.977 55.977 55.861 0.116 18681 4465 1 6 . 1 1 154 154 ASN CB C 154 37.579 37.579 38.480 -0.901 18681 4466 1 6 . 1 1 154 154 ASN H H 154 8.355 8.355 8.495 -0.140 18681 4467 1 6 . 1 1 155 155 CYS N N 155 118.306 118.306 118.832 -0.526 18681 4468 1 6 . 1 1 155 155 CYS HA H 155 3.881 3.881 3.834 0.047 18681 4469 1 6 . 1 1 155 155 CYS CA C 155 64.039 64.039 63.662 0.377 18681 4470 1 6 . 1 1 155 155 CYS CB C 155 26.124 26.124 26.217 -0.093 18681 4471 1 6 . 1 1 155 155 CYS H H 155 8.020 8.020 8.087 -0.067 18681 4472 1 6 . 1 1 156 156 LEU N N 156 118.448 118.448 120.404 -1.956 18681 4473 1 6 . 1 1 156 156 LEU HA H 156 3.944 3.944 3.771 0.173 18681 4474 1 6 . 1 1 156 156 LEU CA C 156 57.844 57.844 57.634 0.210 18681 4475 1 6 . 1 1 156 156 LEU CB C 156 40.196 40.196 41.582 -1.386 18681 4476 1 6 . 1 1 156 156 LEU H H 156 8.139 8.139 8.201 -0.062 18681 4477 1 6 . 1 1 157 157 LYS N N 157 120.180 120.180 119.659 0.521 18681 4478 1 6 . 1 1 157 157 LYS HA H 157 3.896 3.896 3.865 0.031 18681 4479 1 6 . 1 1 157 157 LYS CA C 157 58.474 58.474 58.613 -0.139 18681 4480 1 6 . 1 1 157 157 LYS CB C 157 31.852 31.852 32.136 -0.284 18681 4481 1 6 . 1 1 157 157 LYS H H 157 7.912 7.912 7.549 0.363 18681 4482 1 6 . 1 1 158 158 ASN N N 158 115.220 115.220 114.556 0.664 18681 4483 1 6 . 1 1 158 158 ASN HA H 158 4.730 4.730 4.660 0.070 18681 4484 1 6 . 1 1 158 158 ASN CB C 158 39.411 39.411 38.778 0.633 18681 4485 1 6 . 1 1 158 158 ASN H H 158 7.422 7.422 7.867 -0.445 18681 4486 1 6 . 1 1 159 159 GLY N N 159 108.815 108.815 107.506 1.309 18681 4487 1 6 . 1 1 159 159 GLY CA C 159 46.296 46.296 45.317 0.979 18681 4488 1 6 . 1 1 159 159 GLY H H 159 7.752 7.752 7.674 0.078 18681 4489 1 6 . 1 1 160 160 GLU N N 160 119.601 119.601 120.242 -0.641 18681 4490 1 6 . 1 1 160 160 GLU HA H 160 4.421 4.421 4.336 0.085 18681 4491 1 6 . 1 1 160 160 GLU CA C 160 54.102 54.102 55.714 -1.612 18681 4492 1 6 . 1 1 160 160 GLU CB C 160 31.969 31.969 30.796 1.173 18681 4493 1 6 . 1 1 160 160 GLU H H 160 8.174 8.174 8.070 0.104 18681 4494 1 6 . 1 1 161 161 THR N N 161 120.600 120.600 120.966 -0.366 18681 4495 1 6 . 1 1 161 161 THR HA H 161 4.341 4.341 4.341 0.000 18681 4496 1 6 . 1 1 161 161 THR CB C 161 69.624 69.624 69.264 0.359 18681 4497 1 6 . 1 1 161 161 THR H H 161 8.714 8.714 8.253 0.461 18681 4498 1 6 . 1 1 162 162 PRO HA H 162 4.277 4.277 4.256 0.021 18681 4499 1 6 . 1 1 162 162 PRO CA C 162 61.790 61.790 62.936 -1.146 18681 4500 1 6 . 1 1 162 162 PRO CB C 162 31.178 31.178 32.063 -0.885 18681 4501 1 7 . 1 1 2 2 ALA N N 2 125.894 125.894 125.383 0.511 18681 4502 1 7 . 1 1 2 2 ALA HA H 2 4.192 4.192 4.502 -0.310 18681 4503 1 7 . 1 1 2 2 ALA CA C 2 52.096 52.096 52.758 -0.662 18681 4504 1 7 . 1 1 2 2 ALA CB C 2 19.072 19.072 18.331 0.741 18681 4505 1 7 . 1 1 2 2 ALA H H 2 8.413 8.413 8.180 0.233 18681 4506 1 7 . 1 1 3 3 ALA N N 3 123.543 123.543 126.163 -2.620 18681 4507 1 7 . 1 1 3 3 ALA HA H 3 4.226 4.226 4.513 -0.287 18681 4508 1 7 . 1 1 3 3 ALA CA C 3 51.943 51.943 51.926 0.017 18681 4509 1 7 . 1 1 3 3 ALA CB C 3 18.992 18.992 20.879 -1.887 18681 4510 1 7 . 1 1 3 3 ALA H H 3 8.233 8.233 8.231 0.002 18681 4511 1 7 . 1 1 4 4 LEU N N 4 121.641 121.641 122.768 -1.127 18681 4512 1 7 . 1 1 4 4 LEU HA H 4 4.284 4.284 4.426 -0.142 18681 4513 1 7 . 1 1 4 4 LEU CA C 4 53.885 53.885 54.213 -0.328 18681 4514 1 7 . 1 1 4 4 LEU CB C 4 42.307 42.307 42.279 0.028 18681 4515 1 7 . 1 1 4 4 LEU H H 4 8.114 8.114 8.426 -0.312 18681 4516 1 7 . 1 1 5 5 ALA N N 5 128.329 128.329 125.816 2.513 18681 4517 1 7 . 1 1 5 5 ALA HA H 5 4.453 4.453 4.551 -0.098 18681 4518 1 7 . 1 1 5 5 ALA CA C 5 50.164 50.164 50.255 -0.091 18681 4519 1 7 . 1 1 5 5 ALA CB C 5 17.687 17.687 18.332 -0.645 18681 4520 1 7 . 1 1 5 5 ALA H H 5 8.623 8.623 8.282 0.341 18681 4521 1 7 . 1 1 6 6 PRO HA H 6 4.274 4.274 4.425 -0.151 18681 4522 1 7 . 1 1 6 6 PRO CA C 6 62.403 62.403 62.768 -0.365 18681 4523 1 7 . 1 1 6 6 PRO CB C 6 32.105 32.105 31.997 0.108 18681 4524 1 7 . 1 1 7 7 LEU N N 7 122.228 122.228 122.046 0.182 18681 4525 1 7 . 1 1 7 7 LEU HA H 7 4.324 4.324 4.526 -0.202 18681 4526 1 7 . 1 1 7 7 LEU CA C 7 52.914 52.914 51.154 1.760 18681 4527 1 7 . 1 1 7 7 LEU CB C 7 40.952 40.952 40.974 -0.022 18681 4528 1 7 . 1 1 7 7 LEU H H 7 8.264 8.264 8.049 0.215 18681 4529 1 7 . 1 1 8 8 PRO HA H 8 4.745 4.745 4.679 0.066 18681 4530 1 7 . 1 1 9 9 PRO HA H 9 4.200 4.200 4.286 -0.086 18681 4531 1 7 . 1 1 9 9 PRO CA C 9 62.648 62.648 63.449 -0.801 18681 4532 1 7 . 1 1 9 9 PRO CB C 9 31.646 31.646 32.078 -0.432 18681 4533 1 7 . 1 1 10 10 LEU N N 10 125.824 125.824 126.115 -0.291 18681 4534 1 7 . 1 1 10 10 LEU HA H 10 3.742 3.742 4.347 -0.605 18681 4535 1 7 . 1 1 10 10 LEU CA C 10 53.064 53.064 53.897 -0.833 18681 4536 1 7 . 1 1 10 10 LEU CB C 10 42.980 42.980 42.267 0.714 18681 4537 1 7 . 1 1 10 10 LEU H H 10 8.172 8.172 8.383 -0.211 18681 4538 1 7 . 1 1 11 11 PRO HA H 11 4.175 4.175 4.372 -0.197 18681 4539 1 7 . 1 1 11 11 PRO CA C 11 62.124 62.124 62.638 -0.514 18681 4540 1 7 . 1 1 11 11 PRO CB C 11 32.442 32.442 31.986 0.456 18681 4541 1 7 . 1 1 12 12 ALA N N 12 128.292 128.292 123.569 4.723 18681 4542 1 7 . 1 1 12 12 ALA HA H 12 3.920 3.920 4.012 -0.092 18681 4543 1 7 . 1 1 12 12 ALA CA C 12 55.057 55.057 54.499 0.558 18681 4544 1 7 . 1 1 12 12 ALA CB C 12 17.918 17.918 19.034 -1.116 18681 4545 1 7 . 1 1 12 12 ALA H H 12 8.851 8.851 8.724 0.127 18681 4546 1 7 . 1 1 13 13 GLN N N 13 115.075 115.075 115.630 -0.555 18681 4547 1 7 . 1 1 13 13 GLN HA H 13 4.024 4.024 4.148 -0.124 18681 4548 1 7 . 1 1 13 13 GLN CA C 13 58.436 58.436 57.756 0.680 18681 4549 1 7 . 1 1 13 13 GLN CB C 13 28.058 28.058 28.369 -0.311 18681 4550 1 7 . 1 1 13 13 GLN H H 13 9.448 9.448 8.512 0.936 18681 4551 1 7 . 1 1 14 14 PHE N N 14 116.832 116.832 117.490 -0.658 18681 4552 1 7 . 1 1 14 14 PHE HA H 14 4.865 4.865 4.568 0.297 18681 4553 1 7 . 1 1 14 14 PHE CA C 14 52.224 52.224 56.024 -3.800 18681 4554 1 7 . 1 1 14 14 PHE CB C 14 36.841 36.841 37.936 -1.095 18681 4555 1 7 . 1 1 14 14 PHE H H 14 7.970 7.970 7.480 0.490 18681 4556 1 7 . 1 1 15 15 LYS N N 15 120.886 120.886 122.059 -1.173 18681 4557 1 7 . 1 1 15 15 LYS HA H 15 3.852 3.852 3.987 -0.135 18681 4558 1 7 . 1 1 15 15 LYS CA C 15 60.248 60.248 60.180 0.068 18681 4559 1 7 . 1 1 15 15 LYS CB C 15 32.137 32.137 32.195 -0.058 18681 4560 1 7 . 1 1 15 15 LYS H H 15 7.358 7.358 7.661 -0.303 18681 4561 1 7 . 1 1 16 16 SER N N 16 111.755 111.755 114.174 -2.419 18681 4562 1 7 . 1 1 16 16 SER HA H 16 4.321 4.321 4.238 0.083 18681 4563 1 7 . 1 1 16 16 SER CA C 16 61.099 61.099 61.036 0.063 18681 4564 1 7 . 1 1 16 16 SER CB C 16 62.700 62.700 63.378 -0.678 18681 4565 1 7 . 1 1 16 16 SER H H 16 8.733 8.733 8.324 0.409 18681 4566 1 7 . 1 1 17 17 ILE N N 17 113.676 113.676 115.690 -2.014 18681 4567 1 7 . 1 1 17 17 ILE HA H 17 6.002 6.002 4.919 1.083 18681 4568 1 7 . 1 1 17 17 ILE CA C 17 60.675 60.675 60.064 0.611 18681 4569 1 7 . 1 1 17 17 ILE CB C 17 37.907 37.907 36.684 1.223 18681 4570 1 7 . 1 1 17 17 ILE H H 17 7.692 7.692 7.389 0.303 18681 4571 1 7 . 1 1 18 18 GLN N N 18 122.213 122.213 122.410 -0.197 18681 4572 1 7 . 1 1 18 18 GLN HA H 18 3.875 3.875 3.942 -0.067 18681 4573 1 7 . 1 1 18 18 GLN CA C 18 59.886 59.886 59.990 -0.104 18681 4574 1 7 . 1 1 18 18 GLN CB C 18 29.027 29.027 28.861 0.166 18681 4575 1 7 . 1 1 18 18 GLN H H 18 7.810 7.810 8.229 -0.419 18681 4576 1 7 . 1 1 19 19 HIS N N 19 118.333 118.333 117.078 1.255 18681 4577 1 7 . 1 1 19 19 HIS HA H 19 4.547 4.547 4.415 0.132 18681 4578 1 7 . 1 1 19 19 HIS CA C 19 58.358 58.358 59.786 -1.428 18681 4579 1 7 . 1 1 19 19 HIS CB C 19 30.164 30.164 29.959 0.205 18681 4580 1 7 . 1 1 19 19 HIS H H 19 9.436 9.436 8.628 0.808 18681 4581 1 7 . 1 1 20 20 HIS N N 20 124.401 124.401 119.080 5.321 18681 4582 1 7 . 1 1 20 20 HIS HA H 20 3.958 3.958 4.276 -0.318 18681 4583 1 7 . 1 1 20 20 HIS CA C 20 62.329 62.329 60.522 1.807 18681 4584 1 7 . 1 1 20 20 HIS CB C 20 30.170 30.170 29.677 0.493 18681 4585 1 7 . 1 1 20 20 HIS H H 20 8.456 8.456 8.376 0.080 18681 4586 1 7 . 1 1 21 21 LEU N N 21 118.826 118.826 117.085 1.741 18681 4587 1 7 . 1 1 21 21 LEU HA H 21 4.096 4.096 4.271 -0.175 18681 4588 1 7 . 1 1 21 21 LEU CA C 21 57.730 57.730 58.753 -1.023 18681 4589 1 7 . 1 1 21 21 LEU CB C 21 41.415 41.415 41.217 0.198 18681 4590 1 7 . 1 1 21 21 LEU H H 21 8.028 8.028 8.017 0.011 18681 4591 1 7 . 1 1 22 22 ARG N N 22 121.674 121.674 119.951 1.723 18681 4592 1 7 . 1 1 22 22 ARG HA H 22 4.227 4.227 4.019 0.208 18681 4593 1 7 . 1 1 22 22 ARG CA C 22 59.535 59.535 59.798 -0.264 18681 4594 1 7 . 1 1 22 22 ARG CB C 22 29.809 29.809 30.080 -0.271 18681 4595 1 7 . 1 1 22 22 ARG H H 22 8.103 8.103 8.132 -0.029 18681 4596 1 7 . 1 1 23 23 THR N N 23 116.419 116.419 116.042 0.377 18681 4597 1 7 . 1 1 23 23 THR HA H 23 4.113 4.113 4.129 -0.016 18681 4598 1 7 . 1 1 23 23 THR CA C 23 67.072 67.072 66.812 0.260 18681 4599 1 7 . 1 1 23 23 THR CB C 23 68.245 68.245 68.621 -0.376 18681 4600 1 7 . 1 1 23 23 THR H H 23 8.208 8.208 8.459 -0.251 18681 4601 1 7 . 1 1 24 24 ALA N N 24 125.741 125.741 124.965 0.776 18681 4602 1 7 . 1 1 24 24 ALA HA H 24 3.928 3.928 4.070 -0.142 18681 4603 1 7 . 1 1 24 24 ALA CA C 24 56.675 56.675 55.395 1.280 18681 4604 1 7 . 1 1 24 24 ALA CB C 24 19.011 19.011 18.179 0.832 18681 4605 1 7 . 1 1 24 24 ALA H H 24 8.149 8.149 7.935 0.214 18681 4606 1 7 . 1 1 25 25 GLN N N 25 115.916 115.916 117.481 -1.565 18681 4607 1 7 . 1 1 25 25 GLN HA H 25 4.375 4.375 4.025 0.350 18681 4608 1 7 . 1 1 25 25 GLN CA C 25 58.060 58.060 58.911 -0.851 18681 4609 1 7 . 1 1 25 25 GLN CB C 25 28.423 28.423 28.319 0.104 18681 4610 1 7 . 1 1 25 25 GLN H H 25 7.785 7.785 8.308 -0.523 18681 4611 1 7 . 1 1 26 26 GLU N N 26 117.821 117.821 118.892 -1.071 18681 4612 1 7 . 1 1 26 26 GLU HA H 26 4.089 4.089 4.149 -0.060 18681 4613 1 7 . 1 1 26 26 GLU CA C 26 58.165 58.165 58.616 -0.451 18681 4614 1 7 . 1 1 26 26 GLU CB C 26 29.323 29.323 29.596 -0.273 18681 4615 1 7 . 1 1 26 26 GLU H H 26 8.457 8.457 7.921 0.536 18681 4616 1 7 . 1 1 27 27 HIS N N 27 115.762 115.762 119.655 -3.893 18681 4617 1 7 . 1 1 27 27 HIS HA H 27 4.380 4.380 4.379 0.001 18681 4618 1 7 . 1 1 27 27 HIS CA C 27 59.076 59.076 59.972 -0.896 18681 4619 1 7 . 1 1 27 27 HIS CB C 27 29.049 29.049 29.712 -0.663 18681 4620 1 7 . 1 1 27 27 HIS H H 27 7.962 7.962 8.664 -0.702 18681 4621 1 7 . 1 1 28 28 ASP N N 28 123.640 123.640 120.211 3.429 18681 4622 1 7 . 1 1 28 28 ASP HA H 28 4.332 4.332 4.481 -0.149 18681 4623 1 7 . 1 1 28 28 ASP CA C 28 58.935 58.935 57.105 1.830 18681 4624 1 7 . 1 1 28 28 ASP CB C 28 40.355 40.355 40.365 -0.010 18681 4625 1 7 . 1 1 28 28 ASP H H 28 7.593 7.593 8.865 -1.272 18681 4626 1 7 . 1 1 29 29 LYS N N 29 113.398 113.398 116.859 -3.461 18681 4627 1 7 . 1 1 29 29 LYS HA H 29 4.395 4.395 4.270 0.125 18681 4628 1 7 . 1 1 29 29 LYS CA C 29 56.654 56.654 57.753 -1.099 18681 4629 1 7 . 1 1 29 29 LYS CB C 29 32.708 32.708 33.373 -0.665 18681 4630 1 7 . 1 1 29 29 LYS H H 29 8.013 8.013 7.482 0.531 18681 4631 1 7 . 1 1 30 30 ARG N N 30 117.542 117.542 117.978 -0.436 18681 4632 1 7 . 1 1 30 30 ARG HA H 30 4.244 4.244 4.393 -0.149 18681 4633 1 7 . 1 1 30 30 ARG CA C 30 57.994 57.994 57.358 0.636 18681 4634 1 7 . 1 1 30 30 ARG CB C 30 32.658 32.658 32.490 0.168 18681 4635 1 7 . 1 1 30 30 ARG H H 30 7.873 7.873 8.055 -0.182 18681 4636 1 7 . 1 1 31 31 ASP N N 31 112.265 112.265 118.857 -6.592 18681 4637 1 7 . 1 1 31 31 ASP HA H 31 4.866 4.866 5.212 -0.346 18681 4638 1 7 . 1 1 31 31 ASP CA C 31 52.200 52.200 51.193 1.007 18681 4639 1 7 . 1 1 31 31 ASP CB C 31 40.932 40.932 41.896 -0.964 18681 4640 1 7 . 1 1 31 31 ASP H H 31 8.808 8.808 8.424 0.384 18681 4641 1 7 . 1 1 32 32 PRO HA H 32 4.411 4.411 4.296 0.115 18681 4642 1 7 . 1 1 32 32 PRO CA C 32 63.963 63.963 64.952 -0.989 18681 4643 1 7 . 1 1 32 32 PRO CB C 32 32.908 32.908 32.298 0.610 18681 4644 1 7 . 1 1 33 33 VAL N N 33 117.414 117.414 116.987 0.427 18681 4645 1 7 . 1 1 33 33 VAL HA H 33 3.480 3.480 3.696 -0.216 18681 4646 1 7 . 1 1 33 33 VAL CA C 33 66.518 66.518 66.758 -0.240 18681 4647 1 7 . 1 1 33 33 VAL CB C 33 31.120 31.120 30.992 0.128 18681 4648 1 7 . 1 1 33 33 VAL H H 33 7.656 7.656 7.693 -0.037 18681 4649 1 7 . 1 1 34 34 VAL N N 34 120.456 120.456 120.035 0.421 18681 4650 1 7 . 1 1 34 34 VAL HA H 34 3.561 3.561 3.596 -0.035 18681 4651 1 7 . 1 1 34 34 VAL CA C 34 66.828 66.828 66.823 0.005 18681 4652 1 7 . 1 1 34 34 VAL CB C 34 32.442 32.442 31.104 1.338 18681 4653 1 7 . 1 1 34 34 VAL H H 34 7.234 7.234 7.753 -0.519 18681 4654 1 7 . 1 1 35 35 ALA N N 35 121.869 121.869 122.996 -1.127 18681 4655 1 7 . 1 1 35 35 ALA HA H 35 3.909 3.909 3.999 -0.090 18681 4656 1 7 . 1 1 35 35 ALA CA C 35 56.024 56.024 55.383 0.640 18681 4657 1 7 . 1 1 35 35 ALA CB C 35 19.264 19.264 18.302 0.962 18681 4658 1 7 . 1 1 35 35 ALA H H 35 8.096 8.096 7.853 0.243 18681 4659 1 7 . 1 1 36 36 TYR N N 36 117.995 117.995 120.137 -2.142 18681 4660 1 7 . 1 1 36 36 TYR HA H 36 3.826 3.826 3.968 -0.142 18681 4661 1 7 . 1 1 36 36 TYR CA C 36 62.044 62.044 62.539 -0.495 18681 4662 1 7 . 1 1 36 36 TYR CB C 36 38.136 38.136 38.377 -0.241 18681 4663 1 7 . 1 1 36 36 TYR H H 36 8.271 8.271 8.322 -0.051 18681 4664 1 7 . 1 1 37 37 TYR N N 37 116.773 116.773 117.573 -0.800 18681 4665 1 7 . 1 1 37 37 TYR HA H 37 4.046 4.046 4.127 -0.081 18681 4666 1 7 . 1 1 37 37 TYR CA C 37 63.831 63.831 62.429 1.402 18681 4667 1 7 . 1 1 37 37 TYR CB C 37 37.749 37.749 38.134 -0.385 18681 4668 1 7 . 1 1 37 37 TYR H H 37 8.213 8.213 8.016 0.197 18681 4669 1 7 . 1 1 38 38 CYS N N 38 116.194 116.194 118.135 -1.941 18681 4670 1 7 . 1 1 38 38 CYS HA H 38 4.370 4.370 4.130 0.240 18681 4671 1 7 . 1 1 38 38 CYS CA C 38 64.389 64.389 62.919 1.470 18681 4672 1 7 . 1 1 38 38 CYS CB C 38 27.945 27.945 26.079 1.866 18681 4673 1 7 . 1 1 38 38 CYS H H 38 8.695 8.695 8.716 -0.021 18681 4674 1 7 . 1 1 39 39 ARG N N 39 117.023 117.023 120.233 -3.210 18681 4675 1 7 . 1 1 39 39 ARG HA H 39 3.804 3.804 4.036 -0.232 18681 4676 1 7 . 1 1 39 39 ARG CA C 39 60.198 60.198 59.572 0.626 18681 4677 1 7 . 1 1 39 39 ARG H H 39 7.005 7.005 8.402 -1.397 18681 4678 1 7 . 1 1 40 40 LEU N N 40 123.317 123.317 121.515 1.802 18681 4679 1 7 . 1 1 40 40 LEU HA H 40 3.813 3.813 3.899 -0.086 18681 4680 1 7 . 1 1 40 40 LEU CA C 40 58.181 58.181 57.476 0.705 18681 4681 1 7 . 1 1 40 40 LEU CB C 40 42.085 42.085 41.365 0.720 18681 4682 1 7 . 1 1 40 40 LEU H H 40 8.326 8.326 7.583 0.743 18681 4683 1 7 . 1 1 41 41 TYR N N 41 118.320 118.320 119.847 -1.527 18681 4684 1 7 . 1 1 41 41 TYR HA H 41 3.732 3.732 3.912 -0.180 18681 4685 1 7 . 1 1 41 41 TYR CA C 41 61.418 61.418 61.727 -0.309 18681 4686 1 7 . 1 1 41 41 TYR CB C 41 38.953 38.953 38.235 0.718 18681 4687 1 7 . 1 1 41 41 TYR H H 41 8.533 8.533 7.868 0.665 18681 4688 1 7 . 1 1 42 42 ALA N N 42 123.644 123.644 122.156 1.488 18681 4689 1 7 . 1 1 42 42 ALA HA H 42 3.482 3.482 3.702 -0.220 18681 4690 1 7 . 1 1 42 42 ALA CA C 42 55.157 55.157 55.244 -0.087 18681 4691 1 7 . 1 1 42 42 ALA CB C 42 18.413 18.413 18.348 0.065 18681 4692 1 7 . 1 1 42 42 ALA H H 42 7.962 7.962 8.133 -0.171 18681 4693 1 7 . 1 1 43 43 MET N N 43 117.932 117.932 117.942 -0.010 18681 4694 1 7 . 1 1 43 43 MET HA H 43 3.696 3.696 3.820 -0.124 18681 4695 1 7 . 1 1 43 43 MET CA C 43 58.675 58.675 59.862 -1.187 18681 4696 1 7 . 1 1 43 43 MET H H 43 8.433 8.433 7.853 0.580 18681 4697 1 7 . 1 1 44 44 GLN N N 44 116.738 116.738 119.390 -2.652 18681 4698 1 7 . 1 1 44 44 GLN HA H 44 3.773 3.773 3.831 -0.058 18681 4699 1 7 . 1 1 44 44 GLN CA C 44 58.924 58.924 58.992 -0.068 18681 4700 1 7 . 1 1 44 44 GLN CB C 44 27.921 27.921 28.595 -0.674 18681 4701 1 7 . 1 1 44 44 GLN H H 44 8.307 8.307 7.984 0.323 18681 4702 1 7 . 1 1 45 45 THR N N 45 116.249 116.249 115.593 0.656 18681 4703 1 7 . 1 1 45 45 THR HA H 45 3.479 3.479 3.758 -0.279 18681 4704 1 7 . 1 1 45 45 THR CA C 45 66.529 66.529 66.384 0.145 18681 4705 1 7 . 1 1 45 45 THR CB C 45 67.635 67.635 67.924 -0.289 18681 4706 1 7 . 1 1 45 45 THR H H 45 7.954 7.954 7.901 0.053 18681 4707 1 7 . 1 1 46 46 GLY N N 46 110.016 110.016 109.482 0.534 18681 4708 1 7 . 1 1 46 46 GLY CA C 46 46.653 46.653 46.658 -0.005 18681 4709 1 7 . 1 1 46 46 GLY H H 46 8.429 8.429 8.252 0.177 18681 4710 1 7 . 1 1 47 47 MET N N 47 118.040 118.040 119.355 -1.315 18681 4711 1 7 . 1 1 47 47 MET HA H 47 3.876 3.876 4.617 -0.741 18681 4712 1 7 . 1 1 47 47 MET CA C 47 58.136 58.136 58.121 0.015 18681 4713 1 7 . 1 1 47 47 MET CB C 47 32.445 32.445 32.213 0.232 18681 4714 1 7 . 1 1 47 47 MET H H 47 8.160 8.160 8.567 -0.407 18681 4715 1 7 . 1 1 48 48 LYS N N 48 116.712 116.712 120.572 -3.860 18681 4716 1 7 . 1 1 48 48 LYS HA H 48 4.012 4.012 4.012 0.000 18681 4717 1 7 . 1 1 48 48 LYS CA C 48 57.945 57.945 59.180 -1.235 18681 4718 1 7 . 1 1 48 48 LYS CB C 48 32.533 32.533 32.046 0.487 18681 4719 1 7 . 1 1 48 48 LYS H H 48 6.958 6.958 7.375 -0.417 18681 4720 1 7 . 1 1 49 49 ILE N N 49 120.903 120.903 117.391 3.512 18681 4721 1 7 . 1 1 49 49 ILE HA H 49 3.718 3.718 3.835 -0.117 18681 4722 1 7 . 1 1 49 49 ILE CA C 49 64.863 64.863 64.008 0.855 18681 4723 1 7 . 1 1 49 49 ILE CB C 49 39.087 39.087 38.682 0.405 18681 4724 1 7 . 1 1 49 49 ILE H H 49 7.609 7.609 7.528 0.081 18681 4725 1 7 . 1 1 50 50 ASP N N 50 115.959 115.959 117.787 -1.828 18681 4726 1 7 . 1 1 50 50 ASP HA H 50 4.488 4.488 4.829 -0.341 18681 4727 1 7 . 1 1 50 50 ASP CA C 50 55.393 55.393 53.087 2.305 18681 4728 1 7 . 1 1 50 50 ASP CB C 50 40.952 40.952 41.327 -0.375 18681 4729 1 7 . 1 1 50 50 ASP H H 50 8.214 8.214 7.853 0.361 18681 4730 1 7 . 1 1 51 51 SER N N 51 115.917 115.917 120.038 -4.121 18681 4731 1 7 . 1 1 51 51 SER HA H 51 4.566 4.566 4.290 0.276 18681 4732 1 7 . 1 1 51 51 SER CA C 51 56.544 56.544 60.842 -4.298 18681 4733 1 7 . 1 1 51 51 SER CB C 51 64.126 64.126 63.526 0.600 18681 4734 1 7 . 1 1 51 51 SER H H 51 8.438 8.438 8.687 -0.249 18681 4735 1 7 . 1 1 52 52 LYS N N 52 122.213 122.213 121.322 0.891 18681 4736 1 7 . 1 1 52 52 LYS HA H 52 4.438 4.438 4.432 0.006 18681 4737 1 7 . 1 1 52 52 LYS CB C 52 35.344 35.344 32.753 2.591 18681 4738 1 7 . 1 1 52 52 LYS H H 52 8.937 8.937 8.250 0.687 18681 4739 1 7 . 1 1 53 53 THR N N 53 122.291 122.291 121.108 1.183 18681 4740 1 7 . 1 1 53 53 THR HA H 53 4.273 4.273 4.770 -0.497 18681 4741 1 7 . 1 1 53 53 THR CA C 53 61.837 61.837 58.652 3.185 18681 4742 1 7 . 1 1 53 53 THR CB C 53 68.067 68.067 69.399 -1.332 18681 4743 1 7 . 1 1 53 53 THR H H 53 9.437 9.437 8.316 1.121 18681 4744 1 7 . 1 1 54 54 PRO HA H 54 4.050 4.050 4.131 -0.081 18681 4745 1 7 . 1 1 54 54 PRO CA C 54 66.870 66.870 65.680 1.190 18681 4746 1 7 . 1 1 54 54 PRO CB C 54 31.670 31.670 31.705 -0.035 18681 4747 1 7 . 1 1 55 55 GLU N N 55 116.532 116.532 116.587 -0.055 18681 4748 1 7 . 1 1 55 55 GLU HA H 55 4.024 4.024 4.188 -0.164 18681 4749 1 7 . 1 1 55 55 GLU CA C 55 59.870 59.870 58.708 1.162 18681 4750 1 7 . 1 1 55 55 GLU CB C 55 28.759 28.759 29.098 -0.339 18681 4751 1 7 . 1 1 55 55 GLU H H 55 9.352 9.352 8.607 0.745 18681 4752 1 7 . 1 1 56 56 CYS N N 56 119.066 119.066 119.120 -0.054 18681 4753 1 7 . 1 1 56 56 CYS HA H 56 3.759 3.759 3.966 -0.207 18681 4754 1 7 . 1 1 56 56 CYS CA C 56 63.167 63.167 61.404 1.763 18681 4755 1 7 . 1 1 56 56 CYS CB C 56 26.891 26.891 26.673 0.218 18681 4756 1 7 . 1 1 56 56 CYS H H 56 7.126 7.126 8.171 -1.045 18681 4757 1 7 . 1 1 57 57 ARG N N 57 119.779 119.779 120.586 -0.807 18681 4758 1 7 . 1 1 57 57 ARG HA H 57 3.876 3.876 3.856 0.020 18681 4759 1 7 . 1 1 57 57 ARG CA C 57 60.025 60.025 59.939 0.086 18681 4760 1 7 . 1 1 57 57 ARG H H 57 8.252 8.252 8.698 -0.446 18681 4761 1 7 . 1 1 58 58 LYS N N 58 119.155 119.155 117.872 1.283 18681 4762 1 7 . 1 1 58 58 LYS HA H 58 4.056 4.056 4.018 0.038 18681 4763 1 7 . 1 1 58 58 LYS CA C 58 59.205 59.205 59.227 -0.022 18681 4764 1 7 . 1 1 58 58 LYS CB C 58 32.127 32.127 31.819 0.308 18681 4765 1 7 . 1 1 58 58 LYS H H 58 8.394 8.394 7.620 0.774 18681 4766 1 7 . 1 1 59 59 PHE N N 59 119.989 119.989 120.719 -0.730 18681 4767 1 7 . 1 1 59 59 PHE HA H 59 3.748 3.748 4.211 -0.463 18681 4768 1 7 . 1 1 59 59 PHE CA C 59 63.103 63.103 61.593 1.510 18681 4769 1 7 . 1 1 59 59 PHE CB C 59 39.644 39.644 39.136 0.508 18681 4770 1 7 . 1 1 59 59 PHE H H 59 7.720 7.720 7.493 0.227 18681 4771 1 7 . 1 1 60 60 LEU N N 60 117.203 117.203 119.334 -2.131 18681 4772 1 7 . 1 1 60 60 LEU HA H 60 3.991 3.991 3.939 0.052 18681 4773 1 7 . 1 1 60 60 LEU CA C 60 57.969 57.969 58.612 -0.643 18681 4774 1 7 . 1 1 60 60 LEU CB C 60 41.187 41.187 41.543 -0.356 18681 4775 1 7 . 1 1 60 60 LEU H H 60 8.685 8.685 9.047 -0.362 18681 4776 1 7 . 1 1 61 61 SER N N 61 114.724 114.724 116.347 -1.623 18681 4777 1 7 . 1 1 61 61 SER HA H 61 4.188 4.188 4.116 0.072 18681 4778 1 7 . 1 1 61 61 SER CA C 61 61.650 61.650 61.959 -0.309 18681 4779 1 7 . 1 1 61 61 SER CB C 61 62.589 62.589 62.443 0.146 18681 4780 1 7 . 1 1 61 61 SER H H 61 8.107 8.107 8.589 -0.482 18681 4781 1 7 . 1 1 62 62 LYS N N 62 120.164 120.164 121.479 -1.315 18681 4782 1 7 . 1 1 62 62 LYS HA H 62 4.147 4.147 4.041 0.106 18681 4783 1 7 . 1 1 62 62 LYS CA C 62 57.139 57.139 58.552 -1.413 18681 4784 1 7 . 1 1 62 62 LYS CB C 62 30.881 30.881 32.063 -1.182 18681 4785 1 7 . 1 1 62 62 LYS H H 62 7.541 7.541 7.627 -0.086 18681 4786 1 7 . 1 1 63 63 LEU N N 63 123.446 123.446 121.490 1.956 18681 4787 1 7 . 1 1 63 63 LEU HA H 63 3.926 3.926 3.984 -0.058 18681 4788 1 7 . 1 1 63 63 LEU CA C 63 57.709 57.709 58.043 -0.334 18681 4789 1 7 . 1 1 63 63 LEU CB C 63 41.222 41.222 41.819 -0.597 18681 4790 1 7 . 1 1 63 63 LEU H H 63 8.238 8.238 8.169 0.069 18681 4791 1 7 . 1 1 64 64 MET N N 64 120.864 120.864 118.827 2.037 18681 4792 1 7 . 1 1 64 64 MET HA H 64 4.143 4.143 4.038 0.105 18681 4793 1 7 . 1 1 64 64 MET CA C 64 58.644 58.644 59.299 -0.655 18681 4794 1 7 . 1 1 64 64 MET CB C 64 31.625 31.625 32.362 -0.737 18681 4795 1 7 . 1 1 64 64 MET H H 64 8.608 8.608 8.586 0.022 18681 4796 1 7 . 1 1 65 65 ASP N N 65 119.121 119.121 119.660 -0.539 18681 4797 1 7 . 1 1 65 65 ASP HA H 65 4.373 4.373 4.301 0.072 18681 4798 1 7 . 1 1 65 65 ASP CA C 65 57.390 57.390 57.685 -0.295 18681 4799 1 7 . 1 1 65 65 ASP CB C 65 39.956 39.956 40.877 -0.921 18681 4800 1 7 . 1 1 65 65 ASP H H 65 7.857 7.857 7.836 0.021 18681 4801 1 7 . 1 1 66 66 GLN N N 66 119.748 119.748 118.770 0.978 18681 4802 1 7 . 1 1 66 66 GLN HA H 66 4.084 4.084 4.007 0.077 18681 4803 1 7 . 1 1 66 66 GLN CB C 66 28.222 28.222 28.827 -0.605 18681 4804 1 7 . 1 1 66 66 GLN H H 66 7.703 7.703 7.873 -0.170 18681 4805 1 7 . 1 1 67 67 LEU N N 67 120.349 120.349 121.034 -0.685 18681 4806 1 7 . 1 1 67 67 LEU HA H 67 3.890 3.890 3.935 -0.045 18681 4807 1 7 . 1 1 67 67 LEU CA C 67 58.914 58.914 58.356 0.558 18681 4808 1 7 . 1 1 67 67 LEU H H 67 8.356 8.356 7.682 0.674 18681 4809 1 7 . 1 1 68 68 GLU N N 68 118.268 118.268 119.427 -1.159 18681 4810 1 7 . 1 1 68 68 GLU HA H 68 4.018 4.018 3.977 0.041 18681 4811 1 7 . 1 1 68 68 GLU CA C 68 59.174 59.174 59.487 -0.313 18681 4812 1 7 . 1 1 68 68 GLU CB C 68 29.419 29.419 29.214 0.205 18681 4813 1 7 . 1 1 68 68 GLU H H 68 8.547 8.547 7.992 0.555 18681 4814 1 7 . 1 1 69 69 ALA N N 69 122.349 122.349 123.589 -1.240 18681 4815 1 7 . 1 1 69 69 ALA HA H 69 4.126 4.126 4.095 0.031 18681 4816 1 7 . 1 1 69 69 ALA CA C 69 54.937 54.937 55.135 -0.198 18681 4817 1 7 . 1 1 69 69 ALA CB C 69 18.147 18.147 18.206 -0.059 18681 4818 1 7 . 1 1 69 69 ALA H H 69 7.853 7.853 7.803 0.050 18681 4819 1 7 . 1 1 70 70 LEU N N 70 120.257 120.257 119.303 0.954 18681 4820 1 7 . 1 1 70 70 LEU HA H 70 4.016 4.016 4.009 0.007 18681 4821 1 7 . 1 1 70 70 LEU CA C 70 57.750 57.750 58.158 -0.408 18681 4822 1 7 . 1 1 70 70 LEU CB C 70 42.623 42.623 40.978 1.645 18681 4823 1 7 . 1 1 70 70 LEU H H 70 8.553 8.553 8.017 0.536 18681 4824 1 7 . 1 1 71 71 LYS HA H 71 3.431 3.431 3.732 -0.301 18681 4825 1 7 . 1 1 71 71 LYS CB C 71 32.132 32.132 32.354 -0.222 18681 4826 1 7 . 1 1 71 71 LYS H H 71 8.636 8.636 7.939 0.697 18681 4827 1 7 . 1 1 72 72 LYS N N 72 117.417 117.417 118.451 -1.034 18681 4828 1 7 . 1 1 72 72 LYS HA H 72 4.007 4.007 3.952 0.055 18681 4829 1 7 . 1 1 72 72 LYS CA C 72 58.936 58.936 59.047 -0.111 18681 4830 1 7 . 1 1 72 72 LYS H H 72 7.620 7.620 8.056 -0.436 18681 4831 1 7 . 1 1 73 73 GLN N N 73 119.180 119.180 118.766 0.414 18681 4832 1 7 . 1 1 73 73 GLN HA H 73 4.027 4.027 4.050 -0.023 18681 4833 1 7 . 1 1 73 73 GLN CA C 73 58.084 58.084 58.430 -0.346 18681 4834 1 7 . 1 1 73 73 GLN CB C 73 29.044 29.044 28.792 0.252 18681 4835 1 7 . 1 1 73 73 GLN H H 73 7.798 7.798 8.059 -0.261 18681 4836 1 7 . 1 1 74 74 LEU N N 74 118.230 118.230 117.526 0.704 18681 4837 1 7 . 1 1 74 74 LEU HA H 74 4.258 4.258 3.945 0.313 18681 4838 1 7 . 1 1 74 74 LEU CA C 74 55.050 55.050 56.363 -1.313 18681 4839 1 7 . 1 1 74 74 LEU CB C 74 42.380 42.380 42.463 -0.083 18681 4840 1 7 . 1 1 74 74 LEU H H 74 8.050 8.050 7.956 0.094 18681 4841 1 7 . 1 1 75 75 GLY N N 75 106.441 106.441 106.912 -0.471 18681 4842 1 7 . 1 1 75 75 GLY CA C 75 47.098 47.098 46.127 0.971 18681 4843 1 7 . 1 1 75 75 GLY H H 75 7.420 7.420 8.127 -0.707 18681 4844 1 7 . 1 1 76 76 ASP N N 76 121.520 121.520 126.896 -5.376 18681 4845 1 7 . 1 1 76 76 ASP HA H 76 4.533 4.533 4.704 -0.171 18681 4846 1 7 . 1 1 76 76 ASP CA C 76 53.148 53.148 53.275 -0.127 18681 4847 1 7 . 1 1 76 76 ASP CB C 76 39.714 39.714 39.974 -0.259 18681 4848 1 7 . 1 1 76 76 ASP H H 76 8.332 8.332 8.259 0.073 18681 4849 1 7 . 1 1 77 77 ASN N N 77 121.250 121.250 122.592 -1.342 18681 4850 1 7 . 1 1 77 77 ASN HA H 77 4.489 4.489 4.913 -0.424 18681 4851 1 7 . 1 1 77 77 ASN CA C 77 54.063 54.063 52.578 1.485 18681 4852 1 7 . 1 1 77 77 ASN CB C 77 40.058 40.058 41.765 -1.707 18681 4853 1 7 . 1 1 77 77 ASN H H 77 7.725 7.725 7.864 -0.139 18681 4854 1 7 . 1 1 78 78 GLU N N 78 129.390 129.390 126.912 2.478 18681 4855 1 7 . 1 1 78 78 GLU HA H 78 4.225 4.225 4.005 0.220 18681 4856 1 7 . 1 1 78 78 GLU CA C 78 58.888 58.888 59.961 -1.073 18681 4857 1 7 . 1 1 78 78 GLU CB C 78 29.698 29.698 30.021 -0.323 18681 4858 1 7 . 1 1 78 78 GLU H H 78 9.282 9.282 9.010 0.272 18681 4859 1 7 . 1 1 79 79 ALA N N 79 116.576 116.576 121.458 -4.882 18681 4860 1 7 . 1 1 79 79 ALA HA H 79 4.079 4.079 4.177 -0.098 18681 4861 1 7 . 1 1 79 79 ALA CA C 79 53.222 53.222 54.958 -1.736 18681 4862 1 7 . 1 1 79 79 ALA CB C 79 19.347 19.347 18.229 1.118 18681 4863 1 7 . 1 1 79 79 ALA H H 79 8.285 8.285 8.358 -0.073 18681 4864 1 7 . 1 1 80 80 ILE N N 80 116.410 116.410 117.300 -0.890 18681 4865 1 7 . 1 1 80 80 ILE HA H 80 4.043 4.043 3.682 0.361 18681 4866 1 7 . 1 1 80 80 ILE CA C 80 59.695 59.695 63.596 -3.901 18681 4867 1 7 . 1 1 80 80 ILE CB C 80 36.642 36.642 37.187 -0.545 18681 4868 1 7 . 1 1 80 80 ILE H H 80 7.857 7.857 7.845 0.012 18681 4869 1 7 . 1 1 81 81 THR N N 81 110.649 110.649 110.828 -0.179 18681 4870 1 7 . 1 1 81 81 THR HA H 81 4.079 4.079 4.113 -0.034 18681 4871 1 7 . 1 1 81 81 THR CA C 81 63.509 63.509 63.694 -0.185 18681 4872 1 7 . 1 1 81 81 THR CB C 81 68.764 68.764 69.471 -0.707 18681 4873 1 7 . 1 1 81 81 THR H H 81 7.869 7.869 7.856 0.013 18681 4874 1 7 . 1 1 82 82 GLN N N 82 120.522 120.522 122.288 -1.766 18681 4875 1 7 . 1 1 82 82 GLN HA H 82 4.743 4.743 4.507 0.236 18681 4876 1 7 . 1 1 82 82 GLN CB C 82 29.184 29.184 29.664 -0.480 18681 4877 1 7 . 1 1 82 82 GLN H H 82 8.016 8.016 8.039 -0.023 18681 4878 1 7 . 1 1 83 83 GLU N N 83 126.907 126.907 127.044 -0.137 18681 4879 1 7 . 1 1 83 83 GLU HA H 83 4.011 4.011 4.317 -0.306 18681 4880 1 7 . 1 1 83 83 GLU CA C 83 60.736 60.736 59.199 1.537 18681 4881 1 7 . 1 1 83 83 GLU CB C 83 29.353 29.353 29.433 -0.080 18681 4882 1 7 . 1 1 83 83 GLU H H 83 9.146 9.146 9.111 0.035 18681 4883 1 7 . 1 1 84 84 ILE N N 84 115.693 115.693 115.850 -0.157 18681 4884 1 7 . 1 1 84 84 ILE HA H 84 3.764 3.764 3.652 0.112 18681 4885 1 7 . 1 1 84 84 ILE CA C 84 63.908 63.908 64.404 -0.496 18681 4886 1 7 . 1 1 84 84 ILE CB C 84 37.762 37.762 36.848 0.914 18681 4887 1 7 . 1 1 84 84 ILE H H 84 8.460 8.460 7.935 0.525 18681 4888 1 7 . 1 1 85 85 VAL N N 85 123.415 123.415 121.303 2.112 18681 4889 1 7 . 1 1 85 85 VAL HA H 85 3.714 3.714 3.616 0.098 18681 4890 1 7 . 1 1 85 85 VAL CA C 85 65.226 65.226 66.111 -0.885 18681 4891 1 7 . 1 1 85 85 VAL CB C 85 31.142 31.142 31.325 -0.183 18681 4892 1 7 . 1 1 85 85 VAL H H 85 7.034 7.034 7.800 -0.766 18681 4893 1 7 . 1 1 86 86 GLY N N 86 110.422 110.422 106.974 3.448 18681 4894 1 7 . 1 1 86 86 GLY CA C 86 49.167 49.167 47.160 2.007 18681 4895 1 7 . 1 1 86 86 GLY H H 86 8.139 8.139 7.940 0.199 18681 4896 1 7 . 1 1 87 87 CYS N N 87 121.087 121.087 120.806 0.281 18681 4897 1 7 . 1 1 87 87 CYS HA H 87 2.923 2.923 3.919 -0.996 18681 4898 1 7 . 1 1 87 87 CYS CA C 87 62.064 62.064 62.654 -0.590 18681 4899 1 7 . 1 1 87 87 CYS CB C 87 25.682 25.682 27.121 -1.439 18681 4900 1 7 . 1 1 87 87 CYS H H 87 8.052 8.052 8.273 -0.221 18681 4901 1 7 . 1 1 88 88 ALA N N 88 119.739 119.739 121.923 -2.184 18681 4902 1 7 . 1 1 88 88 ALA HA H 88 4.109 4.109 3.904 0.205 18681 4903 1 7 . 1 1 88 88 ALA CA C 88 54.895 54.895 55.089 -0.194 18681 4904 1 7 . 1 1 88 88 ALA CB C 88 17.680 17.680 17.896 -0.216 18681 4905 1 7 . 1 1 88 88 ALA H H 88 7.230 7.230 8.225 -0.995 18681 4906 1 7 . 1 1 89 89 HIS N N 89 118.056 118.056 118.979 -0.923 18681 4907 1 7 . 1 1 89 89 HIS HA H 89 4.172 4.172 4.294 -0.122 18681 4908 1 7 . 1 1 89 89 HIS CA C 89 59.587 59.587 60.043 -0.456 18681 4909 1 7 . 1 1 89 89 HIS CB C 89 30.446 30.446 30.009 0.437 18681 4910 1 7 . 1 1 89 89 HIS H H 89 8.190 8.190 7.756 0.434 18681 4911 1 7 . 1 1 90 90 LEU N N 90 120.375 120.375 119.751 0.624 18681 4912 1 7 . 1 1 90 90 LEU HA H 90 3.953 3.953 3.872 0.081 18681 4913 1 7 . 1 1 90 90 LEU CA C 90 57.959 57.959 58.291 -0.332 18681 4914 1 7 . 1 1 90 90 LEU CB C 90 41.434 41.434 41.614 -0.180 18681 4915 1 7 . 1 1 90 90 LEU H H 90 8.115 8.115 8.015 0.100 18681 4916 1 7 . 1 1 91 91 GLU N N 91 119.711 119.711 119.713 -0.002 18681 4917 1 7 . 1 1 91 91 GLU HA H 91 3.801 3.801 3.787 0.014 18681 4918 1 7 . 1 1 91 91 GLU CA C 91 60.130 60.130 59.863 0.267 18681 4919 1 7 . 1 1 91 91 GLU CB C 91 29.870 29.870 29.458 0.412 18681 4920 1 7 . 1 1 91 91 GLU H H 91 9.186 9.186 8.169 1.017 18681 4921 1 7 . 1 1 92 92 ASN N N 92 116.626 116.626 117.902 -1.276 18681 4922 1 7 . 1 1 92 92 ASN HA H 92 4.411 4.411 4.398 0.013 18681 4923 1 7 . 1 1 92 92 ASN CA C 92 56.280 56.280 56.243 0.037 18681 4924 1 7 . 1 1 92 92 ASN CB C 92 38.464 38.464 38.620 -0.156 18681 4925 1 7 . 1 1 92 92 ASN H H 92 8.392 8.392 7.878 0.514 18681 4926 1 7 . 1 1 93 93 TYR N N 93 121.123 121.123 120.475 0.648 18681 4927 1 7 . 1 1 93 93 TYR HA H 93 4.465 4.465 4.035 0.430 18681 4928 1 7 . 1 1 93 93 TYR CA C 93 59.339 59.339 61.631 -2.292 18681 4929 1 7 . 1 1 93 93 TYR CB C 93 38.593 38.593 37.992 0.601 18681 4930 1 7 . 1 1 93 93 TYR H H 93 7.742 7.742 8.010 -0.268 18681 4931 1 7 . 1 1 94 94 ALA N N 94 120.589 120.589 121.425 -0.836 18681 4932 1 7 . 1 1 94 94 ALA HA H 94 3.742 3.742 3.960 -0.218 18681 4933 1 7 . 1 1 94 94 ALA CA C 94 55.340 55.340 55.261 0.079 18681 4934 1 7 . 1 1 94 94 ALA CB C 94 17.779 17.779 18.340 -0.561 18681 4935 1 7 . 1 1 94 94 ALA H H 94 8.811 8.811 8.186 0.625 18681 4936 1 7 . 1 1 95 95 LEU HA H 95 4.132 4.132 3.927 0.205 18681 4937 1 7 . 1 1 95 95 LEU CB C 95 40.964 40.964 40.850 0.114 18681 4938 1 7 . 1 1 95 95 LEU H H 95 8.345 8.345 7.766 0.579 18681 4939 1 7 . 1 1 96 96 LYS N N 96 119.704 119.704 119.362 0.342 18681 4940 1 7 . 1 1 96 96 LYS HA H 96 3.971 3.971 3.981 -0.010 18681 4941 1 7 . 1 1 96 96 LYS CA C 96 59.877 59.877 59.255 0.622 18681 4942 1 7 . 1 1 96 96 LYS CB C 96 32.096 32.096 32.077 0.019 18681 4943 1 7 . 1 1 96 96 LYS H H 96 8.057 8.057 8.235 -0.178 18681 4944 1 7 . 1 1 97 97 MET N N 97 119.269 119.269 118.542 0.727 18681 4945 1 7 . 1 1 97 97 MET HA H 97 4.146 4.146 4.126 0.020 18681 4946 1 7 . 1 1 97 97 MET CA C 97 59.020 59.020 59.071 -0.051 18681 4947 1 7 . 1 1 97 97 MET CB C 97 32.949 32.949 32.722 0.227 18681 4948 1 7 . 1 1 97 97 MET H H 97 7.791 7.791 7.970 -0.179 18681 4949 1 7 . 