data_25137 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25137 _Entry.PDB_ID 2MSW 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 25137 _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 2 123.423 123.423 126.432 -3.009 25137 2 1 1 . 1 1 2 2 ALA HA H 2 4.357 4.357 4.458 -0.101 25137 3 1 1 . 1 1 2 2 ALA C C 2 177.811 177.811 177.908 -0.097 25137 4 1 1 . 1 1 2 2 ALA CA C 2 52.652 52.652 52.678 -0.026 25137 5 1 1 . 1 1 2 2 ALA CB C 2 19.488 19.488 19.130 0.358 25137 6 1 1 . 1 1 2 2 ALA H H 2 7.983 7.983 8.311 -0.328 25137 7 1 1 . 1 1 3 3 MET N N 3 119.390 119.390 117.792 1.598 25137 8 1 1 . 1 1 3 3 MET HA H 3 4.482 4.482 4.409 0.073 25137 9 1 1 . 1 1 3 3 MET C C 3 176.569 176.569 177.078 -0.509 25137 10 1 1 . 1 1 3 3 MET CA C 3 55.570 55.570 56.069 -0.499 25137 11 1 1 . 1 1 3 3 MET CB C 3 32.900 32.900 32.976 -0.076 25137 12 1 1 . 1 1 3 3 MET H H 3 8.570 8.570 8.068 0.502 25137 13 1 1 . 1 1 4 4 GLY N N 4 110.130 110.130 107.419 2.711 25137 14 1 1 . 1 1 4 4 GLY C C 4 173.630 173.630 172.789 0.841 25137 15 1 1 . 1 1 4 4 GLY CA C 4 45.270 45.270 44.684 0.586 25137 16 1 1 . 1 1 4 4 GLY H H 4 8.370 8.370 7.659 0.711 25137 17 1 1 . 1 1 5 5 MET N N 5 121.570 121.570 121.244 0.326 25137 18 1 1 . 1 1 5 5 MET HA H 5 4.780 4.780 5.168 -0.388 25137 19 1 1 . 1 1 5 5 MET CA C 5 53.630 53.630 52.260 1.370 25137 20 1 1 . 1 1 5 5 MET CB C 5 33.140 33.140 32.545 0.594 25137 21 1 1 . 1 1 5 5 MET H H 5 8.210 8.210 8.216 -0.006 25137 22 1 1 . 1 1 6 6 PRO HA H 6 4.505 4.505 4.597 -0.092 25137 23 1 1 . 1 1 6 6 PRO C C 6 174.520 174.520 175.683 -1.163 25137 24 1 1 . 1 1 6 6 PRO CA C 6 62.980 62.980 62.217 0.763 25137 25 1 1 . 1 1 6 6 PRO CB C 6 32.400 32.400 32.766 -0.366 25137 26 1 1 . 1 1 7 7 LYS N N 7 123.443 123.443 124.314 -0.871 25137 27 1 1 . 1 1 7 7 LYS HA H 7 5.000 5.000 4.631 0.369 25137 28 1 1 . 1 1 7 7 LYS C C 7 175.920 175.920 176.008 -0.088 25137 29 1 1 . 1 1 7 7 LYS CA C 7 54.911 54.911 55.260 -0.349 25137 30 1 1 . 1 1 7 7 LYS CB C 7 33.635 33.635 32.463 1.172 25137 31 1 1 . 1 1 7 7 LYS H H 7 9.675 9.675 9.216 0.459 25137 32 1 1 . 1 1 8 8 VAL N N 8 125.859 125.859 127.652 -1.793 25137 33 1 1 . 1 1 8 8 VAL HA H 8 4.723 4.723 4.983 -0.260 25137 34 1 1 . 1 1 8 8 VAL C C 8 174.630 174.630 174.283 0.347 25137 35 1 1 . 1 1 8 8 VAL CA C 8 59.726 59.726 61.182 -1.456 25137 36 1 1 . 1 1 8 8 VAL CB C 8 34.991 34.991 33.247 1.744 25137 37 1 1 . 1 1 8 8 VAL H H 8 8.851 8.851 9.097 -0.246 25137 38 1 1 . 1 1 9 9 LEU N N 9 127.114 127.114 129.383 -2.269 25137 39 1 1 . 1 1 9 9 LEU HA H 9 5.190 5.190 4.984 0.206 25137 40 1 1 . 1 1 9 9 LEU C C 9 174.090 174.090 174.589 -0.499 25137 41 1 1 . 1 1 9 9 LEU CA C 9 53.090 53.090 53.296 -0.206 25137 42 1 1 . 1 1 9 9 LEU CB C 9 45.007 45.007 44.405 0.602 25137 43 1 1 . 1 1 9 9 LEU H H 9 7.881 7.881 8.711 -0.830 25137 44 1 1 . 1 1 10 10 VAL N N 10 128.024 128.024 128.412 -0.388 25137 45 1 1 . 1 1 10 10 VAL HA H 10 4.647 4.647 4.633 0.014 25137 46 1 1 . 1 1 10 10 VAL C C 10 172.900 172.900 174.131 -1.231 25137 47 1 1 . 1 1 10 10 VAL CA C 10 61.206 61.206 61.873 -0.667 25137 48 1 1 . 1 1 10 10 VAL CB C 10 34.541 34.541 33.244 1.297 25137 49 1 1 . 1 1 10 10 VAL H H 10 8.952 8.952 9.187 -0.235 25137 50 1 1 . 1 1 11 11 LEU N N 11 128.979 128.979 130.095 -1.116 25137 51 1 1 . 1 1 11 11 LEU HA H 11 5.504 5.504 5.358 0.146 25137 52 1 1 . 1 1 11 11 LEU C C 11 174.450 174.450 175.393 -0.943 25137 53 1 1 . 1 1 11 11 LEU CA C 11 52.328 52.328 53.172 -0.844 25137 54 1 1 . 1 1 11 11 LEU CB C 11 45.000 45.000 41.477 3.522 25137 55 1 1 . 1 1 11 11 LEU H H 11 8.433 8.433 9.305 -0.872 25137 56 1 1 . 1 1 12 12 GLU N N 12 128.158 128.158 125.138 3.020 25137 57 1 1 . 1 1 12 12 GLU HA H 12 4.294 4.294 4.567 -0.273 25137 58 1 1 . 1 1 12 12 GLU C C 12 173.120 173.120 174.562 -1.442 25137 59 1 1 . 1 1 12 12 GLU CA C 12 56.964 56.964 56.223 0.741 25137 60 1 1 . 1 1 12 12 GLU CB C 12 32.201 32.201 32.930 -0.729 25137 61 1 1 . 1 1 12 12 GLU H H 12 8.532 8.532 8.470 0.062 25137 62 1 1 . 1 1 13 13 ASP N N 13 123.077 123.077 126.035 -2.958 25137 63 1 1 . 1 1 13 13 ASP HA H 13 4.659 4.659 4.575 0.084 25137 64 1 1 . 1 1 13 13 ASP C C 13 176.090 176.090 176.736 -0.646 25137 65 1 1 . 1 1 13 13 ASP CA C 13 55.140 55.140 54.782 0.358 25137 66 1 1 . 1 1 13 13 ASP CB C 13 40.524 40.524 41.610 -1.086 25137 67 1 1 . 1 1 13 13 ASP H H 13 8.803 8.803 8.763 0.040 25137 68 1 1 . 1 1 14 14 GLU N N 14 126.685 126.685 120.432 6.253 25137 69 1 1 . 1 1 14 14 GLU HA H 14 4.809 4.809 4.633 0.176 25137 70 1 1 . 1 1 14 14 GLU CA C 14 54.574 54.574 54.021 0.553 25137 71 1 1 . 1 1 14 14 GLU CB C 14 29.310 29.310 29.542 -0.232 25137 72 1 1 . 1 1 14 14 GLU H H 14 10.077 10.077 7.834 2.243 25137 73 1 1 . 1 1 15 15 PRO HA H 15 4.273 4.273 4.222 0.051 25137 74 1 1 . 1 1 15 15 PRO C C 15 179.110 179.110 178.140 0.970 25137 75 1 1 . 1 1 15 15 PRO CA C 15 65.472 65.472 65.499 -0.026 25137 76 1 1 . 1 1 15 15 PRO CB C 15 32.462 32.462 31.901 0.561 25137 77 1 1 . 1 1 16 16 LEU N N 16 118.358 118.358 118.878 -0.520 25137 78 1 1 . 1 1 16 16 LEU HA H 16 4.131 4.131 4.151 -0.020 25137 79 1 1 . 1 1 16 16 LEU C C 16 179.260 179.260 178.579 0.681 25137 80 1 1 . 1 1 16 16 LEU CA C 16 58.306 58.306 58.145 0.161 25137 81 1 1 . 1 1 16 16 LEU CB C 16 41.731 41.731 41.345 0.386 25137 82 1 1 . 1 1 16 16 LEU H H 16 8.851 8.851 8.172 0.679 25137 83 1 1 . 1 1 17 17 ILE N N 17 117.680 117.680 119.276 -1.596 25137 84 1 1 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.626 0.206 25137 85 1 1 . 1 1 17 17 ILE C C 17 178.230 178.230 178.032 0.198 25137 86 1 1 . 1 1 17 17 ILE CA C 17 63.344 63.344 65.016 -1.672 25137 87 1 1 . 1 1 17 17 ILE CB C 17 36.564 36.564 37.382 -0.818 25137 88 1 1 . 1 1 17 17 ILE H H 17 6.886 6.886 7.418 -0.532 25137 89 1 1 . 1 1 18 18 ALA N N 18 122.321 122.321 122.968 -0.647 25137 90 1 1 . 1 1 18 18 ALA HA H 18 3.720 3.720 3.987 -0.267 25137 91 1 1 . 1 1 18 18 ALA C C 18 178.900 178.900 179.397 -0.497 25137 92 1 1 . 1 1 18 18 ALA CA C 18 55.890 55.890 55.548 0.342 25137 93 1 1 . 1 1 18 18 ALA CB C 18 18.165 18.165 18.210 -0.045 25137 94 1 1 . 1 1 18 18 ALA H H 18 7.988 7.988 8.525 -0.537 25137 95 1 1 . 1 1 19 19 MET N N 19 115.807 115.807 118.450 -2.643 25137 96 1 1 . 1 1 19 19 MET HA H 19 3.999 3.999 4.012 -0.013 25137 97 1 1 . 1 1 19 19 MET C C 19 177.180 177.180 178.156 -0.976 25137 98 1 1 . 1 1 19 19 MET CA C 19 58.144 58.144 59.792 -1.648 25137 99 1 1 . 1 1 19 19 MET CB C 19 32.852 32.852 32.784 0.068 25137 100 1 1 . 1 1 19 19 MET H H 19 8.204 8.204 8.555 -0.351 25137 101 1 1 . 1 1 20 20 ASN N N 20 117.843 117.843 118.828 -0.985 25137 102 1 1 . 1 1 20 20 ASN HA H 20 4.545 4.545 4.646 -0.101 25137 103 1 1 . 1 1 20 20 ASN C C 20 179.590 179.590 178.355 1.235 25137 104 1 1 . 1 1 20 20 ASN CA C 20 56.222 56.222 56.694 -0.472 25137 105 1 1 . 1 1 20 20 ASN CB C 20 38.005 38.005 38.930 -0.925 25137 106 1 1 . 1 1 20 20 ASN H H 20 7.839 7.839 8.183 -0.344 25137 107 1 1 . 1 1 21 21 LEU N N 21 121.749 121.749 121.703 0.046 25137 108 1 1 . 1 1 21 21 LEU HA H 21 4.055 4.055 4.074 -0.019 25137 109 1 1 . 1 1 21 21 LEU C C 21 177.750 177.750 178.728 -0.978 25137 110 1 1 . 1 1 21 21 LEU CA C 21 58.268 58.268 58.498 -0.230 25137 111 1 1 . 1 1 21 21 LEU CB C 21 42.605 42.605 41.970 0.635 25137 112 1 1 . 1 1 21 21 LEU H H 21 8.601 8.601 8.927 -0.326 25137 113 1 1 . 1 1 22 22 GLN N N 22 120.991 120.991 119.599 1.392 25137 114 1 1 . 1 1 22 22 GLN HA H 22 3.935 3.935 4.023 -0.088 25137 115 1 1 . 1 1 22 22 GLN C C 22 178.070 178.070 178.589 -0.519 25137 116 1 1 . 1 1 22 22 GLN CA C 22 60.463 60.463 59.642 0.821 25137 117 1 1 . 1 1 22 22 GLN CB C 22 26.902 26.902 28.712 -1.810 25137 118 1 1 . 1 1 22 22 GLN H H 22 8.749 8.749 8.368 0.381 25137 119 1 1 . 1 1 23 23 TYR N N 23 117.446 117.446 118.845 -1.399 25137 120 1 1 . 1 1 23 23 TYR HA H 23 4.517 4.517 4.251 0.266 25137 121 1 1 . 1 1 23 23 TYR C C 23 178.210 178.210 178.296 -0.086 25137 122 1 1 . 1 1 23 23 TYR CA C 23 59.425 59.425 61.697 -2.272 25137 123 1 1 . 1 1 23 23 TYR CB C 23 36.975 36.975 38.048 -1.073 25137 124 1 1 . 1 1 23 23 TYR H H 23 8.450 8.450 8.683 -0.233 25137 125 1 1 . 1 1 24 24 ALA N N 24 121.627 121.627 122.545 -0.918 25137 126 1 1 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.015 0.085 25137 127 1 1 . 1 1 24 24 ALA C C 24 180.910 180.910 179.220 1.690 25137 128 1 1 . 1 1 24 24 ALA CA C 24 55.060 55.060 54.906 0.154 25137 129 1 1 . 1 1 24 24 ALA CB C 24 18.070 18.070 18.079 -0.009 25137 130 1 1 . 1 1 24 24 ALA H H 24 7.765 7.765 7.983 -0.218 25137 131 1 1 . 1 1 25 25 PHE N N 25 115.589 115.589 117.983 -2.394 25137 132 1 1 . 1 1 25 25 PHE HA H 25 3.940 3.940 4.107 -0.167 25137 133 1 1 . 1 1 25 25 PHE C C 25 179.090 179.090 178.571 0.519 25137 134 1 1 . 1 1 25 25 PHE CA C 25 63.453 63.453 62.554 0.899 25137 135 1 1 . 1 1 25 25 PHE CB C 25 39.484 39.484 38.861 0.623 25137 136 1 1 . 1 1 25 25 PHE H H 25 8.348 8.348 8.668 -0.320 25137 137 1 1 . 1 1 26 26 GLU N N 26 121.198 121.198 119.068 2.130 25137 138 1 1 . 1 1 26 26 GLU HA H 26 4.429 4.429 4.331 0.098 25137 139 1 1 . 1 1 26 26 GLU C C 26 181.680 181.680 178.637 3.043 25137 140 1 1 . 1 1 26 26 GLU CA C 26 59.737 59.737 58.709 1.028 25137 141 1 1 . 1 1 26 26 GLU CB C 26 28.925 28.925 29.440 -0.515 25137 142 1 1 . 1 1 26 26 GLU H H 26 8.822 8.822 8.453 0.369 25137 143 1 1 . 1 1 27 27 ASP N N 27 121.846 121.846 118.511 3.335 25137 144 1 1 . 1 1 27 27 ASP HA H 27 4.468 4.468 4.482 -0.014 25137 145 1 1 . 1 1 27 27 ASP C C 27 177.880 177.880 178.126 -0.246 25137 146 1 1 . 1 1 27 27 ASP CA C 27 56.996 56.996 56.563 0.433 25137 147 1 1 . 1 1 27 27 ASP CB C 27 40.640 40.640 41.020 -0.380 25137 148 1 1 . 1 1 27 27 ASP H H 27 8.424 8.424 7.916 0.508 25137 149 1 1 . 1 1 28 28 GLU N N 28 115.759 115.759 117.520 -1.761 25137 150 1 1 . 1 1 28 28 GLU HA H 28 4.331 4.331 4.345 -0.014 25137 151 1 1 . 1 1 28 28 GLU C C 28 176.460 176.460 176.831 -0.371 25137 152 1 1 . 1 1 28 28 GLU CA C 28 55.395 55.395 56.476 -1.081 25137 153 1 1 . 1 1 28 28 GLU CB C 28 30.264 30.264 29.900 0.364 25137 154 1 1 . 1 1 28 28 GLU H H 28 7.170 7.170 7.718 -0.548 25137 155 1 1 . 1 1 29 29 GLY N N 29 106.899 106.899 107.524 -0.625 25137 156 1 1 . 1 1 29 29 GLY C C 29 173.160 173.160 172.962 0.198 25137 157 1 1 . 1 1 29 29 GLY CA C 29 45.589 45.589 45.026 0.563 25137 158 1 1 . 1 1 29 29 GLY H H 29 7.889 7.889 7.490 0.399 25137 159 1 1 . 1 1 30 30 ALA N N 30 121.007 121.007 120.685 0.322 25137 160 1 1 . 1 1 30 30 ALA HA H 30 4.680 4.680 4.664 0.016 25137 161 1 1 . 1 1 30 30 ALA C C 30 175.880 175.880 174.958 0.922 25137 162 1 1 . 1 1 30 30 ALA CA C 30 50.666 50.666 50.951 -0.285 25137 163 1 1 . 1 1 30 30 ALA CB C 30 21.882 21.882 22.453 -0.571 25137 164 1 1 . 1 1 30 30 ALA H H 30 7.743 7.743 7.616 0.127 25137 165 1 1 . 1 1 31 31 GLU N N 31 120.065 120.065 118.697 1.368 25137 166 1 1 . 1 1 31 31 GLU HA H 31 4.664 4.664 4.716 -0.052 25137 167 1 1 . 1 1 31 31 GLU C C 31 175.430 175.430 174.651 0.779 25137 168 1 1 . 1 1 31 31 GLU CA C 31 55.136 55.136 54.081 1.055 25137 169 1 1 . 1 1 31 31 GLU CB C 31 32.126 32.126 32.258 -0.133 25137 170 1 1 . 1 1 31 31 GLU H H 31 8.595 8.595 8.542 0.053 25137 171 1 1 . 1 1 32 32 VAL N N 32 123.414 123.414 125.385 -1.971 25137 172 1 1 . 1 1 32 32 VAL HA H 32 4.787 4.787 4.793 -0.006 25137 173 1 1 . 1 1 32 32 VAL C C 32 175.290 175.290 175.287 0.003 25137 174 1 1 . 1 1 32 32 VAL CA C 32 60.802 60.802 60.476 0.326 25137 175 1 1 . 1 1 32 32 VAL CB C 32 34.991 34.991 34.293 0.698 25137 176 1 1 . 1 1 32 32 VAL H H 32 8.872 8.872 8.323 0.549 25137 177 1 1 . 1 1 33 33 VAL N N 33 128.158 128.158 127.455 0.703 25137 178 1 1 . 1 1 33 33 VAL HA H 33 4.226 4.226 4.187 0.039 25137 179 1 1 . 1 1 33 33 VAL C C 33 173.830 173.830 174.518 -0.688 25137 180 1 1 . 1 1 33 33 VAL CA C 33 60.990 60.990 60.221 0.769 25137 181 1 1 . 1 1 33 33 VAL CB C 33 33.736 33.736 32.890 0.846 25137 182 1 1 . 1 1 33 33 VAL H H 33 9.042 9.042 9.186 -0.144 25137 183 1 1 . 1 1 34 34 VAL N N 34 126.239 126.239 128.398 -2.159 25137 184 1 1 . 1 1 34 34 VAL HA H 34 4.751 4.751 4.382 0.369 25137 185 1 1 . 1 1 34 34 VAL C C 34 175.100 175.100 175.106 -0.006 25137 186 1 1 . 1 1 34 34 VAL CA C 34 61.389 61.389 61.696 -0.307 25137 187 1 1 . 1 1 34 34 VAL CB C 34 33.193 33.193 32.129 1.064 25137 188 1 1 . 1 1 34 34 VAL H H 34 8.522 8.522 8.679 -0.157 25137 189 1 1 . 1 1 35 35 ALA N N 35 129.955 129.955 130.466 -0.511 25137 190 1 1 . 1 1 35 35 ALA HA H 35 4.682 4.682 4.774 -0.092 25137 191 1 1 . 1 1 35 35 ALA C C 35 174.380 174.380 175.761 -1.381 25137 192 1 1 . 1 1 35 35 ALA CA C 35 50.154 50.154 50.572 -0.418 25137 193 1 1 . 1 1 35 35 ALA CB C 35 22.922 22.922 22.401 0.521 25137 194 1 1 . 1 1 35 35 ALA H H 35 9.388 9.388 9.091 0.297 25137 195 1 1 . 1 1 36 36 ALA N N 36 121.011 121.011 123.135 -2.124 25137 196 1 1 . 1 1 36 36 ALA HA H 36 4.632 4.632 4.465 0.167 25137 197 1 1 . 1 1 36 36 ALA C C 36 176.490 176.490 176.344 0.146 25137 198 1 1 . 1 1 36 36 ALA CA C 36 51.778 51.778 52.692 -0.914 25137 199 1 1 . 1 1 36 36 ALA CB C 36 21.506 21.506 19.426 2.080 25137 200 1 1 . 1 1 36 36 ALA H H 36 8.539 8.539 8.653 -0.114 25137 201 1 1 . 1 1 37 37 THR N N 37 102.880 102.880 107.227 -4.347 25137 202 1 1 . 1 1 37 37 THR HA H 37 4.620 4.620 4.528 0.092 25137 203 1 1 . 1 1 37 37 THR C C 37 174.710 174.710 175.500 -0.790 25137 204 1 1 . 1 1 37 37 THR CA C 37 57.520 57.520 59.347 -1.827 25137 205 1 1 . 1 1 37 37 THR CB C 37 72.972 72.972 72.323 0.649 25137 206 1 1 . 1 1 37 37 THR H H 37 7.019 7.019 7.331 -0.312 25137 207 1 1 . 1 1 38 38 CYS N N 38 120.553 120.553 121.681 -1.128 25137 208 1 1 . 1 1 38 38 CYS HA H 38 3.677 3.677 4.028 -0.351 25137 209 1 1 . 1 1 38 38 CYS C C 38 176.020 176.020 176.714 -0.694 25137 210 1 1 . 1 1 38 38 CYS CA C 38 63.179 63.179 63.559 -0.380 25137 211 1 1 . 1 1 38 38 CYS CB C 38 26.317 26.317 27.564 -1.247 25137 212 1 1 . 1 1 38 38 CYS H H 38 9.398 9.398 9.001 0.397 25137 213 1 1 . 1 1 39 39 GLU N N 39 118.521 118.521 120.204 -1.683 25137 214 1 1 . 1 1 39 39 GLU HA H 39 3.829 3.829 3.946 -0.117 25137 215 1 1 . 1 1 39 39 GLU C C 39 179.470 179.470 179.085 0.385 25137 216 1 1 . 1 1 39 39 GLU CA C 39 60.594 60.594 59.719 0.875 25137 217 1 1 . 1 1 39 39 GLU CB C 39 28.963 28.963 29.264 -0.301 25137 218 1 1 . 1 1 39 39 GLU H H 39 8.960 8.960 8.633 0.327 25137 219 1 1 . 1 1 40 40 GLN N N 40 118.602 118.602 118.884 -0.282 25137 220 1 1 . 1 1 40 40 GLN HA H 40 4.021 4.021 3.999 0.022 25137 221 1 1 . 1 1 40 40 GLN C C 40 176.211 176.211 178.375 -2.164 25137 222 1 1 . 1 1 40 40 GLN CA C 40 58.306 58.306 58.681 -0.374 25137 223 1 1 . 1 1 40 40 GLN CB C 40 28.925 28.925 28.600 0.325 25137 224 1 1 . 1 1 40 40 GLN H H 40 7.855 7.855 7.936 -0.081 25137 225 1 1 . 1 1 41 41 ALA N N 41 122.395 122.395 123.226 -0.831 25137 226 1 1 . 1 1 41 41 ALA HA H 41 3.735 3.735 4.022 -0.287 25137 227 1 1 . 1 1 41 41 ALA C C 41 178.440 178.440 179.750 -1.310 25137 228 1 1 . 1 1 41 41 ALA CA C 41 55.178 55.178 55.164 0.014 25137 229 1 1 . 1 1 41 41 ALA CB C 41 19.872 19.872 18.212 1.660 25137 230 1 1 . 1 1 41 41 ALA H H 41 8.009 8.009 7.719 0.290 25137 231 1 1 . 1 1 42 42 LEU N N 42 116.832 116.832 118.001 -1.169 25137 232 1 1 . 1 1 42 42 LEU HA H 42 3.875 3.875 3.872 0.003 25137 233 1 1 . 1 1 42 42 LEU C C 42 180.080 180.080 179.110 0.970 25137 234 1 1 . 1 1 42 42 LEU CA C 42 58.011 58.011 57.503 0.508 25137 235 1 1 . 1 1 42 42 LEU CB C 42 40.961 40.961 41.269 -0.308 25137 236 1 1 . 1 1 42 42 LEU H H 42 8.497 8.497 8.570 -0.073 25137 237 1 1 . 1 1 43 43 LYS N N 43 121.087 121.087 120.343 0.744 25137 238 1 1 . 1 1 43 43 LYS HA H 43 4.065 4.065 3.970 0.095 25137 239 1 1 . 1 1 43 43 LYS C C 43 178.500 178.500 178.979 -0.479 25137 240 1 1 . 1 1 43 43 LYS CA C 43 59.256 59.256 59.096 0.160 25137 241 1 1 . 1 1 43 43 LYS CB C 43 32.295 32.295 31.964 0.331 25137 242 1 1 . 1 1 43 43 LYS H H 43 7.593 7.593 7.869 -0.276 25137 243 1 1 . 1 1 44 44 SER N N 44 115.150 115.150 115.516 -0.366 25137 244 1 1 . 1 1 44 44 SER HA H 44 4.130 4.130 4.217 -0.087 25137 245 1 1 . 1 1 44 44 SER C C 44 176.430 176.430 176.812 -0.382 25137 246 1 1 . 1 1 44 44 SER CA C 44 62.900 62.900 61.564 1.336 25137 247 1 1 . 1 1 44 44 SER CB C 44 62.900 62.900 62.865 0.035 25137 248 1 1 . 1 1 44 44 SER H H 44 8.100 8.100 8.190 -0.090 25137 249 1 1 . 1 1 45 45 LEU N N 45 120.050 120.050 122.474 -2.424 25137 250 1 1 . 1 1 45 45 LEU HA H 45 4.121 4.121 4.010 0.111 25137 251 1 1 . 1 1 45 45 LEU C C 45 177.260 177.260 178.411 -1.151 25137 252 1 1 . 1 1 45 45 LEU CA C 45 56.770 56.770 57.767 -0.997 25137 253 1 1 . 1 1 45 45 LEU CB C 45 42.389 42.389 41.013 1.376 25137 254 1 1 . 1 1 45 45 LEU H H 45 8.050 8.050 8.419 -0.369 25137 255 1 1 . 1 1 46 46 ALA N N 46 119.940 119.940 119.406 0.534 25137 256 1 1 . 1 1 46 46 ALA HA H 46 4.093 4.093 4.152 -0.059 25137 257 1 1 . 1 1 46 46 ALA C C 46 179.310 179.310 179.054 0.256 25137 258 1 1 . 1 1 46 46 ALA CA C 46 54.126 54.126 54.026 0.100 25137 259 1 1 . 1 1 46 46 ALA CB C 46 18.412 18.412 18.752 -0.340 25137 260 1 1 . 1 1 46 46 ALA H H 46 7.360 7.360 7.479 -0.119 25137 261 1 1 . 1 1 47 47 ASP N N 47 115.277 115.277 119.457 -4.180 25137 262 1 1 . 1 1 47 47 ASP HA H 47 4.610 4.610 4.593 0.017 25137 263 1 1 . 1 1 47 47 ASP C C 47 175.930 175.930 176.545 -0.615 25137 264 1 1 . 1 1 47 47 ASP CA C 47 55.087 55.087 55.676 -0.589 25137 265 1 1 . 1 1 47 47 ASP CB C 47 42.364 42.364 41.832 0.532 25137 266 1 1 . 1 1 47 47 ASP H H 47 7.583 7.583 8.220 -0.637 25137 267 1 1 . 1 1 48 48 ASN N N 48 116.977 116.977 116.445 0.532 25137 268 1 1 . 1 1 48 48 ASN HA H 48 5.219 5.219 5.144 0.075 25137 269 1 1 . 1 1 48 48 ASN CA C 48 51.096 51.096 50.994 0.102 25137 270 1 1 . 1 1 48 48 ASN CB C 48 42.381 42.381 40.524 1.857 25137 271 1 1 . 1 1 48 48 ASN H H 48 7.727 7.727 8.323 -0.596 25137 272 1 1 . 1 1 49 49 PRO HA H 49 4.551 4.551 4.606 -0.055 25137 273 1 1 . 1 1 49 49 PRO C C 49 174.890 174.890 175.519 -0.629 25137 274 1 1 . 1 1 49 49 PRO CA C 49 62.093 62.093 62.255 -0.163 25137 275 1 1 . 1 1 49 49 PRO CB C 49 29.940 29.940 31.074 -1.134 25137 276 1 1 . 1 1 50 50 ILE N N 50 122.280 122.280 124.518 -2.238 25137 277 1 1 . 1 1 50 50 ILE HA H 50 3.908 3.908 3.890 0.018 25137 278 1 1 . 1 1 50 50 ILE C C 50 174.840 174.840 175.889 -1.049 25137 279 1 1 . 1 1 50 50 ILE CA C 50 58.580 58.580 60.831 -2.251 25137 280 1 1 . 1 1 50 50 ILE CB C 50 38.850 38.850 36.606 2.244 25137 281 1 1 . 1 1 50 50 ILE H H 50 7.420 7.420 7.832 -0.412 25137 282 1 1 . 1 1 51 51 ASP N N 51 123.770 123.770 126.941 -3.171 25137 283 1 1 . 1 1 51 51 ASP HA H 51 4.749 4.749 4.582 0.167 25137 284 1 1 . 1 1 51 51 ASP C C 51 175.114 175.114 175.991 -0.877 25137 285 1 1 . 1 1 51 51 ASP CA C 51 56.930 56.930 56.161 0.769 25137 286 1 1 . 1 1 51 51 ASP CB C 51 44.360 44.360 42.823 1.537 25137 287 1 1 . 1 1 51 51 ASP H H 51 9.310 9.310 8.668 0.642 25137 288 1 1 . 1 1 52 52 VAL N N 52 114.454 114.454 117.214 -2.760 25137 289 1 1 . 1 1 52 52 VAL HA H 52 4.874 4.874 4.695 0.179 25137 290 1 1 . 1 1 52 52 VAL C C 52 171.129 171.129 173.082 -1.953 25137 291 1 1 . 1 1 52 52 VAL CA C 52 59.850 59.850 60.391 -0.541 25137 292 1 1 . 1 1 52 52 VAL CB C 52 32.980 32.980 35.633 -2.653 25137 293 1 1 . 1 1 52 52 VAL H H 52 7.580 7.580 7.609 -0.029 25137 294 1 1 . 1 1 53 53 ALA N N 53 124.620 124.620 127.307 -2.687 25137 295 1 1 . 1 1 53 53 ALA HA H 53 5.665 5.665 5.331 0.334 25137 296 1 1 . 1 1 53 53 ALA C C 53 175.100 175.100 174.894 0.206 25137 297 1 1 . 1 1 53 53 ALA CA C 53 49.810 49.810 49.820 -0.010 25137 298 1 1 . 1 1 53 53 ALA CB C 53 25.750 25.750 22.926 2.824 25137 299 1 1 . 1 1 53 53 ALA H H 53 7.780 7.780 8.813 -1.033 25137 300 1 1 . 1 1 54 54 VAL N N 54 118.950 118.950 119.247 -0.297 25137 301 1 1 . 1 1 54 54 VAL HA H 54 4.647 4.647 5.009 -0.362 25137 302 1 1 . 1 1 54 54 VAL C C 54 174.020 174.020 173.577 0.443 25137 303 1 1 . 1 1 54 54 VAL CA C 54 61.580 61.580 60.967 0.613 25137 304 1 1 . 1 1 54 54 VAL CB C 54 34.320 34.320 35.633 -1.313 25137 305 1 1 . 1 1 54 54 VAL H H 54 8.730 8.730 8.949 -0.219 25137 306 1 1 . 1 1 55 55 LEU N N 55 124.820 124.820 129.522 -4.702 25137 307 1 1 . 1 1 55 55 LEU HA H 55 4.953 4.953 4.790 0.163 25137 308 1 1 . 1 1 55 55 LEU C C 55 176.110 176.110 175.109 1.001 25137 309 1 1 . 1 1 55 55 LEU CA C 55 53.540 53.540 53.671 -0.131 25137 310 1 1 . 1 1 55 55 LEU CB C 55 42.690 42.690 44.527 -1.837 25137 311 1 1 . 1 1 55 55 LEU H H 55 9.240 9.240 9.388 -0.148 25137 312 1 1 . 1 1 56 56 ASP N N 56 124.220 124.220 124.852 -0.632 25137 313 1 1 . 1 1 56 56 ASP HA H 56 5.629 5.629 4.836 0.793 25137 314 1 1 . 1 1 56 56 ASP C C 56 174.460 174.460 176.522 -2.062 25137 315 1 1 . 1 1 56 56 ASP CA C 56 52.930 52.930 53.672 -0.743 25137 316 1 1 . 1 1 56 56 ASP CB C 56 43.400 43.400 42.685 0.715 25137 317 1 1 . 1 1 56 56 ASP H H 56 8.360 8.360 8.795 -0.435 25137 318 1 1 . 1 1 57 57 VAL N N 57 119.581 119.581 124.265 -4.684 25137 319 1 1 . 1 1 57 57 VAL HA H 57 4.239 4.239 3.982 0.257 25137 320 1 1 . 1 1 57 57 VAL C C 57 175.480 175.480 175.564 -0.084 25137 321 1 1 . 1 1 57 57 VAL CA C 57 64.564 64.564 63.934 0.630 25137 322 1 1 . 1 1 57 57 VAL CB C 57 32.520 32.520 32.333 0.187 25137 323 1 1 . 1 1 57 57 VAL H H 57 7.022 7.022 8.341 -1.319 25137 324 1 1 . 1 1 58 58 ASN N N 58 114.490 114.490 116.743 -2.253 25137 325 1 1 . 1 1 58 58 ASN HA H 58 4.693 4.693 4.901 -0.208 25137 326 1 1 . 1 1 58 58 ASN C C 58 173.400 173.400 176.014 -2.614 25137 327 1 1 . 1 1 58 58 ASN CA C 58 53.570 53.570 51.739 1.831 25137 328 1 1 . 1 1 58 58 ASN CB C 58 38.820 38.820 37.567 1.253 25137 329 1 1 . 1 1 58 58 ASN H H 58 8.600 8.600 8.174 0.426 25137 330 1 1 . 1 1 59 59 LEU N N 59 130.670 130.670 120.080 10.590 25137 331 1 1 . 1 1 59 59 LEU HA H 59 4.647 4.647 4.197 0.450 25137 332 1 1 . 1 1 59 59 LEU C C 59 175.340 175.340 177.883 -2.543 25137 333 1 1 . 1 1 59 59 LEU CA C 59 53.550 53.550 56.392 -2.842 25137 334 1 1 . 1 1 59 59 LEU CB C 59 41.430 41.430 42.261 -0.831 25137 335 1 1 . 1 1 59 59 LEU H H 59 8.260 8.260 7.672 0.588 25137 336 1 1 . 1 1 60 60 GLY N N 60 109.030 109.030 103.007 6.023 25137 337 1 1 . 1 1 60 60 GLY CA C 60 44.610 44.610 45.060 -0.451 25137 338 1 1 . 1 1 60 60 GLY H H 60 7.860 7.860 7.812 0.048 25137 339 1 1 . 1 1 61 61 PRO HA H 61 4.385 4.385 4.297 0.088 25137 340 1 1 . 1 1 61 61 PRO C C 61 177.960 177.960 177.450 0.510 25137 341 1 1 . 1 1 61 61 PRO CA C 61 64.888 64.888 65.176 -0.288 25137 342 1 1 . 1 1 61 61 PRO CB C 61 32.070 32.070 32.464 -0.394 25137 343 1 1 . 1 1 62 62 LYS N N 62 115.984 115.984 114.706 1.278 25137 344 1 1 . 1 1 62 62 LYS HA H 62 4.524 4.524 4.447 0.077 25137 345 1 1 . 1 1 62 62 LYS C C 62 175.810 175.810 175.614 0.196 25137 346 1 1 . 1 1 62 62 LYS CA C 62 55.444 55.444 56.285 -0.841 25137 347 1 1 . 1 1 62 62 LYS CB C 62 33.216 33.216 33.322 -0.106 25137 348 1 1 . 1 1 62 62 LYS H H 62 8.625 8.625 7.959 0.666 25137 349 1 1 . 1 1 63 63 SER N N 63 113.432 113.432 115.445 -2.013 25137 350 1 1 . 1 1 63 63 SER HA H 63 4.609 4.609 4.238 0.371 25137 351 1 1 . 1 1 63 63 SER C C 63 172.560 172.560 172.791 -0.231 25137 352 1 1 . 1 1 63 63 SER CA C 63 57.715 57.715 58.501 -0.786 25137 353 1 1 . 1 1 63 63 SER CB C 63 64.866 64.866 63.489 1.377 25137 354 1 1 . 1 1 63 63 SER H H 63 7.389 7.389 7.923 -0.534 25137 355 1 1 . 1 1 64 64 HIS N N 64 122.580 122.580 117.385 5.195 25137 356 1 1 . 1 1 64 64 HIS HA H 64 5.833 5.833 5.037 0.796 25137 357 1 1 . 1 1 64 64 HIS C C 64 176.210 176.210 175.343 0.867 25137 358 1 1 . 1 1 64 64 HIS CA C 64 54.006 54.006 53.819 0.187 25137 359 1 1 . 1 1 64 64 HIS CB C 64 34.092 34.092 32.837 1.255 25137 360 1 1 . 1 1 64 64 HIS H H 64 7.762 7.762 7.611 0.151 25137 361 1 1 . 1 1 65 65 CYS N N 65 111.478 111.478 121.904 -10.426 25137 362 1 1 . 1 1 65 65 CYS HA H 65 4.342 4.342 4.499 -0.157 25137 363 1 1 . 1 1 65 65 CYS C C 65 175.881 175.881 174.699 1.182 25137 364 1 1 . 1 1 65 65 CYS CA C 65 57.980 57.980 58.204 -0.224 25137 365 1 1 . 1 1 65 65 CYS CB C 65 29.790 29.790 26.309 3.481 25137 366 1 1 . 1 1 65 65 CYS H H 65 7.946 7.946 8.230 -0.284 25137 367 1 1 . 1 1 66 66 GLY N N 66 120.340 120.340 113.217 7.123 25137 368 1 1 . 1 1 66 66 GLY CA C 66 48.880 48.880 46.133 2.747 25137 369 1 1 . 1 1 66 66 GLY H H 66 11.290 11.290 8.226 3.064 25137 370 1 1 . 1 1 67 67 PRO HA H 67 4.386 4.386 4.238 0.148 25137 371 1 1 . 1 1 67 67 PRO C C 67 179.860 179.860 178.231 1.629 25137 372 1 1 . 1 1 67 67 PRO CA C 67 65.388 65.388 65.811 -0.423 25137 373 1 1 . 1 1 67 67 PRO CB C 67 32.970 32.970 31.358 1.612 25137 374 1 1 . 1 1 68 68 VAL N N 68 116.564 116.564 117.694 -1.130 25137 375 1 1 . 1 1 68 68 VAL HA H 68 3.494 3.494 3.554 -0.060 25137 376 1 1 . 1 1 68 68 VAL C C 68 176.350 176.350 177.424 -1.074 25137 377 1 1 . 1 1 68 68 VAL CA C 68 64.839 64.839 66.260 -1.421 25137 378 1 1 . 1 1 68 68 VAL CB C 68 31.396 31.396 31.082 0.314 25137 379 1 1 . 1 1 68 68 VAL H H 68 7.471 7.471 7.993 -0.522 25137 380 1 1 . 1 1 69 69 ALA N N 69 122.825 122.825 121.828 0.997 25137 381 1 1 . 1 1 69 69 ALA HA H 69 3.085 3.085 3.267 -0.182 25137 382 1 1 . 1 1 69 69 ALA C C 69 179.280 179.280 178.826 0.454 25137 383 1 1 . 1 1 69 69 ALA CA C 69 55.209 55.209 54.793 0.416 25137 384 1 1 . 1 1 69 69 ALA CB C 69 18.141 18.141 18.195 -0.054 25137 385 1 1 . 1 1 69 69 ALA H H 69 7.880 7.880 7.894 -0.014 25137 386 1 1 . 1 1 70 70 ASP N N 70 116.269 116.269 118.817 -2.548 25137 387 1 1 . 1 1 70 70 ASP HA H 70 4.314 4.314 4.308 0.006 25137 388 1 1 . 1 1 70 70 ASP C C 70 178.300 178.300 178.065 0.235 25137 389 1 1 . 1 1 70 70 ASP CA C 70 57.530 57.530 57.589 -0.059 25137 390 1 1 . 1 1 70 70 ASP CB C 70 40.582 40.582 40.823 -0.241 25137 391 1 1 . 1 1 70 70 ASP H H 70 8.316 8.316 8.361 -0.045 25137 392 1 1 . 1 1 71 71 ALA N N 71 122.771 122.771 122.536 0.235 25137 393 1 1 . 1 1 71 71 ALA HA H 71 4.045 4.045 4.014 0.031 25137 394 1 1 . 1 1 71 71 ALA C C 71 180.700 180.700 179.845 0.855 25137 395 1 1 . 1 1 71 71 ALA CA C 71 55.062 55.062 55.095 -0.033 25137 396 1 1 . 1 1 71 71 ALA CB C 71 18.675 18.675 18.282 0.393 25137 397 1 1 . 1 1 71 71 ALA H H 71 7.156 7.156 7.843 -0.687 25137 398 1 1 . 1 1 72 72 LEU N N 72 119.021 119.021 117.987 1.034 25137 399 1 1 . 1 1 72 72 LEU HA H 72 3.824 3.824 3.790 0.034 25137 400 1 1 . 1 1 72 72 LEU C C 72 179.560 179.560 179.270 0.290 25137 401 1 1 . 1 1 72 72 LEU CA C 72 58.351 58.351 57.614 0.737 25137 402 1 1 . 1 1 72 72 LEU CB C 72 40.437 40.437 41.241 -0.804 25137 403 1 1 . 1 1 72 72 LEU H H 72 8.250 8.250 8.107 0.143 25137 404 1 1 . 1 1 73 73 LYS N N 73 120.087 120.087 118.955 1.132 25137 405 1 1 . 1 1 73 73 LYS HA H 73 4.431 4.431 4.146 0.285 25137 406 1 1 . 1 1 73 73 LYS C C 73 181.310 181.310 179.693 1.617 25137 407 1 1 . 1 1 73 73 LYS CA C 73 59.307 59.307 58.826 0.481 25137 408 1 1 . 1 1 73 73 LYS CB C 73 32.404 32.404 31.820 0.584 25137 409 1 1 . 1 1 73 73 LYS H H 73 8.383 8.383 8.226 0.157 25137 410 1 1 . 1 1 74 74 GLN N N 74 118.982 118.982 118.351 0.631 25137 411 1 1 . 1 1 74 74 GLN HA H 74 4.074 4.074 4.107 -0.033 25137 412 1 1 . 1 1 74 74 GLN C C 74 177.620 177.620 178.086 -0.466 25137 413 1 1 . 1 1 74 74 GLN CA C 74 58.834 58.834 58.427 0.407 25137 414 1 1 . 1 1 74 74 GLN CB C 74 28.505 28.505 28.873 -0.368 25137 415 1 1 . 1 1 74 74 GLN H H 74 8.015 8.015 8.271 -0.256 25137 416 1 1 . 1 1 75 75 ARG N N 75 116.770 116.770 116.036 0.734 25137 417 1 1 . 1 1 75 75 ARG HA H 75 4.272 4.272 4.374 -0.102 25137 418 1 1 . 1 1 75 75 ARG C C 75 174.310 174.310 175.141 -0.831 25137 419 1 1 . 1 1 75 75 ARG CA C 75 55.950 55.950 55.596 0.354 25137 420 1 1 . 1 1 75 75 ARG CB C 75 31.780 31.780 30.384 1.396 25137 421 1 1 . 1 1 75 75 ARG H H 75 7.240 7.240 7.639 -0.399 25137 422 1 1 . 1 1 76 76 ALA N N 76 122.020 122.020 120.370 1.650 25137 423 1 1 . 1 1 76 76 ALA HA H 76 4.050 4.050 4.089 -0.039 25137 424 1 1 . 1 1 76 76 ALA C C 76 176.240 176.240 177.372 -1.132 25137 425 1 1 . 1 1 76 76 ALA CA C 76 53.170 53.170 52.909 0.261 25137 426 1 1 . 1 1 76 76 ALA CB C 76 16.650 16.650 17.258 -0.608 25137 427 1 1 . 1 1 76 76 ALA H H 76 8.065 8.065 7.329 0.736 25137 428 1 1 . 1 1 77 77 ILE N N 77 122.300 122.300 120.112 2.188 25137 429 1 1 . 1 1 77 77 ILE HA H 77 4.502 4.502 4.243 0.259 25137 430 1 1 . 1 1 77 77 ILE CA C 77 58.610 58.610 59.068 -0.458 25137 431 1 1 . 1 1 77 77 ILE CB C 77 40.000 40.000 38.915 1.085 25137 432 1 1 . 1 1 77 77 ILE H H 77 8.080 8.080 8.060 0.020 25137 433 1 1 . 1 1 78 78 PRO HA H 78 4.454 4.454 4.568 -0.114 25137 434 1 1 . 1 1 78 78 PRO C C 78 174.680 174.680 175.511 -0.831 25137 435 1 1 . 1 1 78 78 PRO CA C 78 62.622 62.622 62.768 -0.146 25137 436 1 1 . 1 1 78 78 PRO CB C 78 32.772 32.772 32.237 0.535 25137 437 1 1 . 1 1 79 79 PHE N N 79 109.800 109.800 116.018 -6.218 25137 438 1 1 . 1 1 79 79 PHE HA H 79 5.656 5.656 5.574 0.082 25137 439 1 1 . 1 1 79 79 PHE C C 79 172.780 172.780 173.558 -0.778 25137 440 1 1 . 1 1 79 79 PHE CA C 79 55.612 55.612 55.852 -0.240 25137 441 1 1 . 1 1 79 79 PHE CB C 79 42.181 42.181 42.286 -0.105 25137 442 1 1 . 1 1 79 79 PHE H H 79 7.463 7.463 7.971 -0.508 25137 443 1 1 . 1 1 80 80 ILE N N 80 114.746 114.746 120.342 -5.596 25137 444 1 1 . 1 1 80 80 ILE HA H 80 4.545 4.545 4.714 -0.169 25137 445 1 1 . 1 1 80 80 ILE C C 80 174.750 174.750 175.293 -0.543 25137 446 1 1 . 1 1 80 80 ILE CA C 80 58.914 58.914 59.621 -0.707 25137 447 1 1 . 1 1 80 80 ILE CB C 80 43.079 43.079 42.268 0.811 25137 448 1 1 . 1 1 80 80 ILE H H 80 8.024 8.024 8.371 -0.347 25137 449 1 1 . 1 1 81 81 LEU N N 81 124.450 124.450 127.164 -2.714 25137 450 1 1 . 1 1 81 81 LEU HA H 81 5.470 5.470 5.075 0.395 25137 451 1 1 . 1 1 81 81 LEU C C 81 175.620 175.620 176.332 -0.712 25137 452 1 1 . 1 1 81 81 LEU CA C 81 53.345 53.345 53.419 -0.074 25137 453 1 1 . 1 1 81 81 LEU CB C 81 43.304 43.304 40.003 3.301 25137 454 1 1 . 1 1 81 81 LEU H H 81 8.935 8.935 8.997 -0.062 25137 455 1 1 . 1 1 82 82 HIS N N 82 126.167 126.167 126.236 -0.069 25137 456 1 1 . 1 1 82 82 HIS HA H 82 5.880 5.880 5.362 0.518 25137 457 1 1 . 1 1 82 82 HIS C C 82 172.730 172.730 174.671 -1.941 25137 458 1 1 . 1 1 82 82 HIS CA C 82 52.947 52.947 53.828 -0.881 25137 459 1 1 . 1 1 82 82 HIS CB C 82 31.171 31.171 29.873 1.298 25137 460 1 1 . 1 1 82 82 HIS H H 82 8.828 8.828 8.744 0.084 25137 461 1 1 . 1 1 83 83 THR N N 83 114.001 114.001 119.593 -5.592 25137 462 1 1 . 1 1 83 83 THR HA H 83 5.305 5.305 5.223 0.082 25137 463 1 1 . 1 1 83 83 THR C C 83 172.800 172.800 174.470 -1.670 25137 464 1 1 . 1 1 83 83 THR CA C 83 58.807 58.807 59.074 -0.267 25137 465 1 1 . 1 1 83 83 THR CB C 83 69.366 69.366 70.724 -1.358 25137 466 1 1 . 1 1 83 83 THR H H 83 7.252 7.252 7.754 -0.502 25137 467 1 1 . 1 1 84 84 GLY N N 84 115.666 115.666 111.597 4.069 25137 468 1 1 . 1 1 84 84 GLY C C 84 173.764 173.764 173.972 -0.208 25137 469 1 1 . 1 1 84 84 GLY CA C 84 45.284 45.284 44.812 0.472 25137 470 1 1 . 1 1 84 84 GLY H H 84 8.483 8.483 8.933 -0.450 25137 471 1 1 . 1 1 85 85 ASP N N 85 123.490 123.490 121.067 2.423 25137 472 1 1 . 1 1 85 85 ASP HA H 85 4.982 4.982 5.025 -0.043 25137 473 1 1 . 1 1 85 85 ASP C C 85 175.829 175.829 175.611 0.218 25137 474 1 1 . 1 1 85 85 ASP CA C 85 53.420 53.420 53.982 -0.562 25137 475 1 1 . 1 1 85 85 ASP CB C 85 41.560 41.560 43.364 -1.804 25137 476 1 1 . 1 1 85 85 ASP H H 85 8.510 8.510 7.957 0.553 25137 477 1 1 . 1 1 86 86 LEU N N 86 122.010 122.010 124.623 -2.613 25137 478 1 1 . 1 1 86 86 LEU HA H 86 3.997 3.997 4.439 -0.442 25137 479 1 1 . 1 1 86 86 LEU C C 86 178.242 178.242 178.006 0.236 25137 480 1 1 . 1 1 86 86 LEU CA C 86 57.410 57.410 57.318 0.092 25137 481 1 1 . 1 1 86 86 LEU CB C 86 42.000 42.000 42.572 -0.572 25137 482 1 1 . 1 1 86 86 LEU H H 86 8.210 8.210 8.601 -0.391 25137 483 1 1 . 1 1 87 87 ASP N N 87 117.260 117.260 119.601 -2.341 25137 484 1 1 . 1 1 87 87 ASP HA H 87 4.535 4.535 4.404 0.131 25137 485 1 1 . 1 1 87 87 ASP C C 87 178.351 178.351 178.559 -0.208 25137 486 1 1 . 1 1 87 87 ASP CA C 87 56.010 56.010 56.730 -0.720 25137 487 1 1 . 1 1 87 87 ASP CB C 87 41.400 41.400 40.636 0.764 25137 488 1 1 . 1 1 87 87 ASP H H 87 8.290 8.290 8.633 -0.343 25137 489 1 1 . 1 1 88 88 ARG N N 88 120.750 120.750 117.847 2.903 25137 490 1 1 . 1 1 88 88 ARG HA H 88 4.015 4.015 4.057 -0.042 25137 491 1 1 . 1 1 88 88 ARG C C 88 177.300 177.300 176.786 0.514 25137 492 1 1 . 1 1 88 88 ARG CA C 88 58.340 58.340 57.424 0.916 25137 493 1 1 . 1 1 88 88 ARG CB C 88 30.460 30.460 30.078 0.382 25137 494 1 1 . 1 1 88 88 ARG H H 88 8.040 8.040 8.460 -0.420 25137 495 1 1 . 1 1 89 89 HIS N N 89 115.580 115.580 115.614 -0.034 25137 496 1 1 . 1 1 89 89 HIS HA H 89 5.026 5.026 4.810 0.216 25137 497 1 1 . 1 1 89 89 HIS C C 89 175.670 175.670 175.201 0.469 25137 498 1 1 . 1 1 89 89 HIS CA C 89 55.300 55.300 55.316 -0.016 25137 499 1 1 . 1 1 89 89 HIS CB C 89 29.890 29.890 31.428 -1.538 25137 500 1 1 . 1 1 89 89 HIS H H 89 7.900 7.900 7.821 0.079 25137 501 1 1 . 1 1 90 90 GLY N N 90 108.320 108.320 108.833 -0.513 25137 502 1 1 . 1 1 90 90 GLY C C 90 175.880 175.880 175.230 0.650 25137 503 1 1 . 1 1 90 90 GLY CA C 90 48.310 48.310 47.316 0.994 25137 504 1 1 . 1 1 90 90 GLY H H 90 7.790 7.790 7.749 0.041 25137 505 1 1 . 1 1 91 91 GLU N N 91 120.490 120.490 120.666 -0.176 25137 506 1 1 . 1 1 91 91 GLU HA H 91 4.043 4.043 3.968 0.075 25137 507 1 1 . 1 1 91 91 GLU C C 91 178.410 178.410 178.463 -0.053 25137 508 1 1 . 1 1 91 91 GLU CA C 91 59.200 59.200 58.603 0.597 25137 509 1 1 . 1 1 91 91 GLU CB C 91 29.240 29.240 28.384 0.856 25137 510 1 1 . 1 1 91 91 GLU H H 91 8.580 8.580 8.267 0.313 25137 511 1 1 . 1 1 92 92 LEU N N 92 121.740 121.740 121.592 0.148 25137 512 1 1 . 1 1 92 92 LEU HA H 92 4.048 4.048 4.022 0.026 25137 513 1 1 . 1 1 92 92 LEU C C 92 178.630 178.630 178.529 0.101 25137 514 1 1 . 1 1 92 92 LEU CA C 92 57.690 57.690 57.653 0.037 25137 515 1 1 . 1 1 92 92 LEU CB C 92 41.820 41.820 41.846 -0.026 25137 516 1 1 . 1 1 92 92 LEU H H 92 7.690 7.690 7.726 -0.036 25137 517 1 1 . 1 1 93 93 LEU N N 93 117.310 117.310 118.665 -1.355 25137 518 1 1 . 1 1 93 93 LEU HA H 93 3.881 3.881 3.840 0.041 25137 519 1 1 . 1 1 93 93 LEU C C 93 174.967 174.967 178.904 -3.937 25137 520 1 1 . 1 1 93 93 LEU CA C 93 57.940 57.940 58.357 -0.417 25137 521 1 1 . 1 1 93 93 LEU CB C 93 40.640 40.640 41.198 -0.558 25137 522 1 1 . 1 1 93 93 LEU H H 93 8.160 8.160 8.362 -0.202 25137 523 1 1 . 1 1 94 94 ARG N N 94 117.940 117.940 117.844 0.096 25137 524 1 1 . 1 1 94 94 ARG HA H 94 4.120 4.120 4.145 -0.025 25137 525 1 1 . 1 1 94 94 ARG C C 94 177.870 177.870 177.643 0.227 25137 526 1 1 . 1 1 94 94 ARG CA C 94 58.450 58.450 58.766 -0.316 25137 527 1 1 . 1 1 94 94 ARG CB C 94 30.370 30.370 29.806 0.564 25137 528 1 1 . 1 1 94 94 ARG H H 94 7.770 7.770 8.221 -0.451 25137 529 1 1 . 1 1 95 95 LYS N N 95 118.380 118.380 117.992 0.388 25137 530 1 1 . 1 1 95 95 LYS HA H 95 4.160 4.160 4.190 -0.030 25137 531 1 1 . 1 1 95 95 LYS C C 95 177.730 177.730 178.237 -0.507 25137 532 1 1 . 1 1 95 95 LYS CA C 95 57.600 57.600 58.373 -0.773 25137 533 1 1 . 1 1 95 95 LYS CB C 95 32.770 32.770 32.998 -0.228 25137 534 1 1 . 1 1 95 95 LYS H H 95 7.640 7.640 7.505 0.135 25137 535 1 1 . 1 1 96 96 ILE N N 96 120.160 120.160 118.475 1.685 25137 536 1 1 . 1 1 96 96 ILE HA H 96 3.781 3.781 3.887 -0.106 25137 537 1 1 . 1 1 96 96 ILE C C 96 175.840 175.840 175.575 0.265 25137 538 1 1 . 1 1 96 96 ILE CA C 96 63.720 63.720 64.132 -0.412 25137 539 1 1 . 1 1 96 96 ILE CB C 96 38.670 38.670 38.762 -0.092 25137 540 1 1 . 1 1 96 96 ILE H H 96 7.980 7.980 7.816 0.164 25137 541 1 1 . 1 1 97 97 ASP N N 97 120.510 120.510 119.114 1.396 25137 542 1 1 . 1 1 97 97 ASP HA H 97 4.380 4.380 4.218 0.162 25137 543 1 1 . 1 1 97 97 ASP C C 97 173.580 173.580 173.839 -0.259 25137 544 1 1 . 1 1 97 97 ASP CA C 97 54.300 54.300 55.154 -0.854 25137 545 1 1 . 1 1 97 97 ASP CB C 97 39.490 39.490 40.275 -0.784 25137 546 1 1 . 1 1 97 97 ASP H H 97 8.160 8.160 8.286 -0.126 25137 547 1 1 . 1 1 98 98 ALA N N 98 123.800 123.800 123.923 -0.123 25137 548 1 1 . 1 1 98 98 ALA HA H 98 4.550 4.550 4.687 -0.137 25137 549 1 1 . 1 1 98 98 ALA CA C 98 49.860 49.860 50.646 -0.786 25137 550 1 1 . 1 1 98 98 ALA CB C 98 21.070 21.070 20.502 0.568 25137 551 1 1 . 1 1 98 98 ALA H H 98 7.680 7.680 8.033 -0.353 25137 552 1 1 . 1 1 99 99 PRO HA H 99 4.370 4.370 4.509 -0.139 25137 553 1 1 . 1 1 99 99 PRO C C 99 174.760 174.760 175.602 -0.842 25137 554 1 1 . 1 1 99 99 PRO CA C 99 62.950 62.950 62.953 -0.003 25137 555 1 1 . 1 1 99 99 PRO CB C 99 32.310 32.310 32.046 0.264 25137 556 1 1 . 1 1 100 100 VAL N N 100 120.490 120.490 119.610 0.880 25137 557 1 1 . 1 1 100 100 VAL HA H 100 4.832 4.832 4.705 0.127 25137 558 1 1 . 1 1 100 100 VAL C C 100 176.650 176.650 174.569 2.081 25137 559 1 1 . 1 1 100 100 VAL CA C 100 60.450 60.450 60.501 -0.051 25137 560 1 1 . 1 1 100 100 VAL CB C 100 34.830 34.830 35.907 -1.077 25137 561 1 1 . 1 1 100 100 VAL H H 100 8.270 8.270 8.092 0.178 25137 562 1 1 . 1 1 101 101 MET N N 101 127.420 127.420 124.688 2.732 25137 563 1 1 . 1 1 101 101 MET HA H 101 4.705 4.705 4.760 -0.055 25137 564 1 1 . 1 1 101 101 MET C C 101 174.490 174.490 175.212 -0.722 25137 565 1 1 . 1 1 101 101 MET CA C 101 54.730 54.730 53.647 1.083 25137 566 1 1 . 1 1 101 101 MET CB C 101 34.560 34.560 33.519 1.042 25137 567 1 1 . 1 1 101 101 MET H H 101 9.240 9.240 9.159 0.081 25137 568 1 1 . 1 1 102 102 ALA N N 102 128.590 128.590 128.328 0.262 25137 569 1 1 . 1 1 102 102 ALA HA H 102 4.608 4.608 5.038 -0.430 25137 570 1 1 . 1 1 102 102 ALA C C 102 177.935 177.935 177.497 0.438 25137 571 1 1 . 1 1 102 102 ALA CA C 102 51.930 51.930 51.526 0.404 25137 572 1 1 . 1 1 102 102 ALA CB C 102 19.040 19.040 20.017 -0.977 25137 573 1 1 . 1 1 102 102 ALA H H 102 8.760 8.760 8.532 0.228 25137 574 1 1 . 1 1 103 103 LYS N N 103 120.200 120.200 123.522 -3.322 25137 575 1 1 . 1 1 103 103 LYS HA H 103 4.284 4.284 4.924 -0.640 25137 576 1 1 . 1 1 103 103 LYS CA C 103 54.370 54.370 54.420 -0.051 25137 577 1 1 . 1 1 103 103 LYS CB C 103 34.190 34.190 32.227 1.963 25137 578 1 1 . 1 1 103 103 LYS H H 103 7.300 7.300 8.034 -0.734 25137 579 1 1 . 1 1 104 104 PRO HA H 104 4.611 4.611 4.522 0.089 25137 580 1 1 . 1 1 104 104 PRO C C 104 174.980 174.980 175.834 -0.854 25137 581 1 1 . 1 1 104 104 PRO CA C 104 62.626 62.626 62.707 -0.081 25137 582 1 1 . 1 1 104 104 PRO CB C 104 33.867 33.867 32.326 1.541 25137 583 1 1 . 1 1 105 105 ALA N N 105 125.082 125.082 124.516 0.566 25137 584 1 1 . 1 1 105 105 ALA HA H 105 4.576 4.576 4.473 0.103 25137 585 1 1 . 1 1 105 105 ALA C C 105 176.890 176.890 175.744 1.146 25137 586 1 1 . 1 1 105 105 ALA CA C 105 51.177 51.177 51.198 -0.021 25137 587 1 1 . 1 1 105 105 ALA CB C 105 21.735 21.735 21.617 0.118 25137 588 1 1 . 1 1 105 105 ALA H H 105 8.668 8.668 8.074 0.594 25137 589 1 1 . 1 1 106 106 ASP N N 106 122.306 122.306 123.294 -0.988 25137 590 1 1 . 1 1 106 106 ASP HA H 106 4.636 4.636 4.646 -0.010 25137 591 1 1 . 1 1 106 106 ASP C C 106 178.383 178.383 177.781 0.602 25137 592 1 1 . 1 1 106 106 ASP CA C 106 54.312 54.312 54.258 0.054 25137 593 1 1 . 1 1 106 106 ASP CB C 106 41.260 41.260 42.436 -1.176 25137 594 1 1 . 1 1 106 106 ASP H H 106 8.867 8.867 8.566 0.301 25137 595 1 1 . 1 1 107 107 THR N N 107 119.540 119.540 116.670 2.870 25137 596 1 1 . 1 1 107 107 THR HA H 107 3.573 3.573 3.985 -0.412 25137 597 1 1 . 1 1 107 107 THR C C 107 176.393 176.393 176.607 -0.214 25137 598 1 1 . 1 1 107 107 THR CA C 107 65.940 65.940 64.678 1.262 25137 599 1 1 . 1 1 107 107 THR CB C 107 68.191 68.191 68.850 -0.659 25137 600 1 1 . 1 1 107 107 THR H H 107 8.658 8.658 8.478 0.180 25137 601 1 1 . 1 1 108 108 SER N N 108 117.095 117.095 116.846 0.249 25137 602 1 1 . 1 1 108 108 SER HA H 108 4.140 4.140 4.032 0.108 25137 603 1 1 . 1 1 108 108 SER C C 108 176.143 176.143 175.994 0.149 25137 604 1 1 . 1 1 108 108 SER CA C 108 61.650 61.650 62.243 -0.593 25137 605 1 1 . 1 1 108 108 SER CB C 108 62.450 62.450 62.474 -0.024 25137 606 1 1 . 1 1 108 108 SER H H 108 8.480 8.480 8.917 -0.437 25137 607 1 1 . 1 1 109 109 ASP N N 109 122.520 122.520 123.659 -1.139 25137 608 1 1 . 1 1 109 109 ASP HA H 109 4.400 4.400 4.426 -0.026 25137 609 1 1 . 1 1 109 109 ASP C C 109 178.499 178.499 178.690 -0.191 25137 610 1 1 . 1 1 109 109 ASP CA C 109 56.990 56.990 57.207 -0.217 25137 611 1 1 . 1 1 109 109 ASP CB C 109 40.560 40.560 40.576 -0.016 25137 612 1 1 . 1 1 109 109 ASP H H 109 7.350 7.350 7.667 -0.317 25137 613 1 1 . 1 1 110 110 VAL N N 110 120.210 120.210 119.764 0.446 25137 614 1 1 . 1 1 110 110 VAL HA H 110 3.262 3.262 3.523 -0.261 25137 615 1 1 . 1 1 110 110 VAL C C 110 176.535 176.535 177.756 -1.221 25137 616 1 1 . 1 1 110 110 VAL CA C 110 66.090 66.090 66.074 0.016 25137 617 1 1 . 1 1 110 110 VAL CB C 110 31.400 31.400 31.338 0.062 25137 618 1 1 . 1 1 110 110 VAL H H 110 7.440 7.440 7.752 -0.312 25137 619 1 1 . 1 1 111 111 ALA N N 111 118.790 118.790 121.722 -2.932 25137 620 1 1 . 1 1 111 111 ALA HA H 111 3.264 3.264 2.849 0.415 25137 621 1 1 . 1 1 111 111 ALA C C 111 179.030 179.030 179.065 -0.035 25137 622 1 1 . 1 1 111 111 ALA CA C 111 54.590 54.590 54.647 -0.057 25137 623 1 1 . 1 1 111 111 ALA CB C 111 16.480 16.480 17.478 -0.998 25137 624 1 1 . 1 1 111 111 ALA H H 111 7.610 7.610 7.746 -0.136 25137 625 1 1 . 1 1 112 112 LYS N N 112 115.540 115.540 118.892 -3.352 25137 626 1 1 . 1 1 112 112 LYS HA H 112 3.750 3.750 3.875 -0.125 25137 627 1 1 . 1 1 112 112 LYS C C 112 179.470 179.470 179.193 0.277 25137 628 1 1 . 1 1 112 112 LYS CA C 112 60.020 60.020 59.840 0.180 25137 629 1 1 . 1 1 112 112 LYS CB C 112 32.680 32.680 32.267 0.414 25137 630 1 1 . 1 1 112 112 LYS H H 112 7.840 7.840 8.186 -0.346 25137 631 1 1 . 1 1 113 113 ARG N N 113 118.590 118.590 117.915 0.675 25137 632 1 1 . 1 1 113 113 ARG HA H 113 4.021 4.021 4.085 -0.064 25137 633 1 1 . 1 1 113 113 ARG C C 113 179.120 179.120 178.671 0.449 25137 634 1 1 . 1 1 113 113 ARG CA C 113 58.180 58.180 58.252 -0.072 25137 635 1 1 . 1 1 113 113 ARG CB C 113 29.530 29.530 29.436 0.094 25137 636 1 1 . 1 1 113 113 ARG H H 113 7.860 7.860 7.801 0.059 25137 637 1 1 . 1 1 114 114 ALA N N 114 120.520 120.520 122.421 -1.901 25137 638 1 1 . 1 1 114 114 ALA HA H 114 4.046 4.046 4.202 -0.156 25137 639 1 1 . 1 1 114 114 ALA C C 114 179.280 179.280 179.710 -0.430 25137 640 1 1 . 1 1 114 114 ALA CA C 114 55.070 55.070 54.915 0.155 25137 641 1 1 . 1 1 114 114 ALA CB C 114 17.920 17.920 18.737 -0.817 25137 642 1 1 . 1 1 114 114 ALA H H 114 8.190 8.190 7.446 0.744 25137 643 1 1 . 1 1 115 115 LEU N N 115 115.820 115.820 117.920 -2.100 25137 644 1 1 . 1 1 115 115 LEU HA H 115 4.225 4.225 4.067 0.158 25137 645 1 1 . 1 1 115 115 LEU C C 115 180.490 180.490 179.239 1.251 25137 646 1 1 . 1 1 115 115 LEU CA C 115 57.600 57.600 57.480 0.120 25137 647 1 1 . 1 1 115 115 LEU CB C 115 40.590 40.590 41.561 -0.971 25137 648 1 1 . 1 1 115 115 LEU H H 115 8.320 8.320 8.452 -0.132 25137 649 1 1 . 1 1 116 116 GLU N N 116 119.789 119.789 118.457 1.332 25137 650 1 1 . 1 1 116 116 GLU HA H 116 4.109 4.109 4.101 0.008 25137 651 1 1 . 1 1 116 116 GLU C C 116 178.790 178.790 178.074 0.716 25137 652 1 1 . 1 1 116 116 GLU CA C 116 58.625 58.625 58.981 -0.356 25137 653 1 1 . 1 1 116 116 GLU CB C 116 29.548 29.548 29.380 0.168 25137 654 1 1 . 1 1 116 116 GLU H H 116 7.904 7.904 8.448 -0.544 25137 655 1 1 . 1 1 117 117 MET N N 117 116.426 116.426 116.418 0.008 25137 656 1 1 . 1 1 117 117 MET HA H 117 4.245 4.245 4.338 -0.093 25137 657 1 1 . 1 1 117 117 MET C C 117 176.890 176.890 177.610 -0.720 25137 658 1 1 . 1 1 117 117 MET CA C 117 57.638 57.638 57.029 0.609 25137 659 1 1 . 1 1 117 117 MET CB C 117 33.467 33.467 32.844 0.622 25137 660 1 1 . 1 1 117 117 MET H H 117 7.712 7.712 7.489 0.223 25137 661 1 1 . 1 1 118 118 CYS N N 118 113.993 113.993 119.876 -5.883 25137 662 1 1 . 1 1 118 118 CYS HA H 118 4.699 4.699 4.518 0.181 25137 663 1 1 . 1 1 118 118 CYS C C 118 174.750 174.750 175.808 -1.058 25137 664 1 1 . 1 1 118 118 CYS CA C 118 58.541 58.541 58.645 -0.104 25137 665 1 1 . 1 1 118 118 CYS CB C 118 28.552 28.552 30.028 -1.476 25137 666 1 1 . 1 1 118 118 CYS H H 118 7.428 7.428 7.337 0.091 25137 667 1 1 . 1 1 119 119 GLY N N 119 109.823 109.823 106.660 3.163 25137 668 1 1 . 1 1 119 119 GLY C C 119 174.660 174.660 172.649 2.011 25137 669 1 1 . 1 1 119 119 GLY CA C 119 45.709 45.709 44.968 0.741 25137 670 1 1 . 1 1 119 119 GLY H H 119 8.056 8.056 8.020 0.036 25137 671 1 1 . 1 1 120 120 GLY N N 120 108.821 108.821 109.681 -0.860 25137 672 1 1 . 1 1 120 120 GLY C C 120 173.790 173.790 172.902 0.888 25137 673 1 1 . 1 1 120 120 GLY CA C 120 45.326 45.326 46.103 -0.777 25137 674 1 1 . 1 1 120 120 GLY H H 120 8.301 8.301 8.749 -0.448 25137 675 1 1 . 1 1 121 121 ASP N N 121 120.383 120.383 120.786 -0.403 25137 676 1 1 . 1 1 121 121 ASP HA H 121 4.591 4.591 4.707 -0.116 25137 677 1 1 . 1 1 121 121 ASP C C 121 176.160 176.160 175.420 0.740 25137 678 1 1 . 1 1 121 121 ASP CA C 121 54.313 54.313 54.188 0.125 25137 679 1 1 . 1 1 121 121 ASP CB C 121 41.079 41.079 41.199 -0.120 25137 680 1 1 . 1 1 121 121 ASP H H 121 8.438 8.438 8.069 0.369 25137 681 1 1 . 1 1 122 122 LYS N N 122 121.450 121.450 124.074 -2.624 25137 682 1 1 . 1 1 122 122 LYS HA H 122 4.350 4.350 4.047 0.303 25137 683 1 1 . 1 1 122 122 LYS C C 122 177.184 177.184 175.194 1.990 25137 684 1 1 . 1 1 122 122 LYS CA C 122 55.890 55.890 56.554 -0.664 25137 685 1 1 . 1 1 122 122 LYS CB C 122 33.190 33.190 33.053 0.137 25137 686 1 1 . 1 1 122 122 LYS H H 122 8.258 8.258 8.364 -0.106 25137 687 1 1 . 1 1 123 123 GLU N N 123 123.560 123.560 123.696 -0.136 25137 688 1 1 . 1 1 123 123 GLU HA H 123 4.550 4.550 4.372 0.178 25137 689 1 1 . 1 1 123 123 GLU CA C 123 54.470 54.470 55.057 -0.587 25137 690 1 1 . 1 1 123 123 GLU CB C 123 29.640 29.640 29.800 -0.160 25137 691 1 1 . 1 1 123 123 GLU H H 123 8.420 8.420 8.545 -0.125 25137 692 1 1 . 1 1 124 124 PRO HA H 124 4.384 4.384 4.469 -0.085 25137 693 1 1 . 1 1 124 124 PRO C C 124 175.770 175.770 175.681 0.089 25137 694 1 1 . 1 1 124 124 PRO CA C 124 63.350 63.350 62.819 0.530 25137 695 1 1 . 1 1 124 124 PRO CB C 124 32.300 32.300 30.139 2.161 25137 696 1 2 . 1 1 2 2 ALA N N 2 123.423 123.423 121.831 1.592 25137 697 1 2 . 1 1 2 2 ALA HA H 2 4.357 4.357 4.259 0.098 25137 698 1 2 . 1 1 2 2 ALA C C 2 177.811 177.811 176.734 1.077 25137 699 1 2 . 1 1 2 2 ALA CA C 2 52.652 52.652 52.119 0.533 25137 700 1 2 . 1 1 2 2 ALA CB C 2 19.488 19.488 19.355 0.133 25137 701 1 2 . 1 1 2 2 ALA H H 2 7.983 7.983 8.025 -0.042 25137 702 1 2 . 1 1 3 3 MET N N 3 119.390 119.390 118.653 0.737 25137 703 1 2 . 1 1 3 3 MET HA H 3 4.482 4.482 4.587 -0.105 25137 704 1 2 . 1 1 3 3 MET C C 3 176.569 176.569 176.308 0.261 25137 705 1 2 . 1 1 3 3 MET CA C 3 55.570 55.570 56.242 -0.672 25137 706 1 2 . 1 1 3 3 MET CB C 3 32.900 32.900 32.599 0.301 25137 707 1 2 . 1 1 3 3 MET H H 3 8.570 8.570 8.263 0.307 25137 708 1 2 . 1 1 4 4 GLY N N 4 110.130 110.130 112.603 -2.473 25137 709 1 2 . 1 1 4 4 GLY C C 4 173.630 173.630 173.287 0.343 25137 710 1 2 . 1 1 4 4 GLY CA C 4 45.270 45.270 44.188 1.082 25137 711 1 2 . 1 1 4 4 GLY H H 4 8.370 8.370 8.464 -0.094 25137 712 1 2 . 1 1 5 5 MET N N 5 121.570 121.570 123.655 -2.085 25137 713 1 2 . 1 1 5 5 MET HA H 5 4.780 4.780 4.685 0.095 25137 714 1 2 . 1 1 5 5 MET CA C 5 53.630 53.630 53.458 0.172 25137 715 1 2 . 1 1 5 5 MET CB C 5 33.140 33.140 33.111 0.028 25137 716 1 2 . 1 1 5 5 MET H H 5 8.210 8.210 8.382 -0.172 25137 717 1 2 . 1 1 6 6 PRO HA H 6 4.505 4.505 4.580 -0.075 25137 718 1 2 . 1 1 6 6 PRO C C 6 174.520 174.520 175.709 -1.189 25137 719 1 2 . 1 1 6 6 PRO CA C 6 62.980 62.980 62.042 0.938 25137 720 1 2 . 1 1 6 6 PRO CB C 6 32.400 32.400 32.514 -0.114 25137 721 1 2 . 1 1 7 7 LYS N N 7 123.443 123.443 124.855 -1.412 25137 722 1 2 . 1 1 7 7 LYS HA H 7 5.000 5.000 4.712 0.288 25137 723 1 2 . 1 1 7 7 LYS C C 7 175.920 175.920 176.123 -0.203 25137 724 1 2 . 1 1 7 7 LYS CA C 7 54.911 54.911 55.170 -0.259 25137 725 1 2 . 1 1 7 7 LYS CB C 7 33.635 33.635 32.313 1.322 25137 726 1 2 . 1 1 7 7 LYS H H 7 9.675 9.675 9.128 0.547 25137 727 1 2 . 1 1 8 8 VAL N N 8 125.859 125.859 127.829 -1.970 25137 728 1 2 . 1 1 8 8 VAL HA H 8 4.723 4.723 4.927 -0.204 25137 729 1 2 . 1 1 8 8 VAL C C 8 174.630 174.630 173.997 0.633 25137 730 1 2 . 1 1 8 8 VAL CA C 8 59.726 59.726 60.828 -1.102 25137 731 1 2 . 1 1 8 8 VAL CB C 8 34.991 34.991 33.449 1.542 25137 732 1 2 . 1 1 8 8 VAL H H 8 8.851 8.851 9.085 -0.234 25137 733 1 2 . 1 1 9 9 LEU N N 9 127.114 127.114 129.589 -2.475 25137 734 1 2 . 1 1 9 9 LEU HA H 9 5.190 5.190 4.853 0.337 25137 735 1 2 . 1 1 9 9 LEU C C 9 174.090 174.090 174.606 -0.516 25137 736 1 2 . 1 1 9 9 LEU CA C 9 53.090 53.090 53.303 -0.213 25137 737 1 2 . 1 1 9 9 LEU CB C 9 45.007 45.007 44.196 0.811 25137 738 1 2 . 1 1 9 9 LEU H H 9 7.881 7.881 8.666 -0.785 25137 739 1 2 . 1 1 10 10 VAL N N 10 128.024 128.024 127.874 0.150 25137 740 1 2 . 1 1 10 10 VAL HA H 10 4.647 4.647 4.426 0.221 25137 741 1 2 . 1 1 10 10 VAL C C 10 172.900 172.900 174.070 -1.170 25137 742 1 2 . 1 1 10 10 VAL CA C 10 61.206 61.206 61.795 -0.590 25137 743 1 2 . 1 1 10 10 VAL CB C 10 34.541 34.541 33.120 1.421 25137 744 1 2 . 1 1 10 10 VAL H H 10 8.952 8.952 9.184 -0.232 25137 745 1 2 . 1 1 11 11 LEU N N 11 128.979 128.979 129.652 -0.673 25137 746 1 2 . 1 1 11 11 LEU HA H 11 5.504 5.504 5.323 0.181 25137 747 1 2 . 1 1 11 11 LEU C C 11 174.450 174.450 175.120 -0.670 25137 748 1 2 . 1 1 11 11 LEU CA C 11 52.328 52.328 52.773 -0.445 25137 749 1 2 . 1 1 11 11 LEU CB C 11 45.000 45.000 41.423 3.577 25137 750 1 2 . 1 1 11 11 LEU H H 11 8.433 8.433 9.226 -0.793 25137 751 1 2 . 1 1 12 12 GLU N N 12 128.158 128.158 124.637 3.521 25137 752 1 2 . 1 1 12 12 GLU HA H 12 4.294 4.294 4.579 -0.285 25137 753 1 2 . 1 1 12 12 GLU C C 12 173.120 173.120 174.700 -1.580 25137 754 1 2 . 1 1 12 12 GLU CA C 12 56.964 56.964 55.876 1.088 25137 755 1 2 . 1 1 12 12 GLU CB C 12 32.201 32.201 33.221 -1.020 25137 756 1 2 . 1 1 12 12 GLU H H 12 8.532 8.532 8.892 -0.360 25137 757 1 2 . 1 1 13 13 ASP N N 13 123.077 123.077 126.719 -3.642 25137 758 1 2 . 1 1 13 13 ASP HA H 13 4.659 4.659 4.590 0.069 25137 759 1 2 . 1 1 13 13 ASP C C 13 176.090 176.090 176.512 -0.422 25137 760 1 2 . 1 1 13 13 ASP CA C 13 55.140 55.140 55.303 -0.164 25137 761 1 2 . 1 1 13 13 ASP CB C 13 40.524 40.524 41.882 -1.358 25137 762 1 2 . 1 1 13 13 ASP H H 13 8.803 8.803 8.665 0.138 25137 763 1 2 . 1 1 14 14 GLU N N 14 126.685 126.685 120.605 6.080 25137 764 1 2 . 1 1 14 14 GLU HA H 14 4.809 4.809 4.635 0.174 25137 765 1 2 . 1 1 14 14 GLU CA C 14 54.574 54.574 53.189 1.385 25137 766 1 2 . 1 1 14 14 GLU CB C 14 29.310 29.310 29.836 -0.526 25137 767 1 2 . 1 1 14 14 GLU H H 14 10.077 10.077 8.249 1.828 25137 768 1 2 . 1 1 15 15 PRO HA H 15 4.273 4.273 4.232 0.041 25137 769 1 2 . 1 1 15 15 PRO C C 15 179.110 179.110 177.722 1.388 25137 770 1 2 . 1 1 15 15 PRO CA C 15 65.472 65.472 65.264 0.208 25137 771 1 2 . 1 1 15 15 PRO CB C 15 32.462 32.462 31.696 0.766 25137 772 1 2 . 1 1 16 16 LEU N N 16 118.358 118.358 119.276 -0.918 25137 773 1 2 . 1 1 16 16 LEU HA H 16 4.131 4.131 4.121 0.010 25137 774 1 2 . 1 1 16 16 LEU C C 16 179.260 179.260 178.557 0.703 25137 775 1 2 . 1 1 16 16 LEU CA C 16 58.306 58.306 58.109 0.197 25137 776 1 2 . 1 1 16 16 LEU CB C 16 41.731 41.731 41.221 0.510 25137 777 1 2 . 1 1 16 16 LEU H H 16 8.851 8.851 7.406 1.445 25137 778 1 2 . 1 1 17 17 ILE N N 17 117.680 117.680 119.152 -1.472 25137 779 1 2 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.629 0.203 25137 780 1 2 . 1 1 17 17 ILE C C 17 178.230 178.230 178.120 0.110 25137 781 1 2 . 1 1 17 17 ILE CA C 17 63.344 63.344 64.990 -1.646 25137 782 1 2 . 1 1 17 17 ILE CB C 17 36.564 36.564 37.317 -0.753 25137 783 1 2 . 1 1 17 17 ILE H H 17 6.886 6.886 7.371 -0.485 25137 784 1 2 . 1 1 18 18 ALA N N 18 122.321 122.321 123.161 -0.840 25137 785 1 2 . 1 1 18 18 ALA HA H 18 3.720 3.720 3.913 -0.193 25137 786 1 2 . 1 1 18 18 ALA C C 18 178.900 178.900 179.349 -0.449 25137 787 1 2 . 1 1 18 18 ALA CA C 18 55.890 55.890 55.441 0.449 25137 788 1 2 . 1 1 18 18 ALA CB C 18 18.165 18.165 18.270 -0.105 25137 789 1 2 . 1 1 18 18 ALA H H 18 7.988 7.988 8.684 -0.696 25137 790 1 2 . 1 1 19 19 MET N N 19 115.807 115.807 118.600 -2.793 25137 791 1 2 . 1 1 19 19 MET HA H 19 3.999 3.999 4.351 -0.352 25137 792 1 2 . 1 1 19 19 MET C C 19 177.180 177.180 178.353 -1.173 25137 793 1 2 . 1 1 19 19 MET CA C 19 58.144 58.144 59.132 -0.988 25137 794 1 2 . 1 1 19 19 MET CB C 19 32.852 32.852 32.926 -0.074 25137 795 1 2 . 1 1 19 19 MET H H 19 8.204 8.204 8.526 -0.322 25137 796 1 2 . 1 1 20 20 ASN N N 20 117.843 117.843 119.274 -1.431 25137 797 1 2 . 1 1 20 20 ASN HA H 20 4.545 4.545 4.650 -0.105 25137 798 1 2 . 1 1 20 20 ASN C C 20 179.590 179.590 178.317 1.273 25137 799 1 2 . 1 1 20 20 ASN CA C 20 56.222 56.222 56.355 -0.133 25137 800 1 2 . 1 1 20 20 ASN CB C 20 38.005 38.005 38.340 -0.335 25137 801 1 2 . 1 1 20 20 ASN H H 20 7.839 7.839 8.313 -0.474 25137 802 1 2 . 1 1 21 21 LEU N N 21 121.749 121.749 121.705 0.044 25137 803 1 2 . 1 1 21 21 LEU HA H 21 4.055 4.055 4.103 -0.048 25137 804 1 2 . 1 1 21 21 LEU C C 21 177.750 177.750 178.712 -0.962 25137 805 1 2 . 1 1 21 21 LEU CA C 21 58.268 58.268 58.459 -0.191 25137 806 1 2 . 1 1 21 21 LEU CB C 21 42.605 42.605 41.905 0.700 25137 807 1 2 . 1 1 21 21 LEU H H 21 8.601 8.601 8.784 -0.183 25137 808 1 2 . 1 1 22 22 GLN N N 22 120.991 120.991 119.813 1.178 25137 809 1 2 . 1 1 22 22 GLN HA H 22 3.935 3.935 3.964 -0.029 25137 810 1 2 . 1 1 22 22 GLN C C 22 178.070 178.070 178.540 -0.470 25137 811 1 2 . 1 1 22 22 GLN CA C 22 60.463 60.463 59.561 0.902 25137 812 1 2 . 1 1 22 22 GLN CB C 22 26.902 26.902 28.610 -1.708 25137 813 1 2 . 1 1 22 22 GLN H H 22 8.749 8.749 8.380 0.369 25137 814 1 2 . 1 1 23 23 TYR N N 23 117.446 117.446 118.364 -0.918 25137 815 1 2 . 1 1 23 23 TYR HA H 23 4.517 4.517 4.333 0.184 25137 816 1 2 . 1 1 23 23 TYR C C 23 178.210 178.210 178.268 -0.058 25137 817 1 2 . 1 1 23 23 TYR CA C 23 59.425 59.425 61.385 -1.960 25137 818 1 2 . 1 1 23 23 TYR CB C 23 36.975 36.975 38.161 -1.186 25137 819 1 2 . 1 1 23 23 TYR H H 23 8.450 8.450 8.686 -0.236 25137 820 1 2 . 1 1 24 24 ALA N N 24 121.627 121.627 123.094 -1.467 25137 821 1 2 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.049 0.051 25137 822 1 2 . 1 1 24 24 ALA C C 24 180.910 180.910 179.299 1.611 25137 823 1 2 . 1 1 24 24 ALA CA C 24 55.060 55.060 54.882 0.178 25137 824 1 2 . 1 1 24 24 ALA CB C 24 18.070 18.070 18.082 -0.012 25137 825 1 2 . 1 1 24 24 ALA H H 24 7.765 7.765 7.923 -0.158 25137 826 1 2 . 1 1 25 25 PHE N N 25 115.589 115.589 117.873 -2.284 25137 827 1 2 . 1 1 25 25 PHE HA H 25 3.940 3.940 4.123 -0.183 25137 828 1 2 . 1 1 25 25 PHE C C 25 179.090 179.090 178.489 0.601 25137 829 1 2 . 1 1 25 25 PHE CA C 25 63.453 63.453 62.562 0.891 25137 830 1 2 . 1 1 25 25 PHE CB C 25 39.484 39.484 38.928 0.556 25137 831 1 2 . 1 1 25 25 PHE H H 25 8.348 8.348 8.768 -0.420 25137 832 1 2 . 1 1 26 26 GLU N N 26 121.198 121.198 119.157 2.041 25137 833 1 2 . 1 1 26 26 GLU HA H 26 4.429 4.429 4.404 0.025 25137 834 1 2 . 1 1 26 26 GLU C C 26 181.680 181.680 179.372 2.308 25137 835 1 2 . 1 1 26 26 GLU CA C 26 59.737 59.737 58.760 0.977 25137 836 1 2 . 1 1 26 26 GLU CB C 26 28.925 28.925 29.338 -0.413 25137 837 1 2 . 1 1 26 26 GLU H H 26 8.822 8.822 8.544 0.278 25137 838 1 2 . 1 1 27 27 ASP N N 27 121.846 121.846 120.421 1.425 25137 839 1 2 . 1 1 27 27 ASP HA H 27 4.468 4.468 4.514 -0.046 25137 840 1 2 . 1 1 27 27 ASP C C 27 177.880 177.880 177.598 0.282 25137 841 1 2 . 1 1 27 27 ASP CA C 27 56.996 56.996 56.602 0.394 25137 842 1 2 . 1 1 27 27 ASP CB C 27 40.640 40.640 41.007 -0.367 25137 843 1 2 . 1 1 27 27 ASP H H 27 8.424 8.424 7.902 0.522 25137 844 1 2 . 1 1 28 28 GLU N N 28 115.759 115.759 117.165 -1.406 25137 845 1 2 . 1 1 28 28 GLU HA H 28 4.331 4.331 4.429 -0.098 25137 846 1 2 . 1 1 28 28 GLU C C 28 176.460 176.460 176.845 -0.385 25137 847 1 2 . 1 1 28 28 GLU CA C 28 55.395 55.395 55.684 -0.289 25137 848 1 2 . 1 1 28 28 GLU CB C 28 30.264 30.264 29.575 0.689 25137 849 1 2 . 1 1 28 28 GLU H H 28 7.170 7.170 7.587 -0.417 25137 850 1 2 . 1 1 29 29 GLY N N 29 106.899 106.899 107.647 -0.748 25137 851 1 2 . 1 1 29 29 GLY C C 29 173.160 173.160 173.049 0.111 25137 852 1 2 . 1 1 29 29 GLY CA C 29 45.589 45.589 45.489 0.100 25137 853 1 2 . 1 1 29 29 GLY H H 29 7.889 7.889 7.801 0.088 25137 854 1 2 . 1 1 30 30 ALA N N 30 121.007 121.007 121.361 -0.354 25137 855 1 2 . 1 1 30 30 ALA HA H 30 4.680 4.680 5.122 -0.442 25137 856 1 2 . 1 1 30 30 ALA C C 30 175.880 175.880 175.304 0.576 25137 857 1 2 . 1 1 30 30 ALA CA C 30 50.666 50.666 50.509 0.157 25137 858 1 2 . 1 1 30 30 ALA CB C 30 21.882 21.882 22.178 -0.296 25137 859 1 2 . 1 1 30 30 ALA H H 30 7.743 7.743 7.615 0.128 25137 860 1 2 . 1 1 31 31 GLU N N 31 120.065 120.065 120.041 0.024 25137 861 1 2 . 1 1 31 31 GLU HA H 31 4.664 4.664 4.681 -0.017 25137 862 1 2 . 1 1 31 31 GLU C C 31 175.430 175.430 174.544 0.886 25137 863 1 2 . 1 1 31 31 GLU CA C 31 55.136 55.136 55.156 -0.020 25137 864 1 2 . 1 1 31 31 GLU CB C 31 32.126 32.126 32.242 -0.116 25137 865 1 2 . 1 1 31 31 GLU H H 31 8.595 8.595 8.463 0.132 25137 866 1 2 . 1 1 32 32 VAL N N 32 123.414 123.414 125.276 -1.862 25137 867 1 2 . 1 1 32 32 VAL HA H 32 4.787 4.787 4.762 0.025 25137 868 1 2 . 1 1 32 32 VAL C C 32 175.290 175.290 175.722 -0.432 25137 869 1 2 . 1 1 32 32 VAL CA C 32 60.802 60.802 60.023 0.779 25137 870 1 2 . 1 1 32 32 VAL CB C 32 34.991 34.991 33.538 1.453 25137 871 1 2 . 1 1 32 32 VAL H H 32 8.872 8.872 8.475 0.397 25137 872 1 2 . 1 1 33 33 VAL N N 33 128.158 128.158 127.272 0.886 25137 873 1 2 . 1 1 33 33 VAL HA H 33 4.226 4.226 4.307 -0.081 25137 874 1 2 . 1 1 33 33 VAL C C 33 173.830 173.830 174.499 -0.669 25137 875 1 2 . 1 1 33 33 VAL CA C 33 60.990 60.990 60.888 0.102 25137 876 1 2 . 1 1 33 33 VAL CB C 33 33.736 33.736 34.129 -0.393 25137 877 1 2 . 1 1 33 33 VAL H H 33 9.042 9.042 9.093 -0.051 25137 878 1 2 . 1 1 34 34 VAL N N 34 126.239 126.239 125.933 0.306 25137 879 1 2 . 1 1 34 34 VAL HA H 34 4.751 4.751 4.348 0.403 25137 880 1 2 . 1 1 34 34 VAL C C 34 175.100 175.100 174.993 0.107 25137 881 1 2 . 1 1 34 34 VAL CA C 34 61.389 61.389 61.357 0.032 25137 882 1 2 . 1 1 34 34 VAL CB C 34 33.193 33.193 32.849 0.344 25137 883 1 2 . 1 1 34 34 VAL H H 34 8.522 8.522 8.462 0.060 25137 884 1 2 . 1 1 35 35 ALA N N 35 129.955 129.955 129.355 0.600 25137 885 1 2 . 1 1 35 35 ALA HA H 35 4.682 4.682 5.001 -0.319 25137 886 1 2 . 1 1 35 35 ALA C C 35 174.380 174.380 175.934 -1.554 25137 887 1 2 . 1 1 35 35 ALA CA C 35 50.154 50.154 50.614 -0.460 25137 888 1 2 . 1 1 35 35 ALA CB C 35 22.922 22.922 22.445 0.477 25137 889 1 2 . 1 1 35 35 ALA H H 35 9.388 9.388 8.955 0.433 25137 890 1 2 . 1 1 36 36 ALA N N 36 121.011 121.011 123.593 -2.582 25137 891 1 2 . 1 1 36 36 ALA HA H 36 4.632 4.632 4.651 -0.019 25137 892 1 2 . 1 1 36 36 ALA C C 36 176.490 176.490 176.537 -0.047 25137 893 1 2 . 1 1 36 36 ALA CA C 36 51.778 51.778 52.572 -0.794 25137 894 1 2 . 1 1 36 36 ALA CB C 36 21.506 21.506 19.509 1.996 25137 895 1 2 . 1 1 36 36 ALA H H 36 8.539 8.539 8.580 -0.041 25137 896 1 2 . 1 1 37 37 THR N N 37 102.880 102.880 106.044 -3.164 25137 897 1 2 . 1 1 37 37 THR HA H 37 4.620 4.620 4.508 0.112 25137 898 1 2 . 1 1 37 37 THR C C 37 174.710 174.710 175.217 -0.507 25137 899 1 2 . 1 1 37 37 THR CA C 37 57.520 57.520 59.976 -2.456 25137 900 1 2 . 1 1 37 37 THR CB C 37 72.972 72.972 72.043 0.929 25137 901 1 2 . 1 1 37 37 THR H H 37 7.019 7.019 7.134 -0.115 25137 902 1 2 . 1 1 38 38 CYS N N 38 120.553 120.553 120.775 -0.222 25137 903 1 2 . 1 1 38 38 CYS HA H 38 3.677 3.677 4.010 -0.333 25137 904 1 2 . 1 1 38 38 CYS C C 38 176.020 176.020 176.845 -0.825 25137 905 1 2 . 1 1 38 38 CYS CA C 38 63.179 63.179 64.183 -1.004 25137 906 1 2 . 1 1 38 38 CYS CB C 38 26.317 26.317 27.613 -1.296 25137 907 1 2 . 1 1 38 38 CYS H H 38 9.398 9.398 9.030 0.368 25137 908 1 2 . 1 1 39 39 GLU N N 39 118.521 118.521 120.026 -1.505 25137 909 1 2 . 1 1 39 39 GLU HA H 39 3.829 3.829 3.942 -0.113 25137 910 1 2 . 1 1 39 39 GLU C C 39 179.470 179.470 179.153 0.317 25137 911 1 2 . 1 1 39 39 GLU CA C 39 60.594 60.594 59.656 0.938 25137 912 1 2 . 1 1 39 39 GLU CB C 39 28.963 28.963 29.221 -0.258 25137 913 1 2 . 1 1 39 39 GLU H H 39 8.960 8.960 8.585 0.375 25137 914 1 2 . 1 1 40 40 GLN N N 40 118.602 118.602 118.730 -0.128 25137 915 1 2 . 1 1 40 40 GLN HA H 40 4.021 4.021 4.006 0.015 25137 916 1 2 . 1 1 40 40 GLN C C 40 176.211 176.211 178.388 -2.177 25137 917 1 2 . 1 1 40 40 GLN CA C 40 58.306 58.306 58.599 -0.293 25137 918 1 2 . 1 1 40 40 GLN CB C 40 28.925 28.925 28.593 0.332 25137 919 1 2 . 1 1 40 40 GLN H H 40 7.855 7.855 8.064 -0.209 25137 920 1 2 . 1 1 41 41 ALA N N 41 122.395 122.395 123.279 -0.884 25137 921 1 2 . 1 1 41 41 ALA HA H 41 3.735 3.735 3.966 -0.231 25137 922 1 2 . 1 1 41 41 ALA C C 41 178.440 178.440 179.458 -1.018 25137 923 1 2 . 1 1 41 41 ALA CA C 41 55.178 55.178 55.268 -0.090 25137 924 1 2 . 1 1 41 41 ALA CB C 41 19.872 19.872 18.406 1.466 25137 925 1 2 . 1 1 41 41 ALA H H 41 8.009 8.009 7.653 0.356 25137 926 1 2 . 1 1 42 42 LEU N N 42 116.832 116.832 118.386 -1.554 25137 927 1 2 . 1 1 42 42 LEU HA H 42 3.875 3.875 3.843 0.032 25137 928 1 2 . 1 1 42 42 LEU C C 42 180.080 180.080 179.112 0.968 25137 929 1 2 . 