1 1 98 98 PHE N N 98 120.493 120.493 121.201 -0.708 18681 4950 1 7 . 1 1 98 98 PHE HA H 98 3.686 3.686 4.141 -0.455 18681 4951 1 7 . 1 1 98 98 PHE CA C 98 62.257 62.257 62.295 -0.038 18681 4952 1 7 . 1 1 98 98 PHE CB C 98 39.929 39.929 39.167 0.762 18681 4953 1 7 . 1 1 98 98 PHE H H 98 8.584 8.584 8.516 0.068 18681 4954 1 7 . 1 1 99 99 LEU N N 99 118.196 118.196 119.071 -0.875 18681 4955 1 7 . 1 1 99 99 LEU HA H 99 3.923 3.923 3.940 -0.017 18681 4956 1 7 . 1 1 99 99 LEU CA C 99 57.670 57.670 58.208 -0.538 18681 4957 1 7 . 1 1 99 99 LEU CB C 99 41.371 41.371 41.631 -0.260 18681 4958 1 7 . 1 1 99 99 LEU H H 99 9.148 9.148 8.412 0.736 18681 4959 1 7 . 1 1 100 100 TYR N N 100 119.695 119.695 120.264 -0.569 18681 4960 1 7 . 1 1 100 100 TYR HA H 100 4.179 4.179 3.890 0.289 18681 4961 1 7 . 1 1 100 100 TYR CA C 100 60.511 60.511 62.075 -1.564 18681 4962 1 7 . 1 1 100 100 TYR CB C 100 37.397 37.397 38.138 -0.741 18681 4963 1 7 . 1 1 100 100 TYR H H 100 7.699 7.699 7.984 -0.285 18681 4964 1 7 . 1 1 101 101 ALA N N 101 123.078 123.078 121.824 1.254 18681 4965 1 7 . 1 1 101 101 ALA HA H 101 2.916 2.916 3.719 -0.803 18681 4966 1 7 . 1 1 101 101 ALA CA C 101 55.042 55.042 54.548 0.494 18681 4967 1 7 . 1 1 101 101 ALA CB C 101 16.049 16.049 17.537 -1.488 18681 4968 1 7 . 1 1 101 101 ALA H H 101 7.385 7.385 7.981 -0.596 18681 4969 1 7 . 1 1 102 102 ASP N N 102 117.073 117.073 118.306 -1.233 18681 4970 1 7 . 1 1 102 102 ASP HA H 102 4.287 4.287 4.323 -0.036 18681 4971 1 7 . 1 1 102 102 ASP CA C 102 57.049 57.049 57.532 -0.483 18681 4972 1 7 . 1 1 102 102 ASP CB C 102 42.898 42.898 41.001 1.897 18681 4973 1 7 . 1 1 102 102 ASP H H 102 8.539 8.539 7.836 0.703 18681 4974 1 7 . 1 1 103 103 ASN N N 103 116.630 116.630 117.874 -1.244 18681 4975 1 7 . 1 1 103 103 ASN HA H 103 4.264 4.264 4.354 -0.090 18681 4976 1 7 . 1 1 103 103 ASN CA C 103 56.386 56.386 55.834 0.552 18681 4977 1 7 . 1 1 103 103 ASN CB C 103 38.332 38.332 38.023 0.309 18681 4978 1 7 . 1 1 103 103 ASN H H 103 7.970 7.970 8.343 -0.373 18681 4979 1 7 . 1 1 104 104 GLU N N 104 118.811 118.811 119.595 -0.784 18681 4980 1 7 . 1 1 104 104 GLU HA H 104 3.619 3.619 3.852 -0.233 18681 4981 1 7 . 1 1 104 104 GLU CA C 104 58.982 58.982 58.835 0.147 18681 4982 1 7 . 1 1 104 104 GLU H H 104 7.474 7.474 7.916 -0.442 18681 4983 1 7 . 1 1 105 105 ASP N N 105 120.013 120.013 119.907 0.106 18681 4984 1 7 . 1 1 105 105 ASP HA H 105 3.818 3.818 4.346 -0.528 18681 4985 1 7 . 1 1 105 105 ASP CA C 105 57.508 57.508 56.974 0.534 18681 4986 1 7 . 1 1 105 105 ASP CB C 105 43.738 43.738 40.960 2.778 18681 4987 1 7 . 1 1 105 105 ASP H H 105 8.212 8.212 7.694 0.518 18681 4988 1 7 . 1 1 106 106 ARG N N 106 116.747 116.747 119.952 -3.205 18681 4989 1 7 . 1 1 106 106 ARG HA H 106 3.804 3.804 4.096 -0.292 18681 4990 1 7 . 1 1 106 106 ARG CA C 106 59.150 59.150 58.378 0.772 18681 4991 1 7 . 1 1 106 106 ARG CB C 106 30.083 30.083 30.207 -0.124 18681 4992 1 7 . 1 1 106 106 ARG H H 106 8.532 8.532 7.663 0.869 18681 4993 1 7 . 1 1 107 107 ALA N N 107 119.388 119.388 118.066 1.322 18681 4994 1 7 . 1 1 107 107 ALA HA H 107 4.232 4.232 4.066 0.166 18681 4995 1 7 . 1 1 107 107 ALA CA C 107 51.407 51.407 53.095 -1.688 18681 4996 1 7 . 1 1 107 107 ALA CB C 107 18.572 18.572 18.718 -0.146 18681 4997 1 7 . 1 1 107 107 ALA H H 107 7.302 7.302 7.330 -0.028 18681 4998 1 7 . 1 1 108 108 GLY N N 108 108.840 108.840 104.954 3.886 18681 4999 1 7 . 1 1 108 108 GLY CA C 108 45.735 45.735 44.818 0.917 18681 5000 1 7 . 1 1 108 108 GLY H H 108 7.905 7.905 7.623 0.282 18681 5001 1 7 . 1 1 109 109 ARG N N 109 121.140 121.140 121.336 -0.196 18681 5002 1 7 . 1 1 109 109 ARG HA H 109 4.126 4.126 4.213 -0.087 18681 5003 1 7 . 1 1 109 109 ARG CA C 109 55.361 55.361 55.165 0.196 18681 5004 1 7 . 1 1 109 109 ARG H H 109 7.642 7.642 7.686 -0.044 18681 5005 1 7 . 1 1 110 110 PHE N N 110 119.534 119.534 120.433 -0.899 18681 5006 1 7 . 1 1 110 110 PHE HA H 110 4.950 4.950 4.764 0.186 18681 5007 1 7 . 1 1 110 110 PHE CA C 110 55.415 55.415 57.204 -1.789 18681 5008 1 7 . 1 1 110 110 PHE H H 110 7.644 7.644 8.353 -0.709 18681 5009 1 7 . 1 1 111 111 HIS N N 111 116.408 116.408 123.501 -7.093 18681 5010 1 7 . 1 1 111 111 HIS HA H 111 4.757 4.757 4.796 -0.039 18681 5011 1 7 . 1 1 111 111 HIS CB C 111 32.022 32.022 32.721 -0.699 18681 5012 1 7 . 1 1 111 111 HIS H H 111 6.789 6.789 8.370 -1.581 18681 5013 1 7 . 1 1 112 112 LYS N N 112 119.836 119.836 122.440 -2.604 18681 5014 1 7 . 1 1 112 112 LYS HA H 112 4.059 4.059 4.030 0.029 18681 5015 1 7 . 1 1 112 112 LYS H H 112 8.267 8.267 8.555 -0.288 18681 5016 1 7 . 1 1 113 113 ASN N N 113 118.047 118.047 118.953 -0.906 18681 5017 1 7 . 1 1 113 113 ASN HA H 113 4.737 4.737 4.548 0.189 18681 5018 1 7 . 1 1 113 113 ASN CB C 113 38.295 38.295 38.749 -0.454 18681 5019 1 7 . 1 1 113 113 ASN H H 113 8.831 8.831 8.013 0.818 18681 5020 1 7 . 1 1 114 114 MET N N 114 119.081 119.081 118.687 0.394 18681 5021 1 7 . 1 1 114 114 MET HA H 114 4.379 4.379 4.229 0.150 18681 5022 1 7 . 1 1 114 114 MET CA C 114 58.194 58.194 58.501 -0.307 18681 5023 1 7 . 1 1 114 114 MET H H 114 8.520 8.520 8.181 0.339 18681 5024 1 7 . 1 1 115 115 ILE N N 115 125.193 125.193 119.537 5.656 18681 5025 1 7 . 1 1 115 115 ILE HA H 115 3.651 3.651 3.970 -0.320 18681 5026 1 7 . 1 1 115 115 ILE CA C 115 66.869 66.869 63.934 2.935 18681 5027 1 7 . 1 1 115 115 ILE CB C 115 39.162 39.162 36.110 3.052 18681 5028 1 7 . 1 1 115 115 ILE H H 115 7.737 7.737 7.978 -0.241 18681 5029 1 7 . 1 1 116 116 LYS N N 116 118.190 118.190 120.260 -2.070 18681 5030 1 7 . 1 1 116 116 LYS HA H 116 4.150 4.150 4.051 0.099 18681 5031 1 7 . 1 1 116 116 LYS CA C 116 59.379 59.379 60.215 -0.836 18681 5032 1 7 . 1 1 116 116 LYS CB C 116 32.097 32.097 32.440 -0.343 18681 5033 1 7 . 1 1 116 116 LYS H H 116 8.393 8.393 8.016 0.377 18681 5034 1 7 . 1 1 117 117 SER N N 117 117.471 117.471 116.150 1.321 18681 5035 1 7 . 1 1 117 117 SER HA H 117 4.096 4.096 4.226 -0.130 18681 5036 1 7 . 1 1 117 117 SER CA C 117 63.167 63.167 61.856 1.311 18681 5037 1 7 . 1 1 117 117 SER CB C 117 63.135 63.135 62.352 0.783 18681 5038 1 7 . 1 1 117 117 SER H H 117 8.138 8.138 8.482 -0.344 18681 5039 1 7 . 1 1 118 118 PHE N N 118 121.885 121.885 121.823 0.062 18681 5040 1 7 . 1 1 118 118 PHE HA H 118 4.408 4.408 4.234 0.174 18681 5041 1 7 . 1 1 118 118 PHE CA C 118 61.176 61.176 61.967 -0.791 18681 5042 1 7 . 1 1 118 118 PHE CB C 118 38.889 38.889 38.405 0.484 18681 5043 1 7 . 1 1 118 118 PHE H H 118 8.168 8.168 7.933 0.235 18681 5044 1 7 . 1 1 119 119 TYR N N 119 118.356 118.356 120.810 -2.454 18681 5045 1 7 . 1 1 119 119 TYR HA H 119 3.935 3.935 4.252 -0.317 18681 5046 1 7 . 1 1 119 119 TYR CA C 119 62.261 62.261 61.655 0.606 18681 5047 1 7 . 1 1 119 119 TYR CB C 119 38.498 38.498 38.436 0.062 18681 5048 1 7 . 1 1 119 119 TYR H H 119 8.693 8.693 8.543 0.150 18681 5049 1 7 . 1 1 120 120 THR N N 120 117.468 117.468 116.481 0.987 18681 5050 1 7 . 1 1 120 120 THR HA H 120 3.705 3.705 3.840 -0.135 18681 5051 1 7 . 1 1 120 120 THR CA C 120 67.393 67.393 67.387 0.006 18681 5052 1 7 . 1 1 120 120 THR CB C 120 68.041 68.041 68.254 -0.213 18681 5053 1 7 . 1 1 120 120 THR H H 120 9.582 9.582 8.642 0.940 18681 5054 1 7 . 1 1 121 121 ALA N N 121 124.210 124.210 124.208 0.002 18681 5055 1 7 . 1 1 121 121 ALA HA H 121 3.940 3.940 4.001 -0.061 18681 5056 1 7 . 1 1 121 121 ALA CA C 121 56.508 56.508 55.284 1.224 18681 5057 1 7 . 1 1 121 121 ALA CB C 121 17.325 17.325 18.251 -0.926 18681 5058 1 7 . 1 1 121 121 ALA H H 121 8.444 8.444 7.906 0.538 18681 5059 1 7 . 1 1 122 122 SER N N 122 111.334 111.334 114.655 -3.321 18681 5060 1 7 . 1 1 122 122 SER HA H 122 4.009 4.009 4.080 -0.071 18681 5061 1 7 . 1 1 122 122 SER CA C 122 62.531 62.531 61.317 1.214 18681 5062 1 7 . 1 1 122 122 SER CB C 122 63.051 63.051 62.900 0.151 18681 5063 1 7 . 1 1 122 122 SER H H 122 7.724 7.724 7.835 -0.111 18681 5064 1 7 . 1 1 123 123 LEU N N 123 122.307 122.307 123.358 -1.051 18681 5065 1 7 . 1 1 123 123 LEU HA H 123 4.092 4.092 3.842 0.250 18681 5066 1 7 . 1 1 123 123 LEU CA C 123 57.100 57.100 57.390 -0.290 18681 5067 1 7 . 1 1 123 123 LEU CB C 123 41.615 41.615 41.461 0.154 18681 5068 1 7 . 1 1 123 123 LEU H H 123 7.507 7.507 7.620 -0.113 18681 5069 1 7 . 1 1 124 124 LEU N N 124 117.851 117.851 119.942 -2.091 18681 5070 1 7 . 1 1 124 124 LEU HA H 124 3.935 3.935 3.897 0.038 18681 5071 1 7 . 1 1 124 124 LEU CA C 124 56.967 56.967 58.082 -1.115 18681 5072 1 7 . 1 1 124 124 LEU CB C 124 41.832 41.832 41.917 -0.085 18681 5073 1 7 . 1 1 124 124 LEU H H 124 8.457 8.457 7.732 0.725 18681 5074 1 7 . 1 1 125 125 ILE N N 125 118.695 118.695 119.958 -1.263 18681 5075 1 7 . 1 1 125 125 ILE HA H 125 3.718 3.718 3.593 0.125 18681 5076 1 7 . 1 1 125 125 ILE CA C 125 65.097 65.097 64.879 0.218 18681 5077 1 7 . 1 1 125 125 ILE CB C 125 36.775 36.775 36.650 0.125 18681 5078 1 7 . 1 1 125 125 ILE H H 125 7.766 7.766 8.022 -0.256 18681 5079 1 7 . 1 1 126 126 ASP N N 126 117.428 117.428 120.060 -2.632 18681 5080 1 7 . 1 1 126 126 ASP HA H 126 4.128 4.128 4.377 -0.249 18681 5081 1 7 . 1 1 126 126 ASP CA C 126 57.998 57.998 57.041 0.957 18681 5082 1 7 . 1 1 126 126 ASP CB C 126 39.372 39.372 39.964 -0.592 18681 5083 1 7 . 1 1 126 126 ASP H H 126 7.288 7.288 7.723 -0.435 18681 5084 1 7 . 1 1 127 127 VAL N N 127 120.003 120.003 117.589 2.414 18681 5085 1 7 . 1 1 127 127 VAL HA H 127 2.992 2.992 3.743 -0.751 18681 5086 1 7 . 1 1 127 127 VAL CA C 127 65.615 65.615 65.410 0.205 18681 5087 1 7 . 1 1 127 127 VAL CB C 127 30.498 30.498 31.340 -0.842 18681 5088 1 7 . 1 1 127 127 VAL H H 127 7.366 7.366 7.391 -0.025 18681 5089 1 7 . 1 1 128 128 ILE N N 128 117.743 117.743 116.713 1.030 18681 5090 1 7 . 1 1 128 128 ILE HA H 128 3.956 3.956 4.175 -0.219 18681 5091 1 7 . 1 1 128 128 ILE CA C 128 64.219 64.219 63.938 0.281 18681 5092 1 7 . 1 1 128 128 ILE CB C 128 37.930 37.930 38.558 -0.628 18681 5093 1 7 . 1 1 128 128 ILE H H 128 7.727 7.727 7.475 0.252 18681 5094 1 7 . 1 1 129 129 THR N N 129 114.535 114.535 115.686 -1.151 18681 5095 1 7 . 1 1 129 129 THR HA H 129 4.638 4.638 4.145 0.493 18681 5096 1 7 . 1 1 129 129 THR CA C 129 64.808 64.808 65.551 -0.743 18681 5097 1 7 . 1 1 129 129 THR CB C 129 69.759 69.759 68.165 1.594 18681 5098 1 7 . 1 1 129 129 THR H H 129 7.873 7.873 8.106 -0.233 18681 5099 1 7 . 1 1 130 130 VAL N N 130 118.351 118.351 118.220 0.131 18681 5100 1 7 . 1 1 130 130 VAL HA H 130 4.014 4.014 3.698 0.316 18681 5101 1 7 . 1 1 130 130 VAL CA C 130 64.220 64.220 65.250 -1.030 18681 5102 1 7 . 1 1 130 130 VAL CB C 130 31.307 31.307 30.729 0.578 18681 5103 1 7 . 1 1 130 130 VAL H H 130 8.381 8.381 7.629 0.752 18681 5104 1 7 . 1 1 131 131 PHE N N 131 117.227 117.227 120.491 -3.264 18681 5105 1 7 . 1 1 131 131 PHE HA H 131 4.567 4.567 4.428 0.139 18681 5106 1 7 . 1 1 131 131 PHE CA C 131 57.840 57.840 59.659 -1.819 18681 5107 1 7 . 1 1 131 131 PHE CB C 131 39.029 39.029 39.112 -0.083 18681 5108 1 7 . 1 1 131 131 PHE H H 131 7.638 7.638 7.830 -0.192 18681 5109 1 7 . 1 1 132 132 GLY N N 132 106.811 106.811 105.504 1.307 18681 5110 1 7 . 1 1 132 132 GLY CA C 132 43.921 43.921 45.276 -1.355 18681 5111 1 7 . 1 1 132 132 GLY H H 132 7.433 7.433 8.097 -0.664 18681 5112 1 7 . 1 1 133 133 GLU N N 133 119.340 119.340 120.983 -1.643 18681 5113 1 7 . 1 1 133 133 GLU HA H 133 4.082 4.082 4.580 -0.498 18681 5114 1 7 . 1 1 133 133 GLU CA C 133 56.504 56.504 55.837 0.667 18681 5115 1 7 . 1 1 133 133 GLU CB C 133 30.184 30.184 30.336 -0.152 18681 5116 1 7 . 1 1 133 133 GLU H H 133 8.278 8.278 8.300 -0.022 18681 5117 1 7 . 1 1 134 134 LEU N N 134 122.134 122.134 124.947 -2.813 18681 5118 1 7 . 1 1 134 134 LEU HA H 134 4.405 4.405 4.612 -0.207 18681 5119 1 7 . 1 1 134 134 LEU CA C 134 54.169 54.169 54.123 0.046 18681 5120 1 7 . 1 1 134 134 LEU CB C 134 43.997 43.997 44.093 -0.096 18681 5121 1 7 . 1 1 134 134 LEU H H 134 8.410 8.410 8.452 -0.042 18681 5122 1 7 . 1 1 135 135 THR N N 135 112.032 112.032 116.070 -4.038 18681 5123 1 7 . 1 1 135 135 THR HA H 135 4.220 4.220 4.521 -0.301 18681 5124 1 7 . 1 1 135 135 THR CA C 135 60.449 60.449 60.390 0.059 18681 5125 1 7 . 1 1 135 135 THR CB C 135 70.386 70.386 71.015 -0.629 18681 5126 1 7 . 1 1 135 135 THR H H 135 8.192 8.192 8.334 -0.142 18681 5127 1 7 . 1 1 136 136 ASP N N 136 121.429 121.429 127.227 -5.798 18681 5128 1 7 . 1 1 136 136 ASP HA H 136 4.191 4.191 4.352 -0.161 18681 5129 1 7 . 1 1 136 136 ASP CA C 136 57.415 57.415 57.464 -0.049 18681 5130 1 7 . 1 1 136 136 ASP CB C 136 40.518 40.518 40.723 -0.205 18681 5131 1 7 . 1 1 136 136 ASP H H 136 8.793 8.793 8.918 -0.125 18681 5132 1 7 . 1 1 137 137 GLU N N 137 117.727 117.727 119.423 -1.696 18681 5133 1 7 . 1 1 137 137 GLU HA H 137 3.670 3.670 4.032 -0.362 18681 5134 1 7 . 1 1 137 137 GLU CA C 137 59.503 59.503 59.544 -0.041 18681 5135 1 7 . 1 1 137 137 GLU CB C 137 29.175 29.175 29.306 -0.131 18681 5136 1 7 . 1 1 137 137 GLU H H 137 8.427 8.427 7.940 0.487 18681 5137 1 7 . 1 1 138 138 ASN N N 138 118.528 118.528 118.567 -0.039 18681 5138 1 7 . 1 1 138 138 ASN HA H 138 4.488 4.488 4.447 0.041 18681 5139 1 7 . 1 1 138 138 ASN CA C 138 55.536 55.536 56.110 -0.574 18681 5140 1 7 . 1 1 138 138 ASN CB C 138 37.903 37.903 38.528 -0.625 18681 5141 1 7 . 1 1 138 138 ASN H H 138 7.504 7.504 7.702 -0.198 18681 5142 1 7 . 1 1 139 139 VAL N N 139 122.269 122.269 120.623 1.646 18681 5143 1 7 . 1 1 139 139 VAL HA H 139 3.383 3.383 3.582 -0.199 18681 5144 1 7 . 1 1 139 139 VAL CA C 139 67.168 67.168 66.861 0.307 18681 5145 1 7 . 1 1 139 139 VAL CB C 139 31.765 31.765 31.522 0.243 18681 5146 1 7 . 1 1 139 139 VAL H H 139 8.249 8.249 8.092 0.157 18681 5147 1 7 . 1 1 140 140 LYS HA H 140 3.947 3.947 3.946 0.001 18681 5148 1 7 . 1 1 140 140 LYS CA C 140 59.691 59.691 59.871 -0.180 18681 5149 1 7 . 1 1 140 140 LYS CB C 140 32.044 32.044 32.114 -0.070 18681 5150 1 7 . 1 1 140 140 LYS H H 140 7.994 7.994 8.111 -0.117 18681 5151 1 7 . 1 1 141 141 HIS N N 141 117.389 117.389 118.404 -1.015 18681 5152 1 7 . 1 1 141 141 HIS HA H 141 4.296 4.296 4.340 -0.044 18681 5153 1 7 . 1 1 141 141 HIS CA C 141 57.657 57.657 59.998 -2.341 18681 5154 1 7 . 1 1 141 141 HIS CB C 141 28.500 28.500 29.854 -1.354 18681 5155 1 7 . 1 1 141 141 HIS H H 141 8.491 8.491 8.317 0.174 18681 5156 1 7 . 1 1 142 142 ARG HA H 142 3.728 3.728 3.936 -0.208 18681 5157 1 7 . 1 1 142 142 ARG CA C 142 61.356 61.356 60.001 1.355 18681 5158 1 7 . 1 1 142 142 ARG H H 142 8.529 8.529 8.410 0.119 18681 5159 1 7 . 1 1 143 143 LYS N N 143 117.710 117.710 118.134 -0.424 18681 5160 1 7 . 1 1 143 143 LYS HA H 143 4.050 4.050 3.558 0.492 18681 5161 1 7 . 1 1 143 143 LYS CA C 143 59.368 59.368 58.347 1.021 18681 5162 1 7 . 1 1 143 143 LYS CB C 143 32.794 32.794 31.507 1.287 18681 5163 1 7 . 1 1 143 143 LYS H H 143 7.664 7.664 7.742 -0.078 18681 5164 1 7 . 1 1 144 144 TYR HA H 144 4.275 4.275 4.108 0.167 18681 5165 1 7 . 1 1 144 144 TYR CA C 144 62.445 62.445 61.816 0.629 18681 5166 1 7 . 1 1 144 144 TYR CB C 144 39.542 39.542 38.455 1.087 18681 5167 1 7 . 1 1 144 144 TYR H H 144 8.269 8.269 8.255 0.014 18681 5168 1 7 . 1 1 145 145 ALA N N 145 118.744 118.744 120.668 -1.924 18681 5169 1 7 . 1 1 145 145 ALA HA H 145 3.667 3.667 3.906 -0.239 18681 5170 1 7 . 1 1 145 145 ALA CA C 145 54.777 54.777 54.960 -0.183 18681 5171 1 7 . 1 1 145 145 ALA CB C 145 18.761 18.761 18.228 0.533 18681 5172 1 7 . 1 1 145 145 ALA H H 145 8.825 8.825 8.723 0.102 18681 5173 1 7 . 1 1 146 146 ARG N N 146 116.092 116.092 119.710 -3.618 18681 5174 1 7 . 1 1 146 146 ARG HA H 146 3.865 3.865 3.937 -0.072 18681 5175 1 7 . 1 1 146 146 ARG CA C 146 59.666 59.666 59.843 -0.177 18681 5176 1 7 . 1 1 146 146 ARG CB C 146 30.400 30.400 30.029 0.371 18681 5177 1 7 . 1 1 146 146 ARG H H 146 8.024 8.024 7.762 0.262 18681 5178 1 7 . 1 1 147 147 TRP N N 147 119.666 119.666 118.778 0.888 18681 5179 1 7 . 1 1 147 147 TRP HA H 147 4.224 4.224 4.444 -0.220 18681 5180 1 7 . 1 1 147 147 TRP CA C 147 60.996 60.996 59.216 1.780 18681 5181 1 7 . 1 1 147 147 TRP CB C 147 28.593 28.593 28.640 -0.046 18681 5182 1 7 . 1 1 147 147 TRP H H 147 8.014 8.014 7.533 0.481 18681 5183 1 7 . 1 1 148 148 LYS N N 148 118.775 118.775 119.218 -0.443 18681 5184 1 7 . 1 1 148 148 LYS HA H 148 3.212 3.212 3.817 -0.605 18681 5185 1 7 . 1 1 148 148 LYS CA C 148 58.399 58.399 59.074 -0.675 18681 5186 1 7 . 1 1 148 148 LYS CB C 148 30.846 30.846 31.389 -0.543 18681 5187 1 7 . 1 1 148 148 LYS H H 148 8.619 8.619 7.658 0.961 18681 5188 1 7 . 1 1 149 149 ALA HA H 149 3.889 3.889 4.095 -0.206 18681 5189 1 7 . 1 1 149 149 ALA CA C 149 55.906 55.906 55.386 0.520 18681 5190 1 7 . 1 1 149 149 ALA CB C 149 18.443 18.443 18.365 0.078 18681 5191 1 7 . 1 1 149 149 ALA H H 149 7.813 7.813 8.362 -0.549 18681 5192 1 7 . 1 1 150 150 THR N N 150 112.174 112.174 116.712 -4.538 18681 5193 1 7 . 1 1 150 150 THR HA H 150 3.721 3.721 4.075 -0.354 18681 5194 1 7 . 1 1 150 150 THR CA C 150 66.282 66.282 67.717 -1.435 18681 5195 1 7 . 1 1 150 150 THR CB C 150 68.853 68.853 68.956 -0.103 18681 5196 1 7 . 1 1 150 150 THR H H 150 7.232 7.232 7.931 -0.699 18681 5197 1 7 . 1 1 151 151 TYR N N 151 123.353 123.353 123.552 -0.199 18681 5198 1 7 . 1 1 151 151 TYR HA H 151 4.005 4.005 4.144 -0.139 18681 5199 1 7 . 1 1 151 151 TYR CA C 151 60.334 60.334 62.166 -1.831 18681 5200 1 7 . 1 1 151 151 TYR CB C 151 38.246 38.246 38.229 0.017 18681 5201 1 7 . 1 1 151 151 TYR H H 151 8.513 8.513 8.746 -0.233 18681 5202 1 7 . 1 1 152 152 ILE N N 152 119.933 119.933 118.366 1.567 18681 5203 1 7 . 1 1 152 152 ILE HA H 152 2.789 2.789 3.372 -0.583 18681 5204 1 7 . 1 1 152 152 ILE CA C 152 65.885 65.885 65.569 0.316 18681 5205 1 7 . 1 1 152 152 ILE CB C 152 38.194 38.194 37.814 0.380 18681 5206 1 7 . 1 1 152 152 ILE H H 152 8.860 8.860 8.268 0.592 18681 5207 1 7 . 1 1 153 153 HIS N N 153 117.221 117.221 119.521 -2.300 18681 5208 1 7 . 1 1 153 153 HIS HA H 153 3.957 3.957 4.145 -0.188 18681 5209 1 7 . 1 1 153 153 HIS CA C 153 60.290 60.290 60.648 -0.358 18681 5210 1 7 . 1 1 153 153 HIS CB C 153 30.363 30.363 29.831 0.532 18681 5211 1 7 . 1 1 153 153 HIS H H 153 7.757 7.757 8.012 -0.255 18681 5212 1 7 . 1 1 154 154 ASN N N 154 117.429 117.429 118.187 -0.758 18681 5213 1 7 . 1 1 154 154 ASN HA H 154 4.124 4.124 4.391 -0.267 18681 5214 1 7 . 1 1 154 154 ASN CA C 154 55.977 55.977 56.038 -0.061 18681 5215 1 7 . 1 1 154 154 ASN CB C 154 37.579 37.579 38.450 -0.872 18681 5216 1 7 . 1 1 154 154 ASN H H 154 8.355 8.355 8.805 -0.450 18681 5217 1 7 . 1 1 155 155 CYS N N 155 118.306 118.306 118.350 -0.044 18681 5218 1 7 . 1 1 155 155 CYS HA H 155 3.881 3.881 3.941 -0.060 18681 5219 1 7 . 1 1 155 155 CYS CA C 155 64.039 64.039 63.432 0.607 18681 5220 1 7 . 1 1 155 155 CYS CB C 155 26.124 26.124 26.225 -0.101 18681 5221 1 7 . 1 1 155 155 CYS H H 155 8.020 8.020 7.935 0.085 18681 5222 1 7 . 1 1 156 156 LEU N N 156 118.448 118.448 120.168 -1.720 18681 5223 1 7 . 1 1 156 156 LEU HA H 156 3.944 3.944 3.875 0.069 18681 5224 1 7 . 1 1 156 156 LEU CA C 156 57.844 57.844 57.598 0.246 18681 5225 1 7 . 1 1 156 156 LEU CB C 156 40.196 40.196 41.366 -1.170 18681 5226 1 7 . 1 1 156 156 LEU H H 156 8.139 8.139 7.972 0.167 18681 5227 1 7 . 1 1 157 157 LYS N N 157 120.180 120.180 121.292 -1.112 18681 5228 1 7 . 1 1 157 157 LYS HA H 157 3.896 3.896 3.873 0.023 18681 5229 1 7 . 1 1 157 157 LYS CA C 157 58.474 58.474 59.008 -0.534 18681 5230 1 7 . 1 1 157 157 LYS CB C 157 31.852 31.852 32.242 -0.391 18681 5231 1 7 . 1 1 157 157 LYS H H 157 7.912 7.912 8.238 -0.326 18681 5232 1 7 . 1 1 158 158 ASN N N 158 115.220 115.220 114.552 0.668 18681 5233 1 7 . 1 1 158 158 ASN HA H 158 4.730 4.730 4.722 0.008 18681 5234 1 7 . 1 1 158 158 ASN CB C 158 39.411 39.411 39.058 0.353 18681 5235 1 7 . 1 1 158 158 ASN H H 158 7.422 7.422 7.840 -0.418 18681 5236 1 7 . 1 1 159 159 GLY N N 159 108.815 108.815 107.380 1.435 18681 5237 1 7 . 1 1 159 159 GLY CA C 159 46.296 46.296 45.584 0.712 18681 5238 1 7 . 1 1 159 159 GLY H H 159 7.752 7.752 7.768 -0.016 18681 5239 1 7 . 1 1 160 160 GLU N N 160 119.601 119.601 120.237 -0.636 18681 5240 1 7 . 1 1 160 160 GLU HA H 160 4.421 4.421 4.386 0.035 18681 5241 1 7 . 1 1 160 160 GLU CA C 160 54.102 54.102 55.536 -1.434 18681 5242 1 7 . 1 1 160 160 GLU CB C 160 31.969 31.969 31.024 0.945 18681 5243 1 7 . 1 1 160 160 GLU H H 160 8.174 8.174 8.327 -0.153 18681 5244 1 7 . 1 1 161 161 THR N N 161 120.600 120.600 118.526 2.074 18681 5245 1 7 . 1 1 161 161 THR HA H 161 4.341 4.341 4.451 -0.110 18681 5246 1 7 . 1 1 161 161 THR CB C 161 69.624 69.624 68.699 0.925 18681 5247 1 7 . 1 1 161 161 THR H H 161 8.714 8.714 8.199 0.515 18681 5248 1 7 . 1 1 162 162 PRO HA H 162 4.277 4.277 4.342 -0.065 18681 5249 1 7 . 1 1 162 162 PRO CA C 162 61.790 61.790 62.464 -0.674 18681 5250 1 7 . 1 1 162 162 PRO CB C 162 31.178 31.178 32.207 -1.029 18681 5251 1 8 . 1 1 2 2 ALA N N 2 125.894 125.894 124.162 1.732 18681 5252 1 8 . 1 1 2 2 ALA HA H 2 4.192 4.192 4.528 -0.336 18681 5253 1 8 . 1 1 2 2 ALA CA C 2 52.096 52.096 51.859 0.237 18681 5254 1 8 . 1 1 2 2 ALA CB C 2 19.072 19.072 20.403 -1.331 18681 5255 1 8 . 1 1 2 2 ALA H H 2 8.413 8.413 7.947 0.466 18681 5256 1 8 . 1 1 3 3 ALA N N 3 123.543 123.543 126.042 -2.499 18681 5257 1 8 . 1 1 3 3 ALA HA H 3 4.226 4.226 4.619 -0.393 18681 5258 1 8 . 1 1 3 3 ALA CA C 3 51.943 51.943 51.521 0.422 18681 5259 1 8 . 1 1 3 3 ALA CB C 3 18.992 18.992 20.243 -1.251 18681 5260 1 8 . 1 1 3 3 ALA H H 3 8.233 8.233 8.169 0.064 18681 5261 1 8 . 1 1 4 4 LEU N N 4 121.641 121.641 121.041 0.600 18681 5262 1 8 . 1 1 4 4 LEU HA H 4 4.284 4.284 4.484 -0.200 18681 5263 1 8 . 1 1 4 4 LEU CA C 4 53.885 53.885 54.111 -0.226 18681 5264 1 8 . 1 1 4 4 LEU CB C 4 42.307 42.307 42.818 -0.511 18681 5265 1 8 . 1 1 4 4 LEU H H 4 8.114 8.114 8.409 -0.295 18681 5266 1 8 . 1 1 5 5 ALA N N 5 128.329 128.329 124.978 3.351 18681 5267 1 8 . 1 1 5 5 ALA HA H 5 4.453 4.453 4.444 0.009 18681 5268 1 8 . 1 1 5 5 ALA CA C 5 50.164 50.164 50.221 -0.057 18681 5269 1 8 . 1 1 5 5 ALA CB C 5 17.687 17.687 18.275 -0.588 18681 5270 1 8 . 1 1 5 5 ALA H H 5 8.623 8.623 8.090 0.533 18681 5271 1 8 . 1 1 6 6 PRO HA H 6 4.274 4.274 4.442 -0.168 18681 5272 1 8 . 1 1 6 6 PRO CA C 6 62.403 62.403 62.468 -0.065 18681 5273 1 8 . 1 1 6 6 PRO CB C 6 32.105 32.105 32.302 -0.197 18681 5274 1 8 . 1 1 7 7 LEU N N 7 122.228 122.228 122.829 -0.601 18681 5275 1 8 . 1 1 7 7 LEU HA H 7 4.324 4.324 4.615 -0.291 18681 5276 1 8 . 1 1 7 7 LEU CA C 7 52.914 52.914 51.740 1.174 18681 5277 1 8 . 1 1 7 7 LEU CB C 7 40.952 40.952 41.711 -0.759 18681 5278 1 8 . 1 1 7 7 LEU H H 7 8.264 8.264 8.089 0.175 18681 5279 1 8 . 1 1 8 8 PRO HA H 8 4.745 4.745 4.638 0.107 18681 5280 1 8 . 1 1 9 9 PRO HA H 9 4.200 4.200 4.309 -0.109 18681 5281 1 8 . 1 1 9 9 PRO CA C 9 62.648 62.648 63.582 -0.934 18681 5282 1 8 . 1 1 9 9 PRO CB C 9 31.646 31.646 32.211 -0.564 18681 5283 1 8 . 1 1 10 10 LEU N N 10 125.824 125.824 125.176 0.648 18681 5284 1 8 . 1 1 10 10 LEU HA H 10 3.742 3.742 4.594 -0.852 18681 5285 1 8 . 1 1 10 10 LEU CA C 10 53.064 53.064 53.092 -0.028 18681 5286 1 8 . 1 1 10 10 LEU CB C 10 42.980 42.980 42.879 0.101 18681 5287 1 8 . 1 1 10 10 LEU H H 10 8.172 8.172 8.334 -0.162 18681 5288 1 8 . 1 1 11 11 PRO HA H 11 4.175 4.175 4.325 -0.150 18681 5289 1 8 . 1 1 11 11 PRO CA C 11 62.124 62.124 62.628 -0.504 18681 5290 1 8 . 1 1 11 11 PRO CB C 11 32.442 32.442 31.584 0.858 18681 5291 1 8 . 1 1 12 12 ALA N N 12 128.292 128.292 125.594 2.698 18681 5292 1 8 . 1 1 12 12 ALA HA H 12 3.920 3.920 3.981 -0.061 18681 5293 1 8 . 1 1 12 12 ALA CA C 12 55.057 55.057 54.770 0.287 18681 5294 1 8 . 1 1 12 12 ALA CB C 12 17.918 17.918 18.852 -0.935 18681 5295 1 8 . 1 1 12 12 ALA H H 12 8.851 8.851 8.792 0.059 18681 5296 1 8 . 1 1 13 13 GLN N N 13 115.075 115.075 116.411 -1.336 18681 5297 1 8 . 1 1 13 13 GLN HA H 13 4.024 4.024 4.158 -0.134 18681 5298 1 8 . 1 1 13 13 GLN CA C 13 58.436 58.436 58.050 0.386 18681 5299 1 8 . 1 1 13 13 GLN CB C 13 28.058 28.058 28.076 -0.018 18681 5300 1 8 . 1 1 13 13 GLN H H 13 9.448 9.448 8.397 1.051 18681 5301 1 8 . 1 1 14 14 PHE N N 14 116.832 116.832 118.432 -1.600 18681 5302 1 8 . 1 1 14 14 PHE HA H 14 4.865 4.865 4.738 0.127 18681 5303 1 8 . 1 1 14 14 PHE CA C 14 52.224 52.224 55.471 -3.247 18681 5304 1 8 . 1 1 14 14 PHE CB C 14 36.841 36.841 38.446 -1.605 18681 5305 1 8 . 1 1 14 14 PHE H H 14 7.970 7.970 7.685 0.285 18681 5306 1 8 . 1 1 15 15 LYS N N 15 120.886 120.886 121.008 -0.122 18681 5307 1 8 . 1 1 15 15 LYS HA H 15 3.852 3.852 3.961 -0.109 18681 5308 1 8 . 1 1 15 15 LYS CA C 15 60.248 60.248 59.885 0.363 18681 5309 1 8 . 1 1 15 15 LYS CB C 15 32.137 32.137 32.423 -0.286 18681 5310 1 8 . 1 1 15 15 LYS H H 15 7.358 7.358 7.896 -0.538 18681 5311 1 8 . 1 1 16 16 SER N N 16 111.755 111.755 114.144 -2.389 18681 5312 1 8 . 1 1 16 16 SER HA H 16 4.321 4.321 4.218 0.103 18681 5313 1 8 . 1 1 16 16 SER CA C 16 61.099 61.099 61.305 -0.206 18681 5314 1 8 . 1 1 16 16 SER CB C 16 62.700 62.700 62.755 -0.055 18681 5315 1 8 . 1 1 16 16 SER H H 16 8.733 8.733 8.149 0.584 18681 5316 1 8 . 1 1 17 17 ILE N N 17 113.676 113.676 116.665 -2.989 18681 5317 1 8 . 1 1 17 17 ILE HA H 17 6.002 6.002 4.821 1.181 18681 5318 1 8 . 1 1 17 17 ILE CA C 17 60.675 60.675 61.630 -0.956 18681 5319 1 8 . 1 1 17 17 ILE CB C 17 37.907 37.907 36.984 0.923 18681 5320 1 8 . 1 1 17 17 ILE H H 17 7.692 7.692 7.168 0.524 18681 5321 1 8 . 1 1 18 18 GLN N N 18 122.213 122.213 121.819 0.394 18681 5322 1 8 . 1 1 18 18 GLN HA H 18 3.875 3.875 3.966 -0.091 18681 5323 1 8 . 1 1 18 18 GLN CA C 18 59.886 59.886 59.748 0.138 18681 5324 1 8 . 1 1 18 18 GLN CB C 18 29.027 29.027 28.405 0.622 18681 5325 1 8 . 1 1 18 18 GLN H H 18 7.810 7.810 8.128 -0.318 18681 5326 1 8 . 1 1 19 19 HIS N N 19 118.333 118.333 117.476 0.857 18681 5327 1 8 . 1 1 19 19 HIS HA H 19 4.547 4.547 4.285 0.262 18681 5328 1 8 . 1 1 19 19 HIS CA C 19 58.358 58.358 59.244 -0.886 18681 5329 1 8 . 1 1 19 19 HIS CB C 19 30.164 30.164 29.876 0.288 18681 5330 1 8 . 1 1 19 19 HIS H H 19 9.436 9.436 8.258 1.178 18681 5331 1 8 . 1 1 20 20 HIS N N 20 124.401 124.401 118.935 5.466 18681 5332 1 8 . 1 1 20 20 HIS HA H 20 3.958 3.958 4.334 -0.376 18681 5333 1 8 . 1 1 20 20 HIS CA C 20 62.329 62.329 60.566 1.763 18681 5334 1 8 . 1 1 20 20 HIS CB C 20 30.170 30.170 29.933 0.237 18681 5335 1 8 . 1 1 20 20 HIS H H 20 8.456 8.456 7.495 0.961 18681 5336 1 8 . 1 1 21 21 LEU N N 21 118.826 118.826 117.310 1.516 18681 5337 1 8 . 1 1 21 21 LEU HA H 21 4.096 4.096 4.140 -0.044 18681 5338 1 8 . 1 1 21 21 LEU CA C 21 57.730 57.730 58.608 -0.878 18681 5339 1 8 . 1 1 21 21 LEU CB C 21 41.415 41.415 41.122 0.293 18681 5340 1 8 . 1 1 21 21 LEU H H 21 8.028 8.028 8.030 -0.002 18681 5341 1 8 . 1 1 22 22 ARG N N 22 121.674 121.674 119.919 1.755 18681 5342 1 8 . 1 1 22 22 ARG HA H 22 4.227 4.227 3.988 0.239 18681 5343 1 8 . 1 1 22 22 ARG CA C 22 59.535 59.535 59.785 -0.250 18681 5344 1 8 . 1 1 22 22 ARG CB C 22 29.809 29.809 30.060 -0.251 18681 5345 1 8 . 1 1 22 22 ARG H H 22 8.103 8.103 8.170 -0.067 18681 5346 1 8 . 1 1 23 23 THR N N 23 116.419 116.419 115.612 0.807 18681 5347 1 8 . 1 1 23 23 THR HA H 23 4.113 4.113 4.138 -0.025 18681 5348 1 8 . 1 1 23 23 THR CA C 23 67.072 67.072 66.844 0.228 18681 5349 1 8 . 1 1 23 23 THR CB C 23 68.245 68.245 68.632 -0.387 18681 5350 1 8 . 1 1 23 23 THR H H 23 8.208 8.208 8.008 0.200 18681 5351 1 8 . 1 1 24 24 ALA N N 24 125.741 125.741 124.989 0.752 18681 5352 1 8 . 1 1 24 24 ALA HA H 24 3.928 3.928 3.970 -0.042 18681 5353 1 8 . 1 1 24 24 ALA CA C 24 56.675 56.675 55.574 1.101 18681 5354 1 8 . 1 1 24 24 ALA CB C 24 19.011 19.011 18.069 0.942 18681 5355 1 8 . 1 1 24 24 ALA H H 24 8.149 8.149 8.110 0.039 18681 5356 1 8 . 1 1 25 25 GLN N N 25 115.916 115.916 117.369 -1.453 18681 5357 1 8 . 1 1 25 25 GLN HA H 25 4.375 4.375 3.979 0.396 18681 5358 1 8 . 1 1 25 25 GLN CA C 25 58.060 58.060 59.088 -1.028 18681 5359 1 8 . 1 1 25 25 GLN CB C 25 28.423 28.423 28.369 0.054 18681 5360 1 8 . 1 1 25 25 GLN H H 25 7.785 7.785 8.436 -0.651 18681 5361 1 8 . 1 1 26 26 GLU N N 26 117.821 117.821 119.824 -2.003 18681 5362 1 8 . 1 1 26 26 GLU HA H 26 4.089 4.089 4.054 0.035 18681 5363 1 8 . 1 1 26 26 GLU CA C 26 58.165 58.165 59.111 -0.946 18681 5364 1 8 . 1 1 26 26 GLU CB C 26 29.323 29.323 29.792 -0.469 18681 5365 1 8 . 1 1 26 26 GLU H H 26 8.457 8.457 7.694 0.763 18681 5366 1 8 . 1 1 27 27 HIS N N 27 115.762 115.762 118.934 -3.172 18681 5367 1 8 . 1 1 27 27 HIS HA H 27 4.380 4.380 4.252 0.128 18681 5368 1 8 . 1 1 27 27 HIS CA C 27 59.076 59.076 60.263 -1.187 18681 5369 1 8 . 1 1 27 27 HIS CB C 27 29.049 29.049 29.553 -0.504 18681 5370 1 8 . 1 1 27 27 HIS H H 27 7.962 7.962 8.946 -0.984 18681 5371 1 8 . 1 1 28 28 ASP N N 28 123.640 123.640 119.159 4.481 18681 5372 1 8 . 1 1 28 28 ASP HA H 28 4.332 4.332 4.436 -0.104 18681 5373 1 8 . 1 1 28 28 ASP CA C 28 58.935 58.935 57.354 1.581 18681 5374 1 8 . 1 1 28 28 ASP CB C 28 40.355 40.355 40.904 -0.549 18681 5375 1 8 . 1 1 28 28 ASP H H 28 7.593 7.593 8.695 -1.103 18681 5376 1 8 . 1 1 29 29 LYS N N 29 113.398 113.398 117.915 -4.517 18681 5377 1 8 . 1 1 29 29 LYS HA H 29 4.395 4.395 4.138 0.257 18681 5378 1 8 . 1 1 29 29 LYS CA C 29 56.654 56.654 58.480 -1.826 18681 5379 1 8 . 1 1 29 29 LYS CB C 29 32.708 32.708 32.555 0.153 18681 5380 1 8 . 1 1 29 29 LYS H H 29 8.013 8.013 7.547 0.466 18681 5381 1 8 . 1 1 30 30 ARG N N 30 117.542 117.542 117.173 0.369 18681 5382 1 8 . 1 1 30 30 ARG HA H 30 4.244 4.244 4.280 -0.036 18681 5383 1 8 . 1 1 30 30 ARG CA C 30 57.994 57.994 57.574 0.420 18681 5384 1 8 . 1 1 30 30 ARG CB C 30 32.658 32.658 31.696 0.962 18681 5385 1 8 . 1 1 30 30 ARG H H 30 7.873 7.873 7.769 0.104 18681 5386 1 8 . 1 1 31 31 ASP N N 31 112.265 112.265 118.761 -6.496 18681 5387 1 8 . 1 1 31 31 ASP HA H 31 4.866 4.866 5.195 -0.329 18681 5388 1 8 . 1 1 31 31 ASP CA C 31 52.200 52.200 50.662 1.538 18681 5389 1 8 . 1 1 31 31 ASP CB C 31 40.932 40.932 43.847 -2.915 18681 5390 1 8 . 1 1 31 31 ASP H H 31 8.808 8.808 8.579 0.229 18681 5391 1 8 . 1 1 32 32 PRO HA H 32 4.411 4.411 4.497 -0.086 18681 5392 1 8 . 1 1 32 32 PRO CA C 32 63.963 63.963 64.802 -0.839 18681 5393 1 8 . 1 1 32 32 PRO CB C 32 32.908 32.908 32.820 0.088 18681 5394 1 8 . 1 1 33 33 VAL N N 33 117.414 117.414 119.769 -2.355 18681 5395 1 8 . 1 1 33 33 VAL HA H 33 3.480 3.480 3.655 -0.175 18681 5396 1 8 . 1 1 33 33 VAL CA C 33 66.518 66.518 66.629 -0.111 18681 5397 1 8 . 1 1 33 33 VAL CB C 33 31.120 31.120 31.627 -0.507 18681 5398 1 8 . 1 1 33 33 VAL H H 33 7.656 7.656 7.918 -0.262 18681 5399 1 8 . 1 1 34 34 VAL N N 34 120.456 120.456 119.898 0.558 18681 5400 1 8 . 1 1 34 34 VAL HA H 34 3.561 3.561 3.839 -0.278 18681 5401 1 8 . 1 1 34 34 VAL CA C 34 66.828 66.828 66.513 0.315 18681 5402 1 8 . 1 1 34 34 VAL CB C 34 32.442 32.442 31.045 1.397 18681 5403 1 8 . 1 1 34 34 VAL H H 34 7.234 7.234 9.020 -1.786 18681 5404 1 8 . 1 1 35 35 ALA N N 35 121.869 121.869 122.991 -1.122 18681 5405 1 8 . 1 1 35 35 ALA HA H 35 3.909 3.909 4.026 -0.117 18681 5406 1 8 . 1 1 35 35 ALA CA C 35 56.024 56.024 55.184 0.840 18681 5407 1 8 . 1 1 35 35 ALA CB C 35 19.264 19.264 18.337 0.927 18681 5408 1 8 . 1 1 35 35 ALA H H 35 8.096 8.096 7.845 0.251 18681 5409 1 8 . 1 1 36 36 TYR N N 36 117.995 117.995 120.836 -2.841 18681 5410 1 8 . 1 1 36 36 TYR HA H 36 3.826 3.826 3.952 -0.126 18681 5411 1 8 . 1 1 36 36 TYR CA C 36 62.044 62.044 62.617 -0.573 18681 5412 1 8 . 1 1 36 36 TYR CB C 36 38.136 38.136 38.466 -0.330 18681 5413 1 8 . 1 1 36 36 TYR H H 36 8.271 8.271 8.190 0.081 18681 5414 1 8 . 1 1 37 37 TYR N N 37 116.773 116.773 117.104 -0.331 18681 5415 1 8 . 1 1 37 37 TYR HA H 37 4.046 4.046 4.131 -0.085 18681 5416 1 8 . 1 1 37 37 TYR CA C 37 63.831 63.831 62.442 1.389 18681 5417 1 8 . 1 1 37 37 TYR CB C 37 37.749 37.749 37.981 -0.232 18681 5418 1 8 . 1 1 37 37 TYR H H 37 8.213 8.213 7.945 0.268 18681 5419 1 8 . 1 1 38 38 CYS N N 38 116.194 116.194 119.528 -3.334 18681 5420 1 8 . 1 1 38 38 CYS HA H 38 4.370 4.370 3.997 0.373 18681 5421 1 8 . 1 1 38 38 CYS CA C 38 64.389 64.389 64.178 0.211 18681 5422 1 8 . 