1 1 42 42 LEU CA C 42 58.011 58.011 57.599 0.412 25137 930 1 2 . 1 1 42 42 LEU CB C 42 40.961 40.961 41.161 -0.200 25137 931 1 2 . 1 1 42 42 LEU H H 42 8.497 8.497 8.565 -0.068 25137 932 1 2 . 1 1 43 43 LYS N N 43 121.087 121.087 120.252 0.835 25137 933 1 2 . 1 1 43 43 LYS HA H 43 4.065 4.065 3.899 0.166 25137 934 1 2 . 1 1 43 43 LYS C C 43 178.500 178.500 178.872 -0.372 25137 935 1 2 . 1 1 43 43 LYS CA C 43 59.256 59.256 59.899 -0.643 25137 936 1 2 . 1 1 43 43 LYS CB C 43 32.295 32.295 32.232 0.063 25137 937 1 2 . 1 1 43 43 LYS H H 43 7.593 7.593 7.772 -0.179 25137 938 1 2 . 1 1 44 44 SER N N 44 115.150 115.150 115.403 -0.253 25137 939 1 2 . 1 1 44 44 SER HA H 44 4.130 4.130 4.228 -0.098 25137 940 1 2 . 1 1 44 44 SER C C 44 176.430 176.430 176.736 -0.306 25137 941 1 2 . 1 1 44 44 SER CA C 44 62.900 62.900 61.462 1.438 25137 942 1 2 . 1 1 44 44 SER CB C 44 62.900 62.900 62.978 -0.078 25137 943 1 2 . 1 1 44 44 SER H H 44 8.100 8.100 7.844 0.256 25137 944 1 2 . 1 1 45 45 LEU N N 45 120.050 120.050 122.757 -2.707 25137 945 1 2 . 1 1 45 45 LEU HA H 45 4.121 4.121 4.011 0.110 25137 946 1 2 . 1 1 45 45 LEU C C 45 177.260 177.260 178.210 -0.950 25137 947 1 2 . 1 1 45 45 LEU CA C 45 56.770 56.770 57.731 -0.961 25137 948 1 2 . 1 1 45 45 LEU CB C 45 42.389 42.389 41.096 1.293 25137 949 1 2 . 1 1 45 45 LEU H H 45 8.050 8.050 8.493 -0.443 25137 950 1 2 . 1 1 46 46 ALA N N 46 119.940 119.940 119.251 0.689 25137 951 1 2 . 1 1 46 46 ALA HA H 46 4.093 4.093 4.120 -0.027 25137 952 1 2 . 1 1 46 46 ALA C C 46 179.310 179.310 179.548 -0.238 25137 953 1 2 . 1 1 46 46 ALA CA C 46 54.126 54.126 54.336 -0.210 25137 954 1 2 . 1 1 46 46 ALA CB C 46 18.412 18.412 18.632 -0.220 25137 955 1 2 . 1 1 46 46 ALA H H 46 7.360 7.360 7.742 -0.382 25137 956 1 2 . 1 1 47 47 ASP N N 47 115.277 115.277 118.701 -3.424 25137 957 1 2 . 1 1 47 47 ASP HA H 47 4.610 4.610 4.628 -0.017 25137 958 1 2 . 1 1 47 47 ASP C C 47 175.930 175.930 176.741 -0.811 25137 959 1 2 . 1 1 47 47 ASP CA C 47 55.087 55.087 55.678 -0.591 25137 960 1 2 . 1 1 47 47 ASP CB C 47 42.364 42.364 41.946 0.418 25137 961 1 2 . 1 1 47 47 ASP H H 47 7.583 7.583 8.113 -0.530 25137 962 1 2 . 1 1 48 48 ASN N N 48 116.977 116.977 116.566 0.411 25137 963 1 2 . 1 1 48 48 ASN HA H 48 5.219 5.219 5.152 0.067 25137 964 1 2 . 1 1 48 48 ASN CA C 48 51.096 51.096 51.073 0.023 25137 965 1 2 . 1 1 48 48 ASN CB C 48 42.381 42.381 40.373 2.008 25137 966 1 2 . 1 1 48 48 ASN H H 48 7.727 7.727 8.316 -0.589 25137 967 1 2 . 1 1 49 49 PRO HA H 49 4.551 4.551 4.622 -0.071 25137 968 1 2 . 1 1 49 49 PRO C C 49 174.890 174.890 175.471 -0.581 25137 969 1 2 . 1 1 49 49 PRO CA C 49 62.093 62.093 62.227 -0.134 25137 970 1 2 . 1 1 49 49 PRO CB C 49 29.940 29.940 31.139 -1.199 25137 971 1 2 . 1 1 50 50 ILE N N 50 122.280 122.280 124.141 -1.861 25137 972 1 2 . 1 1 50 50 ILE HA H 50 3.908 3.908 3.907 0.001 25137 973 1 2 . 1 1 50 50 ILE C C 50 174.840 174.840 175.933 -1.093 25137 974 1 2 . 1 1 50 50 ILE CA C 50 58.580 58.580 60.848 -2.268 25137 975 1 2 . 1 1 50 50 ILE CB C 50 38.850 38.850 37.031 1.819 25137 976 1 2 . 1 1 50 50 ILE H H 50 7.420 7.420 7.909 -0.489 25137 977 1 2 . 1 1 51 51 ASP N N 51 123.770 123.770 126.634 -2.864 25137 978 1 2 . 1 1 51 51 ASP HA H 51 4.749 4.749 4.825 -0.076 25137 979 1 2 . 1 1 51 51 ASP C C 51 175.114 175.114 176.022 -0.908 25137 980 1 2 . 1 1 51 51 ASP CA C 51 56.930 56.930 56.113 0.817 25137 981 1 2 . 1 1 51 51 ASP CB C 51 44.360 44.360 43.047 1.313 25137 982 1 2 . 1 1 51 51 ASP H H 51 9.310 9.310 8.738 0.572 25137 983 1 2 . 1 1 52 52 VAL N N 52 114.454 114.454 117.807 -3.353 25137 984 1 2 . 1 1 52 52 VAL HA H 52 4.874 4.874 5.133 -0.259 25137 985 1 2 . 1 1 52 52 VAL C C 52 171.129 171.129 172.934 -1.805 25137 986 1 2 . 1 1 52 52 VAL CA C 52 59.850 59.850 60.235 -0.385 25137 987 1 2 . 1 1 52 52 VAL CB C 52 32.980 32.980 35.295 -2.315 25137 988 1 2 . 1 1 52 52 VAL H H 52 7.580 7.580 7.684 -0.104 25137 989 1 2 . 1 1 53 53 ALA N N 53 124.620 124.620 126.119 -1.499 25137 990 1 2 . 1 1 53 53 ALA HA H 53 5.665 5.665 5.147 0.518 25137 991 1 2 . 1 1 53 53 ALA C C 53 175.100 175.100 174.914 0.186 25137 992 1 2 . 1 1 53 53 ALA CA C 53 49.810 49.810 50.524 -0.714 25137 993 1 2 . 1 1 53 53 ALA CB C 53 25.750 25.750 22.650 3.100 25137 994 1 2 . 1 1 53 53 ALA H H 53 7.780 7.780 8.576 -0.796 25137 995 1 2 . 1 1 54 54 VAL N N 54 118.950 118.950 116.999 1.951 25137 996 1 2 . 1 1 54 54 VAL HA H 54 4.647 4.647 5.135 -0.488 25137 997 1 2 . 1 1 54 54 VAL C C 54 174.020 174.020 174.302 -0.282 25137 998 1 2 . 1 1 54 54 VAL CA C 54 61.580 61.580 61.092 0.488 25137 999 1 2 . 1 1 54 54 VAL CB C 54 34.320 34.320 33.659 0.661 25137 1000 1 2 . 1 1 54 54 VAL H H 54 8.730 8.730 8.968 -0.238 25137 1001 1 2 . 1 1 55 55 LEU N N 55 124.820 124.820 128.195 -3.375 25137 1002 1 2 . 1 1 55 55 LEU HA H 55 4.953 4.953 4.697 0.256 25137 1003 1 2 . 1 1 55 55 LEU C C 55 176.110 176.110 175.722 0.388 25137 1004 1 2 . 1 1 55 55 LEU CA C 55 53.540 53.540 53.886 -0.346 25137 1005 1 2 . 1 1 55 55 LEU CB C 55 42.690 42.690 43.596 -0.906 25137 1006 1 2 . 1 1 55 55 LEU H H 55 9.240 9.240 9.278 -0.038 25137 1007 1 2 . 1 1 56 56 ASP N N 56 124.220 124.220 125.179 -0.959 25137 1008 1 2 . 1 1 56 56 ASP HA H 56 5.629 5.629 4.728 0.901 25137 1009 1 2 . 1 1 56 56 ASP C C 56 174.460 174.460 176.594 -2.134 25137 1010 1 2 . 1 1 56 56 ASP CA C 56 52.930 52.930 53.050 -0.120 25137 1011 1 2 . 1 1 56 56 ASP CB C 56 43.400 43.400 42.690 0.710 25137 1012 1 2 . 1 1 56 56 ASP H H 56 8.360 8.360 8.733 -0.373 25137 1013 1 2 . 1 1 57 57 VAL N N 57 119.581 119.581 123.676 -4.095 25137 1014 1 2 . 1 1 57 57 VAL HA H 57 4.239 4.239 3.918 0.321 25137 1015 1 2 . 1 1 57 57 VAL C C 57 175.480 175.480 175.863 -0.383 25137 1016 1 2 . 1 1 57 57 VAL CA C 57 64.564 64.564 62.291 2.273 25137 1017 1 2 . 1 1 57 57 VAL CB C 57 32.520 32.520 31.934 0.586 25137 1018 1 2 . 1 1 57 57 VAL H H 57 7.022 7.022 8.407 -1.385 25137 1019 1 2 . 1 1 58 58 ASN N N 58 114.490 114.490 118.007 -3.517 25137 1020 1 2 . 1 1 58 58 ASN HA H 58 4.693 4.693 4.770 -0.077 25137 1021 1 2 . 1 1 58 58 ASN C C 58 173.400 173.400 175.199 -1.799 25137 1022 1 2 . 1 1 58 58 ASN CA C 58 53.570 53.570 51.833 1.737 25137 1023 1 2 . 1 1 58 58 ASN CB C 58 38.820 38.820 39.118 -0.298 25137 1024 1 2 . 1 1 58 58 ASN H H 58 8.600 8.600 8.292 0.308 25137 1025 1 2 . 1 1 59 59 LEU N N 59 130.670 130.670 121.300 9.370 25137 1026 1 2 . 1 1 59 59 LEU HA H 59 4.647 4.647 4.103 0.544 25137 1027 1 2 . 1 1 59 59 LEU C C 59 175.340 175.340 177.697 -2.357 25137 1028 1 2 . 1 1 59 59 LEU CA C 59 53.550 53.550 56.700 -3.150 25137 1029 1 2 . 1 1 59 59 LEU CB C 59 41.430 41.430 41.676 -0.246 25137 1030 1 2 . 1 1 59 59 LEU H H 59 8.260 8.260 7.958 0.302 25137 1031 1 2 . 1 1 60 60 GLY N N 60 109.030 109.030 103.804 5.226 25137 1032 1 2 . 1 1 60 60 GLY CA C 60 44.610 44.610 44.941 -0.331 25137 1033 1 2 . 1 1 60 60 GLY H H 60 7.860 7.860 7.813 0.047 25137 1034 1 2 . 1 1 61 61 PRO HA H 61 4.385 4.385 4.338 0.047 25137 1035 1 2 . 1 1 61 61 PRO C C 61 177.960 177.960 177.676 0.284 25137 1036 1 2 . 1 1 61 61 PRO CA C 61 64.888 64.888 64.866 0.022 25137 1037 1 2 . 1 1 61 61 PRO CB C 61 32.070 32.070 32.206 -0.136 25137 1038 1 2 . 1 1 62 62 LYS N N 62 115.984 115.984 114.889 1.095 25137 1039 1 2 . 1 1 62 62 LYS HA H 62 4.524 4.524 4.476 0.049 25137 1040 1 2 . 1 1 62 62 LYS C C 62 175.810 175.810 175.922 -0.112 25137 1041 1 2 . 1 1 62 62 LYS CA C 62 55.444 55.444 56.513 -1.069 25137 1042 1 2 . 1 1 62 62 LYS CB C 62 33.216 33.216 33.165 0.051 25137 1043 1 2 . 1 1 62 62 LYS H H 62 8.625 8.625 7.893 0.732 25137 1044 1 2 . 1 1 63 63 SER N N 63 113.432 113.432 117.379 -3.947 25137 1045 1 2 . 1 1 63 63 SER HA H 63 4.609 4.609 4.258 0.351 25137 1046 1 2 . 1 1 63 63 SER C C 63 172.560 172.560 172.960 -0.400 25137 1047 1 2 . 1 1 63 63 SER CA C 63 57.715 57.715 59.420 -1.706 25137 1048 1 2 . 1 1 63 63 SER CB C 63 64.866 64.866 63.375 1.491 25137 1049 1 2 . 1 1 63 63 SER H H 63 7.389 7.389 7.967 -0.578 25137 1050 1 2 . 1 1 64 64 HIS N N 64 122.580 122.580 119.489 3.091 25137 1051 1 2 . 1 1 64 64 HIS HA H 64 5.833 5.833 4.835 0.998 25137 1052 1 2 . 1 1 64 64 HIS C C 64 176.210 176.210 174.116 2.094 25137 1053 1 2 . 1 1 64 64 HIS CA C 64 54.006 54.006 54.083 -0.077 25137 1054 1 2 . 1 1 64 64 HIS CB C 64 34.092 34.092 32.555 1.537 25137 1055 1 2 . 1 1 64 64 HIS H H 64 7.762 7.762 7.789 -0.027 25137 1056 1 2 . 1 1 65 65 CYS N N 65 111.478 111.478 120.713 -9.235 25137 1057 1 2 . 1 1 65 65 CYS HA H 65 4.342 4.342 4.690 -0.348 25137 1058 1 2 . 1 1 65 65 CYS C C 65 175.881 175.881 175.301 0.580 25137 1059 1 2 . 1 1 65 65 CYS CA C 65 57.980 57.980 57.688 0.292 25137 1060 1 2 . 1 1 65 65 CYS CB C 65 29.790 29.790 26.398 3.392 25137 1061 1 2 . 1 1 65 65 CYS H H 65 7.946 7.946 8.155 -0.209 25137 1062 1 2 . 1 1 66 66 GLY N N 66 120.340 120.340 113.714 6.626 25137 1063 1 2 . 1 1 66 66 GLY CA C 66 48.880 48.880 46.167 2.713 25137 1064 1 2 . 1 1 66 66 GLY H H 66 11.290 11.290 8.189 3.101 25137 1065 1 2 . 1 1 67 67 PRO HA H 67 4.386 4.386 4.239 0.147 25137 1066 1 2 . 1 1 67 67 PRO C C 67 179.860 179.860 178.215 1.645 25137 1067 1 2 . 1 1 67 67 PRO CA C 67 65.388 65.388 65.571 -0.183 25137 1068 1 2 . 1 1 67 67 PRO CB C 67 32.970 32.970 31.485 1.486 25137 1069 1 2 . 1 1 68 68 VAL N N 68 116.564 116.564 117.295 -0.731 25137 1070 1 2 . 1 1 68 68 VAL HA H 68 3.494 3.494 3.563 -0.069 25137 1071 1 2 . 1 1 68 68 VAL C C 68 176.350 176.350 177.452 -1.102 25137 1072 1 2 . 1 1 68 68 VAL CA C 68 64.839 64.839 66.419 -1.581 25137 1073 1 2 . 1 1 68 68 VAL CB C 68 31.396 31.396 31.112 0.284 25137 1074 1 2 . 1 1 68 68 VAL H H 68 7.471 7.471 7.645 -0.174 25137 1075 1 2 . 1 1 69 69 ALA N N 69 122.825 122.825 122.775 0.050 25137 1076 1 2 . 1 1 69 69 ALA HA H 69 3.085 3.085 3.254 -0.169 25137 1077 1 2 . 1 1 69 69 ALA C C 69 179.280 179.280 179.289 -0.009 25137 1078 1 2 . 1 1 69 69 ALA CA C 69 55.209 55.209 55.191 0.018 25137 1079 1 2 . 1 1 69 69 ALA CB C 69 18.141 18.141 17.909 0.233 25137 1080 1 2 . 1 1 69 69 ALA H H 69 7.880 7.880 7.670 0.210 25137 1081 1 2 . 1 1 70 70 ASP N N 70 116.269 116.269 119.002 -2.733 25137 1082 1 2 . 1 1 70 70 ASP HA H 70 4.314 4.314 4.275 0.039 25137 1083 1 2 . 1 1 70 70 ASP C C 70 178.300 178.300 178.395 -0.095 25137 1084 1 2 . 1 1 70 70 ASP CA C 70 57.530 57.530 58.026 -0.496 25137 1085 1 2 . 1 1 70 70 ASP CB C 70 40.582 40.582 40.765 -0.183 25137 1086 1 2 . 1 1 70 70 ASP H H 70 8.316 8.316 7.846 0.470 25137 1087 1 2 . 1 1 71 71 ALA N N 71 122.771 122.771 123.031 -0.260 25137 1088 1 2 . 1 1 71 71 ALA HA H 71 4.045 4.045 4.016 0.029 25137 1089 1 2 . 1 1 71 71 ALA C C 71 180.700 180.700 179.981 0.719 25137 1090 1 2 . 1 1 71 71 ALA CA C 71 55.062 55.062 55.069 -0.007 25137 1091 1 2 . 1 1 71 71 ALA CB C 71 18.675 18.675 18.317 0.358 25137 1092 1 2 . 1 1 71 71 ALA H H 71 7.156 7.156 8.125 -0.969 25137 1093 1 2 . 1 1 72 72 LEU N N 72 119.021 119.021 118.023 0.998 25137 1094 1 2 . 1 1 72 72 LEU HA H 72 3.824 3.824 3.818 0.006 25137 1095 1 2 . 1 1 72 72 LEU C C 72 179.560 179.560 179.351 0.209 25137 1096 1 2 . 1 1 72 72 LEU CA C 72 58.351 58.351 57.700 0.651 25137 1097 1 2 . 1 1 72 72 LEU CB C 72 40.437 40.437 41.407 -0.970 25137 1098 1 2 . 1 1 72 72 LEU H H 72 8.250 8.250 8.357 -0.107 25137 1099 1 2 . 1 1 73 73 LYS N N 73 120.087 120.087 119.324 0.763 25137 1100 1 2 . 1 1 73 73 LYS HA H 73 4.431 4.431 4.195 0.236 25137 1101 1 2 . 1 1 73 73 LYS C C 73 181.310 181.310 180.186 1.124 25137 1102 1 2 . 1 1 73 73 LYS CA C 73 59.307 59.307 58.850 0.457 25137 1103 1 2 . 1 1 73 73 LYS CB C 73 32.404 32.404 31.645 0.759 25137 1104 1 2 . 1 1 73 73 LYS H H 73 8.383 8.383 8.295 0.088 25137 1105 1 2 . 1 1 74 74 GLN N N 74 118.982 118.982 118.256 0.726 25137 1106 1 2 . 1 1 74 74 GLN HA H 74 4.074 4.074 4.203 -0.129 25137 1107 1 2 . 1 1 74 74 GLN C C 74 177.620 177.620 177.273 0.347 25137 1108 1 2 . 1 1 74 74 GLN CA C 74 58.834 58.834 57.939 0.895 25137 1109 1 2 . 1 1 74 74 GLN CB C 74 28.505 28.505 28.523 -0.018 25137 1110 1 2 . 1 1 74 74 GLN H H 74 8.015 8.015 8.364 -0.349 25137 1111 1 2 . 1 1 75 75 ARG N N 75 116.770 116.770 116.693 0.077 25137 1112 1 2 . 1 1 75 75 ARG HA H 75 4.272 4.272 4.486 -0.214 25137 1113 1 2 . 1 1 75 75 ARG C C 75 174.310 174.310 175.101 -0.791 25137 1114 1 2 . 1 1 75 75 ARG CA C 75 55.950 55.950 55.160 0.790 25137 1115 1 2 . 1 1 75 75 ARG CB C 75 31.780 31.780 30.745 1.035 25137 1116 1 2 . 1 1 75 75 ARG H H 75 7.240 7.240 7.437 -0.197 25137 1117 1 2 . 1 1 76 76 ALA N N 76 122.020 122.020 120.976 1.044 25137 1118 1 2 . 1 1 76 76 ALA HA H 76 4.050 4.050 4.048 0.002 25137 1119 1 2 . 1 1 76 76 ALA C C 76 176.240 176.240 176.904 -0.664 25137 1120 1 2 . 1 1 76 76 ALA CA C 76 53.170 53.170 52.715 0.455 25137 1121 1 2 . 1 1 76 76 ALA CB C 76 16.650 16.650 17.106 -0.456 25137 1122 1 2 . 1 1 76 76 ALA H H 76 8.065 8.065 7.469 0.596 25137 1123 1 2 . 1 1 77 77 ILE N N 77 122.300 122.300 119.860 2.440 25137 1124 1 2 . 1 1 77 77 ILE HA H 77 4.502 4.502 4.305 0.197 25137 1125 1 2 . 1 1 77 77 ILE CA C 77 58.610 58.610 58.973 -0.363 25137 1126 1 2 . 1 1 77 77 ILE CB C 77 40.000 40.000 38.438 1.562 25137 1127 1 2 . 1 1 77 77 ILE H H 77 8.080 8.080 8.156 -0.076 25137 1128 1 2 . 1 1 78 78 PRO HA H 78 4.454 4.454 4.560 -0.106 25137 1129 1 2 . 1 1 78 78 PRO C C 78 174.680 174.680 175.465 -0.785 25137 1130 1 2 . 1 1 78 78 PRO CA C 78 62.622 62.622 62.689 -0.067 25137 1131 1 2 . 1 1 78 78 PRO CB C 78 32.772 32.772 32.220 0.552 25137 1132 1 2 . 1 1 79 79 PHE N N 79 109.800 109.800 116.376 -6.576 25137 1133 1 2 . 1 1 79 79 PHE HA H 79 5.656 5.656 5.514 0.142 25137 1134 1 2 . 1 1 79 79 PHE C C 79 172.780 172.780 173.518 -0.738 25137 1135 1 2 . 1 1 79 79 PHE CA C 79 55.612 55.612 55.812 -0.200 25137 1136 1 2 . 1 1 79 79 PHE CB C 79 42.181 42.181 42.378 -0.197 25137 1137 1 2 . 1 1 79 79 PHE H H 79 7.463 7.463 7.889 -0.426 25137 1138 1 2 . 1 1 80 80 ILE N N 80 114.746 114.746 119.934 -5.188 25137 1139 1 2 . 1 1 80 80 ILE HA H 80 4.545 4.545 4.539 0.006 25137 1140 1 2 . 1 1 80 80 ILE C C 80 174.750 174.750 175.088 -0.338 25137 1141 1 2 . 1 1 80 80 ILE CA C 80 58.914 58.914 59.823 -0.909 25137 1142 1 2 . 1 1 80 80 ILE CB C 80 43.079 43.079 42.481 0.598 25137 1143 1 2 . 1 1 80 80 ILE H H 80 8.024 8.024 8.478 -0.454 25137 1144 1 2 . 1 1 81 81 LEU N N 81 124.450 124.450 126.646 -2.196 25137 1145 1 2 . 1 1 81 81 LEU HA H 81 5.470 5.470 5.137 0.333 25137 1146 1 2 . 1 1 81 81 LEU C C 81 175.620 175.620 176.317 -0.697 25137 1147 1 2 . 1 1 81 81 LEU CA C 81 53.345 53.345 53.285 0.060 25137 1148 1 2 . 1 1 81 81 LEU CB C 81 43.304 43.304 40.033 3.271 25137 1149 1 2 . 1 1 81 81 LEU H H 81 8.935 8.935 9.197 -0.262 25137 1150 1 2 . 1 1 82 82 HIS N N 82 126.167 126.167 126.689 -0.522 25137 1151 1 2 . 1 1 82 82 HIS HA H 82 5.880 5.880 5.188 0.692 25137 1152 1 2 . 1 1 82 82 HIS C C 82 172.730 172.730 173.899 -1.169 25137 1153 1 2 . 1 1 82 82 HIS CA C 82 52.947 52.947 53.739 -0.792 25137 1154 1 2 . 1 1 82 82 HIS CB C 82 31.171 31.171 29.083 2.088 25137 1155 1 2 . 1 1 82 82 HIS H H 82 8.828 8.828 8.388 0.440 25137 1156 1 2 . 1 1 83 83 THR N N 83 114.001 114.001 116.125 -2.124 25137 1157 1 2 . 1 1 83 83 THR HA H 83 5.305 5.305 4.943 0.362 25137 1158 1 2 . 1 1 83 83 THR C C 83 172.800 172.800 174.808 -2.008 25137 1159 1 2 . 1 1 83 83 THR CA C 83 58.807 58.807 59.389 -0.582 25137 1160 1 2 . 1 1 83 83 THR CB C 83 69.366 69.366 70.575 -1.209 25137 1161 1 2 . 1 1 83 83 THR H H 83 7.252 7.252 7.535 -0.283 25137 1162 1 2 . 1 1 84 84 GLY N N 84 115.666 115.666 110.764 4.902 25137 1163 1 2 . 1 1 84 84 GLY C C 84 173.764 173.764 174.387 -0.623 25137 1164 1 2 . 1 1 84 84 GLY CA C 84 45.284 45.284 44.938 0.346 25137 1165 1 2 . 1 1 84 84 GLY H H 84 8.483 8.483 9.049 -0.566 25137 1166 1 2 . 1 1 85 85 ASP N N 85 123.490 123.490 122.465 1.025 25137 1167 1 2 . 1 1 85 85 ASP HA H 85 4.982 4.982 4.967 0.015 25137 1168 1 2 . 1 1 85 85 ASP C C 85 175.829 175.829 175.718 0.111 25137 1169 1 2 . 1 1 85 85 ASP CA C 85 53.420 53.420 53.724 -0.304 25137 1170 1 2 . 1 1 85 85 ASP CB C 85 41.560 41.560 41.159 0.401 25137 1171 1 2 . 1 1 85 85 ASP H H 85 8.510 8.510 7.977 0.533 25137 1172 1 2 . 1 1 86 86 LEU N N 86 122.010 122.010 121.580 0.430 25137 1173 1 2 . 1 1 86 86 LEU HA H 86 3.997 3.997 4.113 -0.116 25137 1174 1 2 . 1 1 86 86 LEU C C 86 178.242 178.242 178.333 -0.091 25137 1175 1 2 . 1 1 86 86 LEU CA C 86 57.410 57.410 58.527 -1.117 25137 1176 1 2 . 1 1 86 86 LEU CB C 86 42.000 42.000 42.219 -0.219 25137 1177 1 2 . 1 1 86 86 LEU H H 86 8.210 8.210 8.088 0.122 25137 1178 1 2 . 1 1 87 87 ASP N N 87 117.260 117.260 117.066 0.194 25137 1179 1 2 . 1 1 87 87 ASP HA H 87 4.535 4.535 4.457 0.078 25137 1180 1 2 . 1 1 87 87 ASP C C 87 178.351 178.351 178.482 -0.131 25137 1181 1 2 . 1 1 87 87 ASP CA C 87 56.010 56.010 57.516 -1.506 25137 1182 1 2 . 1 1 87 87 ASP CB C 87 41.400 41.400 40.309 1.091 25137 1183 1 2 . 1 1 87 87 ASP H H 87 8.290 8.290 8.786 -0.496 25137 1184 1 2 . 1 1 88 88 ARG N N 88 120.750 120.750 117.987 2.763 25137 1185 1 2 . 1 1 88 88 ARG HA H 88 4.015 4.015 4.153 -0.138 25137 1186 1 2 . 1 1 88 88 ARG C C 88 177.300 177.300 177.044 0.256 25137 1187 1 2 . 1 1 88 88 ARG CA C 88 58.340 58.340 57.458 0.882 25137 1188 1 2 . 1 1 88 88 ARG CB C 88 30.460 30.460 30.348 0.112 25137 1189 1 2 . 1 1 88 88 ARG H H 88 8.040 8.040 8.353 -0.313 25137 1190 1 2 . 1 1 89 89 HIS N N 89 115.580 115.580 116.332 -0.752 25137 1191 1 2 . 1 1 89 89 HIS HA H 89 5.026 5.026 4.809 0.217 25137 1192 1 2 . 1 1 89 89 HIS C C 89 175.670 175.670 175.086 0.584 25137 1193 1 2 . 1 1 89 89 HIS CA C 89 55.300 55.300 55.072 0.228 25137 1194 1 2 . 1 1 89 89 HIS CB C 89 29.890 29.890 30.840 -0.950 25137 1195 1 2 . 1 1 89 89 HIS H H 89 7.900 7.900 7.799 0.101 25137 1196 1 2 . 1 1 90 90 GLY N N 90 108.320 108.320 108.728 -0.408 25137 1197 1 2 . 1 1 90 90 GLY C C 90 175.880 175.880 175.467 0.413 25137 1198 1 2 . 1 1 90 90 GLY CA C 90 48.310 48.310 47.536 0.774 25137 1199 1 2 . 1 1 90 90 GLY H H 90 7.790 7.790 7.778 0.012 25137 1200 1 2 . 1 1 91 91 GLU N N 91 120.490 120.490 120.722 -0.232 25137 1201 1 2 . 1 1 91 91 GLU HA H 91 4.043 4.043 4.089 -0.046 25137 1202 1 2 . 1 1 91 91 GLU C C 91 178.410 178.410 178.599 -0.189 25137 1203 1 2 . 1 1 91 91 GLU CA C 91 59.200 59.200 59.282 -0.082 25137 1204 1 2 . 1 1 91 91 GLU CB C 91 29.240 29.240 28.630 0.610 25137 1205 1 2 . 1 1 91 91 GLU H H 91 8.580 8.580 8.330 0.250 25137 1206 1 2 . 1 1 92 92 LEU N N 92 121.740 121.740 121.086 0.654 25137 1207 1 2 . 1 1 92 92 LEU HA H 92 4.048 4.048 4.091 -0.043 25137 1208 1 2 . 1 1 92 92 LEU C C 92 178.630 178.630 178.398 0.232 25137 1209 1 2 . 1 1 92 92 LEU CA C 92 57.690 57.690 57.639 0.051 25137 1210 1 2 . 1 1 92 92 LEU CB C 92 41.820 41.820 41.722 0.098 25137 1211 1 2 . 1 1 92 92 LEU H H 92 7.690 7.690 7.792 -0.102 25137 1212 1 2 . 1 1 93 93 LEU N N 93 117.310 117.310 119.932 -2.622 25137 1213 1 2 . 1 1 93 93 LEU HA H 93 3.881 3.881 3.811 0.070 25137 1214 1 2 . 1 1 93 93 LEU C C 93 174.967 174.967 179.051 -4.084 25137 1215 1 2 . 1 1 93 93 LEU CA C 93 57.940 57.940 58.501 -0.561 25137 1216 1 2 . 1 1 93 93 LEU CB C 93 40.640 40.640 41.249 -0.609 25137 1217 1 2 . 1 1 93 93 LEU H H 93 8.160 8.160 8.716 -0.556 25137 1218 1 2 . 1 1 94 94 ARG N N 94 117.940 117.940 118.322 -0.382 25137 1219 1 2 . 1 1 94 94 ARG HA H 94 4.120 4.120 4.077 0.043 25137 1220 1 2 . 1 1 94 94 ARG C C 94 177.870 177.870 178.352 -0.482 25137 1221 1 2 . 1 1 94 94 ARG CA C 94 58.450 58.450 59.117 -0.667 25137 1222 1 2 . 1 1 94 94 ARG CB C 94 30.370 30.370 30.079 0.291 25137 1223 1 2 . 1 1 94 94 ARG H H 94 7.770 7.770 8.023 -0.253 25137 1224 1 2 . 1 1 95 95 LYS N N 95 118.380 118.380 118.564 -0.184 25137 1225 1 2 . 1 1 95 95 LYS HA H 95 4.160 4.160 4.155 0.005 25137 1226 1 2 . 1 1 95 95 LYS C C 95 177.730 177.730 178.431 -0.701 25137 1227 1 2 . 1 1 95 95 LYS CA C 95 57.600 57.600 58.867 -1.267 25137 1228 1 2 . 1 1 95 95 LYS CB C 95 32.770 32.770 32.875 -0.105 25137 1229 1 2 . 1 1 95 95 LYS H H 95 7.640 7.640 7.481 0.159 25137 1230 1 2 . 1 1 96 96 ILE N N 96 120.160 120.160 118.475 1.685 25137 1231 1 2 . 1 1 96 96 ILE HA H 96 3.781 3.781 3.870 -0.089 25137 1232 1 2 . 1 1 96 96 ILE C C 96 175.840 175.840 175.403 0.437 25137 1233 1 2 . 1 1 96 96 ILE CA C 96 63.720 63.720 64.375 -0.655 25137 1234 1 2 . 1 1 96 96 ILE CB C 96 38.670 38.670 38.856 -0.186 25137 1235 1 2 . 1 1 96 96 ILE H H 96 7.980 7.980 7.937 0.043 25137 1236 1 2 . 1 1 97 97 ASP N N 97 120.510 120.510 118.814 1.696 25137 1237 1 2 . 1 1 97 97 ASP HA H 97 4.380 4.380 4.223 0.157 25137 1238 1 2 . 1 1 97 97 ASP C C 97 173.580 173.580 173.880 -0.300 25137 1239 1 2 . 1 1 97 97 ASP CA C 97 54.300 54.300 55.175 -0.875 25137 1240 1 2 . 1 1 97 97 ASP CB C 97 39.490 39.490 40.085 -0.595 25137 1241 1 2 . 1 1 97 97 ASP H H 97 8.160 8.160 8.346 -0.186 25137 1242 1 2 . 1 1 98 98 ALA N N 98 123.800 123.800 123.292 0.508 25137 1243 1 2 . 1 1 98 98 ALA HA H 98 4.550 4.550 4.510 0.040 25137 1244 1 2 . 1 1 98 98 ALA CA C 98 49.860 49.860 50.814 -0.954 25137 1245 1 2 . 1 1 98 98 ALA CB C 98 21.070 21.070 20.211 0.859 25137 1246 1 2 . 1 1 98 98 ALA H H 98 7.680 7.680 8.090 -0.410 25137 1247 1 2 . 1 1 99 99 PRO HA H 99 4.370 4.370 4.469 -0.099 25137 1248 1 2 . 1 1 99 99 PRO C C 99 174.760 174.760 175.472 -0.712 25137 1249 1 2 . 1 1 99 99 PRO CA C 99 62.950 62.950 63.423 -0.473 25137 1250 1 2 . 1 1 99 99 PRO CB C 99 32.310 32.310 32.138 0.172 25137 1251 1 2 . 1 1 100 100 VAL N N 100 120.490 120.490 121.022 -0.532 25137 1252 1 2 . 1 1 100 100 VAL HA H 100 4.832 4.832 4.704 0.128 25137 1253 1 2 . 1 1 100 100 VAL C C 100 176.650 176.650 175.423 1.227 25137 1254 1 2 . 1 1 100 100 VAL CA C 100 60.450 60.450 61.368 -0.918 25137 1255 1 2 . 1 1 100 100 VAL CB C 100 34.830 34.830 34.728 0.102 25137 1256 1 2 . 1 1 100 100 VAL H H 100 8.270 8.270 8.196 0.074 25137 1257 1 2 . 1 1 101 101 MET N N 101 127.420 127.420 126.257 1.163 25137 1258 1 2 . 1 1 101 101 MET HA H 101 4.705 4.705 4.703 0.002 25137 1259 1 2 . 1 1 101 101 MET C C 101 174.490 174.490 174.898 -0.408 25137 1260 1 2 . 1 1 101 101 MET CA C 101 54.730 54.730 53.156 1.574 25137 1261 1 2 . 1 1 101 101 MET CB C 101 34.560 34.560 32.754 1.806 25137 1262 1 2 . 1 1 101 101 MET H H 101 9.240 9.240 9.097 0.143 25137 1263 1 2 . 1 1 102 102 ALA N N 102 128.590 128.590 128.585 0.005 25137 1264 1 2 . 1 1 102 102 ALA HA H 102 4.608 4.608 4.898 -0.290 25137 1265 1 2 . 1 1 102 102 ALA C C 102 177.935 177.935 176.897 1.038 25137 1266 1 2 . 1 1 102 102 ALA CA C 102 51.930 51.930 51.862 0.068 25137 1267 1 2 . 1 1 102 102 ALA CB C 102 19.040 19.040 19.663 -0.623 25137 1268 1 2 . 1 1 102 102 ALA H H 102 8.760 8.760 8.589 0.171 25137 1269 1 2 . 1 1 103 103 LYS N N 103 120.200 120.200 124.399 -4.199 25137 1270 1 2 . 1 1 103 103 LYS HA H 103 4.284 4.284 5.049 -0.765 25137 1271 1 2 . 1 1 103 103 LYS CA C 103 54.370 54.370 53.855 0.515 25137 1272 1 2 . 1 1 103 103 LYS CB C 103 34.190 34.190 32.243 1.947 25137 1273 1 2 . 1 1 103 103 LYS H H 103 7.300 7.300 8.460 -1.160 25137 1274 1 2 . 1 1 104 104 PRO HA H 104 4.611 4.611 4.453 0.158 25137 1275 1 2 . 1 1 104 104 PRO C C 104 174.980 174.980 175.749 -0.769 25137 1276 1 2 . 1 1 104 104 PRO CA C 104 62.626 62.626 63.437 -0.811 25137 1277 1 2 . 1 1 104 104 PRO CB C 104 33.867 33.867 31.725 2.142 25137 1278 1 2 . 1 1 105 105 ALA N N 105 125.082 125.082 126.572 -1.490 25137 1279 1 2 . 1 1 105 105 ALA HA H 105 4.576 4.576 4.497 0.079 25137 1280 1 2 . 1 1 105 105 ALA C C 105 176.890 176.890 175.904 0.986 25137 1281 1 2 . 1 1 105 105 ALA CA C 105 51.177 51.177 50.879 0.298 25137 1282 1 2 . 1 1 105 105 ALA CB C 105 21.735 21.735 21.590 0.145 25137 1283 1 2 . 1 1 105 105 ALA H H 105 8.668 8.668 8.279 0.389 25137 1284 1 2 . 1 1 106 106 ASP N N 106 122.306 122.306 124.047 -1.741 25137 1285 1 2 . 1 1 106 106 ASP HA H 106 4.636 4.636 4.591 0.045 25137 1286 1 2 . 1 1 106 106 ASP C C 106 178.383 178.383 177.438 0.945 25137 1287 1 2 . 1 1 106 106 ASP CA C 106 54.312 54.312 54.309 0.003 25137 1288 1 2 . 1 1 106 106 ASP CB C 106 41.260 41.260 42.242 -0.982 25137 1289 1 2 . 1 1 106 106 ASP H H 106 8.867 8.867 8.467 0.400 25137 1290 1 2 . 1 1 107 107 THR N N 107 119.540 119.540 117.859 1.681 25137 1291 1 2 . 1 1 107 107 THR HA H 107 3.573 3.573 4.052 -0.479 25137 1292 1 2 . 1 1 107 107 THR C C 107 176.393 176.393 176.199 0.194 25137 1293 1 2 . 1 1 107 107 THR CA C 107 65.940 65.940 64.917 1.023 25137 1294 1 2 . 1 1 107 107 THR CB C 107 68.191 68.191 68.957 -0.766 25137 1295 1 2 . 1 1 107 107 THR H H 107 8.658 8.658 8.467 0.191 25137 1296 1 2 . 1 1 108 108 SER N N 108 117.095 117.095 117.687 -0.592 25137 1297 1 2 . 1 1 108 108 SER HA H 108 4.140 4.140 4.049 0.091 25137 1298 1 2 . 1 1 108 108 SER C C 108 176.143 176.143 176.161 -0.018 25137 1299 1 2 . 1 1 108 108 SER CA C 108 61.650 61.650 62.706 -1.056 25137 1300 1 2 . 1 1 108 108 SER CB C 108 62.450 62.450 62.619 -0.169 25137 1301 1 2 . 1 1 108 108 SER H H 108 8.480 8.480 8.220 0.260 25137 1302 1 2 . 1 1 109 109 ASP N N 109 122.520 122.520 122.480 0.040 25137 1303 1 2 . 1 1 109 109 ASP HA H 109 4.400 4.400 4.437 -0.037 25137 1304 1 2 . 1 1 109 109 ASP C C 109 178.499 178.499 178.317 0.182 25137 1305 1 2 . 1 1 109 109 ASP CA C 109 56.990 56.990 57.289 -0.299 25137 1306 1 2 . 1 1 109 109 ASP CB C 109 40.560 40.560 40.742 -0.181 25137 1307 1 2 . 1 1 109 109 ASP H H 109 7.350 7.350 7.777 -0.427 25137 1308 1 2 . 1 1 110 110 VAL N N 110 120.210 120.210 119.785 0.425 25137 1309 1 2 . 1 1 110 110 VAL HA H 110 3.262 3.262 3.609 -0.347 25137 1310 1 2 . 1 1 110 110 VAL C C 110 176.535 176.535 177.926 -1.391 25137 1311 1 2 . 1 1 110 110 VAL CA C 110 66.090 66.090 65.915 0.175 25137 1312 1 2 . 1 1 110 110 VAL CB C 110 31.400 31.400 30.733 0.667 25137 1313 1 2 . 1 1 110 110 VAL H H 110 7.440 7.440 7.999 -0.559 25137 1314 1 2 . 1 1 111 111 ALA N N 111 118.790 118.790 121.940 -3.150 25137 1315 1 2 . 1 1 111 111 ALA HA H 111 3.264 3.264 2.660 0.604 25137 1316 1 2 . 1 1 111 111 ALA C C 111 179.030 179.030 179.273 -0.243 25137 1317 1 2 . 1 1 111 111 ALA CA C 111 54.590 54.590 54.807 -0.217 25137 1318 1 2 . 1 1 111 111 ALA CB C 111 16.480 16.480 17.470 -0.990 25137 1319 1 2 . 1 1 111 111 ALA H H 111 7.610 7.610 8.030 -0.420 25137 1320 1 2 . 1 1 112 112 LYS N N 112 115.540 115.540 118.734 -3.194 25137 1321 1 2 . 1 1 112 112 LYS HA H 112 3.750 3.750 3.864 -0.114 25137 1322 1 2 . 1 1 112 112 LYS C C 112 179.470 179.470 179.198 0.272 25137 1323 1 2 . 1 1 112 112 LYS CA C 112 60.020 60.020 59.689 0.331 25137 1324 1 2 . 1 1 112 112 LYS CB C 112 32.680 32.680 32.249 0.431 25137 1325 1 2 . 1 1 112 112 LYS H H 112 7.840 7.840 7.941 -0.101 25137 1326 1 2 . 1 1 113 113 ARG N N 113 118.590 118.590 118.755 -0.165 25137 1327 1 2 . 1 1 113 113 ARG HA H 113 4.021 4.021 3.978 0.043 25137 1328 1 2 . 1 1 113 113 ARG C C 113 179.120 179.120 178.779 0.341 25137 1329 1 2 . 1 1 113 113 ARG CA C 113 58.180 58.180 58.790 -0.610 25137 1330 1 2 . 1 1 113 113 ARG CB C 113 29.530 29.530 29.329 0.201 25137 1331 1 2 . 1 1 113 113 ARG H H 113 7.860 7.860 7.787 0.073 25137 1332 1 2 . 1 1 114 114 ALA N N 114 120.520 120.520 121.733 -1.213 25137 1333 1 2 . 1 1 114 114 ALA HA H 114 4.046 4.046 4.179 -0.133 25137 1334 1 2 . 1 1 114 114 ALA C C 114 179.280 179.280 179.738 -0.458 25137 1335 1 2 . 1 1 114 114 ALA CA C 114 55.070 55.070 55.066 0.004 25137 1336 1 2 . 1 1 114 114 ALA CB C 114 17.920 17.920 18.746 -0.826 25137 1337 1 2 . 1 1 114 114 ALA H H 114 8.190 8.190 7.693 0.497 25137 1338 1 2 . 1 1 115 115 LEU N N 115 115.820 115.820 118.249 -2.429 25137 1339 1 2 . 1 1 115 115 LEU HA H 115 4.225 4.225 4.023 0.202 25137 1340 1 2 . 1 1 115 115 LEU C C 115 180.490 180.490 179.347 1.143 25137 1341 1 2 . 1 1 115 115 LEU CA C 115 57.600 57.600 57.599 0.001 25137 1342 1 2 . 1 1 115 115 LEU CB C 115 40.590 40.590 41.476 -0.886 25137 1343 1 2 . 1 1 115 115 LEU H H 115 8.320 8.320 8.364 -0.044 25137 1344 1 2 . 1 1 116 116 GLU N N 116 119.789 119.789 119.731 0.058 25137 1345 1 2 . 1 1 116 116 GLU HA H 116 4.109 4.109 4.025 0.084 25137 1346 1 2 . 1 1 116 116 GLU C C 116 178.790 178.790 179.312 -0.522 25137 1347 1 2 . 1 1 116 116 GLU CA C 116 58.625 58.625 59.325 -0.700 25137 1348 1 2 . 1 1 116 116 GLU CB C 116 29.548 29.548 29.222 0.326 25137 1349 1 2 . 1 1 116 116 GLU H H 116 7.904 7.904 8.570 -0.666 25137 1350 1 2 . 1 1 117 117 MET N N 117 116.426 116.426 117.246 -0.820 25137 1351 1 2 . 1 1 117 117 MET HA H 117 4.245 4.245 4.243 0.002 25137 1352 1 2 . 1 1 117 117 MET C C 117 176.890 176.890 178.232 -1.342 25137 1353 1 2 . 1 1 117 117 MET CA C 117 57.638 57.638 58.120 -0.481 25137 1354 1 2 . 1 1 117 117 MET CB C 117 33.467 33.467 32.749 0.718 25137 1355 1 2 . 1 1 117 117 MET H H 117 7.712 7.712 7.682 0.030 25137 1356 1 2 . 1 1 118 118 CYS N N 118 113.993 113.993 117.977 -3.984 25137 1357 1 2 . 1 1 118 118 CYS HA H 118 4.699 4.699 4.298 0.401 25137 1358 1 2 . 1 1 118 118 CYS C C 118 174.750 174.750 175.530 -0.780 25137 1359 1 2 . 1 1 118 118 CYS CA C 118 58.541 58.541 59.992 -1.452 25137 1360 1 2 . 1 1 118 118 CYS CB C 118 28.552 28.552 29.985 -1.433 25137 1361 1 2 . 1 1 118 118 CYS H H 118 7.428 7.428 7.509 -0.081 25137 1362 1 2 . 1 1 119 119 GLY N N 119 109.823 109.823 107.490 2.333 25137 1363 1 2 . 1 1 119 119 GLY C C 119 174.660 174.660 173.821 0.839 25137 1364 1 2 . 1 1 119 119 GLY CA C 119 45.709 45.709 44.828 0.881 25137 1365 1 2 . 1 1 119 119 GLY H H 119 8.056 8.056 8.033 0.023 25137 1366 1 2 . 1 1 120 120 GLY N N 120 108.821 108.821 109.562 -0.741 25137 1367 1 2 . 1 1 120 120 GLY C C 120 173.790 173.790 174.191 -0.401 25137 1368 1 2 . 1 1 120 120 GLY CA C 120 45.326 45.326 45.955 -0.629 25137 1369 1 2 . 1 1 120 120 GLY H H 120 8.301 8.301 7.841 0.460 25137 1370 1 2 . 1 1 121 121 ASP N N 121 120.383 120.383 117.341 3.042 25137 1371 1 2 . 1 1 121 121 ASP HA H 121 4.591 4.591 4.667 -0.076 25137 1372 1 2 . 1 1 121 121 ASP C C 121 176.160 176.160 175.121 1.039 25137 1373 1 2 . 1 1 121 121 ASP CA C 121 54.313 54.313 53.413 0.900 25137 1374 1 2 . 1 1 121 121 ASP CB C 121 41.079 41.079 41.079 -0.000 25137 1375 1 2 . 1 1 121 121 ASP H H 121 8.438 8.438 8.468 -0.030 25137 1376 1 2 . 1 1 122 122 LYS N N 122 121.450 121.450 121.442 0.008 25137 1377 1 2 . 1 1 122 122 LYS HA H 122 4.350 4.350 4.503 -0.153 25137 1378 1 2 . 1 1 122 122 LYS C C 122 177.184 177.184 175.558 1.626 25137 1379 1 2 . 1 1 122 122 LYS CA C 122 55.890 55.890 56.054 -0.164 25137 1380 1 2 . 1 1 122 122 LYS CB C 122 33.190 33.190 33.911 -0.721 25137 1381 1 2 . 1 1 122 122 LYS H H 122 8.258 8.258 7.975 0.283 25137 1382 1 2 . 1 1 123 123 GLU N N 123 123.560 123.560 127.149 -3.589 25137 1383 1 2 . 