1 1 38 38 CYS CB C 38 27.945 27.945 27.497 0.448 18681 5423 1 8 . 1 1 38 38 CYS H H 38 8.695 8.695 8.640 0.055 18681 5424 1 8 . 1 1 39 39 ARG N N 39 117.023 117.023 118.985 -1.962 18681 5425 1 8 . 1 1 39 39 ARG HA H 39 3.804 3.804 3.928 -0.124 18681 5426 1 8 . 1 1 39 39 ARG CA C 39 60.198 60.198 59.551 0.647 18681 5427 1 8 . 1 1 39 39 ARG H H 39 7.005 7.005 8.283 -1.278 18681 5428 1 8 . 1 1 40 40 LEU N N 40 123.317 123.317 121.707 1.610 18681 5429 1 8 . 1 1 40 40 LEU HA H 40 3.813 3.813 3.866 -0.053 18681 5430 1 8 . 1 1 40 40 LEU CA C 40 58.181 58.181 57.871 0.310 18681 5431 1 8 . 1 1 40 40 LEU CB C 40 42.085 42.085 41.383 0.702 18681 5432 1 8 . 1 1 40 40 LEU H H 40 8.326 8.326 7.526 0.800 18681 5433 1 8 . 1 1 41 41 TYR N N 41 118.320 118.320 119.464 -1.144 18681 5434 1 8 . 1 1 41 41 TYR HA H 41 3.732 3.732 3.904 -0.172 18681 5435 1 8 . 1 1 41 41 TYR CA C 41 61.418 61.418 60.914 0.504 18681 5436 1 8 . 1 1 41 41 TYR CB C 41 38.953 38.953 37.986 0.967 18681 5437 1 8 . 1 1 41 41 TYR H H 41 8.533 8.533 7.834 0.699 18681 5438 1 8 . 1 1 42 42 ALA N N 42 123.644 123.644 122.421 1.223 18681 5439 1 8 . 1 1 42 42 ALA HA H 42 3.482 3.482 3.615 -0.133 18681 5440 1 8 . 1 1 42 42 ALA CA C 42 55.157 55.157 54.428 0.729 18681 5441 1 8 . 1 1 42 42 ALA CB C 42 18.413 18.413 18.358 0.055 18681 5442 1 8 . 1 1 42 42 ALA H H 42 7.962 7.962 7.648 0.314 18681 5443 1 8 . 1 1 43 43 MET N N 43 117.932 117.932 118.535 -0.603 18681 5444 1 8 . 1 1 43 43 MET HA H 43 3.696 3.696 3.790 -0.094 18681 5445 1 8 . 1 1 43 43 MET CA C 43 58.675 58.675 59.980 -1.305 18681 5446 1 8 . 1 1 43 43 MET H H 43 8.433 8.433 8.247 0.186 18681 5447 1 8 . 1 1 44 44 GLN N N 44 116.738 116.738 117.613 -0.875 18681 5448 1 8 . 1 1 44 44 GLN HA H 44 3.773 3.773 3.810 -0.037 18681 5449 1 8 . 1 1 44 44 GLN CA C 44 58.924 58.924 59.049 -0.125 18681 5450 1 8 . 1 1 44 44 GLN CB C 44 27.921 27.921 28.403 -0.482 18681 5451 1 8 . 1 1 44 44 GLN H H 44 8.307 8.307 7.911 0.396 18681 5452 1 8 . 1 1 45 45 THR N N 45 116.249 116.249 111.323 4.926 18681 5453 1 8 . 1 1 45 45 THR HA H 45 3.479 3.479 3.806 -0.327 18681 5454 1 8 . 1 1 45 45 THR CA C 45 66.529 66.529 65.301 1.228 18681 5455 1 8 . 1 1 45 45 THR CB C 45 67.635 67.635 68.087 -0.452 18681 5456 1 8 . 1 1 45 45 THR H H 45 7.954 7.954 7.624 0.330 18681 5457 1 8 . 1 1 46 46 GLY N N 46 110.016 110.016 110.227 -0.211 18681 5458 1 8 . 1 1 46 46 GLY CA C 46 46.653 46.653 46.832 -0.179 18681 5459 1 8 . 1 1 46 46 GLY H H 46 8.429 8.429 8.006 0.423 18681 5460 1 8 . 1 1 47 47 MET N N 47 118.040 118.040 119.969 -1.929 18681 5461 1 8 . 1 1 47 47 MET HA H 47 3.876 3.876 4.582 -0.706 18681 5462 1 8 . 1 1 47 47 MET CA C 47 58.136 58.136 57.840 0.296 18681 5463 1 8 . 1 1 47 47 MET CB C 47 32.445 32.445 31.778 0.667 18681 5464 1 8 . 1 1 47 47 MET H H 47 8.160 8.160 8.175 -0.015 18681 5465 1 8 . 1 1 48 48 LYS N N 48 116.712 116.712 119.886 -3.174 18681 5466 1 8 . 1 1 48 48 LYS HA H 48 4.012 4.012 3.993 0.019 18681 5467 1 8 . 1 1 48 48 LYS CA C 48 57.945 57.945 58.880 -0.935 18681 5468 1 8 . 1 1 48 48 LYS CB C 48 32.533 32.533 32.475 0.058 18681 5469 1 8 . 1 1 48 48 LYS H H 48 6.958 6.958 7.692 -0.734 18681 5470 1 8 . 1 1 49 49 ILE N N 49 120.903 120.903 116.821 4.082 18681 5471 1 8 . 1 1 49 49 ILE HA H 49 3.718 3.718 3.882 -0.164 18681 5472 1 8 . 1 1 49 49 ILE CA C 49 64.863 64.863 63.847 1.016 18681 5473 1 8 . 1 1 49 49 ILE CB C 49 39.087 39.087 38.711 0.376 18681 5474 1 8 . 1 1 49 49 ILE H H 49 7.609 7.609 7.513 0.096 18681 5475 1 8 . 1 1 50 50 ASP N N 50 115.959 115.959 119.062 -3.103 18681 5476 1 8 . 1 1 50 50 ASP HA H 50 4.488 4.488 4.848 -0.360 18681 5477 1 8 . 1 1 50 50 ASP CA C 50 55.393 55.393 53.167 2.226 18681 5478 1 8 . 1 1 50 50 ASP CB C 50 40.952 40.952 42.256 -1.304 18681 5479 1 8 . 1 1 50 50 ASP H H 50 8.214 8.214 8.030 0.184 18681 5480 1 8 . 1 1 51 51 SER N N 51 115.917 115.917 121.705 -5.788 18681 5481 1 8 . 1 1 51 51 SER HA H 51 4.566 4.566 4.337 0.229 18681 5482 1 8 . 1 1 51 51 SER CA C 51 56.544 56.544 60.590 -4.046 18681 5483 1 8 . 1 1 51 51 SER CB C 51 64.126 64.126 63.611 0.515 18681 5484 1 8 . 1 1 51 51 SER H H 51 8.438 8.438 8.744 -0.306 18681 5485 1 8 . 1 1 52 52 LYS N N 52 122.213 122.213 120.099 2.114 18681 5486 1 8 . 1 1 52 52 LYS HA H 52 4.438 4.438 4.481 -0.043 18681 5487 1 8 . 1 1 52 52 LYS CB C 52 35.344 35.344 32.921 2.423 18681 5488 1 8 . 1 1 52 52 LYS H H 52 8.937 8.937 7.936 1.001 18681 5489 1 8 . 1 1 53 53 THR N N 53 122.291 122.291 119.390 2.901 18681 5490 1 8 . 1 1 53 53 THR HA H 53 4.273 4.273 4.803 -0.530 18681 5491 1 8 . 1 1 53 53 THR CA C 53 61.837 61.837 58.895 2.942 18681 5492 1 8 . 1 1 53 53 THR CB C 53 68.067 68.067 70.906 -2.839 18681 5493 1 8 . 1 1 53 53 THR H H 53 9.437 9.437 7.995 1.442 18681 5494 1 8 . 1 1 54 54 PRO HA H 54 4.050 4.050 4.114 -0.064 18681 5495 1 8 . 1 1 54 54 PRO CA C 54 66.870 66.870 65.992 0.878 18681 5496 1 8 . 1 1 54 54 PRO CB C 54 31.670 31.670 31.887 -0.217 18681 5497 1 8 . 1 1 55 55 GLU N N 55 116.532 116.532 118.709 -2.177 18681 5498 1 8 . 1 1 55 55 GLU HA H 55 4.024 4.024 4.217 -0.193 18681 5499 1 8 . 1 1 55 55 GLU CA C 55 59.870 59.870 59.205 0.665 18681 5500 1 8 . 1 1 55 55 GLU CB C 55 28.759 28.759 29.197 -0.438 18681 5501 1 8 . 1 1 55 55 GLU H H 55 9.352 9.352 8.648 0.704 18681 5502 1 8 . 1 1 56 56 CYS N N 56 119.066 119.066 117.885 1.181 18681 5503 1 8 . 1 1 56 56 CYS HA H 56 3.759 3.759 3.968 -0.209 18681 5504 1 8 . 1 1 56 56 CYS CA C 56 63.167 63.167 62.823 0.344 18681 5505 1 8 . 1 1 56 56 CYS CB C 56 26.891 26.891 27.127 -0.236 18681 5506 1 8 . 1 1 56 56 CYS H H 56 7.126 7.126 8.290 -1.164 18681 5507 1 8 . 1 1 57 57 ARG N N 57 119.779 119.779 121.279 -1.500 18681 5508 1 8 . 1 1 57 57 ARG HA H 57 3.876 3.876 3.938 -0.062 18681 5509 1 8 . 1 1 57 57 ARG CA C 57 60.025 60.025 59.750 0.275 18681 5510 1 8 . 1 1 57 57 ARG H H 57 8.252 8.252 8.602 -0.350 18681 5511 1 8 . 1 1 58 58 LYS N N 58 119.155 119.155 118.609 0.546 18681 5512 1 8 . 1 1 58 58 LYS HA H 58 4.056 4.056 4.069 -0.013 18681 5513 1 8 . 1 1 58 58 LYS CA C 58 59.205 59.205 58.949 0.256 18681 5514 1 8 . 1 1 58 58 LYS CB C 58 32.127 32.127 31.906 0.221 18681 5515 1 8 . 1 1 58 58 LYS H H 58 8.394 8.394 7.680 0.714 18681 5516 1 8 . 1 1 59 59 PHE N N 59 119.989 119.989 121.562 -1.573 18681 5517 1 8 . 1 1 59 59 PHE HA H 59 3.748 3.748 4.190 -0.442 18681 5518 1 8 . 1 1 59 59 PHE CA C 59 63.103 63.103 61.788 1.315 18681 5519 1 8 . 1 1 59 59 PHE CB C 59 39.644 39.644 39.154 0.491 18681 5520 1 8 . 1 1 59 59 PHE H H 59 7.720 7.720 7.647 0.073 18681 5521 1 8 . 1 1 60 60 LEU N N 60 117.203 117.203 119.547 -2.344 18681 5522 1 8 . 1 1 60 60 LEU HA H 60 3.991 3.991 4.006 -0.015 18681 5523 1 8 . 1 1 60 60 LEU CA C 60 57.969 57.969 58.360 -0.391 18681 5524 1 8 . 1 1 60 60 LEU CB C 60 41.187 41.187 41.742 -0.555 18681 5525 1 8 . 1 1 60 60 LEU H H 60 8.685 8.685 9.183 -0.498 18681 5526 1 8 . 1 1 61 61 SER N N 61 114.724 114.724 115.064 -0.340 18681 5527 1 8 . 1 1 61 61 SER HA H 61 4.188 4.188 4.073 0.115 18681 5528 1 8 . 1 1 61 61 SER CA C 61 61.650 61.650 61.748 -0.097 18681 5529 1 8 . 1 1 61 61 SER CB C 61 62.589 62.589 62.879 -0.290 18681 5530 1 8 . 1 1 61 61 SER H H 61 8.107 8.107 8.294 -0.187 18681 5531 1 8 . 1 1 62 62 LYS N N 62 120.164 120.164 121.734 -1.570 18681 5532 1 8 . 1 1 62 62 LYS HA H 62 4.147 4.147 3.986 0.161 18681 5533 1 8 . 1 1 62 62 LYS CA C 62 57.139 57.139 59.152 -2.013 18681 5534 1 8 . 1 1 62 62 LYS CB C 62 30.881 30.881 32.204 -1.323 18681 5535 1 8 . 1 1 62 62 LYS H H 62 7.541 7.541 8.151 -0.610 18681 5536 1 8 . 1 1 63 63 LEU N N 63 123.446 123.446 121.562 1.884 18681 5537 1 8 . 1 1 63 63 LEU HA H 63 3.926 3.926 3.926 -0.000 18681 5538 1 8 . 1 1 63 63 LEU CA C 63 57.709 57.709 57.781 -0.072 18681 5539 1 8 . 1 1 63 63 LEU CB C 63 41.222 41.222 41.805 -0.583 18681 5540 1 8 . 1 1 63 63 LEU H H 63 8.238 8.238 8.216 0.022 18681 5541 1 8 . 1 1 64 64 MET N N 64 120.864 120.864 118.337 2.527 18681 5542 1 8 . 1 1 64 64 MET HA H 64 4.143 4.143 4.084 0.059 18681 5543 1 8 . 1 1 64 64 MET CA C 64 58.644 58.644 58.272 0.372 18681 5544 1 8 . 1 1 64 64 MET CB C 64 31.625 31.625 31.733 -0.108 18681 5545 1 8 . 1 1 64 64 MET H H 64 8.608 8.608 8.505 0.103 18681 5546 1 8 . 1 1 65 65 ASP N N 65 119.121 119.121 120.677 -1.556 18681 5547 1 8 . 1 1 65 65 ASP HA H 65 4.373 4.373 4.606 -0.233 18681 5548 1 8 . 1 1 65 65 ASP CA C 65 57.390 57.390 56.983 0.407 18681 5549 1 8 . 1 1 65 65 ASP CB C 65 39.956 39.956 40.686 -0.730 18681 5550 1 8 . 1 1 65 65 ASP H H 65 7.857 7.857 8.048 -0.191 18681 5551 1 8 . 1 1 66 66 GLN N N 66 119.748 119.748 119.342 0.406 18681 5552 1 8 . 1 1 66 66 GLN HA H 66 4.084 4.084 3.997 0.087 18681 5553 1 8 . 1 1 66 66 GLN CB C 66 28.222 28.222 28.806 -0.584 18681 5554 1 8 . 1 1 66 66 GLN H H 66 7.703 7.703 7.801 -0.098 18681 5555 1 8 . 1 1 67 67 LEU N N 67 120.349 120.349 120.822 -0.473 18681 5556 1 8 . 1 1 67 67 LEU HA H 67 3.890 3.890 3.899 -0.009 18681 5557 1 8 . 1 1 67 67 LEU CA C 67 58.914 58.914 58.370 0.544 18681 5558 1 8 . 1 1 67 67 LEU H H 67 8.356 8.356 7.877 0.479 18681 5559 1 8 . 1 1 68 68 GLU N N 68 118.268 118.268 119.665 -1.397 18681 5560 1 8 . 1 1 68 68 GLU HA H 68 4.018 4.018 4.012 0.006 18681 5561 1 8 . 1 1 68 68 GLU CA C 68 59.174 59.174 59.520 -0.346 18681 5562 1 8 . 1 1 68 68 GLU CB C 68 29.419 29.419 29.447 -0.028 18681 5563 1 8 . 1 1 68 68 GLU H H 68 8.547 8.547 8.187 0.360 18681 5564 1 8 . 1 1 69 69 ALA N N 69 122.349 122.349 123.284 -0.935 18681 5565 1 8 . 1 1 69 69 ALA HA H 69 4.126 4.126 4.029 0.097 18681 5566 1 8 . 1 1 69 69 ALA CA C 69 54.937 54.937 55.158 -0.221 18681 5567 1 8 . 1 1 69 69 ALA CB C 69 18.147 18.147 18.088 0.059 18681 5568 1 8 . 1 1 69 69 ALA H H 69 7.853 7.853 8.362 -0.509 18681 5569 1 8 . 1 1 70 70 LEU N N 70 120.257 120.257 118.727 1.530 18681 5570 1 8 . 1 1 70 70 LEU HA H 70 4.016 4.016 3.887 0.129 18681 5571 1 8 . 1 1 70 70 LEU CA C 70 57.750 57.750 57.717 0.034 18681 5572 1 8 . 1 1 70 70 LEU CB C 70 42.623 42.623 41.676 0.947 18681 5573 1 8 . 1 1 70 70 LEU H H 70 8.553 8.553 7.868 0.685 18681 5574 1 8 . 1 1 71 71 LYS HA H 71 3.431 3.431 3.739 -0.308 18681 5575 1 8 . 1 1 71 71 LYS CB C 71 32.132 32.132 32.304 -0.172 18681 5576 1 8 . 1 1 71 71 LYS H H 71 8.636 8.636 7.804 0.832 18681 5577 1 8 . 1 1 72 72 LYS N N 72 117.417 117.417 118.555 -1.138 18681 5578 1 8 . 1 1 72 72 LYS HA H 72 4.007 4.007 4.029 -0.022 18681 5579 1 8 . 1 1 72 72 LYS CA C 72 58.936 58.936 58.638 0.298 18681 5580 1 8 . 1 1 72 72 LYS H H 72 7.620 7.620 8.177 -0.557 18681 5581 1 8 . 1 1 73 73 GLN N N 73 119.180 119.180 118.331 0.849 18681 5582 1 8 . 1 1 73 73 GLN HA H 73 4.027 4.027 4.065 -0.038 18681 5583 1 8 . 1 1 73 73 GLN CA C 73 58.084 58.084 58.378 -0.294 18681 5584 1 8 . 1 1 73 73 GLN CB C 73 29.044 29.044 28.776 0.268 18681 5585 1 8 . 1 1 73 73 GLN H H 73 7.798 7.798 7.813 -0.015 18681 5586 1 8 . 1 1 74 74 LEU N N 74 118.230 118.230 116.678 1.552 18681 5587 1 8 . 1 1 74 74 LEU HA H 74 4.258 4.258 4.142 0.116 18681 5588 1 8 . 1 1 74 74 LEU CA C 74 55.050 55.050 56.001 -0.951 18681 5589 1 8 . 1 1 74 74 LEU CB C 74 42.380 42.380 42.682 -0.302 18681 5590 1 8 . 1 1 74 74 LEU H H 74 8.050 8.050 7.892 0.158 18681 5591 1 8 . 1 1 75 75 GLY N N 75 106.441 106.441 107.026 -0.585 18681 5592 1 8 . 1 1 75 75 GLY CA C 75 47.098 47.098 45.646 1.452 18681 5593 1 8 . 1 1 75 75 GLY H H 75 7.420 7.420 8.351 -0.931 18681 5594 1 8 . 1 1 76 76 ASP N N 76 121.520 121.520 127.169 -5.649 18681 5595 1 8 . 1 1 76 76 ASP HA H 76 4.533 4.533 4.800 -0.267 18681 5596 1 8 . 1 1 76 76 ASP CA C 76 53.148 53.148 53.497 -0.349 18681 5597 1 8 . 1 1 76 76 ASP CB C 76 39.714 39.714 39.853 -0.139 18681 5598 1 8 . 1 1 76 76 ASP H H 76 8.332 8.332 8.327 0.005 18681 5599 1 8 . 1 1 77 77 ASN N N 77 121.250 121.250 121.017 0.233 18681 5600 1 8 . 1 1 77 77 ASN HA H 77 4.489 4.489 4.883 -0.394 18681 5601 1 8 . 1 1 77 77 ASN CA C 77 54.063 54.063 51.901 2.162 18681 5602 1 8 . 1 1 77 77 ASN CB C 77 40.058 40.058 41.442 -1.384 18681 5603 1 8 . 1 1 77 77 ASN H H 77 7.725 7.725 7.911 -0.186 18681 5604 1 8 . 1 1 78 78 GLU N N 78 129.390 129.390 126.809 2.581 18681 5605 1 8 . 1 1 78 78 GLU HA H 78 4.225 4.225 4.006 0.219 18681 5606 1 8 . 1 1 78 78 GLU CA C 78 58.888 58.888 60.217 -1.329 18681 5607 1 8 . 1 1 78 78 GLU CB C 78 29.698 29.698 29.580 0.118 18681 5608 1 8 . 1 1 78 78 GLU H H 78 9.282 9.282 9.078 0.204 18681 5609 1 8 . 1 1 79 79 ALA N N 79 116.576 116.576 121.488 -4.912 18681 5610 1 8 . 1 1 79 79 ALA HA H 79 4.079 4.079 4.138 -0.059 18681 5611 1 8 . 1 1 79 79 ALA CA C 79 53.222 53.222 55.052 -1.830 18681 5612 1 8 . 1 1 79 79 ALA CB C 79 19.347 19.347 18.645 0.702 18681 5613 1 8 . 1 1 79 79 ALA H H 79 8.285 8.285 8.041 0.244 18681 5614 1 8 . 1 1 80 80 ILE N N 80 116.410 116.410 116.018 0.392 18681 5615 1 8 . 1 1 80 80 ILE HA H 80 4.043 4.043 3.827 0.216 18681 5616 1 8 . 1 1 80 80 ILE CA C 80 59.695 59.695 62.809 -3.114 18681 5617 1 8 . 1 1 80 80 ILE CB C 80 36.642 36.642 37.480 -0.838 18681 5618 1 8 . 1 1 80 80 ILE H H 80 7.857 7.857 7.672 0.185 18681 5619 1 8 . 1 1 81 81 THR N N 81 110.649 110.649 110.991 -0.342 18681 5620 1 8 . 1 1 81 81 THR HA H 81 4.079 4.079 4.091 -0.012 18681 5621 1 8 . 1 1 81 81 THR CA C 81 63.509 63.509 64.058 -0.549 18681 5622 1 8 . 1 1 81 81 THR CB C 81 68.764 68.764 69.443 -0.679 18681 5623 1 8 . 1 1 81 81 THR H H 81 7.869 7.869 8.142 -0.273 18681 5624 1 8 . 1 1 82 82 GLN N N 82 120.522 120.522 121.894 -1.372 18681 5625 1 8 . 1 1 82 82 GLN HA H 82 4.743 4.743 4.638 0.105 18681 5626 1 8 . 1 1 82 82 GLN CB C 82 29.184 29.184 30.152 -0.968 18681 5627 1 8 . 1 1 82 82 GLN H H 82 8.016 8.016 8.143 -0.127 18681 5628 1 8 . 1 1 83 83 GLU N N 83 126.907 126.907 124.783 2.124 18681 5629 1 8 . 1 1 83 83 GLU HA H 83 4.011 4.011 4.223 -0.212 18681 5630 1 8 . 1 1 83 83 GLU CA C 83 60.736 60.736 59.459 1.277 18681 5631 1 8 . 1 1 83 83 GLU CB C 83 29.353 29.353 29.200 0.153 18681 5632 1 8 . 1 1 83 83 GLU H H 83 9.146 9.146 8.985 0.161 18681 5633 1 8 . 1 1 84 84 ILE N N 84 115.693 115.693 116.206 -0.513 18681 5634 1 8 . 1 1 84 84 ILE HA H 84 3.764 3.764 3.567 0.197 18681 5635 1 8 . 1 1 84 84 ILE CA C 84 63.908 63.908 64.419 -0.511 18681 5636 1 8 . 1 1 84 84 ILE CB C 84 37.762 37.762 37.193 0.570 18681 5637 1 8 . 1 1 84 84 ILE H H 84 8.460 8.460 7.725 0.735 18681 5638 1 8 . 1 1 85 85 VAL N N 85 123.415 123.415 120.961 2.454 18681 5639 1 8 . 1 1 85 85 VAL HA H 85 3.714 3.714 3.696 0.018 18681 5640 1 8 . 1 1 85 85 VAL CA C 85 65.226 65.226 66.237 -1.011 18681 5641 1 8 . 1 1 85 85 VAL CB C 85 31.142 31.142 31.046 0.096 18681 5642 1 8 . 1 1 85 85 VAL H H 85 7.034 7.034 7.711 -0.677 18681 5643 1 8 . 1 1 86 86 GLY N N 86 110.422 110.422 107.033 3.389 18681 5644 1 8 . 1 1 86 86 GLY CA C 86 49.167 49.167 47.302 1.865 18681 5645 1 8 . 1 1 86 86 GLY H H 86 8.139 8.139 7.842 0.297 18681 5646 1 8 . 1 1 87 87 CYS N N 87 121.087 121.087 120.989 0.098 18681 5647 1 8 . 1 1 87 87 CYS HA H 87 2.923 2.923 3.910 -0.987 18681 5648 1 8 . 1 1 87 87 CYS CA C 87 62.064 62.064 62.843 -0.779 18681 5649 1 8 . 1 1 87 87 CYS CB C 87 25.682 25.682 26.975 -1.293 18681 5650 1 8 . 1 1 87 87 CYS H H 87 8.052 8.052 8.225 -0.173 18681 5651 1 8 . 1 1 88 88 ALA N N 88 119.739 119.739 122.537 -2.798 18681 5652 1 8 . 1 1 88 88 ALA HA H 88 4.109 4.109 3.975 0.134 18681 5653 1 8 . 1 1 88 88 ALA CA C 88 54.895 54.895 54.887 0.008 18681 5654 1 8 . 1 1 88 88 ALA CB C 88 17.680 17.680 18.010 -0.330 18681 5655 1 8 . 1 1 88 88 ALA H H 88 7.230 7.230 8.039 -0.809 18681 5656 1 8 . 1 1 89 89 HIS N N 89 118.056 118.056 119.061 -1.005 18681 5657 1 8 . 1 1 89 89 HIS HA H 89 4.172 4.172 4.288 -0.116 18681 5658 1 8 . 1 1 89 89 HIS CA C 89 59.587 59.587 60.074 -0.487 18681 5659 1 8 . 1 1 89 89 HIS CB C 89 30.446 30.446 30.159 0.287 18681 5660 1 8 . 1 1 89 89 HIS H H 89 8.190 8.190 7.899 0.291 18681 5661 1 8 . 1 1 90 90 LEU N N 90 120.375 120.375 120.082 0.293 18681 5662 1 8 . 1 1 90 90 LEU HA H 90 3.953 3.953 4.093 -0.140 18681 5663 1 8 . 1 1 90 90 LEU CA C 90 57.959 57.959 58.693 -0.734 18681 5664 1 8 . 1 1 90 90 LEU CB C 90 41.434 41.434 41.729 -0.295 18681 5665 1 8 . 1 1 90 90 LEU H H 90 8.115 8.115 8.277 -0.162 18681 5666 1 8 . 1 1 91 91 GLU N N 91 119.711 119.711 119.528 0.183 18681 5667 1 8 . 1 1 91 91 GLU HA H 91 3.801 3.801 3.754 0.047 18681 5668 1 8 . 1 1 91 91 GLU CA C 91 60.130 60.130 59.829 0.301 18681 5669 1 8 . 1 1 91 91 GLU CB C 91 29.870 29.870 29.536 0.334 18681 5670 1 8 . 1 1 91 91 GLU H H 91 9.186 9.186 8.322 0.864 18681 5671 1 8 . 1 1 92 92 ASN N N 92 116.626 116.626 118.143 -1.517 18681 5672 1 8 . 1 1 92 92 ASN HA H 92 4.411 4.411 4.383 0.028 18681 5673 1 8 . 1 1 92 92 ASN CA C 92 56.280 56.280 56.160 0.120 18681 5674 1 8 . 1 1 92 92 ASN CB C 92 38.464 38.464 38.599 -0.135 18681 5675 1 8 . 1 1 92 92 ASN H H 92 8.392 8.392 8.053 0.339 18681 5676 1 8 . 1 1 93 93 TYR N N 93 121.123 121.123 121.243 -0.120 18681 5677 1 8 . 1 1 93 93 TYR HA H 93 4.465 4.465 4.042 0.423 18681 5678 1 8 . 1 1 93 93 TYR CA C 93 59.339 59.339 60.995 -1.656 18681 5679 1 8 . 1 1 93 93 TYR CB C 93 38.593 38.593 38.093 0.500 18681 5680 1 8 . 1 1 93 93 TYR H H 93 7.742 7.742 8.229 -0.487 18681 5681 1 8 . 1 1 94 94 ALA N N 94 120.589 120.589 121.480 -0.891 18681 5682 1 8 . 1 1 94 94 ALA HA H 94 3.742 3.742 4.003 -0.261 18681 5683 1 8 . 1 1 94 94 ALA CA C 94 55.340 55.340 55.301 0.039 18681 5684 1 8 . 1 1 94 94 ALA CB C 94 17.779 17.779 18.250 -0.471 18681 5685 1 8 . 1 1 94 94 ALA H H 94 8.811 8.811 8.095 0.716 18681 5686 1 8 . 1 1 95 95 LEU HA H 95 4.132 4.132 4.083 0.049 18681 5687 1 8 . 1 1 95 95 LEU CB C 95 40.964 40.964 41.017 -0.053 18681 5688 1 8 . 1 1 95 95 LEU H H 95 8.345 8.345 7.793 0.552 18681 5689 1 8 . 1 1 96 96 LYS N N 96 119.704 119.704 119.354 0.350 18681 5690 1 8 . 1 1 96 96 LYS HA H 96 3.971 3.971 4.040 -0.069 18681 5691 1 8 . 1 1 96 96 LYS CA C 96 59.877 59.877 59.545 0.332 18681 5692 1 8 . 1 1 96 96 LYS CB C 96 32.096 32.096 32.292 -0.196 18681 5693 1 8 . 1 1 96 96 LYS H H 96 8.057 8.057 8.124 -0.067 18681 5694 1 8 . 1 1 97 97 MET N N 97 119.269 119.269 118.562 0.707 18681 5695 1 8 . 1 1 97 97 MET HA H 97 4.146 4.146 4.257 -0.111 18681 5696 1 8 . 1 1 97 97 MET CA C 97 59.020 59.020 59.198 -0.178 18681 5697 1 8 . 1 1 97 97 MET CB C 97 32.949 32.949 32.877 0.072 18681 5698 1 8 . 1 1 97 97 MET H H 97 7.791 7.791 8.250 -0.459 18681 5699 1 8 . 1 1 98 98 PHE N N 98 120.493 120.493 121.210 -0.717 18681 5700 1 8 . 1 1 98 98 PHE HA H 98 3.686 3.686 4.306 -0.620 18681 5701 1 8 . 1 1 98 98 PHE CA C 98 62.257 62.257 61.756 0.501 18681 5702 1 8 . 1 1 98 98 PHE CB C 98 39.929 39.929 39.169 0.760 18681 5703 1 8 . 1 1 98 98 PHE H H 98 8.584 8.584 8.722 -0.138 18681 5704 1 8 . 1 1 99 99 LEU N N 99 118.196 118.196 119.176 -0.980 18681 5705 1 8 . 1 1 99 99 LEU HA H 99 3.923 3.923 3.744 0.179 18681 5706 1 8 . 1 1 99 99 LEU CA C 99 57.670 57.670 58.201 -0.531 18681 5707 1 8 . 1 1 99 99 LEU CB C 99 41.371 41.371 41.564 -0.193 18681 5708 1 8 . 1 1 99 99 LEU H H 99 9.148 9.148 8.408 0.740 18681 5709 1 8 . 1 1 100 100 TYR N N 100 119.695 119.695 120.216 -0.521 18681 5710 1 8 . 1 1 100 100 TYR HA H 100 4.179 4.179 3.976 0.203 18681 5711 1 8 . 1 1 100 100 TYR CA C 100 60.511 60.511 61.714 -1.203 18681 5712 1 8 . 1 1 100 100 TYR CB C 100 37.397 37.397 38.238 -0.841 18681 5713 1 8 . 1 1 100 100 TYR H H 100 7.699 7.699 7.886 -0.187 18681 5714 1 8 . 1 1 101 101 ALA N N 101 123.078 123.078 120.521 2.557 18681 5715 1 8 . 1 1 101 101 ALA HA H 101 2.916 2.916 3.681 -0.765 18681 5716 1 8 . 1 1 101 101 ALA CA C 101 55.042 55.042 54.933 0.109 18681 5717 1 8 . 1 1 101 101 ALA CB C 101 16.049 16.049 17.496 -1.447 18681 5718 1 8 . 1 1 101 101 ALA H H 101 7.385 7.385 7.826 -0.441 18681 5719 1 8 . 1 1 102 102 ASP N N 102 117.073 117.073 118.956 -1.883 18681 5720 1 8 . 1 1 102 102 ASP HA H 102 4.287 4.287 4.281 0.006 18681 5721 1 8 . 1 1 102 102 ASP CA C 102 57.049 57.049 57.504 -0.455 18681 5722 1 8 . 1 1 102 102 ASP CB C 102 42.898 42.898 40.751 2.147 18681 5723 1 8 . 1 1 102 102 ASP H H 102 8.539 8.539 7.864 0.675 18681 5724 1 8 . 1 1 103 103 ASN N N 103 116.630 116.630 118.032 -1.402 18681 5725 1 8 . 1 1 103 103 ASN HA H 103 4.264 4.264 4.343 -0.079 18681 5726 1 8 . 1 1 103 103 ASN CA C 103 56.386 56.386 56.296 0.090 18681 5727 1 8 . 1 1 103 103 ASN CB C 103 38.332 38.332 38.589 -0.257 18681 5728 1 8 . 1 1 103 103 ASN H H 103 7.970 7.970 8.333 -0.363 18681 5729 1 8 . 1 1 104 104 GLU N N 104 118.811 118.811 119.672 -0.861 18681 5730 1 8 . 1 1 104 104 GLU HA H 104 3.619 3.619 3.846 -0.227 18681 5731 1 8 . 1 1 104 104 GLU CA C 104 58.982 58.982 59.277 -0.295 18681 5732 1 8 . 1 1 104 104 GLU H H 104 7.474 7.474 7.805 -0.331 18681 5733 1 8 . 1 1 105 105 ASP N N 105 120.013 120.013 119.473 0.540 18681 5734 1 8 . 1 1 105 105 ASP HA H 105 3.818 3.818 4.413 -0.595 18681 5735 1 8 . 1 1 105 105 ASP CA C 105 57.508 57.508 56.773 0.735 18681 5736 1 8 . 1 1 105 105 ASP CB C 105 43.738 43.738 40.896 2.842 18681 5737 1 8 . 1 1 105 105 ASP H H 105 8.212 8.212 7.854 0.358 18681 5738 1 8 . 1 1 106 106 ARG N N 106 116.747 116.747 119.458 -2.711 18681 5739 1 8 . 1 1 106 106 ARG HA H 106 3.804 3.804 4.117 -0.313 18681 5740 1 8 . 1 1 106 106 ARG CA C 106 59.150 59.150 58.217 0.933 18681 5741 1 8 . 1 1 106 106 ARG CB C 106 30.083 30.083 30.120 -0.038 18681 5742 1 8 . 1 1 106 106 ARG H H 106 8.532 8.532 7.682 0.850 18681 5743 1 8 . 1 1 107 107 ALA N N 107 119.388 119.388 118.405 0.983 18681 5744 1 8 . 1 1 107 107 ALA HA H 107 4.232 4.232 4.119 0.113 18681 5745 1 8 . 1 1 107 107 ALA CA C 107 51.407 51.407 53.152 -1.745 18681 5746 1 8 . 1 1 107 107 ALA CB C 107 18.572 18.572 19.242 -0.670 18681 5747 1 8 . 1 1 107 107 ALA H H 107 7.302 7.302 7.813 -0.511 18681 5748 1 8 . 1 1 108 108 GLY N N 108 108.840 108.840 104.810 4.030 18681 5749 1 8 . 1 1 108 108 GLY CA C 108 45.735 45.735 44.494 1.241 18681 5750 1 8 . 1 1 108 108 GLY H H 108 7.905 7.905 7.568 0.337 18681 5751 1 8 . 1 1 109 109 ARG N N 109 121.140 121.140 120.779 0.361 18681 5752 1 8 . 1 1 109 109 ARG HA H 109 4.126 4.126 3.826 0.300 18681 5753 1 8 . 1 1 109 109 ARG CA C 109 55.361 55.361 55.429 -0.068 18681 5754 1 8 . 1 1 109 109 ARG H H 109 7.642 7.642 7.129 0.513 18681 5755 1 8 . 1 1 110 110 PHE N N 110 119.534 119.534 121.338 -1.804 18681 5756 1 8 . 1 1 110 110 PHE HA H 110 4.950 4.950 4.802 0.148 18681 5757 1 8 . 1 1 110 110 PHE CA C 110 55.415 55.415 56.756 -1.341 18681 5758 1 8 . 1 1 110 110 PHE H H 110 7.644 7.644 8.024 -0.380 18681 5759 1 8 . 1 1 111 111 HIS N N 111 116.408 116.408 120.126 -3.718 18681 5760 1 8 . 1 1 111 111 HIS HA H 111 4.757 4.757 4.871 -0.114 18681 5761 1 8 . 1 1 111 111 HIS CB C 111 32.022 32.022 33.798 -1.776 18681 5762 1 8 . 1 1 111 111 HIS H H 111 6.789 6.789 8.023 -1.234 18681 5763 1 8 . 1 1 112 112 LYS N N 112 119.836 119.836 120.801 -0.965 18681 5764 1 8 . 1 1 112 112 LYS HA H 112 4.059 4.059 4.121 -0.062 18681 5765 1 8 . 1 1 112 112 LYS H H 112 8.267 8.267 8.885 -0.618 18681 5766 1 8 . 1 1 113 113 ASN N N 113 118.047 118.047 118.823 -0.776 18681 5767 1 8 . 1 1 113 113 ASN HA H 113 4.737 4.737 4.556 0.181 18681 5768 1 8 . 1 1 113 113 ASN CB C 113 38.295 38.295 37.945 0.350 18681 5769 1 8 . 1 1 113 113 ASN H H 113 8.831 8.831 8.377 0.454 18681 5770 1 8 . 1 1 114 114 MET N N 114 119.081 119.081 119.714 -0.633 18681 5771 1 8 . 1 1 114 114 MET HA H 114 4.379 4.379 4.016 0.363 18681 5772 1 8 . 1 1 114 114 MET CA C 114 58.194 58.194 59.574 -1.380 18681 5773 1 8 . 1 1 114 114 MET H H 114 8.520 8.520 7.716 0.804 18681 5774 1 8 . 1 1 115 115 ILE N N 115 125.193 125.193 119.062 6.131 18681 5775 1 8 . 1 1 115 115 ILE HA H 115 3.651 3.651 4.056 -0.405 18681 5776 1 8 . 1 1 115 115 ILE CA C 115 66.869 66.869 63.487 3.382 18681 5777 1 8 . 1 1 115 115 ILE CB C 115 39.162 39.162 36.493 2.669 18681 5778 1 8 . 1 1 115 115 ILE H H 115 7.737 7.737 8.115 -0.378 18681 5779 1 8 . 1 1 116 116 LYS N N 116 118.190 118.190 120.645 -2.455 18681 5780 1 8 . 1 1 116 116 LYS HA H 116 4.150 4.150 4.023 0.127 18681 5781 1 8 . 1 1 116 116 LYS CA C 116 59.379 59.379 60.585 -1.206 18681 5782 1 8 . 1 1 116 116 LYS CB C 116 32.097 32.097 32.263 -0.166 18681 5783 1 8 . 1 1 116 116 LYS H H 116 8.393 8.393 8.189 0.204 18681 5784 1 8 . 1 1 117 117 SER N N 117 117.471 117.471 116.364 1.107 18681 5785 1 8 . 1 1 117 117 SER HA H 117 4.096 4.096 4.295 -0.199 18681 5786 1 8 . 1 1 117 117 SER CA C 117 63.167 63.167 61.551 1.616 18681 5787 1 8 . 1 1 117 117 SER CB C 117 63.135 63.135 62.294 0.841 18681 5788 1 8 . 1 1 117 117 SER H H 117 8.138 8.138 8.725 -0.587 18681 5789 1 8 . 1 1 118 118 PHE N N 118 121.885 121.885 122.060 -0.175 18681 5790 1 8 . 1 1 118 118 PHE HA H 118 4.408 4.408 4.385 0.023 18681 5791 1 8 . 1 1 118 118 PHE CA C 118 61.176 61.176 61.790 -0.614 18681 5792 1 8 . 1 1 118 118 PHE CB C 118 38.889 38.889 38.316 0.573 18681 5793 1 8 . 1 1 118 118 PHE H H 118 8.168 8.168 7.688 0.480 18681 5794 1 8 . 1 1 119 119 TYR N N 119 118.356 118.356 120.593 -2.237 18681 5795 1 8 . 1 1 119 119 TYR HA H 119 3.935 3.935 4.134 -0.199 18681 5796 1 8 . 1 1 119 119 TYR CA C 119 62.261 62.261 62.846 -0.585 18681 5797 1 8 . 1 1 119 119 TYR CB C 119 38.498 38.498 38.748 -0.250 18681 5798 1 8 . 1 1 119 119 TYR H H 119 8.693 8.693 8.931 -0.238 18681 5799 1 8 . 1 1 120 120 THR N N 120 117.468 117.468 116.324 1.144 18681 5800 1 8 . 1 1 120 120 THR HA H 120 3.705 3.705 3.981 -0.276 18681 5801 1 8 . 1 1 120 120 THR CA C 120 67.393 67.393 66.990 0.403 18681 5802 1 8 . 1 1 120 120 THR CB C 120 68.041 68.041 68.296 -0.255 18681 5803 1 8 . 1 1 120 120 THR H H 120 9.582 9.582 8.790 0.792 18681 5804 1 8 . 1 1 121 121 ALA N N 121 124.210 124.210 124.259 -0.049 18681 5805 1 8 . 1 1 121 121 ALA HA H 121 3.940 3.940 3.990 -0.050 18681 5806 1 8 . 1 1 121 121 ALA CA C 121 56.508 56.508 55.479 1.029 18681 5807 1 8 . 1 1 121 121 ALA CB C 121 17.325 17.325 18.051 -0.726 18681 5808 1 8 . 1 1 121 121 ALA H H 121 8.444 8.444 8.422 0.022 18681 5809 1 8 . 1 1 122 122 SER N N 122 111.334 111.334 114.553 -3.219 18681 5810 1 8 . 1 1 122 122 SER HA H 122 4.009 4.009 4.107 -0.098 18681 5811 1 8 . 1 1 122 122 SER CA C 122 62.531 62.531 61.318 1.213 18681 5812 1 8 . 1 1 122 122 SER CB C 122 63.051 63.051 63.046 0.005 18681 5813 1 8 . 1 1 122 122 SER H H 122 7.724 7.724 7.915 -0.191 18681 5814 1 8 . 1 1 123 123 LEU N N 123 122.307 122.307 123.253 -0.946 18681 5815 1 8 . 1 1 123 123 LEU HA H 123 4.092 4.092 4.102 -0.010 18681 5816 1 8 . 1 1 123 123 LEU CA C 123 57.100 57.100 58.303 -1.203 18681 5817 1 8 . 1 1 123 123 LEU CB C 123 41.615 41.615 41.835 -0.220 18681 5818 1 8 . 1 1 123 123 LEU H H 123 7.507 7.507 7.605 -0.098 18681 5819 1 8 . 1 1 124 124 LEU N N 124 117.851 117.851 120.202 -2.351 18681 5820 1 8 . 1 1 124 124 LEU HA H 124 3.935 3.935 3.863 0.072 18681 5821 1 8 . 1 1 124 124 LEU CA C 124 56.967 56.967 58.236 -1.270 18681 5822 1 8 . 1 1 124 124 LEU CB C 124 41.832 41.832 41.935 -0.103 18681 5823 1 8 . 1 1 124 124 LEU H H 124 8.457 8.457 8.019 0.438 18681 5824 1 8 . 1 1 125 125 ILE N N 125 118.695 118.695 119.691 -0.996 18681 5825 1 8 . 1 1 125 125 ILE HA H 125 3.718 3.718 3.412 0.306 18681 5826 1 8 . 1 1 125 125 ILE CA C 125 65.097 65.097 65.740 -0.644 18681 5827 1 8 . 1 1 125 125 ILE CB C 125 36.775 36.775 37.427 -0.652 18681 5828 1 8 . 1 1 125 125 ILE H H 125 7.766 7.766 7.974 -0.208 18681 5829 1 8 . 1 1 126 126 ASP N N 126 117.428 117.428 120.171 -2.743 18681 5830 1 8 . 1 1 126 126 ASP HA H 126 4.128 4.128 4.194 -0.066 18681 5831 1 8 . 1 1 126 126 ASP CA C 126 57.998 57.998 57.404 0.594 18681 5832 1 8 . 1 1 126 126 ASP CB C 126 39.372 39.372 39.952 -0.580 18681 5833 1 8 . 1 1 126 126 ASP H H 126 7.288 7.288 7.944 -0.656 18681 5834 1 8 . 1 1 127 127 VAL N N 127 120.003 120.003 117.966 2.037 18681 5835 1 8 . 1 1 127 127 VAL HA H 127 2.992 2.992 3.480 -0.488 18681 5836 1 8 . 1 1 127 127 VAL CA C 127 65.615 65.615 65.430 0.185 18681 5837 1 8 . 1 1 127 127 VAL CB C 127 30.498 30.498 31.499 -1.001 18681 5838 1 8 . 1 1 127 127 VAL H H 127 7.366 7.366 7.413 -0.047 18681 5839 1 8 . 1 1 128 128 ILE N N 128 117.743 117.743 117.392 0.351 18681 5840 1 8 . 1 1 128 128 ILE HA H 128 3.956 3.956 4.007 -0.051 18681 5841 1 8 . 1 1 128 128 ILE CA C 128 64.219 64.219 64.213 0.006 18681 5842 1 8 . 1 1 128 128 ILE CB C 128 37.930 37.930 37.975 -0.045 18681 5843 1 8 . 1 1 128 128 ILE H H 128 7.727 7.727 7.362 0.365 18681 5844 1 8 . 1 1 129 129 THR N N 129 114.535 114.535 115.031 -0.496 18681 5845 1 8 . 1 1 129 129 THR HA H 129 4.638 4.638 4.005 0.633 18681 5846 1 8 . 1 1 129 129 THR CA C 129 64.808 64.808 66.257 -1.448 18681 5847 1 8 . 1 1 129 129 THR CB C 129 69.759 69.759 68.738 1.021 18681 5848 1 8 . 1 1 129 129 THR H H 129 7.873 7.873 7.798 0.075 18681 5849 1 8 . 1 1 130 130 VAL N N 130 118.351 118.351 119.378 -1.027 18681 5850 1 8 . 1 1 130 130 VAL HA H 130 4.014 4.014 3.695 0.319 18681 5851 1 8 . 1 1 130 130 VAL CA C 130 64.220 64.220 64.904 -0.684 18681 5852 1 8 . 1 1 130 130 VAL CB C 130 31.307 31.307 30.714 0.593 18681 5853 1 8 . 1 1 130 130 VAL H H 130 8.381 8.381 7.510 0.871 18681 5854 1 8 . 1 1 131 131 PHE N N 131 117.227 117.227 119.565 -2.338 18681 5855 1 8 . 1 1 131 131 PHE HA H 131 4.567 4.567 4.375 0.192 18681 5856 1 8 . 1 1 131 131 PHE CA C 131 57.840 57.840 59.303 -1.464 18681 5857 1 8 . 1 1 131 131 PHE CB C 131 39.029 39.029 38.971 0.058 18681 5858 1 8 . 1 1 131 131 PHE H H 131 7.638 7.638 7.605 0.033 18681 5859 1 8 . 1 1 132 132 GLY N N 132 106.811 106.811 107.018 -0.207 18681 5860 1 8 . 1 1 132 132 GLY CA C 132 43.921 43.921 45.387 -1.466 18681 5861 1 8 . 1 1 132 132 GLY H H 132 7.433 7.433 8.253 -0.820 18681 5862 1 8 . 1 1 133 133 GLU N N 133 119.340 119.340 119.789 -0.449 18681 5863 1 8 . 1 1 133 133 GLU HA H 133 4.082 4.082 4.530 -0.448 18681 5864 1 8 . 1 1 133 133 GLU CA C 133 56.504 56.504 55.299 1.205 18681 5865 1 8 . 1 1 133 133 GLU CB C 133 30.184 30.184 30.137 0.047 18681 5866 1 8 . 1 1 133 133 GLU H H 133 8.278 8.278 8.331 -0.053 18681 5867 1 8 . 1 1 134 134 LEU N N 134 122.134 122.134 123.820 -1.686 18681 5868 1 8 . 1 1 134 134 LEU HA H 134 4.405 4.405 4.602 -0.197 18681 5869 1 8 . 1 1 134 134 LEU CA C 134 54.169 54.169 54.318 -0.149 18681 5870 1 8 . 1 1 134 134 LEU CB C 134 43.997 43.997 43.425 0.572 18681 5871 1 8 . 1 1 134 134 LEU H H 134 8.410 8.410 8.345 0.065 18681 5872 1 8 . 1 1 135 135 THR N N 135 112.032 112.032 116.466 -4.434 18681 5873 1 8 . 1 1 135 135 THR HA H 135 4.220 4.220 4.517 -0.297 18681 5874 1 8 . 1 1 135 135 THR CA C 135 60.449 60.449 59.326 1.123 18681 5875 1 8 . 1 1 135 135 THR CB C 135 70.386 70.386 70.646 -0.260 18681 5876 1 8 . 1 1 135 135 THR H H 135 8.192 8.192 8.185 0.007 18681 5877 1 8 . 1 1 136 136 ASP N N 136 121.429 121.429 124.132 -2.703 18681 5878 1 8 . 1 1 136 136 ASP HA H 136 4.191 4.191 4.385 -0.194 18681 5879 1 8 . 1 1 136 136 ASP CA C 136 57.415 57.415 57.131 0.284 18681 5880 1 8 . 1 1 136 136 ASP CB C 136 40.518 40.518 40.681 -0.163 18681 5881 1 8 . 1 1 136 136 ASP H H 136 8.793 8.793 8.810 -0.017 18681 5882 1 8 . 1 1 137 137 GLU N N 137 117.727 117.727 119.429 -1.702 18681 5883 1 8 . 1 1 137 137 GLU HA H 137 3.670 3.670 3.989 -0.319 18681 5884 1 8 . 1 1 137 137 GLU CA C 137 59.503 59.503 59.664 -0.161 18681 5885 1 8 . 1 1 137 137 GLU CB C 137 29.175 29.175 28.915 0.260 18681 5886 1 8 . 1 1 137 137 GLU H H 137 8.427 8.427 7.786 0.641 18681 5887 1 8 . 1 1 138 138 ASN N N 138 118.528 118.528 117.343 1.185 18681 5888 1 8 . 1 1 138 138 ASN HA H 138 4.488 4.488 4.386 0.102 18681 5889 1 8 . 1 1 138 138 ASN CA C 138 55.536 55.536 56.251 -0.715 18681 5890 1 8 . 1 1 138 138 ASN CB C 138 37.903 37.903 37.679 0.224 18681 5891 1 8 . 1 1 138 138 ASN H H 138 7.504 7.504 8.266 -0.762 18681 5892 1 8 . 1 1 139 139 VAL N N 139 122.269 122.269 120.443 1.826 18681 5893 1 8 . 1 1 139 139 VAL HA H 139 3.383 3.383 3.524 -0.141 18681 5894 1 8 . 1 1 139 139 VAL CA C 139 67.168 67.168 66.722 0.446 18681 5895 1 8 . 1 1 139 139 VAL CB C 139 31.765 31.765 31.304 0.461 18681 5896 1 8 . 1 1 139 139 VAL H H 139 8.249 8.249 7.944 0.305 18681 5897 1 8 . 1 1 140 140 LYS HA H 140 3.947 3.947 3.886 0.061 18681 5898 1 8 . 1 1 140 140 LYS CA C 140 59.691 59.691 59.800 -0.109 18681 5899 1 8 . 1 1 140 140 LYS CB C 140 32.044 32.044 32.092 -0.048 18681 5900 1 8 . 1 1 140 140 LYS H H 140 7.994 7.994 8.351 -0.357 18681 5901 1 8 . 1 1 141 141 HIS N N 141 117.389 117.389 119.071 -1.682 18681 5902 1 8 . 1 1 141 141 HIS HA H 141 4.296 4.296 4.119 0.177 18681 5903 1 8 . 1 1 141 141 HIS CA C 141 57.657 57.657 59.735 -2.078 18681 5904 1 8 . 1 1 141 141 HIS CB C 141 28.500 28.500 30.048 -1.548 18681 5905 1 8 . 1 1 141 141 HIS H H 141 8.491 8.491 8.552 -0.061 18681 5906 1 8 . 1 1 142 142 ARG HA H 142 3.728 3.728 3.905 -0.177 18681 5907 1 8 . 1 1 142 142 ARG CA C 142 61.356 61.356 59.979 1.377 18681 5908 1 8 . 1 1 142 142 ARG H H 142 8.529 8.529 8.515 0.014 18681 5909 1 8 . 1 1 143 143 LYS N N 143 117.710 117.710 118.290 -0.580 18681 5910 1 8 . 1 1 143 143 LYS HA H 143 4.050 4.050 3.492 0.558 18681 5911 1 8 . 1 1 143 143 LYS CA C 143 59.368 59.368 58.642 0.726 18681 5912 1 8 . 1 1 143 143 LYS CB C 143 32.794 32.794 31.449 1.345 18681 5913 1 8 . 1 1 143 143 LYS H H 143 7.664 7.664 7.518 0.146 18681 5914 1 8 . 1 1 144 144 TYR HA H 144 4.275 4.275 3.713 0.562 18681 5915 1 8 . 1 1 144 144 TYR CA C 144 62.445 62.445 61.454 0.991 18681 5916 1 8 . 1 1 144 144 TYR CB C 144 39.542 39.542 38.138 1.404 18681 5917 1 8 . 1 1 144 144 TYR H H 144 8.269 8.269 7.821 0.448 18681 5918 1 8 . 1 1 145 145 ALA N N 145 118.744 118.744 120.712 -1.968 18681 5919 1 8 . 1 1 145 145 ALA HA H 145 3.667 3.667 3.729 -0.062 18681 5920 1 8 . 1 1 145 145 ALA CA C 145 54.777 54.777 54.865 -0.088 18681 5921 1 8 . 1 1 145 145 ALA CB C 145 18.761 18.761 18.142 0.619 18681 5922 1 8 . 1 1 145 145 ALA H H 145 8.825 8.825 8.279 0.546 18681 5923 1 8 . 1 1 146 146 ARG N N 146 116.092 116.092 119.630 -3.538 18681 5924 1 8 . 1 1 146 146 ARG HA H 146 3.865 3.865 4.055 -0.190 18681 5925 1 8 . 1 1 146 146 ARG CA C 146 59.666 59.666 59.041 0.625 18681 5926 1 8 . 1 1 146 146 ARG CB C 146 30.400 30.400 29.589 0.811 18681 5927 1 8 . 1 1 146 146 ARG H H 146 8.024 8.024 7.940 0.084 18681 5928 1 8 . 1 1 147 147 TRP N N 147 119.666 119.666 118.501 1.165 18681 5929 1 8 . 1 1 147 147 TRP HA H 147 4.224 4.224 4.471 -0.247 18681 5930 1 8 . 1 1 147 147 TRP CA C 147 60.996 60.996 58.103 2.893 18681 5931 1 8 . 1 1 147 147 TRP CB C 147 28.593 28.593 28.336 0.257 18681 5932 1 8 . 1 1 147 147 TRP H H 147 8.014 8.014 7.580 0.434 18681 5933 1 8 . 1 1 148 148 LYS N N 148 118.775 118.775 120.463 -1.688 18681 5934 1 8 . 1 1 148 148 LYS HA H 148 3.212 3.212 3.696 -0.484 18681 5935 1 8 . 1 1 148 148 LYS CA C 148 58.399 58.399 59.519 -1.119 18681 5936 1 8 . 1 1 148 148 LYS CB C 148 30.846 30.846 31.683 -0.838 18681 5937 1 8 . 1 1 148 148 LYS H H 148 8.619 8.619 7.911 0.708 18681 5938 1 8 . 1 1 149 149 ALA HA H 149 3.889 3.889 3.997 -0.108 18681 5939 1 8 . 1 1 149 149 ALA CA C 149 55.906 55.906 55.548 0.358 18681 5940 1 8 . 1 1 149 149 ALA CB C 149 18.443 18.443 18.303 0.140 18681 5941 1 8 . 1 1 149 149 ALA H H 149 7.813 7.813 8.197 -0.384 18681 5942 1 8 . 1 1 150 150 THR N N 150 112.174 112.174 116.289 -4.115 18681 5943 1 8 . 1 1 150 150 THR HA H 150 3.721 3.721 4.088 -0.367 18681 5944 1 8 . 1 1 150 150 THR CA C 150 66.282 66.282 67.831 -1.549 18681 5945 1 8 . 1 1 150 150 THR CB C 150 68.853 68.853 68.960 -0.107 18681 5946 1 8 . 1 1 150 150 THR H H 150 7.232 7.232 7.861 -0.629 18681 5947 1 8 . 1 1 151 151 TYR N N 151 123.353 123.353 123.405 -0.052 18681 5948 1 8 . 1 1 151 151 TYR HA H 151 4.005 4.005 4.108 -0.103 18681 5949 1 8 . 1 1 151 151 TYR CA C 151 60.334 60.334 62.419 -2.085 18681 5950 1 8 . 1 1 151 151 TYR CB C 151 38.246 38.246 38.358 -0.112 18681 5951 1 8 . 1 1 151 151 TYR H H 151 8.513 8.513 8.435 0.078 18681 5952 1 8 . 1 1 152 152 ILE N N 152 119.933 119.933 118.497 1.436 18681 5953 1 8 . 1 1 152 152 ILE HA H 152 2.789 2.789 3.485 -0.696 18681 5954 1 8 . 1 1 152 152 ILE CA C 152 65.885 65.885 65.506 0.379 18681 5955 1 8 . 1 1 152 152 ILE CB C 152 38.194 38.194 37.834 0.360 18681 5956 1 8 . 1 1 152 152 ILE H H 152 8.860 8.860 8.255 0.605 18681 5957 1 8 . 1 1 153 153 HIS N N 153 117.221 117.221 119.511 -2.290 18681 5958 1 8 . 1 1 153 153 HIS HA H 153 3.957 3.957 4.128 -0.171 18681 5959 1 8 . 1 1 153 153 HIS CA C 153 60.290 60.290 60.662 -0.372 18681 5960 1 8 . 1 1 153 153 HIS CB C 153 30.363 30.363 29.745 0.618 18681 5961 1 8 . 1 1 153 153 HIS H H 153 7.757 7.757 8.620 -0.863 18681 5962 1 8 . 1 1 154 154 ASN N N 154 117.429 117.429 117.746 -0.317 18681 5963 1 8 . 1 1 154 154 ASN HA H 154 4.124 4.124 4.296 -0.172 18681 5964 1 8 . 1 1 154 154 ASN CA C 154 55.977 55.977 55.871 0.106 18681 5965 1 8 . 1 1 154 154 ASN CB C 154 37.579 37.579 38.569 -0.990 18681 5966 1 8 . 1 1 154 154 ASN H H 154 8.355 8.355 8.551 -0.196 18681 5967 1 8 . 1 1 155 155 CYS N N 155 118.306 118.306 119.906 -1.600 18681 5968 1 8 . 1 1 155 155 CYS HA H 155 3.881 3.881 3.887 -0.006 18681 5969 1 8 . 1 1 155 155 CYS CA C 155 64.039 64.039 62.871 1.168 18681 5970 1 8 . 1 1 155 155 CYS CB C 155 26.124 26.124 26.777 -0.653 18681 5971 1 8 . 1 1 155 155 CYS H H 155 8.020 8.020 7.807 0.213 18681 5972 1 8 . 1 1 156 156 LEU N N 156 118.448 118.448 120.108 -1.660 18681 5973 1 8 . 1 1 156 156 LEU HA H 156 3.944 3.944 3.901 0.043 18681 5974 1 8 . 1 1 156 156 LEU CA C 156 57.844 57.844 57.695 0.149 18681 5975 1 8 . 1 1 156 156 LEU CB C 156 40.196 40.196 41.609 -1.413 18681 5976 1 8 . 1 1 156 156 LEU H H 156 8.139 8.139 8.228 -0.089 18681 5977 1 8 . 1 1 157 157 LYS N N 157 120.180 120.180 121.145 -0.965 18681 5978 1 8 . 1 1 157 157 LYS HA H 157 3.896 3.896 3.873 0.023 18681 5979 1 8 . 1 1 157 157 LYS CA C 157 58.474 58.474 58.952 -0.478 18681 5980 1 8 . 1 1 157 157 LYS CB C 157 31.852 31.852 32.162 -0.310 18681 5981 1 8 . 1 1 157 157 LYS H H 157 7.912 7.912 7.960 -0.048 18681 5982 1 8 . 1 1 158 158 ASN N N 158 115.220 115.220 114.620 0.600 18681 5983 1 8 . 1 1 158 158 ASN HA H 158 4.730 4.730 4.722 0.008 18681 5984 1 8 . 1 1 158 158 ASN CB C 158 39.411 39.411 38.943 0.468 18681 5985 1 8 . 1 1 158 158 ASN H H 158 7.422 7.422 7.766 -0.344 18681 5986 1 8 . 1 1 159 159 GLY N N 159 108.815 108.815 108.350 0.465 18681 5987 1 8 . 1 1 159 159 GLY CA C 159 46.296 46.296 45.603 0.693 18681 5988 1 8 . 1 1 159 159 GLY H H 159 7.752 7.752 7.821 -0.069 18681 5989 1 8 . 1 1 160 160 GLU N N 160 119.601 119.601 119.750 -0.149 18681 5990 1 8 . 1 1 160 160 GLU HA H 160 4.421 4.421 4.604 -0.183 18681 5991 1 8 . 1 1 160 160 GLU CA C 160 54.102 54.102 54.523 -0.421 18681 5992 1 8 . 1 1 160 160 GLU CB C 160 31.969 31.969 32.575 -0.606 18681 5993 1 8 . 1 1 160 160 GLU H H 160 8.174 8.174 8.304 -0.130 18681 5994 1 8 . 1 1 161 161 THR N N 161 120.600 120.600 118.912 1.688 18681 5995 1 8 . 1 1 161 161 THR HA H 161 4.341 4.341 4.426 -0.085 18681 5996 1 8 . 1 1 161 161 THR CB C 161 69.624 69.624 68.776 0.848 18681 5997 1 8 . 1 1 161 161 THR H H 161 8.714 8.714 8.289 0.425 18681 5998 1 8 . 1 1 162 162 PRO HA H 162 4.277 4.277 4.465 -0.188 18681 5999 1 8 . 1 1 162 162 PRO CA C 162 61.790 61.790 62.486 -0.696 18681 6000 1 8 . 1 1 162 162 PRO CB C 162 31.178 31.178 31.986 -0.808 18681 6001 1 9 . 1 1 2 2 ALA N N 2 125.894 125.894 124.320 1.574 18681 6002 1 9 . 1 1 2 2 ALA HA H 2 4.192 4.192 4.427 -0.235 18681 6003 1 9 . 1 1 2 2 ALA CA C 2 52.096 52.096 52.131 -0.035 18681 6004 1 9 . 1 1 2 2 ALA CB C 2 19.072 19.072 19.563 -0.491 18681 6005 1 9 . 1 1 2 2 ALA H H 2 8.413 8.413 8.371 0.042 18681 6006 1 9 . 1 1 3 3 ALA N N 3 123.543 123.543 123.876 -0.333 18681 6007 1 9 . 1 1 3 3 ALA HA H 3 4.226 4.226 4.610 -0.384 18681 6008 1 9 . 1 1 3 3 ALA CA C 3 51.943 51.943 51.546 0.397 18681 6009 1 9 . 1 1 3 3 ALA CB C 3 18.992 18.992 20.059 -1.067 18681 6010 1 9 . 1 1 3 3 ALA H H 3 8.233 8.233 8.343 -0.110 18681 6011 1 9 . 1 1 4 4 LEU N N 4 121.641 121.641 122.204 -0.563 18681 6012 1 9 . 1 1 4 4 LEU HA H 4 4.284 4.284 4.512 -0.228 18681 6013 1 9 . 1 1 4 4 LEU CA C 4 53.885 53.885 53.888 -0.003 18681 6014 1 9 . 1 1 4 4 LEU CB C 4 42.307 42.307 42.719 -0.412 18681 6015 1 9 . 1 1 4 4 LEU H H 4 8.114 8.114 8.437 -0.323 18681 6016 1 9 . 1 1 5 5 ALA N N 5 128.329 128.329 124.438 3.891 18681 6017 1 9 . 1 1 5 5 ALA HA H 5 4.453 4.453 4.365 0.088 18681 6018 1 9 . 1 1 5 5 ALA CA C 5 50.164 50.164 50.490 -0.326 18681 6019 1 9 . 1 1 5 5 ALA CB C 5 17.687 17.687 18.389 -0.702 18681 6020 1 9 . 1 1 5 5 ALA H H 5 8.623 8.623 8.224 0.399 18681 6021 1 9 . 1 1 6 6 PRO HA H 6 4.274 4.274 4.463 -0.189 18681 6022 1 9 . 1 1 6 6 PRO CA C 6 62.403 62.403 62.727 -0.324 18681 6023 1 9 . 1 1 6 6 PRO CB C 6 32.105 32.105 32.426 -0.321 18681 6024 1 9 . 1 1 7 7 LEU N N 7 122.228 122.228 122.371 -0.143 18681 6025 1 9 . 1 1 7 7 LEU HA H 7 4.324 4.324 4.774 -0.450 18681 6026 1 9 . 1 1 7 7 LEU CA C 7 52.914 52.914 51.807 1.107 18681 6027 1 9 . 1 1 7 7 LEU CB C 7 40.952 40.952 43.049 -2.097 18681 6028 1 9 . 1 1 7 7 LEU H H 7 8.264 8.264 8.257 0.007 18681 6029 1 9 . 1 1 8 8 PRO HA H 8 4.745 4.745 4.701 0.044 18681 6030 1 9 . 1 1 9 9 PRO HA H 9 4.200 4.200 4.264 -0.064 18681 6031 1 9 . 1 1 9 9 PRO CA C 9 62.648 62.648 63.417 -0.769 18681 6032 1 9 . 1 1 9 9 PRO CB C 9 31.646 31.646 32.181 -0.535 18681 6033 1 9 . 1 1 10 10 LEU N N 10 125.824 125.824 125.179 0.645 18681 6034 1 9 . 1 1 10 10 LEU HA H 10 3.742 3.742 4.220 -0.478 18681 6035 1 9 . 1 1 10 10 LEU CA C 10 53.064 53.064 53.355 -0.291 18681 6036 1 9 . 1 1 10 10 LEU CB C 10 42.980 42.980 42.533 0.447 18681 6037 1 9 . 1 1 10 10 LEU H H 10 8.172 8.172 8.243 -0.071 18681 6038 1 9 . 1 1 11 11 PRO HA H 11 4.175 4.175 4.220 -0.045 18681 6039 1 9 . 1 1 11 11 PRO CA C 11 62.124 62.124 62.403 -0.279 18681 6040 1 9 . 1 1 11 11 PRO CB C 11 32.442 32.442 32.052 0.390 18681 6041 1 9 . 1 1 12 12 ALA N N 12 128.292 128.292 125.597 2.695 18681 6042 1 9 . 1 1 12 12 ALA HA H 12 3.920 3.920 3.953 -0.033 18681 6043 1 9 . 1 1 12 12 ALA CA C 12 55.057 55.057 54.618 0.439 18681 6044 1 9 . 1 1 12 12 ALA CB C 12 17.918 17.918 18.558 -0.641 18681 6045 1 9 . 1 1 12 12 ALA H H 12 8.851 8.851 8.466 0.385 18681 6046 1 9 . 1 1 13 13 GLN N N 13 115.075 115.075 117.509 -2.434 18681 6047 1 9 . 1 1 13 13 GLN HA H 13 4.024 4.024 4.023 0.001 18681 6048 1 9 . 1 1 13 13 GLN CA C 13 58.436 58.436 58.310 0.126 18681 6049 1 9 . 1 1 13 13 GLN CB C 13 28.058 28.058 28.328 -0.270 18681 6050 1 9 . 1 1 13 13 GLN H H 13 9.448 9.448 8.254 1.194 18681 6051 1 9 . 1 1 14 14 PHE N N 14 116.832 116.832 115.321 1.511 18681 6052 1 9 . 1 1 14 14 PHE HA H 14 4.865 4.865 4.649 0.216 18681 6053 1 9 . 1 1 14 14 PHE CA C 14 52.224 52.224 55.151 -2.927 18681 6054 1 9 . 1 1 14 14 PHE CB C 14 36.841 36.841 37.358 -0.518 18681 6055 1 9 . 1 1 14 14 PHE H H 14 7.970 7.970 7.283 0.687 18681 6056 1 9 . 1 1 15 15 LYS N N 15 120.886 120.886 120.393 0.493 18681 6057 1 9 . 1 1 15 15 LYS HA H 15 3.852 3.852 3.947 -0.095 18681 6058 1 9 . 1 1 15 15 LYS CA C 15 60.248 60.248 59.662 0.586 18681 6059 1 9 . 1 1 15 15 LYS CB C 15 32.137 32.137 32.354 -0.217 18681 6060 1 9 . 1 1 15 15 LYS H H 15 7.358 7.358 7.607 -0.249 18681 6061 1 9 . 1 1 16 16 SER N N 16 111.755 111.755 114.681 -2.926 18681 6062 1 9 . 1 1 16 16 SER HA H 16 4.321 4.321 4.340 -0.019 18681 6063 1 9 . 1 1 16 16 SER CA C 16 61.099 61.099 61.408 -0.309 18681 6064 1 9 . 1 1 16 16 SER CB C 16 62.700 62.700 63.172 -0.472 18681 6065 1 9 . 1 1 16 16 SER H H 16 8.733 8.733 8.208 0.525 18681 6066 1 9 . 1 1 17 17 ILE N N 17 113.676 113.676 113.875 -0.199 18681 6067 1 9 . 1 1 17 17 ILE HA H 17 6.002 6.002 4.913 1.089 18681 6068 1 9 . 1 1 17 17 ILE CA C 17 60.675 60.675 60.624 0.051 18681 6069 1 9 . 1 1 17 17 ILE CB C 17 37.907 37.907 36.516 1.391 18681 6070 1 9 . 1 1 17 17 ILE H H 17 7.692 7.692 8.154 -0.462 18681 6071 1 9 . 1 1 18 18 GLN N N 18 122.213 122.213 122.434 -0.221 18681 6072 1 9 . 1 1 18 18 GLN HA H 18 3.875 3.875 3.916 -0.041 18681 6073 1 9 . 1 1 18 18 GLN CA C 18 59.886 59.886 59.623 0.263 18681 6074 1 9 . 1 1 18 18 GLN CB C 18 29.027 29.027 28.642 0.385 18681 6075 1 9 . 1 1 18 18 GLN H H 18 7.810 7.810 7.657 0.153 18681 6076 1 9 . 1 1 19 19 HIS N N 19 118.333 118.333 116.838 1.495 18681 6077 1 9 . 1 1 19 19 HIS HA H 19 4.547 4.547 4.370 0.177 18681 6078 1 9 . 1 1 19 19 HIS CA C 19 58.358 58.358 59.616 -1.258 18681 6079 1 9 . 1 1 19 19 HIS CB C 19 30.164 30.164 29.538 0.626 18681 6080 1 9 . 1 1 19 19 HIS H H 19 9.436 9.436 8.257 1.179 18681 6081 1 9 . 1 1 20 20 HIS N N 20 124.401 124.401 119.116 5.285 18681 6082 1 9 . 1 1 20 20 HIS HA H 20 3.958 3.958 4.358 -0.400 18681 6083 1 9 . 1 1 20 20 HIS CA C 20 62.329 62.329 60.652 1.677 18681 6084 1 9 . 1 1 20 20 HIS CB C 20 30.170 30.170 29.902 0.268 18681 6085 1 9 . 1 1 20 20 HIS H H 20 8.456 8.456 8.300 0.156 18681 6086 1 9 . 1 1 21 21 LEU N N 21 118.826 118.826 117.136 1.690 18681 6087 1 9 . 1 1 21 21 LEU HA H 21 4.096 4.096 4.156 -0.060 18681 6088 1 9 . 1 1 21 21 LEU CA C 21 57.730 57.730 58.711 -0.981 18681 6089 1 9 . 1 1 21 21 LEU CB C 21 41.415 41.415 41.063 0.352 18681 6090 1 9 . 1 1 21 21 LEU H H 21 8.028 8.028 7.988 0.040 18681 6091 1 9 . 1 1 22 22 ARG N N 22 121.674 121.674 119.745 1.929 18681 6092 1 9 . 1 1 22 22 ARG HA H 22 4.227 4.227 3.969 0.258 18681 6093 1 9 . 1 1 22 22 ARG CA C 22 59.535 59.535 59.659 -0.124 18681 6094 1 9 . 1 1 22 22 ARG CB C 22 29.809 29.809 29.769 0.040 18681 6095 1 9 . 1 1 22 22 ARG H H 22 8.103 8.103 8.136 -0.033 18681 6096 1 9 . 1 1 23 23 THR N N 23 116.419 116.419 115.778 0.641 18681 6097 1 9 . 1 1 23 23 THR HA H 23 4.113 4.113 4.175 -0.062 18681 6098 1 9 . 1 1 23 23 THR CA C 23 67.072 67.072 66.710 0.362 18681 6099 1 9 . 1 1 23 23 THR CB C 23 68.245 68.245 68.566 -0.321 18681 6100 1 9 . 1 1 23 23 THR H H 23 8.208 8.208 8.338 -0.130 18681 6101 1 9 . 1 1 24 24 ALA N N 24 125.741 125.741 124.856 0.885 18681 6102 1 9 . 1 1 24 24 ALA HA H 24 3.928 3.928 4.035 -0.107 18681 6103 1 9 . 1 1 24 24 ALA CA C 24 56.675 56.675 55.364 1.311 18681 6104 1 9 . 1 1 24 24 ALA CB C 24 19.011 19.011 18.167 0.844 18681 6105 1 9 . 1 1 24 24 ALA H H 24 8.149 8.149 7.895 0.254 18681 6106 1 9 . 1 1 25 25 GLN N N 25 115.916 115.916 116.938 -1.022 18681 6107 1 9 . 1 1 25 25 GLN HA H 25 4.375 4.375 3.996 0.379 18681 6108 1 9 . 1 1 25 25 GLN CA C 25 58.060 58.060 58.769 -0.709 18681 6109 1 9 . 1 1 25 25 GLN CB C 25 28.423 28.423 28.384 0.040 18681 6110 1 9 . 1 1 25 25 GLN H H 25 7.785 7.785 8.095 -0.310 18681 6111 1 9 . 1 1 26 26 GLU N N 26 117.821 117.821 117.873 -0.052 18681 6112 1 9 . 1 1 26 26 GLU HA H 26 4.089 4.089 4.204 -0.115 18681 6113 1 9 . 1 1 26 26 GLU CA C 26 58.165 58.165 58.480 -0.315 18681 6114 1 9 . 1 1 26 26 GLU CB C 26 29.323 29.323 29.768 -0.445 18681 6115 1 9 . 1 1 26 26 GLU H H 26 8.457 8.457 7.803 0.654 18681 6116 1 9 . 1 1 27 27 HIS N N 27 115.762 115.762 119.018 -3.256 18681 6117 1 9 . 1 1 27 27 HIS HA H 27 4.380 4.380 4.445 -0.065 18681 6118 1 9 . 1 1 27 27 HIS CA C 27 59.076 59.076 59.629 -0.553 18681 6119 1 9 . 1 1 27 27 HIS CB C 27 29.049 29.049 29.398 -0.349 18681 6120 1 9 . 1 1 27 27 HIS H H 27 7.962 7.962 8.900 -0.938 18681 6121 1 9 . 1 1 28 28 ASP N N 28 123.640 123.640 119.663 3.977 18681 6122 1 9 . 1 1 28 28 ASP HA H 28 4.332 4.332 4.413 -0.081 18681 6123 1 9 . 1 1 28 28 ASP CA C 28 58.935 58.935 57.075 1.860 18681 6124 1 9 . 1 1 28 28 ASP CB C 28 40.355 40.355 40.548 -0.193 18681 6125 1 9 . 1 1 28 28 ASP H H 28 7.593 7.593 8.454 -0.861 18681 6126 1 9 . 1 1 29 29 LYS N N 29 113.398 113.398 116.931 -3.533 18681 6127 1 9 . 1 1 29 29 LYS HA H 29 4.395 4.395 4.375 0.020 18681 6128 1 9 . 1 1 29 29 LYS CA C 29 56.654 56.654 57.349 -0.695 18681 6129 1 9 . 1 1 29 29 LYS CB C 29 32.708 32.708 33.382 -0.674 18681 6130 1 9 . 1 1 29 29 LYS H H 29 8.013 8.013 7.579 0.434 18681 6131 1 9 . 1 1 30 30 ARG N N 30 117.542 117.542 118.826 -1.284 18681 6132 1 9 . 1 1 30 30 ARG HA H 30 4.244 4.244 4.125 0.119 18681 6133 1 9 . 1 1 30 30 ARG CA C 30 57.994 57.994 58.191 -0.198 18681 6134 1 9 . 1 1 30 30 ARG CB C 30 32.658 32.658 31.066 1.593 18681 6135 1 9 . 1 1 30 30 ARG H H 30 7.873 7.873 7.626 0.247 18681 6136 1 9 . 1 1 31 31 ASP N N 31 112.265 112.265 116.953 -4.688 18681 6137 1 9 . 1 1 31 31 ASP HA H 31 4.866 4.866 5.209 -0.343 18681 6138 1 9 . 1 1 31 31 ASP CA C 31 52.200 52.200 52.383 -0.183 18681 6139 1 9 . 1 1 31 31 ASP CB C 31 40.932 40.932 41.968 -1.036 18681 6140 1 9 . 1 1 31 31 ASP H H 31 8.808 8.808 8.315 0.493 18681 6141 1 9 . 1 1 32 32 PRO HA H 32 4.411 4.411 4.222 0.189 18681 6142 1 9 . 1 1 32 32 PRO CA C 32 63.963 63.963 65.504 -1.540 18681 6143 1 9 . 1 1 32 32 PRO CB C 32 32.908 32.908 32.211 0.697 18681 6144 1 9 . 1 1 33 33 VAL N N 33 117.414 117.414 117.106 0.308 18681 6145 1 9 . 1 1 33 33 VAL HA H 33 3.480 3.480 3.720 -0.240 18681 6146 1 9 . 1 1 33 33 VAL CA C 33 66.518 66.518 66.275 0.243 18681 6147 1 9 . 1 1 33 33 VAL CB C 33 31.120 31.120 31.253 -0.133 18681 6148 1 9 . 1 1 33 33 VAL H H 33 7.656 7.656 8.004 -0.348 18681 6149 1 9 . 1 1 34 34 VAL N N 34 120.456 120.456 119.746 0.710 18681 6150 1 9 . 1 1 34 34 VAL HA H 34 3.561 3.561 3.538 0.023 18681 6151 1 9 . 1 1 34 34 VAL CA C 34 66.828 66.828 66.902 -0.074 18681 6152 1 9 . 1 1 34 34 VAL CB C 34 32.442 32.442 31.164 1.278 18681 6153 1 9 . 1 1 34 34 VAL H H 34 7.234 7.234 7.409 -0.175 18681 6154 1 9 . 1 1 35 35 ALA N N 35 121.869 121.869 123.052 -1.183 18681 6155 1 9 . 1 1 35 35 ALA HA H 35 3.909 3.909 3.987 -0.078 18681 6156 1 9 . 1 1 35 35 ALA CA C 35 56.024 56.024 55.353 0.670 18681 6157 1 9 . 1 1 35 35 ALA CB C 35 19.264 19.264 18.284 0.980 18681 6158 1 9 . 1 1 35 35 ALA H H 35 8.096 8.096 7.816 0.280 18681 6159 1 9 . 1 1 36 36 TYR N N 36 117.995 117.995 120.583 -2.588 18681 6160 1 9 . 1 1 36 36 TYR HA H 36 3.826 3.826 3.914 -0.088 18681 6161 1 9 . 1 1 36 36 TYR CA C 36 62.044 62.044 62.631 -0.587 18681 6162 1 9 . 1 1 36 36 TYR CB C 36 38.136 38.136 38.325 -0.189 18681 6163 1 9 . 1 1 36 36 TYR H H 36 8.271 8.271 8.136 0.135 18681 6164 1 9 . 1 1 37 37 TYR N N 37 116.773 116.773 117.091 -0.318 18681 6165 1 9 . 1 1 37 37 TYR HA H 37 4.046 4.046 4.096 -0.050 18681 6166 1 9 . 1 1 37 37 TYR CA C 37 63.831 63.831 62.383 1.448 18681 6167 1 9 . 1 1 37 37 TYR CB C 37 37.749 37.749 38.266 -0.517 18681 6168 1 9 . 1 1 37 37 TYR H H 37 8.213 8.213 7.977 0.236 18681 6169 1 9 . 1 1 38 38 CYS N N 38 116.194 116.194 118.783 -2.589 18681 6170 1 9 . 1 1 38 38 CYS HA H 38 4.370 4.370 4.023 0.347 18681 6171 1 9 . 1 1 38 38 CYS CA C 38 64.389 64.389 63.713 0.676 18681 6172 1 9 . 1 1 38 38 CYS CB C 38 27.945 27.945 27.632 0.313 18681 6173 1 9 . 1 1 38 38 CYS H H 38 8.695 8.695 8.921 -0.226 18681 6174 1 9 . 1 1 39 39 ARG N N 39 117.023 117.023 118.819 -1.796 18681 6175 1 9 . 1 1 39 39 ARG HA H 39 3.804 3.804 4.000 -0.196 18681 6176 1 9 . 1 1 39 39 ARG CA C 39 60.198 60.198 58.981 1.217 18681 6177 1 9 . 1 1 39 39 ARG H H 39 7.005 7.005 8.508 -1.503 18681 6178 1 9 . 1 1 40 40 LEU N N 40 123.317 123.317 121.667 1.650 18681 6179 1 9 . 1 1 40 40 LEU HA H 40 3.813 3.813 3.902 -0.089 18681 6180 1 9 . 1 1 40 40 LEU CA C 40 58.181 58.181 57.501 0.680 18681 6181 1 9 . 1 1 40 40 LEU CB C 40 42.085 42.085 41.144 0.941 18681 6182 1 9 . 1 1 40 40 LEU H H 40 8.326 8.326 7.591 0.735 18681 6183 1 9 . 1 1 41 41 TYR N N 41 118.320 118.320 120.101 -1.781 18681 6184 1 9 . 1 1 41 41 TYR HA H 41 3.732 3.732 4.269 -0.537 18681 6185 1 9 . 1 1 41 41 TYR CA C 41 61.418 61.418 60.852 0.566 18681 6186 1 9 . 1 1 41 41 TYR CB C 41 38.953 38.953 37.998 0.955 18681 6187 1 9 . 1 1 41 41 TYR H H 41 8.533 8.533 7.919 0.614 18681 6188 1 9 . 1 1 42 42 ALA N N 42 123.644 123.644 121.247 2.397 18681 6189 1 9 . 1 1 42 42 ALA HA H 42 3.482 3.482 3.557 -0.075 18681 6190 1 9 . 1 1 42 42 ALA CA C 42 55.157 55.157 54.854 0.303 18681 6191 1 9 . 1 1 42 42 ALA CB C 42 18.413 18.413 18.105 0.308 18681 6192 1 9 . 1 1 42 42 ALA H H 42 7.962 7.962 7.844 0.118 18681 6193 1 9 . 1 1 43 43 MET N N 43 117.932 117.932 117.920 0.012 18681 6194 1 9 . 1 1 43 43 MET HA H 43 3.696 3.696 3.768 -0.072 18681 6195 1 9 . 1 1 43 43 MET CA C 43 58.675 58.675 59.442 -0.767 18681 6196 1 9 . 1 1 43 43 MET H H 43 8.433 8.433 8.238 0.195 18681 6197 1 9 . 1 1 44 44 GLN N N 44 116.738 116.738 118.447 -1.709 18681 6198 1 9 . 1 1 44 44 GLN HA H 44 3.773 3.773 3.892 -0.119 18681 6199 1 9 . 1 1 44 44 GLN CA C 44 58.924 58.924 58.992 -0.068 18681 6200 1 9 . 1 1 44 44 GLN CB C 44 27.921 27.921 28.548 -0.627 18681 6201 1 9 . 1 1 44 44 GLN H H 44 8.307 8.307 8.010 0.297 18681 6202 1 9 . 1 1 45 45 THR N N 45 116.249 116.249 116.383 -0.134 18681 6203 1 9 . 1 1 45 45 THR HA H 45 3.479 3.479 3.800 -0.321 18681 6204 1 9 . 1 1 45 45 THR CA C 45 66.529 66.529 66.936 -0.407 18681 6205 1 9 . 1 1 45 45 THR CB C 45 67.635 67.635 67.942 -0.307 18681 6206 1 9 . 1 1 45 45 THR H H 45 7.954 7.954 7.518 0.436 18681 6207 1 9 . 1 1 46 46 GLY N N 46 110.016 110.016 109.691 0.325 18681 6208 1 9 . 1 1 46 46 GLY CA C 46 46.653 46.653 47.139 -0.486 18681 6209 1 9 . 1 1 46 46 GLY H H 46 8.429 8.429 8.002 0.427 18681 6210 1 9 . 1 1 47 47 MET N N 47 118.040 118.040 119.568 -1.528 18681 6211 1 9 . 1 1 47 47 MET HA H 47 3.876 3.876 4.451 -0.575 18681 6212 1 9 . 1 1 47 47 MET CA C 47 58.136 58.136 58.099 0.037 18681 6213 1 9 . 1 1 47 47 MET CB C 47 32.445 32.445 32.237 0.208 18681 6214 1 9 . 1 1 47 47 MET H H 47 8.160 8.160 7.804 0.356 18681 6215 1 9 . 1 1 48 48 LYS N N 48 116.712 116.712 120.444 -3.732 18681 6216 1 9 . 1 1 48 48 LYS HA H 48 4.012 4.012 4.041 -0.029 18681 6217 1 9 . 1 1 48 48 LYS CA C 48 57.945 57.945 58.893 -0.948 18681 6218 1 9 . 1 1 48 48 LYS CB C 48 32.533 32.533 32.509 0.024 18681 6219 1 9 . 1 1 48 48 LYS H H 48 6.958 6.958 7.622 -0.664 18681 6220 1 9 . 1 1 49 49 ILE N N 49 120.903 120.903 117.020 3.883 18681 6221 1 9 . 1 1 49 49 ILE HA H 49 3.718 3.718 3.848 -0.130 18681 6222 1 9 . 1 1 49 49 ILE CA C 49 64.863 64.863 63.826 1.037 18681 6223 1 9 . 1 1 49 49 ILE CB C 49 39.087 39.087 38.897 0.191 18681 6224 1 9 . 1 1 49 49 ILE H H 49 7.609 7.609 8.270 -0.661 18681 6225 1 9 . 1 1 50 50 ASP N N 50 115.959 115.959 117.008 -1.049 18681 6226 1 9 . 1 1 50 50 ASP HA H 50 4.488 4.488 4.938 -0.450 18681 6227 1 9 . 1 1 50 50 ASP CA C 50 55.393 55.393 52.750 2.643 18681 6228 1 9 . 1 1 50 50 ASP CB C 50 40.952 40.952 41.474 -0.522 18681 6229 1 9 . 1 1 50 50 ASP H H 50 8.214 8.214 8.032 0.182 18681 6230 1 9 . 1 1 51 51 SER N N 51 115.917 115.917 119.706 -3.789 18681 6231 1 9 . 1 1 51 51 SER HA H 51 4.566 4.566 4.077 0.489 18681 6232 1 9 . 1 1 51 51 SER CA C 51 56.544 56.544 60.298 -3.754 18681 6233 1 9 . 1 1 51 51 SER CB C 51 64.126 64.126 63.513 0.613 18681 6234 1 9 . 1 1 51 51 SER H H 51 8.438 8.438 8.635 -0.197 18681 6235 1 9 . 1 1 52 52 LYS N N 52 122.213 122.213 119.819 2.394 18681 6236 1 9 . 1 1 52 52 LYS HA H 52 4.438 4.438 4.577 -0.139 18681 6237 1 9 . 1 1 52 52 LYS CB C 52 35.344 35.344 33.624 1.720 18681 6238 1 9 . 1 1 52 52 LYS H H 52 8.937 8.937 7.905 1.032 18681 6239 1 9 . 1 1 53 53 THR N N 53 122.291 122.291 119.313 2.978 18681 6240 1 9 . 1 1 53 53 THR HA H 53 4.273 4.273 4.684 -0.411 18681 6241 1 9 . 1 1 53 53 THR CA C 53 61.837 61.837 59.464 2.373 18681 6242 1 9 . 1 1 53 53 THR CB C 53 68.067 68.067 70.144 -2.077 18681 6243 1 9 . 1 1 53 53 THR H H 53 9.437 9.437 8.226 1.211 18681 6244 1 9 . 1 1 54 54 PRO HA H 54 4.050 4.050 4.191 -0.141 18681 6245 1 9 . 1 1 54 54 PRO CA C 54 66.870 66.870 65.813 1.057 18681 6246 1 9 . 1 1 54 54 PRO CB C 54 31.670 31.670 32.009 -0.339 18681 6247 1 9 . 1 1 55 55 GLU N N 55 116.532 116.532 118.106 -1.574 18681 6248 1 9 . 1 1 55 55 GLU HA H 55 4.024 4.024 4.239 -0.215 18681 6249 1 9 . 1 1 55 55 GLU CA C 55 59.870 59.870 58.905 0.965 18681 6250 1 9 . 1 1 55 55 GLU CB C 55 28.759 28.759 29.635 -0.876 18681 6251 1 9 . 1 1 55 55 GLU H H 55 9.352 9.352 8.425 0.927 18681 6252 1 9 . 1 1 56 56 CYS N N 56 119.066 119.066 119.378 -0.312 18681 6253 1 9 . 1 1 56 56 CYS HA H 56 3.759 3.759 4.136 -0.377 18681 6254 1 9 . 1 1 56 56 CYS CA C 56 63.167 63.167 62.441 0.726 18681 6255 1 9 . 1 1 56 56 CYS CB C 56 26.891 26.891 27.541 -0.650 18681 6256 1 9 . 1 1 56 56 CYS H H 56 7.126 7.126 8.441 -1.315 18681 6257 1 9 . 1 1 57 57 ARG N N 57 119.779 119.779 120.333 -0.554 18681 6258 1 9 . 1 1 57 57 ARG HA H 57 3.876 3.876 3.866 0.010 18681 6259 1 9 . 1 1 57 57 ARG CA C 57 60.025 60.025 59.672 0.353 18681 6260 1 9 . 1 1 57 57 ARG H H 57 8.252 8.252 8.102 0.149 18681 6261 1 9 . 1 1 58 58 LYS N N 58 119.155 119.155 118.693 0.462 18681 6262 1 9 . 1 1 58 58 LYS HA H 58 4.056 4.056 4.026 0.030 18681 6263 1 9 . 1 1 58 58 LYS CA C 58 59.205 59.205 59.626 -0.421 18681 6264 1 9 . 1 1 58 58 LYS CB C 58 32.127 32.127 32.284 -0.157 18681 6265 1 9 . 1 1 58 58 LYS H H 58 8.394 8.394 8.223 0.171 18681 6266 1 9 . 1 1 59 59 PHE N N 59 119.989 119.989 121.084 -1.095 18681 6267 1 9 . 1 1 59 59 PHE HA H 59 3.748 3.748 4.215 -0.467 18681 6268 1 9 . 1 1 59 59 PHE CA C 59 63.103 63.103 61.724 1.379 18681 6269 1 9 . 1 1 59 59 PHE CB C 59 39.644 39.644 39.056 0.588 18681 6270 1 9 . 1 1 59 59 PHE H H 59 7.720 7.720 8.046 -0.326 18681 6271 1 9 . 1 1 60 60 LEU N N 60 117.203 117.203 119.323 -2.120 18681 6272 1 9 . 1 1 60 60 LEU HA H 60 3.991 3.991 3.835 0.156 18681 6273 1 9 . 1 1 60 60 LEU CA C 60 57.969 57.969 58.335 -0.366 18681 6274 1 9 . 1 1 60 60 LEU CB C 60 41.187 41.187 41.405 -0.218 18681 6275 1 9 . 1 1 60 60 LEU H H 60 8.685 8.685 8.296 0.389 18681 6276 1 9 . 1 1 61 61 SER N N 61 114.724 114.724 114.949 -0.225 18681 6277 1 9 . 1 1 61 61 SER HA H 61 4.188 4.188 4.046 0.142 18681 6278 1 9 . 1 1 61 61 SER CA C 61 61.650 61.650 61.957 -0.307 18681 6279 1 9 . 1 1 61 61 SER CB C 61 62.589 62.589 63.042 -0.453 18681 6280 1 9 . 1 1 61 61 SER H H 61 8.107 8.107 8.502 -0.395 18681 6281 1 9 . 1 1 62 62 LYS N N 62 120.164 120.164 121.437 -1.273 18681 6282 1 9 . 1 1 62 62 LYS HA H 62 4.147 4.147 4.043 0.104 18681 6283 1 9 . 1 1 62 62 LYS CA C 62 57.139 57.139 58.386 -1.247 18681 6284 1 9 . 1 1 62 62 LYS CB C 62 30.881 30.881 32.142 -1.261 18681 6285 1 9 . 1 1 62 62 LYS H H 62 7.541 7.541 8.270 -0.729 18681 6286 1 9 . 1 1 63 63 LEU N N 63 123.446 123.446 122.184 1.262 18681 6287 1 9 . 1 1 63 63 LEU HA H 63 3.926 3.926 3.793 0.133 18681 6288 1 9 . 1 1 63 63 LEU CA C 63 57.709 57.709 57.660 0.049 18681 6289 1 9 . 1 1 63 63 LEU CB C 63 41.222 41.222 41.380 -0.159 18681 6290 1 9 . 1 1 63 63 LEU H H 63 8.238 8.238 8.292 -0.054 18681 6291 1 9 . 1 1 64 64 MET N N 64 120.864 120.864 117.242 3.622 18681 6292 1 9 . 1 1 64 64 MET HA H 64 4.143 4.143 4.034 0.109 18681 6293 1 9 . 1 1 64 64 MET CA C 64 58.644 58.644 57.816 0.828 18681 6294 1 9 . 1 1 64 64 MET CB C 64 31.625 31.625 31.161 0.464 18681 6295 1 9 . 1 1 64 64 MET H H 64 8.608 8.608 8.274 0.334 18681 6296 1 9 . 1 1 65 65 ASP N N 65 119.121 119.121 119.857 -0.736 18681 6297 1 9 . 1 1 65 65 ASP HA H 65 4.373 4.373 4.385 -0.012 18681 6298 1 9 . 1 1 65 65 ASP CA C 65 57.390 57.390 57.265 0.125 18681 6299 1 9 . 1 1 65 65 ASP CB C 65 39.956 39.956 39.928 0.028 18681 6300 1 9 . 1 1 65 65 ASP H H 65 7.857 7.857 7.843 0.014 18681 6301 1 9 . 1 1 66 66 GLN N N 66 119.748 119.748 119.450 0.298 18681 6302 1 9 . 1 1 66 66 GLN HA H 66 4.084 4.084 4.036 0.048 18681 6303 1 9 . 1 1 66 66 GLN CB C 66 28.222 28.222 28.800 -0.578 18681 6304 1 9 . 1 1 66 66 GLN H H 66 7.703 7.703 7.672 0.031 18681 6305 1 9 . 1 1 67 67 LEU N N 67 120.349 120.349 120.908 -0.559 18681 6306 1 9 . 1 1 67 67 LEU HA H 67 3.890 3.890 3.931 -0.041 18681 6307 1 9 . 1 1 67 67 LEU CA C 67 58.914 58.914 58.095 0.819 18681 6308 1 9 . 1 1 67 67 LEU H H 67 8.356 8.356 7.597 0.759 18681 6309 1 9 . 1 1 68 68 GLU N N 68 118.268 118.268 118.703 -0.435 18681 6310 1 9 . 1 1 68 68 GLU HA H 68 4.018 4.018 4.028 -0.010 18681 6311 1 9 . 1 1 68 68 GLU CA C 68 59.174 59.174 59.146 0.028 18681 6312 1 9 . 1 1 68 68 GLU CB C 68 29.419 29.419 28.435 0.984 18681 6313 1 9 . 1 1 68 68 GLU H H 68 8.547 8.547 8.010 0.537 18681 6314 1 9 . 1 1 69 69 ALA N N 69 122.349 122.349 122.777 -0.428 18681 6315 1 9 . 1 1 69 69 ALA HA H 69 4.126 4.126 4.043 0.083 18681 6316 1 9 . 1 1 69 69 ALA CA C 69 54.937 54.937 54.961 -0.024 18681 6317 1 9 . 1 1 69 69 ALA CB C 69 18.147 18.147 18.142 0.005 18681 6318 1 9 . 1 1 69 69 ALA H H 69 7.853 7.853 7.850 0.003 18681 6319 1 9 . 1 1 70 70 LEU N N 70 120.257 120.257 119.000 1.257 18681 6320 1 9 . 1 1 70 70 LEU HA H 70 4.016 4.016 3.884 0.132 18681 6321 1 9 . 1 1 70 70 LEU CA C 70 57.750 57.750 57.921 -0.171 18681 6322 1 9 . 1 1 70 70 LEU CB C 70 42.623 42.623 41.758 0.866 18681 6323 1 9 . 1 1 70 70 LEU H H 70 8.553 8.553 7.904 0.649 18681 6324 1 9 . 1 1 71 71 LYS HA H 71 3.431 3.431 3.736 -0.305 18681 6325 1 9 . 1 1 71 71 LYS CB C 71 32.132 32.132 32.283 -0.151 18681 6326 1 9 . 1 1 71 71 LYS H H 71 8.636 8.636 7.796 0.840 18681 6327 1 9 . 1 1 72 72 LYS N N 72 117.417 117.417 118.735 -1.318 18681 6328 1 9 . 1 1 72 72 LYS HA H 72 4.007 4.007 3.968 0.039 18681 6329 1 9 . 1 1 72 72 LYS CA C 72 58.936 58.936 58.913 0.023 18681 6330 1 9 . 1 1 72 72 LYS H H 72 7.620 7.620 8.183 -0.563 18681 6331 1 9 . 1 1 73 73 GLN N N 73 119.180 119.180 118.303 0.877 18681 6332 1 9 . 1 1 73 73 GLN HA H 73 4.027 4.027 4.070 -0.043 18681 6333 1 9 . 1 1 73 73 GLN CA C 73 58.084 58.084 58.364 -0.280 18681 6334 1 9 . 1 1 73 73 GLN CB C 73 29.044 29.044 28.785 0.259 18681 6335 1 9 . 1 1 73 73 GLN H H 73 7.798 7.798 7.777 0.021 18681 6336 1 9 . 1 1 74 74 LEU N N 74 118.230 118.230 117.667 0.563 18681 6337 1 9 . 1 1 74 74 LEU HA H 74 4.258 4.258 3.940 0.318 18681 6338 1 9 . 1 1 74 74 LEU CA C 74 55.050 55.050 56.297 -1.247 18681 6339 1 9 . 1 1 74 74 LEU CB C 74 42.380 42.380 42.447 -0.067 18681 6340 1 9 . 1 1 74 74 LEU H H 74 8.050 8.050 7.783 0.267 18681 6341 1 9 . 1 1 75 75 GLY N N 75 106.441 106.441 106.684 -0.243 18681 6342 1 9 . 1 1 75 75 GLY CA C 75 47.098 47.098 45.811 1.287 18681 6343 1 9 . 1 1 75 75 GLY H H 75 7.420 7.420 8.325 -0.905 18681 6344 1 9 . 1 1 76 76 ASP N N 76 121.520 121.520 127.682 -6.162 18681 6345 1 9 . 1 1 76 76 ASP HA H 76 4.533 4.533 4.754 -0.221 18681 6346 1 9 . 1 1 76 76 ASP CA C 76 53.148 53.148 53.752 -0.604 18681 6347 1 9 . 1 1 76 76 ASP CB C 76 39.714 39.714 39.786 -0.072 18681 6348 1 9 . 1 1 76 76 ASP H H 76 8.332 8.332 8.334 -0.002 18681 6349 1 9 . 1 1 77 77 ASN N N 77 121.250 121.250 121.333 -0.083 18681 6350 1 9 . 1 1 77 77 ASN HA H 77 4.489 4.489 4.928 -0.439 18681 6351 1 9 . 1 1 77 77 ASN CA C 77 54.063 54.063 52.340 1.723 18681 6352 1 9 . 1 1 77 77 ASN CB C 77 40.058 40.058 41.931 -1.873 18681 6353 1 9 . 1 1 77 77 ASN H H 77 7.725 7.725 7.881 -0.156 18681 6354 1 9 . 1 1 78 78 GLU N N 78 129.390 129.390 125.747 3.643 18681 6355 1 9 . 1 1 78 78 GLU HA H 78 4.225 4.225 4.067 0.158 18681 6356 1 9 . 1 1 78 78 GLU CA C 78 58.888 58.888 60.006 -1.118 18681 6357 1 9 . 1 1 78 78 GLU CB C 78 29.698 29.698 29.829 -0.132 18681 6358 1 9 . 1 1 78 78 GLU H H 78 9.282 9.282 9.002 0.280 18681 6359 1 9 . 1 1 79 79 ALA N N 79 116.576 116.576 119.525 -2.949 18681 6360 1 9 . 1 1 79 79 ALA HA H 79 4.079 4.079 4.176 -0.097 18681 6361 1 9 . 1 1 79 79 ALA CA C 79 53.222 53.222 54.794 -1.572 18681 6362 1 9 . 1 1 79 79 ALA CB C 79 19.347 19.347 18.428 0.919 18681 6363 1 9 . 1 1 79 79 ALA H H 79 8.285 8.285 8.400 -0.115 18681 6364 1 9 . 1 1 80 80 ILE N N 80 116.410 116.410 116.079 0.331 18681 6365 1 9 . 1 1 80 80 ILE HA H 80 4.043 4.043 3.832 0.211 18681 6366 1 9 . 1 1 80 80 ILE CA C 80 59.695 59.695 62.915 -3.220 18681 6367 1 9 . 1 1 80 80 ILE CB C 80 36.642 36.642 37.663 -1.021 18681 6368 1 9 . 1 1 80 80 ILE H H 80 7.857 7.857 7.195 0.662 18681 6369 1 9 . 1 1 81 81 THR N N 81 110.649 110.649 114.231 -3.582 18681 6370 1 9 . 1 1 81 81 THR HA H 81 4.079 4.079 4.087 -0.008 18681 6371 1 9 . 1 1 81 81 THR CA C 81 63.509 63.509 64.391 -0.882 18681 6372 1 9 . 1 1 81 81 THR CB C 81 68.764 68.764 69.152 -0.388 18681 6373 1 9 . 1 1 81 81 THR H H 81 7.869 7.869 8.102 -0.233 18681 6374 1 9 . 1 1 82 82 GLN N N 82 120.522 120.522 122.775 -2.253 18681 6375 1 9 . 1 1 82 82 GLN HA H 82 4.743 4.743 4.423 0.320 18681 6376 1 9 . 1 1 82 82 GLN CB C 82 29.184 29.184 29.330 -0.146 18681 6377 1 9 . 1 1 82 82 GLN H H 82 8.016 8.016 8.037 -0.021 18681 6378 1 9 . 1 1 83 83 GLU N N 83 126.907 126.907 127.088 -0.181 18681 6379 1 9 . 1 1 83 83 GLU HA H 83 4.011 4.011 4.233 -0.222 18681 6380 1 9 . 