1 1 123 123 GLU HA H 123 4.550 4.550 4.544 0.006 25137 1384 1 2 . 1 1 123 123 GLU CA C 123 54.470 54.470 54.076 0.394 25137 1385 1 2 . 1 1 123 123 GLU CB C 123 29.640 29.640 29.186 0.455 25137 1386 1 2 . 1 1 123 123 GLU H H 123 8.420 8.420 8.562 -0.142 25137 1387 1 2 . 1 1 124 124 PRO HA H 124 4.384 4.384 4.422 -0.038 25137 1388 1 2 . 1 1 124 124 PRO C C 124 175.770 175.770 176.035 -0.265 25137 1389 1 2 . 1 1 124 124 PRO CA C 124 63.350 63.350 62.833 0.517 25137 1390 1 2 . 1 1 124 124 PRO CB C 124 32.300 32.300 32.374 -0.074 25137 1391 1 3 . 1 1 2 2 ALA N N 2 123.423 123.423 122.662 0.761 25137 1392 1 3 . 1 1 2 2 ALA HA H 2 4.357 4.357 4.698 -0.341 25137 1393 1 3 . 1 1 2 2 ALA C C 2 177.811 177.811 176.762 1.049 25137 1394 1 3 . 1 1 2 2 ALA CA C 2 52.652 52.652 51.723 0.929 25137 1395 1 3 . 1 1 2 2 ALA CB C 2 19.488 19.488 18.462 1.026 25137 1396 1 3 . 1 1 2 2 ALA H H 2 7.983 7.983 8.246 -0.263 25137 1397 1 3 . 1 1 3 3 MET N N 3 119.390 119.390 119.996 -0.606 25137 1398 1 3 . 1 1 3 3 MET HA H 3 4.482 4.482 4.488 -0.006 25137 1399 1 3 . 1 1 3 3 MET C C 3 176.569 176.569 177.365 -0.796 25137 1400 1 3 . 1 1 3 3 MET CA C 3 55.570 55.570 55.356 0.214 25137 1401 1 3 . 1 1 3 3 MET CB C 3 32.900 32.900 33.795 -0.895 25137 1402 1 3 . 1 1 3 3 MET H H 3 8.570 8.570 8.019 0.551 25137 1403 1 3 . 1 1 4 4 GLY N N 4 110.130 110.130 110.138 -0.008 25137 1404 1 3 . 1 1 4 4 GLY C C 4 173.630 173.630 174.691 -1.061 25137 1405 1 3 . 1 1 4 4 GLY CA C 4 45.270 45.270 46.194 -0.924 25137 1406 1 3 . 1 1 4 4 GLY H H 4 8.370 8.370 8.463 -0.093 25137 1407 1 3 . 1 1 5 5 MET N N 5 121.570 121.570 121.570 0.000 25137 1408 1 3 . 1 1 5 5 MET HA H 5 4.780 4.780 4.963 -0.183 25137 1409 1 3 . 1 1 5 5 MET CA C 5 53.630 53.630 53.572 0.058 25137 1410 1 3 . 1 1 5 5 MET CB C 5 33.140 33.140 33.765 -0.625 25137 1411 1 3 . 1 1 5 5 MET H H 5 8.210 8.210 7.857 0.353 25137 1412 1 3 . 1 1 6 6 PRO HA H 6 4.505 4.505 4.459 0.046 25137 1413 1 3 . 1 1 6 6 PRO C C 6 174.520 174.520 175.821 -1.301 25137 1414 1 3 . 1 1 6 6 PRO CA C 6 62.980 62.980 62.466 0.514 25137 1415 1 3 . 1 1 6 6 PRO CB C 6 32.400 32.400 32.219 0.181 25137 1416 1 3 . 1 1 7 7 LYS N N 7 123.443 123.443 126.471 -3.028 25137 1417 1 3 . 1 1 7 7 LYS HA H 7 5.000 5.000 4.706 0.294 25137 1418 1 3 . 1 1 7 7 LYS C C 7 175.920 175.920 176.025 -0.105 25137 1419 1 3 . 1 1 7 7 LYS CA C 7 54.911 54.911 55.294 -0.383 25137 1420 1 3 . 1 1 7 7 LYS CB C 7 33.635 33.635 32.438 1.197 25137 1421 1 3 . 1 1 7 7 LYS H H 7 9.675 9.675 9.532 0.143 25137 1422 1 3 . 1 1 8 8 VAL N N 8 125.859 125.859 127.599 -1.740 25137 1423 1 3 . 1 1 8 8 VAL HA H 8 4.723 4.723 5.087 -0.364 25137 1424 1 3 . 1 1 8 8 VAL C C 8 174.630 174.630 174.197 0.433 25137 1425 1 3 . 1 1 8 8 VAL CA C 8 59.726 59.726 60.299 -0.573 25137 1426 1 3 . 1 1 8 8 VAL CB C 8 34.991 34.991 32.989 2.002 25137 1427 1 3 . 1 1 8 8 VAL H H 8 8.851 8.851 9.077 -0.226 25137 1428 1 3 . 1 1 9 9 LEU N N 9 127.114 127.114 130.200 -3.086 25137 1429 1 3 . 1 1 9 9 LEU HA H 9 5.190 5.190 4.902 0.288 25137 1430 1 3 . 1 1 9 9 LEU C C 9 174.090 174.090 174.744 -0.654 25137 1431 1 3 . 1 1 9 9 LEU CA C 9 53.090 53.090 53.069 0.021 25137 1432 1 3 . 1 1 9 9 LEU CB C 9 45.007 45.007 43.948 1.059 25137 1433 1 3 . 1 1 9 9 LEU H H 9 7.881 7.881 8.605 -0.724 25137 1434 1 3 . 1 1 10 10 VAL N N 10 128.024 128.024 128.746 -0.722 25137 1435 1 3 . 1 1 10 10 VAL HA H 10 4.647 4.647 4.527 0.120 25137 1436 1 3 . 1 1 10 10 VAL C C 10 172.900 172.900 174.191 -1.291 25137 1437 1 3 . 1 1 10 10 VAL CA C 10 61.206 61.206 62.146 -0.940 25137 1438 1 3 . 1 1 10 10 VAL CB C 10 34.541 34.541 32.732 1.809 25137 1439 1 3 . 1 1 10 10 VAL H H 10 8.952 8.952 9.283 -0.331 25137 1440 1 3 . 1 1 11 11 LEU N N 11 128.979 128.979 130.047 -1.068 25137 1441 1 3 . 1 1 11 11 LEU HA H 11 5.504 5.504 5.332 0.172 25137 1442 1 3 . 1 1 11 11 LEU C C 11 174.450 174.450 175.403 -0.953 25137 1443 1 3 . 1 1 11 11 LEU CA C 11 52.328 52.328 53.181 -0.853 25137 1444 1 3 . 1 1 11 11 LEU CB C 11 45.000 45.000 41.529 3.471 25137 1445 1 3 . 1 1 11 11 LEU H H 11 8.433 8.433 9.194 -0.761 25137 1446 1 3 . 1 1 12 12 GLU N N 12 128.158 128.158 125.361 2.797 25137 1447 1 3 . 1 1 12 12 GLU HA H 12 4.294 4.294 4.554 -0.260 25137 1448 1 3 . 1 1 12 12 GLU C C 12 173.120 173.120 174.493 -1.373 25137 1449 1 3 . 1 1 12 12 GLU CA C 12 56.964 56.964 56.187 0.777 25137 1450 1 3 . 1 1 12 12 GLU CB C 12 32.201 32.201 32.990 -0.789 25137 1451 1 3 . 1 1 12 12 GLU H H 12 8.532 8.532 8.738 -0.206 25137 1452 1 3 . 1 1 13 13 ASP N N 13 123.077 123.077 125.244 -2.167 25137 1453 1 3 . 1 1 13 13 ASP HA H 13 4.659 4.659 4.546 0.113 25137 1454 1 3 . 1 1 13 13 ASP C C 13 176.090 176.090 176.887 -0.797 25137 1455 1 3 . 1 1 13 13 ASP CA C 13 55.140 55.140 55.526 -0.386 25137 1456 1 3 . 1 1 13 13 ASP CB C 13 40.524 40.524 41.776 -1.252 25137 1457 1 3 . 1 1 13 13 ASP H H 13 8.803 8.803 8.721 0.082 25137 1458 1 3 . 1 1 14 14 GLU N N 14 126.685 126.685 120.720 5.965 25137 1459 1 3 . 1 1 14 14 GLU HA H 14 4.809 4.809 4.594 0.215 25137 1460 1 3 . 1 1 14 14 GLU CA C 14 54.574 54.574 54.205 0.369 25137 1461 1 3 . 1 1 14 14 GLU CB C 14 29.310 29.310 29.131 0.179 25137 1462 1 3 . 1 1 14 14 GLU H H 14 10.077 10.077 8.499 1.578 25137 1463 1 3 . 1 1 15 15 PRO HA H 15 4.273 4.273 4.267 0.006 25137 1464 1 3 . 1 1 15 15 PRO C C 15 179.110 179.110 178.509 0.601 25137 1465 1 3 . 1 1 15 15 PRO CA C 15 65.472 65.472 65.785 -0.313 25137 1466 1 3 . 1 1 15 15 PRO CB C 15 32.462 32.462 31.889 0.573 25137 1467 1 3 . 1 1 16 16 LEU N N 16 118.358 118.358 119.489 -1.131 25137 1468 1 3 . 1 1 16 16 LEU HA H 16 4.131 4.131 4.167 -0.036 25137 1469 1 3 . 1 1 16 16 LEU C C 16 179.260 179.260 178.580 0.680 25137 1470 1 3 . 1 1 16 16 LEU CA C 16 58.306 58.306 57.766 0.540 25137 1471 1 3 . 1 1 16 16 LEU CB C 16 41.731 41.731 41.462 0.269 25137 1472 1 3 . 1 1 16 16 LEU H H 16 8.851 8.851 8.035 0.816 25137 1473 1 3 . 1 1 17 17 ILE N N 17 117.680 117.680 119.096 -1.416 25137 1474 1 3 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.582 0.250 25137 1475 1 3 . 1 1 17 17 ILE C C 17 178.230 178.230 177.833 0.397 25137 1476 1 3 . 1 1 17 17 ILE CA C 17 63.344 63.344 65.003 -1.659 25137 1477 1 3 . 1 1 17 17 ILE CB C 17 36.564 36.564 37.385 -0.821 25137 1478 1 3 . 1 1 17 17 ILE H H 17 6.886 6.886 7.980 -1.094 25137 1479 1 3 . 1 1 18 18 ALA N N 18 122.321 122.321 123.109 -0.788 25137 1480 1 3 . 1 1 18 18 ALA HA H 18 3.720 3.720 3.921 -0.201 25137 1481 1 3 . 1 1 18 18 ALA C C 18 178.900 178.900 179.415 -0.515 25137 1482 1 3 . 1 1 18 18 ALA CA C 18 55.890 55.890 55.436 0.454 25137 1483 1 3 . 1 1 18 18 ALA CB C 18 18.165 18.165 18.260 -0.095 25137 1484 1 3 . 1 1 18 18 ALA H H 18 7.988 7.988 8.662 -0.674 25137 1485 1 3 . 1 1 19 19 MET N N 19 115.807 115.807 117.869 -2.062 25137 1486 1 3 . 1 1 19 19 MET HA H 19 3.999 3.999 4.089 -0.090 25137 1487 1 3 . 1 1 19 19 MET C C 19 177.180 177.180 178.365 -1.185 25137 1488 1 3 . 1 1 19 19 MET CA C 19 58.144 58.144 59.202 -1.058 25137 1489 1 3 . 1 1 19 19 MET CB C 19 32.852 32.852 32.747 0.105 25137 1490 1 3 . 1 1 19 19 MET H H 19 8.204 8.204 8.625 -0.421 25137 1491 1 3 . 1 1 20 20 ASN N N 20 117.843 117.843 119.407 -1.564 25137 1492 1 3 . 1 1 20 20 ASN HA H 20 4.545 4.545 4.659 -0.114 25137 1493 1 3 . 1 1 20 20 ASN C C 20 179.590 179.590 178.349 1.241 25137 1494 1 3 . 1 1 20 20 ASN CA C 20 56.222 56.222 56.416 -0.194 25137 1495 1 3 . 1 1 20 20 ASN CB C 20 38.005 38.005 38.483 -0.478 25137 1496 1 3 . 1 1 20 20 ASN H H 20 7.839 7.839 8.206 -0.367 25137 1497 1 3 . 1 1 21 21 LEU N N 21 121.749 121.749 121.480 0.269 25137 1498 1 3 . 1 1 21 21 LEU HA H 21 4.055 4.055 4.087 -0.032 25137 1499 1 3 . 1 1 21 21 LEU C C 21 177.750 177.750 178.700 -0.950 25137 1500 1 3 . 1 1 21 21 LEU CA C 21 58.268 58.268 58.474 -0.206 25137 1501 1 3 . 1 1 21 21 LEU CB C 21 42.605 42.605 41.941 0.663 25137 1502 1 3 . 1 1 21 21 LEU H H 21 8.601 8.601 8.748 -0.147 25137 1503 1 3 . 1 1 22 22 GLN N N 22 120.991 120.991 119.565 1.426 25137 1504 1 3 . 1 1 22 22 GLN HA H 22 3.935 3.935 3.984 -0.049 25137 1505 1 3 . 1 1 22 22 GLN C C 22 178.070 178.070 178.499 -0.429 25137 1506 1 3 . 1 1 22 22 GLN CA C 22 60.463 60.463 59.542 0.921 25137 1507 1 3 . 1 1 22 22 GLN CB C 22 26.902 26.902 28.608 -1.706 25137 1508 1 3 . 1 1 22 22 GLN H H 22 8.749 8.749 8.290 0.459 25137 1509 1 3 . 1 1 23 23 TYR N N 23 117.446 117.446 119.122 -1.676 25137 1510 1 3 . 1 1 23 23 TYR HA H 23 4.517 4.517 4.340 0.177 25137 1511 1 3 . 1 1 23 23 TYR C C 23 178.210 178.210 178.319 -0.109 25137 1512 1 3 . 1 1 23 23 TYR CA C 23 59.425 59.425 61.524 -2.099 25137 1513 1 3 . 1 1 23 23 TYR CB C 23 36.975 36.975 38.103 -1.128 25137 1514 1 3 . 1 1 23 23 TYR H H 23 8.450 8.450 8.666 -0.216 25137 1515 1 3 . 1 1 24 24 ALA N N 24 121.627 121.627 122.335 -0.708 25137 1516 1 3 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.002 0.098 25137 1517 1 3 . 1 1 24 24 ALA C C 24 180.910 180.910 179.227 1.683 25137 1518 1 3 . 1 1 24 24 ALA CA C 24 55.060 55.060 54.896 0.164 25137 1519 1 3 . 1 1 24 24 ALA CB C 24 18.070 18.070 18.162 -0.092 25137 1520 1 3 . 1 1 24 24 ALA H H 24 7.765 7.765 7.863 -0.098 25137 1521 1 3 . 1 1 25 25 PHE N N 25 115.589 115.589 117.869 -2.280 25137 1522 1 3 . 1 1 25 25 PHE HA H 25 3.940 3.940 4.111 -0.171 25137 1523 1 3 . 1 1 25 25 PHE C C 25 179.090 179.090 178.466 0.624 25137 1524 1 3 . 1 1 25 25 PHE CA C 25 63.453 63.453 62.601 0.852 25137 1525 1 3 . 1 1 25 25 PHE CB C 25 39.484 39.484 38.847 0.637 25137 1526 1 3 . 1 1 25 25 PHE H H 25 8.348 8.348 8.577 -0.229 25137 1527 1 3 . 1 1 26 26 GLU N N 26 121.198 121.198 119.339 1.859 25137 1528 1 3 . 1 1 26 26 GLU HA H 26 4.429 4.429 4.284 0.145 25137 1529 1 3 . 1 1 26 26 GLU C C 26 181.680 181.680 178.669 3.011 25137 1530 1 3 . 1 1 26 26 GLU CA C 26 59.737 59.737 58.826 0.911 25137 1531 1 3 . 1 1 26 26 GLU CB C 26 28.925 28.925 29.424 -0.499 25137 1532 1 3 . 1 1 26 26 GLU H H 26 8.822 8.822 8.455 0.367 25137 1533 1 3 . 1 1 27 27 ASP N N 27 121.846 121.846 118.516 3.330 25137 1534 1 3 . 1 1 27 27 ASP HA H 27 4.468 4.468 4.487 -0.019 25137 1535 1 3 . 1 1 27 27 ASP C C 27 177.880 177.880 178.159 -0.279 25137 1536 1 3 . 1 1 27 27 ASP CA C 27 56.996 56.996 56.569 0.427 25137 1537 1 3 . 1 1 27 27 ASP CB C 27 40.640 40.640 41.049 -0.409 25137 1538 1 3 . 1 1 27 27 ASP H H 27 8.424 8.424 7.884 0.540 25137 1539 1 3 . 1 1 28 28 GLU N N 28 115.759 115.759 116.518 -0.759 25137 1540 1 3 . 1 1 28 28 GLU HA H 28 4.331 4.331 4.372 -0.041 25137 1541 1 3 . 1 1 28 28 GLU C C 28 176.460 176.460 177.025 -0.565 25137 1542 1 3 . 1 1 28 28 GLU CA C 28 55.395 55.395 56.341 -0.946 25137 1543 1 3 . 1 1 28 28 GLU CB C 28 30.264 30.264 30.217 0.047 25137 1544 1 3 . 1 1 28 28 GLU H H 28 7.170 7.170 7.677 -0.507 25137 1545 1 3 . 1 1 29 29 GLY N N 29 106.899 106.899 107.348 -0.449 25137 1546 1 3 . 1 1 29 29 GLY C C 29 173.160 173.160 172.902 0.258 25137 1547 1 3 . 1 1 29 29 GLY CA C 29 45.589 45.589 45.187 0.402 25137 1548 1 3 . 1 1 29 29 GLY H H 29 7.889 7.889 7.597 0.292 25137 1549 1 3 . 1 1 30 30 ALA N N 30 121.007 121.007 121.309 -0.302 25137 1550 1 3 . 1 1 30 30 ALA HA H 30 4.680 4.680 5.131 -0.451 25137 1551 1 3 . 1 1 30 30 ALA C C 30 175.880 175.880 175.084 0.796 25137 1552 1 3 . 1 1 30 30 ALA CA C 30 50.666 50.666 50.647 0.019 25137 1553 1 3 . 1 1 30 30 ALA CB C 30 21.882 21.882 22.263 -0.381 25137 1554 1 3 . 1 1 30 30 ALA H H 30 7.743 7.743 7.684 0.059 25137 1555 1 3 . 1 1 31 31 GLU N N 31 120.065 120.065 119.897 0.168 25137 1556 1 3 . 1 1 31 31 GLU HA H 31 4.664 4.664 4.762 -0.098 25137 1557 1 3 . 1 1 31 31 GLU C C 31 175.430 175.430 174.725 0.705 25137 1558 1 3 . 1 1 31 31 GLU CA C 31 55.136 55.136 54.416 0.720 25137 1559 1 3 . 1 1 31 31 GLU CB C 31 32.126 32.126 32.261 -0.135 25137 1560 1 3 . 1 1 31 31 GLU H H 31 8.595 8.595 8.483 0.112 25137 1561 1 3 . 1 1 32 32 VAL N N 32 123.414 123.414 125.649 -2.235 25137 1562 1 3 . 1 1 32 32 VAL HA H 32 4.787 4.787 4.638 0.149 25137 1563 1 3 . 1 1 32 32 VAL C C 32 175.290 175.290 175.781 -0.491 25137 1564 1 3 . 1 1 32 32 VAL CA C 32 60.802 60.802 60.360 0.442 25137 1565 1 3 . 1 1 32 32 VAL CB C 32 34.991 34.991 33.007 1.984 25137 1566 1 3 . 1 1 32 32 VAL H H 32 8.872 8.872 8.532 0.340 25137 1567 1 3 . 1 1 33 33 VAL N N 33 128.158 128.158 127.366 0.792 25137 1568 1 3 . 1 1 33 33 VAL HA H 33 4.226 4.226 4.316 -0.090 25137 1569 1 3 . 1 1 33 33 VAL C C 33 173.830 173.830 174.556 -0.726 25137 1570 1 3 . 1 1 33 33 VAL CA C 33 60.990 60.990 60.920 0.070 25137 1571 1 3 . 1 1 33 33 VAL CB C 33 33.736 33.736 33.990 -0.255 25137 1572 1 3 . 1 1 33 33 VAL H H 33 9.042 9.042 9.048 -0.006 25137 1573 1 3 . 1 1 34 34 VAL N N 34 126.239 126.239 126.681 -0.442 25137 1574 1 3 . 1 1 34 34 VAL HA H 34 4.751 4.751 4.588 0.163 25137 1575 1 3 . 1 1 34 34 VAL C C 34 175.100 175.100 175.024 0.076 25137 1576 1 3 . 1 1 34 34 VAL CA C 34 61.389 61.389 60.200 1.188 25137 1577 1 3 . 1 1 34 34 VAL CB C 34 33.193 33.193 32.587 0.606 25137 1578 1 3 . 1 1 34 34 VAL H H 34 8.522 8.522 8.538 -0.016 25137 1579 1 3 . 1 1 35 35 ALA N N 35 129.955 129.955 128.918 1.037 25137 1580 1 3 . 1 1 35 35 ALA HA H 35 4.682 4.682 4.720 -0.038 25137 1581 1 3 . 1 1 35 35 ALA C C 35 174.380 174.380 175.375 -0.995 25137 1582 1 3 . 1 1 35 35 ALA CA C 35 50.154 50.154 51.426 -1.272 25137 1583 1 3 . 1 1 35 35 ALA CB C 35 22.922 22.922 22.907 0.015 25137 1584 1 3 . 1 1 35 35 ALA H H 35 9.388 9.388 8.992 0.396 25137 1585 1 3 . 1 1 36 36 ALA N N 36 121.011 121.011 122.131 -1.120 25137 1586 1 3 . 1 1 36 36 ALA HA H 36 4.632 4.632 4.687 -0.055 25137 1587 1 3 . 1 1 36 36 ALA C C 36 176.490 176.490 176.121 0.369 25137 1588 1 3 . 1 1 36 36 ALA CA C 36 51.778 51.778 53.260 -1.482 25137 1589 1 3 . 1 1 36 36 ALA CB C 36 21.506 21.506 19.040 2.466 25137 1590 1 3 . 1 1 36 36 ALA H H 36 8.539 8.539 8.604 -0.065 25137 1591 1 3 . 1 1 37 37 THR N N 37 102.880 102.880 107.494 -4.614 25137 1592 1 3 . 1 1 37 37 THR HA H 37 4.620 4.620 4.462 0.158 25137 1593 1 3 . 1 1 37 37 THR C C 37 174.710 174.710 175.318 -0.608 25137 1594 1 3 . 1 1 37 37 THR CA C 37 57.520 57.520 59.748 -2.228 25137 1595 1 3 . 1 1 37 37 THR CB C 37 72.972 72.972 71.957 1.015 25137 1596 1 3 . 1 1 37 37 THR H H 37 7.019 7.019 7.311 -0.292 25137 1597 1 3 . 1 1 38 38 CYS N N 38 120.553 120.553 118.272 2.281 25137 1598 1 3 . 1 1 38 38 CYS HA H 38 3.677 3.677 4.170 -0.493 25137 1599 1 3 . 1 1 38 38 CYS C C 38 176.020 176.020 176.963 -0.943 25137 1600 1 3 . 1 1 38 38 CYS CA C 38 63.179 63.179 61.940 1.239 25137 1601 1 3 . 1 1 38 38 CYS CB C 38 26.317 26.317 27.747 -1.430 25137 1602 1 3 . 1 1 38 38 CYS H H 38 9.398 9.398 8.658 0.740 25137 1603 1 3 . 1 1 39 39 GLU N N 39 118.521 118.521 121.587 -3.066 25137 1604 1 3 . 1 1 39 39 GLU HA H 39 3.829 3.829 3.950 -0.121 25137 1605 1 3 . 1 1 39 39 GLU C C 39 179.470 179.470 179.017 0.453 25137 1606 1 3 . 1 1 39 39 GLU CA C 39 60.594 60.594 59.756 0.838 25137 1607 1 3 . 1 1 39 39 GLU CB C 39 28.963 28.963 29.216 -0.253 25137 1608 1 3 . 1 1 39 39 GLU H H 39 8.960 8.960 8.327 0.633 25137 1609 1 3 . 1 1 40 40 GLN N N 40 118.602 118.602 118.154 0.448 25137 1610 1 3 . 1 1 40 40 GLN HA H 40 4.021 4.021 4.019 0.002 25137 1611 1 3 . 1 1 40 40 GLN C C 40 176.211 176.211 178.288 -2.077 25137 1612 1 3 . 1 1 40 40 GLN CA C 40 58.306 58.306 58.713 -0.407 25137 1613 1 3 . 1 1 40 40 GLN CB C 40 28.925 28.925 28.000 0.925 25137 1614 1 3 . 1 1 40 40 GLN H H 40 7.855 7.855 8.202 -0.347 25137 1615 1 3 . 1 1 41 41 ALA N N 41 122.395 122.395 122.665 -0.270 25137 1616 1 3 . 1 1 41 41 ALA HA H 41 3.735 3.735 4.005 -0.270 25137 1617 1 3 . 1 1 41 41 ALA C C 41 178.440 178.440 179.410 -0.970 25137 1618 1 3 . 1 1 41 41 ALA CA C 41 55.178 55.178 55.031 0.147 25137 1619 1 3 . 1 1 41 41 ALA CB C 41 19.872 19.872 18.485 1.387 25137 1620 1 3 . 1 1 41 41 ALA H H 41 8.009 8.009 7.349 0.660 25137 1621 1 3 . 1 1 42 42 LEU N N 42 116.832 116.832 118.406 -1.574 25137 1622 1 3 . 1 1 42 42 LEU HA H 42 3.875 3.875 3.842 0.033 25137 1623 1 3 . 1 1 42 42 LEU C C 42 180.080 180.080 179.042 1.038 25137 1624 1 3 . 1 1 42 42 LEU CA C 42 58.011 58.011 57.499 0.512 25137 1625 1 3 . 1 1 42 42 LEU CB C 42 40.961 40.961 41.136 -0.175 25137 1626 1 3 . 1 1 42 42 LEU H H 42 8.497 8.497 8.719 -0.222 25137 1627 1 3 . 1 1 43 43 LYS N N 43 121.087 121.087 120.475 0.612 25137 1628 1 3 . 1 1 43 43 LYS HA H 43 4.065 4.065 3.890 0.175 25137 1629 1 3 . 1 1 43 43 LYS C C 43 178.500 178.500 178.646 -0.146 25137 1630 1 3 . 1 1 43 43 LYS CA C 43 59.256 59.256 59.905 -0.649 25137 1631 1 3 . 1 1 43 43 LYS CB C 43 32.295 32.295 32.271 0.024 25137 1632 1 3 . 1 1 43 43 LYS H H 43 7.593 7.593 8.110 -0.517 25137 1633 1 3 . 1 1 44 44 SER N N 44 115.150 115.150 114.737 0.413 25137 1634 1 3 . 1 1 44 44 SER HA H 44 4.130 4.130 4.307 -0.177 25137 1635 1 3 . 1 1 44 44 SER C C 44 176.430 176.430 177.068 -0.638 25137 1636 1 3 . 1 1 44 44 SER CA C 44 62.900 62.900 60.673 2.227 25137 1637 1 3 . 1 1 44 44 SER CB C 44 62.900 62.900 62.694 0.206 25137 1638 1 3 . 1 1 44 44 SER H H 44 8.100 8.100 7.692 0.408 25137 1639 1 3 . 1 1 45 45 LEU N N 45 120.050 120.050 123.700 -3.650 25137 1640 1 3 . 1 1 45 45 LEU HA H 45 4.121 4.121 4.108 0.013 25137 1641 1 3 . 1 1 45 45 LEU C C 45 177.260 177.260 177.393 -0.133 25137 1642 1 3 . 1 1 45 45 LEU CA C 45 56.770 56.770 57.221 -0.451 25137 1643 1 3 . 1 1 45 45 LEU CB C 45 42.389 42.389 41.166 1.223 25137 1644 1 3 . 1 1 45 45 LEU H H 45 8.050 8.050 8.257 -0.207 25137 1645 1 3 . 1 1 46 46 ALA N N 46 119.940 119.940 119.412 0.528 25137 1646 1 3 . 1 1 46 46 ALA HA H 46 4.093 4.093 4.171 -0.078 25137 1647 1 3 . 1 1 46 46 ALA C C 46 179.310 179.310 180.201 -0.891 25137 1648 1 3 . 1 1 46 46 ALA CA C 46 54.126 54.126 54.111 0.015 25137 1649 1 3 . 1 1 46 46 ALA CB C 46 18.412 18.412 18.974 -0.562 25137 1650 1 3 . 1 1 46 46 ALA H H 46 7.360 7.360 7.518 -0.158 25137 1651 1 3 . 1 1 47 47 ASP N N 47 115.277 115.277 118.786 -3.509 25137 1652 1 3 . 1 1 47 47 ASP HA H 47 4.610 4.610 4.489 0.121 25137 1653 1 3 . 1 1 47 47 ASP C C 47 175.930 175.930 176.488 -0.558 25137 1654 1 3 . 1 1 47 47 ASP CA C 47 55.087 55.087 56.027 -0.940 25137 1655 1 3 . 1 1 47 47 ASP CB C 47 42.364 42.364 41.576 0.788 25137 1656 1 3 . 1 1 47 47 ASP H H 47 7.583 7.583 8.646 -1.063 25137 1657 1 3 . 1 1 48 48 ASN N N 48 116.977 116.977 116.429 0.548 25137 1658 1 3 . 1 1 48 48 ASN HA H 48 5.219 5.219 5.117 0.102 25137 1659 1 3 . 1 1 48 48 ASN CA C 48 51.096 51.096 50.436 0.660 25137 1660 1 3 . 1 1 48 48 ASN CB C 48 42.381 42.381 39.935 2.446 25137 1661 1 3 . 1 1 48 48 ASN H H 48 7.727 7.727 7.760 -0.033 25137 1662 1 3 . 1 1 49 49 PRO HA H 49 4.551 4.551 4.555 -0.004 25137 1663 1 3 . 1 1 49 49 PRO C C 49 174.890 174.890 175.488 -0.598 25137 1664 1 3 . 1 1 49 49 PRO CA C 49 62.093 62.093 62.334 -0.241 25137 1665 1 3 . 1 1 49 49 PRO CB C 49 29.940 29.940 30.941 -1.001 25137 1666 1 3 . 1 1 50 50 ILE N N 50 122.280 122.280 123.862 -1.582 25137 1667 1 3 . 1 1 50 50 ILE HA H 50 3.908 3.908 3.896 0.012 25137 1668 1 3 . 1 1 50 50 ILE C C 50 174.840 174.840 176.046 -1.206 25137 1669 1 3 . 1 1 50 50 ILE CA C 50 58.580 58.580 61.039 -2.459 25137 1670 1 3 . 1 1 50 50 ILE CB C 50 38.850 38.850 36.898 1.952 25137 1671 1 3 . 1 1 50 50 ILE H H 50 7.420 7.420 7.768 -0.348 25137 1672 1 3 . 1 1 51 51 ASP N N 51 123.770 123.770 126.253 -2.483 25137 1673 1 3 . 1 1 51 51 ASP HA H 51 4.749 4.749 4.633 0.116 25137 1674 1 3 . 1 1 51 51 ASP C C 51 175.114 175.114 175.587 -0.473 25137 1675 1 3 . 1 1 51 51 ASP CA C 51 56.930 56.930 56.388 0.542 25137 1676 1 3 . 1 1 51 51 ASP CB C 51 44.360 44.360 43.069 1.291 25137 1677 1 3 . 1 1 51 51 ASP H H 51 9.310 9.310 8.668 0.642 25137 1678 1 3 . 1 1 52 52 VAL N N 52 114.454 114.454 115.927 -1.473 25137 1679 1 3 . 1 1 52 52 VAL HA H 52 4.874 4.874 5.022 -0.148 25137 1680 1 3 . 1 1 52 52 VAL C C 52 171.129 171.129 173.099 -1.970 25137 1681 1 3 . 1 1 52 52 VAL CA C 52 59.850 59.850 59.769 0.081 25137 1682 1 3 . 1 1 52 52 VAL CB C 52 32.980 32.980 35.034 -2.054 25137 1683 1 3 . 1 1 52 52 VAL H H 52 7.580 7.580 7.645 -0.065 25137 1684 1 3 . 1 1 53 53 ALA N N 53 124.620 124.620 126.171 -1.551 25137 1685 1 3 . 1 1 53 53 ALA HA H 53 5.665 5.665 5.053 0.612 25137 1686 1 3 . 1 1 53 53 ALA C C 53 175.100 175.100 175.098 0.002 25137 1687 1 3 . 1 1 53 53 ALA CA C 53 49.810 49.810 50.480 -0.670 25137 1688 1 3 . 1 1 53 53 ALA CB C 53 25.750 25.750 22.900 2.850 25137 1689 1 3 . 1 1 53 53 ALA H H 53 7.780 7.780 8.339 -0.559 25137 1690 1 3 . 1 1 54 54 VAL N N 54 118.950 118.950 117.036 1.914 25137 1691 1 3 . 1 1 54 54 VAL HA H 54 4.647 4.647 5.281 -0.634 25137 1692 1 3 . 1 1 54 54 VAL C C 54 174.020 174.020 174.128 -0.108 25137 1693 1 3 . 1 1 54 54 VAL CA C 54 61.580 61.580 60.233 1.347 25137 1694 1 3 . 1 1 54 54 VAL CB C 54 34.320 34.320 33.516 0.804 25137 1695 1 3 . 1 1 54 54 VAL H H 54 8.730 8.730 8.893 -0.163 25137 1696 1 3 . 1 1 55 55 LEU N N 55 124.820 124.820 128.697 -3.877 25137 1697 1 3 . 1 1 55 55 LEU HA H 55 4.953 4.953 4.689 0.264 25137 1698 1 3 . 1 1 55 55 LEU C C 55 176.110 176.110 175.447 0.663 25137 1699 1 3 . 1 1 55 55 LEU CA C 55 53.540 53.540 53.902 -0.362 25137 1700 1 3 . 1 1 55 55 LEU CB C 55 42.690 42.690 43.410 -0.720 25137 1701 1 3 . 1 1 55 55 LEU H H 55 9.240 9.240 9.241 -0.001 25137 1702 1 3 . 1 1 56 56 ASP N N 56 124.220 124.220 125.363 -1.143 25137 1703 1 3 . 1 1 56 56 ASP HA H 56 5.629 5.629 4.727 0.902 25137 1704 1 3 . 1 1 56 56 ASP C C 56 174.460 174.460 175.932 -1.472 25137 1705 1 3 . 1 1 56 56 ASP CA C 56 52.930 52.930 53.796 -0.866 25137 1706 1 3 . 1 1 56 56 ASP CB C 56 43.400 43.400 42.142 1.258 25137 1707 1 3 . 1 1 56 56 ASP H H 56 8.360 8.360 8.967 -0.607 25137 1708 1 3 . 1 1 57 57 VAL N N 57 119.581 119.581 124.686 -5.105 25137 1709 1 3 . 1 1 57 57 VAL HA H 57 4.239 4.239 3.920 0.320 25137 1710 1 3 . 1 1 57 57 VAL C C 57 175.480 175.480 175.559 -0.079 25137 1711 1 3 . 1 1 57 57 VAL CA C 57 64.564 64.564 63.016 1.548 25137 1712 1 3 . 1 1 57 57 VAL CB C 57 32.520 32.520 31.632 0.888 25137 1713 1 3 . 1 1 57 57 VAL H H 57 7.022 7.022 8.429 -1.407 25137 1714 1 3 . 1 1 58 58 ASN N N 58 114.490 114.490 117.469 -2.979 25137 1715 1 3 . 1 1 58 58 ASN HA H 58 4.693 4.693 4.833 -0.141 25137 1716 1 3 . 1 1 58 58 ASN C C 58 173.400 173.400 175.933 -2.533 25137 1717 1 3 . 1 1 58 58 ASN CA C 58 53.570 53.570 51.988 1.582 25137 1718 1 3 . 1 1 58 58 ASN CB C 58 38.820 38.820 38.010 0.810 25137 1719 1 3 . 1 1 58 58 ASN H H 58 8.600 8.600 7.628 0.972 25137 1720 1 3 . 1 1 59 59 LEU N N 59 130.670 130.670 119.802 10.868 25137 1721 1 3 . 1 1 59 59 LEU HA H 59 4.647 4.647 4.218 0.429 25137 1722 1 3 . 1 1 59 59 LEU C C 59 175.340 175.340 177.617 -2.277 25137 1723 1 3 . 1 1 59 59 LEU CA C 59 53.550 53.550 56.267 -2.717 25137 1724 1 3 . 1 1 59 59 LEU CB C 59 41.430 41.430 42.161 -0.731 25137 1725 1 3 . 1 1 59 59 LEU H H 59 8.260 8.260 7.569 0.691 25137 1726 1 3 . 1 1 60 60 GLY N N 60 109.030 109.030 104.213 4.817 25137 1727 1 3 . 1 1 60 60 GLY CA C 60 44.610 44.610 45.126 -0.516 25137 1728 1 3 . 1 1 60 60 GLY H H 60 7.860 7.860 7.597 0.263 25137 1729 1 3 . 1 1 61 61 PRO HA H 61 4.385 4.385 4.322 0.062 25137 1730 1 3 . 1 1 61 61 PRO C C 61 177.960 177.960 177.688 0.272 25137 1731 1 3 . 1 1 61 61 PRO CA C 61 64.888 64.888 65.235 -0.347 25137 1732 1 3 . 1 1 61 61 PRO CB C 61 32.070 32.070 32.355 -0.285 25137 1733 1 3 . 1 1 62 62 LYS N N 62 115.984 115.984 115.229 0.755 25137 1734 1 3 . 1 1 62 62 LYS HA H 62 4.524 4.524 4.572 -0.048 25137 1735 1 3 . 1 1 62 62 LYS C C 62 175.810 175.810 176.076 -0.266 25137 1736 1 3 . 1 1 62 62 LYS CA C 62 55.444 55.444 56.081 -0.637 25137 1737 1 3 . 1 1 62 62 LYS CB C 62 33.216 33.216 33.505 -0.289 25137 1738 1 3 . 1 1 62 62 LYS H H 62 8.625 8.625 7.961 0.664 25137 1739 1 3 . 1 1 63 63 SER N N 63 113.432 113.432 116.234 -2.802 25137 1740 1 3 . 1 1 63 63 SER HA H 63 4.609 4.609 4.173 0.436 25137 1741 1 3 . 1 1 63 63 SER C C 63 172.560 172.560 172.980 -0.420 25137 1742 1 3 . 1 1 63 63 SER CA C 63 57.715 57.715 58.721 -1.006 25137 1743 1 3 . 1 1 63 63 SER CB C 63 64.866 64.866 63.479 1.387 25137 1744 1 3 . 1 1 63 63 SER H H 63 7.389 7.389 8.064 -0.675 25137 1745 1 3 . 1 1 64 64 HIS N N 64 122.580 122.580 118.824 3.756 25137 1746 1 3 . 1 1 64 64 HIS HA H 64 5.833 5.833 5.014 0.819 25137 1747 1 3 . 1 1 64 64 HIS C C 64 176.210 176.210 174.953 1.257 25137 1748 1 3 . 1 1 64 64 HIS CA C 64 54.006 54.006 53.958 0.048 25137 1749 1 3 . 1 1 64 64 HIS CB C 64 34.092 34.092 32.531 1.561 25137 1750 1 3 . 1 1 64 64 HIS H H 64 7.762 7.762 8.039 -0.277 25137 1751 1 3 . 1 1 65 65 CYS N N 65 111.478 111.478 121.217 -9.739 25137 1752 1 3 . 1 1 65 65 CYS HA H 65 4.342 4.342 4.474 -0.132 25137 1753 1 3 . 1 1 65 65 CYS C C 65 175.881 175.881 174.880 1.001 25137 1754 1 3 . 1 1 65 65 CYS CA C 65 57.980 57.980 57.815 0.165 25137 1755 1 3 . 1 1 65 65 CYS CB C 65 29.790 29.790 26.492 3.298 25137 1756 1 3 . 1 1 65 65 CYS H H 65 7.946 7.946 8.282 -0.336 25137 1757 1 3 . 1 1 66 66 GLY N N 66 120.340 120.340 113.124 7.216 25137 1758 1 3 . 1 1 66 66 GLY CA C 66 48.880 48.880 46.049 2.831 25137 1759 1 3 . 1 1 66 66 GLY H H 66 11.290 11.290 8.204 3.086 25137 1760 1 3 . 1 1 67 67 PRO HA H 67 4.386 4.386 4.255 0.131 25137 1761 1 3 . 1 1 67 67 PRO C C 67 179.860 179.860 178.563 1.297 25137 1762 1 3 . 1 1 67 67 PRO CA C 67 65.388 65.388 65.413 -0.025 25137 1763 1 3 . 1 1 67 67 PRO CB C 67 32.970 32.970 31.305 1.665 25137 1764 1 3 . 1 1 68 68 VAL N N 68 116.564 116.564 116.928 -0.364 25137 1765 1 3 . 1 1 68 68 VAL HA H 68 3.494 3.494 3.582 -0.088 25137 1766 1 3 . 1 1 68 68 VAL C C 68 176.350 176.350 177.552 -1.202 25137 1767 1 3 . 1 1 68 68 VAL CA C 68 64.839 64.839 66.606 -1.767 25137 1768 1 3 . 1 1 68 68 VAL CB C 68 31.396 31.396 31.082 0.314 25137 1769 1 3 . 1 1 68 68 VAL H H 68 7.471 7.471 8.040 -0.569 25137 1770 1 3 . 1 1 69 69 ALA N N 69 122.825 122.825 122.463 0.362 25137 1771 1 3 . 1 1 69 69 ALA HA H 69 3.085 3.085 3.361 -0.276 25137 1772 1 3 . 1 1 69 69 ALA C C 69 179.280 179.280 179.352 -0.072 25137 1773 1 3 . 1 1 69 69 ALA CA C 69 55.209 55.209 55.160 0.049 25137 1774 1 3 . 1 1 69 69 ALA CB C 69 18.141 18.141 17.795 0.346 25137 1775 1 3 . 1 1 69 69 ALA H H 69 7.880 7.880 7.521 0.359 25137 1776 1 3 . 1 1 70 70 ASP N N 70 116.269 116.269 119.051 -2.782 25137 1777 1 3 . 1 1 70 70 ASP HA H 70 4.314 4.314 4.279 0.035 25137 1778 1 3 . 1 1 70 70 ASP C C 70 178.300 178.300 178.072 0.228 25137 1779 1 3 . 1 1 70 70 ASP CA C 70 57.530 57.530 57.412 0.118 25137 1780 1 3 . 1 1 70 70 ASP CB C 70 40.582 40.582 40.707 -0.125 25137 1781 1 3 . 1 1 70 70 ASP H H 70 8.316 8.316 8.088 0.228 25137 1782 1 3 . 1 1 71 71 ALA N N 71 122.771 122.771 122.512 0.259 25137 1783 1 3 . 1 1 71 71 ALA HA H 71 4.045 4.045 4.343 -0.298 25137 1784 1 3 . 1 1 71 71 ALA C C 71 180.700 180.700 179.921 0.779 25137 1785 1 3 . 1 1 71 71 ALA CA C 71 55.062 55.062 54.864 0.198 25137 1786 1 3 . 1 1 71 71 ALA CB C 71 18.675 18.675 18.512 0.163 25137 1787 1 3 . 1 1 71 71 ALA H H 71 7.156 7.156 7.865 -0.709 25137 1788 1 3 . 1 1 72 72 LEU N N 72 119.021 119.021 118.312 0.709 25137 1789 1 3 . 1 1 72 72 LEU HA H 72 3.824 3.824 3.827 -0.003 25137 1790 1 3 . 1 1 72 72 LEU C C 72 179.560 179.560 179.506 0.054 25137 1791 1 3 . 1 1 72 72 LEU CA C 72 58.351 58.351 57.654 0.697 25137 1792 1 3 . 1 1 72 72 LEU CB C 72 40.437 40.437 41.245 -0.808 25137 1793 1 3 . 1 1 72 72 LEU H H 72 8.250 8.250 8.266 -0.016 25137 1794 1 3 . 1 1 73 73 LYS N N 73 120.087 120.087 119.004 1.083 25137 1795 1 3 . 1 1 73 73 LYS HA H 73 4.431 4.431 4.181 0.250 25137 1796 1 3 . 1 1 73 73 LYS C C 73 181.310 181.310 180.176 1.134 25137 1797 1 3 . 1 1 73 73 LYS CA C 73 59.307 59.307 58.889 0.418 25137 1798 1 3 . 1 1 73 73 LYS CB C 73 32.404 32.404 31.674 0.730 25137 1799 1 3 . 1 1 73 73 LYS H H 73 8.383 8.383 8.328 0.055 25137 1800 1 3 . 1 1 74 74 GLN N N 74 118.982 118.982 119.323 -0.341 25137 1801 1 3 . 1 1 74 74 GLN HA H 74 4.074 4.074 4.101 -0.028 25137 1802 1 3 . 1 1 74 74 GLN C C 74 177.620 177.620 177.821 -0.201 25137 1803 1 3 . 1 1 74 74 GLN CA C 74 58.834 58.834 58.687 0.147 25137 1804 1 3 . 1 1 74 74 GLN CB C 74 28.505 28.505 28.736 -0.231 25137 1805 1 3 . 1 1 74 74 GLN H H 74 8.015 8.015 8.425 -0.410 25137 1806 1 3 . 1 1 75 75 ARG N N 75 116.770 116.770 115.761 1.009 25137 1807 1 3 . 1 1 75 75 ARG HA H 75 4.272 4.272 4.393 -0.121 25137 1808 1 3 . 1 1 75 75 ARG C C 75 174.310 174.310 175.122 -0.812 25137 1809 1 3 . 1 1 75 75 ARG CA C 75 55.950 55.950 55.513 0.437 25137 1810 1 3 . 1 1 75 75 ARG CB C 75 31.780 31.780 30.437 1.343 25137 1811 1 3 . 1 1 75 75 ARG H H 75 7.240 7.240 7.635 -0.395 25137 1812 1 3 . 1 1 76 76 ALA N N 76 122.020 122.020 120.573 1.447 25137 1813 1 3 . 1 1 76 76 ALA HA H 76 4.050 4.050 4.075 -0.025 25137 1814 1 3 . 1 1 76 76 ALA C C 76 176.240 176.240 177.483 -1.243 25137 1815 1 3 . 1 1 76 76 ALA CA C 76 53.170 53.170 52.895 0.275 25137 1816 1 3 . 1 1 76 76 ALA CB C 76 16.650 16.650 17.255 -0.605 25137 1817 1 3 . 1 1 76 76 ALA H H 76 8.065 8.065 7.481 0.584 25137 1818 1 3 . 1 1 77 77 ILE N N 77 122.300 122.300 119.973 2.327 25137 1819 1 3 . 1 1 77 77 ILE HA H 77 4.502 4.502 4.204 0.298 25137 1820 1 3 . 1 1 77 77 ILE CA C 77 58.610 58.610 59.288 -0.678 25137 1821 1 3 . 1 1 77 77 ILE CB C 77 40.000 40.000 38.864 1.136 25137 1822 1 3 . 1 1 77 77 ILE H H 77 8.080 8.080 8.134 -0.054 25137 1823 1 3 . 1 1 78 78 PRO HA H 78 4.454 4.454 4.560 -0.106 25137 1824 1 3 . 1 1 78 78 PRO C C 78 174.680 174.680 175.394 -0.714 25137 1825 1 3 . 1 1 78 78 PRO CA C 78 62.622 62.622 62.788 -0.166 25137 1826 1 3 . 1 1 78 78 PRO CB C 78 32.772 32.772 32.131 0.641 25137 1827 1 3 . 1 1 79 79 PHE N N 79 109.800 109.800 116.650 -6.850 25137 1828 1 3 . 1 1 79 79 PHE HA H 79 5.656 5.656 5.449 0.207 25137 1829 1 3 . 1 1 79 79 PHE C C 79 172.780 172.780 173.472 -0.692 25137 1830 1 3 . 1 1 79 79 PHE CA C 79 55.612 55.612 55.816 -0.204 25137 1831 1 3 . 1 1 79 79 PHE CB C 79 42.181 42.181 42.325 -0.144 25137 1832 1 3 . 1 1 79 79 PHE H H 79 7.463 7.463 7.890 -0.427 25137 1833 1 3 . 1 1 80 80 ILE N N 80 114.746 114.746 120.195 -5.449 25137 1834 1 3 . 1 1 80 80 ILE HA H 80 4.545 4.545 4.643 -0.098 25137 1835 1 3 . 1 1 80 80 ILE C C 80 174.750 174.750 175.222 -0.472 25137 1836 1 3 . 1 1 80 80 ILE CA C 80 58.914 58.914 59.741 -0.827 25137 1837 1 3 . 1 1 80 80 ILE CB C 80 43.079 43.079 42.156 0.923 25137 1838 1 3 . 1 1 80 80 ILE H H 80 8.024 8.024 8.766 -0.742 25137 1839 1 3 . 1 1 81 81 LEU N N 81 124.450 124.450 126.855 -2.405 25137 1840 1 3 . 1 1 81 81 LEU HA H 81 5.470 5.470 5.035 0.435 25137 1841 1 3 . 1 1 81 81 LEU C C 81 175.620 175.620 176.323 -0.703 25137 1842 1 3 . 1 1 81 81 LEU CA C 81 53.345 53.345 53.438 -0.093 25137 1843 1 3 . 1 1 81 81 LEU CB C 81 43.304 43.304 39.977 3.328 25137 1844 1 3 . 1 1 81 81 LEU H H 81 8.935 8.935 9.153 -0.218 25137 1845 1 3 . 1 1 82 82 HIS N N 82 126.167 126.167 126.638 -0.471 25137 1846 1 3 . 1 1 82 82 HIS HA H 82 5.880 5.880 5.259 0.621 25137 1847 1 3 . 1 1 82 82 HIS C C 82 172.730 172.730 174.256 -1.526 25137 1848 1 3 . 1 1 82 82 HIS CA C 82 52.947 52.947 53.783 -0.836 25137 1849 1 3 . 1 1 82 82 HIS CB C 82 31.171 31.171 29.373 1.798 25137 1850 1 3 . 1 1 82 82 HIS H H 82 8.828 8.828 8.289 0.539 25137 1851 1 3 . 1 1 83 83 THR N N 83 114.001 114.001 116.450 -2.449 25137 1852 1 3 . 1 1 83 83 THR HA H 83 5.305 5.305 4.979 0.326 25137 1853 1 3 . 1 1 83 83 THR C C 83 172.800 172.800 174.844 -2.044 25137 1854 1 3 . 1 1 83 83 THR CA C 83 58.807 58.807 60.501 -1.694 25137 1855 1 3 . 1 1 83 83 THR CB C 83 69.366 69.366 71.522 -2.156 25137 1856 1 3 . 1 1 83 83 THR H H 83 7.252 7.252 7.519 -0.267 25137 1857 1 3 . 1 1 84 84 GLY N N 84 115.666 115.666 111.409 4.257 25137 1858 1 3 . 1 1 84 84 GLY C C 84 173.764 173.764 173.709 0.055 25137 1859 1 3 . 1 1 84 84 GLY CA C 84 45.284 45.284 44.722 0.562 25137 1860 1 3 . 1 1 84 84 GLY H H 84 8.483 8.483 8.542 -0.059 25137 1861 1 3 . 1 1 85 85 ASP N N 85 123.490 123.490 119.576 3.914 25137 1862 1 3 . 1 1 85 85 ASP HA H 85 4.982 4.982 4.883 0.099 25137 1863 1 3 . 1 1 85 85 ASP C C 85 175.829 175.829 175.219 0.610 25137 1864 1 3 . 1 1 85 85 ASP CA C 85 53.420 53.420 53.678 -0.258 25137 1865 1 3 . 1 1 85 85 ASP CB C 85 41.560 41.560 43.142 -1.582 25137 1866 1 3 . 1 1 85 85 ASP H H 85 8.510 8.510 7.997 0.513 25137 1867 1 3 . 1 1 86 86 LEU N N 86 122.010 122.010 125.131 -3.121 25137 1868 1 3 . 1 1 86 86 LEU HA H 86 3.997 3.997 4.596 -0.599 25137 1869 1 3 . 1 1 86 86 LEU C C 86 178.242 178.242 176.713 1.529 25137 1870 1 3 . 1 1 86 86 LEU CA C 86 57.410 57.410 55.166 2.244 25137 1871 1 3 . 1 1 86 86 LEU CB C 86 42.000 42.000 42.764 -0.764 25137 1872 1 3 . 1 1 86 86 LEU H H 86 8.210 8.210 8.638 -0.428 25137 1873 1 3 . 1 1 87 87 ASP N N 87 117.260 117.260 120.383 -3.123 25137 1874 1 3 . 1 1 87 87 ASP HA H 87 4.535 4.535 4.542 -0.007 25137 1875 1 3 . 1 1 87 87 ASP C C 87 178.351 178.351 178.737 -0.386 25137 1876 1 3 . 1 1 87 87 ASP CA C 87 56.010 56.010 56.768 -0.758 25137 1877 1 3 . 1 1 87 87 ASP CB C 87 41.400 41.400 41.464 -0.064 25137 1878 1 3 . 1 1 87 87 ASP H H 87 8.290 8.290 7.922 0.368 25137 1879 1 3 . 1 1 88 88 ARG N N 88 120.750 120.750 119.653 1.097 25137 1880 1 3 . 1 1 88 88 ARG HA H 88 4.015 4.015 4.066 -0.051 25137 1881 1 3 . 1 1 88 88 ARG C C 88 177.300 177.300 178.537 -1.237 25137 1882 1 3 . 1 1 88 88 ARG CA C 88 58.340 58.340 58.568 -0.228 25137 1883 1 3 . 1 1 88 88 ARG CB C 88 30.460 30.460 30.596 -0.136 25137 1884 1 3 . 1 1 88 88 ARG H H 88 8.040 8.040 8.276 -0.236 25137 1885 1 3 . 1 1 89 89 HIS N N 89 115.580 115.580 115.914 -0.334 25137 1886 1 3 . 1 1 89 89 HIS HA H 89 5.026 5.026 4.695 0.331 25137 1887 1 3 . 1 1 89 89 HIS C C 89 175.670 175.670 176.393 -0.723 25137 1888 1 3 . 1 1 89 89 HIS CA C 89 55.300 55.300 55.689 -0.389 25137 1889 1 3 . 1 1 89 89 HIS CB C 89 29.890 29.890 28.807 1.083 25137 1890 1 3 . 1 1 89 89 HIS H H 89 7.900 7.900 8.927 -1.027 25137 1891 1 3 . 1 1 90 90 GLY N N 90 108.320 108.320 108.741 -0.421 25137 1892 1 3 . 1 1 90 90 GLY C C 90 175.880 175.880 175.448 0.432 25137 1893 1 3 . 1 1 90 90 GLY CA C 90 48.310 48.310 47.180 1.130 25137 1894 1 3 . 1 1 90 90 GLY H H 90 7.790 7.790 7.723 0.067 25137 1895 1 3 . 1 1 91 91 GLU N N 91 120.490 120.490 121.159 -0.669 25137 1896 1 3 . 1 1 91 91 GLU HA H 91 4.043 4.043 4.078 -0.035 25137 1897 1 3 . 1 1 91 91 GLU C C 91 178.410 178.410 178.435 -0.025 25137 1898 1 3 . 1 1 91 91 GLU CA C 91 59.200 59.200 58.762 0.438 25137 1899 1 3 . 1 1 91 91 GLU CB C 91 29.240 29.240 29.381 -0.141 25137 1900 1 3 . 1 1 91 91 GLU H H 91 8.580 8.580 8.223 0.357 25137 1901 1 3 . 1 1 92 92 LEU N N 92 121.740 121.740 120.883 0.857 25137 1902 1 3 . 1 1 92 92 LEU HA H 92 4.048 4.048 4.001 0.047 25137 1903 1 3 . 1 1 92 92 LEU C C 92 178.630 178.630 178.711 -0.081 25137 1904 1 3 . 1 1 92 92 LEU CA C 92 57.690 57.690 57.686 0.004 25137 1905 1 3 . 1 1 92 92 LEU CB C 92 41.820 41.820 41.862 -0.042 25137 1906 1 3 . 1 1 92 92 LEU H H 92 7.690 7.690 7.947 -0.257 25137 1907 1 3 . 1 1 93 93 LEU N N 93 117.310 117.310 118.689 -1.379 25137 1908 1 3 . 1 1 93 93 LEU HA H 93 3.881 3.881 3.873 0.008 25137 1909 1 3 . 1 1 93 93 LEU C C 93 174.967 174.967 178.914 -3.947 25137 1910 1 3 . 1 1 93 93 LEU CA C 93 57.940 57.940 58.084 -0.144 25137 1911 1 3 . 1 1 93 93 LEU CB C 93 40.640 40.640 41.137 -0.497 25137 1912 1 3 . 1 1 93 93 LEU H H 93 8.160 8.160 8.672 -0.512 25137 1913 1 3 . 1 1 94 94 ARG N N 94 117.940 117.940 118.523 -0.583 25137 1914 1 3 . 1 1 94 94 ARG HA H 94 4.120 4.120 4.200 -0.080 25137 1915 1 3 . 1 1 94 94 ARG C C 94 177.870 177.870 178.355 -0.485 25137 1916 1 3 . 1 1 94 94 ARG CA C 94 58.450 58.450 57.518 0.932 25137 1917 1 3 . 1 1 94 94 ARG CB C 94 30.370 30.370 29.459 0.911 25137 1918 1 3 . 1 1 94 94 ARG H H 94 7.770 7.770 7.749 0.021 25137 1919 1 3 . 1 1 95 95 LYS N N 95 118.380 118.380 118.881 -0.501 25137 1920 1 3 . 1 1 95 95 LYS HA H 95 4.160 4.160 4.190 -0.030 25137 1921 1 3 . 1 1 95 95 LYS C C 95 177.730 177.730 178.524 -0.794 25137 1922 1 3 . 1 1 95 95 LYS CA C 95 57.600 57.600 58.907 -1.307 25137 1923 1 3 . 1 1 95 95 LYS CB C 95 32.770 32.770 32.758 0.012 25137 1924 1 3 . 1 1 95 95 LYS H H 95 7.640 7.640 7.564 0.076 25137 1925 1 3 . 1 1 96 96 ILE N N 96 120.160 120.160 118.516 1.644 25137 1926 1 3 . 1 1 96 96 ILE HA H 96 3.781 3.781 3.841 -0.060 25137 1927 1 3 . 1 1 96 96 ILE C C 96 175.840 175.840 175.659 0.181 25137 1928 1 3 . 1 1 96 96 ILE CA C 96 63.720 63.720 64.507 -0.787 25137 1929 1 3 . 1 1 96 96 ILE CB C 96 38.670 38.670 38.795 -0.125 25137 1930 1 3 . 1 1 96 96 ILE H H 96 7.980 7.980 7.715 0.265 25137 1931 1 3 . 1 1 97 97 ASP N N 97 120.510 120.510 119.207 1.303 25137 1932 1 3 . 1 1 97 97 ASP HA H 97 4.380 4.380 4.235 0.145 25137 1933 1 3 . 1 1 97 97 ASP C C 97 173.580 173.580 173.965 -0.385 25137 1934 1 3 . 1 1 97 97 ASP CA C 97 54.300 54.300 55.166 -0.866 25137 1935 1 3 . 1 1 97 97 ASP CB C 97 39.490 39.490 40.100 -0.610 25137 1936 1 3 . 1 1 97 97 ASP H H 97 8.160 8.160 8.356 -0.196 25137 1937 1 3 . 1 1 98 98 ALA N N 98 123.800 123.800 125.251 -1.451 25137 1938 1 3 . 1 1 98 98 ALA HA H 98 4.550 4.550 4.411 0.139 25137 1939 1 3 . 1 1 98 98 ALA CA C 98 49.860 49.860 50.468 -0.608 25137 1940 1 3 . 1 1 98 98 ALA CB C 98 21.070 21.070 20.600 0.470 25137 1941 1 3 . 1 1 98 98 ALA H H 98 7.680 7.680 7.967 -0.287 25137 1942 1 3 . 1 1 99 99 PRO HA H 99 4.370 4.370 4.439 -0.069 25137 1943 1 3 . 1 1 99 99 PRO C C 99 174.760 174.760 175.662 -0.902 25137 1944 1 3 . 1 1 99 99 PRO CA C 99 62.950 62.950 62.886 0.064 25137 1945 1 3 . 1 1 99 99 PRO CB C 99 32.310 32.310 32.012 0.298 25137 1946 1 3 . 1 1 100 100 VAL N N 100 120.490 120.490 122.412 -1.922 25137 1947 1 3 . 1 1 100 100 VAL HA H 100 4.832 4.832 4.599 0.233 25137 1948 1 3 . 1 1 100 100 VAL C C 100 176.650 176.650 175.505 1.145 25137 1949 1 3 . 1 1 100 100 VAL CA C 100 60.450 60.450 61.475 -1.026 25137 1950 1 3 . 1 1 100 100 VAL CB C 100 34.830 34.830 34.430 0.400 25137 1951 1 3 . 1 1 100 100 VAL H H 100 8.270 8.270 8.252 0.018 25137 1952 1 3 . 1 1 101 101 MET N N 101 127.420 127.420 126.796 0.624 25137 1953 1 3 . 1 1 101 101 MET HA H 101 4.705 4.705 4.702 0.003 25137 1954 1 3 . 1 1 101 101 MET C C 101 174.490 174.490 174.861 -0.371 25137 1955 1 3 . 1 1 101 101 MET CA C 101 54.730 54.730 53.336 1.394 25137 1956 1 3 . 1 1 101 101 MET CB C 101 34.560 34.560 32.287 2.273 25137 1957 1 3 . 1 1 101 101 MET H H 101 9.240 9.240 9.206 0.034 25137 1958 1 3 . 1 1 102 102 ALA N N 102 128.590 128.590 127.509 1.081 25137 1959 1 3 . 1 1 102 102 ALA HA H 102 4.608 4.608 4.658 -0.050 25137 1960 1 3 . 1 1 102 102 ALA C C 102 177.935 177.935 177.425 0.510 25137 1961 1 3 . 1 1 102 102 ALA CA C 102 51.930 51.930 52.087 -0.157 25137 1962 1 3 . 1 1 102 102 ALA CB C 102 19.040 19.040 19.936 -0.896 25137 1963 1 3 . 1 1 102 102 ALA H H 102 8.760 8.760 8.527 0.233 25137 1964 1 3 . 1 1 103 103 LYS N N 103 120.200 120.200 123.501 -3.301 25137 1965 1 3 . 1 1 103 103 LYS HA H 103 4.284 4.284 4.830 -0.546 25137 1966 1 3 . 1 1 103 103 LYS CA C 103 54.370 54.370 54.590 -0.220 25137 1967 1 3 . 1 1 103 103 LYS CB C 103 34.190 34.190 32.427 1.763 25137 1968 1 3 . 1 1 103 103 LYS H H 103 7.300 7.300 8.020 -0.720 25137 1969 1 3 . 1 1 104 104 PRO HA H 104 4.611 4.611 4.569 0.042 25137 1970 1 3 . 1 1 104 104 PRO C C 104 174.980 174.980 175.810 -0.830 25137 1971 1 3 . 1 1 104 104 PRO CA C 104 62.626 62.626 62.766 -0.140 25137 1972 1 3 . 1 1 104 104 PRO CB C 104 33.867 33.867 32.126 1.741 25137 1973 1 3 . 1 1 105 105 ALA N N 105 125.082 125.082 125.117 -0.035 25137 1974 1 3 . 1 1 105 105 ALA HA H 105 4.576 4.576 4.483 0.093 25137 1975 1 3 . 1 1 105 105 ALA C C 105 176.890 176.890 175.848 1.042 25137 1976 1 3 . 1 1 105 105 ALA CA C 105 51.177 51.177 51.229 -0.052 25137 1977 1 3 . 1 1 105 105 ALA CB C 105 21.735 21.735 21.400 0.335 25137 1978 1 3 . 1 1 105 105 ALA H H 105 8.668 8.668 8.250 0.418 25137 1979 1 3 . 1 1 106 106 ASP N N 106 122.306 122.306 124.398 -2.092 25137 1980 1 3 . 1 1 106 106 ASP HA H 106 4.636 4.636 4.660 -0.024 25137 1981 1 3 . 1 1 106 106 ASP C C 106 178.383 178.383 177.877 0.506 25137 1982 1 3 . 1 1 106 106 ASP CA C 106 54.312 54.312 54.133 0.180 25137 1983 1 3 . 1 1 106 106 ASP CB C 106 41.260 41.260 42.868 -1.608 25137 1984 1 3 . 1 1 106 106 ASP H H 106 8.867 8.867 8.558 0.309 25137 1985 1 3 . 1 1 107 107 THR N N 107 119.540 119.540 118.643 0.897 25137 1986 1 3 . 1 1 107 107 THR HA H 107 3.573 3.573 4.048 -0.475 25137 1987 1 3 . 1 1 107 107 THR C C 107 176.393 176.393 176.223 0.170 25137 1988 1 3 . 1 1 107 107 THR CA C 107 65.940 65.940 64.930 1.011 25137 1989 1 3 . 1 1 107 107 THR CB C 107 68.191 68.191 68.629 -0.438 25137 1990 1 3 . 1 1 107 107 THR H H 107 8.658 8.658 8.555 0.103 25137 1991 1 3 . 1 1 108 108 SER N N 108 117.095 117.095 117.398 -0.303 25137 1992 1 3 . 1 1 108 108 SER HA H 108 4.140 4.140 4.051 0.089 25137 1993 1 3 . 1 1 108 108 SER C C 108 176.143 176.143 175.956 0.187 25137 1994 1 3 . 1 1 108 108 SER CA C 108 61.650 61.650 62.379 -0.729 25137 1995 1 3 . 1 1 108 108 SER CB C 108 62.450 62.450 62.462 -0.012 25137 1996 1 3 . 1 1 108 108 SER H H 108 8.480 8.480 8.673 -0.193 25137 1997 1 3 . 1 1 109 109 ASP N N 109 122.520 122.520 123.648 -1.128 25137 1998 1 3 . 1 1 109 109 ASP HA H 109 4.400 4.400 4.434 -0.034 25137 1999 1 3 . 1 1 109 109 ASP C C 109 178.499 178.499 178.679 -0.180 25137 2000 1 3 . 1 1 109 109 ASP CA C 109 56.990 56.990 57.178 -0.188 25137 2001 1 3 . 1 1 109 109 ASP CB C 109 40.560 40.560 40.623 -0.063 25137 2002 1 3 . 1 1 109 109 ASP H H 109 7.350 7.350 7.718 -0.368 25137 2003 1 3 . 1 1 110 110 VAL N N 110 120.210 120.210 120.052 0.158 25137 2004 1 3 . 1 1 110 110 VAL HA H 110 3.262 3.262 3.529 -0.267 25137 2005 1 3 . 1 1 110 110 VAL C C 110 176.535 176.535 177.832 -1.297 25137 2006 1 3 . 1 1 110 110 VAL CA C 110 66.090 66.090 66.085 0.005 25137 2007 1 3 . 1 1 110 110 VAL CB C 110 31.400 31.400 31.392 0.008 25137 2008 1 3 . 1 1 110 110 VAL H H 110 7.440 7.440 7.913 -0.473 25137 2009 1 3 . 1 1 111 111 ALA N N 111 118.790 118.790 121.663 -2.873 25137 2010 1 3 . 1 1 111 111 ALA HA H 111 3.264 3.264 2.949 0.315 25137 2011 1 3 . 1 1 111 111 ALA C C 111 179.030 179.030 179.117 -0.087 25137 2012 1 3 . 1 1 111 111 ALA CA C 111 54.590 54.590 54.832 -0.242 25137 2013 1 3 . 1 1 111 111 ALA CB C 111 16.480 16.480 17.505 -1.025 25137 2014 1 3 . 1 1 111 111 ALA H H 111 7.610 7.610 7.855 -0.245 25137 2015 1 3 . 1 1 112 112 LYS N N 112 115.540 115.540 118.433 -2.893 25137 2016 1 3 . 1 1 112 112 LYS HA H 112 3.750 3.750 3.965 -0.215 25137 2017 1 3 . 1 1 112 112 LYS C C 112 179.470 179.470 179.429 0.041 25137 2018 1 3 . 1 1 112 112 LYS CA C 112 60.020 60.020 59.265 0.755 25137 2019 1 3 . 1 1 112 112 LYS CB C 112 32.680 32.680 32.341 0.339 25137 2020 1 3 . 1 1 112 112 LYS H H 112 7.840 7.840 8.045 -0.205 25137 2021 1 3 . 1 1 113 113 ARG N N 113 118.590 118.590 118.352 0.238 25137 2022 1 3 . 1 1 113 113 ARG HA H 113 4.021 4.021 4.081 -0.060 25137 2023 1 3 . 1 1 113 113 ARG C C 113 179.120 179.120 178.418 0.702 25137 2024 1 3 . 1 1 113 113 ARG CA C 113 58.180 58.180 58.377 -0.196 25137 2025 1 3 . 1 1 113 113 ARG CB C 113 29.530 29.530 29.437 0.093 25137 2026 1 3 . 1 1 113 113 ARG H H 113 7.860 7.860 7.969 -0.109 25137 2027 1 3 . 1 1 114 114 ALA N N 114 120.520 120.520 121.521 -1.001 25137 2028 1 3 . 1 1 114 114 ALA HA H 114 4.046 4.046 4.288 -0.242 25137 2029 1 3 . 1 1 114 114 ALA C C 114 179.280 179.280 179.847 -0.567 25137 2030 1 3 . 1 1 114 114 ALA CA C 114 55.070 55.070 54.569 0.501 25137 2031 1 3 . 1 1 114 114 ALA CB C 114 17.920 17.920 19.077 -1.157 25137 2032 1 3 . 1 1 114 114 ALA H H 114 8.190 8.190 7.403 0.787 25137 2033 1 3 . 1 1 115 115 LEU N N 115 115.820 115.820 118.721 -2.901 25137 2034 1 3 . 1 1 115 115 LEU HA H 115 4.225 4.225 4.084 0.141 25137 2035 1 3 . 1 1 115 115 LEU C C 115 180.490 180.490 178.329 2.161 25137 2036 1 3 . 1 1 115 115 LEU CA C 115 57.600 57.600 57.226 0.374 25137 2037 1 3 . 1 1 115 115 LEU CB C 115 40.590 40.590 41.969 -1.379 25137 2038 1 3 . 1 1 115 115 LEU H H 115 8.320 8.320 8.696 -0.376 25137 2039 1 3 . 1 1 116 116 GLU N N 116 119.789 119.789 117.712 2.077 25137 2040 1 3 . 1 1 116 116 GLU HA H 116 4.109 4.109 4.116 -0.007 25137 2041 1 3 . 1 1 116 116 GLU C C 116 178.790 178.790 179.200 -0.410 25137 2042 1 3 . 1 1 116 116 GLU CA C 116 58.625 58.625 58.526 0.099 25137 2043 1 3 . 1 1 116 116 GLU CB C 116 29.548 29.548 28.989 0.559 25137 2044 1 3 . 1 1 116 116 GLU H H 116 7.904 7.904 7.764 0.140 25137 2045 1 3 . 1 1 117 117 MET N N 117 116.426 116.426 118.076 -1.650 25137 2046 1 3 . 1 1 117 117 MET HA H 117 4.245 4.245 4.333 -0.088 25137 2047 1 3 . 1 1 117 117 MET C C 117 176.890 176.890 175.710 1.180 25137 2048 1 3 . 1 1 117 117 MET CA C 117 57.638 57.638 58.338 -0.700 25137 2049 1 3 . 1 1 117 117 MET CB C 117 33.467 33.467 33.702 -0.235 25137 2050 1 3 . 1 1 117 117 MET H H 117 7.712 7.712 7.638 0.074 25137 2051 1 3 . 1 1 118 118 CYS N N 118 113.993 113.993 116.789 -2.796 25137 2052 1 3 . 1 1 118 118 CYS HA H 118 4.699 4.699 4.594 0.105 25137 2053 1 3 . 1 1 118 118 CYS C C 118 174.750 174.750 174.365 0.385 25137 2054 1 3 . 1 1 118 118 CYS CA C 118 58.541 58.541 58.293 0.248 25137 2055 1 3 . 1 1 118 118 CYS CB C 118 28.552 28.552 26.237 2.315 25137 2056 1 3 . 1 1 118 118 CYS H H 118 7.428 7.428 7.367 0.061 25137 2057 1 3 . 1 1 119 119 GLY N N 119 109.823 109.823 109.907 -0.084 25137 2058 1 3 . 1 1 119 119 GLY C C 119 174.660 174.660 174.083 0.577 25137 2059 1 3 . 1 1 119 119 GLY CA C 119 45.709 45.709 44.833 0.876 25137 2060 1 3 . 1 1 119 119 GLY H H 119 8.056 8.056 8.235 -0.179 25137 2061 1 3 . 1 1 120 120 GLY N N 120 108.821 108.821 107.628 1.193 25137 2062 1 3 . 1 1 120 120 GLY C C 120 173.790 173.790 173.806 -0.016 25137 2063 1 3 . 1 1 120 120 GLY CA C 120 45.326 45.326 44.767 0.560 25137 2064 1 3 . 1 1 120 120 GLY H H 120 8.301 8.301 8.170 0.131 25137 2065 1 3 . 1 1 121 121 ASP N N 121 120.383 120.383 122.623 -2.240 25137 2066 1 3 . 1 1 121 121 ASP HA H 121 4.591 4.591 4.659 -0.068 25137 2067 1 3 . 1 1 121 121 ASP C C 121 176.160 176.160 175.854 0.306 25137 2068 1 3 . 1 1 121 121 ASP CA C 121 54.313 54.313 54.313 -0.000 25137 2069 1 3 . 1 1 121 121 ASP CB C 121 41.079 41.079 40.770 0.309 25137 2070 1 3 . 1 1 121 121 ASP H H 121 8.438 8.438 8.209 0.229 25137 2071 1 3 . 1 1 122 122 LYS N N 122 121.450 121.450 124.580 -3.130 25137 2072 1 3 . 1 1 122 122 LYS HA H 122 4.350 4.350 4.589 -0.239 25137 2073 1 3 . 1 1 122 122 LYS C C 122 177.184 177.184 176.532 0.652 25137 2074 1 3 . 1 1 122 122 LYS CA C 122 55.890 55.890 54.828 1.062 25137 2075 1 3 . 1 1 122 122 LYS CB C 122 33.190 33.190 34.196 -1.006 25137 2076 1 3 . 1 1 122 122 LYS H H 122 8.258 8.258 8.089 0.169 25137 2077 1 3 . 1 1 123 123 GLU N N 123 123.560 123.560 122.846 0.714 25137 2078 1 3 . 1 1 123 123 GLU HA H 123 4.550 4.550 4.598 -0.048 25137 2079 1 3 . 1 1 123 123 GLU CA C 123 54.470 54.470 54.934 -0.464 25137 2080 1 3 . 1 1 123 123 GLU CB C 123 29.640 29.640 29.138 0.502 25137 2081 1 3 . 1 1 123 123 GLU H H 123 8.420 8.420 8.377 0.043 25137 2082 1 3 . 1 1 124 124 PRO HA H 124 4.384 4.384 4.825 -0.441 25137 2083 1 3 . 1 1 124 124 PRO C C 124 175.770 175.770 176.232 -0.462 25137 2084 1 3 . 1 1 124 124 PRO CA C 124 63.350 63.350 62.324 1.026 25137 2085 1 3 . 1 1 124 124 PRO CB C 124 32.300 32.300 32.641 -0.341 25137 2086 1 4 . 1 1 2 2 ALA N N 2 123.423 123.423 126.456 -3.033 25137 2087 1 4 . 1 1 2 2 ALA HA H 2 4.357 4.357 4.709 -0.352 25137 2088 1 4 . 1 1 2 2 ALA C C 2 177.811 177.811 175.664 2.147 25137 2089 1 4 . 1 1 2 2 ALA CA C 2 52.652 52.652 52.420 0.232 25137 2090 1 4 . 1 1 2 2 ALA CB C 2 19.488 19.488 20.586 -1.098 25137 2091 1 4 . 1 1 2 2 ALA H H 2 7.983 7.983 8.326 -0.343 25137 2092 1 4 . 1 1 3 3 MET N N 3 119.390 119.390 122.260 -2.870 25137 2093 1 4 . 1 1 3 3 MET HA H 3 4.482 4.482 4.584 -0.102 25137 2094 1 4 . 1 1 3 3 MET C C 3 176.569 176.569 176.909 -0.340 25137 2095 1 4 . 1 1 3 3 MET CA C 3 55.570 55.570 55.882 -0.312 25137 2096 1 4 . 1 1 3 3 MET CB C 3 32.900 32.900 33.130 -0.230 25137 2097 1 4 . 1 1 3 3 MET H H 3 8.570 8.570 8.451 0.119 25137 2098 1 4 . 1 1 4 4 GLY N N 4 110.130 110.130 108.372 1.758 25137 2099 1 4 . 1 1 4 4 GLY C C 4 173.630 173.630 174.814 -1.184 25137 2100 1 4 . 1 1 4 4 GLY CA C 4 45.270 45.270 44.970 0.300 25137 2101 1 4 . 1 1 4 4 GLY H H 4 8.370 8.370 7.943 0.427 25137 2102 1 4 . 1 1 5 5 MET N N 5 121.570 121.570 121.302 0.268 25137 2103 1 4 . 1 1 5 5 MET HA H 5 4.780 4.780 4.915 -0.135 25137 2104 1 4 . 1 1 5 5 MET CA C 5 53.630 53.630 53.482 0.148 25137 2105 1 4 . 1 1 5 5 MET CB C 5 33.140 33.140 33.465 -0.325 25137 2106 1 4 . 1 1 5 5 MET H H 5 8.210 8.210 7.748 0.462 25137 2107 1 4 . 1 1 6 6 PRO HA H 6 4.505 4.505 4.444 0.061 25137 2108 1 4 . 1 1 6 6 PRO C C 6 174.520 174.520 175.948 -1.428 25137 2109 1 4 . 1 1 6 6 PRO CA C 6 62.980 62.980 62.535 0.445 25137 2110 1 4 . 1 1 6 6 PRO CB C 6 32.400 32.400 32.209 0.191 25137 2111 1 4 . 1 1 7 7 LYS N N 7 123.443 123.443 125.866 -2.423 25137 2112 1 4 . 1 1 7 7 LYS HA H 7 5.000 5.000 4.578 0.422 25137 2113 1 4 . 1 1 7 7 LYS C C 7 175.920 175.920 176.164 -0.244 25137 2114 1 4 . 1 1 7 7 LYS CA C 7 54.911 54.911 55.433 -0.522 25137 2115 1 4 . 1 1 7 7 LYS CB C 7 33.635 33.635 32.377 1.258 25137 2116 1 4 . 1 1 7 7 LYS H H 7 9.675 9.675 9.424 0.251 25137 2117 1 4 . 1 1 8 8 VAL N N 8 125.859 125.859 127.720 -1.861 25137 2118 1 4 . 1 1 8 8 VAL HA H 8 4.723 4.723 4.978 -0.255 25137 2119 1 4 . 1 1 8 8 VAL C C 8 174.630 174.630 174.290 0.340 25137 2120 1 4 . 1 1 8 8 VAL CA C 8 59.726 59.726 61.245 -1.519 25137 2121 1 4 . 1 1 8 8 VAL CB C 8 34.991 34.991 32.851 2.140 25137 2122 1 4 . 1 1 8 8 VAL H H 8 8.851 8.851 9.149 -0.298 25137 2123 1 4 . 1 1 9 9 LEU N N 9 127.114 127.114 130.056 -2.942 25137 2124 1 4 . 1 1 9 9 LEU HA H 9 5.190 5.190 4.902 0.288 25137 2125 1 4 . 1 1 9 9 LEU C C 9 174.090 174.090 174.816 -0.726 25137 2126 1 4 . 1 1 9 9 LEU CA C 9 53.090 53.090 53.276 -0.186 25137 2127 1 4 . 1 1 9 9 LEU CB C 9 45.007 45.007 43.849 1.158 25137 2128 1 4 . 1 1 9 9 LEU H H 9 7.881 7.881 8.695 -0.814 25137 2129 1 4 . 1 1 10 10 VAL N N 10 128.024 128.024 128.622 -0.598 25137 2130 1 4 . 1 1 10 10 VAL HA H 10 4.647 4.647 4.366 0.281 25137 2131 1 4 . 1 1 10 10 VAL C C 10 172.900 172.900 174.200 -1.300 25137 2132 1 4 . 1 1 10 10 VAL CA C 10 61.206 61.206 62.334 -1.128 25137 2133 1 4 . 1 1 10 10 VAL CB C 10 34.541 34.541 32.669 1.871 25137 2134 1 4 . 1 1 10 10 VAL H H 10 8.952 8.952 9.162 -0.209 25137 2135 1 4 . 1 1 11 11 LEU N N 11 128.979 128.979 130.015 -1.036 25137 2136 1 4 . 1 1 11 11 LEU HA H 11 5.504 5.504 5.290 0.214 25137 2137 1 4 . 1 1 11 11 LEU C C 11 174.450 174.450 175.331 -0.881 25137 2138 1 4 . 1 1 11 11 LEU CA C 11 52.328 52.328 53.086 -0.757 25137 2139 1 4 . 1 1 11 11 LEU CB C 11 45.000 45.000 41.320 3.680 25137 2140 1 4 . 1 1 11 11 LEU H H 11 8.433 8.433 9.168 -0.735 25137 2141 1 4 . 1 1 12 12 GLU N N 12 128.158 128.158 124.624 3.534 25137 2142 1 4 . 1 1 12 12 GLU HA H 12 4.294 4.294 4.564 -0.270 25137 2143 1 4 . 1 1 12 12 GLU C C 12 173.120 173.120 174.767 -1.647 25137 2144 1 4 . 1 1 12 12 GLU CA C 12 56.964 56.964 55.839 1.125 25137 2145 1 4 . 1 1 12 12 GLU CB C 12 32.201 32.201 33.049 -0.848 25137 2146 1 4 . 1 1 12 12 GLU H H 12 8.532 8.532 8.673 -0.141 25137 2147 1 4 . 1 1 13 13 ASP N N 13 123.077 123.077 125.738 -2.661 25137 2148 1 4 . 1 1 13 13 ASP HA H 13 4.659 4.659 4.602 0.057 25137 2149 1 4 . 1 1 13 13 ASP C C 13 176.090 176.090 176.666 -0.576 25137 2150 1 4 . 1 1 13 13 ASP CA C 13 55.140 55.140 54.980 0.160 25137 2151 1 4 . 1 1 13 13 ASP CB C 13 40.524 40.524 41.584 -1.060 25137 2152 1 4 . 1 1 13 13 ASP H H 13 8.803 8.803 8.663 0.140 25137 2153 1 4 . 1 1 14 14 GLU N N 14 126.685 126.685 120.724 5.961 25137 2154 1 4 . 1 1 14 14 GLU HA H 14 4.809 4.809 4.682 0.127 25137 2155 1 4 . 1 1 14 14 GLU CA C 14 54.574 54.574 53.798 0.776 25137 2156 1 4 . 1 1 14 14 GLU CB C 14 29.310 29.310 29.350 -0.040 25137 2157 1 4 . 1 1 14 14 GLU H H 14 10.077 10.077 8.528 1.549 25137 2158 1 4 . 1 1 15 15 PRO HA H 15 4.273 4.273 4.251 0.022 25137 2159 1 4 . 1 1 15 15 PRO C C 15 179.110 179.110 178.464 0.646 25137 2160 1 4 . 1 1 15 15 PRO CA C 15 65.472 65.472 65.723 -0.251 25137 2161 1 4 . 1 1 15 15 PRO CB C 15 32.462 32.462 31.881 0.581 25137 2162 1 4 . 1 1 16 16 LEU N N 16 118.358 118.358 119.565 -1.207 25137 2163 1 4 . 1 1 16 16 LEU HA H 16 4.131 4.131 4.153 -0.022 25137 2164 1 4 . 1 1 16 16 LEU C C 16 179.260 179.260 178.596 0.664 25137 2165 1 4 . 1 1 16 16 LEU CA C 16 58.306 58.306 57.747 0.559 25137 2166 1 4 . 1 1 16 16 LEU CB C 16 41.731 41.731 41.458 0.273 25137 2167 1 4 . 1 1 16 16 LEU H H 16 8.851 8.851 8.034 0.817 25137 2168 1 4 . 1 1 17 17 ILE N N 17 117.680 117.680 119.062 -1.382 25137 2169 1 4 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.552 0.280 25137 2170 1 4 . 1 1 17 17 ILE C C 17 178.230 178.230 177.775 0.455 25137 2171 1 4 . 1 1 17 17 ILE CA C 17 63.344 63.344 64.942 -1.599 25137 2172 1 4 . 1 1 17 17 ILE CB C 17 36.564 36.564 37.330 -0.766 25137 2173 1 4 . 1 1 17 17 ILE H H 17 6.886 6.886 7.951 -1.065 25137 2174 1 4 . 1 1 18 18 ALA N N 18 122.321 122.321 123.241 -0.920 25137 2175 1 4 . 1 1 18 18 ALA HA H 18 3.720 3.720 3.877 -0.157 25137 2176 1 4 . 1 1 18 18 ALA C C 18 178.900 178.900 179.327 -0.427 25137 2177 1 4 . 1 1 18 18 ALA CA C 18 55.890 55.890 55.398 0.492 25137 2178 1 4 . 1 1 18 18 ALA CB C 18 18.165 18.165 18.230 -0.065 25137 2179 1 4 . 1 1 18 18 ALA H H 18 7.988 7.988 8.596 -0.608 25137 2180 1 4 . 1 1 19 19 MET N N 19 115.807 115.807 118.710 -2.903 25137 2181 1 4 . 1 1 19 19 MET HA H 19 3.999 3.999 4.174 -0.175 25137 2182 1 4 . 1 1 19 19 MET C C 19 177.180 177.180 178.169 -0.989 25137 2183 1 4 . 1 1 19 19 MET CA C 19 58.144 58.144 58.830 -0.686 25137 2184 1 4 . 1 1 19 19 MET CB C 19 32.852 32.852 32.702 0.150 25137 2185 1 4 . 1 1 19 19 MET H H 19 8.204 8.204 8.558 -0.354 25137 2186 1 4 . 1 1 20 20 ASN N N 20 117.843 117.843 119.290 -1.447 25137 2187 1 4 . 1 1 20 20 ASN HA H 20 4.545 4.545 4.656 -0.111 25137 2188 1 4 . 1 1 20 20 ASN C C 20 179.590 179.590 178.179 1.411 25137 2189 1 4 . 1 1 20 20 ASN CA C 20 56.222 56.222 56.372 -0.150 25137 2190 1 4 . 1 1 20 20 ASN CB C 20 38.005 38.005 38.625 -0.620 25137 2191 1 4 . 1 1 20 20 ASN H H 20 7.839 7.839 8.046 -0.207 25137 2192 1 4 . 1 1 21 21 LEU N N 21 121.749 121.749 121.189 0.560 25137 2193 1 4 . 1 1 21 21 LEU HA H 21 4.055 4.055 4.048 0.007 25137 2194 1 4 . 1 1 21 21 LEU C C 21 177.750 177.750 178.817 -1.067 25137 2195 1 4 . 1 1 21 21 LEU CA C 21 58.268 58.268 58.400 -0.132 25137 2196 1 4 . 1 1 21 21 LEU CB C 21 42.605 42.605 41.949 0.656 25137 2197 1 4 . 1 1 21 21 LEU H H 21 8.601 8.601 8.763 -0.162 25137 2198 1 4 . 1 1 22 22 GLN N N 22 120.991 120.991 119.574 1.417 25137 2199 1 4 . 1 1 22 22 GLN HA H 22 3.935 3.935 3.954 -0.019 25137 2200 1 4 . 1 1 22 22 GLN C C 22 178.070 178.070 178.542 -0.472 25137 2201 1 4 . 1 1 22 22 GLN CA C 22 60.463 60.463 59.442 1.021 25137 2202 1 4 . 1 1 22 22 GLN CB C 22 26.902 26.902 28.492 -1.590 25137 2203 1 4 . 1 1 22 22 GLN H H 22 8.749 8.749 8.370 0.379 25137 2204 1 4 . 1 1 23 23 TYR N N 23 117.446 117.446 118.881 -1.435 25137 2205 1 4 . 1 1 23 23 TYR HA H 23 4.517 4.517 4.233 0.284 25137 2206 1 4 . 1 1 23 23 TYR C C 23 178.210 178.210 178.304 -0.094 25137 2207 1 4 . 1 1 23 23 TYR CA C 23 59.425 59.425 60.600 -1.175 25137 2208 1 4 . 1 1 23 23 TYR CB C 23 36.975 36.975 37.745 -0.770 25137 2209 1 4 . 1 1 23 23 TYR H H 23 8.450 8.450 8.353 0.097 25137 2210 1 4 . 1 1 24 24 ALA N N 24 121.627 121.627 123.213 -1.586 25137 2211 1 4 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.025 0.075 25137 2212 1 4 . 1 1 24 24 ALA C C 24 180.910 180.910 179.274 1.636 25137 2213 1 4 . 1 1 24 24 ALA CA C 24 55.060 55.060 54.969 0.091 25137 2214 1 4 . 1 1 24 24 ALA CB C 24 18.070 18.070 18.038 0.032 25137 2215 1 4 . 1 1 24 24 ALA H H 24 7.765 7.765 8.169 -0.404 25137 2216 1 4 . 1 1 25 25 PHE N N 25 115.589 115.589 117.933 -2.344 25137 2217 1 4 . 1 1 25 25 PHE HA H 25 3.940 3.940 4.132 -0.192 25137 2218 1 4 . 1 1 25 25 PHE C C 25 179.090 179.090 178.568 0.522 25137 2219 1 4 . 1 1 25 25 PHE CA C 25 63.453 63.453 62.613 0.840 25137 2220 1 4 . 1 1 25 25 PHE CB C 25 39.484 39.484 38.893 0.591 25137 2221 1 4 . 1 1 25 25 PHE H H 25 8.348 8.348 8.754 -0.406 25137 2222 1 4 . 1 1 26 26 GLU N N 26 121.198 121.198 119.382 1.816 25137 2223 1 4 . 1 1 26 26 GLU HA H 26 4.429 4.429 4.353 0.076 25137 2224 1 4 . 1 1 26 26 GLU C C 26 181.680 181.680 178.684 2.996 25137 2225 1 4 . 1 1 26 26 GLU CA C 26 59.737 59.737 58.756 0.981 25137 2226 1 4 . 1 1 26 26 GLU CB C 26 28.925 28.925 29.471 -0.546 25137 2227 1 4 . 1 1 26 26 GLU H H 26 8.822 8.822 8.345 0.477 25137 2228 1 4 . 1 1 27 27 ASP N N 27 121.846 121.846 119.385 2.461 25137 2229 1 4 . 1 1 27 27 ASP HA H 27 4.468 4.468 4.464 0.004 25137 2230 1 4 . 1 1 27 27 ASP C C 27 177.880 177.880 177.904 -0.024 25137 2231 1 4 . 1 1 27 27 ASP CA C 27 56.996 56.996 56.558 0.438 25137 2232 1 4 . 1 1 27 27 ASP CB C 27 40.640 40.640 41.021 -0.381 25137 2233 1 4 . 1 1 27 27 ASP H H 27 8.424 8.424 8.044 0.380 25137 2234 1 4 . 1 1 28 28 GLU N N 28 115.759 115.759 117.368 -1.609 25137 2235 1 4 . 1 1 28 28 GLU HA H 28 4.331 4.331 4.264 0.067 25137 2236 1 4 . 1 1 28 28 GLU C C 28 176.460 176.460 177.340 -0.880 25137 2237 1 4 . 1 1 28 28 GLU CA C 28 55.395 55.395 56.480 -1.085 25137 2238 1 4 . 1 1 28 28 GLU CB C 28 30.264 30.264 30.387 -0.123 25137 2239 1 4 . 1 1 28 28 GLU H H 28 7.170 7.170 7.729 -0.559 25137 2240 1 4 . 1 1 29 29 GLY N N 29 106.899 106.899 107.153 -0.254 25137 2241 1 4 . 1 1 29 29 GLY C C 29 173.160 173.160 172.787 0.373 25137 2242 1 4 . 1 1 29 29 GLY CA C 29 45.589 45.589 45.103 0.486 25137 2243 1 4 . 1 1 29 29 GLY H H 29 7.889 7.889 7.817 0.072 25137 2244 1 4 . 1 1 30 30 ALA N N 30 121.007 121.007 120.689 0.318 25137 2245 1 4 . 1 1 30 30 ALA HA H 30 4.680 4.680 5.024 -0.344 25137 2246 1 4 . 1 1 30 30 ALA C C 30 175.880 175.880 175.292 0.588 25137 2247 1 4 . 1 1 30 30 ALA CA C 30 50.666 50.666 50.589 0.077 25137 2248 1 4 . 1 1 30 30 ALA CB C 30 21.882 21.882 22.243 -0.361 25137 2249 1 4 . 1 1 30 30 ALA H H 30 7.743 7.743 7.759 -0.016 25137 2250 1 4 . 1 1 31 31 GLU N N 31 120.065 120.065 120.462 -0.397 25137 2251 1 4 . 1 1 31 31 GLU HA H 31 4.664 4.664 4.604 0.060 25137 2252 1 4 . 1 1 31 31 GLU C C 31 175.430 175.430 174.675 0.755 25137 2253 1 4 . 1 1 31 31 GLU CA C 31 55.136 55.136 55.335 -0.199 25137 2254 1 4 . 1 1 31 31 GLU CB C 31 32.126 32.126 31.665 0.462 25137 2255 1 4 . 1 1 31 31 GLU H H 31 8.595 8.595 8.363 0.232 25137 2256 1 4 . 1 1 32 32 VAL N N 32 123.414 123.414 123.737 -0.323 25137 2257 1 4 . 1 1 32 32 VAL HA H 32 4.787 4.787 4.897 -0.110 25137 2258 1 4 . 1 1 32 32 VAL C C 32 175.290 175.290 175.697 -0.407 25137 2259 1 4 . 1 1 32 32 VAL CA C 32 60.802 60.802 60.664 0.138 25137 2260 1 4 . 1 1 32 32 VAL CB C 32 34.991 34.991 34.593 0.398 25137 2261 1 4 . 1 1 32 32 VAL H H 32 8.872 8.872 8.331 0.541 25137 2262 1 4 . 1 1 33 33 VAL N N 33 128.158 128.158 127.030 1.128 25137 2263 1 4 . 1 1 33 33 VAL HA H 33 4.226 4.226 4.373 -0.147 25137 2264 1 4 . 1 1 33 33 VAL C C 33 173.830 173.830 174.317 -0.487 25137 2265 1 4 . 1 1 33 33 VAL CA C 33 60.990 60.990 60.819 0.171 25137 2266 1 4 . 1 1 33 33 VAL CB C 33 33.736 33.736 34.499 -0.763 25137 2267 1 4 . 1 1 33 33 VAL H H 33 9.042 9.042 9.123 -0.081 25137 2268 1 4 . 1 1 34 34 VAL N N 34 126.239 126.239 127.426 -1.187 25137 2269 1 4 . 1 1 34 34 VAL HA H 34 4.751 4.751 4.199 0.552 25137 2270 1 4 . 1 1 34 34 VAL C C 34 175.100 175.100 174.695 0.405 25137 2271 1 4 . 1 1 34 34 VAL CA C 34 61.389 61.389 61.177 0.212 25137 2272 1 4 . 1 1 34 34 VAL CB C 34 33.193 33.193 33.088 0.105 25137 2273 1 4 . 1 1 34 34 VAL H H 34 8.522 8.522 8.436 0.086 25137 2274 1 4 . 1 1 35 35 ALA N N 35 129.955 129.955 130.423 -0.468 25137 2275 1 4 . 1 1 35 35 ALA HA H 35 4.682 4.682 4.787 -0.105 25137 2276 1 4 . 1 1 35 35 ALA C C 35 174.380 174.380 175.584 -1.204 25137 2277 1 4 . 1 1 35 35 ALA CA C 35 50.154 50.154 51.139 -0.985 25137 2278 1 4 . 1 1 35 35 ALA CB C 35 22.922 22.922 22.324 0.598 25137 2279 1 4 . 1 1 35 35 ALA H H 35 9.388 9.388 8.764 0.624 25137 2280 1 4 . 1 1 36 36 ALA N N 36 121.011 121.011 123.442 -2.431 25137 2281 1 4 . 1 1 36 36 ALA HA H 36 4.632 4.632 4.612 0.020 25137 2282 1 4 . 1 1 36 36 ALA C C 36 176.490 176.490 176.563 -0.073 25137 2283 1 4 . 1 1 36 36 ALA CA C 36 51.778 51.778 52.887 -1.109 25137 2284 1 4 . 1 1 36 36 ALA CB C 36 21.506 21.506 19.445 2.061 25137 2285 1 4 . 1 1 36 36 ALA H H 36 8.539 8.539 8.533 0.006 25137 2286 1 4 . 1 1 37 37 THR N N 37 102.880 102.880 106.344 -3.464 25137 2287 1 4 . 1 1 37 37 THR HA H 37 4.620 4.620 4.506 0.114 25137 2288 1 4 . 1 1 37 37 THR C C 37 174.710 174.710 175.426 -0.716 25137 2289 1 4 . 1 1 37 37 THR CA C 37 57.520 57.520 59.897 -2.377 25137 2290 1 4 . 1 1 37 37 THR CB C 37 72.972 72.972 72.043 0.929 25137 2291 1 4 . 1 1 37 37 THR H H 37 7.019 7.019 7.188 -0.169 25137 2292 1 4 . 1 1 38 38 CYS N N 38 120.553 120.553 120.605 -0.052 25137 2293 1 4 . 1 1 38 38 CYS HA H 38 3.677 3.677 4.079 -0.402 25137 2294 1 4 . 1 1 38 38 CYS C C 38 176.020 176.020 176.982 -0.962 25137 2295 1 4 . 1 1 38 38 CYS CA C 38 63.179 63.179 63.966 -0.787 25137 2296 1 4 . 1 1 38 38 CYS CB C 38 26.317 26.317 27.760 -1.443 25137 2297 1 4 . 1 1 38 38 CYS H H 38 9.398 9.398 8.888 0.510 25137 2298 1 4 . 