1 1 83 83 GLU CA C 83 60.736 60.736 59.231 1.505 18681 6381 1 9 . 1 1 83 83 GLU CB C 83 29.353 29.353 29.351 0.002 18681 6382 1 9 . 1 1 83 83 GLU H H 83 9.146 9.146 9.075 0.071 18681 6383 1 9 . 1 1 84 84 ILE N N 84 115.693 115.693 115.187 0.506 18681 6384 1 9 . 1 1 84 84 ILE HA H 84 3.764 3.764 3.636 0.128 18681 6385 1 9 . 1 1 84 84 ILE CA C 84 63.908 63.908 64.584 -0.676 18681 6386 1 9 . 1 1 84 84 ILE CB C 84 37.762 37.762 36.971 0.791 18681 6387 1 9 . 1 1 84 84 ILE H H 84 8.460 8.460 7.886 0.574 18681 6388 1 9 . 1 1 85 85 VAL N N 85 123.415 123.415 120.648 2.767 18681 6389 1 9 . 1 1 85 85 VAL HA H 85 3.714 3.714 3.694 0.020 18681 6390 1 9 . 1 1 85 85 VAL CA C 85 65.226 65.226 66.301 -1.075 18681 6391 1 9 . 1 1 85 85 VAL CB C 85 31.142 31.142 31.068 0.074 18681 6392 1 9 . 1 1 85 85 VAL H H 85 7.034 7.034 7.705 -0.671 18681 6393 1 9 . 1 1 86 86 GLY N N 86 110.422 110.422 107.068 3.354 18681 6394 1 9 . 1 1 86 86 GLY CA C 86 49.167 49.167 47.215 1.952 18681 6395 1 9 . 1 1 86 86 GLY H H 86 8.139 8.139 7.851 0.288 18681 6396 1 9 . 1 1 87 87 CYS N N 87 121.087 121.087 120.892 0.195 18681 6397 1 9 . 1 1 87 87 CYS HA H 87 2.923 2.923 3.817 -0.894 18681 6398 1 9 . 1 1 87 87 CYS CA C 87 62.064 62.064 63.855 -1.791 18681 6399 1 9 . 1 1 87 87 CYS CB C 87 25.682 25.682 26.922 -1.240 18681 6400 1 9 . 1 1 87 87 CYS H H 87 8.052 8.052 8.253 -0.201 18681 6401 1 9 . 1 1 88 88 ALA N N 88 119.739 119.739 122.640 -2.901 18681 6402 1 9 . 1 1 88 88 ALA HA H 88 4.109 4.109 3.928 0.181 18681 6403 1 9 . 1 1 88 88 ALA CA C 88 54.895 54.895 55.053 -0.159 18681 6404 1 9 . 1 1 88 88 ALA CB C 88 17.680 17.680 17.879 -0.199 18681 6405 1 9 . 1 1 88 88 ALA H H 88 7.230 7.230 7.909 -0.679 18681 6406 1 9 . 1 1 89 89 HIS N N 89 118.056 118.056 119.170 -1.114 18681 6407 1 9 . 1 1 89 89 HIS HA H 89 4.172 4.172 4.245 -0.073 18681 6408 1 9 . 1 1 89 89 HIS CA C 89 59.587 59.587 60.132 -0.545 18681 6409 1 9 . 1 1 89 89 HIS CB C 89 30.446 30.446 30.001 0.445 18681 6410 1 9 . 1 1 89 89 HIS H H 89 8.190 8.190 7.669 0.521 18681 6411 1 9 . 1 1 90 90 LEU N N 90 120.375 120.375 119.348 1.027 18681 6412 1 9 . 1 1 90 90 LEU HA H 90 3.953 3.953 3.926 0.027 18681 6413 1 9 . 1 1 90 90 LEU CA C 90 57.959 57.959 58.156 -0.196 18681 6414 1 9 . 1 1 90 90 LEU CB C 90 41.434 41.434 41.273 0.161 18681 6415 1 9 . 1 1 90 90 LEU H H 90 8.115 8.115 7.931 0.184 18681 6416 1 9 . 1 1 91 91 GLU N N 91 119.711 119.711 119.609 0.102 18681 6417 1 9 . 1 1 91 91 GLU HA H 91 3.801 3.801 3.853 -0.052 18681 6418 1 9 . 1 1 91 91 GLU CA C 91 60.130 60.130 59.599 0.531 18681 6419 1 9 . 1 1 91 91 GLU CB C 91 29.870 29.870 29.402 0.468 18681 6420 1 9 . 1 1 91 91 GLU H H 91 9.186 9.186 8.147 1.039 18681 6421 1 9 . 1 1 92 92 ASN N N 92 116.626 116.626 118.217 -1.591 18681 6422 1 9 . 1 1 92 92 ASN HA H 92 4.411 4.411 4.385 0.026 18681 6423 1 9 . 1 1 92 92 ASN CA C 92 56.280 56.280 56.265 0.015 18681 6424 1 9 . 1 1 92 92 ASN CB C 92 38.464 38.464 38.687 -0.223 18681 6425 1 9 . 1 1 92 92 ASN H H 92 8.392 8.392 8.144 0.248 18681 6426 1 9 . 1 1 93 93 TYR N N 93 121.123 121.123 119.914 1.209 18681 6427 1 9 . 1 1 93 93 TYR HA H 93 4.465 4.465 4.076 0.389 18681 6428 1 9 . 1 1 93 93 TYR CA C 93 59.339 59.339 60.938 -1.599 18681 6429 1 9 . 1 1 93 93 TYR CB C 93 38.593 38.593 37.872 0.721 18681 6430 1 9 . 1 1 93 93 TYR H H 93 7.742 7.742 8.064 -0.322 18681 6431 1 9 . 1 1 94 94 ALA N N 94 120.589 120.589 122.024 -1.435 18681 6432 1 9 . 1 1 94 94 ALA HA H 94 3.742 3.742 3.943 -0.201 18681 6433 1 9 . 1 1 94 94 ALA CA C 94 55.340 55.340 55.316 0.025 18681 6434 1 9 . 1 1 94 94 ALA CB C 94 17.779 17.779 18.311 -0.532 18681 6435 1 9 . 1 1 94 94 ALA H H 94 8.811 8.811 7.899 0.912 18681 6436 1 9 . 1 1 95 95 LEU HA H 95 4.132 4.132 3.820 0.312 18681 6437 1 9 . 1 1 95 95 LEU CB C 95 40.964 40.964 40.696 0.268 18681 6438 1 9 . 1 1 95 95 LEU H H 95 8.345 8.345 7.807 0.538 18681 6439 1 9 . 1 1 96 96 LYS N N 96 119.704 119.704 119.692 0.012 18681 6440 1 9 . 1 1 96 96 LYS HA H 96 3.971 3.971 3.927 0.044 18681 6441 1 9 . 1 1 96 96 LYS CA C 96 59.877 59.877 59.505 0.372 18681 6442 1 9 . 1 1 96 96 LYS CB C 96 32.096 32.096 32.057 0.039 18681 6443 1 9 . 1 1 96 96 LYS H H 96 8.057 8.057 8.038 0.019 18681 6444 1 9 . 1 1 97 97 MET N N 97 119.269 119.269 117.982 1.287 18681 6445 1 9 . 1 1 97 97 MET HA H 97 4.146 4.146 4.163 -0.017 18681 6446 1 9 . 1 1 97 97 MET CA C 97 59.020 59.020 58.919 0.101 18681 6447 1 9 . 1 1 97 97 MET CB C 97 32.949 32.949 32.666 0.283 18681 6448 1 9 . 1 1 97 97 MET H H 97 7.791 7.791 7.836 -0.045 18681 6449 1 9 . 1 1 98 98 PHE N N 98 120.493 120.493 121.703 -1.210 18681 6450 1 9 . 1 1 98 98 PHE HA H 98 3.686 3.686 3.959 -0.273 18681 6451 1 9 . 1 1 98 98 PHE CA C 98 62.257 62.257 62.249 0.008 18681 6452 1 9 . 1 1 98 98 PHE CB C 98 39.929 39.929 38.995 0.934 18681 6453 1 9 . 1 1 98 98 PHE H H 98 8.584 8.584 8.263 0.321 18681 6454 1 9 . 1 1 99 99 LEU N N 99 118.196 118.196 118.942 -0.746 18681 6455 1 9 . 1 1 99 99 LEU HA H 99 3.923 3.923 3.996 -0.073 18681 6456 1 9 . 1 1 99 99 LEU CA C 99 57.670 57.670 58.292 -0.622 18681 6457 1 9 . 1 1 99 99 LEU CB C 99 41.371 41.371 41.715 -0.344 18681 6458 1 9 . 1 1 99 99 LEU H H 99 9.148 9.148 8.695 0.453 18681 6459 1 9 . 1 1 100 100 TYR N N 100 119.695 119.695 120.513 -0.818 18681 6460 1 9 . 1 1 100 100 TYR HA H 100 4.179 4.179 3.907 0.272 18681 6461 1 9 . 1 1 100 100 TYR CA C 100 60.511 60.511 61.629 -1.118 18681 6462 1 9 . 1 1 100 100 TYR CB C 100 37.397 37.397 37.994 -0.597 18681 6463 1 9 . 1 1 100 100 TYR H H 100 7.699 7.699 8.084 -0.385 18681 6464 1 9 . 1 1 101 101 ALA N N 101 123.078 123.078 121.151 1.927 18681 6465 1 9 . 1 1 101 101 ALA HA H 101 2.916 2.916 3.590 -0.674 18681 6466 1 9 . 1 1 101 101 ALA CA C 101 55.042 55.042 54.328 0.714 18681 6467 1 9 . 1 1 101 101 ALA CB C 101 16.049 16.049 17.499 -1.450 18681 6468 1 9 . 1 1 101 101 ALA H H 101 7.385 7.385 8.075 -0.690 18681 6469 1 9 . 1 1 102 102 ASP N N 102 117.073 117.073 119.000 -1.927 18681 6470 1 9 . 1 1 102 102 ASP HA H 102 4.287 4.287 4.306 -0.019 18681 6471 1 9 . 1 1 102 102 ASP CA C 102 57.049 57.049 57.683 -0.634 18681 6472 1 9 . 1 1 102 102 ASP CB C 102 42.898 42.898 40.823 2.075 18681 6473 1 9 . 1 1 102 102 ASP H H 102 8.539 8.539 7.852 0.687 18681 6474 1 9 . 1 1 103 103 ASN N N 103 116.630 116.630 117.683 -1.053 18681 6475 1 9 . 1 1 103 103 ASN HA H 103 4.264 4.264 4.341 -0.077 18681 6476 1 9 . 1 1 103 103 ASN CA C 103 56.386 56.386 56.312 0.074 18681 6477 1 9 . 1 1 103 103 ASN CB C 103 38.332 38.332 38.657 -0.325 18681 6478 1 9 . 1 1 103 103 ASN H H 103 7.970 7.970 8.346 -0.376 18681 6479 1 9 . 1 1 104 104 GLU N N 104 118.811 118.811 120.061 -1.250 18681 6480 1 9 . 1 1 104 104 GLU HA H 104 3.619 3.619 3.839 -0.220 18681 6481 1 9 . 1 1 104 104 GLU CA C 104 58.982 58.982 59.066 -0.085 18681 6482 1 9 . 1 1 104 104 GLU H H 104 7.474 7.474 7.662 -0.188 18681 6483 1 9 . 1 1 105 105 ASP N N 105 120.013 120.013 119.664 0.349 18681 6484 1 9 . 1 1 105 105 ASP HA H 105 3.818 3.818 4.059 -0.241 18681 6485 1 9 . 1 1 105 105 ASP CA C 105 57.508 57.508 56.867 0.640 18681 6486 1 9 . 1 1 105 105 ASP CB C 105 43.738 43.738 40.917 2.821 18681 6487 1 9 . 1 1 105 105 ASP H H 105 8.212 8.212 8.033 0.179 18681 6488 1 9 . 1 1 106 106 ARG N N 106 116.747 116.747 120.365 -3.618 18681 6489 1 9 . 1 1 106 106 ARG HA H 106 3.804 3.804 4.147 -0.343 18681 6490 1 9 . 1 1 106 106 ARG CA C 106 59.150 59.150 58.102 1.048 18681 6491 1 9 . 1 1 106 106 ARG CB C 106 30.083 30.083 30.143 -0.060 18681 6492 1 9 . 1 1 106 106 ARG H H 106 8.532 8.532 7.980 0.552 18681 6493 1 9 . 1 1 107 107 ALA N N 107 119.388 119.388 118.799 0.589 18681 6494 1 9 . 1 1 107 107 ALA HA H 107 4.232 4.232 4.169 0.063 18681 6495 1 9 . 1 1 107 107 ALA CA C 107 51.407 51.407 52.404 -0.997 18681 6496 1 9 . 1 1 107 107 ALA CB C 107 18.572 18.572 18.746 -0.174 18681 6497 1 9 . 1 1 107 107 ALA H H 107 7.302 7.302 7.501 -0.199 18681 6498 1 9 . 1 1 108 108 GLY N N 108 108.840 108.840 106.067 2.773 18681 6499 1 9 . 1 1 108 108 GLY CA C 108 45.735 45.735 44.878 0.857 18681 6500 1 9 . 1 1 108 108 GLY H H 108 7.905 7.905 7.608 0.297 18681 6501 1 9 . 1 1 109 109 ARG N N 109 121.140 121.140 121.290 -0.150 18681 6502 1 9 . 1 1 109 109 ARG HA H 109 4.126 4.126 4.259 -0.133 18681 6503 1 9 . 1 1 109 109 ARG CA C 109 55.361 55.361 55.688 -0.327 18681 6504 1 9 . 1 1 109 109 ARG H H 109 7.642 7.642 7.351 0.291 18681 6505 1 9 . 1 1 110 110 PHE N N 110 119.534 119.534 121.263 -1.729 18681 6506 1 9 . 1 1 110 110 PHE HA H 110 4.950 4.950 4.976 -0.026 18681 6507 1 9 . 1 1 110 110 PHE CA C 110 55.415 55.415 56.863 -1.448 18681 6508 1 9 . 1 1 110 110 PHE H H 110 7.644 7.644 8.251 -0.607 18681 6509 1 9 . 1 1 111 111 HIS N N 111 116.408 116.408 121.242 -4.834 18681 6510 1 9 . 1 1 111 111 HIS HA H 111 4.757 4.757 4.889 -0.132 18681 6511 1 9 . 1 1 111 111 HIS CB C 111 32.022 32.022 32.930 -0.908 18681 6512 1 9 . 1 1 111 111 HIS H H 111 6.789 6.789 8.208 -1.419 18681 6513 1 9 . 1 1 112 112 LYS N N 112 119.836 119.836 119.900 -0.064 18681 6514 1 9 . 1 1 112 112 LYS HA H 112 4.059 4.059 4.261 -0.202 18681 6515 1 9 . 1 1 112 112 LYS H H 112 8.267 8.267 8.811 -0.544 18681 6516 1 9 . 1 1 113 113 ASN N N 113 118.047 118.047 117.568 0.479 18681 6517 1 9 . 1 1 113 113 ASN HA H 113 4.737 4.737 4.510 0.227 18681 6518 1 9 . 1 1 113 113 ASN CB C 113 38.295 38.295 38.316 -0.021 18681 6519 1 9 . 1 1 113 113 ASN H H 113 8.831 8.831 8.719 0.112 18681 6520 1 9 . 1 1 114 114 MET N N 114 119.081 119.081 116.671 2.410 18681 6521 1 9 . 1 1 114 114 MET HA H 114 4.379 4.379 4.233 0.146 18681 6522 1 9 . 1 1 114 114 MET CA C 114 58.194 58.194 58.544 -0.350 18681 6523 1 9 . 1 1 114 114 MET H H 114 8.520 8.520 8.080 0.440 18681 6524 1 9 . 1 1 115 115 ILE N N 115 125.193 125.193 121.372 3.821 18681 6525 1 9 . 1 1 115 115 ILE HA H 115 3.651 3.651 3.892 -0.241 18681 6526 1 9 . 1 1 115 115 ILE CA C 115 66.869 66.869 65.378 1.491 18681 6527 1 9 . 1 1 115 115 ILE CB C 115 39.162 39.162 37.679 1.483 18681 6528 1 9 . 1 1 115 115 ILE H H 115 7.737 7.737 7.828 -0.091 18681 6529 1 9 . 1 1 116 116 LYS N N 116 118.190 118.190 120.006 -1.816 18681 6530 1 9 . 1 1 116 116 LYS HA H 116 4.150 4.150 4.059 0.091 18681 6531 1 9 . 1 1 116 116 LYS CA C 116 59.379 59.379 59.625 -0.246 18681 6532 1 9 . 1 1 116 116 LYS CB C 116 32.097 32.097 31.912 0.185 18681 6533 1 9 . 1 1 116 116 LYS H H 116 8.393 8.393 7.981 0.412 18681 6534 1 9 . 1 1 117 117 SER N N 117 117.471 117.471 116.802 0.669 18681 6535 1 9 . 1 1 117 117 SER HA H 117 4.096 4.096 4.219 -0.123 18681 6536 1 9 . 1 1 117 117 SER CA C 117 63.167 63.167 62.313 0.854 18681 6537 1 9 . 1 1 117 117 SER CB C 117 63.135 63.135 62.818 0.317 18681 6538 1 9 . 1 1 117 117 SER H H 117 8.138 8.138 8.215 -0.077 18681 6539 1 9 . 1 1 118 118 PHE N N 118 121.885 121.885 121.582 0.303 18681 6540 1 9 . 1 1 118 118 PHE HA H 118 4.408 4.408 4.242 0.166 18681 6541 1 9 . 1 1 118 118 PHE CA C 118 61.176 61.176 61.858 -0.682 18681 6542 1 9 . 1 1 118 118 PHE CB C 118 38.889 38.889 38.669 0.220 18681 6543 1 9 . 1 1 118 118 PHE H H 118 8.168 8.168 7.808 0.360 18681 6544 1 9 . 1 1 119 119 TYR N N 119 118.356 118.356 120.719 -2.363 18681 6545 1 9 . 1 1 119 119 TYR HA H 119 3.935 3.935 4.160 -0.225 18681 6546 1 9 . 1 1 119 119 TYR CA C 119 62.261 62.261 61.858 0.403 18681 6547 1 9 . 1 1 119 119 TYR CB C 119 38.498 38.498 38.785 -0.287 18681 6548 1 9 . 1 1 119 119 TYR H H 119 8.693 8.693 8.376 0.317 18681 6549 1 9 . 1 1 120 120 THR N N 120 117.468 117.468 115.827 1.641 18681 6550 1 9 . 1 1 120 120 THR HA H 120 3.705 3.705 3.889 -0.184 18681 6551 1 9 . 1 1 120 120 THR CA C 120 67.393 67.393 66.559 0.834 18681 6552 1 9 . 1 1 120 120 THR CB C 120 68.041 68.041 68.269 -0.228 18681 6553 1 9 . 1 1 120 120 THR H H 120 9.582 9.582 8.698 0.884 18681 6554 1 9 . 1 1 121 121 ALA N N 121 124.210 124.210 125.207 -0.997 18681 6555 1 9 . 1 1 121 121 ALA HA H 121 3.940 3.940 3.908 0.032 18681 6556 1 9 . 1 1 121 121 ALA CA C 121 56.508 56.508 55.349 1.159 18681 6557 1 9 . 1 1 121 121 ALA CB C 121 17.325 17.325 18.210 -0.885 18681 6558 1 9 . 1 1 121 121 ALA H H 121 8.444 8.444 8.167 0.277 18681 6559 1 9 . 1 1 122 122 SER N N 122 111.334 111.334 115.151 -3.817 18681 6560 1 9 . 1 1 122 122 SER HA H 122 4.009 4.009 4.078 -0.069 18681 6561 1 9 . 1 1 122 122 SER CA C 122 62.531 62.531 62.007 0.524 18681 6562 1 9 . 1 1 122 122 SER CB C 122 63.051 63.051 62.925 0.126 18681 6563 1 9 . 1 1 122 122 SER H H 122 7.724 7.724 7.733 -0.009 18681 6564 1 9 . 1 1 123 123 LEU N N 123 122.307 122.307 124.239 -1.932 18681 6565 1 9 . 1 1 123 123 LEU HA H 123 4.092 4.092 4.055 0.037 18681 6566 1 9 . 1 1 123 123 LEU CA C 123 57.100 57.100 57.953 -0.853 18681 6567 1 9 . 1 1 123 123 LEU CB C 123 41.615 41.615 41.909 -0.294 18681 6568 1 9 . 1 1 123 123 LEU H H 123 7.507 7.507 7.490 0.017 18681 6569 1 9 . 1 1 124 124 LEU N N 124 117.851 117.851 120.215 -2.364 18681 6570 1 9 . 1 1 124 124 LEU HA H 124 3.935 3.935 3.984 -0.049 18681 6571 1 9 . 1 1 124 124 LEU CA C 124 56.967 56.967 58.048 -1.081 18681 6572 1 9 . 1 1 124 124 LEU CB C 124 41.832 41.832 40.791 1.041 18681 6573 1 9 . 1 1 124 124 LEU H H 124 8.457 8.457 7.930 0.527 18681 6574 1 9 . 1 1 125 125 ILE N N 125 118.695 118.695 119.581 -0.886 18681 6575 1 9 . 1 1 125 125 ILE HA H 125 3.718 3.718 3.596 0.122 18681 6576 1 9 . 1 1 125 125 ILE CA C 125 65.097 65.097 64.045 1.052 18681 6577 1 9 . 1 1 125 125 ILE CB C 125 36.775 36.775 36.161 0.614 18681 6578 1 9 . 1 1 125 125 ILE H H 125 7.766 7.766 7.664 0.102 18681 6579 1 9 . 1 1 126 126 ASP N N 126 117.428 117.428 120.707 -3.279 18681 6580 1 9 . 1 1 126 126 ASP HA H 126 4.128 4.128 4.258 -0.130 18681 6581 1 9 . 1 1 126 126 ASP CA C 126 57.998 57.998 57.229 0.769 18681 6582 1 9 . 1 1 126 126 ASP CB C 126 39.372 39.372 39.852 -0.480 18681 6583 1 9 . 1 1 126 126 ASP H H 126 7.288 7.288 7.724 -0.436 18681 6584 1 9 . 1 1 127 127 VAL N N 127 120.003 120.003 117.613 2.390 18681 6585 1 9 . 1 1 127 127 VAL HA H 127 2.992 2.992 3.592 -0.600 18681 6586 1 9 . 1 1 127 127 VAL CA C 127 65.615 65.615 65.523 0.092 18681 6587 1 9 . 1 1 127 127 VAL CB C 127 30.498 30.498 31.799 -1.301 18681 6588 1 9 . 1 1 127 127 VAL H H 127 7.366 7.366 7.397 -0.031 18681 6589 1 9 . 1 1 128 128 ILE N N 128 117.743 117.743 116.959 0.784 18681 6590 1 9 . 1 1 128 128 ILE HA H 128 3.956 3.956 4.122 -0.166 18681 6591 1 9 . 1 1 128 128 ILE CA C 128 64.219 64.219 63.588 0.631 18681 6592 1 9 . 1 1 128 128 ILE CB C 128 37.930 37.930 38.347 -0.417 18681 6593 1 9 . 1 1 128 128 ILE H H 128 7.727 7.727 7.212 0.515 18681 6594 1 9 . 1 1 129 129 THR N N 129 114.535 114.535 115.661 -1.126 18681 6595 1 9 . 1 1 129 129 THR HA H 129 4.638 4.638 3.987 0.651 18681 6596 1 9 . 1 1 129 129 THR CA C 129 64.808 64.808 66.295 -1.487 18681 6597 1 9 . 1 1 129 129 THR CB C 129 69.759 69.759 68.383 1.375 18681 6598 1 9 . 1 1 129 129 THR H H 129 7.873 7.873 8.494 -0.621 18681 6599 1 9 . 1 1 130 130 VAL N N 130 118.351 118.351 117.351 1.000 18681 6600 1 9 . 1 1 130 130 VAL HA H 130 4.014 4.014 3.693 0.321 18681 6601 1 9 . 1 1 130 130 VAL CA C 130 64.220 64.220 65.311 -1.091 18681 6602 1 9 . 1 1 130 130 VAL CB C 130 31.307 31.307 31.087 0.220 18681 6603 1 9 . 1 1 130 130 VAL H H 130 8.381 8.381 7.490 0.891 18681 6604 1 9 . 1 1 131 131 PHE N N 131 117.227 117.227 120.528 -3.301 18681 6605 1 9 . 1 1 131 131 PHE HA H 131 4.567 4.567 4.457 0.110 18681 6606 1 9 . 1 1 131 131 PHE CA C 131 57.840 57.840 60.114 -2.275 18681 6607 1 9 . 1 1 131 131 PHE CB C 131 39.029 39.029 39.227 -0.198 18681 6608 1 9 . 1 1 131 131 PHE H H 131 7.638 7.638 8.165 -0.527 18681 6609 1 9 . 1 1 132 132 GLY N N 132 106.811 106.811 105.275 1.536 18681 6610 1 9 . 1 1 132 132 GLY CA C 132 43.921 43.921 44.974 -1.053 18681 6611 1 9 . 1 1 132 132 GLY H H 132 7.433 7.433 7.683 -0.250 18681 6612 1 9 . 1 1 133 133 GLU N N 133 119.340 119.340 121.737 -2.397 18681 6613 1 9 . 1 1 133 133 GLU HA H 133 4.082 4.082 4.526 -0.444 18681 6614 1 9 . 1 1 133 133 GLU CA C 133 56.504 56.504 55.761 0.743 18681 6615 1 9 . 1 1 133 133 GLU CB C 133 30.184 30.184 29.945 0.239 18681 6616 1 9 . 1 1 133 133 GLU H H 133 8.278 8.278 8.466 -0.188 18681 6617 1 9 . 1 1 134 134 LEU N N 134 122.134 122.134 126.863 -4.729 18681 6618 1 9 . 1 1 134 134 LEU HA H 134 4.405 4.405 4.615 -0.210 18681 6619 1 9 . 1 1 134 134 LEU CA C 134 54.169 54.169 54.208 -0.039 18681 6620 1 9 . 1 1 134 134 LEU CB C 134 43.997 43.997 42.990 1.007 18681 6621 1 9 . 1 1 134 134 LEU H H 134 8.410 8.410 8.358 0.052 18681 6622 1 9 . 1 1 135 135 THR N N 135 112.032 112.032 117.851 -5.819 18681 6623 1 9 . 1 1 135 135 THR HA H 135 4.220 4.220 4.491 -0.271 18681 6624 1 9 . 1 1 135 135 THR CA C 135 60.449 60.449 60.637 -0.188 18681 6625 1 9 . 1 1 135 135 THR CB C 135 70.386 70.386 71.609 -1.223 18681 6626 1 9 . 1 1 135 135 THR H H 135 8.192 8.192 8.188 0.004 18681 6627 1 9 . 1 1 136 136 ASP N N 136 121.429 121.429 123.151 -1.722 18681 6628 1 9 . 1 1 136 136 ASP HA H 136 4.191 4.191 4.370 -0.179 18681 6629 1 9 . 1 1 136 136 ASP CA C 136 57.415 57.415 57.306 0.110 18681 6630 1 9 . 1 1 136 136 ASP CB C 136 40.518 40.518 41.071 -0.553 18681 6631 1 9 . 1 1 136 136 ASP H H 136 8.793 8.793 8.801 -0.008 18681 6632 1 9 . 1 1 137 137 GLU N N 137 117.727 117.727 119.080 -1.353 18681 6633 1 9 . 1 1 137 137 GLU HA H 137 3.670 3.670 3.879 -0.209 18681 6634 1 9 . 1 1 137 137 GLU CA C 137 59.503 59.503 60.221 -0.719 18681 6635 1 9 . 1 1 137 137 GLU CB C 137 29.175 29.175 29.584 -0.409 18681 6636 1 9 . 1 1 137 137 GLU H H 137 8.427 8.427 7.813 0.614 18681 6637 1 9 . 1 1 138 138 ASN N N 138 118.528 118.528 116.116 2.412 18681 6638 1 9 . 1 1 138 138 ASN HA H 138 4.488 4.488 4.549 -0.061 18681 6639 1 9 . 1 1 138 138 ASN CA C 138 55.536 55.536 56.135 -0.599 18681 6640 1 9 . 1 1 138 138 ASN CB C 138 37.903 37.903 37.822 0.081 18681 6641 1 9 . 1 1 138 138 ASN H H 138 7.504 7.504 8.297 -0.793 18681 6642 1 9 . 1 1 139 139 VAL N N 139 122.269 122.269 120.856 1.413 18681 6643 1 9 . 1 1 139 139 VAL HA H 139 3.383 3.383 3.698 -0.315 18681 6644 1 9 . 1 1 139 139 VAL CA C 139 67.168 67.168 66.702 0.466 18681 6645 1 9 . 1 1 139 139 VAL CB C 139 31.765 31.765 31.117 0.648 18681 6646 1 9 . 1 1 139 139 VAL H H 139 8.249 8.249 7.939 0.310 18681 6647 1 9 . 1 1 140 140 LYS HA H 140 3.947 3.947 3.970 -0.023 18681 6648 1 9 . 1 1 140 140 LYS CA C 140 59.691 59.691 59.660 0.031 18681 6649 1 9 . 1 1 140 140 LYS CB C 140 32.044 32.044 31.767 0.277 18681 6650 1 9 . 1 1 140 140 LYS H H 140 7.994 7.994 8.317 -0.323 18681 6651 1 9 . 1 1 141 141 HIS N N 141 117.389 117.389 118.396 -1.007 18681 6652 1 9 . 1 1 141 141 HIS HA H 141 4.296 4.296 4.437 -0.141 18681 6653 1 9 . 1 1 141 141 HIS CA C 141 57.657 57.657 59.872 -2.215 18681 6654 1 9 . 1 1 141 141 HIS CB C 141 28.500 28.500 29.869 -1.369 18681 6655 1 9 . 1 1 141 141 HIS H H 141 8.491 8.491 7.816 0.675 18681 6656 1 9 . 1 1 142 142 ARG HA H 142 3.728 3.728 4.072 -0.344 18681 6657 1 9 . 1 1 142 142 ARG CA C 142 61.356 61.356 59.805 1.551 18681 6658 1 9 . 1 1 142 142 ARG H H 142 8.529 8.529 8.041 0.488 18681 6659 1 9 . 1 1 143 143 LYS N N 143 117.710 117.710 118.929 -1.219 18681 6660 1 9 . 1 1 143 143 LYS HA H 143 4.050 4.050 4.078 -0.028 18681 6661 1 9 . 1 1 143 143 LYS CA C 143 59.368 59.368 59.164 0.204 18681 6662 1 9 . 1 1 143 143 LYS CB C 143 32.794 32.794 32.268 0.526 18681 6663 1 9 . 1 1 143 143 LYS H H 143 7.664 7.664 8.195 -0.531 18681 6664 1 9 . 1 1 144 144 TYR HA H 144 4.275 4.275 4.227 0.048 18681 6665 1 9 . 1 1 144 144 TYR CA C 144 62.445 62.445 62.016 0.429 18681 6666 1 9 . 1 1 144 144 TYR CB C 144 39.542 39.542 38.483 1.059 18681 6667 1 9 . 1 1 144 144 TYR H H 144 8.269 8.269 8.710 -0.441 18681 6668 1 9 . 1 1 145 145 ALA N N 145 118.744 118.744 121.744 -3.000 18681 6669 1 9 . 1 1 145 145 ALA HA H 145 3.667 3.667 4.080 -0.413 18681 6670 1 9 . 1 1 145 145 ALA CA C 145 54.777 54.777 55.521 -0.744 18681 6671 1 9 . 1 1 145 145 ALA CB C 145 18.761 18.761 18.467 0.294 18681 6672 1 9 . 1 1 145 145 ALA H H 145 8.825 8.825 9.087 -0.262 18681 6673 1 9 . 1 1 146 146 ARG N N 146 116.092 116.092 118.237 -2.145 18681 6674 1 9 . 1 1 146 146 ARG HA H 146 3.865 3.865 4.063 -0.198 18681 6675 1 9 . 1 1 146 146 ARG CA C 146 59.666 59.666 59.021 0.645 18681 6676 1 9 . 1 1 146 146 ARG CB C 146 30.400 30.400 29.545 0.855 18681 6677 1 9 . 1 1 146 146 ARG H H 146 8.024 8.024 8.054 -0.030 18681 6678 1 9 . 1 1 147 147 TRP N N 147 119.666 119.666 121.051 -1.385 18681 6679 1 9 . 1 1 147 147 TRP HA H 147 4.224 4.224 4.306 -0.082 18681 6680 1 9 . 1 1 147 147 TRP CA C 147 60.996 60.996 59.970 1.026 18681 6681 1 9 . 1 1 147 147 TRP CB C 147 28.593 28.593 29.308 -0.715 18681 6682 1 9 . 1 1 147 147 TRP H H 147 8.014 8.014 8.555 -0.541 18681 6683 1 9 . 1 1 148 148 LYS N N 148 118.775 118.775 118.352 0.423 18681 6684 1 9 . 1 1 148 148 LYS HA H 148 3.212 3.212 3.791 -0.579 18681 6685 1 9 . 1 1 148 148 LYS CA C 148 58.399 58.399 58.218 0.181 18681 6686 1 9 . 1 1 148 148 LYS CB C 148 30.846 30.846 31.516 -0.670 18681 6687 1 9 . 1 1 148 148 LYS H H 148 8.619 8.619 8.342 0.277 18681 6688 1 9 . 1 1 149 149 ALA HA H 149 3.889 3.889 4.047 -0.158 18681 6689 1 9 . 1 1 149 149 ALA CA C 149 55.906 55.906 55.653 0.253 18681 6690 1 9 . 1 1 149 149 ALA CB C 149 18.443 18.443 18.194 0.249 18681 6691 1 9 . 1 1 149 149 ALA H H 149 7.813 7.813 8.266 -0.453 18681 6692 1 9 . 1 1 150 150 THR N N 150 112.174 112.174 116.673 -4.499 18681 6693 1 9 . 1 1 150 150 THR HA H 150 3.721 3.721 4.132 -0.411 18681 6694 1 9 . 1 1 150 150 THR CA C 150 66.282 66.282 66.940 -0.658 18681 6695 1 9 . 1 1 150 150 THR CB C 150 68.853 68.853 68.778 0.075 18681 6696 1 9 . 1 1 150 150 THR H H 150 7.232 7.232 7.751 -0.519 18681 6697 1 9 . 1 1 151 151 TYR N N 151 123.353 123.353 123.902 -0.549 18681 6698 1 9 . 1 1 151 151 TYR HA H 151 4.005 4.005 4.143 -0.138 18681 6699 1 9 . 1 1 151 151 TYR CA C 151 60.334 60.334 62.494 -2.160 18681 6700 1 9 . 1 1 151 151 TYR CB C 151 38.246 38.246 38.227 0.019 18681 6701 1 9 . 1 1 151 151 TYR H H 151 8.513 8.513 8.182 0.331 18681 6702 1 9 . 1 1 152 152 ILE N N 152 119.933 119.933 119.105 0.828 18681 6703 1 9 . 1 1 152 152 ILE HA H 152 2.789 2.789 3.561 -0.772 18681 6704 1 9 . 1 1 152 152 ILE CA C 152 65.885 65.885 66.269 -0.384 18681 6705 1 9 . 1 1 152 152 ILE CB C 152 38.194 38.194 37.844 0.350 18681 6706 1 9 . 1 1 152 152 ILE H H 152 8.860 8.860 8.702 0.158 18681 6707 1 9 . 1 1 153 153 HIS N N 153 117.221 117.221 119.875 -2.654 18681 6708 1 9 . 1 1 153 153 HIS HA H 153 3.957 3.957 4.093 -0.136 18681 6709 1 9 . 1 1 153 153 HIS CA C 153 60.290 60.290 60.613 -0.323 18681 6710 1 9 . 1 1 153 153 HIS CB C 153 30.363 30.363 29.948 0.415 18681 6711 1 9 . 1 1 153 153 HIS H H 153 7.757 7.757 8.384 -0.627 18681 6712 1 9 . 1 1 154 154 ASN N N 154 117.429 117.429 117.865 -0.436 18681 6713 1 9 . 1 1 154 154 ASN HA H 154 4.124 4.124 4.150 -0.026 18681 6714 1 9 . 1 1 154 154 ASN CA C 154 55.977 55.977 56.407 -0.430 18681 6715 1 9 . 1 1 154 154 ASN CB C 154 37.579 37.579 38.449 -0.870 18681 6716 1 9 . 1 1 154 154 ASN H H 154 8.355 8.355 8.620 -0.265 18681 6717 1 9 . 1 1 155 155 CYS N N 155 118.306 118.306 118.857 -0.551 18681 6718 1 9 . 1 1 155 155 CYS HA H 155 3.881 3.881 3.898 -0.017 18681 6719 1 9 . 1 1 155 155 CYS CA C 155 64.039 64.039 64.097 -0.058 18681 6720 1 9 . 1 1 155 155 CYS CB C 155 26.124 26.124 27.699 -1.575 18681 6721 1 9 . 1 1 155 155 CYS H H 155 8.020 8.020 8.187 -0.167 18681 6722 1 9 . 1 1 156 156 LEU N N 156 118.448 118.448 121.497 -3.049 18681 6723 1 9 . 1 1 156 156 LEU HA H 156 3.944 3.944 4.128 -0.184 18681 6724 1 9 . 1 1 156 156 LEU CA C 156 57.844 57.844 57.880 -0.036 18681 6725 1 9 . 1 1 156 156 LEU CB C 156 40.196 40.196 41.881 -1.685 18681 6726 1 9 . 1 1 156 156 LEU H H 156 8.139 8.139 8.707 -0.568 18681 6727 1 9 . 1 1 157 157 LYS N N 157 120.180 120.180 120.334 -0.154 18681 6728 1 9 . 1 1 157 157 LYS HA H 157 3.896 3.896 3.887 0.009 18681 6729 1 9 . 1 1 157 157 LYS CA C 157 58.474 58.474 59.003 -0.529 18681 6730 1 9 . 1 1 157 157 LYS CB C 157 31.852 31.852 31.991 -0.139 18681 6731 1 9 . 1 1 157 157 LYS H H 157 7.912 7.912 8.304 -0.392 18681 6732 1 9 . 1 1 158 158 ASN N N 158 115.220 115.220 115.000 0.220 18681 6733 1 9 . 1 1 158 158 ASN HA H 158 4.730 4.730 4.685 0.045 18681 6734 1 9 . 1 1 158 158 ASN CB C 158 39.411 39.411 38.400 1.011 18681 6735 1 9 . 1 1 158 158 ASN H H 158 7.422 7.422 7.641 -0.219 18681 6736 1 9 . 1 1 159 159 GLY N N 159 108.815 108.815 107.483 1.332 18681 6737 1 9 . 1 1 159 159 GLY CA C 159 46.296 46.296 45.643 0.653 18681 6738 1 9 . 1 1 159 159 GLY H H 159 7.752 7.752 7.917 -0.165 18681 6739 1 9 . 1 1 160 160 GLU N N 160 119.601 119.601 120.109 -0.508 18681 6740 1 9 . 1 1 160 160 GLU HA H 160 4.421 4.421 4.508 -0.087 18681 6741 1 9 . 1 1 160 160 GLU CA C 160 54.102 54.102 54.796 -0.694 18681 6742 1 9 . 1 1 160 160 GLU CB C 160 31.969 31.969 31.776 0.193 18681 6743 1 9 . 1 1 160 160 GLU H H 160 8.174 8.174 8.182 -0.008 18681 6744 1 9 . 1 1 161 161 THR N N 161 120.600 120.600 120.900 -0.300 18681 6745 1 9 . 1 1 161 161 THR HA H 161 4.341 4.341 4.123 0.218 18681 6746 1 9 . 1 1 161 161 THR CB C 161 69.624 69.624 68.597 1.027 18681 6747 1 9 . 1 1 161 161 THR H H 161 8.714 8.714 8.303 0.411 18681 6748 1 9 . 1 1 162 162 PRO HA H 162 4.277 4.277 4.428 -0.151 18681 6749 1 9 . 1 1 162 162 PRO CA C 162 61.790 61.790 62.553 -0.763 18681 6750 1 9 . 1 1 162 162 PRO CB C 162 31.178 31.178 32.540 -1.362 18681 6751 1 10 . 1 1 2 2 ALA N N 2 125.894 125.894 123.641 2.253 18681 6752 1 10 . 1 1 2 2 ALA HA H 2 4.192 4.192 5.311 -1.119 18681 6753 1 10 . 1 1 2 2 ALA CA C 2 52.096 52.096 51.911 0.185 18681 6754 1 10 . 1 1 2 2 ALA CB C 2 19.072 19.072 21.171 -2.099 18681 6755 1 10 . 1 1 2 2 ALA H H 2 8.413 8.413 8.762 -0.349 18681 6756 1 10 . 1 1 3 3 ALA N N 3 123.543 123.543 124.624 -1.081 18681 6757 1 10 . 1 1 3 3 ALA HA H 3 4.226 4.226 4.567 -0.341 18681 6758 1 10 . 1 1 3 3 ALA CA C 3 51.943 51.943 51.946 -0.003 18681 6759 1 10 . 1 1 3 3 ALA CB C 3 18.992 18.992 20.722 -1.730 18681 6760 1 10 . 1 1 3 3 ALA H H 3 8.233 8.233 8.178 0.055 18681 6761 1 10 . 1 1 4 4 LEU N N 4 121.641 121.641 120.861 0.780 18681 6762 1 10 . 1 1 4 4 LEU HA H 4 4.284 4.284 4.580 -0.296 18681 6763 1 10 . 1 1 4 4 LEU CA C 4 53.885 53.885 54.768 -0.883 18681 6764 1 10 . 1 1 4 4 LEU CB C 4 42.307 42.307 42.335 -0.028 18681 6765 1 10 . 1 1 4 4 LEU H H 4 8.114 8.114 8.707 -0.593 18681 6766 1 10 . 1 1 5 5 ALA N N 5 128.329 128.329 124.231 4.098 18681 6767 1 10 . 1 1 5 5 ALA HA H 5 4.453 4.453 4.703 -0.250 18681 6768 1 10 . 1 1 5 5 ALA CA C 5 50.164 50.164 50.023 0.141 18681 6769 1 10 . 1 1 5 5 ALA CB C 5 17.687 17.687 18.395 -0.708 18681 6770 1 10 . 1 1 5 5 ALA H H 5 8.623 8.623 8.118 0.505 18681 6771 1 10 . 1 1 6 6 PRO HA H 6 4.274 4.274 4.371 -0.097 18681 6772 1 10 . 1 1 6 6 PRO CA C 6 62.403 62.403 62.901 -0.498 18681 6773 1 10 . 1 1 6 6 PRO CB C 6 32.105 32.105 32.291 -0.187 18681 6774 1 10 . 1 1 7 7 LEU N N 7 122.228 122.228 121.036 1.192 18681 6775 1 10 . 1 1 7 7 LEU HA H 7 4.324 4.324 4.558 -0.234 18681 6776 1 10 . 1 1 7 7 LEU CA C 7 52.914 52.914 52.338 0.576 18681 6777 1 10 . 1 1 7 7 LEU CB C 7 40.952 40.952 42.792 -1.840 18681 6778 1 10 . 1 1 7 7 LEU H H 7 8.264 8.264 8.044 0.220 18681 6779 1 10 . 1 1 8 8 PRO HA H 8 4.745 4.745 4.555 0.190 18681 6780 1 10 . 1 1 9 9 PRO HA H 9 4.200 4.200 4.296 -0.096 18681 6781 1 10 . 1 1 9 9 PRO CA C 9 62.648 62.648 63.150 -0.502 18681 6782 1 10 . 1 1 9 9 PRO CB C 9 31.646 31.646 32.106 -0.460 18681 6783 1 10 . 1 1 10 10 LEU N N 10 125.824 125.824 125.489 0.335 18681 6784 1 10 . 1 1 10 10 LEU HA H 10 3.742 3.742 4.398 -0.656 18681 6785 1 10 . 1 1 10 10 LEU CA C 10 53.064 53.064 54.295 -1.231 18681 6786 1 10 . 1 1 10 10 LEU CB C 10 42.980 42.980 41.897 1.083 18681 6787 1 10 . 1 1 10 10 LEU H H 10 8.172 8.172 8.297 -0.125 18681 6788 1 10 . 1 1 11 11 PRO HA H 11 4.175 4.175 4.255 -0.080 18681 6789 1 10 . 1 1 11 11 PRO CA C 11 62.124 62.124 62.548 -0.424 18681 6790 1 10 . 1 1 11 11 PRO CB C 11 32.442 32.442 32.084 0.358 18681 6791 1 10 . 1 1 12 12 ALA N N 12 128.292 128.292 125.834 2.458 18681 6792 1 10 . 1 1 12 12 ALA HA H 12 3.920 3.920 4.002 -0.082 18681 6793 1 10 . 1 1 12 12 ALA CA C 12 55.057 55.057 54.408 0.649 18681 6794 1 10 . 1 1 12 12 ALA CB C 12 17.918 17.918 19.066 -1.147 18681 6795 1 10 . 1 1 12 12 ALA H H 12 8.851 8.851 8.253 0.598 18681 6796 1 10 . 1 1 13 13 GLN N N 13 115.075 115.075 116.834 -1.759 18681 6797 1 10 . 1 1 13 13 GLN HA H 13 4.024 4.024 4.081 -0.057 18681 6798 1 10 . 1 1 13 13 GLN CA C 13 58.436 58.436 58.009 0.427 18681 6799 1 10 . 1 1 13 13 GLN CB C 13 28.058 28.058 27.892 0.166 18681 6800 1 10 . 1 1 13 13 GLN H H 13 9.448 9.448 8.504 0.944 18681 6801 1 10 . 1 1 14 14 PHE N N 14 116.832 116.832 119.367 -2.535 18681 6802 1 10 . 1 1 14 14 PHE HA H 14 4.865 4.865 4.600 0.265 18681 6803 1 10 . 1 1 14 14 PHE CA C 14 52.224 52.224 54.871 -2.647 18681 6804 1 10 . 1 1 14 14 PHE CB C 14 36.841 36.841 36.591 0.250 18681 6805 1 10 . 1 1 14 14 PHE H H 14 7.970 7.970 7.969 0.001 18681 6806 1 10 . 1 1 15 15 LYS N N 15 120.886 120.886 121.261 -0.375 18681 6807 1 10 . 1 1 15 15 LYS HA H 15 3.852 3.852 3.968 -0.116 18681 6808 1 10 . 1 1 15 15 LYS CA C 15 60.248 60.248 59.845 0.403 18681 6809 1 10 . 1 1 15 15 LYS CB C 15 32.137 32.137 31.690 0.447 18681 6810 1 10 . 1 1 15 15 LYS H H 15 7.358 7.358 7.610 -0.252 18681 6811 1 10 . 1 1 16 16 SER N N 16 111.755 111.755 116.100 -4.345 18681 6812 1 10 . 1 1 16 16 SER HA H 16 4.321 4.321 4.249 0.072 18681 6813 1 10 . 1 1 16 16 SER CA C 16 61.099 61.099 61.716 -0.617 18681 6814 1 10 . 1 1 16 16 SER CB C 16 62.700 62.700 63.534 -0.834 18681 6815 1 10 . 1 1 16 16 SER H H 16 8.733 8.733 7.937 0.796 18681 6816 1 10 . 1 1 17 17 ILE N N 17 113.676 113.676 116.762 -3.086 18681 6817 1 10 . 1 1 17 17 ILE HA H 17 6.002 6.002 4.975 1.027 18681 6818 1 10 . 1 1 17 17 ILE CA C 17 60.675 60.675 60.062 0.613 18681 6819 1 10 . 1 1 17 17 ILE CB C 17 37.907 37.907 36.699 1.208 18681 6820 1 10 . 1 1 17 17 ILE H H 17 7.692 7.692 7.548 0.144 18681 6821 1 10 . 1 1 18 18 GLN N N 18 122.213 122.213 122.765 -0.552 18681 6822 1 10 . 1 1 18 18 GLN HA H 18 3.875 3.875 3.875 -0.000 18681 6823 1 10 . 1 1 18 18 GLN CA C 18 59.886 59.886 59.913 -0.028 18681 6824 1 10 . 1 1 18 18 GLN CB C 18 29.027 29.027 28.544 0.483 18681 6825 1 10 . 1 1 18 18 GLN H H 18 7.810 7.810 7.755 0.055 18681 6826 1 10 . 1 1 19 19 HIS N N 19 118.333 118.333 115.960 2.373 18681 6827 1 10 . 1 1 19 19 HIS HA H 19 4.547 4.547 4.435 0.112 18681 6828 1 10 . 1 1 19 19 HIS CA C 19 58.358 58.358 58.808 -0.450 18681 6829 1 10 . 1 1 19 19 HIS CB C 19 30.164 30.164 29.241 0.923 18681 6830 1 10 . 1 1 19 19 HIS H H 19 9.436 9.436 8.397 1.039 18681 6831 1 10 . 1 1 20 20 HIS N N 20 124.401 124.401 119.663 4.738 18681 6832 1 10 . 1 1 20 20 HIS HA H 20 3.958 3.958 4.328 -0.370 18681 6833 1 10 . 1 1 20 20 HIS CA C 20 62.329 62.329 60.629 1.700 18681 6834 1 10 . 1 1 20 20 HIS CB C 20 30.170 30.170 30.078 0.091 18681 6835 1 10 . 1 1 20 20 HIS H H 20 8.456 8.456 8.117 0.339 18681 6836 1 10 . 1 1 21 21 LEU N N 21 118.826 118.826 117.415 1.411 18681 6837 1 10 . 1 1 21 21 LEU HA H 21 4.096 4.096 4.203 -0.107 18681 6838 1 10 . 1 1 21 21 LEU CA C 21 57.730 57.730 58.819 -1.089 18681 6839 1 10 . 1 1 21 21 LEU CB C 21 41.415 41.415 41.130 0.285 18681 6840 1 10 . 1 1 21 21 LEU H H 21 8.028 8.028 8.180 -0.152 18681 6841 1 10 . 1 1 22 22 ARG N N 22 121.674 121.674 119.921 1.753 18681 6842 1 10 . 1 1 22 22 ARG HA H 22 4.227 4.227 4.041 0.186 18681 6843 1 10 . 1 1 22 22 ARG CA C 22 59.535 59.535 59.896 -0.361 18681 6844 1 10 . 1 1 22 22 ARG CB C 22 29.809 29.809 30.064 -0.255 18681 6845 1 10 . 1 1 22 22 ARG H H 22 8.103 8.103 7.958 0.145 18681 6846 1 10 . 1 1 23 23 THR N N 23 116.419 116.419 116.088 0.331 18681 6847 1 10 . 1 1 23 23 THR HA H 23 4.113 4.113 4.200 -0.087 18681 6848 1 10 . 1 1 23 23 THR CA C 23 67.072 67.072 66.558 0.514 18681 6849 1 10 . 1 1 23 23 THR CB C 23 68.245 68.245 68.379 -0.134 18681 6850 1 10 . 1 1 23 23 THR H H 23 8.208 8.208 8.271 -0.063 18681 6851 1 10 . 