1 1 39 39 GLU N N 39 118.521 118.521 120.412 -1.891 25137 2299 1 4 . 1 1 39 39 GLU HA H 39 3.829 3.829 3.945 -0.116 25137 2300 1 4 . 1 1 39 39 GLU C C 39 179.470 179.470 179.041 0.429 25137 2301 1 4 . 1 1 39 39 GLU CA C 39 60.594 60.594 59.706 0.888 25137 2302 1 4 . 1 1 39 39 GLU CB C 39 28.963 28.963 29.272 -0.309 25137 2303 1 4 . 1 1 39 39 GLU H H 39 8.960 8.960 8.586 0.374 25137 2304 1 4 . 1 1 40 40 GLN N N 40 118.602 118.602 118.792 -0.190 25137 2305 1 4 . 1 1 40 40 GLN HA H 40 4.021 4.021 3.980 0.041 25137 2306 1 4 . 1 1 40 40 GLN C C 40 176.211 176.211 178.375 -2.164 25137 2307 1 4 . 1 1 40 40 GLN CA C 40 58.306 58.306 58.682 -0.376 25137 2308 1 4 . 1 1 40 40 GLN CB C 40 28.925 28.925 28.578 0.347 25137 2309 1 4 . 1 1 40 40 GLN H H 40 7.855 7.855 7.993 -0.138 25137 2310 1 4 . 1 1 41 41 ALA N N 41 122.395 122.395 123.155 -0.760 25137 2311 1 4 . 1 1 41 41 ALA HA H 41 3.735 3.735 3.940 -0.205 25137 2312 1 4 . 1 1 41 41 ALA C C 41 178.440 178.440 179.473 -1.033 25137 2313 1 4 . 1 1 41 41 ALA CA C 41 55.178 55.178 55.307 -0.129 25137 2314 1 4 . 1 1 41 41 ALA CB C 41 19.872 19.872 18.379 1.493 25137 2315 1 4 . 1 1 41 41 ALA H H 41 8.009 8.009 7.662 0.347 25137 2316 1 4 . 1 1 42 42 LEU N N 42 116.832 116.832 118.008 -1.176 25137 2317 1 4 . 1 1 42 42 LEU HA H 42 3.875 3.875 3.861 0.014 25137 2318 1 4 . 1 1 42 42 LEU C C 42 180.080 180.080 179.175 0.905 25137 2319 1 4 . 1 1 42 42 LEU CA C 42 58.011 58.011 57.476 0.535 25137 2320 1 4 . 1 1 42 42 LEU CB C 42 40.961 40.961 41.218 -0.257 25137 2321 1 4 . 1 1 42 42 LEU H H 42 8.497 8.497 8.469 0.028 25137 2322 1 4 . 1 1 43 43 LYS N N 43 121.087 121.087 120.316 0.771 25137 2323 1 4 . 1 1 43 43 LYS HA H 43 4.065 4.065 3.980 0.085 25137 2324 1 4 . 1 1 43 43 LYS C C 43 178.500 178.500 178.996 -0.496 25137 2325 1 4 . 1 1 43 43 LYS CA C 43 59.256 59.256 59.107 0.149 25137 2326 1 4 . 1 1 43 43 LYS CB C 43 32.295 32.295 31.991 0.304 25137 2327 1 4 . 1 1 43 43 LYS H H 43 7.593 7.593 7.804 -0.211 25137 2328 1 4 . 1 1 44 44 SER N N 44 115.150 115.150 115.443 -0.293 25137 2329 1 4 . 1 1 44 44 SER HA H 44 4.130 4.130 4.228 -0.098 25137 2330 1 4 . 1 1 44 44 SER C C 44 176.430 176.430 176.766 -0.336 25137 2331 1 4 . 1 1 44 44 SER CA C 44 62.900 62.900 61.405 1.495 25137 2332 1 4 . 1 1 44 44 SER CB C 44 62.900 62.900 62.917 -0.017 25137 2333 1 4 . 1 1 44 44 SER H H 44 8.100 8.100 7.943 0.157 25137 2334 1 4 . 1 1 45 45 LEU N N 45 120.050 120.050 122.383 -2.333 25137 2335 1 4 . 1 1 45 45 LEU HA H 45 4.121 4.121 4.024 0.097 25137 2336 1 4 . 1 1 45 45 LEU C C 45 177.260 177.260 177.974 -0.714 25137 2337 1 4 . 1 1 45 45 LEU CA C 45 56.770 56.770 57.666 -0.896 25137 2338 1 4 . 1 1 45 45 LEU CB C 45 42.389 42.389 41.736 0.653 25137 2339 1 4 . 1 1 45 45 LEU H H 45 8.050 8.050 8.456 -0.406 25137 2340 1 4 . 1 1 46 46 ALA N N 46 119.940 119.940 119.561 0.379 25137 2341 1 4 . 1 1 46 46 ALA HA H 46 4.093 4.093 4.083 0.010 25137 2342 1 4 . 1 1 46 46 ALA C C 46 179.310 179.310 178.835 0.475 25137 2343 1 4 . 1 1 46 46 ALA CA C 46 54.126 54.126 54.374 -0.248 25137 2344 1 4 . 1 1 46 46 ALA CB C 46 18.412 18.412 18.538 -0.126 25137 2345 1 4 . 1 1 46 46 ALA H H 46 7.360 7.360 7.499 -0.139 25137 2346 1 4 . 1 1 47 47 ASP N N 47 115.277 115.277 118.725 -3.448 25137 2347 1 4 . 1 1 47 47 ASP HA H 47 4.610 4.610 4.532 0.078 25137 2348 1 4 . 1 1 47 47 ASP C C 47 175.930 175.930 176.869 -0.939 25137 2349 1 4 . 1 1 47 47 ASP CA C 47 55.087 55.087 55.256 -0.169 25137 2350 1 4 . 1 1 47 47 ASP CB C 47 42.364 42.364 41.699 0.665 25137 2351 1 4 . 1 1 47 47 ASP H H 47 7.583 7.583 8.049 -0.466 25137 2352 1 4 . 1 1 48 48 ASN N N 48 116.977 116.977 116.779 0.198 25137 2353 1 4 . 1 1 48 48 ASN HA H 48 5.219 5.219 5.142 0.077 25137 2354 1 4 . 1 1 48 48 ASN CA C 48 51.096 51.096 51.065 0.031 25137 2355 1 4 . 1 1 48 48 ASN CB C 48 42.381 42.381 40.012 2.369 25137 2356 1 4 . 1 1 48 48 ASN H H 48 7.727 7.727 8.376 -0.649 25137 2357 1 4 . 1 1 49 49 PRO HA H 49 4.551 4.551 4.610 -0.059 25137 2358 1 4 . 1 1 49 49 PRO C C 49 174.890 174.890 175.451 -0.561 25137 2359 1 4 . 1 1 49 49 PRO CA C 49 62.093 62.093 62.230 -0.137 25137 2360 1 4 . 1 1 49 49 PRO CB C 49 29.940 29.940 31.014 -1.074 25137 2361 1 4 . 1 1 50 50 ILE N N 50 122.280 122.280 123.926 -1.646 25137 2362 1 4 . 1 1 50 50 ILE HA H 50 3.908 3.908 3.919 -0.011 25137 2363 1 4 . 1 1 50 50 ILE C C 50 174.840 174.840 175.908 -1.068 25137 2364 1 4 . 1 1 50 50 ILE CA C 50 58.580 58.580 60.946 -2.366 25137 2365 1 4 . 1 1 50 50 ILE CB C 50 38.850 38.850 37.072 1.778 25137 2366 1 4 . 1 1 50 50 ILE H H 50 7.420 7.420 7.822 -0.402 25137 2367 1 4 . 1 1 51 51 ASP N N 51 123.770 123.770 127.076 -3.306 25137 2368 1 4 . 1 1 51 51 ASP HA H 51 4.749 4.749 4.759 -0.010 25137 2369 1 4 . 1 1 51 51 ASP C C 51 175.114 175.114 175.857 -0.743 25137 2370 1 4 . 1 1 51 51 ASP CA C 51 56.930 56.930 56.128 0.802 25137 2371 1 4 . 1 1 51 51 ASP CB C 51 44.360 44.360 42.726 1.634 25137 2372 1 4 . 1 1 51 51 ASP H H 51 9.310 9.310 8.771 0.539 25137 2373 1 4 . 1 1 52 52 VAL N N 52 114.454 114.454 116.416 -1.962 25137 2374 1 4 . 1 1 52 52 VAL HA H 52 4.874 4.874 5.072 -0.198 25137 2375 1 4 . 1 1 52 52 VAL C C 52 171.129 171.129 173.213 -2.084 25137 2376 1 4 . 1 1 52 52 VAL CA C 52 59.850 59.850 60.023 -0.173 25137 2377 1 4 . 1 1 52 52 VAL CB C 52 32.980 32.980 35.126 -2.146 25137 2378 1 4 . 1 1 52 52 VAL H H 52 7.580 7.580 7.570 0.010 25137 2379 1 4 . 1 1 53 53 ALA N N 53 124.620 124.620 126.027 -1.407 25137 2380 1 4 . 1 1 53 53 ALA HA H 53 5.665 5.665 5.114 0.551 25137 2381 1 4 . 1 1 53 53 ALA C C 53 175.100 175.100 175.052 0.048 25137 2382 1 4 . 1 1 53 53 ALA CA C 53 49.810 49.810 50.637 -0.827 25137 2383 1 4 . 1 1 53 53 ALA CB C 53 25.750 25.750 22.818 2.932 25137 2384 1 4 . 1 1 53 53 ALA H H 53 7.780 7.780 8.263 -0.483 25137 2385 1 4 . 1 1 54 54 VAL N N 54 118.950 118.950 116.994 1.956 25137 2386 1 4 . 1 1 54 54 VAL HA H 54 4.647 4.647 5.424 -0.777 25137 2387 1 4 . 1 1 54 54 VAL C C 54 174.020 174.020 174.160 -0.140 25137 2388 1 4 . 1 1 54 54 VAL CA C 54 61.580 61.580 60.019 1.561 25137 2389 1 4 . 1 1 54 54 VAL CB C 54 34.320 34.320 33.458 0.862 25137 2390 1 4 . 1 1 54 54 VAL H H 54 8.730 8.730 8.760 -0.030 25137 2391 1 4 . 1 1 55 55 LEU N N 55 124.820 124.820 128.460 -3.640 25137 2392 1 4 . 1 1 55 55 LEU HA H 55 4.953 4.953 4.686 0.267 25137 2393 1 4 . 1 1 55 55 LEU C C 55 176.110 176.110 175.450 0.660 25137 2394 1 4 . 1 1 55 55 LEU CA C 55 53.540 53.540 53.929 -0.389 25137 2395 1 4 . 1 1 55 55 LEU CB C 55 42.690 42.690 43.681 -0.991 25137 2396 1 4 . 1 1 55 55 LEU H H 55 9.240 9.240 9.206 0.034 25137 2397 1 4 . 1 1 56 56 ASP N N 56 124.220 124.220 125.554 -1.334 25137 2398 1 4 . 1 1 56 56 ASP HA H 56 5.629 5.629 4.735 0.894 25137 2399 1 4 . 1 1 56 56 ASP C C 56 174.460 174.460 176.140 -1.680 25137 2400 1 4 . 1 1 56 56 ASP CA C 56 52.930 52.930 53.008 -0.078 25137 2401 1 4 . 1 1 56 56 ASP CB C 56 43.400 43.400 41.889 1.511 25137 2402 1 4 . 1 1 56 56 ASP H H 56 8.360 8.360 8.788 -0.428 25137 2403 1 4 . 1 1 57 57 VAL N N 57 119.581 119.581 125.885 -6.304 25137 2404 1 4 . 1 1 57 57 VAL HA H 57 4.239 4.239 3.898 0.341 25137 2405 1 4 . 1 1 57 57 VAL C C 57 175.480 175.480 176.035 -0.555 25137 2406 1 4 . 1 1 57 57 VAL CA C 57 64.564 64.564 62.942 1.622 25137 2407 1 4 . 1 1 57 57 VAL CB C 57 32.520 32.520 31.488 1.032 25137 2408 1 4 . 1 1 57 57 VAL H H 57 7.022 7.022 8.457 -1.435 25137 2409 1 4 . 1 1 58 58 ASN N N 58 114.490 114.490 117.069 -2.579 25137 2410 1 4 . 1 1 58 58 ASN HA H 58 4.693 4.693 4.812 -0.119 25137 2411 1 4 . 1 1 58 58 ASN C C 58 173.400 173.400 175.246 -1.846 25137 2412 1 4 . 1 1 58 58 ASN CA C 58 53.570 53.570 51.826 1.744 25137 2413 1 4 . 1 1 58 58 ASN CB C 58 38.820 38.820 38.852 -0.032 25137 2414 1 4 . 1 1 58 58 ASN H H 58 8.600 8.600 8.330 0.270 25137 2415 1 4 . 1 1 59 59 LEU N N 59 130.670 130.670 120.175 10.495 25137 2416 1 4 . 1 1 59 59 LEU HA H 59 4.647 4.647 4.126 0.521 25137 2417 1 4 . 1 1 59 59 LEU C C 59 175.340 175.340 177.618 -2.278 25137 2418 1 4 . 1 1 59 59 LEU CA C 59 53.550 53.550 56.498 -2.948 25137 2419 1 4 . 1 1 59 59 LEU CB C 59 41.430 41.430 42.248 -0.818 25137 2420 1 4 . 1 1 59 59 LEU H H 59 8.260 8.260 8.046 0.214 25137 2421 1 4 . 1 1 60 60 GLY N N 60 109.030 109.030 103.442 5.588 25137 2422 1 4 . 1 1 60 60 GLY CA C 60 44.610 44.610 45.064 -0.454 25137 2423 1 4 . 1 1 60 60 GLY H H 60 7.860 7.860 7.746 0.114 25137 2424 1 4 . 1 1 61 61 PRO HA H 61 4.385 4.385 4.371 0.014 25137 2425 1 4 . 1 1 61 61 PRO C C 61 177.960 177.960 176.802 1.158 25137 2426 1 4 . 1 1 61 61 PRO CA C 61 64.888 64.888 65.114 -0.226 25137 2427 1 4 . 1 1 61 61 PRO CB C 61 32.070 32.070 32.465 -0.395 25137 2428 1 4 . 1 1 62 62 LYS N N 62 115.984 115.984 113.881 2.103 25137 2429 1 4 . 1 1 62 62 LYS HA H 62 4.524 4.524 4.443 0.081 25137 2430 1 4 . 1 1 62 62 LYS C C 62 175.810 175.810 175.350 0.460 25137 2431 1 4 . 1 1 62 62 LYS CA C 62 55.444 55.444 56.106 -0.662 25137 2432 1 4 . 1 1 62 62 LYS CB C 62 33.216 33.216 33.902 -0.686 25137 2433 1 4 . 1 1 62 62 LYS H H 62 8.625 8.625 7.769 0.856 25137 2434 1 4 . 1 1 63 63 SER N N 63 113.432 113.432 115.524 -2.092 25137 2435 1 4 . 1 1 63 63 SER HA H 63 4.609 4.609 4.228 0.381 25137 2436 1 4 . 1 1 63 63 SER C C 63 172.560 172.560 173.359 -0.799 25137 2437 1 4 . 1 1 63 63 SER CA C 63 57.715 57.715 58.864 -1.149 25137 2438 1 4 . 1 1 63 63 SER CB C 63 64.866 64.866 63.355 1.511 25137 2439 1 4 . 1 1 63 63 SER H H 63 7.389 7.389 7.730 -0.341 25137 2440 1 4 . 1 1 64 64 HIS N N 64 122.580 122.580 117.828 4.752 25137 2441 1 4 . 1 1 64 64 HIS HA H 64 5.833 5.833 4.967 0.866 25137 2442 1 4 . 1 1 64 64 HIS C C 64 176.210 176.210 175.155 1.055 25137 2443 1 4 . 1 1 64 64 HIS CA C 64 54.006 54.006 53.991 0.015 25137 2444 1 4 . 1 1 64 64 HIS CB C 64 34.092 34.092 33.149 0.943 25137 2445 1 4 . 1 1 64 64 HIS H H 64 7.762 7.762 7.861 -0.099 25137 2446 1 4 . 1 1 65 65 CYS N N 65 111.478 111.478 121.501 -10.023 25137 2447 1 4 . 1 1 65 65 CYS HA H 65 4.342 4.342 4.544 -0.202 25137 2448 1 4 . 1 1 65 65 CYS C C 65 175.881 175.881 175.003 0.878 25137 2449 1 4 . 1 1 65 65 CYS CA C 65 57.980 57.980 58.250 -0.270 25137 2450 1 4 . 1 1 65 65 CYS CB C 65 29.790 29.790 26.494 3.296 25137 2451 1 4 . 1 1 65 65 CYS H H 65 7.946 7.946 8.044 -0.098 25137 2452 1 4 . 1 1 66 66 GLY N N 66 120.340 120.340 113.355 6.985 25137 2453 1 4 . 1 1 66 66 GLY CA C 66 48.880 48.880 46.008 2.872 25137 2454 1 4 . 1 1 66 66 GLY H H 66 11.290 11.290 8.224 3.066 25137 2455 1 4 . 1 1 67 67 PRO HA H 67 4.386 4.386 4.249 0.137 25137 2456 1 4 . 1 1 67 67 PRO C C 67 179.860 179.860 178.142 1.718 25137 2457 1 4 . 1 1 67 67 PRO CA C 67 65.388 65.388 65.653 -0.265 25137 2458 1 4 . 1 1 67 67 PRO CB C 67 32.970 32.970 31.368 1.602 25137 2459 1 4 . 1 1 68 68 VAL N N 68 116.564 116.564 116.877 -0.313 25137 2460 1 4 . 1 1 68 68 VAL HA H 68 3.494 3.494 3.589 -0.095 25137 2461 1 4 . 1 1 68 68 VAL C C 68 176.350 176.350 177.420 -1.070 25137 2462 1 4 . 1 1 68 68 VAL CA C 68 64.839 64.839 66.108 -1.269 25137 2463 1 4 . 1 1 68 68 VAL CB C 68 31.396 31.396 31.172 0.224 25137 2464 1 4 . 1 1 68 68 VAL H H 68 7.471 7.471 7.911 -0.440 25137 2465 1 4 . 1 1 69 69 ALA N N 69 122.825 122.825 123.276 -0.451 25137 2466 1 4 . 1 1 69 69 ALA HA H 69 3.085 3.085 3.494 -0.409 25137 2467 1 4 . 1 1 69 69 ALA C C 69 179.280 179.280 178.969 0.311 25137 2468 1 4 . 1 1 69 69 ALA CA C 69 55.209 55.209 55.307 -0.098 25137 2469 1 4 . 1 1 69 69 ALA CB C 69 18.141 18.141 18.113 0.028 25137 2470 1 4 . 1 1 69 69 ALA H H 69 7.880 7.880 7.580 0.300 25137 2471 1 4 . 1 1 70 70 ASP N N 70 116.269 116.269 118.835 -2.566 25137 2472 1 4 . 1 1 70 70 ASP HA H 70 4.314 4.314 4.289 0.025 25137 2473 1 4 . 1 1 70 70 ASP C C 70 178.300 178.300 178.079 0.221 25137 2474 1 4 . 1 1 70 70 ASP CA C 70 57.530 57.530 57.428 0.102 25137 2475 1 4 . 1 1 70 70 ASP CB C 70 40.582 40.582 40.741 -0.159 25137 2476 1 4 . 1 1 70 70 ASP H H 70 8.316 8.316 7.920 0.396 25137 2477 1 4 . 1 1 71 71 ALA N N 71 122.771 122.771 122.739 0.032 25137 2478 1 4 . 1 1 71 71 ALA HA H 71 4.045 4.045 4.210 -0.165 25137 2479 1 4 . 1 1 71 71 ALA C C 71 180.700 180.700 179.765 0.935 25137 2480 1 4 . 1 1 71 71 ALA CA C 71 55.062 55.062 54.944 0.118 25137 2481 1 4 . 1 1 71 71 ALA CB C 71 18.675 18.675 18.553 0.122 25137 2482 1 4 . 1 1 71 71 ALA H H 71 7.156 7.156 7.777 -0.621 25137 2483 1 4 . 1 1 72 72 LEU N N 72 119.021 119.021 118.109 0.912 25137 2484 1 4 . 1 1 72 72 LEU HA H 72 3.824 3.824 3.793 0.031 25137 2485 1 4 . 1 1 72 72 LEU C C 72 179.560 179.560 179.401 0.159 25137 2486 1 4 . 1 1 72 72 LEU CA C 72 58.351 58.351 57.465 0.886 25137 2487 1 4 . 1 1 72 72 LEU CB C 72 40.437 40.437 41.046 -0.609 25137 2488 1 4 . 1 1 72 72 LEU H H 72 8.250 8.250 8.159 0.091 25137 2489 1 4 . 1 1 73 73 LYS N N 73 120.087 120.087 119.126 0.961 25137 2490 1 4 . 1 1 73 73 LYS HA H 73 4.431 4.431 4.136 0.295 25137 2491 1 4 . 1 1 73 73 LYS C C 73 181.310 181.310 179.796 1.514 25137 2492 1 4 . 1 1 73 73 LYS CA C 73 59.307 59.307 58.908 0.399 25137 2493 1 4 . 1 1 73 73 LYS CB C 73 32.404 32.404 31.829 0.575 25137 2494 1 4 . 1 1 73 73 LYS H H 73 8.383 8.383 8.205 0.178 25137 2495 1 4 . 1 1 74 74 GLN N N 74 118.982 118.982 118.327 0.655 25137 2496 1 4 . 1 1 74 74 GLN HA H 74 4.074 4.074 4.117 -0.043 25137 2497 1 4 . 1 1 74 74 GLN C C 74 177.620 177.620 178.101 -0.481 25137 2498 1 4 . 1 1 74 74 GLN CA C 74 58.834 58.834 58.351 0.483 25137 2499 1 4 . 1 1 74 74 GLN CB C 74 28.505 28.505 28.866 -0.361 25137 2500 1 4 . 1 1 74 74 GLN H H 74 8.015 8.015 8.234 -0.219 25137 2501 1 4 . 1 1 75 75 ARG N N 75 116.770 116.770 116.357 0.413 25137 2502 1 4 . 1 1 75 75 ARG HA H 75 4.272 4.272 4.347 -0.075 25137 2503 1 4 . 1 1 75 75 ARG C C 75 174.310 174.310 175.643 -1.333 25137 2504 1 4 . 1 1 75 75 ARG CA C 75 55.950 55.950 55.802 0.148 25137 2505 1 4 . 1 1 75 75 ARG CB C 75 31.780 31.780 30.432 1.348 25137 2506 1 4 . 1 1 75 75 ARG H H 75 7.240 7.240 7.665 -0.425 25137 2507 1 4 . 1 1 76 76 ALA N N 76 122.020 122.020 119.636 2.384 25137 2508 1 4 . 1 1 76 76 ALA HA H 76 4.050 4.050 4.068 -0.018 25137 2509 1 4 . 1 1 76 76 ALA C C 76 176.240 176.240 177.187 -0.947 25137 2510 1 4 . 1 1 76 76 ALA CA C 76 53.170 53.170 52.973 0.197 25137 2511 1 4 . 1 1 76 76 ALA CB C 76 16.650 16.650 16.970 -0.320 25137 2512 1 4 . 1 1 76 76 ALA H H 76 8.065 8.065 7.556 0.509 25137 2513 1 4 . 1 1 77 77 ILE N N 77 122.300 122.300 119.990 2.310 25137 2514 1 4 . 1 1 77 77 ILE HA H 77 4.502 4.502 4.268 0.234 25137 2515 1 4 . 1 1 77 77 ILE CA C 77 58.610 58.610 58.929 -0.319 25137 2516 1 4 . 1 1 77 77 ILE CB C 77 40.000 40.000 39.018 0.982 25137 2517 1 4 . 1 1 77 77 ILE H H 77 8.080 8.080 8.061 0.019 25137 2518 1 4 . 1 1 78 78 PRO HA H 78 4.454 4.454 4.618 -0.164 25137 2519 1 4 . 1 1 78 78 PRO C C 78 174.680 174.680 175.451 -0.771 25137 2520 1 4 . 1 1 78 78 PRO CA C 78 62.622 62.622 62.848 -0.226 25137 2521 1 4 . 1 1 78 78 PRO CB C 78 32.772 32.772 32.126 0.646 25137 2522 1 4 . 1 1 79 79 PHE N N 79 109.800 109.800 117.007 -7.207 25137 2523 1 4 . 1 1 79 79 PHE HA H 79 5.656 5.656 5.415 0.241 25137 2524 1 4 . 1 1 79 79 PHE C C 79 172.780 172.780 173.452 -0.672 25137 2525 1 4 . 1 1 79 79 PHE CA C 79 55.612 55.612 55.724 -0.112 25137 2526 1 4 . 1 1 79 79 PHE CB C 79 42.181 42.181 42.196 -0.015 25137 2527 1 4 . 1 1 79 79 PHE H H 79 7.463 7.463 8.029 -0.566 25137 2528 1 4 . 1 1 80 80 ILE N N 80 114.746 114.746 120.354 -5.608 25137 2529 1 4 . 1 1 80 80 ILE HA H 80 4.545 4.545 4.559 -0.014 25137 2530 1 4 . 1 1 80 80 ILE C C 80 174.750 174.750 175.128 -0.378 25137 2531 1 4 . 1 1 80 80 ILE CA C 80 58.914 58.914 59.655 -0.741 25137 2532 1 4 . 1 1 80 80 ILE CB C 80 43.079 43.079 42.258 0.820 25137 2533 1 4 . 1 1 80 80 ILE H H 80 8.024 8.024 8.917 -0.893 25137 2534 1 4 . 1 1 81 81 LEU N N 81 124.450 124.450 126.627 -2.177 25137 2535 1 4 . 1 1 81 81 LEU HA H 81 5.470 5.470 5.015 0.455 25137 2536 1 4 . 1 1 81 81 LEU C C 81 175.620 175.620 176.275 -0.655 25137 2537 1 4 . 1 1 81 81 LEU CA C 81 53.345 53.345 53.386 -0.041 25137 2538 1 4 . 1 1 81 81 LEU CB C 81 43.304 43.304 39.938 3.366 25137 2539 1 4 . 1 1 81 81 LEU H H 81 8.935 8.935 9.026 -0.091 25137 2540 1 4 . 1 1 82 82 HIS N N 82 126.167 126.167 126.303 -0.136 25137 2541 1 4 . 1 1 82 82 HIS HA H 82 5.880 5.880 5.128 0.752 25137 2542 1 4 . 1 1 82 82 HIS C C 82 172.730 172.730 174.272 -1.542 25137 2543 1 4 . 1 1 82 82 HIS CA C 82 52.947 52.947 53.563 -0.616 25137 2544 1 4 . 1 1 82 82 HIS CB C 82 31.171 31.171 29.281 1.890 25137 2545 1 4 . 1 1 82 82 HIS H H 82 8.828 8.828 8.229 0.599 25137 2546 1 4 . 1 1 83 83 THR N N 83 114.001 114.001 116.030 -2.029 25137 2547 1 4 . 1 1 83 83 THR HA H 83 5.305 5.305 4.907 0.398 25137 2548 1 4 . 1 1 83 83 THR C C 83 172.800 172.800 174.859 -2.059 25137 2549 1 4 . 1 1 83 83 THR CA C 83 58.807 58.807 60.064 -1.257 25137 2550 1 4 . 1 1 83 83 THR CB C 83 69.366 69.366 71.364 -1.998 25137 2551 1 4 . 1 1 83 83 THR H H 83 7.252 7.252 7.544 -0.292 25137 2552 1 4 . 1 1 84 84 GLY N N 84 115.666 115.666 111.525 4.141 25137 2553 1 4 . 1 1 84 84 GLY C C 84 173.764 173.764 173.523 0.241 25137 2554 1 4 . 1 1 84 84 GLY CA C 84 45.284 45.284 44.889 0.395 25137 2555 1 4 . 1 1 84 84 GLY H H 84 8.483 8.483 8.554 -0.071 25137 2556 1 4 . 1 1 85 85 ASP N N 85 123.490 123.490 119.487 4.003 25137 2557 1 4 . 1 1 85 85 ASP HA H 85 4.982 4.982 4.756 0.226 25137 2558 1 4 . 1 1 85 85 ASP C C 85 175.829 175.829 175.362 0.467 25137 2559 1 4 . 1 1 85 85 ASP CA C 85 53.420 53.420 53.901 -0.481 25137 2560 1 4 . 1 1 85 85 ASP CB C 85 41.560 41.560 43.349 -1.789 25137 2561 1 4 . 1 1 85 85 ASP H H 85 8.510 8.510 7.728 0.782 25137 2562 1 4 . 1 1 86 86 LEU N N 86 122.010 122.010 124.989 -2.979 25137 2563 1 4 . 1 1 86 86 LEU HA H 86 3.997 3.997 4.554 -0.557 25137 2564 1 4 . 1 1 86 86 LEU C C 86 178.242 178.242 176.958 1.284 25137 2565 1 4 . 1 1 86 86 LEU CA C 86 57.410 57.410 55.580 1.830 25137 2566 1 4 . 1 1 86 86 LEU CB C 86 42.000 42.000 43.333 -1.333 25137 2567 1 4 . 1 1 86 86 LEU H H 86 8.210 8.210 8.508 -0.298 25137 2568 1 4 . 1 1 87 87 ASP N N 87 117.260 117.260 119.339 -2.079 25137 2569 1 4 . 1 1 87 87 ASP HA H 87 4.535 4.535 4.442 0.093 25137 2570 1 4 . 1 1 87 87 ASP C C 87 178.351 178.351 178.990 -0.639 25137 2571 1 4 . 1 1 87 87 ASP CA C 87 56.010 56.010 56.288 -0.279 25137 2572 1 4 . 1 1 87 87 ASP CB C 87 41.400 41.400 40.669 0.731 25137 2573 1 4 . 1 1 87 87 ASP H H 87 8.290 8.290 7.891 0.399 25137 2574 1 4 . 1 1 88 88 ARG N N 88 120.750 120.750 120.636 0.114 25137 2575 1 4 . 1 1 88 88 ARG HA H 88 4.015 4.015 4.106 -0.091 25137 2576 1 4 . 1 1 88 88 ARG C C 88 177.300 177.300 176.319 0.981 25137 2577 1 4 . 1 1 88 88 ARG CA C 88 58.340 58.340 57.694 0.646 25137 2578 1 4 . 1 1 88 88 ARG CB C 88 30.460 30.460 30.192 0.268 25137 2579 1 4 . 1 1 88 88 ARG H H 88 8.040 8.040 8.848 -0.808 25137 2580 1 4 . 1 1 89 89 HIS N N 89 115.580 115.580 115.093 0.487 25137 2581 1 4 . 1 1 89 89 HIS HA H 89 5.026 5.026 4.846 0.180 25137 2582 1 4 . 1 1 89 89 HIS C C 89 175.670 175.670 175.178 0.492 25137 2583 1 4 . 1 1 89 89 HIS CA C 89 55.300 55.300 55.107 0.193 25137 2584 1 4 . 1 1 89 89 HIS CB C 89 29.890 29.890 30.711 -0.821 25137 2585 1 4 . 1 1 89 89 HIS H H 89 7.900 7.900 7.927 -0.027 25137 2586 1 4 . 1 1 90 90 GLY N N 90 108.320 108.320 108.876 -0.556 25137 2587 1 4 . 1 1 90 90 GLY C C 90 175.880 175.880 175.297 0.583 25137 2588 1 4 . 1 1 90 90 GLY CA C 90 48.310 48.310 47.075 1.235 25137 2589 1 4 . 1 1 90 90 GLY H H 90 7.790 7.790 7.715 0.075 25137 2590 1 4 . 1 1 91 91 GLU N N 91 120.490 120.490 120.053 0.437 25137 2591 1 4 . 1 1 91 91 GLU HA H 91 4.043 4.043 4.053 -0.011 25137 2592 1 4 . 1 1 91 91 GLU C C 91 178.410 178.410 178.252 0.158 25137 2593 1 4 . 1 1 91 91 GLU CA C 91 59.200 59.200 58.460 0.740 25137 2594 1 4 . 1 1 91 91 GLU CB C 91 29.240 29.240 28.935 0.305 25137 2595 1 4 . 1 1 91 91 GLU H H 91 8.580 8.580 8.408 0.172 25137 2596 1 4 . 1 1 92 92 LEU N N 92 121.740 121.740 121.059 0.681 25137 2597 1 4 . 1 1 92 92 LEU HA H 92 4.048 4.048 4.102 -0.054 25137 2598 1 4 . 1 1 92 92 LEU C C 92 178.630 178.630 178.322 0.308 25137 2599 1 4 . 1 1 92 92 LEU CA C 92 57.690 57.690 57.513 0.177 25137 2600 1 4 . 1 1 92 92 LEU CB C 92 41.820 41.820 41.805 0.015 25137 2601 1 4 . 1 1 92 92 LEU H H 92 7.690 7.690 7.550 0.140 25137 2602 1 4 . 1 1 93 93 LEU N N 93 117.310 117.310 119.131 -1.821 25137 2603 1 4 . 1 1 93 93 LEU HA H 93 3.881 3.881 3.805 0.076 25137 2604 1 4 . 1 1 93 93 LEU C C 93 174.967 174.967 178.803 -3.836 25137 2605 1 4 . 1 1 93 93 LEU CA C 93 57.940 57.940 58.284 -0.344 25137 2606 1 4 . 1 1 93 93 LEU CB C 93 40.640 40.640 41.181 -0.541 25137 2607 1 4 . 1 1 93 93 LEU H H 93 8.160 8.160 8.535 -0.375 25137 2608 1 4 . 1 1 94 94 ARG N N 94 117.940 117.940 117.650 0.290 25137 2609 1 4 . 1 1 94 94 ARG HA H 94 4.120 4.120 4.124 -0.004 25137 2610 1 4 . 1 1 94 94 ARG C C 94 177.870 177.870 177.736 0.134 25137 2611 1 4 . 1 1 94 94 ARG CA C 94 58.450 58.450 58.711 -0.261 25137 2612 1 4 . 1 1 94 94 ARG CB C 94 30.370 30.370 29.695 0.675 25137 2613 1 4 . 1 1 94 94 ARG H H 94 7.770 7.770 8.017 -0.247 25137 2614 1 4 . 1 1 95 95 LYS N N 95 118.380 118.380 118.006 0.374 25137 2615 1 4 . 1 1 95 95 LYS HA H 95 4.160 4.160 4.162 -0.002 25137 2616 1 4 . 1 1 95 95 LYS C C 95 177.730 177.730 178.140 -0.410 25137 2617 1 4 . 1 1 95 95 LYS CA C 95 57.600 57.600 58.503 -0.903 25137 2618 1 4 . 1 1 95 95 LYS CB C 95 32.770 32.770 32.881 -0.111 25137 2619 1 4 . 1 1 95 95 LYS H H 95 7.640 7.640 7.528 0.112 25137 2620 1 4 . 1 1 96 96 ILE N N 96 120.160 120.160 117.828 2.332 25137 2621 1 4 . 1 1 96 96 ILE HA H 96 3.781 3.781 3.921 -0.140 25137 2622 1 4 . 1 1 96 96 ILE C C 96 175.840 175.840 175.659 0.181 25137 2623 1 4 . 1 1 96 96 ILE CA C 96 63.720 63.720 63.880 -0.160 25137 2624 1 4 . 1 1 96 96 ILE CB C 96 38.670 38.670 38.763 -0.093 25137 2625 1 4 . 1 1 96 96 ILE H H 96 7.980 7.980 7.439 0.541 25137 2626 1 4 . 1 1 97 97 ASP N N 97 120.510 120.510 119.353 1.157 25137 2627 1 4 . 1 1 97 97 ASP HA H 97 4.380 4.380 4.204 0.176 25137 2628 1 4 . 1 1 97 97 ASP C C 97 173.580 173.580 173.880 -0.300 25137 2629 1 4 . 1 1 97 97 ASP CA C 97 54.300 54.300 55.145 -0.845 25137 2630 1 4 . 1 1 97 97 ASP CB C 97 39.490 39.490 40.192 -0.702 25137 2631 1 4 . 1 1 97 97 ASP H H 97 8.160 8.160 8.293 -0.133 25137 2632 1 4 . 1 1 98 98 ALA N N 98 123.800 123.800 122.724 1.076 25137 2633 1 4 . 1 1 98 98 ALA HA H 98 4.550 4.550 4.556 -0.006 25137 2634 1 4 . 1 1 98 98 ALA CA C 98 49.860 49.860 50.590 -0.730 25137 2635 1 4 . 1 1 98 98 ALA CB C 98 21.070 21.070 20.354 0.716 25137 2636 1 4 . 1 1 98 98 ALA H H 98 7.680 7.680 8.062 -0.382 25137 2637 1 4 . 1 1 99 99 PRO HA H 99 4.370 4.370 4.439 -0.069 25137 2638 1 4 . 1 1 99 99 PRO C C 99 174.760 174.760 175.552 -0.792 25137 2639 1 4 . 1 1 99 99 PRO CA C 99 62.950 62.950 63.313 -0.363 25137 2640 1 4 . 1 1 99 99 PRO CB C 99 32.310 32.310 31.978 0.332 25137 2641 1 4 . 1 1 100 100 VAL N N 100 120.490 120.490 122.356 -1.866 25137 2642 1 4 . 1 1 100 100 VAL HA H 100 4.832 4.832 4.590 0.242 25137 2643 1 4 . 1 1 100 100 VAL C C 100 176.650 176.650 175.547 1.103 25137 2644 1 4 . 1 1 100 100 VAL CA C 100 60.450 60.450 61.463 -1.013 25137 2645 1 4 . 1 1 100 100 VAL CB C 100 34.830 34.830 34.395 0.435 25137 2646 1 4 . 1 1 100 100 VAL H H 100 8.270 8.270 8.232 0.038 25137 2647 1 4 . 1 1 101 101 MET N N 101 127.420 127.420 126.714 0.706 25137 2648 1 4 . 1 1 101 101 MET HA H 101 4.705 4.705 4.694 0.011 25137 2649 1 4 . 1 1 101 101 MET C C 101 174.490 174.490 174.821 -0.331 25137 2650 1 4 . 1 1 101 101 MET CA C 101 54.730 54.730 53.370 1.360 25137 2651 1 4 . 1 1 101 101 MET CB C 101 34.560 34.560 32.256 2.304 25137 2652 1 4 . 1 1 101 101 MET H H 101 9.240 9.240 9.240 -0.000 25137 2653 1 4 . 1 1 102 102 ALA N N 102 128.590 128.590 127.929 0.661 25137 2654 1 4 . 1 1 102 102 ALA HA H 102 4.608 4.608 4.649 -0.041 25137 2655 1 4 . 1 1 102 102 ALA C C 102 177.935 177.935 176.852 1.083 25137 2656 1 4 . 1 1 102 102 ALA CA C 102 51.930 51.930 52.073 -0.143 25137 2657 1 4 . 1 1 102 102 ALA CB C 102 19.040 19.040 20.014 -0.974 25137 2658 1 4 . 1 1 102 102 ALA H H 102 8.760 8.760 8.477 0.283 25137 2659 1 4 . 1 1 103 103 LYS N N 103 120.200 120.200 123.414 -3.214 25137 2660 1 4 . 1 1 103 103 LYS HA H 103 4.284 4.284 4.830 -0.546 25137 2661 1 4 . 1 1 103 103 LYS CA C 103 54.370 54.370 54.356 0.014 25137 2662 1 4 . 1 1 103 103 LYS CB C 103 34.190 34.190 32.450 1.740 25137 2663 1 4 . 1 1 103 103 LYS H H 103 7.300 7.300 8.041 -0.741 25137 2664 1 4 . 1 1 104 104 PRO HA H 104 4.611 4.611 4.529 0.082 25137 2665 1 4 . 1 1 104 104 PRO C C 104 174.980 174.980 175.859 -0.879 25137 2666 1 4 . 1 1 104 104 PRO CA C 104 62.626 62.626 62.895 -0.269 25137 2667 1 4 . 1 1 104 104 PRO CB C 104 33.867 33.867 32.081 1.786 25137 2668 1 4 . 1 1 105 105 ALA N N 105 125.082 125.082 125.047 0.035 25137 2669 1 4 . 1 1 105 105 ALA HA H 105 4.576 4.576 4.466 0.110 25137 2670 1 4 . 1 1 105 105 ALA C C 105 176.890 176.890 175.946 0.944 25137 2671 1 4 . 1 1 105 105 ALA CA C 105 51.177 51.177 51.217 -0.040 25137 2672 1 4 . 1 1 105 105 ALA CB C 105 21.735 21.735 21.405 0.330 25137 2673 1 4 . 1 1 105 105 ALA H H 105 8.668 8.668 8.198 0.470 25137 2674 1 4 . 1 1 106 106 ASP N N 106 122.306 122.306 124.826 -2.520 25137 2675 1 4 . 1 1 106 106 ASP HA H 106 4.636 4.636 4.592 0.044 25137 2676 1 4 . 1 1 106 106 ASP C C 106 178.383 178.383 177.732 0.651 25137 2677 1 4 . 1 1 106 106 ASP CA C 106 54.312 54.312 54.337 -0.025 25137 2678 1 4 . 1 1 106 106 ASP CB C 106 41.260 41.260 42.173 -0.913 25137 2679 1 4 . 1 1 106 106 ASP H H 106 8.867 8.867 8.447 0.420 25137 2680 1 4 . 1 1 107 107 THR N N 107 119.540 119.540 119.378 0.162 25137 2681 1 4 . 1 1 107 107 THR HA H 107 3.573 3.573 4.002 -0.429 25137 2682 1 4 . 1 1 107 107 THR C C 107 176.393 176.393 176.374 0.019 25137 2683 1 4 . 1 1 107 107 THR CA C 107 65.940 65.940 65.580 0.360 25137 2684 1 4 . 1 1 107 107 THR CB C 107 68.191 68.191 68.611 -0.420 25137 2685 1 4 . 1 1 107 107 THR H H 107 8.658 8.658 8.532 0.126 25137 2686 1 4 . 1 1 108 108 SER N N 108 117.095 117.095 117.371 -0.276 25137 2687 1 4 . 1 1 108 108 SER HA H 108 4.140 4.140 4.048 0.092 25137 2688 1 4 . 1 1 108 108 SER C C 108 176.143 176.143 175.884 0.259 25137 2689 1 4 . 1 1 108 108 SER CA C 108 61.650 61.650 61.662 -0.012 25137 2690 1 4 . 1 1 108 108 SER CB C 108 62.450 62.450 62.847 -0.397 25137 2691 1 4 . 1 1 108 108 SER H H 108 8.480 8.480 8.161 0.319 25137 2692 1 4 . 1 1 109 109 ASP N N 109 122.520 122.520 122.518 0.002 25137 2693 1 4 . 1 1 109 109 ASP HA H 109 4.400 4.400 4.332 0.068 25137 2694 1 4 . 1 1 109 109 ASP C C 109 178.499 178.499 178.510 -0.011 25137 2695 1 4 . 1 1 109 109 ASP CA C 109 56.990 56.990 57.951 -0.961 25137 2696 1 4 . 1 1 109 109 ASP CB C 109 40.560 40.560 40.953 -0.393 25137 2697 1 4 . 1 1 109 109 ASP H H 109 7.350 7.350 7.648 -0.298 25137 2698 1 4 . 1 1 110 110 VAL N N 110 120.210 120.210 119.887 0.323 25137 2699 1 4 . 1 1 110 110 VAL HA H 110 3.262 3.262 3.505 -0.243 25137 2700 1 4 . 1 1 110 110 VAL C C 110 176.535 176.535 177.785 -1.250 25137 2701 1 4 . 1 1 110 110 VAL CA C 110 66.090 66.090 66.106 -0.016 25137 2702 1 4 . 1 1 110 110 VAL CB C 110 31.400 31.400 31.367 0.032 25137 2703 1 4 . 1 1 110 110 VAL H H 110 7.440 7.440 8.205 -0.765 25137 2704 1 4 . 1 1 111 111 ALA N N 111 118.790 118.790 121.677 -2.887 25137 2705 1 4 . 1 1 111 111 ALA HA H 111 3.264 3.264 2.633 0.631 25137 2706 1 4 . 1 1 111 111 ALA C C 111 179.030 179.030 179.051 -0.021 25137 2707 1 4 . 1 1 111 111 ALA CA C 111 54.590 54.590 54.664 -0.074 25137 2708 1 4 . 1 1 111 111 ALA CB C 111 16.480 16.480 17.412 -0.932 25137 2709 1 4 . 1 1 111 111 ALA H H 111 7.610 7.610 7.897 -0.287 25137 2710 1 4 . 1 1 112 112 LYS N N 112 115.540 115.540 118.731 -3.191 25137 2711 1 4 . 1 1 112 112 LYS HA H 112 3.750 3.750 3.854 -0.104 25137 2712 1 4 . 1 1 112 112 LYS C C 112 179.470 179.470 179.230 0.240 25137 2713 1 4 . 1 1 112 112 LYS CA C 112 60.020 60.020 59.817 0.203 25137 2714 1 4 . 1 1 112 112 LYS CB C 112 32.680 32.680 32.283 0.397 25137 2715 1 4 . 1 1 112 112 LYS H H 112 7.840 7.840 8.058 -0.218 25137 2716 1 4 . 1 1 113 113 ARG N N 113 118.590 118.590 117.755 0.835 25137 2717 1 4 . 1 1 113 113 ARG HA H 113 4.021 4.021 4.060 -0.039 25137 2718 1 4 . 1 1 113 113 ARG C C 113 179.120 179.120 178.716 0.404 25137 2719 1 4 . 1 1 113 113 ARG CA C 113 58.180 58.180 58.198 -0.018 25137 2720 1 4 . 1 1 113 113 ARG CB C 113 29.530 29.530 29.348 0.182 25137 2721 1 4 . 1 1 113 113 ARG H H 113 7.860 7.860 8.139 -0.279 25137 2722 1 4 . 1 1 114 114 ALA N N 114 120.520 120.520 121.955 -1.435 25137 2723 1 4 . 1 1 114 114 ALA HA H 114 4.046 4.046 4.219 -0.173 25137 2724 1 4 . 1 1 114 114 ALA C C 114 179.280 179.280 180.081 -0.801 25137 2725 1 4 . 1 1 114 114 ALA CA C 114 55.070 55.070 54.768 0.302 25137 2726 1 4 . 1 1 114 114 ALA CB C 114 17.920 17.920 18.813 -0.893 25137 2727 1 4 . 1 1 114 114 ALA H H 114 8.190 8.190 7.569 0.621 25137 2728 1 4 . 1 1 115 115 LEU N N 115 115.820 115.820 118.695 -2.875 25137 2729 1 4 . 1 1 115 115 LEU HA H 115 4.225 4.225 4.060 0.165 25137 2730 1 4 . 1 1 115 115 LEU C C 115 180.490 180.490 179.715 0.775 25137 2731 1 4 . 1 1 115 115 LEU CA C 115 57.600 57.600 57.516 0.084 25137 2732 1 4 . 1 1 115 115 LEU CB C 115 40.590 40.590 41.452 -0.862 25137 2733 1 4 . 1 1 115 115 LEU H H 115 8.320 8.320 8.496 -0.176 25137 2734 1 4 . 1 1 116 116 GLU N N 116 119.789 119.789 119.493 0.296 25137 2735 1 4 . 1 1 116 116 GLU HA H 116 4.109 4.109 4.103 0.006 25137 2736 1 4 . 1 1 116 116 GLU C C 116 178.790 178.790 178.364 0.426 25137 2737 1 4 . 1 1 116 116 GLU CA C 116 58.625 58.625 59.005 -0.380 25137 2738 1 4 . 1 1 116 116 GLU CB C 116 29.548 29.548 29.154 0.394 25137 2739 1 4 . 1 1 116 116 GLU H H 116 7.904 7.904 8.298 -0.394 25137 2740 1 4 . 1 1 117 117 MET N N 117 116.426 116.426 115.471 0.955 25137 2741 1 4 . 1 1 117 117 MET HA H 117 4.245 4.245 4.421 -0.176 25137 2742 1 4 . 1 1 117 117 MET C C 117 176.890 176.890 176.495 0.395 25137 2743 1 4 . 1 1 117 117 MET CA C 117 57.638 57.638 56.725 0.913 25137 2744 1 4 . 1 1 117 117 MET CB C 117 33.467 33.467 33.236 0.231 25137 2745 1 4 . 1 1 117 117 MET H H 117 7.712 7.712 7.647 0.065 25137 2746 1 4 . 1 1 118 118 CYS N N 118 113.993 113.993 121.064 -7.071 25137 2747 1 4 . 1 1 118 118 CYS HA H 118 4.699 4.699 4.610 0.089 25137 2748 1 4 . 1 1 118 118 CYS C C 118 174.750 174.750 174.257 0.493 25137 2749 1 4 . 1 1 118 118 CYS CA C 118 58.541 58.541 58.765 -0.224 25137 2750 1 4 . 1 1 118 118 CYS CB C 118 28.552 28.552 27.534 1.018 25137 2751 1 4 . 1 1 118 118 CYS H H 118 7.428 7.428 7.969 -0.541 25137 2752 1 4 . 1 1 119 119 GLY N N 119 109.823 109.823 113.780 -3.957 25137 2753 1 4 . 1 1 119 119 GLY C C 119 174.660 174.660 175.032 -0.372 25137 2754 1 4 . 1 1 119 119 GLY CA C 119 45.709 45.709 45.127 0.582 25137 2755 1 4 . 1 1 119 119 GLY H H 119 8.056 8.056 8.234 -0.178 25137 2756 1 4 . 1 1 120 120 GLY N N 120 108.821 108.821 108.317 0.504 25137 2757 1 4 . 1 1 120 120 GLY C C 120 173.790 173.790 173.525 0.265 25137 2758 1 4 . 1 1 120 120 GLY CA C 120 45.326 45.326 44.800 0.526 25137 2759 1 4 . 1 1 120 120 GLY H H 120 8.301 8.301 8.012 0.289 25137 2760 1 4 . 1 1 121 121 ASP N N 121 120.383 120.383 119.527 0.856 25137 2761 1 4 . 1 1 121 121 ASP HA H 121 4.591 4.591 4.356 0.235 25137 2762 1 4 . 1 1 121 121 ASP C C 121 176.160 176.160 176.001 0.159 25137 2763 1 4 . 1 1 121 121 ASP CA C 121 54.313 54.313 54.654 -0.341 25137 2764 1 4 . 1 1 121 121 ASP CB C 121 41.079 41.079 41.085 -0.006 25137 2765 1 4 . 1 1 121 121 ASP H H 121 8.438 8.438 7.772 0.666 25137 2766 1 4 . 1 1 122 122 LYS N N 122 121.450 121.450 122.293 -0.843 25137 2767 1 4 . 1 1 122 122 LYS HA H 122 4.350 4.350 4.017 0.333 25137 2768 1 4 . 1 1 122 122 LYS C C 122 177.184 177.184 175.111 2.073 25137 2769 1 4 . 1 1 122 122 LYS CA C 122 55.890 55.890 56.847 -0.957 25137 2770 1 4 . 1 1 122 122 LYS CB C 122 33.190 33.190 31.357 1.833 25137 2771 1 4 . 1 1 122 122 LYS H H 122 8.258 8.258 8.371 -0.113 25137 2772 1 4 . 1 1 123 123 GLU N N 123 123.560 123.560 122.510 1.050 25137 2773 1 4 . 1 1 123 123 GLU HA H 123 4.550 4.550 4.565 -0.015 25137 2774 1 4 . 1 1 123 123 GLU CA C 123 54.470 54.470 55.300 -0.830 25137 2775 1 4 . 1 1 123 123 GLU CB C 123 29.640 29.640 30.177 -0.537 25137 2776 1 4 . 1 1 123 123 GLU H H 123 8.420 8.420 8.355 0.065 25137 2777 1 4 . 1 1 124 124 PRO HA H 124 4.384 4.384 4.594 -0.210 25137 2778 1 4 . 1 1 124 124 PRO C C 124 175.770 175.770 175.906 -0.136 25137 2779 1 4 . 1 1 124 124 PRO CA C 124 63.350 63.350 62.766 0.584 25137 2780 1 4 . 1 1 124 124 PRO CB C 124 32.300 32.300 32.812 -0.512 25137 2781 1 5 . 1 1 2 2 ALA N N 2 123.423 123.423 124.121 -0.698 25137 2782 1 5 . 1 1 2 2 ALA HA H 2 4.357 4.357 4.454 -0.097 25137 2783 1 5 . 1 1 2 2 ALA C C 2 177.811 177.811 177.628 0.183 25137 2784 1 5 . 1 1 2 2 ALA CA C 2 52.652 52.652 52.081 0.570 25137 2785 1 5 . 1 1 2 2 ALA CB C 2 19.488 19.488 19.495 -0.007 25137 2786 1 5 . 1 1 2 2 ALA H H 2 7.983 7.983 8.072 -0.089 25137 2787 1 5 . 1 1 3 3 MET N N 3 119.390 119.390 120.681 -1.291 25137 2788 1 5 . 1 1 3 3 MET HA H 3 4.482 4.482 4.306 0.176 25137 2789 1 5 . 1 1 3 3 MET C C 3 176.569 176.569 176.250 0.319 25137 2790 1 5 . 1 1 3 3 MET CA C 3 55.570 55.570 56.444 -0.874 25137 2791 1 5 . 1 1 3 3 MET CB C 3 32.900 32.900 32.963 -0.063 25137 2792 1 5 . 1 1 3 3 MET H H 3 8.570 8.570 8.623 -0.053 25137 2793 1 5 . 1 1 4 4 GLY N N 4 110.130 110.130 106.752 3.378 25137 2794 1 5 . 1 1 4 4 GLY C C 4 173.630 173.630 172.949 0.681 25137 2795 1 5 . 1 1 4 4 GLY CA C 4 45.270 45.270 44.743 0.527 25137 2796 1 5 . 1 1 4 4 GLY H H 4 8.370 8.370 7.640 0.730 25137 2797 1 5 . 1 1 5 5 MET N N 5 121.570 121.570 121.680 -0.110 25137 2798 1 5 . 1 1 5 5 MET HA H 5 4.780 4.780 5.109 -0.329 25137 2799 1 5 . 1 1 5 5 MET CA C 5 53.630 53.630 53.264 0.366 25137 2800 1 5 . 1 1 5 5 MET CB C 5 33.140 33.140 33.853 -0.713 25137 2801 1 5 . 1 1 5 5 MET H H 5 8.210 8.210 8.251 -0.041 25137 2802 1 5 . 1 1 6 6 PRO HA H 6 4.505 4.505 4.552 -0.047 25137 2803 1 5 . 1 1 6 6 PRO C C 6 174.520 174.520 175.657 -1.137 25137 2804 1 5 . 1 1 6 6 PRO CA C 6 62.980 62.980 62.267 0.713 25137 2805 1 5 . 1 1 6 6 PRO CB C 6 32.400 32.400 32.300 0.100 25137 2806 1 5 . 1 1 7 7 LYS N N 7 123.443 123.443 125.845 -2.402 25137 2807 1 5 . 1 1 7 7 LYS HA H 7 5.000 5.000 4.693 0.307 25137 2808 1 5 . 1 1 7 7 LYS C C 7 175.920 175.920 176.012 -0.092 25137 2809 1 5 . 1 1 7 7 LYS CA C 7 54.911 54.911 55.377 -0.466 25137 2810 1 5 . 1 1 7 7 LYS CB C 7 33.635 33.635 32.487 1.148 25137 2811 1 5 . 1 1 7 7 LYS H H 7 9.675 9.675 9.130 0.545 25137 2812 1 5 . 1 1 8 8 VAL N N 8 125.859 125.859 127.836 -1.977 25137 2813 1 5 . 1 1 8 8 VAL HA H 8 4.723 4.723 4.963 -0.240 25137 2814 1 5 . 1 1 8 8 VAL C C 8 174.630 174.630 174.229 0.401 25137 2815 1 5 . 1 1 8 8 VAL CA C 8 59.726 59.726 61.194 -1.468 25137 2816 1 5 . 1 1 8 8 VAL CB C 8 34.991 34.991 33.266 1.725 25137 2817 1 5 . 1 1 8 8 VAL H H 8 8.851 8.851 9.128 -0.277 25137 2818 1 5 . 1 1 9 9 LEU N N 9 127.114 127.114 128.863 -1.749 25137 2819 1 5 . 1 1 9 9 LEU HA H 9 5.190 5.190 5.080 0.110 25137 2820 1 5 . 1 1 9 9 LEU C C 9 174.090 174.090 174.717 -0.627 25137 2821 1 5 . 1 1 9 9 LEU CA C 9 53.090 53.090 53.311 -0.221 25137 2822 1 5 . 1 1 9 9 LEU CB C 9 45.007 45.007 44.551 0.456 25137 2823 1 5 . 1 1 9 9 LEU H H 9 7.881 7.881 8.676 -0.795 25137 2824 1 5 . 1 1 10 10 VAL N N 10 128.024 128.024 127.890 0.134 25137 2825 1 5 . 1 1 10 10 VAL HA H 10 4.647 4.647 4.634 0.013 25137 2826 1 5 . 1 1 10 10 VAL C C 10 172.900 172.900 173.993 -1.093 25137 2827 1 5 . 1 1 10 10 VAL CA C 10 61.206 61.206 61.233 -0.027 25137 2828 1 5 . 1 1 10 10 VAL CB C 10 34.541 34.541 33.018 1.523 25137 2829 1 5 . 1 1 10 10 VAL H H 10 8.952 8.952 9.121 -0.169 25137 2830 1 5 . 1 1 11 11 LEU N N 11 128.979 128.979 129.846 -0.867 25137 2831 1 5 . 1 1 11 11 LEU HA H 11 5.504 5.504 5.330 0.174 25137 2832 1 5 . 1 1 11 11 LEU C C 11 174.450 174.450 175.323 -0.873 25137 2833 1 5 . 1 1 11 11 LEU CA C 11 52.328 52.328 52.919 -0.591 25137 2834 1 5 . 1 1 11 11 LEU CB C 11 45.000 45.000 41.609 3.391 25137 2835 1 5 . 1 1 11 11 LEU H H 11 8.433 8.433 9.235 -0.802 25137 2836 1 5 . 1 1 12 12 GLU N N 12 128.158 128.158 124.896 3.262 25137 2837 1 5 . 1 1 12 12 GLU HA H 12 4.294 4.294 4.567 -0.273 25137 2838 1 5 . 1 1 12 12 GLU C C 12 173.120 173.120 174.421 -1.301 25137 2839 1 5 . 1 1 12 12 GLU CA C 12 56.964 56.964 56.390 0.574 25137 2840 1 5 . 1 1 12 12 GLU CB C 12 32.201 32.201 32.677 -0.476 25137 2841 1 5 . 1 1 12 12 GLU H H 12 8.532 8.532 8.481 0.051 25137 2842 1 5 . 1 1 13 13 ASP N N 13 123.077 123.077 124.963 -1.886 25137 2843 1 5 . 1 1 13 13 ASP HA H 13 4.659 4.659 4.569 0.090 25137 2844 1 5 . 1 1 13 13 ASP C C 13 176.090 176.090 176.770 -0.680 25137 2845 1 5 . 1 1 13 13 ASP CA C 13 55.140 55.140 55.157 -0.017 25137 2846 1 5 . 1 1 13 13 ASP CB C 13 40.524 40.524 41.616 -1.092 25137 2847 1 5 . 1 1 13 13 ASP H H 13 8.803 8.803 8.657 0.146 25137 2848 1 5 . 1 1 14 14 GLU N N 14 126.685 126.685 120.896 5.789 25137 2849 1 5 . 1 1 14 14 GLU HA H 14 4.809 4.809 4.621 0.188 25137 2850 1 5 . 1 1 14 14 GLU CA C 14 54.574 54.574 53.878 0.696 25137 2851 1 5 . 1 1 14 14 GLU CB C 14 29.310 29.310 28.981 0.329 25137 2852 1 5 . 1 1 14 14 GLU H H 14 10.077 10.077 8.372 1.705 25137 2853 1 5 . 1 1 15 15 PRO HA H 15 4.273 4.273 4.220 0.053 25137 2854 1 5 . 1 1 15 15 PRO C C 15 179.110 179.110 178.094 1.016 25137 2855 1 5 . 1 1 15 15 PRO CA C 15 65.472 65.472 65.836 -0.364 25137 2856 1 5 . 1 1 15 15 PRO CB C 15 32.462 32.462 31.770 0.692 25137 2857 1 5 . 1 1 16 16 LEU N N 16 118.358 118.358 118.325 0.033 25137 2858 1 5 . 1 1 16 16 LEU HA H 16 4.131 4.131 4.115 0.016 25137 2859 1 5 . 1 1 16 16 LEU C C 16 179.260 179.260 178.483 0.777 25137 2860 1 5 . 1 1 16 16 LEU CA C 16 58.306 58.306 57.974 0.332 25137 2861 1 5 . 1 1 16 16 LEU CB C 16 41.731 41.731 41.772 -0.041 25137 2862 1 5 . 1 1 16 16 LEU H H 16 8.851 8.851 7.829 1.022 25137 2863 1 5 . 1 1 17 17 ILE N N 17 117.680 117.680 119.541 -1.861 25137 2864 1 5 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.728 0.104 25137 2865 1 5 . 1 1 17 17 ILE C C 17 178.230 178.230 177.785 0.445 25137 2866 1 5 . 1 1 17 17 ILE CA C 17 63.344 63.344 64.547 -1.203 25137 2867 1 5 . 1 1 17 17 ILE CB C 17 36.564 36.564 37.182 -0.618 25137 2868 1 5 . 1 1 17 17 ILE H H 17 6.886 6.886 7.531 -0.645 25137 2869 1 5 . 1 1 18 18 ALA N N 18 122.321 122.321 122.542 -0.221 25137 2870 1 5 . 1 1 18 18 ALA HA H 18 3.720 3.720 3.983 -0.263 25137 2871 1 5 . 1 1 18 18 ALA C C 18 178.900 178.900 179.587 -0.687 25137 2872 1 5 . 1 1 18 18 ALA CA C 18 55.890 55.890 55.402 0.488 25137 2873 1 5 . 1 1 18 18 ALA CB C 18 18.165 18.165 18.105 0.060 25137 2874 1 5 . 1 1 18 18 ALA H H 18 7.988 7.988 8.618 -0.630 25137 2875 1 5 . 1 1 19 19 MET N N 19 115.807 115.807 119.368 -3.561 25137 2876 1 5 . 1 1 19 19 MET HA H 19 3.999 3.999 3.802 0.197 25137 2877 1 5 . 1 1 19 19 MET C C 19 177.180 177.180 178.220 -1.040 25137 2878 1 5 . 1 1 19 19 MET CA C 19 58.144 58.144 59.289 -1.145 25137 2879 1 5 . 1 1 19 19 MET CB C 19 32.852 32.852 32.575 0.277 25137 2880 1 5 . 1 1 19 19 MET H H 19 8.204 8.204 8.461 -0.257 25137 2881 1 5 . 1 1 20 20 ASN N N 20 117.843 117.843 118.833 -0.990 25137 2882 1 5 . 1 1 20 20 ASN HA H 20 4.545 4.545 4.535 0.010 25137 2883 1 5 . 1 1 20 20 ASN C C 20 179.590 179.590 178.130 1.460 25137 2884 1 5 . 1 1 20 20 ASN CA C 20 56.222 56.222 56.358 -0.136 25137 2885 1 5 . 1 1 20 20 ASN CB C 20 38.005 38.005 38.953 -0.948 25137 2886 1 5 . 1 1 20 20 ASN H H 20 7.839 7.839 8.245 -0.406 25137 2887 1 5 . 1 1 21 21 LEU N N 21 121.749 121.749 121.386 0.363 25137 2888 1 5 . 1 1 21 21 LEU HA H 21 4.055 4.055 3.988 0.067 25137 2889 1 5 . 1 1 21 21 LEU C C 21 177.750 177.750 178.633 -0.883 25137 2890 1 5 . 1 1 21 21 LEU CA C 21 58.268 58.268 58.491 -0.223 25137 2891 1 5 . 1 1 21 21 LEU CB C 21 42.605 42.605 42.062 0.543 25137 2892 1 5 . 1 1 21 21 LEU H H 21 8.601 8.601 8.746 -0.145 25137 2893 1 5 . 1 1 22 22 GLN N N 22 120.991 120.991 119.513 1.478 25137 2894 1 5 . 1 1 22 22 GLN HA H 22 3.935 3.935 3.986 -0.051 25137 2895 1 5 . 1 1 22 22 GLN C C 22 178.070 178.070 178.574 -0.504 25137 2896 1 5 . 1 1 22 22 GLN CA C 22 60.463 60.463 59.453 1.010 25137 2897 1 5 . 1 1 22 22 GLN CB C 22 26.902 26.902 28.551 -1.649 25137 2898 1 5 . 1 1 22 22 GLN H H 22 8.749 8.749 8.498 0.251 25137 2899 1 5 . 1 1 23 23 TYR N N 23 117.446 117.446 118.329 -0.883 25137 2900 1 5 . 1 1 23 23 TYR HA H 23 4.517 4.517 4.278 0.239 25137 2901 1 5 . 1 1 23 23 TYR C C 23 178.210 178.210 178.265 -0.055 25137 2902 1 5 . 1 1 23 23 TYR CA C 23 59.425 59.425 59.883 -0.458 25137 2903 1 5 . 1 1 23 23 TYR CB C 23 36.975 36.975 37.638 -0.663 25137 2904 1 5 . 1 1 23 23 TYR H H 23 8.450 8.450 8.431 0.019 25137 2905 1 5 . 1 1 24 24 ALA N N 24 121.627 121.627 123.538 -1.911 25137 2906 1 5 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.017 0.083 25137 2907 1 5 . 1 1 24 24 ALA C C 24 180.910 180.910 179.232 1.678 25137 2908 1 5 . 1 1 24 24 ALA CA C 24 55.060 55.060 54.962 0.098 25137 2909 1 5 . 1 1 24 24 ALA CB C 24 18.070 18.070 18.044 0.026 25137 2910 1 5 . 1 1 24 24 ALA H H 24 7.765 7.765 8.066 -0.301 25137 2911 1 5 . 1 1 25 25 PHE N N 25 115.589 115.589 117.819 -2.230 25137 2912 1 5 . 1 1 25 25 PHE HA H 25 3.940 3.940 4.120 -0.180 25137 2913 1 5 . 1 1 25 25 PHE C C 25 179.090 179.090 178.521 0.569 25137 2914 1 5 . 1 1 25 25 PHE CA C 25 63.453 63.453 62.536 0.917 25137 2915 1 5 . 1 1 25 25 PHE CB C 25 39.484 39.484 38.899 0.585 25137 2916 1 5 . 1 1 25 25 PHE H H 25 8.348 8.348 8.646 -0.298 25137 2917 1 5 . 1 1 26 26 GLU N N 26 121.198 121.198 118.947 2.251 25137 2918 1 5 . 1 1 26 26 GLU HA H 26 4.429 4.429 4.477 -0.048 25137 2919 1 5 . 1 1 26 26 GLU C C 26 181.680 181.680 179.428 2.252 25137 2920 1 5 . 1 1 26 26 GLU CA C 26 59.737 59.737 58.662 1.075 25137 2921 1 5 . 1 1 26 26 GLU CB C 26 28.925 28.925 29.491 -0.566 25137 2922 1 5 . 1 1 26 26 GLU H H 26 8.822 8.822 8.614 0.208 25137 2923 1 5 . 1 1 27 27 ASP N N 27 121.846 121.846 120.821 1.025 25137 2924 1 5 . 1 1 27 27 ASP HA H 27 4.468 4.468 4.491 -0.023 25137 2925 1 5 . 1 1 27 27 ASP C C 27 177.880 177.880 177.352 0.528 25137 2926 1 5 . 1 1 27 27 ASP CA C 27 56.996 56.996 56.624 0.372 25137 2927 1 5 . 1 1 27 27 ASP CB C 27 40.640 40.640 40.944 -0.304 25137 2928 1 5 . 1 1 27 27 ASP H H 27 8.424 8.424 8.013 0.411 25137 2929 1 5 . 1 1 28 28 GLU N N 28 115.759 115.759 116.579 -0.820 25137 2930 1 5 . 1 1 28 28 GLU HA H 28 4.331 4.331 4.381 -0.050 25137 2931 1 5 . 1 1 28 28 GLU C C 28 176.460 176.460 176.910 -0.450 25137 2932 1 5 . 1 1 28 28 GLU CA C 28 55.395 55.395 56.054 -0.659 25137 2933 1 5 . 1 1 28 28 GLU CB C 28 30.264 30.264 29.657 0.607 25137 2934 1 5 . 1 1 28 28 GLU H H 28 7.170 7.170 7.594 -0.424 25137 2935 1 5 . 1 1 29 29 GLY N N 29 106.899 106.899 107.671 -0.772 25137 2936 1 5 . 1 1 29 29 GLY C C 29 173.160 173.160 173.046 0.114 25137 2937 1 5 . 1 1 29 29 GLY CA C 29 45.589 45.589 45.365 0.223 25137 2938 1 5 . 1 1 29 29 GLY H H 29 7.889 7.889 7.873 0.016 25137 2939 1 5 . 1 1 30 30 ALA N N 30 121.007 121.007 121.477 -0.470 25137 2940 1 5 . 1 1 30 30 ALA HA H 30 4.680 4.680 5.239 -0.559 25137 2941 1 5 . 1 1 30 30 ALA C C 30 175.880 175.880 175.376 0.504 25137 2942 1 5 . 1 1 30 30 ALA CA C 30 50.666 50.666 50.350 0.316 25137 2943 1 5 . 1 1 30 30 ALA CB C 30 21.882 21.882 22.142 -0.261 25137 2944 1 5 . 1 1 30 30 ALA H H 30 7.743 7.743 7.627 0.116 25137 2945 1 5 . 1 1 31 31 GLU N N 31 120.065 120.065 119.184 0.881 25137 2946 1 5 . 1 1 31 31 GLU HA H 31 4.664 4.664 4.800 -0.136 25137 2947 1 5 . 1 1 31 31 GLU C C 31 175.430 175.430 174.485 0.945 25137 2948 1 5 . 1 1 31 31 GLU CA C 31 55.136 55.136 55.054 0.082 25137 2949 1 5 . 1 1 31 31 GLU CB C 31 32.126 32.126 32.732 -0.606 25137 2950 1 5 . 1 1 31 31 GLU H H 31 8.595 8.595 8.539 0.056 25137 2951 1 5 . 1 1 32 32 VAL N N 32 123.414 123.414 125.221 -1.807 25137 2952 1 5 . 1 1 32 32 VAL HA H 32 4.787 4.787 4.721 0.066 25137 2953 1 5 . 1 1 32 32 VAL C C 32 175.290 175.290 175.324 -0.034 25137 2954 1 5 . 1 1 32 32 VAL CA C 32 60.802 60.802 60.362 0.440 25137 2955 1 5 . 1 1 32 32 VAL CB C 32 34.991 34.991 33.726 1.265 25137 2956 1 5 . 1 1 32 32 VAL H H 32 8.872 8.872 8.483 0.389 25137 2957 1 5 . 1 1 33 33 VAL N N 33 128.158 128.158 128.120 0.038 25137 2958 1 5 . 1 1 33 33 VAL HA H 33 4.226 4.226 4.346 -0.120 25137 2959 1 5 . 1 1 33 33 VAL C C 33 173.830 173.830 174.494 -0.664 25137 2960 1 5 . 1 1 33 33 VAL CA C 33 60.990 60.990 60.551 0.439 25137 2961 1 5 . 1 1 33 33 VAL CB C 33 33.736 33.736 32.816 0.920 25137 2962 1 5 . 1 1 33 33 VAL H H 33 9.042 9.042 9.125 -0.083 25137 2963 1 5 . 1 1 34 34 VAL N N 34 126.239 126.239 127.677 -1.438 25137 2964 1 5 . 1 1 34 34 VAL HA H 34 4.751 4.751 4.467 0.284 25137 2965 1 5 . 1 1 34 34 VAL C C 34 175.100 175.100 175.016 0.084 25137 2966 1 5 . 1 1 34 34 VAL CA C 34 61.389 61.389 61.486 -0.097 25137 2967 1 5 . 1 1 34 34 VAL CB C 34 33.193 33.193 32.610 0.583 25137 2968 1 5 . 1 1 34 34 VAL H H 34 8.522 8.522 8.637 -0.115 25137 2969 1 5 . 1 1 35 35 ALA N N 35 129.955 129.955 129.255 0.700 25137 2970 1 5 . 1 1 35 35 ALA HA H 35 4.682 4.682 5.129 -0.447 25137 2971 1 5 . 1 1 35 35 ALA C C 35 174.380 174.380 175.753 -1.373 25137 2972 1 5 . 1 1 35 35 ALA CA C 35 50.154 50.154 50.057 0.097 25137 2973 1 5 . 1 1 35 35 ALA CB C 35 22.922 22.922 23.099 -0.177 25137 2974 1 5 . 1 1 35 35 ALA H H 35 9.388 9.388 9.026 0.362 25137 2975 1 5 . 1 1 36 36 ALA N N 36 121.011 121.011 124.547 -3.536 25137 2976 1 5 . 1 1 36 36 ALA HA H 36 4.632 4.632 4.563 0.069 25137 2977 1 5 . 1 1 36 36 ALA C C 36 176.490 176.490 176.651 -0.161 25137 2978 1 5 . 1 1 36 36 ALA CA C 36 51.778 51.778 52.517 -0.739 25137 2979 1 5 . 1 1 36 36 ALA CB C 36 21.506 21.506 19.900 1.606 25137 2980 1 5 . 1 1 36 36 ALA H H 36 8.539 8.539 9.132 -0.593 25137 2981 1 5 . 1 1 37 37 THR N N 37 102.880 102.880 106.154 -3.274 25137 2982 1 5 . 1 1 37 37 THR HA H 37 4.620 4.620 4.580 0.040 25137 2983 1 5 . 1 1 37 37 THR C C 37 174.710 174.710 175.834 -1.124 25137 2984 1 5 . 1 1 37 37 THR CA C 37 57.520 57.520 59.019 -1.499 25137 2985 1 5 . 1 1 37 37 THR CB C 37 72.972 72.972 71.722 1.250 25137 2986 1 5 . 1 1 37 37 THR H H 37 7.019 7.019 7.047 -0.028 25137 2987 1 5 . 1 1 38 38 CYS N N 38 120.553 120.553 119.633 0.920 25137 2988 1 5 . 1 1 38 38 CYS HA H 38 3.677 3.677 4.095 -0.418 25137 2989 1 5 . 1 1 38 38 CYS C C 38 176.020 176.020 177.006 -0.986 25137 2990 1 5 . 1 1 38 38 CYS CA C 38 63.179 63.179 62.242 0.937 25137 2991 1 5 . 1 1 38 38 CYS CB C 38 26.317 26.317 27.075 -0.758 25137 2992 1 5 . 1 1 38 38 CYS H H 38 9.398 9.398 9.003 0.395 25137 2993 1 5 . 1 1 39 39 GLU N N 39 118.521 118.521 121.502 -2.981 25137 2994 1 5 . 1 1 39 39 GLU HA H 39 3.829 3.829 3.916 -0.087 25137 2995 1 5 . 1 1 39 39 GLU C C 39 179.470 179.470 179.096 0.374 25137 2996 1 5 . 1 1 39 39 GLU CA C 39 60.594 60.594 60.055 0.539 25137 2997 1 5 . 1 1 39 39 GLU CB C 39 28.963 28.963 29.190 -0.227 25137 2998 1 5 . 1 1 39 39 GLU H H 39 8.960 8.960 8.548 0.412 25137 2999 1 5 . 1 1 40 40 GLN N N 40 118.602 118.602 118.360 0.242 25137 3000 1 5 . 1 1 40 40 GLN HA H 40 4.021 4.021 4.004 0.017 25137 3001 1 5 . 1 1 40 40 GLN C C 40 176.211 176.211 178.465 -2.254 25137 3002 1 5 . 1 1 40 40 GLN CA C 40 58.306 58.306 58.603 -0.298 25137 3003 1 5 . 1 1 40 40 GLN CB C 40 28.925 28.925 28.524 0.401 25137 3004 1 5 . 1 1 40 40 GLN H H 40 7.855 7.855 8.104 -0.249 25137 3005 1 5 . 1 1 41 41 ALA N N 41 122.395 122.395 123.106 -0.711 25137 3006 1 5 . 1 1 41 41 ALA HA H 41 3.735 3.735 4.002 -0.267 25137 3007 1 5 . 1 1 41 41 ALA C C 41 178.440 178.440 179.430 -0.990 25137 3008 1 5 . 1 1 41 41 ALA CA C 41 55.178 55.178 55.151 0.027 25137 3009 1 5 . 1 1 41 41 ALA CB C 41 19.872 19.872 18.494 1.378 25137 3010 1 5 . 1 1 41 41 ALA H H 41 8.009 8.009 7.531 0.478 25137 3011 1 5 . 1 1 42 42 LEU N N 42 116.832 116.832 118.348 -1.516 25137 3012 1 5 . 1 1 42 42 LEU HA H 42 3.875 3.875 3.864 0.011 25137 3013 1 5 . 1 1 42 42 LEU C C 42 180.080 180.080 179.071 1.009 25137 3014 1 5 . 1 1 42 42 LEU CA C 42 58.011 58.011 57.510 0.501 25137 3015 1 5 . 1 1 42 42 LEU CB C 42 40.961 40.961 41.222 -0.261 25137 3016 1 5 . 1 1 42 42 LEU H H 42 8.497 8.497 8.710 -0.213 25137 3017 1 5 . 1 1 43 43 LYS N N 43 121.087 121.087 120.134 0.953 25137 3018 1 5 . 1 1 43 43 LYS HA H 43 4.065 4.065 3.943 0.122 25137 3019 1 5 . 1 1 43 43 LYS C C 43 178.500 178.500 178.706 -0.206 25137 3020 1 5 . 1 1 43 43 LYS CA C 43 59.256 59.256 59.123 0.133 25137 3021 1 5 . 1 1 43 43 LYS CB C 43 32.295 32.295 31.928 0.366 25137 3022 1 5 . 1 1 43 43 LYS H H 43 7.593 7.593 8.380 -0.787 25137 3023 1 5 . 1 1 44 44 SER N N 44 115.150 115.150 115.484 -0.334 25137 3024 1 5 . 1 1 44 44 SER HA H 44 4.130 4.130 4.221 -0.091 25137 3025 1 5 . 1 1 44 44 SER C C 44 176.430 176.430 177.031 -0.601 25137 3026 1 5 . 1 1 44 44 SER CA C 44 62.900 62.900 61.166 1.734 25137 3027 1 5 . 1 1 44 44 SER CB C 44 62.900 62.900 62.849 0.051 25137 3028 1 5 . 1 1 44 44 SER H H 44 8.100 8.100 7.699 0.401 25137 3029 1 5 . 1 1 45 45 LEU N N 45 120.050 120.050 122.267 -2.217 25137 3030 1 5 . 1 1 45 45 LEU HA H 45 4.121 4.121 4.056 0.065 25137 3031 1 5 . 1 1 45 45 LEU C C 45 177.260 177.260 178.951 -1.691 25137 3032 1 5 . 1 1 45 45 LEU CA C 45 56.770 56.770 57.744 -0.974 25137 3033 1 5 . 1 1 45 45 LEU CB C 45 42.389 42.389 40.779 1.610 25137 3034 1 5 . 1 1 45 45 LEU H H 45 8.050 8.050 8.409 -0.359 25137 3035 1 5 . 1 1 46 46 ALA N N 46 119.940 119.940 120.578 -0.638 25137 3036 1 5 . 1 1 46 46 ALA HA H 46 4.093 4.093 4.106 -0.013 25137 3037 1 5 . 1 1 46 46 ALA C C 46 179.310 179.310 179.114 0.196 25137 3038 1 5 . 1 1 46 46 ALA CA C 46 54.126 54.126 54.462 -0.336 25137 3039 1 5 . 1 1 46 46 ALA CB C 46 18.412 18.412 18.644 -0.232 25137 3040 1 5 . 1 1 46 46 ALA H H 46 7.360 7.360 7.608 -0.248 25137 3041 1 5 . 1 1 47 47 ASP N N 47 115.277 115.277 118.494 -3.217 25137 3042 1 5 . 1 1 47 47 ASP HA H 47 4.610 4.610 4.523 0.087 25137 3043 1 5 . 1 1 47 47 ASP C C 47 175.930 175.930 176.684 -0.754 25137 3044 1 5 . 1 1 47 47 ASP CA C 47 55.087 55.087 55.409 -0.322 25137 3045 1 5 . 1 1 47 47 ASP CB C 47 42.364 42.364 41.638 0.726 25137 3046 1 5 . 1 1 47 47 ASP H H 47 7.583 7.583 8.488 -0.905 25137 3047 1 5 . 1 1 48 48 ASN N N 48 116.977 116.977 116.220 0.757 25137 3048 1 5 . 1 1 48 48 ASN HA H 48 5.219 5.219 5.145 0.074 25137 3049 1 5 . 1 1 48 48 ASN CA C 48 51.096 51.096 50.911 0.185 25137 3050 1 5 . 1 1 48 48 ASN CB C 48 42.381 42.381 40.256 2.125 25137 3051 1 5 . 1 1 48 48 ASN H H 48 7.727 7.727 8.205 -0.478 25137 3052 1 5 . 1 1 49 49 PRO HA H 49 4.551 4.551 4.607 -0.056 25137 3053 1 5 . 1 1 49 49 PRO C C 49 174.890 174.890 175.498 -0.608 25137 3054 1 5 . 1 1 49 49 PRO CA C 49 62.093 62.093 62.270 -0.177 25137 3055 1 5 . 1 1 49 49 PRO CB C 49 29.940 29.940 31.170 -1.230 25137 3056 1 5 . 1 1 50 50 ILE N N 50 122.280 122.280 124.532 -2.252 25137 3057 1 5 . 1 1 50 50 ILE HA H 50 3.908 3.908 3.919 -0.011 25137 3058 1 5 . 1 1 50 50 ILE C C 50 174.840 174.840 175.851 -1.011 25137 3059 1 5 . 1 1 50 50 ILE CA C 50 58.580 58.580 60.779 -2.200 25137 3060 1 5 . 1 1 50 50 ILE CB C 50 38.850 38.850 36.741 2.109 25137 3061 1 5 . 1 1 50 50 ILE H H 50 7.420 7.420 7.917 -0.497 25137 3062 1 5 . 1 1 51 51 ASP N N 51 123.770 123.770 127.024 -3.254 25137 3063 1 5 . 1 1 51 51 ASP HA H 51 4.749 4.749 4.743 0.006 25137 3064 1 5 . 1 1 51 51 ASP C C 51 175.114 175.114 175.655 -0.541 25137 3065 1 5 . 1 1 51 51 ASP CA C 51 56.930 56.930 56.404 0.526 25137 3066 1 5 . 1 1 51 51 ASP CB C 51 44.360 44.360 42.916 1.444 25137 3067 1 5 . 1 1 51 51 ASP H H 51 9.310 9.310 8.815 0.495 25137 3068 1 5 . 1 1 52 52 VAL N N 52 114.454 114.454 115.653 -1.199 25137 3069 1 5 . 1 1 52 52 VAL HA H 52 4.874 4.874 4.848 0.026 25137 3070 1 5 . 1 1 52 52 VAL C C 52 171.129 171.129 173.165 -2.036 25137 3071 1 5 . 1 1 52 52 VAL CA C 52 59.850 59.850 60.077 -0.227 25137 3072 1 5 . 1 1 52 52 VAL CB C 52 32.980 32.980 34.946 -1.966 25137 3073 1 5 . 1 1 52 52 VAL H H 52 7.580 7.580 7.557 0.023 25137 3074 1 5 . 1 1 53 53 ALA N N 53 124.620 124.620 126.458 -1.838 25137 3075 1 5 . 1 1 53 53 ALA HA H 53 5.665 5.665 5.230 0.435 25137 3076 1 5 . 1 1 53 53 ALA C C 53 175.100 175.100 174.525 0.575 25137 3077 1 5 . 1 1 53 53 ALA CA C 53 49.810 49.810 50.238 -0.428 25137 3078 1 5 . 1 1 53 53 ALA CB C 53 25.750 25.750 22.996 2.754 25137 3079 1 5 . 1 1 53 53 ALA H H 53 7.780 7.780 8.808 -1.028 25137 3080 1 5 . 1 1 54 54 VAL N N 54 118.950 118.950 119.430 -0.480 25137 3081 1 5 . 1 1 54 54 VAL HA H 54 4.647 4.647 4.816 -0.169 25137 3082 1 5 . 1 1 54 54 VAL C C 54 174.020 174.020 173.630 0.390 25137 3083 1 5 . 1 1 54 54 VAL CA C 54 61.580 61.580 61.433 0.147 25137 3084 1 5 . 1 1 54 54 VAL CB C 54 34.320 34.320 36.410 -2.090 25137 3085 1 5 . 1 1 54 54 VAL H H 54 8.730 8.730 8.936 -0.206 25137 3086 1 5 . 1 1 55 55 LEU N N 55 124.820 124.820 129.880 -5.060 25137 3087 1 5 . 1 1 55 55 LEU HA H 55 4.953 4.953 4.707 0.246 25137 3088 1 5 . 1 1 55 55 LEU C C 55 176.110 176.110 174.784 1.326 25137 3089 1 5 . 1 1 55 55 LEU CA C 55 53.540 53.540 54.377 -0.837 25137 3090 1 5 . 1 1 55 55 LEU CB C 55 42.690 42.690 43.476 -0.786 25137 3091 1 5 . 1 1 55 55 LEU H H 55 9.240 9.240 9.521 -0.281 25137 3092 1 5 . 1 1 56 56 ASP N N 56 124.220 124.220 126.396 -2.176 25137 3093 1 5 . 1 1 56 56 ASP HA H 56 5.629 5.629 5.182 0.447 25137 3094 1 5 . 1 1 56 56 ASP C C 56 174.460 174.460 177.132 -2.672 25137 3095 1 5 . 1 1 56 56 ASP CA C 56 52.930 52.930 54.248 -1.319 25137 3096 1 5 . 1 1 56 56 ASP CB C 56 43.400 43.400 41.063 2.337 25137 3097 1 5 . 1 1 56 56 ASP H H 56 8.360 8.360 8.663 -0.303 25137 3098 1 5 . 1 1 57 57 VAL N N 57 119.581 119.581 123.689 -4.108 25137 3099 1 5 . 1 1 57 57 VAL HA H 57 4.239 4.239 3.674 0.565 25137 3100 1 5 . 1 1 57 57 VAL C C 57 175.480 175.480 175.752 -0.272 25137 3101 1 5 . 1 1 57 57 VAL CA C 57 64.564 64.564 65.193 -0.629 25137 3102 1 5 . 1 1 57 57 VAL CB C 57 32.520 32.520 31.895 0.625 25137 3103 1 5 . 1 1 57 57 VAL H H 57 7.022 7.022 7.666 -0.644 25137 3104 1 5 . 1 1 58 58 ASN N N 58 114.490 114.490 116.636 -2.146 25137 3105 1 5 . 1 1 58 58 ASN HA H 58 4.693 4.693 4.706 -0.013 25137 3106 1 5 . 1 1 58 58 ASN C C 58 173.400 173.400 175.555 -2.155 25137 3107 1 5 . 1 1 58 58 ASN CA C 58 53.570 53.570 52.246 1.324 25137 3108 1 5 . 1 1 58 58 ASN CB C 58 38.820 38.820 38.212 0.608 25137 3109 1 5 . 1 1 58 58 ASN H H 58 8.600 8.600 7.638 0.962 25137 3110 1 5 . 1 1 59 59 LEU N N 59 130.670 130.670 121.372 9.298 25137 3111 1 5 . 1 1 59 59 LEU HA H 59 4.647 4.647 4.267 0.380 25137 3112 1 5 . 1 1 59 59 LEU C C 59 175.340 175.340 176.964 -1.624 25137 3113 1 5 . 1 1 59 59 LEU CA C 59 53.550 53.550 55.454 -1.904 25137 3114 1 5 . 1 1 59 59 LEU CB C 59 41.430 41.430 42.116 -0.686 25137 3115 1 5 . 1 1 59 59 LEU H H 59 8.260 8.260 7.781 0.479 25137 3116 1 5 . 1 1 60 60 GLY N N 60 109.030 109.030 105.116 3.914 25137 3117 1 5 . 1 1 60 60 GLY CA C 60 44.610 44.610 45.102 -0.492 25137 3118 1 5 . 1 1 60 60 GLY H H 60 7.860 7.860 7.384 0.476 25137 3119 1 5 . 1 1 61 61 PRO HA H 61 4.385 4.385 4.357 0.028 25137 3120 1 5 . 1 1 61 61 PRO C C 61 177.960 177.960 177.490 0.470 25137 3121 1 5 . 1 1 61 61 PRO CA C 61 64.888 64.888 64.980 -0.092 25137 3122 1 5 . 1 1 61 61 PRO CB C 61 32.070 32.070 32.303 -0.233 25137 3123 1 5 . 1 1 62 62 LYS N N 62 115.984 115.984 113.863 2.121 25137 3124 1 5 . 1 1 62 62 LYS HA H 62 4.524 4.524 4.562 -0.038 25137 3125 1 5 . 1 1 62 62 LYS C C 62 175.810 175.810 175.937 -0.127 25137 3126 1 5 . 1 1 62 62 LYS CA C 62 55.444 55.444 56.052 -0.608 25137 3127 1 5 . 1 1 62 62 LYS CB C 62 33.216 33.216 33.390 -0.174 25137 3128 1 5 . 1 1 62 62 LYS H H 62 8.625 8.625 7.905 0.720 25137 3129 1 5 . 1 1 63 63 SER N N 63 113.432 113.432 117.643 -4.211 25137 3130 1 5 . 1 1 63 63 SER HA H 63 4.609 4.609 4.214 0.395 25137 3131 1 5 . 1 1 63 63 SER C C 63 172.560 172.560 173.080 -0.520 25137 3132 1 5 . 1 1 63 63 SER CA C 63 57.715 57.715 59.545 -1.830 25137 3133 1 5 . 1 1 63 63 SER CB C 63 64.866 64.866 63.382 1.484 25137 3134 1 5 . 1 1 63 63 SER H H 63 7.389 7.389 7.837 -0.448 25137 3135 1 5 . 1 1 64 64 HIS N N 64 122.580 122.580 118.316 4.264 25137 3136 1 5 . 1 1 64 64 HIS HA H 64 5.833 5.833 5.109 0.724 25137 3137 1 5 . 1 1 64 64 HIS C C 64 176.210 176.210 175.034 1.176 25137 3138 1 5 . 1 1 64 64 HIS CA C 64 54.006 54.006 54.066 -0.060 25137 3139 1 5 . 1 1 64 64 HIS CB C 64 34.092 34.092 32.879 1.213 25137 3140 1 5 . 1 1 64 64 HIS H H 64 7.762 7.762 7.636 0.126 25137 3141 1 5 . 1 1 65 65 CYS N N 65 111.478 111.478 121.490 -10.012 25137 3142 1 5 . 1 1 65 65 CYS HA H 65 4.342 4.342 4.465 -0.123 25137 3143 1 5 . 1 1 65 65 CYS C C 65 175.881 175.881 175.597 0.284 25137 3144 1 5 . 1 1 65 65 CYS CA C 65 57.980 57.980 59.684 -1.704 25137 3145 1 5 . 1 1 65 65 CYS CB C 65 29.790 29.790 25.526 4.264 25137 3146 1 5 . 1 1 65 65 CYS H H 65 7.946 7.946 8.826 -0.880 25137 3147 1 5 . 1 1 66 66 GLY N N 66 120.340 120.340 112.949 7.391 25137 3148 1 5 . 1 1 66 66 GLY CA C 66 48.880 48.880 46.378 2.502 25137 3149 1 5 . 1 1 66 66 GLY H H 66 11.290 11.290 8.327 2.963 25137 3150 1 5 . 1 1 67 67 PRO HA H 67 4.386 4.386 4.280 0.106 25137 3151 1 5 . 1 1 67 67 PRO C C 67 179.860 179.860 178.492 1.368 25137 3152 1 5 . 1 1 67 67 PRO CA C 67 65.388 65.388 65.241 0.147 25137 3153 1 5 . 1 1 67 67 PRO CB C 67 32.970 32.970 31.295 1.675 25137 3154 1 5 . 1 1 68 68 VAL N N 68 116.564 116.564 117.117 -0.553 25137 3155 1 5 . 1 1 68 68 VAL HA H 68 3.494 3.494 3.570 -0.076 25137 3156 1 5 . 1 1 68 68 VAL C C 68 176.350 176.350 177.574 -1.224 25137 3157 1 5 . 1 1 68 68 VAL CA C 68 64.839 64.839 66.545 -1.706 25137 3158 1 5 . 1 1 68 68 VAL CB C 68 31.396 31.396 31.133 0.263 25137 3159 1 5 . 1 1 68 68 VAL H H 68 7.471 7.471 8.047 -0.576 25137 3160 1 5 . 1 1 69 69 ALA N N 69 122.825 122.825 122.527 0.298 25137 3161 1 5 . 1 1 69 69 ALA HA H 69 3.085 3.085 3.396 -0.311 25137 3162 1 5 . 1 1 69 69 ALA C C 69 179.280 179.280 179.082 0.198 25137 3163 1 5 . 1 1 69 69 ALA CA C 69 55.209 55.209 55.281 -0.072 25137 3164 1 5 . 1 1 69 69 ALA CB C 69 18.141 18.141 18.058 0.083 25137 3165 1 5 . 1 1 69 69 ALA H H 69 7.880 7.880 7.509 0.371 25137 3166 1 5 . 1 1 70 70 ASP N N 70 116.269 116.269 118.652 -2.383 25137 3167 1 5 . 1 1 70 70 ASP HA H 70 4.314 4.314 4.296 0.018 25137 3168 1 5 . 1 1 70 70 ASP C C 70 178.300 178.300 178.092 0.208 25137 3169 1 5 . 1 1 70 70 ASP CA C 70 57.530 57.530 57.655 -0.125 25137 3170 1 5 . 1 1 70 70 ASP CB C 70 40.582 40.582 40.801 -0.219 25137 3171 1 5 . 1 1 70 70 ASP H H 70 8.316 8.316 8.006 0.310 25137 3172 1 5 . 1 1 71 71 ALA N N 71 122.771 122.771 122.211 0.560 25137 3173 1 5 . 1 1 71 71 ALA HA H 71 4.045 4.045 4.080 -0.035 25137 3174 1 5 . 1 1 71 71 ALA C C 71 180.700 180.700 179.881 0.819 25137 3175 1 5 . 1 1 71 71 ALA CA C 71 55.062 55.062 54.967 0.095 25137 3176 1 5 . 1 1 71 71 ALA CB C 71 18.675 18.675 18.378 0.297 25137 3177 1 5 . 1 1 71 71 ALA H H 71 7.156 7.156 7.677 -0.521 25137 3178 1 5 . 1 1 72 72 LEU N N 72 119.021 119.021 118.265 0.756 25137 3179 1 5 . 1 1 72 72 LEU HA H 72 3.824 3.824 3.858 -0.034 25137 3180 1 5 . 1 1 72 72 LEU C C 72 179.560 179.560 179.357 0.203 25137 3181 1 5 . 1 1 72 72 LEU CA C 72 58.351 58.351 57.453 0.898 25137 3182 1 5 . 1 1 72 72 LEU CB C 72 40.437 40.437 41.181 -0.744 25137 3183 1 5 . 1 1 72 72 LEU H H 72 8.250 8.250 8.043 0.207 25137 3184 1 5 . 1 1 73 73 LYS N N 73 120.087 120.087 119.109 0.978 25137 3185 1 5 . 1 1 73 73 LYS HA H 73 4.431 4.431 4.155 0.276 25137 3186 1 5 . 1 1 73 73 LYS C C 73 181.310 181.310 179.971 1.339 25137 3187 1 5 . 1 1 73 73 LYS CA C 73 59.307 59.307 59.183 0.124 25137 3188 1 5 . 1 1 73 73 LYS CB C 73 32.404 32.404 31.739 0.664 25137 3189 1 5 . 1 1 73 73 LYS H H 73 8.383 8.383 8.547 -0.164 25137 3190 1 5 . 1 1 74 74 GLN N N 74 118.982 118.982 118.992 -0.010 25137 3191 1 5 . 1 1 74 74 GLN HA H 74 4.074 4.074 4.144 -0.070 25137 3192 1 5 . 1 1 74 74 GLN C C 74 177.620 177.620 177.525 0.095 25137 3193 1 5 . 1 1 74 74 GLN CA C 74 58.834 58.834 58.516 0.318 25137 3194 1 5 . 1 1 74 74 GLN CB C 74 28.505 28.505 28.470 0.035 25137 3195 1 5 . 1 1 74 74 GLN H H 74 8.015 8.015 8.418 -0.403 25137 3196 1 5 . 1 1 75 75 ARG N N 75 116.770 116.770 117.572 -0.802 25137 3197 1 5 . 1 1 75 75 ARG HA H 75 4.272 4.272 4.422 -0.150 25137 3198 1 5 . 1 1 75 75 ARG C C 75 174.310 174.310 174.977 -0.667 25137 3199 1 5 . 1 1 75 75 ARG CA C 75 55.950 55.950 55.230 0.720 25137 3200 1 5 . 1 1 75 75 ARG CB C 75 31.780 31.780 30.319 1.461 25137 3201 1 5 . 1 1 75 75 ARG H H 75 7.240 7.240 7.477 -0.237 25137 3202 1 5 . 1 1 76 76 ALA N N 76 122.020 122.020 120.742 1.278 25137 3203 1 5 . 1 1 76 76 ALA HA H 76 4.050 4.050 4.054 -0.004 25137 3204 1 5 . 1 1 76 76 ALA C C 76 176.240 176.240 176.939 -0.699 25137 3205 1 5 . 1 1 76 76 ALA CA C 76 53.170 53.170 52.707 0.463 25137 3206 1 5 . 1 1 76 76 ALA CB C 76 16.650 16.650 17.120 -0.470 25137 3207 1 5 . 1 1 76 76 ALA H H 76 8.065 8.065 7.443 0.622 25137 3208 1 5 . 1 1 77 77 ILE N N 77 122.300 122.300 119.982 2.318 25137 3209 1 5 . 1 1 77 77 ILE HA H 77 4.502 4.502 4.296 0.206 25137 3210 1 5 . 1 1 77 77 ILE CA C 77 58.610 58.610 59.002 -0.392 25137 3211 1 5 . 1 1 77 77 ILE CB C 77 40.000 40.000 38.452 1.548 25137 3212 1 5 . 