1 1 24 24 ALA N N 24 125.741 125.741 124.729 1.012 18681 6852 1 10 . 1 1 24 24 ALA HA H 24 3.928 3.928 4.236 -0.308 18681 6853 1 10 . 1 1 24 24 ALA CA C 24 56.675 56.675 55.025 1.650 18681 6854 1 10 . 1 1 24 24 ALA CB C 24 19.011 19.011 18.275 0.736 18681 6855 1 10 . 1 1 24 24 ALA H H 24 8.149 8.149 7.837 0.312 18681 6856 1 10 . 1 1 25 25 GLN N N 25 115.916 115.916 117.950 -2.034 18681 6857 1 10 . 1 1 25 25 GLN HA H 25 4.375 4.375 3.990 0.385 18681 6858 1 10 . 1 1 25 25 GLN CA C 25 58.060 58.060 59.077 -1.017 18681 6859 1 10 . 1 1 25 25 GLN CB C 25 28.423 28.423 28.641 -0.218 18681 6860 1 10 . 1 1 25 25 GLN H H 25 7.785 7.785 8.153 -0.368 18681 6861 1 10 . 1 1 26 26 GLU N N 26 117.821 117.821 118.159 -0.338 18681 6862 1 10 . 1 1 26 26 GLU HA H 26 4.089 4.089 4.019 0.070 18681 6863 1 10 . 1 1 26 26 GLU CA C 26 58.165 58.165 58.851 -0.686 18681 6864 1 10 . 1 1 26 26 GLU CB C 26 29.323 29.323 29.212 0.111 18681 6865 1 10 . 1 1 26 26 GLU H H 26 8.457 8.457 7.870 0.587 18681 6866 1 10 . 1 1 27 27 HIS N N 27 115.762 115.762 119.797 -4.035 18681 6867 1 10 . 1 1 27 27 HIS HA H 27 4.380 4.380 4.355 0.025 18681 6868 1 10 . 1 1 27 27 HIS CA C 27 59.076 59.076 59.261 -0.186 18681 6869 1 10 . 1 1 27 27 HIS CB C 27 29.049 29.049 29.867 -0.818 18681 6870 1 10 . 1 1 27 27 HIS H H 27 7.962 7.962 8.103 -0.141 18681 6871 1 10 . 1 1 28 28 ASP N N 28 123.640 123.640 119.042 4.598 18681 6872 1 10 . 1 1 28 28 ASP HA H 28 4.332 4.332 4.408 -0.076 18681 6873 1 10 . 1 1 28 28 ASP CA C 28 58.935 58.935 56.675 2.260 18681 6874 1 10 . 1 1 28 28 ASP CB C 28 40.355 40.355 40.985 -0.630 18681 6875 1 10 . 1 1 28 28 ASP H H 28 7.593 7.593 8.243 -0.650 18681 6876 1 10 . 1 1 29 29 LYS N N 29 113.398 113.398 117.208 -3.810 18681 6877 1 10 . 1 1 29 29 LYS HA H 29 4.395 4.395 4.171 0.224 18681 6878 1 10 . 1 1 29 29 LYS CA C 29 56.654 56.654 58.122 -1.468 18681 6879 1 10 . 1 1 29 29 LYS CB C 29 32.708 32.708 32.864 -0.156 18681 6880 1 10 . 1 1 29 29 LYS H H 29 8.013 8.013 7.616 0.397 18681 6881 1 10 . 1 1 30 30 ARG N N 30 117.542 117.542 117.411 0.131 18681 6882 1 10 . 1 1 30 30 ARG HA H 30 4.244 4.244 4.192 0.052 18681 6883 1 10 . 1 1 30 30 ARG CA C 30 57.994 57.994 58.266 -0.272 18681 6884 1 10 . 1 1 30 30 ARG CB C 30 32.658 32.658 31.442 1.216 18681 6885 1 10 . 1 1 30 30 ARG H H 30 7.873 7.873 7.643 0.230 18681 6886 1 10 . 1 1 31 31 ASP N N 31 112.265 112.265 116.352 -4.087 18681 6887 1 10 . 1 1 31 31 ASP HA H 31 4.866 4.866 5.007 -0.141 18681 6888 1 10 . 1 1 31 31 ASP CA C 31 52.200 52.200 51.939 0.261 18681 6889 1 10 . 1 1 31 31 ASP CB C 31 40.932 40.932 43.551 -2.619 18681 6890 1 10 . 1 1 31 31 ASP H H 31 8.808 8.808 8.376 0.432 18681 6891 1 10 . 1 1 32 32 PRO HA H 32 4.411 4.411 4.619 -0.208 18681 6892 1 10 . 1 1 32 32 PRO CA C 32 63.963 63.963 64.709 -0.746 18681 6893 1 10 . 1 1 32 32 PRO CB C 32 32.908 32.908 33.010 -0.102 18681 6894 1 10 . 1 1 33 33 VAL N N 33 117.414 117.414 119.789 -2.375 18681 6895 1 10 . 1 1 33 33 VAL HA H 33 3.480 3.480 3.676 -0.196 18681 6896 1 10 . 1 1 33 33 VAL CA C 33 66.518 66.518 66.495 0.023 18681 6897 1 10 . 1 1 33 33 VAL CB C 33 31.120 31.120 30.871 0.249 18681 6898 1 10 . 1 1 33 33 VAL H H 33 7.656 7.656 7.956 -0.300 18681 6899 1 10 . 1 1 34 34 VAL N N 34 120.456 120.456 120.039 0.417 18681 6900 1 10 . 1 1 34 34 VAL HA H 34 3.561 3.561 3.648 -0.087 18681 6901 1 10 . 1 1 34 34 VAL CA C 34 66.828 66.828 66.680 0.148 18681 6902 1 10 . 1 1 34 34 VAL CB C 34 32.442 32.442 30.622 1.820 18681 6903 1 10 . 1 1 34 34 VAL H H 34 7.234 7.234 9.172 -1.938 18681 6904 1 10 . 1 1 35 35 ALA N N 35 121.869 121.869 122.958 -1.089 18681 6905 1 10 . 1 1 35 35 ALA HA H 35 3.909 3.909 4.007 -0.098 18681 6906 1 10 . 1 1 35 35 ALA CA C 35 56.024 56.024 55.373 0.651 18681 6907 1 10 . 1 1 35 35 ALA CB C 35 19.264 19.264 18.331 0.933 18681 6908 1 10 . 1 1 35 35 ALA H H 35 8.096 8.096 7.613 0.483 18681 6909 1 10 . 1 1 36 36 TYR N N 36 117.995 117.995 120.625 -2.630 18681 6910 1 10 . 1 1 36 36 TYR HA H 36 3.826 3.826 3.942 -0.116 18681 6911 1 10 . 1 1 36 36 TYR CA C 36 62.044 62.044 62.720 -0.676 18681 6912 1 10 . 1 1 36 36 TYR CB C 36 38.136 38.136 38.353 -0.217 18681 6913 1 10 . 1 1 36 36 TYR H H 36 8.271 8.271 8.059 0.212 18681 6914 1 10 . 1 1 37 37 TYR N N 37 116.773 116.773 117.270 -0.497 18681 6915 1 10 . 1 1 37 37 TYR HA H 37 4.046 4.046 4.089 -0.043 18681 6916 1 10 . 1 1 37 37 TYR CA C 37 63.831 63.831 62.414 1.417 18681 6917 1 10 . 1 1 37 37 TYR CB C 37 37.749 37.749 38.286 -0.537 18681 6918 1 10 . 1 1 37 37 TYR H H 37 8.213 8.213 7.963 0.250 18681 6919 1 10 . 1 1 38 38 CYS N N 38 116.194 116.194 119.040 -2.846 18681 6920 1 10 . 1 1 38 38 CYS HA H 38 4.370 4.370 3.986 0.384 18681 6921 1 10 . 1 1 38 38 CYS CA C 38 64.389 64.389 63.831 0.558 18681 6922 1 10 . 1 1 38 38 CYS CB C 38 27.945 27.945 27.720 0.225 18681 6923 1 10 . 1 1 38 38 CYS H H 38 8.695 8.695 8.863 -0.168 18681 6924 1 10 . 1 1 39 39 ARG N N 39 117.023 117.023 120.557 -3.534 18681 6925 1 10 . 1 1 39 39 ARG HA H 39 3.804 3.804 4.027 -0.223 18681 6926 1 10 . 1 1 39 39 ARG CA C 39 60.198 60.198 59.624 0.574 18681 6927 1 10 . 1 1 39 39 ARG H H 39 7.005 7.005 8.479 -1.474 18681 6928 1 10 . 1 1 40 40 LEU N N 40 123.317 123.317 120.619 2.698 18681 6929 1 10 . 1 1 40 40 LEU HA H 40 3.813 3.813 3.851 -0.038 18681 6930 1 10 . 1 1 40 40 LEU CA C 40 58.181 58.181 57.666 0.515 18681 6931 1 10 . 1 1 40 40 LEU CB C 40 42.085 42.085 41.221 0.863 18681 6932 1 10 . 1 1 40 40 LEU H H 40 8.326 8.326 7.701 0.625 18681 6933 1 10 . 1 1 41 41 TYR N N 41 118.320 118.320 120.056 -1.736 18681 6934 1 10 . 1 1 41 41 TYR HA H 41 3.732 3.732 3.941 -0.209 18681 6935 1 10 . 1 1 41 41 TYR CA C 41 61.418 61.418 61.863 -0.445 18681 6936 1 10 . 1 1 41 41 TYR CB C 41 38.953 38.953 38.166 0.786 18681 6937 1 10 . 1 1 41 41 TYR H H 41 8.533 8.533 7.926 0.607 18681 6938 1 10 . 1 1 42 42 ALA N N 42 123.644 123.644 121.464 2.180 18681 6939 1 10 . 1 1 42 42 ALA HA H 42 3.482 3.482 3.834 -0.352 18681 6940 1 10 . 1 1 42 42 ALA CA C 42 55.157 55.157 54.958 0.199 18681 6941 1 10 . 1 1 42 42 ALA CB C 42 18.413 18.413 18.432 -0.019 18681 6942 1 10 . 1 1 42 42 ALA H H 42 7.962 7.962 7.912 0.050 18681 6943 1 10 . 1 1 43 43 MET N N 43 117.932 117.932 118.873 -0.941 18681 6944 1 10 . 1 1 43 43 MET HA H 43 3.696 3.696 3.875 -0.179 18681 6945 1 10 . 1 1 43 43 MET CA C 43 58.675 58.675 60.060 -1.385 18681 6946 1 10 . 1 1 43 43 MET H H 43 8.433 8.433 8.371 0.062 18681 6947 1 10 . 1 1 44 44 GLN N N 44 116.738 116.738 117.788 -1.050 18681 6948 1 10 . 1 1 44 44 GLN HA H 44 3.773 3.773 3.854 -0.081 18681 6949 1 10 . 1 1 44 44 GLN CA C 44 58.924 58.924 58.832 0.092 18681 6950 1 10 . 1 1 44 44 GLN CB C 44 27.921 27.921 27.996 -0.075 18681 6951 1 10 . 1 1 44 44 GLN H H 44 8.307 8.307 8.179 0.128 18681 6952 1 10 . 1 1 45 45 THR N N 45 116.249 116.249 116.903 -0.654 18681 6953 1 10 . 1 1 45 45 THR HA H 45 3.479 3.479 3.694 -0.215 18681 6954 1 10 . 1 1 45 45 THR CA C 45 66.529 66.529 66.733 -0.203 18681 6955 1 10 . 1 1 45 45 THR CB C 45 67.635 67.635 67.956 -0.321 18681 6956 1 10 . 1 1 45 45 THR H H 45 7.954 7.954 8.046 -0.092 18681 6957 1 10 . 1 1 46 46 GLY N N 46 110.016 110.016 108.709 1.307 18681 6958 1 10 . 1 1 46 46 GLY CA C 46 46.653 46.653 46.293 0.360 18681 6959 1 10 . 1 1 46 46 GLY H H 46 8.429 8.429 8.079 0.350 18681 6960 1 10 . 1 1 47 47 MET N N 47 118.040 118.040 121.494 -3.454 18681 6961 1 10 . 1 1 47 47 MET HA H 47 3.876 3.876 4.013 -0.137 18681 6962 1 10 . 1 1 47 47 MET CA C 47 58.136 58.136 58.180 -0.044 18681 6963 1 10 . 1 1 47 47 MET CB C 47 32.445 32.445 32.722 -0.277 18681 6964 1 10 . 1 1 47 47 MET H H 47 8.160 8.160 8.053 0.107 18681 6965 1 10 . 1 1 48 48 LYS N N 48 116.712 116.712 119.339 -2.627 18681 6966 1 10 . 1 1 48 48 LYS HA H 48 4.012 4.012 3.965 0.047 18681 6967 1 10 . 1 1 48 48 LYS CA C 48 57.945 57.945 58.705 -0.760 18681 6968 1 10 . 1 1 48 48 LYS CB C 48 32.533 32.533 32.278 0.255 18681 6969 1 10 . 1 1 48 48 LYS H H 48 6.958 6.958 7.600 -0.642 18681 6970 1 10 . 1 1 49 49 ILE N N 49 120.903 120.903 118.521 2.382 18681 6971 1 10 . 1 1 49 49 ILE HA H 49 3.718 3.718 3.751 -0.033 18681 6972 1 10 . 1 1 49 49 ILE CA C 49 64.863 64.863 63.872 0.991 18681 6973 1 10 . 1 1 49 49 ILE CB C 49 39.087 39.087 37.160 1.927 18681 6974 1 10 . 1 1 49 49 ILE H H 49 7.609 7.609 7.469 0.140 18681 6975 1 10 . 1 1 50 50 ASP N N 50 115.959 115.959 118.767 -2.808 18681 6976 1 10 . 1 1 50 50 ASP HA H 50 4.488 4.488 4.832 -0.344 18681 6977 1 10 . 1 1 50 50 ASP CA C 50 55.393 55.393 53.937 1.456 18681 6978 1 10 . 1 1 50 50 ASP CB C 50 40.952 40.952 42.358 -1.406 18681 6979 1 10 . 1 1 50 50 ASP H H 50 8.214 8.214 8.450 -0.236 18681 6980 1 10 . 1 1 51 51 SER N N 51 115.917 115.917 112.680 3.237 18681 6981 1 10 . 1 1 51 51 SER HA H 51 4.566 4.566 4.596 -0.030 18681 6982 1 10 . 1 1 51 51 SER CA C 51 56.544 56.544 58.278 -1.734 18681 6983 1 10 . 1 1 51 51 SER CB C 51 64.126 64.126 65.310 -1.184 18681 6984 1 10 . 1 1 51 51 SER H H 51 8.438 8.438 8.039 0.399 18681 6985 1 10 . 1 1 52 52 LYS N N 52 122.213 122.213 120.622 1.591 18681 6986 1 10 . 1 1 52 52 LYS HA H 52 4.438 4.438 4.634 -0.196 18681 6987 1 10 . 1 1 52 52 LYS CB C 52 35.344 35.344 33.327 2.017 18681 6988 1 10 . 1 1 52 52 LYS H H 52 8.937 8.937 8.150 0.787 18681 6989 1 10 . 1 1 53 53 THR N N 53 122.291 122.291 117.187 5.104 18681 6990 1 10 . 1 1 53 53 THR HA H 53 4.273 4.273 4.821 -0.548 18681 6991 1 10 . 1 1 53 53 THR CA C 53 61.837 61.837 57.813 4.024 18681 6992 1 10 . 1 1 53 53 THR CB C 53 68.067 68.067 70.824 -2.757 18681 6993 1 10 . 1 1 53 53 THR H H 53 9.437 9.437 8.028 1.409 18681 6994 1 10 . 1 1 54 54 PRO HA H 54 4.050 4.050 4.082 -0.032 18681 6995 1 10 . 1 1 54 54 PRO CA C 54 66.870 66.870 65.556 1.314 18681 6996 1 10 . 1 1 54 54 PRO CB C 54 31.670 31.670 31.655 0.015 18681 6997 1 10 . 1 1 55 55 GLU N N 55 116.532 116.532 117.594 -1.062 18681 6998 1 10 . 1 1 55 55 GLU HA H 55 4.024 4.024 4.253 -0.229 18681 6999 1 10 . 1 1 55 55 GLU CA C 55 59.870 59.870 58.806 1.064 18681 7000 1 10 . 1 1 55 55 GLU CB C 55 28.759 28.759 29.561 -0.802 18681 7001 1 10 . 1 1 55 55 GLU H H 55 9.352 9.352 7.658 1.694 18681 7002 1 10 . 1 1 56 56 CYS N N 56 119.066 119.066 119.708 -0.642 18681 7003 1 10 . 1 1 56 56 CYS HA H 56 3.759 3.759 4.084 -0.325 18681 7004 1 10 . 1 1 56 56 CYS CA C 56 63.167 63.167 61.350 1.817 18681 7005 1 10 . 1 1 56 56 CYS CB C 56 26.891 26.891 27.439 -0.548 18681 7006 1 10 . 1 1 56 56 CYS H H 56 7.126 7.126 8.247 -1.121 18681 7007 1 10 . 1 1 57 57 ARG N N 57 119.779 119.779 121.009 -1.230 18681 7008 1 10 . 1 1 57 57 ARG HA H 57 3.876 3.876 3.838 0.038 18681 7009 1 10 . 1 1 57 57 ARG CA C 57 60.025 60.025 60.498 -0.473 18681 7010 1 10 . 1 1 57 57 ARG H H 57 8.252 8.252 9.019 -0.767 18681 7011 1 10 . 1 1 58 58 LYS N N 58 119.155 119.155 117.967 1.188 18681 7012 1 10 . 1 1 58 58 LYS HA H 58 4.056 4.056 4.036 0.020 18681 7013 1 10 . 1 1 58 58 LYS CA C 58 59.205 59.205 59.227 -0.022 18681 7014 1 10 . 1 1 58 58 LYS CB C 58 32.127 32.127 32.152 -0.025 18681 7015 1 10 . 1 1 58 58 LYS H H 58 8.394 8.394 7.616 0.778 18681 7016 1 10 . 1 1 59 59 PHE N N 59 119.989 119.989 121.351 -1.362 18681 7017 1 10 . 1 1 59 59 PHE HA H 59 3.748 3.748 4.187 -0.439 18681 7018 1 10 . 1 1 59 59 PHE CA C 59 63.103 63.103 61.741 1.362 18681 7019 1 10 . 1 1 59 59 PHE CB C 59 39.644 39.644 39.291 0.353 18681 7020 1 10 . 1 1 59 59 PHE H H 59 7.720 7.720 7.529 0.191 18681 7021 1 10 . 1 1 60 60 LEU N N 60 117.203 117.203 119.384 -2.181 18681 7022 1 10 . 1 1 60 60 LEU HA H 60 3.991 3.991 4.024 -0.033 18681 7023 1 10 . 1 1 60 60 LEU CA C 60 57.969 57.969 58.016 -0.047 18681 7024 1 10 . 1 1 60 60 LEU CB C 60 41.187 41.187 41.929 -0.742 18681 7025 1 10 . 1 1 60 60 LEU H H 60 8.685 8.685 9.066 -0.381 18681 7026 1 10 . 1 1 61 61 SER N N 61 114.724 114.724 115.172 -0.448 18681 7027 1 10 . 1 1 61 61 SER HA H 61 4.188 4.188 4.079 0.109 18681 7028 1 10 . 1 1 61 61 SER CA C 61 61.650 61.650 62.174 -0.524 18681 7029 1 10 . 1 1 61 61 SER CB C 61 62.589 62.589 63.054 -0.465 18681 7030 1 10 . 1 1 61 61 SER H H 61 8.107 8.107 8.606 -0.499 18681 7031 1 10 . 1 1 62 62 LYS N N 62 120.164 120.164 122.156 -1.992 18681 7032 1 10 . 1 1 62 62 LYS HA H 62 4.147 4.147 4.070 0.077 18681 7033 1 10 . 1 1 62 62 LYS CA C 62 57.139 57.139 58.353 -1.214 18681 7034 1 10 . 1 1 62 62 LYS CB C 62 30.881 30.881 31.987 -1.106 18681 7035 1 10 . 1 1 62 62 LYS H H 62 7.541 7.541 8.168 -0.627 18681 7036 1 10 . 1 1 63 63 LEU N N 63 123.446 123.446 121.050 2.396 18681 7037 1 10 . 1 1 63 63 LEU HA H 63 3.926 3.926 3.917 0.009 18681 7038 1 10 . 1 1 63 63 LEU CA C 63 57.709 57.709 57.954 -0.245 18681 7039 1 10 . 1 1 63 63 LEU CB C 63 41.222 41.222 41.633 -0.411 18681 7040 1 10 . 1 1 63 63 LEU H H 63 8.238 8.238 8.049 0.189 18681 7041 1 10 . 1 1 64 64 MET N N 64 120.864 120.864 118.511 2.353 18681 7042 1 10 . 1 1 64 64 MET HA H 64 4.143 4.143 4.030 0.113 18681 7043 1 10 . 1 1 64 64 MET CA C 64 58.644 58.644 58.006 0.638 18681 7044 1 10 . 1 1 64 64 MET CB C 64 31.625 31.625 31.584 0.041 18681 7045 1 10 . 1 1 64 64 MET H H 64 8.608 8.608 8.342 0.266 18681 7046 1 10 . 1 1 65 65 ASP N N 65 119.121 119.121 119.671 -0.550 18681 7047 1 10 . 1 1 65 65 ASP HA H 65 4.373 4.373 4.354 0.019 18681 7048 1 10 . 1 1 65 65 ASP CA C 65 57.390 57.390 57.356 0.034 18681 7049 1 10 . 1 1 65 65 ASP CB C 65 39.956 39.956 40.175 -0.219 18681 7050 1 10 . 1 1 65 65 ASP H H 65 7.857 7.857 7.889 -0.032 18681 7051 1 10 . 1 1 66 66 GLN N N 66 119.748 119.748 119.552 0.196 18681 7052 1 10 . 1 1 66 66 GLN HA H 66 4.084 4.084 3.987 0.097 18681 7053 1 10 . 1 1 66 66 GLN CB C 66 28.222 28.222 28.773 -0.551 18681 7054 1 10 . 1 1 66 66 GLN H H 66 7.703 7.703 7.622 0.081 18681 7055 1 10 . 1 1 67 67 LEU N N 67 120.349 120.349 120.533 -0.184 18681 7056 1 10 . 1 1 67 67 LEU HA H 67 3.890 3.890 3.930 -0.040 18681 7057 1 10 . 1 1 67 67 LEU CA C 67 58.914 58.914 58.083 0.831 18681 7058 1 10 . 1 1 67 67 LEU H H 67 8.356 8.356 7.718 0.638 18681 7059 1 10 . 1 1 68 68 GLU N N 68 118.268 118.268 119.505 -1.237 18681 7060 1 10 . 1 1 68 68 GLU HA H 68 4.018 4.018 3.981 0.037 18681 7061 1 10 . 1 1 68 68 GLU CA C 68 59.174 59.174 58.962 0.211 18681 7062 1 10 . 1 1 68 68 GLU CB C 68 29.419 29.419 29.025 0.394 18681 7063 1 10 . 1 1 68 68 GLU H H 68 8.547 8.547 7.845 0.702 18681 7064 1 10 . 1 1 69 69 ALA N N 69 122.349 122.349 122.487 -0.138 18681 7065 1 10 . 1 1 69 69 ALA HA H 69 4.126 4.126 4.060 0.066 18681 7066 1 10 . 1 1 69 69 ALA CA C 69 54.937 54.937 55.193 -0.256 18681 7067 1 10 . 1 1 69 69 ALA CB C 69 18.147 18.147 18.116 0.031 18681 7068 1 10 . 1 1 69 69 ALA H H 69 7.853 7.853 8.019 -0.166 18681 7069 1 10 . 1 1 70 70 LEU N N 70 120.257 120.257 118.972 1.285 18681 7070 1 10 . 1 1 70 70 LEU HA H 70 4.016 4.016 3.870 0.146 18681 7071 1 10 . 1 1 70 70 LEU CA C 70 57.750 57.750 57.903 -0.153 18681 7072 1 10 . 1 1 70 70 LEU CB C 70 42.623 42.623 41.676 0.947 18681 7073 1 10 . 1 1 70 70 LEU H H 70 8.553 8.553 7.831 0.722 18681 7074 1 10 . 1 1 71 71 LYS HA H 71 3.431 3.431 3.658 -0.227 18681 7075 1 10 . 1 1 71 71 LYS CB C 71 32.132 32.132 32.363 -0.231 18681 7076 1 10 . 1 1 71 71 LYS H H 71 8.636 8.636 7.993 0.643 18681 7077 1 10 . 1 1 72 72 LYS N N 72 117.417 117.417 119.190 -1.773 18681 7078 1 10 . 1 1 72 72 LYS HA H 72 4.007 4.007 3.994 0.013 18681 7079 1 10 . 1 1 72 72 LYS CA C 72 58.936 58.936 58.528 0.408 18681 7080 1 10 . 1 1 72 72 LYS H H 72 7.620 7.620 8.052 -0.432 18681 7081 1 10 . 1 1 73 73 GLN N N 73 119.180 119.180 118.523 0.657 18681 7082 1 10 . 1 1 73 73 GLN HA H 73 4.027 4.027 4.005 0.022 18681 7083 1 10 . 1 1 73 73 GLN CA C 73 58.084 58.084 58.393 -0.309 18681 7084 1 10 . 1 1 73 73 GLN CB C 73 29.044 29.044 28.672 0.372 18681 7085 1 10 . 1 1 73 73 GLN H H 73 7.798 7.798 7.923 -0.125 18681 7086 1 10 . 1 1 74 74 LEU N N 74 118.230 118.230 117.375 0.855 18681 7087 1 10 . 1 1 74 74 LEU HA H 74 4.258 4.258 3.931 0.327 18681 7088 1 10 . 1 1 74 74 LEU CA C 74 55.050 55.050 56.334 -1.284 18681 7089 1 10 . 1 1 74 74 LEU CB C 74 42.380 42.380 42.486 -0.106 18681 7090 1 10 . 1 1 74 74 LEU H H 74 8.050 8.050 7.874 0.176 18681 7091 1 10 . 1 1 75 75 GLY N N 75 106.441 106.441 106.636 -0.195 18681 7092 1 10 . 1 1 75 75 GLY CA C 75 47.098 47.098 46.463 0.635 18681 7093 1 10 . 1 1 75 75 GLY H H 75 7.420 7.420 8.478 -1.058 18681 7094 1 10 . 1 1 76 76 ASP N N 76 121.520 121.520 126.455 -4.935 18681 7095 1 10 . 1 1 76 76 ASP HA H 76 4.533 4.533 4.662 -0.129 18681 7096 1 10 . 1 1 76 76 ASP CA C 76 53.148 53.148 52.790 0.358 18681 7097 1 10 . 1 1 76 76 ASP CB C 76 39.714 39.714 39.222 0.492 18681 7098 1 10 . 1 1 76 76 ASP H H 76 8.332 8.332 8.197 0.135 18681 7099 1 10 . 1 1 77 77 ASN N N 77 121.250 121.250 120.436 0.814 18681 7100 1 10 . 1 1 77 77 ASN HA H 77 4.489 4.489 4.895 -0.406 18681 7101 1 10 . 1 1 77 77 ASN CA C 77 54.063 54.063 52.058 2.005 18681 7102 1 10 . 1 1 77 77 ASN CB C 77 40.058 40.058 42.052 -1.994 18681 7103 1 10 . 1 1 77 77 ASN H H 77 7.725 7.725 7.794 -0.069 18681 7104 1 10 . 1 1 78 78 GLU N N 78 129.390 129.390 124.670 4.720 18681 7105 1 10 . 1 1 78 78 GLU HA H 78 4.225 4.225 4.005 0.220 18681 7106 1 10 . 1 1 78 78 GLU CA C 78 58.888 58.888 59.995 -1.107 18681 7107 1 10 . 1 1 78 78 GLU CB C 78 29.698 29.698 29.991 -0.294 18681 7108 1 10 . 1 1 78 78 GLU H H 78 9.282 9.282 8.934 0.348 18681 7109 1 10 . 1 1 79 79 ALA N N 79 116.576 116.576 122.453 -5.877 18681 7110 1 10 . 1 1 79 79 ALA HA H 79 4.079 4.079 4.350 -0.271 18681 7111 1 10 . 1 1 79 79 ALA CA C 79 53.222 53.222 55.251 -2.029 18681 7112 1 10 . 1 1 79 79 ALA CB C 79 19.347 19.347 18.323 1.024 18681 7113 1 10 . 1 1 79 79 ALA H H 79 8.285 8.285 8.354 -0.069 18681 7114 1 10 . 1 1 80 80 ILE N N 80 116.410 116.410 118.535 -2.125 18681 7115 1 10 . 1 1 80 80 ILE HA H 80 4.043 4.043 3.665 0.378 18681 7116 1 10 . 1 1 80 80 ILE CA C 80 59.695 59.695 64.108 -4.412 18681 7117 1 10 . 1 1 80 80 ILE CB C 80 36.642 36.642 36.654 -0.012 18681 7118 1 10 . 1 1 80 80 ILE H H 80 7.857 7.857 8.206 -0.349 18681 7119 1 10 . 1 1 81 81 THR N N 81 110.649 110.649 112.466 -1.817 18681 7120 1 10 . 1 1 81 81 THR HA H 81 4.079 4.079 4.175 -0.096 18681 7121 1 10 . 1 1 81 81 THR CA C 81 63.509 63.509 63.878 -0.369 18681 7122 1 10 . 1 1 81 81 THR CB C 81 68.764 68.764 69.286 -0.522 18681 7123 1 10 . 1 1 81 81 THR H H 81 7.869 7.869 8.127 -0.258 18681 7124 1 10 . 1 1 82 82 GLN N N 82 120.522 120.522 122.648 -2.126 18681 7125 1 10 . 1 1 82 82 GLN HA H 82 4.743 4.743 4.320 0.423 18681 7126 1 10 . 1 1 82 82 GLN CB C 82 29.184 29.184 29.125 0.059 18681 7127 1 10 . 1 1 82 82 GLN H H 82 8.016 8.016 8.315 -0.299 18681 7128 1 10 . 1 1 83 83 GLU N N 83 126.907 126.907 127.208 -0.301 18681 7129 1 10 . 1 1 83 83 GLU HA H 83 4.011 4.011 4.333 -0.322 18681 7130 1 10 . 1 1 83 83 GLU CA C 83 60.736 60.736 59.462 1.274 18681 7131 1 10 . 1 1 83 83 GLU CB C 83 29.353 29.353 29.429 -0.076 18681 7132 1 10 . 1 1 83 83 GLU H H 83 9.146 9.146 9.042 0.104 18681 7133 1 10 . 1 1 84 84 ILE N N 84 115.693 115.693 115.756 -0.063 18681 7134 1 10 . 1 1 84 84 ILE HA H 84 3.764 3.764 3.699 0.065 18681 7135 1 10 . 1 1 84 84 ILE CA C 84 63.908 63.908 64.472 -0.564 18681 7136 1 10 . 1 1 84 84 ILE CB C 84 37.762 37.762 36.834 0.928 18681 7137 1 10 . 1 1 84 84 ILE H H 84 8.460 8.460 8.110 0.350 18681 7138 1 10 . 1 1 85 85 VAL N N 85 123.415 123.415 120.887 2.528 18681 7139 1 10 . 1 1 85 85 VAL HA H 85 3.714 3.714 3.647 0.067 18681 7140 1 10 . 1 1 85 85 VAL CA C 85 65.226 65.226 66.131 -0.905 18681 7141 1 10 . 1 1 85 85 VAL CB C 85 31.142 31.142 31.260 -0.118 18681 7142 1 10 . 1 1 85 85 VAL H H 85 7.034 7.034 7.798 -0.764 18681 7143 1 10 . 1 1 86 86 GLY N N 86 110.422 110.422 107.437 2.985 18681 7144 1 10 . 1 1 86 86 GLY CA C 86 49.167 49.167 47.219 1.948 18681 7145 1 10 . 1 1 86 86 GLY H H 86 8.139 8.139 7.912 0.227 18681 7146 1 10 . 1 1 87 87 CYS N N 87 121.087 121.087 120.529 0.558 18681 7147 1 10 . 1 1 87 87 CYS HA H 87 2.923 2.923 3.684 -0.761 18681 7148 1 10 . 1 1 87 87 CYS CA C 87 62.064 62.064 61.977 0.087 18681 7149 1 10 . 1 1 87 87 CYS CB C 87 25.682 25.682 26.753 -1.071 18681 7150 1 10 . 1 1 87 87 CYS H H 87 8.052 8.052 8.346 -0.294 18681 7151 1 10 . 1 1 88 88 ALA N N 88 119.739 119.739 122.245 -2.506 18681 7152 1 10 . 1 1 88 88 ALA HA H 88 4.109 4.109 3.887 0.222 18681 7153 1 10 . 1 1 88 88 ALA CA C 88 54.895 54.895 55.007 -0.112 18681 7154 1 10 . 1 1 88 88 ALA CB C 88 17.680 17.680 17.856 -0.176 18681 7155 1 10 . 1 1 88 88 ALA H H 88 7.230 7.230 8.247 -1.017 18681 7156 1 10 . 1 1 89 89 HIS N N 89 118.056 118.056 119.198 -1.142 18681 7157 1 10 . 1 1 89 89 HIS HA H 89 4.172 4.172 4.254 -0.082 18681 7158 1 10 . 1 1 89 89 HIS CA C 89 59.587 59.587 60.232 -0.645 18681 7159 1 10 . 1 1 89 89 HIS CB C 89 30.446 30.446 29.987 0.459 18681 7160 1 10 . 1 1 89 89 HIS H H 89 8.190 8.190 7.976 0.214 18681 7161 1 10 . 1 1 90 90 LEU N N 90 120.375 120.375 119.381 0.994 18681 7162 1 10 . 1 1 90 90 LEU HA H 90 3.953 3.953 3.876 0.077 18681 7163 1 10 . 1 1 90 90 LEU CA C 90 57.959 57.959 58.246 -0.287 18681 7164 1 10 . 1 1 90 90 LEU CB C 90 41.434 41.434 41.486 -0.052 18681 7165 1 10 . 1 1 90 90 LEU H H 90 8.115 8.115 7.811 0.304 18681 7166 1 10 . 1 1 91 91 GLU N N 91 119.711 119.711 119.730 -0.019 18681 7167 1 10 . 1 1 91 91 GLU HA H 91 3.801 3.801 3.736 0.065 18681 7168 1 10 . 1 1 91 91 GLU CA C 91 60.130 60.130 59.949 0.181 18681 7169 1 10 . 1 1 91 91 GLU CB C 91 29.870 29.870 29.386 0.484 18681 7170 1 10 . 1 1 91 91 GLU H H 91 9.186 9.186 8.226 0.960 18681 7171 1 10 . 1 1 92 92 ASN N N 92 116.626 116.626 117.844 -1.218 18681 7172 1 10 . 1 1 92 92 ASN HA H 92 4.411 4.411 4.401 0.010 18681 7173 1 10 . 1 1 92 92 ASN CA C 92 56.280 56.280 56.327 -0.047 18681 7174 1 10 . 1 1 92 92 ASN CB C 92 38.464 38.464 38.616 -0.152 18681 7175 1 10 . 1 1 92 92 ASN H H 92 8.392 8.392 8.078 0.314 18681 7176 1 10 . 1 1 93 93 TYR N N 93 121.123 121.123 120.559 0.564 18681 7177 1 10 . 1 1 93 93 TYR HA H 93 4.465 4.465 4.069 0.396 18681 7178 1 10 . 1 1 93 93 TYR CA C 93 59.339 59.339 61.522 -2.183 18681 7179 1 10 . 1 1 93 93 TYR CB C 93 38.593 38.593 38.080 0.513 18681 7180 1 10 . 1 1 93 93 TYR H H 93 7.742 7.742 7.829 -0.087 18681 7181 1 10 . 1 1 94 94 ALA N N 94 120.589 120.589 121.648 -1.059 18681 7182 1 10 . 1 1 94 94 ALA HA H 94 3.742 3.742 4.007 -0.265 18681 7183 1 10 . 1 1 94 94 ALA CA C 94 55.340 55.340 55.220 0.120 18681 7184 1 10 . 1 1 94 94 ALA CB C 94 17.779 17.779 18.390 -0.611 18681 7185 1 10 . 1 1 94 94 ALA H H 94 8.811 8.811 8.282 0.529 18681 7186 1 10 . 1 1 95 95 LEU HA H 95 4.132 4.132 4.084 0.048 18681 7187 1 10 . 1 1 95 95 LEU CB C 95 40.964 40.964 40.967 -0.003 18681 7188 1 10 . 1 1 95 95 LEU H H 95 8.345 8.345 8.143 0.202 18681 7189 1 10 . 1 1 96 96 LYS N N 96 119.704 119.704 119.474 0.230 18681 7190 1 10 . 1 1 96 96 LYS HA H 96 3.971 3.971 3.989 -0.018 18681 7191 1 10 . 1 1 96 96 LYS CA C 96 59.877 59.877 59.819 0.058 18681 7192 1 10 . 1 1 96 96 LYS CB C 96 32.096 32.096 32.279 -0.183 18681 7193 1 10 . 1 1 96 96 LYS H H 96 8.057 8.057 8.067 -0.010 18681 7194 1 10 . 1 1 97 97 MET N N 97 119.269 119.269 118.683 0.586 18681 7195 1 10 . 1 1 97 97 MET HA H 97 4.146 4.146 4.204 -0.058 18681 7196 1 10 . 1 1 97 97 MET CA C 97 59.020 59.020 59.506 -0.486 18681 7197 1 10 . 1 1 97 97 MET CB C 97 32.949 32.949 32.919 0.030 18681 7198 1 10 . 1 1 97 97 MET H H 97 7.791 7.791 7.803 -0.012 18681 7199 1 10 . 1 1 98 98 PHE N N 98 120.493 120.493 121.515 -1.022 18681 7200 1 10 . 1 1 98 98 PHE HA H 98 3.686 3.686 4.222 -0.536 18681 7201 1 10 . 1 1 98 98 PHE CA C 98 62.257 62.257 62.267 -0.009 18681 7202 1 10 . 1 1 98 98 PHE CB C 98 39.929 39.929 39.162 0.767 18681 7203 1 10 . 1 1 98 98 PHE H H 98 8.584 8.584 9.024 -0.440 18681 7204 1 10 . 1 1 99 99 LEU N N 99 118.196 118.196 119.393 -1.197 18681 7205 1 10 . 1 1 99 99 LEU HA H 99 3.923 3.923 3.913 0.010 18681 7206 1 10 . 1 1 99 99 LEU CA C 99 57.670 57.670 58.056 -0.387 18681 7207 1 10 . 1 1 99 99 LEU CB C 99 41.371 41.371 41.661 -0.291 18681 7208 1 10 . 1 1 99 99 LEU H H 99 9.148 9.148 8.775 0.373 18681 7209 1 10 . 1 1 100 100 TYR N N 100 119.695 119.695 120.539 -0.844 18681 7210 1 10 . 1 1 100 100 TYR HA H 100 4.179 4.179 3.924 0.255 18681 7211 1 10 . 1 1 100 100 TYR CA C 100 60.511 60.511 62.185 -1.674 18681 7212 1 10 . 1 1 100 100 TYR CB C 100 37.397 37.397 38.183 -0.786 18681 7213 1 10 . 1 1 100 100 TYR H H 100 7.699 7.699 8.054 -0.355 18681 7214 1 10 . 1 1 101 101 ALA N N 101 123.078 123.078 120.409 2.669 18681 7215 1 10 . 1 1 101 101 ALA HA H 101 2.916 2.916 3.803 -0.887 18681 7216 1 10 . 1 1 101 101 ALA CA C 101 55.042 55.042 55.047 -0.005 18681 7217 1 10 . 1 1 101 101 ALA CB C 101 16.049 16.049 17.925 -1.877 18681 7218 1 10 . 1 1 101 101 ALA H H 101 7.385 7.385 8.040 -0.655 18681 7219 1 10 . 1 1 102 102 ASP N N 102 117.073 117.073 118.950 -1.877 18681 7220 1 10 . 1 1 102 102 ASP HA H 102 4.287 4.287 4.196 0.091 18681 7221 1 10 . 1 1 102 102 ASP CA C 102 57.049 57.049 57.420 -0.371 18681 7222 1 10 . 1 1 102 102 ASP CB C 102 42.898 42.898 40.649 2.249 18681 7223 1 10 . 1 1 102 102 ASP H H 102 8.539 8.539 8.008 0.531 18681 7224 1 10 . 1 1 103 103 ASN N N 103 116.630 116.630 118.169 -1.539 18681 7225 1 10 . 1 1 103 103 ASN HA H 103 4.264 4.264 4.371 -0.107 18681 7226 1 10 . 1 1 103 103 ASN CA C 103 56.386 56.386 55.806 0.580 18681 7227 1 10 . 1 1 103 103 ASN CB C 103 38.332 38.332 38.089 0.243 18681 7228 1 10 . 1 1 103 103 ASN H H 103 7.970 7.970 8.484 -0.514 18681 7229 1 10 . 1 1 104 104 GLU N N 104 118.811 118.811 120.187 -1.376 18681 7230 1 10 . 1 1 104 104 GLU HA H 104 3.619 3.619 3.856 -0.237 18681 7231 1 10 . 1 1 104 104 GLU CA C 104 58.982 58.982 59.002 -0.020 18681 7232 1 10 . 1 1 104 104 GLU H H 104 7.474 7.474 7.601 -0.127 18681 7233 1 10 . 1 1 105 105 ASP N N 105 120.013 120.013 120.253 -0.240 18681 7234 1 10 . 1 1 105 105 ASP HA H 105 3.818 3.818 4.311 -0.493 18681 7235 1 10 . 1 1 105 105 ASP CA C 105 57.508 57.508 56.970 0.538 18681 7236 1 10 . 1 1 105 105 ASP CB C 105 43.738 43.738 40.908 2.830 18681 7237 1 10 . 1 1 105 105 ASP H H 105 8.212 8.212 8.038 0.174 18681 7238 1 10 . 1 1 106 106 ARG N N 106 116.747 116.747 119.545 -2.798 18681 7239 1 10 . 1 1 106 106 ARG HA H 106 3.804 3.804 4.098 -0.294 18681 7240 1 10 . 1 1 106 106 ARG CA C 106 59.150 59.150 58.299 0.851 18681 7241 1 10 . 1 1 106 106 ARG CB C 106 30.083 30.083 30.108 -0.025 18681 7242 1 10 . 1 1 106 106 ARG H H 106 8.532 8.532 7.931 0.601 18681 7243 1 10 . 1 1 107 107 ALA N N 107 119.388 119.388 119.964 -0.576 18681 7244 1 10 . 1 1 107 107 ALA HA H 107 4.232 4.232 4.201 0.031 18681 7245 1 10 . 1 1 107 107 ALA CA C 107 51.407 51.407 52.541 -1.133 18681 7246 1 10 . 1 1 107 107 ALA CB C 107 18.572 18.572 18.998 -0.426 18681 7247 1 10 . 1 1 107 107 ALA H H 107 7.302 7.302 7.581 -0.279 18681 7248 1 10 . 1 1 108 108 GLY N N 108 108.840 108.840 105.719 3.121 18681 7249 1 10 . 1 1 108 108 GLY CA C 108 45.735 45.735 44.535 1.200 18681 7250 1 10 . 1 1 108 108 GLY H H 108 7.905 7.905 7.460 0.445 18681 7251 1 10 . 1 1 109 109 ARG N N 109 121.140 121.140 119.297 1.843 18681 7252 1 10 . 1 1 109 109 ARG HA H 109 4.126 4.126 4.328 -0.202 18681 7253 1 10 . 1 1 109 109 ARG CA C 109 55.361 55.361 54.312 1.049 18681 7254 1 10 . 1 1 109 109 ARG H H 109 7.642 7.642 7.353 0.289 18681 7255 1 10 . 1 1 110 110 PHE N N 110 119.534 119.534 120.081 -0.547 18681 7256 1 10 . 1 1 110 110 PHE HA H 110 4.950 4.950 5.026 -0.076 18681 7257 1 10 . 1 1 110 110 PHE CA C 110 55.415 55.415 56.311 -0.896 18681 7258 1 10 . 1 1 110 110 PHE H H 110 7.644 7.644 8.207 -0.563 18681 7259 1 10 . 1 1 111 111 HIS N N 111 116.408 116.408 120.957 -4.549 18681 7260 1 10 . 1 1 111 111 HIS HA H 111 4.757 4.757 4.747 0.010 18681 7261 1 10 . 1 1 111 111 HIS CB C 111 32.022 32.022 33.469 -1.447 18681 7262 1 10 . 1 1 111 111 HIS H H 111 6.789 6.789 8.303 -1.514 18681 7263 1 10 . 1 1 112 112 LYS N N 112 119.836 119.836 123.228 -3.392 18681 7264 1 10 . 1 1 112 112 LYS HA H 112 4.059 4.059 3.942 0.117 18681 7265 1 10 . 1 1 112 112 LYS H H 112 8.267 8.267 8.734 -0.467 18681 7266 1 10 . 1 1 113 113 ASN N N 113 118.047 118.047 117.456 0.591 18681 7267 1 10 . 1 1 113 113 ASN HA H 113 4.737 4.737 4.522 0.215 18681 7268 1 10 . 1 1 113 113 ASN CB C 113 38.295 38.295 38.314 -0.019 18681 7269 1 10 . 1 1 113 113 ASN H H 113 8.831 8.831 8.412 0.419 18681 7270 1 10 . 1 1 114 114 MET N N 114 119.081 119.081 118.502 0.579 18681 7271 1 10 . 1 1 114 114 MET HA H 114 4.379 4.379 4.182 0.197 18681 7272 1 10 . 1 1 114 114 MET CA C 114 58.194 58.194 59.998 -1.804 18681 7273 1 10 . 1 1 114 114 MET H H 114 8.520 8.520 7.717 0.803 18681 7274 1 10 . 1 1 115 115 ILE N N 115 125.193 125.193 119.603 5.590 18681 7275 1 10 . 1 1 115 115 ILE HA H 115 3.651 3.651 3.614 0.037 18681 7276 1 10 . 1 1 115 115 ILE CA C 115 66.869 66.869 65.329 1.540 18681 7277 1 10 . 1 1 115 115 ILE CB C 115 39.162 39.162 37.425 1.737 18681 7278 1 10 . 1 1 115 115 ILE H H 115 7.737 7.737 7.518 0.219 18681 7279 1 10 . 1 1 116 116 LYS N N 116 118.190 118.190 120.428 -2.238 18681 7280 1 10 . 1 1 116 116 LYS HA H 116 4.150 4.150 3.951 0.199 18681 7281 1 10 . 1 1 116 116 LYS CA C 116 59.379 59.379 60.096 -0.717 18681 7282 1 10 . 1 1 116 116 LYS CB C 116 32.097 32.097 32.319 -0.223 18681 7283 1 10 . 1 1 116 116 LYS H H 116 8.393 8.393 8.058 0.335 18681 7284 1 10 . 1 1 117 117 SER N N 117 117.471 117.471 115.806 1.665 18681 7285 1 10 . 1 1 117 117 SER HA H 117 4.096 4.096 4.361 -0.265 18681 7286 1 10 . 1 1 117 117 SER CA C 117 63.167 63.167 61.528 1.639 18681 7287 1 10 . 1 1 117 117 SER CB C 117 63.135 63.135 62.880 0.255 18681 7288 1 10 . 1 1 117 117 SER H H 117 8.138 8.138 8.589 -0.451 18681 7289 1 10 . 1 1 118 118 PHE N N 118 121.885 121.885 121.977 -0.092 18681 7290 1 10 . 1 1 118 118 PHE HA H 118 4.408 4.408 4.291 0.117 18681 7291 1 10 . 1 1 118 118 PHE CA C 118 61.176 61.176 61.124 0.052 18681 7292 1 10 . 1 1 118 118 PHE CB C 118 38.889 38.889 38.717 0.172 18681 7293 1 10 . 1 1 118 118 PHE H H 118 8.168 8.168 8.365 -0.197 18681 7294 1 10 . 1 1 119 119 TYR N N 119 118.356 118.356 120.276 -1.920 18681 7295 1 10 . 1 1 119 119 TYR HA H 119 3.935 3.935 4.074 -0.139 18681 7296 1 10 . 1 1 119 119 TYR CA C 119 62.261 62.261 62.733 -0.472 18681 7297 1 10 . 1 1 119 119 TYR CB C 119 38.498 38.498 38.527 -0.029 18681 7298 1 10 . 1 1 119 119 TYR H H 119 8.693 8.693 8.713 -0.020 18681 7299 1 10 . 1 1 120 120 THR N N 120 117.468 117.468 116.426 1.042 18681 7300 1 10 . 1 1 120 120 THR HA H 120 3.705 3.705 3.964 -0.259 18681 7301 1 10 . 1 1 120 120 THR CA C 120 67.393 67.393 67.623 -0.230 18681 7302 1 10 . 1 1 120 120 THR CB C 120 68.041 68.041 68.454 -0.413 18681 7303 1 10 . 1 1 120 120 THR H H 120 9.582 9.582 8.490 1.092 18681 7304 1 10 . 1 1 121 121 ALA N N 121 124.210 124.210 124.328 -0.118 18681 7305 1 10 . 1 1 121 121 ALA HA H 121 3.940 3.940 3.956 -0.016 18681 7306 1 10 . 1 1 121 121 ALA CA C 121 56.508 56.508 55.470 1.038 18681 7307 1 10 . 1 1 121 121 ALA CB C 121 17.325 17.325 17.927 -0.602 18681 7308 1 10 . 1 1 121 121 ALA H H 121 8.444 8.444 8.071 0.373 18681 7309 1 10 . 1 1 122 122 SER N N 122 111.334 111.334 114.836 -3.502 18681 7310 1 10 . 1 1 122 122 SER HA H 122 4.009 4.009 4.050 -0.041 18681 7311 1 10 . 1 1 122 122 SER CA C 122 62.531 62.531 61.686 0.845 18681 7312 1 10 . 1 1 122 122 SER CB C 122 63.051 63.051 62.931 0.120 18681 7313 1 10 . 1 1 122 122 SER H H 122 7.724 7.724 7.837 -0.113 18681 7314 1 10 . 1 1 123 123 LEU N N 123 122.307 122.307 123.367 -1.060 18681 7315 1 10 . 1 1 123 123 LEU HA H 123 4.092 4.092 3.973 0.119 18681 7316 1 10 . 1 1 123 123 LEU CA C 123 57.100 57.100 57.870 -0.770 18681 7317 1 10 . 1 1 123 123 LEU CB C 123 41.615 41.615 41.830 -0.215 18681 7318 1 10 . 1 1 123 123 LEU H H 123 7.507 7.507 7.616 -0.109 18681 7319 1 10 . 1 1 124 124 LEU N N 124 117.851 117.851 120.186 -2.335 18681 7320 1 10 . 1 1 124 124 LEU HA H 124 3.935 3.935 3.941 -0.006 18681 7321 1 10 . 1 1 124 124 LEU CA C 124 56.967 56.967 58.336 -1.369 18681 7322 1 10 . 1 1 124 124 LEU CB C 124 41.832 41.832 41.833 -0.001 18681 7323 1 10 . 1 1 124 124 LEU H H 124 8.457 8.457 7.817 0.640 18681 7324 1 10 . 1 1 125 125 ILE N N 125 118.695 118.695 119.490 -0.795 18681 7325 1 10 . 1 1 125 125 ILE HA H 125 3.718 3.718 3.489 0.229 18681 7326 1 10 . 1 1 125 125 ILE CA C 125 65.097 65.097 64.139 0.958 18681 7327 1 10 . 1 1 125 125 ILE CB C 125 36.775 36.775 36.234 0.541 18681 7328 1 10 . 1 1 125 125 ILE H H 125 7.766 7.766 7.818 -0.052 18681 7329 1 10 . 1 1 126 126 ASP N N 126 117.428 117.428 120.245 -2.817 18681 7330 1 10 . 1 1 126 126 ASP HA H 126 4.128 4.128 4.398 -0.270 18681 7331 1 10 . 1 1 126 126 ASP CA C 126 57.998 57.998 57.254 0.744 18681 7332 1 10 . 1 1 126 126 ASP CB C 126 39.372 39.372 39.945 -0.573 18681 7333 1 10 . 1 1 126 126 ASP H H 126 7.288 7.288 7.758 -0.470 18681 7334 1 10 . 1 1 127 127 VAL N N 127 120.003 120.003 117.338 2.665 18681 7335 1 10 . 1 1 127 127 VAL HA H 127 2.992 2.992 3.937 -0.945 18681 7336 1 10 . 1 1 127 127 VAL CA C 127 65.615 65.615 65.596 0.019 18681 7337 1 10 . 1 1 127 127 VAL CB C 127 30.498 30.498 31.738 -1.240 18681 7338 1 10 . 1 1 127 127 VAL H H 127 7.366 7.366 7.429 -0.063 18681 7339 1 10 . 1 1 128 128 ILE N N 128 117.743 117.743 117.197 0.546 18681 7340 1 10 . 1 1 128 128 ILE HA H 128 3.956 3.956 4.139 -0.183 18681 7341 1 10 . 1 1 128 128 ILE CA C 128 64.219 64.219 63.689 0.530 18681 7342 1 10 . 1 1 128 128 ILE CB C 128 37.930 37.930 38.152 -0.222 18681 7343 1 10 . 1 1 128 128 ILE H H 128 7.727 7.727 7.566 0.161 18681 7344 1 10 . 1 1 129 129 THR N N 129 114.535 114.535 115.590 -1.055 18681 7345 1 10 . 1 1 129 129 THR HA H 129 4.638 4.638 4.163 0.475 18681 7346 1 10 . 1 1 129 129 THR CA C 129 64.808 64.808 66.146 -1.338 18681 7347 1 10 . 1 1 129 129 THR CB C 129 69.759 69.759 68.676 1.083 18681 7348 1 10 . 1 1 129 129 THR H H 129 7.873 7.873 8.300 -0.427 18681 7349 1 10 . 1 1 130 130 VAL N N 130 118.351 118.351 119.252 -0.901 18681 7350 1 10 . 1 1 130 130 VAL HA H 130 4.014 4.014 3.851 0.163 18681 7351 1 10 . 1 1 130 130 VAL CA C 130 64.220 64.220 65.107 -0.887 18681 7352 1 10 . 1 1 130 130 VAL CB C 130 31.307 31.307 30.930 0.377 18681 7353 1 10 . 1 1 130 130 VAL H H 130 8.381 8.381 7.866 0.515 18681 7354 1 10 . 1 1 131 131 PHE N N 131 117.227 117.227 120.457 -3.230 18681 7355 1 10 . 1 1 131 131 PHE HA H 131 4.567 4.567 4.371 0.196 18681 7356 1 10 . 1 1 131 131 PHE CA C 131 57.840 57.840 60.014 -2.174 18681 7357 1 10 . 1 1 131 131 PHE CB C 131 39.029 39.029 39.211 -0.182 18681 7358 1 10 . 1 1 131 131 PHE H H 131 7.638 7.638 8.002 -0.364 18681 7359 1 10 . 1 1 132 132 GLY N N 132 106.811 106.811 105.782 1.029 18681 7360 1 10 . 1 1 132 132 GLY CA C 132 43.921 43.921 45.100 -1.179 18681 7361 1 10 . 1 1 132 132 GLY H H 132 7.433 7.433 8.253 -0.820 18681 7362 1 10 . 1 1 133 133 GLU N N 133 119.340 119.340 120.542 -1.202 18681 7363 1 10 . 1 1 133 133 GLU HA H 133 4.082 4.082 4.581 -0.499 18681 7364 1 10 . 1 1 133 133 GLU CA C 133 56.504 56.504 55.457 1.047 18681 7365 1 10 . 1 1 133 133 GLU CB C 133 30.184 30.184 31.066 -0.882 18681 7366 1 10 . 1 1 133 133 GLU H H 133 8.278 8.278 8.327 -0.049 18681 7367 1 10 . 1 1 134 134 LEU N N 134 122.134 122.134 124.665 -2.531 18681 7368 1 10 . 1 1 134 134 LEU HA H 134 4.405 4.405 4.665 -0.260 18681 7369 1 10 . 1 1 134 134 LEU CA C 134 54.169 54.169 53.959 0.210 18681 7370 1 10 . 1 1 134 134 LEU CB C 134 43.997 43.997 44.391 -0.394 18681 7371 1 10 . 1 1 134 134 LEU H H 134 8.410 8.410 8.430 -0.020 18681 7372 1 10 . 1 1 135 135 THR N N 135 112.032 112.032 116.014 -3.982 18681 7373 1 10 . 1 1 135 135 THR HA H 135 4.220 4.220 4.483 -0.263 18681 7374 1 10 . 1 1 135 135 THR CA C 135 60.449 60.449 59.699 0.750 18681 7375 1 10 . 1 1 135 135 THR CB C 135 70.386 70.386 70.352 0.034 18681 7376 1 10 . 1 1 135 135 THR H H 135 8.192 8.192 8.045 0.147 18681 7377 1 10 . 1 1 136 136 ASP N N 136 121.429 121.429 124.317 -2.888 18681 7378 1 10 . 1 1 136 136 ASP HA H 136 4.191 4.191 4.354 -0.163 18681 7379 1 10 . 1 1 136 136 ASP CA C 136 57.415 57.415 57.618 -0.203 18681 7380 1 10 . 1 1 136 136 ASP CB C 136 40.518 40.518 40.917 -0.399 18681 7381 1 10 . 1 1 136 136 ASP H H 136 8.793 8.793 8.739 0.054 18681 7382 1 10 . 1 1 137 137 GLU N N 137 117.727 117.727 119.713 -1.986 18681 7383 1 10 . 1 1 137 137 GLU HA H 137 3.670 3.670 3.871 -0.201 18681 7384 1 10 . 1 1 137 137 GLU CA C 137 59.503 59.503 59.811 -0.308 18681 7385 1 10 . 1 1 137 137 GLU CB C 137 29.175 29.175 29.063 0.112 18681 7386 1 10 . 1 1 137 137 GLU H H 137 8.427 8.427 7.743 0.684 18681 7387 1 10 . 1 1 138 138 ASN N N 138 118.528 118.528 116.687 1.841 18681 7388 1 10 . 1 1 138 138 ASN HA H 138 4.488 4.488 4.267 0.221 18681 7389 1 10 . 1 1 138 138 ASN CA C 138 55.536 55.536 55.931 -0.395 18681 7390 1 10 . 1 1 138 138 ASN CB C 138 37.903 37.903 37.536 0.367 18681 7391 1 10 . 1 1 138 138 ASN H H 138 7.504 7.504 8.107 -0.603 18681 7392 1 10 . 1 1 139 139 VAL N N 139 122.269 122.269 121.093 1.176 18681 7393 1 10 . 1 1 139 139 VAL HA H 139 3.383 3.383 3.581 -0.198 18681 7394 1 10 . 1 1 139 139 VAL CA C 139 67.168 67.168 66.852 0.316 18681 7395 1 10 . 1 1 139 139 VAL CB C 139 31.765 31.765 31.473 0.292 18681 7396 1 10 . 1 1 139 139 VAL H H 139 8.249 8.249 8.101 0.148 18681 7397 1 10 . 1 1 140 140 LYS HA H 140 3.947 3.947 4.021 -0.074 18681 7398 1 10 . 1 1 140 140 LYS CA C 140 59.691 59.691 60.129 -0.438 18681 7399 1 10 . 1 1 140 140 LYS CB C 140 32.044 32.044 32.355 -0.311 18681 7400 1 10 . 1 1 140 140 LYS H H 140 7.994 7.994 8.582 -0.588 18681 7401 1 10 . 1 1 141 141 HIS N N 141 117.389 117.389 118.218 -0.829 18681 7402 1 10 . 1 1 141 141 HIS HA H 141 4.296 4.296 4.233 0.063 18681 7403 1 10 . 1 1 141 141 HIS CA C 141 57.657 57.657 59.108 -1.451 18681 7404 1 10 . 1 1 141 141 HIS CB C 141 28.500 28.500 29.101 -0.601 18681 7405 1 10 . 1 1 141 141 HIS H H 141 8.491 8.491 8.539 -0.048 18681 7406 1 10 . 1 1 142 142 ARG HA H 142 3.728 3.728 3.801 -0.073 18681 7407 1 10 . 1 1 142 142 ARG CA C 142 61.356 61.356 60.126 1.230 18681 7408 1 10 . 1 1 142 142 ARG H H 142 8.529 8.529 8.406 0.122 18681 7409 1 10 . 1 1 143 143 LYS N N 143 117.710 117.710 118.708 -0.998 18681 7410 1 10 . 1 1 143 143 LYS HA H 143 4.050 4.050 3.632 0.418 18681 7411 1 10 . 1 1 143 143 LYS CA C 143 59.368 59.368 59.474 -0.106 18681 7412 1 10 . 1 1 143 143 LYS CB C 143 32.794 32.794 32.310 0.484 18681 7413 1 10 . 1 1 143 143 LYS H H 143 7.664 7.664 7.683 -0.019 18681 7414 1 10 . 1 1 144 144 TYR HA H 144 4.275 4.275 4.275 -0.000 18681 7415 1 10 . 1 1 144 144 TYR CA C 144 62.445 62.445 61.690 0.756 18681 7416 1 10 . 1 1 144 144 TYR CB C 144 39.542 39.542 38.488 1.054 18681 7417 1 10 . 1 1 144 144 TYR H H 144 8.269 8.269 8.762 -0.493 18681 7418 1 10 . 1 1 145 145 ALA N N 145 118.744 118.744 121.067 -2.323 18681 7419 1 10 . 1 1 145 145 ALA HA H 145 3.667 3.667 4.190 -0.523 18681 7420 1 10 . 1 1 145 145 ALA CA C 145 54.777 54.777 55.140 -0.363 18681 7421 1 10 . 1 1 145 145 ALA CB C 145 18.761 18.761 18.023 0.738 18681 7422 1 10 . 1 1 145 145 ALA H H 145 8.825 8.825 8.662 0.163 18681 7423 1 10 . 1 1 146 146 ARG N N 146 116.092 116.092 118.771 -2.679 18681 7424 1 10 . 1 1 146 146 ARG HA H 146 3.865 3.865 3.976 -0.111 18681 7425 1 10 . 1 1 146 146 ARG CA C 146 59.666 59.666 59.900 -0.234 18681 7426 1 10 . 1 1 146 146 ARG CB C 146 30.400 30.400 29.748 0.652 18681 7427 1 10 . 1 1 146 146 ARG H H 146 8.024 8.024 7.811 0.213 18681 7428 1 10 . 1 1 147 147 TRP N N 147 119.666 119.666 119.457 0.209 18681 7429 1 10 . 1 1 147 147 TRP HA H 147 4.224 4.224 4.581 -0.357 18681 7430 1 10 . 1 1 147 147 TRP CA C 147 60.996 60.996 59.470 1.526 18681 7431 1 10 . 1 1 147 147 TRP CB C 147 28.593 28.593 28.879 -0.286 18681 7432 1 10 . 1 1 147 147 TRP H H 147 8.014 8.014 7.862 0.152 18681 7433 1 10 . 1 1 148 148 LYS N N 148 118.775 118.775 120.509 -1.734 18681 7434 1 10 . 1 1 148 148 LYS HA H 148 3.212 3.212 3.838 -0.626 18681 7435 1 10 . 1 1 148 148 LYS CA C 148 58.399 58.399 59.553 -1.154 18681 7436 1 10 . 1 1 148 148 LYS CB C 148 30.846 30.846 31.791 -0.945 18681 7437 1 10 . 1 1 148 148 LYS H H 148 8.619 8.619 8.478 0.141 18681 7438 1 10 . 1 1 149 149 ALA HA H 149 3.889 3.889 4.131 -0.242 18681 7439 1 10 . 1 1 149 149 ALA CA C 149 55.906 55.906 55.598 0.308 18681 7440 1 10 . 1 1 149 149 ALA CB C 149 18.443 18.443 18.345 0.098 18681 7441 1 10 . 1 1 149 149 ALA H H 149 7.813 7.813 8.563 -0.750 18681 7442 1 10 . 1 1 150 150 THR N N 150 112.174 112.174 116.538 -4.364 18681 7443 1 10 . 1 1 150 150 THR HA H 150 3.721 3.721 4.039 -0.318 18681 7444 1 10 . 1 1 150 150 THR CA C 150 66.282 66.282 67.748 -1.466 18681 7445 1 10 . 1 1 150 150 THR CB C 150 68.853 68.853 68.992 -0.139 18681 7446 1 10 . 1 1 150 150 THR H H 150 7.232 7.232 7.744 -0.512 18681 7447 1 10 . 1 1 151 151 TYR N N 151 123.353 123.353 123.109 0.244 18681 7448 1 10 . 1 1 151 151 TYR HA H 151 4.005 4.005 4.105 -0.100 18681 7449 1 10 . 1 1 151 151 TYR CA C 151 60.334 60.334 62.357 -2.023 18681 7450 1 10 . 1 1 151 151 TYR CB C 151 38.246 38.246 38.353 -0.108 18681 7451 1 10 . 1 1 151 151 TYR H H 151 8.513 8.513 8.695 -0.182 18681 7452 1 10 . 1 1 152 152 ILE N N 152 119.933 119.933 119.043 0.890 18681 7453 1 10 . 1 1 152 152 ILE HA H 152 2.789 2.789 3.382 -0.593 18681 7454 1 10 . 1 1 152 152 ILE CA C 152 65.885 65.885 65.883 0.002 18681 7455 1 10 . 1 1 152 152 ILE CB C 152 38.194 38.194 37.617 0.577 18681 7456 1 10 . 1 1 152 152 ILE H H 152 8.860 8.860 8.402 0.458 18681 7457 1 10 . 1 1 153 153 HIS N N 153 117.221 117.221 119.273 -2.052 18681 7458 1 10 . 1 1 153 153 HIS HA H 153 3.957 3.957 4.129 -0.172 18681 7459 1 10 . 1 1 153 153 HIS CA C 153 60.290 60.290 59.276 1.014 18681 7460 1 10 . 1 1 153 153 HIS CB C 153 30.363 30.363 29.391 0.972 18681 7461 1 10 . 1 1 153 153 HIS H H 153 7.757 7.757 8.080 -0.323 18681 7462 1 10 . 1 1 154 154 ASN N N 154 117.429 117.429 117.412 0.017 18681 7463 1 10 . 1 1 154 154 ASN HA H 154 4.124 4.124 4.243 -0.119 18681 7464 1 10 . 1 1 154 154 ASN CA C 154 55.977 55.977 56.229 -0.252 18681 7465 1 10 . 1 1 154 154 ASN CB C 154 37.579 37.579 38.490 -0.911 18681 7466 1 10 . 1 1 154 154 ASN H H 154 8.355 8.355 8.135 0.220 18681 7467 1 10 . 1 1 155 155 CYS N N 155 118.306 118.306 119.038 -0.732 18681 7468 1 10 . 1 1 155 155 CYS HA H 155 3.881 3.881 3.865 0.016 18681 7469 1 10 . 1 1 155 155 CYS CA C 155 64.039 64.039 63.924 0.115 18681 7470 1 10 . 1 1 155 155 CYS CB C 155 26.124 26.124 26.293 -0.169 18681 7471 1 10 . 1 1 155 155 CYS H H 155 8.020 8.020 7.960 0.060 18681 7472 1 10 . 1 1 156 156 LEU N N 156 118.448 118.448 120.148 -1.700 18681 7473 1 10 . 1 1 156 156 LEU HA H 156 3.944 3.944 3.838 0.106 18681 7474 1 10 . 1 1 156 156 LEU CA C 156 57.844 57.844 57.691 0.153 18681 7475 1 10 . 1 1 156 156 LEU CB C 156 40.196 40.196 41.643 -1.447 18681 7476 1 10 . 1 1 156 156 LEU H H 156 8.139 8.139 8.366 -0.227 18681 7477 1 10 . 1 1 157 157 LYS N N 157 120.180 120.180 119.791 0.389 18681 7478 1 10 . 1 1 157 157 LYS HA H 157 3.896 3.896 3.944 -0.048 18681 7479 1 10 . 1 1 157 157 LYS CA C 157 58.474 58.474 59.067 -0.593 18681 7480 1 10 . 1 1 157 157 LYS CB C 157 31.852 31.852 32.247 -0.395 18681 7481 1 10 . 1 1 157 157 LYS H H 157 7.912 7.912 7.771 0.141 18681 7482 1 10 . 1 1 158 158 ASN N N 158 115.220 115.220 115.436 -0.216 18681 7483 1 10 . 1 1 158 158 ASN HA H 158 4.730 4.730 4.658 0.072 18681 7484 1 10 . 1 1 158 158 ASN CB C 158 39.411 39.411 38.721 0.690 18681 7485 1 10 . 1 1 158 158 ASN H H 158 7.422 7.422 8.049 -0.627 18681 7486 1 10 . 1 1 159 159 GLY N N 159 108.815 108.815 105.551 3.264 18681 7487 1 10 . 1 1 159 159 GLY CA C 159 46.296 46.296 45.012 1.284 18681 7488 1 10 . 1 1 159 159 GLY H H 159 7.752 7.752 7.311 0.441 18681 7489 1 10 . 1 1 160 160 GLU N N 160 119.601 119.601 120.754 -1.153 18681 7490 1 10 . 1 1 160 160 GLU HA H 160 4.421 4.421 4.521 -0.100 18681 7491 1 10 . 1 1 160 160 GLU CA C 160 54.102 54.102 55.164 -1.062 18681 7492 1 10 . 1 1 160 160 GLU CB C 160 31.969 31.969 30.814 1.155 18681 7493 1 10 . 1 1 160 160 GLU H H 160 8.174 8.174 8.107 0.067 18681 7494 1 10 . 1 1 161 161 THR N N 161 120.600 120.600 115.953 4.647 18681 7495 1 10 . 1 1 161 161 THR HA H 161 4.341 4.341 4.319 0.022 18681 7496 1 10 . 1 1 161 161 THR CB C 161 69.624 69.624 68.269 1.355 18681 7497 1 10 . 1 1 161 161 THR H H 161 8.714 8.714 8.166 0.548 18681 7498 1 10 . 1 1 162 162 PRO HA H 162 4.277 4.277 4.270 0.007 18681 7499 1 10 . 1 1 162 162 PRO CA C 162 61.790 61.790 62.839 -1.049 18681 7500 1 10 . 1 1 162 162 PRO CB C 162 31.178 31.178 31.953 -0.776 18681 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 148 2.066 0.387 2.036 18681 2 1 1 "Average Difference" HA 167 0.307 0.065 0.301 18681 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18681 4 1 1 "Average Difference" CA 150 1.111 0.044 1.114 18681 5 1 1 "Average Difference" CB 143 0.823 0.073 0.823 18681 6 1 1 "Average Difference" HN 154 0.495 -0.065 0.493 18681 7 1 2 "Average Difference" N 148 2.152 0.444 2.113 18681 8 1 2 "Average Difference" HA 167 0.292 0.073 0.284 18681 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18681 10 1 2 "Average Difference" CA 150 1.090 0.052 1.093 18681 11 1 2 "Average Difference" CB 143 0.801 0.044 0.803 18681 12 1 2 "Average Difference" HN 154 0.512 -0.068 0.509 18681 13 1 3 "Average Difference" N 148 2.227 0.363 2.205 18681 14 1 3 "Average Difference" HA 167 0.282 0.074 0.273 18681 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18681 16 1 3 "Average Difference" CA 150 1.033 -0.011 1.036 18681 17 1 3 "Average Difference" CB 143 0.804 0.056 0.805 18681 18 1 3 "Average Difference" HN 154 0.505 -0.062 0.503 18681 19 1 4 "Average Difference" N 148 2.165 0.265 2.156 18681 20 1 4 "Average Difference" HA 167 0.289 0.065 0.282 18681 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18681 22 1 4 "Average Difference" CA 150 1.122 -0.026 1.125 18681 23 1 4 "Average Difference" CB 143 0.884 0.077 0.883 18681 24 1 4 "Average Difference" HN 154 0.482 -0.082 0.476 18681 25 1 5 "Average Difference" N 148 2.217 0.512 2.164 18681 26 1 5 "Average Difference" HA 167 0.308 0.081 0.298 18681 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18681 28 1 5 "Average Difference" CA 150 1.126 0.006 1.130 18681 29 1 5 "Average Difference" CB 143 0.795 0.031 0.797 18681 30 1 5 "Average Difference" HN 154 0.504 -0.056 0.503 18681 31 1 6 "Average Difference" N 148 2.144 0.270 2.135 18681 32 1 6 "Average Difference" HA 167 0.282 0.063 0.276 18681 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18681 34 1 6 "Average Difference" CA 150 1.087 0.001 1.091 18681 35 1 6 "Average Difference" CB 143 0.837 0.017 0.840 18681 36 1 6 "Average Difference" HN 154 0.492 -0.058 0.490 18681 37 1 7 "Average Difference" N 148 2.154 0.528 2.095 18681 38 1 7 "Average Difference" HA 167 0.279 0.058 0.274 18681 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18681 40 1 7 "Average Difference" CA 150 1.126 0.067 1.127 18681 41 1 7 "Average Difference" CB 143 0.796 -0.020 0.799 18681 42 1 7 "Average Difference" HN 154 0.481 -0.046 0.481 18681 43 1 8 "Average Difference" N 148 2.198 0.451 2.159 18681 44 1 8 "Average Difference" HA 167 0.296 0.057 0.292 18681 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18681 46 1 8 "Average Difference" CA 150 1.119 0.040 1.122 18681 47 1 8 "Average Difference" CB 143 0.849 0.067 0.849 18681 48 1 8 "Average Difference" HN 154 0.533 -0.047 0.533 18681 49 1 9 "Average Difference" N 148 2.128 0.414 2.094 18681 50 1 9 "Average Difference" HA 167 0.276 0.061 0.270 18681 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18681 52 1 9 "Average Difference" CA 150 1.006 0.066 1.007 18681 53 1 9 "Average Difference" CB 143 0.792 0.019 0.795 18681 54 1 9 "Average Difference" HN 154 0.506 -0.049 0.506 18681 55 1 10 "Average Difference" N 148 2.240 0.396 2.212 18681 56 1 10 "Average Difference" HA 167 0.289 0.062 0.284 18681 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18681 58 1 10 "Average Difference" CA 150 1.057 0.050 1.059 18681 59 1 10 "Average Difference" CB 143 0.868 0.042 0.870 18681 60 1 10 "Average Difference" HN 154 0.526 -0.029 0.527 18681 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 18681 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ALA N N 2 125.894 125.894 124.577 1.317 18681 2 1 . 1 1 2 2 ALA HA H 2 4.192 4.192 4.621 -0.429 18681 3 1 . 1 1 2 2 ALA CA C 2 52.096 52.096 52.115 -0.019 18681 4 1 . 1 1 2 2 ALA CB C 2 19.072 19.072 19.943 -0.871 18681 5 1 . 1 1 2 2 ALA H H 2 8.413 8.413 8.287 0.126 18681 6 1 . 1 1 3 3 ALA N N 3 123.543 123.543 124.623 -1.080 18681 7 1 . 1 1 3 3 ALA HA H 3 4.226 4.226 4.672 -0.446 18681 8 1 . 1 1 3 3 ALA CA C 3 51.943 51.943 51.680 0.263 18681 9 1 . 1 1 3 3 ALA CB C 3 18.992 18.992 20.472 -1.480 18681 10 1 . 1 1 3 3 ALA H H 3 8.233 8.233 8.180 0.053 18681 11 1 . 1 1 4 4 LEU N N 4 121.641 121.641 121.741 -0.100 18681 12 1 . 1 1 4 4 LEU HA H 4 4.284 4.284 4.528 -0.244 18681 13 1 . 1 1 4 4 LEU CA C 4 53.885 53.885 54.162 -0.277 18681 14 1 . 1 1 4 4 LEU CB C 4 42.307 42.307 42.756 -0.449 18681 15 1 . 1 1 4 4 LEU H H 4 8.114 8.114 8.465 -0.351 18681 16 1 . 1 1 5 5 ALA N N 5 128.329 128.329 125.148 3.181 18681 17 1 . 1 1 5 5 ALA HA H 5 4.453 4.453 4.483 -0.030 18681 18 1 . 1 1 5 5 ALA CA C 5 50.164 50.164 50.340 -0.176 18681 19 1 . 1 1 5 5 ALA CB C 5 17.687 17.687 18.351 -0.664 18681 20 1 . 1 1 5 5 ALA H H 5 8.623 8.623 8.147 0.476 18681 21 1 . 1 1 6 6 PRO HA H 6 4.274 4.274 4.391 -0.117 18681 22 1 . 1 1 6 6 PRO CA C 6 62.403 62.403 62.744 -0.341 18681 23 1 . 1 1 6 6 PRO CB C 6 32.105 32.105 32.234 -0.129 18681 24 1 . 1 1 7 7 LEU N N 7 122.228 122.228 122.828 -0.600 18681 25 1 . 1 1 7 7 LEU HA H 7 4.324 4.324 4.594 -0.270 18681 26 1 . 1 1 7 7 LEU CA C 7 52.914 52.914 51.876 1.038 18681 27 1 . 1 1 7 7 LEU CB C 7 40.952 40.952 41.415 -0.463 18681 28 1 . 1 1 7 7 LEU H H 7 8.264 8.264 8.161 0.103 18681 29 1 . 1 1 8 8 PRO HA H 8 4.745 4.745 4.590 0.155 18681 30 1 . 1 1 9 9 PRO HA H 9 4.200 4.200 4.296 -0.096 18681 31 1 . 1 1 9 9 PRO CA C 9 62.648 62.648 63.331 -0.683 18681 32 1 . 1 1 9 9 PRO CB C 9 31.646 31.646 32.195 -0.549 18681 33 1 . 1 1 10 10 LEU N N 10 125.824 125.824 124.955 0.870 18681 34 1 . 1 1 10 10 LEU HA H 10 3.742 3.742 4.412 -0.670 18681 35 1 . 1 1 10 10 LEU CA C 10 53.064 53.064 53.252 -0.188 18681 36 1 . 1 1 10 10 LEU CB C 10 42.980 42.980 42.494 0.487 18681 37 1 . 1 1 10 10 LEU H H 10 8.172 8.172 8.286 -0.114 18681 38 1 . 1 1 11 11 PRO HA H 11 4.175 4.175 4.402 -0.227 18681 39 1 . 1 1 11 11 PRO CA C 11 62.124 62.124 62.330 -0.206 18681 40 1 . 1 1 11 11 PRO CB C 11 32.442 32.442 32.350 0.092 18681 41 1 . 1 1 12 12 ALA N N 12 128.292 128.292 124.897 3.395 18681 42 1 . 1 1 12 12 ALA HA H 12 3.920 3.920 4.001 -0.081 18681 43 1 . 1 1 12 12 ALA CA C 12 55.057 55.057 54.537 0.520 18681 44 1 . 1 1 12 12 ALA CB C 12 17.918 17.918 18.889 -0.972 18681 45 1 . 1 1 12 12 ALA H H 12 8.851 8.851 8.524 0.327 18681 46 1 . 1 1 13 13 GLN N N 13 115.075 115.075 117.078 -2.003 18681 47 1 . 1 1 13 13 GLN HA H 13 4.024 4.024 4.044 -0.020 18681 48 1 . 1 1 13 13 GLN CA C 13 58.436 58.436 58.066 0.370 18681 49 1 . 1 1 13 13 GLN CB C 13 28.058 28.058 28.303 -0.245 18681 50 1 . 1 1 13 13 GLN H H 13 9.448 9.448 8.355 1.093 18681 51 1 . 1 1 14 14 PHE N N 14 116.832 116.832 116.492 0.340 18681 52 1 . 1 1 14 14 PHE HA H 14 4.865 4.865 4.659 0.206 18681 53 1 . 1 1 14 14 PHE CA C 14 52.224 52.224 55.759 -3.535 18681 54 1 . 1 1 14 14 PHE CB C 14 36.841 36.841 37.864 -1.023 18681 55 1 . 1 1 14 14 PHE H H 14 7.970 7.970 7.616 0.354 18681 56 1 . 1 1 15 15 LYS N N 15 120.886 120.886 121.234 -0.348 18681 57 1 . 1 1 15 15 LYS HA H 15 3.852 3.852 3.990 -0.138 18681 58 1 . 1 1 15 15 LYS CA C 15 60.248 60.248 59.606 0.642 18681 59 1 . 1 1 15 15 LYS CB C 15 32.137 32.137 32.137 0.000 18681 60 1 . 1 1 15 15 LYS H H 15 7.358 7.358 7.674 -0.316 18681 61 1 . 1 1 16 16 SER N N 16 111.755 111.755 114.814 -3.059 18681 62 1 . 1 1 16 16 SER HA H 16 4.321 4.321 4.300 0.021 18681 63 1 . 1 1 16 16 SER CA C 16 61.099 61.099 61.138 -0.039 18681 64 1 . 1 1 16 16 SER CB C 16 62.700 62.700 63.196 -0.496 18681 65 1 . 1 1 16 16 SER H H 16 8.733 8.733 8.261 0.472 18681 66 1 . 1 1 17 17 ILE N N 17 113.676 113.676 114.636 -0.960 18681 67 1 . 1 1 17 17 ILE HA H 17 6.002 6.002 4.962 1.040 18681 68 1 . 1 1 17 17 ILE CA C 17 60.675 60.675 60.325 0.350 18681 69 1 . 1 1 17 17 ILE CB C 17 37.907 37.907 37.005 0.902 18681 70 1 . 1 1 17 17 ILE H H 17 7.692 7.692 7.639 0.053 18681 71 1 . 1 1 18 18 GLN N N 18 122.213 122.213 122.618 -0.405 18681 72 1 . 1 1 18 18 GLN HA H 18 3.875 3.875 3.942 -0.067 18681 73 1 . 1 1 18 18 GLN CA C 18 59.886 59.886 59.811 0.075 18681 74 1 . 1 1 18 18 GLN CB C 18 29.027 29.027 28.651 0.376 18681 75 1 . 1 1 18 18 GLN H H 18 7.810 7.810 7.810 0.000 18681 76 1 . 1 1 19 19 HIS N N 19 118.333 118.333 116.952 1.381 18681 77 1 . 1 1 19 19 HIS HA H 19 4.547 4.547 4.365 0.182 18681 78 1 . 1 1 19 19 HIS CA C 19 58.358 58.358 59.454 -1.096 18681 79 1 . 1 1 19 19 HIS CB C 19 30.164 30.164 29.569 0.595 18681 80 1 . 1 1 19 19 HIS H H 19 9.436 9.436 8.446 0.990 18681 81 1 . 1 1 20 20 HIS N N 20 124.401 124.401 119.213 5.188 18681 82 1 . 1 1 20 20 HIS HA H 20 3.958 3.958 4.325 -0.367 18681 83 1 . 1 1 20 20 HIS CA C 20 62.329 62.329 60.463 1.866 18681 84 1 . 1 1 20 20 HIS CB C 20 30.170 30.170 29.900 0.270 18681 85 1 . 1 1 20 20 HIS H H 20 8.456 8.456 8.050 0.406 18681 86 1 . 1 1 21 21 LEU N N 21 118.826 118.826 117.464 1.362 18681 87 1 . 1 1 21 21 LEU HA H 21 4.096 4.096 4.172 -0.076 18681 88 1 . 1 1 21 21 LEU CA C 21 57.730 57.730 58.677 -0.948 18681 89 1 . 1 1 21 21 LEU CB C 21 41.415 41.415 41.123 0.292 18681 90 1 . 1 1 21 21 LEU H H 21 8.028 8.028 8.052 -0.024 18681 91 1 . 1 1 22 22 ARG N N 22 121.674 121.674 119.915 1.759 18681 92 1 . 1 1 22 22 ARG HA H 22 4.227 4.227 4.037 0.190 18681 93 1 . 1 1 22 22 ARG CA C 22 59.535 59.535 59.763 -0.228 18681 94 1 . 1 1 22 22 ARG CB C 22 29.809 29.809 29.998 -0.189 18681 95 1 . 1 1 22 22 ARG H H 22 8.103 8.103 8.156 -0.053 18681 96 1 . 1 1 23 23 THR N N 23 116.419 116.419 116.114 0.304 18681 97 1 . 1 1 23 23 THR HA H 23 4.113 4.113 4.179 -0.066 18681 98 1 . 1 1 23 23 THR CA C 23 67.072 67.072 66.521 0.551 18681 99 1 . 1 1 23 23 THR CB C 23 68.245 68.245 68.637 -0.392 18681 100 1 . 1 1 23 23 THR H H 23 8.208 8.208 8.155 0.053 18681 101 1 . 1 1 24 24 ALA N N 24 125.741 125.741 124.756 0.985 18681 102 1 . 1 1 24 24 ALA HA H 24 3.928 3.928 4.054 -0.126 18681 103 1 . 1 1 24 24 ALA CA C 24 56.675 56.675 55.318 1.357 18681 104 1 . 1 1 24 24 ALA CB C 24 19.011 19.011 18.191 0.820 18681 105 1 . 1 1 24 24 ALA H H 24 8.149 8.149 7.985 0.164 18681 106 1 . 1 1 25 25 GLN N N 25 115.916 115.916 117.531 -1.615 18681 107 1 . 1 1 25 25 GLN HA H 25 4.375 4.375 4.081 0.294 18681 108 1 . 1 1 25 25 GLN CA C 25 58.060 58.060 58.859 -0.799 18681 109 1 . 1 1 25 25 GLN CB C 25 28.423 28.423 28.484 -0.061 18681 110 1 . 1 1 25 25 GLN H H 25 7.785 7.785 8.274 -0.489 18681 111 1 . 1 1 26 26 GLU N N 26 117.821 117.821 118.460 -0.639 18681 112 1 . 1 1 26 26 GLU HA H 26 4.089 4.089 4.126 -0.037 18681 113 1 . 1 1 26 26 GLU CA C 26 58.165 58.165 58.631 -0.466 18681 114 1 . 1 1 26 26 GLU CB C 26 29.323 29.323 29.580 -0.257 18681 115 1 . 1 1 26 26 GLU H H 26 8.457 8.457 7.782 0.675 18681 116 1 . 1 1 27 27 HIS N N 27 115.762 115.762 119.099 -3.337 18681 117 1 . 1 1 27 27 HIS HA H 27 4.380 4.380 4.408 -0.028 18681 118 1 . 1 1 27 27 HIS CA C 27 59.076 59.076 59.553 -0.477 18681 119 1 . 1 1 27 27 HIS CB C 27 29.049 29.049 29.701 -0.652 18681 120 1 . 1 1 27 27 HIS H H 27 7.962 7.962 8.553 -0.591 18681 121 1 . 1 1 28 28 ASP N N 28 123.640 123.640 119.645 3.995 18681 122 1 . 1 1 28 28 ASP HA H 28 4.332 4.332 4.456 -0.124 18681 123 1 . 1 1 28 28 ASP CA C 28 58.935 58.935 57.114 1.821 18681 124 1 . 1 1 28 28 ASP CB C 28 40.355 40.355 40.733 -0.378 18681 125 1 . 1 1 28 28 ASP H H 28 7.593 7.593 8.438 -0.845 18681 126 1 . 1 1 29 29 LYS N N 29 113.398 113.398 116.798 -3.400 18681 127 1 . 1 1 29 29 LYS HA H 29 4.395 4.395 4.219 0.176 18681 128 1 . 1 1 29 29 LYS CA C 29 56.654 56.654 57.998 -1.344 18681 129 1 . 1 1 29 29 LYS CB C 29 32.708 32.708 32.838 -0.130 18681 130 1 . 1 1 29 29 LYS H H 29 8.013 8.013 7.649 0.364 18681 131 1 . 1 1 30 30 ARG N N 30 117.542 117.542 118.506 -0.964 18681 132 1 . 1 1 30 30 ARG HA H 30 4.244 4.244 4.274 -0.030 18681 133 1 . 1 1 30 30 ARG CA C 30 57.994 57.994 57.833 0.161 18681 134 1 . 1 1 30 30 ARG CB C 30 32.658 32.658 31.652 1.006 18681 135 1 . 1 1 30 30 ARG H H 30 7.873 7.873 7.734 0.139 18681 136 1 . 1 1 31 31 ASP N N 31 112.265 112.265 117.391 -5.126 18681 137 1 . 1 1 31 31 ASP HA H 31 4.866 4.866 5.155 -0.289 18681 138 1 . 1 1 31 31 ASP CA C 31 52.200 52.200 51.867 0.333 18681 139 1 . 1 1 31 31 ASP CB C 31 40.932 40.932 43.240 -2.308 18681 140 1 . 1 1 31 31 ASP H H 31 8.808 8.808 8.450 0.358 18681 141 1 . 1 1 32 32 PRO HA H 32 4.411 4.411 4.458 -0.046 18681 142 1 . 1 1 32 32 PRO CA C 32 63.963 63.963 65.007 -1.044 18681 143 1 . 1 1 32 32 PRO CB C 32 32.908 32.908 32.474 0.434 18681 144 1 . 1 1 33 33 VAL N N 33 117.414 117.414 118.709 -1.295 18681 145 1 . 1 1 33 33 VAL HA H 33 3.480 3.480 3.718 -0.238 18681 146 1 . 1 1 33 33 VAL CA C 33 66.518 66.518 66.477 0.041 18681 147 1 . 1 1 33 33 VAL CB C 33 31.120 31.120 31.134 -0.014 18681 148 1 . 1 1 33 33 VAL H H 33 7.656 7.656 8.057 -0.401 18681 149 1 . 1 1 34 34 VAL N N 34 120.456 120.456 119.840 0.616 18681 150 1 . 1 1 34 34 VAL HA H 34 3.561 3.561 3.715 -0.154 18681 151 1 . 1 1 34 34 VAL CA C 34 66.828 66.828 66.726 0.102 18681 152 1 . 1 1 34 34 VAL CB C 34 32.442 32.442 30.892 1.550 18681 153 1 . 1 1 34 34 VAL H H 34 7.234 7.234 8.063 -0.829 18681 154 1 . 1 1 35 35 ALA N N 35 121.869 121.869 123.027 -1.158 18681 155 1 . 1 1 35 35 ALA HA H 35 3.909 3.909 4.006 -0.097 18681 156 1 . 1 1 35 35 ALA CA C 35 56.024 56.024 55.350 0.673 18681 157 1 . 1 1 35 35 ALA CB C 35 19.264 19.264 18.324 0.940 18681 158 1 . 1 1 35 35 ALA H H 35 8.096 8.096 7.783 0.313 18681 159 1 . 1 1 36 36 TYR N N 36 117.995 117.995 120.504 -2.509 18681 160 1 . 1 1 36 36 TYR HA H 36 3.826 3.826 3.942 -0.116 18681 161 1 . 1 1 36 36 TYR CA C 36 62.044 62.044 62.630 -0.586 18681 162 1 . 1 1 36 36 TYR CB C 36 38.136 38.136 38.377 -0.241 18681 163 1 . 1 1 36 36 TYR H H 36 8.271 8.271 8.183 0.088 18681 164 1 . 1 1 37 37 TYR N N 37 116.773 116.773 117.197 -0.424 18681 165 1 . 1 1 37 37 TYR HA H 37 4.046 4.046 4.186 -0.140 18681 166 1 . 1 1 37 37 TYR CA C 37 63.831 63.831 62.440 1.391 18681 167 1 . 1 1 37 37 TYR CB C 37 37.749 37.749 38.153 -0.404 18681 168 1 . 1 1 37 37 TYR H H 37 8.213 8.213 7.978 0.235 18681 169 1 . 1 1 38 38 CYS N N 38 116.194 116.194 118.667 -2.473 18681 170 1 . 1 1 38 38 CYS HA H 38 4.370 4.370 4.064 0.306 18681 171 1 . 1 1 38 38 CYS CA C 38 64.389 64.389 63.651 0.738 18681 172 1 . 1 1 38 38 CYS CB C 38 27.945 27.945 26.981 0.964 18681 173 1 . 1 1 38 38 CYS H H 38 8.695 8.695 8.797 -0.102 18681 174 1 . 1 1 39 39 ARG N N 39 117.023 117.023 119.661 -2.638 18681 175 1 . 1 1 39 39 ARG HA H 39 3.804 3.804 4.015 -0.211 18681 176 1 . 1 1 39 39 ARG CA C 39 60.198 60.198 59.303 0.895 18681 177 1 . 1 1 39 39 ARG H H 39 7.005 7.005 8.424 -1.419 18681 178 1 . 1 1 40 40 LEU N N 40 123.317 123.317 121.401 1.916 18681 179 1 . 1 1 40 40 LEU HA H 40 3.813 3.813 3.891 -0.079 18681 180 1 . 1 1 40 40 LEU CA C 40 58.181 58.181 57.672 0.509 18681 181 1 . 1 1 40 40 LEU CB C 40 42.085 42.085 41.339 0.746 18681 182 1 . 1 1 40 40 LEU H H 40 8.326 8.326 7.598 0.728 18681 183 1 . 1 1 41 41 TYR N N 41 118.320 118.320 119.898 -1.578 18681 184 1 . 1 1 41 41 TYR HA H 41 3.732 3.732 4.023 -0.291 18681 185 1 . 1 1 41 41 TYR CA C 41 61.418 61.418 61.122 0.295 18681 186 1 . 1 1 41 41 TYR CB C 41 38.953 38.953 38.060 0.893 18681 187 1 . 1 1 41 41 TYR H H 41 8.533 8.533 7.905 0.628 18681 188 1 . 1 1 42 42 ALA N N 42 123.644 123.644 121.844 1.800 18681 189 1 . 1 1 42 42 ALA HA H 42 3.482 3.482 3.694 -0.212 18681 190 1 . 1 1 42 42 ALA CA C 42 55.157 55.157 54.826 0.331 18681 191 1 . 1 1 42 42 ALA CB C 42 18.413 18.413 18.342 0.071 18681 192 1 . 1 1 42 42 ALA H H 42 7.962 7.962 7.821 0.141 18681 193 1 . 1 1 43 43 MET N N 43 117.932 117.932 118.418 -0.486 18681 194 1 . 1 1 43 43 MET HA H 43 3.696 3.696 3.821 -0.125 18681 195 1 . 1 1 43 43 MET CA C 43 58.675 58.675 59.865 -1.190 18681 196 1 . 1 1 43 43 MET H H 43 8.433 8.433 8.104 0.329 18681 197 1 . 1 1 44 44 GLN N N 44 116.738 116.738 118.168 -1.430 18681 198 1 . 1 1 44 44 GLN HA H 44 3.773 3.773 3.863 -0.090 18681 199 1 . 1 1 44 44 GLN CA C 44 58.924 58.924 58.987 -0.063 18681 200 1 . 1 1 44 44 GLN CB C 44 27.921 27.921 28.459 -0.538 18681 201 1 . 1 1 44 44 GLN H H 44 8.307 8.307 7.928 0.380 18681 202 1 . 1 1 45 45 THR N N 45 116.249 116.249 114.406 1.843 18681 203 1 . 1 1 45 45 THR HA H 45 3.479 3.479 3.812 -0.333 18681 204 1 . 1 1 45 45 THR CA C 45 66.529 66.529 66.172 0.357 18681 205 1 . 1 1 45 45 THR CB C 45 67.635 67.635 68.093 -0.458 18681 206 1 . 1 1 45 45 THR H H 45 7.954 7.954 7.655 0.299 18681 207 1 . 1 1 46 46 GLY N N 46 110.016 110.016 109.770 0.246 18681 208 1 . 1 1 46 46 GLY CA C 46 46.653 46.653 46.931 -0.278 18681 209 1 . 1 1 46 46 GLY H H 46 8.429 8.429 8.162 0.267 18681 210 1 . 1 1 47 47 MET N N 47 118.040 118.040 119.672 -1.632 18681 211 1 . 1 1 47 47 MET HA H 47 3.876 3.876 4.430 -0.554 18681 212 1 . 1 1 47 47 MET CA C 47 58.136 58.136 57.988 0.148 18681 213 1 . 1 1 47 47 MET CB C 47 32.445 32.445 32.156 0.289 18681 214 1 . 1 1 47 47 MET H H 47 8.160 8.160 8.207 -0.048 18681 215 1 . 1 1 48 48 LYS N N 48 116.712 116.712 120.060 -3.348 18681 216 1 . 1 1 48 48 LYS HA H 48 4.012 4.012 4.026 -0.014 18681 217 1 . 1 1 48 48 LYS CA C 48 57.945 57.945 58.891 -0.946 18681 218 1 . 1 1 48 48 LYS CB C 48 32.533 32.533 32.388 0.145 18681 219 1 . 1 1 48 48 LYS H H 48 6.958 6.958 7.597 -0.639 18681 220 1 . 1 1 49 49 ILE N N 49 120.903 120.903 117.657 3.246 18681 221 1 . 1 1 49 49 ILE HA H 49 3.718 3.718 3.827 -0.109 18681 222 1 . 1 1 49 49 ILE CA C 49 64.863 64.863 63.842 1.021 18681 223 1 . 1 1 49 49 ILE CB C 49 39.087 39.087 38.506 0.581 18681 224 1 . 1 1 49 49 ILE H H 49 7.609 7.609 7.668 -0.059 18681 225 1 . 1 1 50 50 ASP N N 50 115.959 115.959 117.888 -1.929 18681 226 1 . 1 1 50 50 ASP HA H 50 4.488 4.488 4.891 -0.403 18681 227 1 . 1 1 50 50 ASP CA C 50 55.393 55.393 53.322 2.071 18681 228 1 . 1 1 50 50 ASP CB C 50 40.952 40.952 42.051 -1.100 18681 229 1 . 1 1 50 50 ASP H H 50 8.214 8.214 8.009 0.205 18681 230 1 . 1 1 51 51 SER N N 51 115.917 115.917 117.669 -1.752 18681 231 1 . 1 1 51 51 SER HA H 51 4.566 4.566 4.351 0.215 18681 232 1 . 1 1 51 51 SER CA C 51 56.544 56.544 60.177 -3.633 18681 233 1 . 1 1 51 51 SER CB C 51 64.126 64.126 63.913 0.213 18681 234 1 . 1 1 51 51 SER H H 51 8.438 8.438 8.572 -0.134 18681 235 1 . 1 1 52 52 LYS N N 52 122.213 122.213 120.649 1.564 18681 236 1 . 1 1 52 52 LYS HA H 52 4.438 4.438 4.545 -0.107 18681 237 1 . 1 1 52 52 LYS CB C 52 35.344 35.344 33.321 2.023 18681 238 1 . 1 1 52 52 LYS H H 52 8.937 8.937 8.093 0.844 18681 239 1 . 1 1 53 53 THR N N 53 122.291 122.291 120.026 2.264 18681 240 1 . 1 1 53 53 THR HA H 53 4.273 4.273 4.777 -0.504 18681 241 1 . 1 1 53 53 THR CA C 53 61.837 61.837 58.890 2.947 18681 242 1 . 1 1 53 53 THR CB C 53 68.067 68.067 69.871 -1.804 18681 243 1 . 1 1 53 53 THR H H 53 9.437 9.437 8.196 1.241 18681 244 1 . 1 1 54 54 PRO HA H 54 4.050 4.050 4.129 -0.079 18681 245 1 . 1 1 54 54 PRO CA C 54 66.870 66.870 65.730 1.140 18681 246 1 . 1 1 54 54 PRO CB C 54 31.670 31.670 31.911 -0.241 18681 247 1 . 1 1 55 55 GLU N N 55 116.532 116.532 117.564 -1.032 18681 248 1 . 1 1 55 55 GLU HA H 55 4.024 4.024 4.254 -0.230 18681 249 1 . 1 1 55 55 GLU CA C 55 59.870 59.870 58.820 1.050 18681 250 1 . 1 1 55 55 GLU CB C 55 28.759 28.759 29.442 -0.683 18681 251 1 . 1 1 55 55 GLU H H 55 9.352 9.352 8.493 0.859 18681 252 1 . 1 1 56 56 CYS N N 56 119.066 119.066 118.908 0.158 18681 253 1 . 1 1 56 56 CYS HA H 56 3.759 3.759 4.114 -0.355 18681 254 1 . 1 1 56 56 CYS CA C 56 63.167 63.167 62.421 0.746 18681 255 1 . 1 1 56 56 CYS CB C 56 26.891 26.891 27.224 -0.333 18681 256 1 . 1 1 56 56 CYS H H 56 7.126 7.126 8.215 -1.089 18681 257 1 . 1 1 57 57 ARG N N 57 119.779 119.779 121.060 -1.281 18681 258 1 . 1 1 57 57 ARG HA H 57 3.876 3.876 3.875 0.001 18681 259 1 . 1 1 57 57 ARG CA C 57 60.025 60.025 60.005 0.020 18681 260 1 . 1 1 57 57 ARG H H 57 8.252 8.252 8.813 -0.561 18681 261 1 . 1 1 58 58 LYS N N 58 119.155 119.155 118.136 1.019 18681 262 1 . 1 1 58 58 LYS HA H 58 4.056 4.056 4.034 0.021 18681 263 1 . 1 1 58 58 LYS CA C 58 59.205 59.205 59.290 -0.084 18681 264 1 . 1 1 58 58 LYS CB C 58 32.127 32.127 32.034 0.093 18681 265 1 . 1 1 58 58 LYS H H 58 8.394 8.394 7.786 0.608 18681 266 1 . 1 1 59 59 PHE N N 59 119.989 119.989 121.114 -1.125 18681 267 1 . 1 1 59 59 PHE HA H 59 3.748 3.748 4.181 -0.433 18681 268 1 . 1 1 59 59 PHE CA C 59 63.103 63.103 61.575 1.528 18681 269 1 . 1 1 59 59 PHE CB C 59 39.644 39.644 39.108 0.537 18681 270 1 . 1 1 59 59 PHE H H 59 7.720 7.720 7.815 -0.095 18681 271 1 . 1 1 60 60 LEU N N 60 117.203 117.203 119.606 -2.403 18681 272 1 . 1 1 60 60 LEU HA H 60 3.991 3.991 3.886 0.105 18681 273 1 . 1 1 60 60 LEU CA C 60 57.969 57.969 58.209 -0.240 18681 274 1 . 1 1 60 60 LEU CB C 60 41.187 41.187 41.634 -0.447 18681 275 1 . 1 1 60 60 LEU H H 60 8.685 8.685 8.780 -0.095 18681 276 1 . 1 1 61 61 SER N N 61 114.724 114.724 115.277 -0.553 18681 277 1 . 1 1 61 61 SER HA H 61 4.188 4.188 4.063 0.125 18681 278 1 . 1 1 61 61 SER CA C 61 61.650 61.650 61.952 -0.302 18681 279 1 . 1 1 61 61 SER CB C 61 62.589 62.589 62.828 -0.239 18681 280 1 . 1 1 61 61 SER H H 61 8.107 8.107 8.435 -0.328 18681 281 1 . 1 1 62 62 LYS N N 62 120.164 120.164 121.748 -1.584 18681 282 1 . 1 1 62 62 LYS HA H 62 4.147 4.147 4.026 0.121 18681 283 1 . 1 1 62 62 LYS CA C 62 57.139 57.139 58.813 -1.674 18681 284 1 . 1 1 62 62 LYS CB C 62 30.881 30.881 32.163 -1.282 18681 285 1 . 1 1 62 62 LYS H H 62 7.541 7.541 7.935 -0.394 18681 286 1 . 1 1 63 63 LEU N N 63 123.446 123.446 121.774 1.671 18681 287 1 . 1 1 63 63 LEU HA H 63 3.926 3.926 3.895 0.031 18681 288 1 . 1 1 63 63 LEU CA C 63 57.709 57.709 57.756 -0.047 18681 289 1 . 1 1 63 63 LEU CB C 63 41.222 41.222 41.612 -0.390 18681 290 1 . 1 1 63 63 LEU H H 63 8.238 8.238 8.112 0.126 18681 291 1 . 1 1 64 64 MET N N 64 120.864 120.864 117.915 2.949 18681 292 1 . 1 1 64 64 MET HA H 64 4.143 4.143 4.064 0.079 18681 293 1 . 1 1 64 64 MET CA C 64 58.644 58.644 57.846 0.798 18681 294 1 . 1 1 64 64 MET CB C 64 31.625 31.625 31.579 0.046 18681 295 1 . 1 1 64 64 MET H H 64 8.608 8.608 8.355 0.253 18681 296 1 . 1 1 65 65 ASP N N 65 119.121 119.121 120.247 -1.126 18681 297 1 . 1 1 65 65 ASP HA H 65 4.373 4.373 4.439 -0.066 18681 298 1 . 1 1 65 65 ASP CA C 65 57.390 57.390 57.295 0.095 18681 299 1 . 1 1 65 65 ASP CB C 65 39.956 39.956 40.493 -0.537 18681 300 1 . 1 1 65 65 ASP H H 65 7.857 7.857 7.924 -0.067 18681 301 1 . 1 1 66 66 GLN N N 66 119.748 119.748 119.374 0.374 18681 302 1 . 1 1 66 66 GLN HA H 66 4.084 4.084 3.997 0.087 18681 303 1 . 1 1 66 66 GLN CB C 66 28.222 28.222 28.748 -0.526 18681 304 1 . 1 1 66 66 GLN H H 66 7.703 7.703 7.773 -0.070 18681 305 1 . 1 1 67 67 LEU N N 67 120.349 120.349 120.831 -0.483 18681 306 1 . 1 1 67 67 LEU HA H 67 3.890 3.890 3.874 0.016 18681 307 1 . 1 1 67 67 LEU CA C 67 58.914 58.914 58.305 0.609 18681 308 1 . 1 1 67 67 LEU H H 67 8.356 8.356 7.711 0.645 18681 309 1 . 1 1 68 68 GLU N N 68 118.268 118.268 119.194 -0.926 18681 310 1 . 1 1 68 68 GLU HA H 68 4.018 4.018 3.981 0.037 18681 311 1 . 1 1 68 68 GLU CA C 68 59.174 59.174 59.270 -0.097 18681 312 1 . 1 1 68 68 GLU CB C 68 29.419 29.419 29.148 0.271 18681 313 1 . 1 1 68 68 GLU H H 68 8.547 8.547 7.971 0.576 18681 314 1 . 1 1 69 69 ALA N N 69 122.349 122.349 122.879 -0.530 18681 315 1 . 1 1 69 69 ALA HA H 69 4.126 4.126 4.069 0.057 18681 316 1 . 1 1 69 69 ALA CA C 69 54.937 54.937 55.101 -0.164 18681 317 1 . 1 1 69 69 ALA CB C 69 18.147 18.147 18.194 -0.047 18681 318 1 . 1 1 69 69 ALA H H 69 7.853 7.853 8.062 -0.209 18681 319 1 . 1 1 70 70 LEU N N 70 120.257 120.257 119.089 1.168 18681 320 1 . 1 1 70 70 LEU HA H 70 4.016 4.016 3.911 0.105 18681 321 1 . 1 1 70 70 LEU CA C 70 57.750 57.750 57.971 -0.221 18681 322 1 . 1 1 70 70 LEU CB C 70 42.623 42.623 41.575 1.048 18681 323 1 . 1 1 70 70 LEU H H 70 8.553 8.553 7.916 0.637 18681 324 1 . 1 1 71 71 LYS HA H 71 3.431 3.431 3.766 -0.335 18681 325 1 . 1 1 71 71 LYS CB C 71 32.132 32.132 32.307 -0.175 18681 326 1 . 1 1 71 71 LYS H H 71 8.636 8.636 7.859 0.777 18681 327 1 . 1 1 72 72 LYS N N 72 117.417 117.417 118.448 -1.031 18681 328 1 . 1 1 72 72 LYS HA H 72 4.007 4.007 3.991 0.016 18681 329 1 . 1 1 72 72 LYS CA C 72 58.936 58.936 58.834 0.102 18681 330 1 . 1 1 72 72 LYS H H 72 7.620 7.620 7.958 -0.338 18681 331 1 . 1 1 73 73 GLN N N 73 119.180 119.180 118.448 0.732 18681 332 1 . 1 1 73 73 GLN HA H 73 4.027 4.027 4.055 -0.028 18681 333 1 . 1 1 73 73 GLN CA C 73 58.084 58.084 58.384 -0.300 18681 334 1 . 1 1 73 73 GLN CB C 73 29.044 29.044 28.743 0.301 18681 335 1 . 1 1 73 73 GLN H H 73 7.798 7.798 7.878 -0.080 18681 336 1 . 1 1 74 74 LEU N N 74 118.230 118.230 117.006 1.224 18681 337 1 . 1 1 74 74 LEU HA H 74 4.258 4.258 4.062 0.196 18681 338 1 . 1 1 74 74 LEU CA C 74 55.050 55.050 56.061 -1.011 18681 339 1 . 1 1 74 74 LEU CB C 74 42.380 42.380 42.615 -0.235 18681 340 1 . 1 1 74 74 LEU H H 74 8.050 8.050 7.842 0.208 18681 341 1 . 1 1 75 75 GLY N N 75 106.441 106.441 106.955 -0.514 18681 342 1 . 1 1 75 75 GLY CA C 75 47.098 47.098 45.847 1.251 18681 343 1 . 1 1 75 75 GLY H H 75 7.420 7.420 8.366 -0.946 18681 344 1 . 1 1 76 76 ASP N N 76 121.520 121.520 126.660 -5.140 18681 345 1 . 1 1 76 76 ASP HA H 76 4.533 4.533 4.738 -0.205 18681 346 1 . 1 1 76 76 ASP CA C 76 53.148 53.148 53.191 -0.043 18681 347 1 . 1 1 76 76 ASP CB C 76 39.714 39.714 39.875 -0.161 18681 348 1 . 1 1 76 76 ASP H H 76 8.332 8.332 8.295 0.037 18681 349 1 . 1 1 77 77 ASN N N 77 121.250 121.250 121.441 -0.191 18681 350 1 . 1 1 77 77 ASN HA H 77 4.489 4.489 4.880 -0.391 18681 351 1 . 1 1 77 77 ASN CA C 77 54.063 54.063 52.112 1.951 18681 352 1 . 1 1 77 77 ASN CB C 77 40.058 40.058 41.535 -1.477 18681 353 1 . 1 1 77 77 ASN H H 77 7.725 7.725 7.921 -0.196 18681 354 1 . 1 1 78 78 GLU N N 78 129.390 129.390 125.600 3.790 18681 355 1 . 1 1 78 78 GLU HA H 78 4.225 4.225 4.034 0.191 18681 356 1 . 1 1 78 78 GLU CA C 78 58.888 58.888 60.056 -1.168 18681 357 1 . 1 1 78 78 GLU CB C 78 29.698 29.698 29.829 -0.131 18681 358 1 . 1 1 78 78 GLU H H 78 9.282 9.282 8.988 0.294 18681 359 1 . 1 1 79 79 ALA N N 79 116.576 116.576 121.242 -4.666 18681 360 1 . 1 1 79 79 ALA HA H 79 4.079 4.079 4.231 -0.152 18681 361 1 . 1 1 79 79 ALA CA C 79 53.222 53.222 55.014 -1.792 18681 362 1 . 1 1 79 79 ALA CB C 79 19.347 19.347 18.530 0.817 18681 363 1 . 1 1 79 79 ALA H H 79 8.285 8.285 8.366 -0.081 18681 364 1 . 1 1 80 80 ILE N N 80 116.410 116.410 116.469 -0.059 18681 365 1 . 1 1 80 80 ILE HA H 80 4.043 4.043 3.741 0.302 18681 366 1 . 1 1 80 80 ILE CA C 80 59.695 59.695 63.143 -3.448 18681 367 1 . 1 1 80 80 ILE CB C 80 36.642 36.642 37.298 -0.656 18681 368 1 . 1 1 80 80 ILE H H 80 7.857 7.857 7.718 0.139 18681 369 1 . 1 1 81 81 THR N N 81 110.649 110.649 111.289 -0.640 18681 370 1 . 1 1 81 81 THR HA H 81 4.079 4.079 4.158 -0.079 18681 371 1 . 1 1 81 81 THR CA C 81 63.509 63.509 63.654 -0.145 18681 372 1 . 1 1 81 81 THR CB C 81 68.764 68.764 69.562 -0.798 18681 373 1 . 1 1 81 81 THR H H 81 7.869 7.869 8.017 -0.148 18681 374 1 . 1 1 82 82 GLN N N 82 120.522 120.522 122.115 -1.594 18681 375 1 . 1 1 82 82 GLN HA H 82 4.743 4.743 4.559 0.184 18681 376 1 . 1 1 82 82 GLN CB C 82 29.184 29.184 30.046 -0.862 18681 377 1 . 1 1 82 82 GLN H H 82 8.016 8.016 8.066 -0.050 18681 378 1 . 1 1 83 83 GLU N N 83 126.907 126.907 125.956 0.951 18681 379 1 . 1 1 83 83 GLU HA H 83 4.011 4.011 4.267 -0.256 18681 380 1 . 1 1 83 83 GLU CA C 83 60.736 60.736 59.298 1.438 18681 381 1 . 1 1 83 83 GLU CB C 83 29.353 29.353 29.441 -0.088 18681 382 1 . 1 1 83 83 GLU H H 83 9.146 9.146 9.056 0.090 18681 383 1 . 1 1 84 84 ILE N N 84 115.693 115.693 115.684 0.009 18681 384 1 . 1 1 84 84 ILE HA H 84 3.764 3.764 3.692 0.072 18681 385 1 . 1 1 84 84 ILE CA C 84 63.908 63.908 64.364 -0.457 18681 386 1 . 1 1 84 84 ILE CB C 84 37.762 37.762 37.021 0.741 18681 387 1 . 1 1 84 84 ILE H H 84 8.460 8.460 7.845 0.615 18681 388 1 . 1 1 85 85 VAL N N 85 123.415 123.415 120.875 2.540 18681 389 1 . 1 1 85 85 VAL HA H 85 3.714 3.714 3.670 0.044 18681 390 1 . 1 1 85 85 VAL CA C 85 65.226 65.226 66.244 -1.017 18681 391 1 . 1 1 85 85 VAL CB C 85 31.142 31.142 31.070 0.072 18681 392 1 . 1 1 85 85 VAL H H 85 7.034 7.034 7.770 -0.736 18681 393 1 . 1 1 86 86 GLY N N 86 110.422 110.422 107.274 3.148 18681 394 1 . 1 1 86 86 GLY CA C 86 49.167 49.167 47.305 1.862 18681 395 1 . 1 1 86 86 GLY H H 86 8.139 8.139 7.921 0.217 18681 396 1 . 1 1 87 87 CYS N N 87 121.087 121.087 120.820 0.267 18681 397 1 . 1 1 87 87 CYS HA H 87 2.923 2.923 3.750 -0.827 18681 398 1 . 1 1 87 87 CYS CA C 87 62.064 62.064 63.070 -1.006 18681 399 1 . 1 1 87 87 CYS CB C 87 25.682 25.682 26.786 -1.104 18681 400 1 . 1 1 87 87 CYS H H 87 8.052 8.052 8.158 -0.106 18681 401 1 . 1 1 88 88 ALA N N 88 119.739 119.739 122.571 -2.832 18681 402 1 . 1 1 88 88 ALA HA H 88 4.109 4.109 3.953 0.156 18681 403 1 . 1 1 88 88 ALA CA C 88 54.895 54.895 54.920 -0.025 18681 404 1 . 1 1 88 88 ALA CB C 88 17.680 17.680 17.980 -0.300 18681 405 1 . 1 1 88 88 ALA H H 88 7.230 7.230 8.016 -0.786 18681 406 1 . 1 1 89 89 HIS N N 89 118.056 118.056 119.143 -1.087 18681 407 1 . 1 1 89 89 HIS HA H 89 4.172 4.172 4.254 -0.082 18681 408 1 . 1 1 89 89 HIS CA C 89 59.587 59.587 60.120 -0.533 18681 409 1 . 1 1 89 89 HIS CB C 89 30.446 30.446 30.033 0.413 18681 410 1 . 1 1 89 89 HIS H H 89 8.190 8.190 7.806 0.384 18681 411 1 . 1 1 90 90 LEU N N 90 120.375 120.375 119.609 0.766 18681 412 1 . 1 1 90 90 LEU HA H 90 3.953 3.953 3.972 -0.019 18681 413 1 . 1 1 90 90 LEU CA C 90 57.959 57.959 58.399 -0.440 18681 414 1 . 1 1 90 90 LEU CB C 90 41.434 41.434 41.541 -0.107 18681 415 1 . 1 1 90 90 LEU H H 90 8.115 8.115 8.065 0.050 18681 416 1 . 1 1 91 91 GLU N N 91 119.711 119.711 119.670 0.041 18681 417 1 . 1 1 91 91 GLU HA H 91 3.801 3.801 3.804 -0.003 18681 418 1 . 1 1 91 91 GLU CA C 91 60.130 60.130 59.807 0.323 18681 419 1 . 1 1 91 91 GLU CB C 91 29.870 29.870 29.413 0.457 18681 420 1 . 1 1 91 91 GLU H H 91 9.186 9.186 8.239 0.947 18681 421 1 . 1 1 92 92 ASN N N 92 116.626 116.626 117.903 -1.277 18681 422 1 . 1 1 92 92 ASN HA H 92 4.411 4.411 4.388 0.023 18681 423 1 . 1 1 92 92 ASN CA C 92 56.280 56.280 56.142 0.138 18681 424 1 . 1 1 92 92 ASN CB C 92 38.464 38.464 38.616 -0.151 18681 425 1 . 1 1 92 92 ASN H H 92 8.392 8.392 7.983 0.409 18681 426 1 . 1 1 93 93 TYR N N 93 121.123 121.123 120.404 0.719 18681 427 1 . 1 1 93 93 TYR HA H 93 4.465 4.465 4.057 0.408 18681 428 1 . 1 1 93 93 TYR CA C 93 59.339 59.339 61.105 -1.766 18681 429 1 . 1 1 93 93 TYR CB C 93 38.593 38.593 38.048 0.545 18681 430 1 . 1 1 93 93 TYR H H 93 7.742 7.742 7.926 -0.184 18681 431 1 . 1 1 94 94 ALA N N 94 120.589 120.589 121.654 -1.065 18681 432 1 . 1 1 94 94 ALA HA H 94 3.742 3.742 4.004 -0.262 18681 433 1 . 1 1 94 94 ALA CA C 94 55.340 55.340 55.304 0.036 18681 434 1 . 1 1 94 94 ALA CB C 94 17.779 17.779 18.354 -0.575 18681 435 1 . 1 1 94 94 ALA H H 94 8.811 8.811 8.191 0.620 18681 436 1 . 1 1 95 95 LEU HA H 95 4.132 4.132 4.009 0.123 18681 437 1 . 1 1 95 95 LEU CB C 95 40.964 40.964 40.862 0.102 18681 438 1 . 1 1 95 95 LEU H H 95 8.345 8.345 7.875 0.469 18681 439 1 . 1 1 96 96 LYS N N 96 119.704 119.704 119.638 0.067 18681 440 1 . 1 1 96 96 LYS HA H 96 3.971 3.971 3.980 -0.009 18681 441 1 . 1 1 96 96 LYS CA C 96 59.877 59.877 59.710 0.167 18681 442 1 . 1 1 96 96 LYS CB C 96 32.096 32.096 32.237 -0.141 18681 443 1 . 1 1 96 96 LYS H H 96 8.057 8.057 7.996 0.061 18681 444 1 . 1 1 97 97 MET N N 97 119.269 119.269 118.492 0.777 18681 445 1 . 1 1 97 97 MET HA H 97 4.146 4.146 4.208 -0.062 18681 446 1 . 1 1 97 97 MET CA C 97 59.020 59.020 58.787 0.233 18681 447 1 . 1 1 97 97 MET CB C 97 32.949 32.949 32.644 0.305 18681 448 1 . 1 1 97 97 MET H H 97 7.791 7.791 7.924 -0.133 18681 449 1 . 1 1 98 98 PHE N N 98 120.493 120.493 121.229 -0.736 18681 450 1 . 1 1 98 98 PHE HA H 98 3.686 3.686 4.048 -0.362 18681 451 1 . 1 1 98 98 PHE CA C 98 62.257 62.257 62.214 0.044 18681 452 1 . 1 1 98 98 PHE CB C 98 39.929 39.929 39.142 0.787 18681 453 1 . 1 1 98 98 PHE H H 98 8.584 8.584 8.645 -0.061 18681 454 1 . 1 1 99 99 LEU N N 99 118.196 118.196 119.165 -0.969 18681 455 1 . 1 1 99 99 LEU HA H 99 3.923 3.923 3.938 -0.015 18681 456 1 . 1 1 99 99 LEU CA C 99 57.670 57.670 58.154 -0.484 18681 457 1 . 1 1 99 99 LEU CB C 99 41.371 41.371 41.511 -0.140 18681 458 1 . 1 1 99 99 LEU H H 99 9.148 9.148 8.629 0.519 18681 459 1 . 1 1 100 100 TYR N N 100 119.695 119.695 120.463 -0.768 18681 460 1 . 1 1 100 100 TYR HA H 100 4.179 4.179 3.936 0.243 18681 461 1 . 1 1 100 100 TYR CA C 100 60.511 60.511 61.871 -1.360 18681 462 1 . 1 1 100 100 TYR CB C 100 37.397 37.397 38.124 -0.727 18681 463 1 . 1 1 100 100 TYR H H 100 7.699 7.699 8.113 -0.414 18681 464 1 . 1 1 101 101 ALA N N 101 123.078 123.078 120.862 2.216 18681 465 1 . 1 1 101 101 ALA HA H 101 2.916 2.916 3.693 -0.777 18681 466 1 . 1 1 101 101 ALA CA C 101 55.042 55.042 54.794 0.248 18681 467 1 . 1 1 101 101 ALA CB C 101 16.049 16.049 17.552 -1.503 18681 468 1 . 1 1 101 101 ALA H H 101 7.385 7.385 7.959 -0.574 18681 469 1 . 1 1 102 102 ASP N N 102 117.073 117.073 118.734 -1.661 18681 470 1 . 1 1 102 102 ASP HA H 102 4.287 4.287 4.309 -0.022 18681 471 1 . 1 1 102 102 ASP CA C 102 57.049 57.049 57.366 -0.317 18681 472 1 . 1 1 102 102 ASP CB C 102 42.898 42.898 40.702 2.196 18681 473 1 . 1 1 102 102 ASP H H 102 8.539 8.539 7.858 0.681 18681 474 1 . 1 1 103 103 ASN N N 103 116.630 116.630 118.042 -1.412 18681 475 1 . 1 1 103 103 ASN HA H 103 4.264 4.264 4.363 -0.099 18681 476 1 . 1 1 103 103 ASN CA C 103 56.386 56.386 55.982 0.404 18681 477 1 . 1 1 103 103 ASN CB C 103 38.332 38.332 38.285 0.047 18681 478 1 . 1 1 103 103 ASN H H 103 7.970 7.970 8.395 -0.425 18681 479 1 . 1 1 104 104 GLU N N 104 118.811 118.811 119.689 -0.878 18681 480 1 . 1 1 104 104 GLU HA H 104 3.619 3.619 3.856 -0.237 18681 481 1 . 1 1 104 104 GLU CA C 104 58.982 58.982 59.033 -0.051 18681 482 1 . 1 1 104 104 GLU H H 104 7.474 7.474 7.684 -0.210 18681 483 1 . 1 1 105 105 ASP N N 105 120.013 120.013 119.619 0.394 18681 484 1 . 1 1 105 105 ASP HA H 105 3.818 3.818 4.311 -0.493 18681 485 1 . 1 1 105 105 ASP CA C 105 57.508 57.508 56.892 0.616 18681 486 1 . 1 1 105 105 ASP CB C 105 43.738 43.738 40.958 2.780 18681 487 1 . 1 1 105 105 ASP H H 105 8.212 8.212 7.841 0.371 18681 488 1 . 1 1 106 106 ARG N N 106 116.747 116.747 119.846 -3.099 18681 489 1 . 1 1 106 106 ARG HA H 106 3.804 3.804 4.114 -0.310 18681 490 1 . 1 1 106 106 ARG CA C 106 59.150 59.150 58.272 0.878 18681 491 1 . 1 1 106 106 ARG CB C 106 30.083 30.083 30.101 -0.018 18681 492 1 . 1 1 106 106 ARG H H 106 8.532 8.532 7.920 0.612 18681 493 1 . 1 1 107 107 ALA N N 107 119.388 119.388 118.914 0.474 18681 494 1 . 1 1 107 107 ALA HA H 107 4.232 4.232 4.153 0.079 18681 495 1 . 1 1 107 107 ALA CA C 107 51.407 51.407 52.716 -1.309 18681 496 1 . 1 1 107 107 ALA CB C 107 18.572 18.572 18.913 -0.340 18681 497 1 . 1 1 107 107 ALA H H 107 7.302 7.302 7.547 -0.245 18681 498 1 . 1 1 108 108 GLY N N 108 108.840 108.840 105.719 3.121 18681 499 1 . 1 1 108 108 GLY CA C 108 45.735 45.735 44.716 1.019 18681 500 1 . 1 1 108 108 GLY H H 108 7.905 7.905 7.585 0.320 18681 501 1 . 1 1 109 109 ARG N N 109 121.140 121.140 120.306 0.834 18681 502 1 . 1 1 109 109 ARG HA H 109 4.126 4.126 4.215 -0.089 18681 503 1 . 1 1 109 109 ARG CA C 109 55.361 55.361 54.920 0.441 18681 504 1 . 1 1 109 109 ARG H H 109 7.642 7.642 7.334 0.308 18681 505 1 . 1 1 110 110 PHE N N 110 119.534 119.534 120.932 -1.398 18681 506 1 . 1 1 110 110 PHE HA H 110 4.950 4.950 4.843 0.107 18681 507 1 . 1 1 110 110 PHE CA C 110 55.415 55.415 56.752 -1.337 18681 508 1 . 1 1 110 110 PHE H H 110 7.644 7.644 8.240 -0.596 18681 509 1 . 1 1 111 111 HIS N N 111 116.408 116.408 121.252 -4.844 18681 510 1 . 1 1 111 111 HIS HA H 111 4.757 4.757 4.843 -0.085 18681 511 1 . 1 1 111 111 HIS CB C 111 32.022 32.022 33.144 -1.122 18681 512 1 . 1 1 111 111 HIS H H 111 6.789 6.789 8.157 -1.368 18681 513 1 . 1 1 112 112 LYS N N 112 119.836 119.836 121.717 -1.881 18681 514 1 . 1 1 112 112 LYS HA H 112 4.059 4.059 4.041 0.018 18681 515 1 . 1 1 112 112 LYS H H 112 8.267 8.267 8.740 -0.473 18681 516 1 . 1 1 113 113 ASN N N 113 118.047 118.047 118.031 0.016 18681 517 1 . 1 1 113 113 ASN HA H 113 4.737 4.737 4.536 0.201 18681 518 1 . 1 1 113 113 ASN CB C 113 38.295 38.295 38.053 0.242 18681 519 1 . 1 1 113 113 ASN H H 113 8.831 8.831 8.383 0.448 18681 520 1 . 1 1 114 114 MET N N 114 119.081 119.081 119.381 -0.300 18681 521 1 . 1 1 114 114 MET HA H 114 4.379 4.379 4.174 0.205 18681 522 1 . 1 1 114 114 MET CA C 114 58.194 58.194 59.417 -1.223 18681 523 1 . 1 1 114 114 MET H H 114 8.520 8.520 7.978 0.542 18681 524 1 . 1 1 115 115 ILE N N 115 125.193 125.193 119.761 5.432 18681 525 1 . 1 1 115 115 ILE HA H 115 3.651 3.651 3.851 -0.200 18681 526 1 . 1 1 115 115 ILE CA C 115 66.869 66.869 64.696 2.173 18681 527 1 . 1 1 115 115 ILE CB C 115 39.162 39.162 36.995 2.167 18681 528 1 . 1 1 115 115 ILE H H 115 7.737 7.737 7.764 -0.027 18681 529 1 . 1 1 116 116 LYS N N 116 118.190 118.190 120.284 -2.093 18681 530 1 . 1 1 116 116 LYS HA H 116 4.150 4.150 4.007 0.143 18681 531 1 . 1 1 116 116 LYS CA C 116 59.379 59.379 60.033 -0.654 18681 532 1 . 1 1 116 116 LYS CB C 116 32.097 32.097 32.245 -0.149 18681 533 1 . 1 1 116 116 LYS H H 116 8.393 8.393 8.009 0.383 18681 534 1 . 1 1 117 117 SER N N 117 117.471 117.471 116.181 1.290 18681 535 1 . 1 1 117 117 SER HA H 117 4.096 4.096 4.246 -0.150 18681 536 1 . 1 1 117 117 SER CA C 117 63.167 63.167 61.884 1.283 18681 537 1 . 1 1 117 117 SER CB C 117 63.135 63.135 62.794 0.341 18681 538 1 . 1 1 117 117 SER H H 117 8.138 8.138 8.394 -0.256 18681 539 1 . 1 1 118 118 PHE N N 118 121.885 121.885 121.713 0.172 18681 540 1 . 1 1 118 118 PHE HA H 118 4.408 4.408 4.238 0.170 18681 541 1 . 1 1 118 118 PHE CA C 118 61.176 61.176 61.727 -0.551 18681 542 1 . 1 1 118 118 PHE CB C 118 38.889 38.889 38.628 0.261 18681 543 1 . 1 1 118 118 PHE H H 118 8.168 8.168 8.040 0.128 18681 544 1 . 1 1 119 119 TYR N N 119 118.356 118.356 120.410 -2.054 18681 545 1 . 1 1 119 119 TYR HA H 119 3.935 3.935 4.119 -0.184 18681 546 1 . 1 1 119 119 TYR CA C 119 62.261 62.261 62.336 -0.075 18681 547 1 . 1 1 119 119 TYR CB C 119 38.498 38.498 38.589 -0.090 18681 548 1 . 1 1 119 119 TYR H H 119 8.693 8.693 8.503 0.190 18681 549 1 . 1 1 120 120 THR N N 120 117.468 117.468 116.211 1.257 18681 550 1 . 1 1 120 120 THR HA H 120 3.705 3.705 3.895 -0.190 18681 551 1 . 1 1 120 120 THR CA C 120 67.393 67.393 67.122 0.271 18681 552 1 . 1 1 120 120 THR CB C 120 68.041 68.041 68.379 -0.338 18681 553 1 . 1 1 120 120 THR H H 120 9.582 9.582 8.461 1.121 18681 554 1 . 1 1 121 121 ALA N N 121 124.210 124.210 124.563 -0.353 18681 555 1 . 1 1 121 121 ALA HA H 121 3.940 3.940 3.974 -0.034 18681 556 1 . 1 1 121 121 ALA CA C 121 56.508 56.508 55.395 1.113 18681 557 1 . 1 1 121 121 ALA CB C 121 17.325 17.325 18.133 -0.808 18681 558 1 . 1 1 121 121 ALA H H 121 8.444 8.444 8.054 0.390 18681 559 1 . 1 1 122 122 SER N N 122 111.334 111.334 114.824 -3.490 18681 560 1 . 1 1 122 122 SER HA H 122 4.009 4.009 4.114 -0.104 18681 561 1 . 1 1 122 122 SER CA C 122 62.531 62.531 61.652 0.879 18681 562 1 . 1 1 122 122 SER CB C 122 63.051 63.051 62.978 0.073 18681 563 1 . 1 1 122 122 SER H H 122 7.724 7.724 7.873 -0.149 18681 564 1 . 1 1 123 123 LEU N N 123 122.307 122.307 123.381 -1.074 18681 565 1 . 1 1 123 123 LEU HA H 123 4.092 4.092 4.015 0.077 18681 566 1 . 1 1 123 123 LEU CA C 123 57.100 57.100 57.863 -0.763 18681 567 1 . 1 1 123 123 LEU CB C 123 41.615 41.615 41.752 -0.137 18681 568 1 . 1 1 123 123 LEU H H 123 7.507 7.507 7.636 -0.129 18681 569 1 . 1 1 124 124 LEU N N 124 117.851 117.851 120.087 -2.236 18681 570 1 . 1 1 124 124 LEU HA H 124 3.935 3.935 3.939 -0.004 18681 571 1 . 1 1 124 124 LEU CA C 124 56.967 56.967 58.171 -1.205 18681 572 1 . 1 1 124 124 LEU CB C 124 41.832 41.832 41.672 0.160 18681 573 1 . 1 1 124 124 LEU H H 124 8.457 8.457 7.948 0.509 18681 574 1 . 1 1 125 125 ILE N N 125 118.695 118.695 119.685 -0.990 18681 575 1 . 1 1 125 125 ILE HA H 125 3.718 3.718 3.521 0.197 18681 576 1 . 1 1 125 125 ILE CA C 125 65.097 65.097 65.002 0.095 18681 577 1 . 1 1 125 125 ILE CB C 125 36.775 36.775 36.938 -0.163 18681 578 1 . 1 1 125 125 ILE H H 125 7.766 7.766 7.929 -0.163 18681 579 1 . 1 1 126 126 ASP N N 126 117.428 117.428 120.331 -2.903 18681 580 1 . 1 1 126 126 ASP HA H 126 4.128 4.128 4.333 -0.205 18681 581 1 . 1 1 126 126 ASP CA C 126 57.998 57.998 57.251 0.748 18681 582 1 . 1 1 126 126 ASP CB C 126 39.372 39.372 39.981 -0.609 18681 583 1 . 1 1 126 126 ASP H H 126 7.288 7.288 7.768 -0.479 18681 584 1 . 1 1 127 127 VAL N N 127 120.003 120.003 117.694 2.309 18681 585 1 . 1 1 127 127 VAL HA H 127 2.992 2.992 3.711 -0.719 18681 586 1 . 1 1 127 127 VAL CA C 127 65.615 65.615 65.525 0.090 18681 587 1 . 1 1 127 127 VAL CB C 127 30.498 30.498 31.648 -1.150 18681 588 1 . 1 1 127 127 VAL H H 127 7.366 7.366 7.422 -0.056 18681 589 1 . 1 1 128 128 ILE N N 128 117.743 117.743 117.073 0.670 18681 590 1 . 1 1 128 128 ILE HA H 128 3.956 3.956 4.120 -0.164 18681 591 1 . 1 1 128 128 ILE CA C 128 64.219 64.219 63.759 0.460 18681 592 1 . 1 1 128 128 ILE CB C 128 37.930 37.930 38.274 -0.344 18681 593 1 . 1 1 128 128 ILE H H 128 7.727 7.727 7.496 0.231 18681 594 1 . 1 1 129 129 THR N N 129 114.535 114.535 115.230 -0.694 18681 595 1 . 1 1 129 129 THR HA H 129 4.638 4.638 4.078 0.560 18681 596 1 . 1 1 129 129 THR CA C 129 64.808 64.808 65.987 -1.179 18681 597 1 . 1 1 129 129 THR CB C 129 69.759 69.759 68.545 1.214 18681 598 1 . 1 1 129 129 THR H H 129 7.873 7.873 8.150 -0.277 18681 599 1 . 1 1 130 130 VAL N N 130 118.351 118.351 118.603 -0.252 18681 600 1 . 1 1 130 130 VAL HA H 130 4.014 4.014 3.715 0.299 18681 601 1 . 1 1 130 130 VAL CA C 130 64.220 64.220 65.078 -0.858 18681 602 1 . 1 1 130 130 VAL CB C 130 31.307 31.307 30.790 0.517 18681 603 1 . 1 1 130 130 VAL H H 130 8.381 8.381 7.638 0.743 18681 604 1 . 1 1 131 131 PHE N N 131 117.227 117.227 120.319 -3.092 18681 605 1 . 1 1 131 131 PHE HA H 131 4.567 4.567 4.391 0.176 18681 606 1 . 1 1 131 131 PHE CA C 131 57.840 57.840 59.939 -2.099 18681 607 1 . 1 1 131 131 PHE CB C 131 39.029 39.029 39.144 -0.115 18681 608 1 . 1 1 131 131 PHE H H 131 7.638 7.638 7.859 -0.221 18681 609 1 . 1 1 132 132 GLY N N 132 106.811 106.811 105.566 1.245 18681 610 1 . 1 1 132 132 GLY CA C 132 43.921 43.921 45.082 -1.161 18681 611 1 . 1 1 132 132 GLY H H 132 7.433 7.433 8.001 -0.568 18681 612 1 . 1 1 133 133 GLU N N 133 119.340 119.340 121.010 -1.670 18681 613 1 . 1 1 133 133 GLU HA H 133 4.082 4.082 4.579 -0.497 18681 614 1 . 1 1 133 133 GLU CA C 133 56.504 56.504 55.525 0.979 18681 615 1 . 1 1 133 133 GLU CB C 133 30.184 30.184 30.427 -0.243 18681 616 1 . 1 1 133 133 GLU H H 133 8.278 8.278 8.342 -0.064 18681 617 1 . 1 1 134 134 LEU N N 134 122.134 122.134 125.584 -3.450 18681 618 1 . 1 1 134 134 LEU HA H 134 4.405 4.405 4.628 -0.224 18681 619 1 . 1 1 134 134 LEU CA C 134 54.169 54.169 54.130 0.039 18681 620 1 . 1 1 134 134 LEU CB C 134 43.997 43.997 43.768 0.229 18681 621 1 . 1 1 134 134 LEU H H 134 8.410 8.410 8.390 0.020 18681 622 1 . 1 1 135 135 THR N N 135 112.032 112.032 116.469 -4.438 18681 623 1 . 1 1 135 135 THR HA H 135 4.220 4.220 4.477 -0.257 18681 624 1 . 1 1 135 135 THR CA C 135 60.449 60.449 60.318 0.131 18681 625 1 . 1 1 135 135 THR CB C 135 70.386 70.386 70.923 -0.537 18681 626 1 . 1 1 135 135 THR H H 135 8.192 8.192 8.170 0.022 18681 627 1 . 1 1 136 136 ASP N N 136 121.429 121.429 123.638 -2.209 18681 628 1 . 1 1 136 136 ASP HA H 136 4.191 4.191 4.348 -0.157 18681 629 1 . 1 1 136 136 ASP CA C 136 57.415 57.415 57.438 -0.023 18681 630 1 . 1 1 136 136 ASP CB C 136 40.518 40.518 40.797 -0.279 18681 631 1 . 1 1 136 136 ASP H H 136 8.793 8.793 8.785 0.008 18681 632 1 . 1 1 137 137 GLU N N 137 117.727 117.727 119.290 -1.563 18681 633 1 . 1 1 137 137 GLU HA H 137 3.670 3.670 3.845 -0.175 18681 634 1 . 1 1 137 137 GLU CA C 137 59.503 59.503 59.687 -0.184 18681 635 1 . 1 1 137 137 GLU CB C 137 29.175 29.175 29.174 0.002 18681 636 1 . 1 1 137 137 GLU H H 137 8.427 8.427 7.867 0.560 18681 637 1 . 1 1 138 138 ASN N N 138 118.528 118.528 117.276 1.252 18681 638 1 . 1 1 138 138 ASN HA H 138 4.488 4.488 4.406 0.082 18681 639 1 . 1 1 138 138 ASN CA C 138 55.536 55.536 56.022 -0.486 18681 640 1 . 1 1 138 138 ASN CB C 138 37.903 37.903 38.026 -0.123 18681 641 1 . 1 1 138 138 ASN H H 138 7.504 7.504 8.133 -0.629 18681 642 1 . 1 1 139 139 VAL N N 139 122.269 122.269 120.700 1.569 18681 643 1 . 1 1 139 139 VAL HA H 139 3.383 3.383 3.592 -0.209 18681 644 1 . 1 1 139 139 VAL CA C 139 67.168 67.168 66.788 0.380 18681 645 1 . 1 1 139 139 VAL CB C 139 31.765 31.765 31.277 0.488 18681 646 1 . 1 1 139 139 VAL H H 139 8.249 8.249 7.955 0.294 18681 647 1 . 1 1 140 140 LYS HA H 140 3.947 3.947 3.928 0.019 18681 648 1 . 1 1 140 140 LYS CA C 140 59.691 59.691 59.881 -0.190 18681 649 1 . 1 1 140 140 LYS CB C 140 32.044 32.044 32.098 -0.054 18681 650 1 . 1 1 140 140 LYS H H 140 7.994 7.994 8.312 -0.318 18681 651 1 . 1 1 141 141 HIS N N 141 117.389 117.389 118.438 -1.049 18681 652 1 . 1 1 141 141 HIS HA H 141 4.296 4.296 4.311 -0.015 18681 653 1 . 1 1 141 141 HIS CA C 141 57.657 57.657 59.377 -1.720 18681 654 1 . 1 1 141 141 HIS CB C 141 28.500 28.500 29.762 -1.262 18681 655 1 . 1 1 141 141 HIS H H 141 8.491 8.491 8.158 0.333 18681 656 1 . 1 1 142 142 ARG HA H 142 3.728 3.728 3.952 -0.224 18681 657 1 . 1 1 142 142 ARG CA C 142 61.356 61.356 59.956 1.400 18681 658 1 . 1 1 142 142 ARG H H 142 8.529 8.529 8.298 0.231 18681 659 1 . 1 1 143 143 LYS N N 143 117.710 117.710 118.757 -1.046 18681 660 1 . 1 1 143 143 LYS HA H 143 4.050 4.050 3.600 0.450 18681 661 1 . 1 1 143 143 LYS CA C 143 59.368 59.368 58.966 0.402 18681 662 1 . 1 1 143 143 LYS CB C 143 32.794 32.794 31.818 0.976 18681 663 1 . 1 1 143 143 LYS H H 143 7.664 7.664 7.706 -0.042 18681 664 1 . 1 1 144 144 TYR HA H 144 4.275 4.275 4.046 0.229 18681 665 1 . 1 1 144 144 TYR CA C 144 62.445 62.445 61.620 0.825 18681 666 1 . 1 1 144 144 TYR CB C 144 39.542 39.542 38.461 1.081 18681 667 1 . 1 1 144 144 TYR H H 144 8.269 8.269 8.296 -0.027 18681 668 1 . 1 1 145 145 ALA N N 145 118.744 118.744 121.163 -2.419 18681 669 1 . 1 1 145 145 ALA HA H 145 3.667 3.667 3.777 -0.110 18681 670 1 . 1 1 145 145 ALA CA C 145 54.777 54.777 55.106 -0.329 18681 671 1 . 1 1 145 145 ALA CB C 145 18.761 18.761 18.221 0.540 18681 672 1 . 1 1 145 145 ALA H H 145 8.825 8.825 8.706 0.119 18681 673 1 . 1 1 146 146 ARG N N 146 116.092 116.092 119.058 -2.966 18681 674 1 . 1 1 146 146 ARG HA H 146 3.865 3.865 4.021 -0.156 18681 675 1 . 1 1 146 146 ARG CA C 146 59.666 59.666 59.499 0.168 18681 676 1 . 1 1 146 146 ARG CB C 146 30.400 30.400 29.746 0.654 18681 677 1 . 1 1 146 146 ARG H H 146 8.024 8.024 7.950 0.074 18681 678 1 . 1 1 147 147 TRP N N 147 119.666 119.666 119.367 0.299 18681 679 1 . 1 1 147 147 TRP HA H 147 4.224 4.224 4.457 -0.233 18681 680 1 . 1 1 147 147 TRP CA C 147 60.996 60.996 58.823 2.173 18681 681 1 . 1 1 147 147 TRP CB C 147 28.593 28.593 28.584 0.009 18681 682 1 . 1 1 147 147 TRP H H 147 8.014 8.014 7.853 0.161 18681 683 1 . 1 1 148 148 LYS N N 148 118.775 118.775 119.623 -0.848 18681 684 1 . 1 1 148 148 LYS HA H 148 3.212 3.212 3.761 -0.549 18681 685 1 . 1 1 148 148 LYS CA C 148 58.399 58.399 59.092 -0.693 18681 686 1 . 1 1 148 148 LYS CB C 148 30.846 30.846 31.471 -0.625 18681 687 1 . 1 1 148 148 LYS H H 148 8.619 8.619 8.104 0.515 18681 688 1 . 1 1 149 149 ALA HA H 149 3.889 3.889 4.022 -0.133 18681 689 1 . 1 1 149 149 ALA CA C 149 55.906 55.906 55.498 0.408 18681 690 1 . 1 1 149 149 ALA CB C 149 18.443 18.443 18.254 0.189 18681 691 1 . 1 1 149 149 ALA H H 149 7.813 7.813 8.324 -0.511 18681 692 1 . 1 1 150 150 THR N N 150 112.174 112.174 116.714 -4.540 18681 693 1 . 1 1 150 150 THR HA H 150 3.721 3.721 4.094 -0.373 18681 694 1 . 1 1 150 150 THR CA C 150 66.282 66.282 67.454 -1.172 18681 695 1 . 1 1 150 150 THR CB C 150 68.853 68.853 68.942 -0.089 18681 696 1 . 1 1 150 150 THR H H 150 7.232 7.232 7.844 -0.612 18681 697 1 . 1 1 151 151 TYR N N 151 123.353 123.353 123.535 -0.182 18681 698 1 . 1 1 151 151 TYR HA H 151 4.005 4.005 4.112 -0.107 18681 699 1 . 1 1 151 151 TYR CA C 151 60.334 60.334 62.276 -1.942 18681 700 1 . 1 1 151 151 TYR CB C 151 38.246 38.246 38.233 0.013 18681 701 1 . 1 1 151 151 TYR H H 151 8.513 8.513 8.587 -0.074 18681 702 1 . 1 1 152 152 ILE N N 152 119.933 119.933 118.749 1.184 18681 703 1 . 1 1 152 152 ILE HA H 152 2.789 2.789 3.395 -0.606 18681 704 1 . 1 1 152 152 ILE CA C 152 65.885 65.885 65.800 0.085 18681 705 1 . 1 1 152 152 ILE CB C 152 38.194 38.194 37.764 0.430 18681 706 1 . 1 1 152 152 ILE H H 152 8.860 8.860 8.385 0.475 18681 707 1 . 1 1 153 153 HIS N N 153 117.221 117.221 119.534 -2.313 18681 708 1 . 1 1 153 153 HIS HA H 153 3.957 3.957 4.096 -0.139 18681 709 1 . 1 1 153 153 HIS CA C 153 60.290 60.290 60.320 -0.030 18681 710 1 . 1 1 153 153 HIS CB C 153 30.363 30.363 29.830 0.533 18681 711 1 . 1 1 153 153 HIS H H 153 7.757 7.757 8.238 -0.481 18681 712 1 . 1 1 154 154 ASN N N 154 117.429 117.429 117.819 -0.390 18681 713 1 . 1 1 154 154 ASN HA H 154 4.124 4.124 4.248 -0.124 18681 714 1 . 1 1 154 154 ASN CA C 154 55.977 55.977 55.944 0.034 18681 715 1 . 1 1 154 154 ASN CB C 154 37.579 37.579 38.463 -0.884 18681 716 1 . 1 1 154 154 ASN H H 154 8.355 8.355 8.510 -0.155 18681 717 1 . 1 1 155 155 CYS N N 155 118.306 118.306 119.075 -0.769 18681 718 1 . 1 1 155 155 CYS HA H 155 3.881 3.881 3.884 -0.003 18681 719 1 . 1 1 155 155 CYS CA C 155 64.039 64.039 63.651 0.388 18681 720 1 . 1 1 155 155 CYS CB C 155 26.124 26.124 26.692 -0.568 18681 721 1 . 1 1 155 155 CYS H H 155 8.020 8.020 7.970 0.050 18681 722 1 . 1 1 156 156 LEU N N 156 118.448 118.448 120.657 -2.209 18681 723 1 . 1 1 156 156 LEU HA H 156 3.944 3.944 3.901 0.043 18681 724 1 . 1 1 156 156 LEU CA C 156 57.844 57.844 57.719 0.125 18681 725 1 . 1 1 156 156 LEU CB C 156 40.196 40.196 41.608 -1.412 18681 726 1 . 1 1 156 156 LEU H H 156 8.139 8.139 8.259 -0.120 18681 727 1 . 1 1 157 157 LYS N N 157 120.180 120.180 120.073 0.107 18681 728 1 . 1 1 157 157 LYS HA H 157 3.896 3.896 3.917 -0.021 18681 729 1 . 1 1 157 157 LYS CA C 157 58.474 58.474 58.838 -0.364 18681 730 1 . 1 1 157 157 LYS CB C 157 31.852 31.852 32.156 -0.304 18681 731 1 . 1 1 157 157 LYS H H 157 7.912 7.912 7.896 0.016 18681 732 1 . 1 1 158 158 ASN N N 158 115.220 115.220 114.729 0.491 18681 733 1 . 1 1 158 158 ASN HA H 158 4.730 4.730 4.692 0.038 18681 734 1 . 1 1 158 158 ASN CB C 158 39.411 39.411 38.854 0.557 18681 735 1 . 1 1 158 158 ASN H H 158 7.422 7.422 7.806 -0.384 18681 736 1 . 1 1 159 159 GLY N N 159 108.815 108.815 107.515 1.300 18681 737 1 . 1 1 159 159 GLY CA C 159 46.296 46.296 45.427 0.869 18681 738 1 . 1 1 159 159 GLY H H 159 7.752 7.752 7.662 0.089 18681 739 1 . 1 1 160 160 GLU N N 160 119.601 119.601 120.234 -0.633 18681 740 1 . 1 1 160 160 GLU HA H 160 4.421 4.421 4.535 -0.114 18681 741 1 . 1 1 160 160 GLU CA C 160 54.102 54.102 54.875 -0.773 18681 742 1 . 1 1 160 160 GLU CB C 160 31.969 31.969 31.688 0.281 18681 743 1 . 1 1 160 160 GLU H H 160 8.174 8.174 8.200 -0.026 18681 744 1 . 1 1 161 161 THR N N 161 120.600 120.600 118.509 2.091 18681 745 1 . 1 1 161 161 THR HA H 161 4.341 4.341 4.352 -0.011 18681 746 1 . 1 1 161 161 THR CB C 161 69.624 69.624 68.651 0.973 18681 747 1 . 1 1 161 161 THR H H 161 8.714 8.714 8.244 0.470 18681 748 1 . 1 1 162 162 PRO HA H 162 4.277 4.277 4.373 -0.096 18681 749 1 . 1 1 162 162 PRO CA C 162 61.790 61.790 62.567 -0.777 18681 750 1 . 1 1 162 162 PRO CB C 162 31.178 31.178 32.087 -0.909 18681 stop_ save_