1 1 77 77 ILE H H 77 8.080 8.080 8.129 -0.049 25137 3213 1 5 . 1 1 78 78 PRO HA H 78 4.454 4.454 4.572 -0.118 25137 3214 1 5 . 1 1 78 78 PRO C C 78 174.680 174.680 175.521 -0.841 25137 3215 1 5 . 1 1 78 78 PRO CA C 78 62.622 62.622 62.863 -0.241 25137 3216 1 5 . 1 1 78 78 PRO CB C 78 32.772 32.772 32.163 0.609 25137 3217 1 5 . 1 1 79 79 PHE N N 79 109.800 109.800 116.394 -6.594 25137 3218 1 5 . 1 1 79 79 PHE HA H 79 5.656 5.656 5.555 0.101 25137 3219 1 5 . 1 1 79 79 PHE C C 79 172.780 172.780 173.563 -0.783 25137 3220 1 5 . 1 1 79 79 PHE CA C 79 55.612 55.612 55.810 -0.198 25137 3221 1 5 . 1 1 79 79 PHE CB C 79 42.181 42.181 42.149 0.032 25137 3222 1 5 . 1 1 79 79 PHE H H 79 7.463 7.463 8.003 -0.540 25137 3223 1 5 . 1 1 80 80 ILE N N 80 114.746 114.746 120.383 -5.637 25137 3224 1 5 . 1 1 80 80 ILE HA H 80 4.545 4.545 4.535 0.010 25137 3225 1 5 . 1 1 80 80 ILE C C 80 174.750 174.750 175.162 -0.412 25137 3226 1 5 . 1 1 80 80 ILE CA C 80 58.914 58.914 59.795 -0.881 25137 3227 1 5 . 1 1 80 80 ILE CB C 80 43.079 43.079 41.860 1.219 25137 3228 1 5 . 1 1 80 80 ILE H H 80 8.024 8.024 8.260 -0.236 25137 3229 1 5 . 1 1 81 81 LEU N N 81 124.450 124.450 127.045 -2.595 25137 3230 1 5 . 1 1 81 81 LEU HA H 81 5.470 5.470 5.081 0.389 25137 3231 1 5 . 1 1 81 81 LEU C C 81 175.620 175.620 176.027 -0.407 25137 3232 1 5 . 1 1 81 81 LEU CA C 81 53.345 53.345 53.215 0.130 25137 3233 1 5 . 1 1 81 81 LEU CB C 81 43.304 43.304 39.985 3.319 25137 3234 1 5 . 1 1 81 81 LEU H H 81 8.935 8.935 9.081 -0.146 25137 3235 1 5 . 1 1 82 82 HIS N N 82 126.167 126.167 126.613 -0.446 25137 3236 1 5 . 1 1 82 82 HIS HA H 82 5.880 5.880 5.580 0.300 25137 3237 1 5 . 1 1 82 82 HIS C C 82 172.730 172.730 174.464 -1.734 25137 3238 1 5 . 1 1 82 82 HIS CA C 82 52.947 52.947 54.019 -1.072 25137 3239 1 5 . 1 1 82 82 HIS CB C 82 31.171 31.171 31.609 -0.438 25137 3240 1 5 . 1 1 82 82 HIS H H 82 8.828 8.828 9.102 -0.274 25137 3241 1 5 . 1 1 83 83 THR N N 83 114.001 114.001 120.392 -6.391 25137 3242 1 5 . 1 1 83 83 THR HA H 83 5.305 5.305 4.508 0.797 25137 3243 1 5 . 1 1 83 83 THR C C 83 172.800 172.800 172.599 0.201 25137 3244 1 5 . 1 1 83 83 THR CA C 83 58.807 58.807 61.753 -2.946 25137 3245 1 5 . 1 1 83 83 THR CB C 83 69.366 69.366 70.817 -1.452 25137 3246 1 5 . 1 1 83 83 THR H H 83 7.252 7.252 8.801 -1.549 25137 3247 1 5 . 1 1 84 84 GLY N N 84 115.666 115.666 110.678 4.988 25137 3248 1 5 . 1 1 84 84 GLY C C 84 173.764 173.764 174.681 -0.917 25137 3249 1 5 . 1 1 84 84 GLY CA C 84 45.284 45.284 45.081 0.203 25137 3250 1 5 . 1 1 84 84 GLY H H 84 8.483 8.483 8.919 -0.436 25137 3251 1 5 . 1 1 85 85 ASP N N 85 123.490 123.490 122.928 0.562 25137 3252 1 5 . 1 1 85 85 ASP HA H 85 4.982 4.982 4.957 0.025 25137 3253 1 5 . 1 1 85 85 ASP C C 85 175.829 175.829 175.066 0.763 25137 3254 1 5 . 1 1 85 85 ASP CA C 85 53.420 53.420 53.513 -0.093 25137 3255 1 5 . 1 1 85 85 ASP CB C 85 41.560 41.560 39.776 1.784 25137 3256 1 5 . 1 1 85 85 ASP H H 85 8.510 8.510 7.935 0.575 25137 3257 1 5 . 1 1 86 86 LEU N N 86 122.010 122.010 121.013 0.997 25137 3258 1 5 . 1 1 86 86 LEU HA H 86 3.997 3.997 4.112 -0.115 25137 3259 1 5 . 1 1 86 86 LEU C C 86 178.242 178.242 178.276 -0.034 25137 3260 1 5 . 1 1 86 86 LEU CA C 86 57.410 57.410 58.219 -0.809 25137 3261 1 5 . 1 1 86 86 LEU CB C 86 42.000 42.000 42.096 -0.096 25137 3262 1 5 . 1 1 86 86 LEU H H 86 8.210 8.210 7.685 0.525 25137 3263 1 5 . 1 1 87 87 ASP N N 87 117.260 117.260 118.825 -1.565 25137 3264 1 5 . 1 1 87 87 ASP HA H 87 4.535 4.535 4.369 0.166 25137 3265 1 5 . 1 1 87 87 ASP C C 87 178.351 178.351 178.373 -0.022 25137 3266 1 5 . 1 1 87 87 ASP CA C 87 56.010 56.010 57.471 -1.461 25137 3267 1 5 . 1 1 87 87 ASP CB C 87 41.400 41.400 40.296 1.104 25137 3268 1 5 . 1 1 87 87 ASP H H 87 8.290 8.290 8.765 -0.475 25137 3269 1 5 . 1 1 88 88 ARG N N 88 120.750 120.750 117.344 3.406 25137 3270 1 5 . 1 1 88 88 ARG HA H 88 4.015 4.015 4.122 -0.107 25137 3271 1 5 . 1 1 88 88 ARG C C 88 177.300 177.300 176.258 1.042 25137 3272 1 5 . 1 1 88 88 ARG CA C 88 58.340 58.340 57.009 1.331 25137 3273 1 5 . 1 1 88 88 ARG CB C 88 30.460 30.460 29.667 0.793 25137 3274 1 5 . 1 1 88 88 ARG H H 88 8.040 8.040 8.473 -0.433 25137 3275 1 5 . 1 1 89 89 HIS N N 89 115.580 115.580 116.028 -0.448 25137 3276 1 5 . 1 1 89 89 HIS HA H 89 5.026 5.026 4.882 0.144 25137 3277 1 5 . 1 1 89 89 HIS C C 89 175.670 175.670 175.304 0.366 25137 3278 1 5 . 1 1 89 89 HIS CA C 89 55.300 55.300 55.350 -0.050 25137 3279 1 5 . 1 1 89 89 HIS CB C 89 29.890 29.890 30.674 -0.784 25137 3280 1 5 . 1 1 89 89 HIS H H 89 7.900 7.900 7.640 0.260 25137 3281 1 5 . 1 1 90 90 GLY N N 90 108.320 108.320 108.715 -0.395 25137 3282 1 5 . 1 1 90 90 GLY C C 90 175.880 175.880 175.367 0.513 25137 3283 1 5 . 1 1 90 90 GLY CA C 90 48.310 48.310 47.056 1.254 25137 3284 1 5 . 1 1 90 90 GLY H H 90 7.790 7.790 7.688 0.102 25137 3285 1 5 . 1 1 91 91 GLU N N 91 120.490 120.490 120.273 0.217 25137 3286 1 5 . 1 1 91 91 GLU HA H 91 4.043 4.043 4.171 -0.128 25137 3287 1 5 . 1 1 91 91 GLU C C 91 178.410 178.410 178.232 0.178 25137 3288 1 5 . 1 1 91 91 GLU CA C 91 59.200 59.200 58.979 0.221 25137 3289 1 5 . 1 1 91 91 GLU CB C 91 29.240 29.240 28.659 0.581 25137 3290 1 5 . 1 1 91 91 GLU H H 91 8.580 8.580 8.388 0.192 25137 3291 1 5 . 1 1 92 92 LEU N N 92 121.740 121.740 121.039 0.701 25137 3292 1 5 . 1 1 92 92 LEU HA H 92 4.048 4.048 4.154 -0.106 25137 3293 1 5 . 1 1 92 92 LEU C C 92 178.630 178.630 178.358 0.272 25137 3294 1 5 . 1 1 92 92 LEU CA C 92 57.690 57.690 57.423 0.267 25137 3295 1 5 . 1 1 92 92 LEU CB C 92 41.820 41.820 41.927 -0.107 25137 3296 1 5 . 1 1 92 92 LEU H H 92 7.690 7.690 7.597 0.093 25137 3297 1 5 . 1 1 93 93 LEU N N 93 117.310 117.310 118.967 -1.657 25137 3298 1 5 . 1 1 93 93 LEU HA H 93 3.881 3.881 3.807 0.074 25137 3299 1 5 . 1 1 93 93 LEU C C 93 174.967 174.967 178.805 -3.838 25137 3300 1 5 . 1 1 93 93 LEU CA C 93 57.940 57.940 58.297 -0.357 25137 3301 1 5 . 1 1 93 93 LEU CB C 93 40.640 40.640 41.279 -0.639 25137 3302 1 5 . 1 1 93 93 LEU H H 93 8.160 8.160 8.683 -0.523 25137 3303 1 5 . 1 1 94 94 ARG N N 94 117.940 117.940 117.673 0.267 25137 3304 1 5 . 1 1 94 94 ARG HA H 94 4.120 4.120 4.137 -0.017 25137 3305 1 5 . 1 1 94 94 ARG C C 94 177.870 177.870 177.827 0.043 25137 3306 1 5 . 1 1 94 94 ARG CA C 94 58.450 58.450 58.638 -0.188 25137 3307 1 5 . 1 1 94 94 ARG CB C 94 30.370 30.370 29.699 0.671 25137 3308 1 5 . 1 1 94 94 ARG H H 94 7.770 7.770 8.237 -0.467 25137 3309 1 5 . 1 1 95 95 LYS N N 95 118.380 118.380 117.596 0.784 25137 3310 1 5 . 1 1 95 95 LYS HA H 95 4.160 4.160 4.156 0.004 25137 3311 1 5 . 1 1 95 95 LYS C C 95 177.730 177.730 177.538 0.192 25137 3312 1 5 . 1 1 95 95 LYS CA C 95 57.600 57.600 58.465 -0.865 25137 3313 1 5 . 1 1 95 95 LYS CB C 95 32.770 32.770 32.789 -0.019 25137 3314 1 5 . 1 1 95 95 LYS H H 95 7.640 7.640 7.615 0.025 25137 3315 1 5 . 1 1 96 96 ILE N N 96 120.160 120.160 117.062 3.098 25137 3316 1 5 . 1 1 96 96 ILE HA H 96 3.781 3.781 4.023 -0.242 25137 3317 1 5 . 1 1 96 96 ILE C C 96 175.840 175.840 175.539 0.301 25137 3318 1 5 . 1 1 96 96 ILE CA C 96 63.720 63.720 63.093 0.627 25137 3319 1 5 . 1 1 96 96 ILE CB C 96 38.670 38.670 39.005 -0.335 25137 3320 1 5 . 1 1 96 96 ILE H H 96 7.980 7.980 7.231 0.749 25137 3321 1 5 . 1 1 97 97 ASP N N 97 120.510 120.510 119.788 0.722 25137 3322 1 5 . 1 1 97 97 ASP HA H 97 4.380 4.380 4.230 0.150 25137 3323 1 5 . 1 1 97 97 ASP C C 97 173.580 173.580 173.956 -0.376 25137 3324 1 5 . 1 1 97 97 ASP CA C 97 54.300 54.300 55.318 -1.018 25137 3325 1 5 . 1 1 97 97 ASP CB C 97 39.490 39.490 40.070 -0.580 25137 3326 1 5 . 1 1 97 97 ASP H H 97 8.160 8.160 8.385 -0.225 25137 3327 1 5 . 1 1 98 98 ALA N N 98 123.800 123.800 123.881 -0.081 25137 3328 1 5 . 1 1 98 98 ALA HA H 98 4.550 4.550 4.670 -0.120 25137 3329 1 5 . 1 1 98 98 ALA CA C 98 49.860 49.860 50.524 -0.664 25137 3330 1 5 . 1 1 98 98 ALA CB C 98 21.070 21.070 20.591 0.478 25137 3331 1 5 . 1 1 98 98 ALA H H 98 7.680 7.680 7.940 -0.260 25137 3332 1 5 . 1 1 99 99 PRO HA H 99 4.370 4.370 4.452 -0.082 25137 3333 1 5 . 1 1 99 99 PRO C C 99 174.760 174.760 175.457 -0.697 25137 3334 1 5 . 1 1 99 99 PRO CA C 99 62.950 62.950 63.396 -0.446 25137 3335 1 5 . 1 1 99 99 PRO CB C 99 32.310 32.310 31.962 0.348 25137 3336 1 5 . 1 1 100 100 VAL N N 100 120.490 120.490 122.956 -2.466 25137 3337 1 5 . 1 1 100 100 VAL HA H 100 4.832 4.832 4.784 0.048 25137 3338 1 5 . 1 1 100 100 VAL C C 100 176.650 176.650 175.503 1.147 25137 3339 1 5 . 1 1 100 100 VAL CA C 100 60.450 60.450 61.466 -1.016 25137 3340 1 5 . 1 1 100 100 VAL CB C 100 34.830 34.830 33.714 1.116 25137 3341 1 5 . 1 1 100 100 VAL H H 100 8.270 8.270 8.318 -0.048 25137 3342 1 5 . 1 1 101 101 MET N N 101 127.420 127.420 127.516 -0.096 25137 3343 1 5 . 1 1 101 101 MET HA H 101 4.705 4.705 4.738 -0.033 25137 3344 1 5 . 1 1 101 101 MET C C 101 174.490 174.490 175.043 -0.553 25137 3345 1 5 . 1 1 101 101 MET CA C 101 54.730 54.730 54.362 0.368 25137 3346 1 5 . 1 1 101 101 MET CB C 101 34.560 34.560 34.306 0.254 25137 3347 1 5 . 1 1 101 101 MET H H 101 9.240 9.240 9.034 0.206 25137 3348 1 5 . 1 1 102 102 ALA N N 102 128.590 128.590 127.959 0.631 25137 3349 1 5 . 1 1 102 102 ALA HA H 102 4.608 4.608 5.349 -0.741 25137 3350 1 5 . 1 1 102 102 ALA C C 102 177.935 177.935 177.572 0.363 25137 3351 1 5 . 1 1 102 102 ALA CA C 102 51.930 51.930 51.072 0.858 25137 3352 1 5 . 1 1 102 102 ALA CB C 102 19.040 19.040 20.013 -0.973 25137 3353 1 5 . 1 1 102 102 ALA H H 102 8.760 8.760 8.583 0.177 25137 3354 1 5 . 1 1 103 103 LYS N N 103 120.200 120.200 123.115 -2.915 25137 3355 1 5 . 1 1 103 103 LYS HA H 103 4.284 4.284 4.854 -0.570 25137 3356 1 5 . 1 1 103 103 LYS CA C 103 54.370 54.370 54.502 -0.132 25137 3357 1 5 . 1 1 103 103 LYS CB C 103 34.190 34.190 32.229 1.961 25137 3358 1 5 . 1 1 103 103 LYS H H 103 7.300 7.300 7.938 -0.638 25137 3359 1 5 . 1 1 104 104 PRO HA H 104 4.611 4.611 4.493 0.118 25137 3360 1 5 . 1 1 104 104 PRO C C 104 174.980 174.980 175.417 -0.437 25137 3361 1 5 . 1 1 104 104 PRO CA C 104 62.626 62.626 62.878 -0.252 25137 3362 1 5 . 1 1 104 104 PRO CB C 104 33.867 33.867 32.261 1.606 25137 3363 1 5 . 1 1 105 105 ALA N N 105 125.082 125.082 124.173 0.909 25137 3364 1 5 . 1 1 105 105 ALA HA H 105 4.576 4.576 4.454 0.122 25137 3365 1 5 . 1 1 105 105 ALA C C 105 176.890 176.890 176.025 0.865 25137 3366 1 5 . 1 1 105 105 ALA CA C 105 51.177 51.177 51.364 -0.187 25137 3367 1 5 . 1 1 105 105 ALA CB C 105 21.735 21.735 21.362 0.373 25137 3368 1 5 . 1 1 105 105 ALA H H 105 8.668 8.668 8.147 0.521 25137 3369 1 5 . 1 1 106 106 ASP N N 106 122.306 122.306 123.167 -0.861 25137 3370 1 5 . 1 1 106 106 ASP HA H 106 4.636 4.636 4.578 0.058 25137 3371 1 5 . 1 1 106 106 ASP C C 106 178.383 178.383 177.732 0.651 25137 3372 1 5 . 1 1 106 106 ASP CA C 106 54.312 54.312 54.197 0.115 25137 3373 1 5 . 1 1 106 106 ASP CB C 106 41.260 41.260 42.526 -1.266 25137 3374 1 5 . 1 1 106 106 ASP H H 106 8.867 8.867 8.415 0.452 25137 3375 1 5 . 1 1 107 107 THR N N 107 119.540 119.540 117.492 2.048 25137 3376 1 5 . 1 1 107 107 THR HA H 107 3.573 3.573 3.959 -0.386 25137 3377 1 5 . 1 1 107 107 THR C C 107 176.393 176.393 176.242 0.151 25137 3378 1 5 . 1 1 107 107 THR CA C 107 65.940 65.940 64.489 1.451 25137 3379 1 5 . 1 1 107 107 THR CB C 107 68.191 68.191 68.814 -0.623 25137 3380 1 5 . 1 1 107 107 THR H H 107 8.658 8.658 8.506 0.152 25137 3381 1 5 . 1 1 108 108 SER N N 108 117.095 117.095 116.992 0.103 25137 3382 1 5 . 1 1 108 108 SER HA H 108 4.140 4.140 4.045 0.095 25137 3383 1 5 . 1 1 108 108 SER C C 108 176.143 176.143 176.064 0.079 25137 3384 1 5 . 1 1 108 108 SER CA C 108 61.650 61.650 62.264 -0.614 25137 3385 1 5 . 1 1 108 108 SER CB C 108 62.450 62.450 62.427 0.023 25137 3386 1 5 . 1 1 108 108 SER H H 108 8.480 8.480 8.764 -0.284 25137 3387 1 5 . 1 1 109 109 ASP N N 109 122.520 122.520 123.656 -1.136 25137 3388 1 5 . 1 1 109 109 ASP HA H 109 4.400 4.400 4.418 -0.018 25137 3389 1 5 . 1 1 109 109 ASP C C 109 178.499 178.499 178.671 -0.172 25137 3390 1 5 . 1 1 109 109 ASP CA C 109 56.990 56.990 57.432 -0.442 25137 3391 1 5 . 1 1 109 109 ASP CB C 109 40.560 40.560 40.767 -0.207 25137 3392 1 5 . 1 1 109 109 ASP H H 109 7.350 7.350 7.697 -0.347 25137 3393 1 5 . 1 1 110 110 VAL N N 110 120.210 120.210 120.599 -0.389 25137 3394 1 5 . 1 1 110 110 VAL HA H 110 3.262 3.262 3.650 -0.388 25137 3395 1 5 . 1 1 110 110 VAL C C 110 176.535 176.535 178.284 -1.749 25137 3396 1 5 . 1 1 110 110 VAL CA C 110 66.090 66.090 65.704 0.386 25137 3397 1 5 . 1 1 110 110 VAL CB C 110 31.400 31.400 31.487 -0.087 25137 3398 1 5 . 1 1 110 110 VAL H H 110 7.440 7.440 7.810 -0.370 25137 3399 1 5 . 1 1 111 111 ALA N N 111 118.790 118.790 121.523 -2.733 25137 3400 1 5 . 1 1 111 111 ALA HA H 111 3.264 3.264 2.796 0.468 25137 3401 1 5 . 1 1 111 111 ALA C C 111 179.030 179.030 179.140 -0.110 25137 3402 1 5 . 1 1 111 111 ALA CA C 111 54.590 54.590 54.801 -0.211 25137 3403 1 5 . 1 1 111 111 ALA CB C 111 16.480 16.480 17.457 -0.977 25137 3404 1 5 . 1 1 111 111 ALA H H 111 7.610 7.610 7.847 -0.237 25137 3405 1 5 . 1 1 112 112 LYS N N 112 115.540 115.540 118.185 -2.645 25137 3406 1 5 . 1 1 112 112 LYS HA H 112 3.750 3.750 3.946 -0.196 25137 3407 1 5 . 1 1 112 112 LYS C C 112 179.470 179.470 179.300 0.170 25137 3408 1 5 . 1 1 112 112 LYS CA C 112 60.020 60.020 59.520 0.500 25137 3409 1 5 . 1 1 112 112 LYS CB C 112 32.680 32.680 32.286 0.394 25137 3410 1 5 . 1 1 112 112 LYS H H 112 7.840 7.840 8.000 -0.160 25137 3411 1 5 . 1 1 113 113 ARG N N 113 118.590 118.590 117.379 1.211 25137 3412 1 5 . 1 1 113 113 ARG HA H 113 4.021 4.021 4.382 -0.361 25137 3413 1 5 . 1 1 113 113 ARG C C 113 179.120 179.120 178.452 0.668 25137 3414 1 5 . 1 1 113 113 ARG CA C 113 58.180 58.180 57.764 0.416 25137 3415 1 5 . 1 1 113 113 ARG CB C 113 29.530 29.530 29.698 -0.168 25137 3416 1 5 . 1 1 113 113 ARG H H 113 7.860 7.860 8.157 -0.297 25137 3417 1 5 . 1 1 114 114 ALA N N 114 120.520 120.520 122.058 -1.538 25137 3418 1 5 . 1 1 114 114 ALA HA H 114 4.046 4.046 4.295 -0.249 25137 3419 1 5 . 1 1 114 114 ALA C C 114 179.280 179.280 179.940 -0.660 25137 3420 1 5 . 1 1 114 114 ALA CA C 114 55.070 55.070 54.606 0.464 25137 3421 1 5 . 1 1 114 114 ALA CB C 114 17.920 17.920 19.164 -1.244 25137 3422 1 5 . 1 1 114 114 ALA H H 114 8.190 8.190 7.580 0.610 25137 3423 1 5 . 1 1 115 115 LEU N N 115 115.820 115.820 119.577 -3.757 25137 3424 1 5 . 1 1 115 115 LEU HA H 115 4.225 4.225 4.200 0.025 25137 3425 1 5 . 1 1 115 115 LEU C C 115 180.490 180.490 179.553 0.937 25137 3426 1 5 . 1 1 115 115 LEU CA C 115 57.600 57.600 57.239 0.361 25137 3427 1 5 . 1 1 115 115 LEU CB C 115 40.590 40.590 41.912 -1.322 25137 3428 1 5 . 1 1 115 115 LEU H H 115 8.320 8.320 8.653 -0.333 25137 3429 1 5 . 1 1 116 116 GLU N N 116 119.789 119.789 119.336 0.453 25137 3430 1 5 . 1 1 116 116 GLU HA H 116 4.109 4.109 4.034 0.075 25137 3431 1 5 . 1 1 116 116 GLU C C 116 178.790 178.790 178.225 0.565 25137 3432 1 5 . 1 1 116 116 GLU CA C 116 58.625 58.625 58.856 -0.231 25137 3433 1 5 . 1 1 116 116 GLU CB C 116 29.548 29.548 28.923 0.625 25137 3434 1 5 . 1 1 116 116 GLU H H 116 7.904 7.904 8.165 -0.261 25137 3435 1 5 . 1 1 117 117 MET N N 117 116.426 116.426 117.612 -1.186 25137 3436 1 5 . 1 1 117 117 MET HA H 117 4.245 4.245 4.349 -0.104 25137 3437 1 5 . 1 1 117 117 MET C C 117 176.890 176.890 178.460 -1.570 25137 3438 1 5 . 1 1 117 117 MET CA C 117 57.638 57.638 58.479 -0.841 25137 3439 1 5 . 1 1 117 117 MET CB C 117 33.467 33.467 33.274 0.193 25137 3440 1 5 . 1 1 117 117 MET H H 117 7.712 7.712 7.616 0.096 25137 3441 1 5 . 1 1 118 118 CYS N N 118 113.993 113.993 114.077 -0.084 25137 3442 1 5 . 1 1 118 118 CYS HA H 118 4.699 4.699 4.804 -0.105 25137 3443 1 5 . 1 1 118 118 CYS C C 118 174.750 174.750 176.478 -1.728 25137 3444 1 5 . 1 1 118 118 CYS CA C 118 58.541 58.541 57.239 1.302 25137 3445 1 5 . 1 1 118 118 CYS CB C 118 28.552 28.552 27.165 1.387 25137 3446 1 5 . 1 1 118 118 CYS H H 118 7.428 7.428 7.660 -0.232 25137 3447 1 5 . 1 1 119 119 GLY N N 119 109.823 109.823 108.422 1.401 25137 3448 1 5 . 1 1 119 119 GLY C C 119 174.660 174.660 174.075 0.585 25137 3449 1 5 . 1 1 119 119 GLY CA C 119 45.709 45.709 45.076 0.633 25137 3450 1 5 . 1 1 119 119 GLY H H 119 8.056 8.056 7.600 0.456 25137 3451 1 5 . 1 1 120 120 GLY N N 120 108.821 108.821 109.046 -0.225 25137 3452 1 5 . 1 1 120 120 GLY C C 120 173.790 173.790 173.777 0.013 25137 3453 1 5 . 1 1 120 120 GLY CA C 120 45.326 45.326 45.684 -0.358 25137 3454 1 5 . 1 1 120 120 GLY H H 120 8.301 8.301 7.406 0.895 25137 3455 1 5 . 1 1 121 121 ASP N N 121 120.383 120.383 120.181 0.202 25137 3456 1 5 . 1 1 121 121 ASP HA H 121 4.591 4.591 4.699 -0.108 25137 3457 1 5 . 1 1 121 121 ASP C C 121 176.160 176.160 175.603 0.557 25137 3458 1 5 . 1 1 121 121 ASP CA C 121 54.313 54.313 54.669 -0.356 25137 3459 1 5 . 1 1 121 121 ASP CB C 121 41.079 41.079 41.150 -0.071 25137 3460 1 5 . 1 1 121 121 ASP H H 121 8.438 8.438 8.363 0.075 25137 3461 1 5 . 1 1 122 122 LYS N N 122 121.450 121.450 120.465 0.985 25137 3462 1 5 . 1 1 122 122 LYS HA H 122 4.350 4.350 4.411 -0.061 25137 3463 1 5 . 1 1 122 122 LYS C C 122 177.184 177.184 175.634 1.550 25137 3464 1 5 . 1 1 122 122 LYS CA C 122 55.890 55.890 55.700 0.190 25137 3465 1 5 . 1 1 122 122 LYS CB C 122 33.190 33.190 33.715 -0.525 25137 3466 1 5 . 1 1 122 122 LYS H H 122 8.258 8.258 7.583 0.675 25137 3467 1 5 . 1 1 123 123 GLU N N 123 123.560 123.560 123.504 0.056 25137 3468 1 5 . 1 1 123 123 GLU HA H 123 4.550 4.550 4.444 0.106 25137 3469 1 5 . 1 1 123 123 GLU CA C 123 54.470 54.470 54.009 0.461 25137 3470 1 5 . 1 1 123 123 GLU CB C 123 29.640 29.640 29.245 0.395 25137 3471 1 5 . 1 1 123 123 GLU H H 123 8.420 8.420 8.534 -0.114 25137 3472 1 5 . 1 1 124 124 PRO HA H 124 4.384 4.384 4.425 -0.041 25137 3473 1 5 . 1 1 124 124 PRO C C 124 175.770 175.770 175.562 0.208 25137 3474 1 5 . 1 1 124 124 PRO CA C 124 63.350 63.350 63.064 0.286 25137 3475 1 5 . 1 1 124 124 PRO CB C 124 32.300 32.300 30.026 2.274 25137 3476 1 6 . 1 1 2 2 ALA N N 2 123.423 123.423 125.929 -2.506 25137 3477 1 6 . 1 1 2 2 ALA HA H 2 4.357 4.357 4.658 -0.301 25137 3478 1 6 . 1 1 2 2 ALA C C 2 177.811 177.811 177.459 0.352 25137 3479 1 6 . 1 1 2 2 ALA CA C 2 52.652 52.652 51.922 0.730 25137 3480 1 6 . 1 1 2 2 ALA CB C 2 19.488 19.488 18.614 0.874 25137 3481 1 6 . 1 1 2 2 ALA H H 2 7.983 7.983 8.231 -0.248 25137 3482 1 6 . 1 1 3 3 MET N N 3 119.390 119.390 121.422 -2.032 25137 3483 1 6 . 1 1 3 3 MET HA H 3 4.482 4.482 4.758 -0.276 25137 3484 1 6 . 1 1 3 3 MET C C 3 176.569 176.569 176.468 0.101 25137 3485 1 6 . 1 1 3 3 MET CA C 3 55.570 55.570 54.723 0.847 25137 3486 1 6 . 1 1 3 3 MET CB C 3 32.900 32.900 32.991 -0.091 25137 3487 1 6 . 1 1 3 3 MET H H 3 8.570 8.570 7.803 0.767 25137 3488 1 6 . 1 1 4 4 GLY N N 4 110.130 110.130 109.982 0.148 25137 3489 1 6 . 1 1 4 4 GLY C C 4 173.630 173.630 173.983 -0.353 25137 3490 1 6 . 1 1 4 4 GLY CA C 4 45.270 45.270 44.462 0.808 25137 3491 1 6 . 1 1 4 4 GLY H H 4 8.370 8.370 8.303 0.067 25137 3492 1 6 . 1 1 5 5 MET N N 5 121.570 121.570 124.260 -2.690 25137 3493 1 6 . 1 1 5 5 MET HA H 5 4.780 4.780 4.708 0.072 25137 3494 1 6 . 1 1 5 5 MET CA C 5 53.630 53.630 53.841 -0.211 25137 3495 1 6 . 1 1 5 5 MET CB C 5 33.140 33.140 32.828 0.312 25137 3496 1 6 . 1 1 5 5 MET H H 5 8.210 8.210 8.326 -0.116 25137 3497 1 6 . 1 1 6 6 PRO HA H 6 4.505 4.505 4.583 -0.078 25137 3498 1 6 . 1 1 6 6 PRO C C 6 174.520 174.520 175.573 -1.053 25137 3499 1 6 . 1 1 6 6 PRO CA C 6 62.980 62.980 62.058 0.922 25137 3500 1 6 . 1 1 6 6 PRO CB C 6 32.400 32.400 32.536 -0.136 25137 3501 1 6 . 1 1 7 7 LYS N N 7 123.443 123.443 123.965 -0.522 25137 3502 1 6 . 1 1 7 7 LYS HA H 7 5.000 5.000 4.474 0.526 25137 3503 1 6 . 1 1 7 7 LYS C C 7 175.920 175.920 175.790 0.130 25137 3504 1 6 . 1 1 7 7 LYS CA C 7 54.911 54.911 55.253 -0.342 25137 3505 1 6 . 1 1 7 7 LYS CB C 7 33.635 33.635 32.332 1.303 25137 3506 1 6 . 1 1 7 7 LYS H H 7 9.675 9.675 9.308 0.367 25137 3507 1 6 . 1 1 8 8 VAL N N 8 125.859 125.859 127.864 -2.005 25137 3508 1 6 . 1 1 8 8 VAL HA H 8 4.723 4.723 5.022 -0.299 25137 3509 1 6 . 1 1 8 8 VAL C C 8 174.630 174.630 174.119 0.511 25137 3510 1 6 . 1 1 8 8 VAL CA C 8 59.726 59.726 60.709 -0.982 25137 3511 1 6 . 1 1 8 8 VAL CB C 8 34.991 34.991 33.532 1.459 25137 3512 1 6 . 1 1 8 8 VAL H H 8 8.851 8.851 9.020 -0.169 25137 3513 1 6 . 1 1 9 9 LEU N N 9 127.114 127.114 129.590 -2.476 25137 3514 1 6 . 1 1 9 9 LEU HA H 9 5.190 5.190 4.885 0.305 25137 3515 1 6 . 1 1 9 9 LEU C C 9 174.090 174.090 174.634 -0.544 25137 3516 1 6 . 1 1 9 9 LEU CA C 9 53.090 53.090 53.282 -0.192 25137 3517 1 6 . 1 1 9 9 LEU CB C 9 45.007 45.007 43.990 1.017 25137 3518 1 6 . 1 1 9 9 LEU H H 9 7.881 7.881 8.652 -0.771 25137 3519 1 6 . 1 1 10 10 VAL N N 10 128.024 128.024 128.053 -0.029 25137 3520 1 6 . 1 1 10 10 VAL HA H 10 4.647 4.647 4.464 0.183 25137 3521 1 6 . 1 1 10 10 VAL C C 10 172.900 172.900 173.989 -1.089 25137 3522 1 6 . 1 1 10 10 VAL CA C 10 61.206 61.206 61.497 -0.291 25137 3523 1 6 . 1 1 10 10 VAL CB C 10 34.541 34.541 32.609 1.932 25137 3524 1 6 . 1 1 10 10 VAL H H 10 8.952 8.952 9.183 -0.231 25137 3525 1 6 . 1 1 11 11 LEU N N 11 128.979 128.979 129.699 -0.720 25137 3526 1 6 . 1 1 11 11 LEU HA H 11 5.504 5.504 5.399 0.105 25137 3527 1 6 . 1 1 11 11 LEU C C 11 174.450 174.450 175.578 -1.128 25137 3528 1 6 . 1 1 11 11 LEU CA C 11 52.328 52.328 52.849 -0.521 25137 3529 1 6 . 1 1 11 11 LEU CB C 11 45.000 45.000 41.896 3.104 25137 3530 1 6 . 1 1 11 11 LEU H H 11 8.433 8.433 9.213 -0.780 25137 3531 1 6 . 1 1 12 12 GLU N N 12 128.158 128.158 124.992 3.166 25137 3532 1 6 . 1 1 12 12 GLU HA H 12 4.294 4.294 4.575 -0.281 25137 3533 1 6 . 1 1 12 12 GLU C C 12 173.120 173.120 174.651 -1.531 25137 3534 1 6 . 1 1 12 12 GLU CA C 12 56.964 56.964 56.468 0.497 25137 3535 1 6 . 1 1 12 12 GLU CB C 12 32.201 32.201 32.883 -0.682 25137 3536 1 6 . 1 1 12 12 GLU H H 12 8.532 8.532 8.809 -0.277 25137 3537 1 6 . 1 1 13 13 ASP N N 13 123.077 123.077 126.577 -3.500 25137 3538 1 6 . 1 1 13 13 ASP HA H 13 4.659 4.659 4.672 -0.013 25137 3539 1 6 . 1 1 13 13 ASP C C 13 176.090 176.090 176.590 -0.500 25137 3540 1 6 . 1 1 13 13 ASP CA C 13 55.140 55.140 55.253 -0.113 25137 3541 1 6 . 1 1 13 13 ASP CB C 13 40.524 40.524 41.857 -1.333 25137 3542 1 6 . 1 1 13 13 ASP H H 13 8.803 8.803 8.883 -0.080 25137 3543 1 6 . 1 1 14 14 GLU N N 14 126.685 126.685 121.027 5.658 25137 3544 1 6 . 1 1 14 14 GLU HA H 14 4.809 4.809 4.583 0.226 25137 3545 1 6 . 1 1 14 14 GLU CA C 14 54.574 54.574 54.264 0.310 25137 3546 1 6 . 1 1 14 14 GLU CB C 14 29.310 29.310 29.049 0.261 25137 3547 1 6 . 1 1 14 14 GLU H H 14 10.077 10.077 8.545 1.532 25137 3548 1 6 . 1 1 15 15 PRO HA H 15 4.273 4.273 4.266 0.007 25137 3549 1 6 . 1 1 15 15 PRO C C 15 179.110 179.110 178.233 0.877 25137 3550 1 6 . 1 1 15 15 PRO CA C 15 65.472 65.472 65.769 -0.297 25137 3551 1 6 . 1 1 15 15 PRO CB C 15 32.462 32.462 31.807 0.655 25137 3552 1 6 . 1 1 16 16 LEU N N 16 118.358 118.358 118.916 -0.558 25137 3553 1 6 . 1 1 16 16 LEU HA H 16 4.131 4.131 4.129 0.002 25137 3554 1 6 . 1 1 16 16 LEU C C 16 179.260 179.260 178.707 0.553 25137 3555 1 6 . 1 1 16 16 LEU CA C 16 58.306 58.306 57.843 0.463 25137 3556 1 6 . 1 1 16 16 LEU CB C 16 41.731 41.731 41.823 -0.092 25137 3557 1 6 . 1 1 16 16 LEU H H 16 8.851 8.851 7.991 0.860 25137 3558 1 6 . 1 1 17 17 ILE N N 17 117.680 117.680 119.405 -1.725 25137 3559 1 6 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.609 0.223 25137 3560 1 6 . 1 1 17 17 ILE C C 17 178.230 178.230 177.827 0.403 25137 3561 1 6 . 1 1 17 17 ILE CA C 17 63.344 63.344 64.754 -1.410 25137 3562 1 6 . 1 1 17 17 ILE CB C 17 36.564 36.564 37.599 -1.035 25137 3563 1 6 . 1 1 17 17 ILE H H 17 6.886 6.886 7.977 -1.091 25137 3564 1 6 . 1 1 18 18 ALA N N 18 122.321 122.321 122.526 -0.205 25137 3565 1 6 . 1 1 18 18 ALA HA H 18 3.720 3.720 4.006 -0.286 25137 3566 1 6 . 1 1 18 18 ALA C C 18 178.900 178.900 179.596 -0.696 25137 3567 1 6 . 1 1 18 18 ALA CA C 18 55.890 55.890 55.419 0.471 25137 3568 1 6 . 1 1 18 18 ALA CB C 18 18.165 18.165 18.122 0.043 25137 3569 1 6 . 1 1 18 18 ALA H H 18 7.988 7.988 8.631 -0.643 25137 3570 1 6 . 1 1 19 19 MET N N 19 115.807 115.807 119.081 -3.274 25137 3571 1 6 . 1 1 19 19 MET HA H 19 3.999 3.999 4.111 -0.112 25137 3572 1 6 . 1 1 19 19 MET C C 19 177.180 177.180 178.258 -1.078 25137 3573 1 6 . 1 1 19 19 MET CA C 19 58.144 58.144 59.520 -1.376 25137 3574 1 6 . 1 1 19 19 MET CB C 19 32.852 32.852 32.807 0.045 25137 3575 1 6 . 1 1 19 19 MET H H 19 8.204 8.204 8.399 -0.195 25137 3576 1 6 . 1 1 20 20 ASN N N 20 117.843 117.843 118.940 -1.097 25137 3577 1 6 . 1 1 20 20 ASN HA H 20 4.545 4.545 4.630 -0.085 25137 3578 1 6 . 1 1 20 20 ASN C C 20 179.590 179.590 178.357 1.233 25137 3579 1 6 . 1 1 20 20 ASN CA C 20 56.222 56.222 56.726 -0.504 25137 3580 1 6 . 1 1 20 20 ASN CB C 20 38.005 38.005 38.897 -0.892 25137 3581 1 6 . 1 1 20 20 ASN H H 20 7.839 7.839 8.019 -0.180 25137 3582 1 6 . 1 1 21 21 LEU N N 21 121.749 121.749 121.526 0.223 25137 3583 1 6 . 1 1 21 21 LEU HA H 21 4.055 4.055 4.095 -0.040 25137 3584 1 6 . 1 1 21 21 LEU C C 21 177.750 177.750 178.619 -0.869 25137 3585 1 6 . 1 1 21 21 LEU CA C 21 58.268 58.268 58.430 -0.162 25137 3586 1 6 . 1 1 21 21 LEU CB C 21 42.605 42.605 42.019 0.586 25137 3587 1 6 . 1 1 21 21 LEU H H 21 8.601 8.601 8.834 -0.233 25137 3588 1 6 . 1 1 22 22 GLN N N 22 120.991 120.991 119.809 1.182 25137 3589 1 6 . 1 1 22 22 GLN HA H 22 3.935 3.935 3.963 -0.028 25137 3590 1 6 . 1 1 22 22 GLN C C 22 178.070 178.070 178.471 -0.401 25137 3591 1 6 . 1 1 22 22 GLN CA C 22 60.463 60.463 59.538 0.925 25137 3592 1 6 . 1 1 22 22 GLN CB C 22 26.902 26.902 28.594 -1.692 25137 3593 1 6 . 1 1 22 22 GLN H H 22 8.749 8.749 8.496 0.253 25137 3594 1 6 . 1 1 23 23 TYR N N 23 117.446 117.446 118.635 -1.189 25137 3595 1 6 . 1 1 23 23 TYR HA H 23 4.517 4.517 4.586 -0.069 25137 3596 1 6 . 1 1 23 23 TYR C C 23 178.210 178.210 178.314 -0.104 25137 3597 1 6 . 1 1 23 23 TYR CA C 23 59.425 59.425 61.139 -1.714 25137 3598 1 6 . 1 1 23 23 TYR CB C 23 36.975 36.975 38.102 -1.127 25137 3599 1 6 . 1 1 23 23 TYR H H 23 8.450 8.450 8.684 -0.234 25137 3600 1 6 . 1 1 24 24 ALA N N 24 121.627 121.627 123.155 -1.528 25137 3601 1 6 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.031 0.069 25137 3602 1 6 . 1 1 24 24 ALA C C 24 180.910 180.910 179.092 1.818 25137 3603 1 6 . 1 1 24 24 ALA CA C 24 55.060 55.060 54.859 0.201 25137 3604 1 6 . 1 1 24 24 ALA CB C 24 18.070 18.070 18.023 0.047 25137 3605 1 6 . 1 1 24 24 ALA H H 24 7.765 7.765 7.992 -0.227 25137 3606 1 6 . 1 1 25 25 PHE N N 25 115.589 115.589 118.011 -2.422 25137 3607 1 6 . 1 1 25 25 PHE HA H 25 3.940 3.940 4.097 -0.157 25137 3608 1 6 . 1 1 25 25 PHE C C 25 179.090 179.090 178.257 0.833 25137 3609 1 6 . 1 1 25 25 PHE CA C 25 63.453 63.453 62.718 0.735 25137 3610 1 6 . 1 1 25 25 PHE CB C 25 39.484 39.484 38.915 0.569 25137 3611 1 6 . 1 1 25 25 PHE H H 25 8.348 8.348 8.636 -0.288 25137 3612 1 6 . 1 1 26 26 GLU N N 26 121.198 121.198 119.070 2.128 25137 3613 1 6 . 1 1 26 26 GLU HA H 26 4.429 4.429 4.287 0.142 25137 3614 1 6 . 1 1 26 26 GLU C C 26 181.680 181.680 178.864 2.816 25137 3615 1 6 . 1 1 26 26 GLU CA C 26 59.737 59.737 58.838 0.899 25137 3616 1 6 . 1 1 26 26 GLU CB C 26 28.925 28.925 29.324 -0.399 25137 3617 1 6 . 1 1 26 26 GLU H H 26 8.822 8.822 8.367 0.455 25137 3618 1 6 . 1 1 27 27 ASP N N 27 121.846 121.846 118.891 2.955 25137 3619 1 6 . 1 1 27 27 ASP HA H 27 4.468 4.468 4.475 -0.007 25137 3620 1 6 . 1 1 27 27 ASP C C 27 177.880 177.880 177.924 -0.044 25137 3621 1 6 . 1 1 27 27 ASP CA C 27 56.996 56.996 56.694 0.302 25137 3622 1 6 . 1 1 27 27 ASP CB C 27 40.640 40.640 41.016 -0.376 25137 3623 1 6 . 1 1 27 27 ASP H H 27 8.424 8.424 7.828 0.596 25137 3624 1 6 . 1 1 28 28 GLU N N 28 115.759 115.759 117.769 -2.010 25137 3625 1 6 . 1 1 28 28 GLU HA H 28 4.331 4.331 4.273 0.058 25137 3626 1 6 . 1 1 28 28 GLU C C 28 176.460 176.460 177.193 -0.733 25137 3627 1 6 . 1 1 28 28 GLU CA C 28 55.395 55.395 56.601 -1.206 25137 3628 1 6 . 1 1 28 28 GLU CB C 28 30.264 30.264 30.227 0.037 25137 3629 1 6 . 1 1 28 28 GLU H H 28 7.170 7.170 7.736 -0.566 25137 3630 1 6 . 1 1 29 29 GLY N N 29 106.899 106.899 107.585 -0.686 25137 3631 1 6 . 1 1 29 29 GLY C C 29 173.160 173.160 172.723 0.437 25137 3632 1 6 . 1 1 29 29 GLY CA C 29 45.589 45.589 45.133 0.456 25137 3633 1 6 . 1 1 29 29 GLY H H 29 7.889 7.889 7.791 0.098 25137 3634 1 6 . 1 1 30 30 ALA N N 30 121.007 121.007 121.121 -0.114 25137 3635 1 6 . 1 1 30 30 ALA HA H 30 4.680 4.680 5.131 -0.451 25137 3636 1 6 . 1 1 30 30 ALA C C 30 175.880 175.880 175.181 0.699 25137 3637 1 6 . 1 1 30 30 ALA CA C 30 50.666 50.666 50.965 -0.299 25137 3638 1 6 . 1 1 30 30 ALA CB C 30 21.882 21.882 22.237 -0.355 25137 3639 1 6 . 1 1 30 30 ALA H H 30 7.743 7.743 7.596 0.147 25137 3640 1 6 . 1 1 31 31 GLU N N 31 120.065 120.065 118.968 1.097 25137 3641 1 6 . 1 1 31 31 GLU HA H 31 4.664 4.664 4.749 -0.085 25137 3642 1 6 . 1 1 31 31 GLU C C 31 175.430 175.430 174.819 0.611 25137 3643 1 6 . 1 1 31 31 GLU CA C 31 55.136 55.136 54.158 0.978 25137 3644 1 6 . 1 1 31 31 GLU CB C 31 32.126 32.126 32.552 -0.426 25137 3645 1 6 . 1 1 31 31 GLU H H 31 8.595 8.595 8.633 -0.038 25137 3646 1 6 . 1 1 32 32 VAL N N 32 123.414 123.414 123.181 0.233 25137 3647 1 6 . 1 1 32 32 VAL HA H 32 4.787 4.787 4.841 -0.054 25137 3648 1 6 . 1 1 32 32 VAL C C 32 175.290 175.290 175.149 0.141 25137 3649 1 6 . 1 1 32 32 VAL CA C 32 60.802 60.802 60.498 0.304 25137 3650 1 6 . 1 1 32 32 VAL CB C 32 34.991 34.991 34.822 0.170 25137 3651 1 6 . 1 1 32 32 VAL H H 32 8.872 8.872 8.346 0.526 25137 3652 1 6 . 1 1 33 33 VAL N N 33 128.158 128.158 127.313 0.845 25137 3653 1 6 . 1 1 33 33 VAL HA H 33 4.226 4.226 4.373 -0.147 25137 3654 1 6 . 1 1 33 33 VAL C C 33 173.830 173.830 174.274 -0.444 25137 3655 1 6 . 1 1 33 33 VAL CA C 33 60.990 60.990 60.288 0.702 25137 3656 1 6 . 1 1 33 33 VAL CB C 33 33.736 33.736 33.655 0.081 25137 3657 1 6 . 1 1 33 33 VAL H H 33 9.042 9.042 9.034 0.008 25137 3658 1 6 . 1 1 34 34 VAL N N 34 126.239 126.239 128.332 -2.093 25137 3659 1 6 . 1 1 34 34 VAL HA H 34 4.751 4.751 4.199 0.552 25137 3660 1 6 . 1 1 34 34 VAL C C 34 175.100 175.100 174.790 0.310 25137 3661 1 6 . 1 1 34 34 VAL CA C 34 61.389 61.389 61.120 0.269 25137 3662 1 6 . 1 1 34 34 VAL CB C 34 33.193 33.193 33.055 0.138 25137 3663 1 6 . 1 1 34 34 VAL H H 34 8.522 8.522 8.559 -0.037 25137 3664 1 6 . 1 1 35 35 ALA N N 35 129.955 129.955 131.080 -1.125 25137 3665 1 6 . 1 1 35 35 ALA HA H 35 4.682 4.682 4.732 -0.050 25137 3666 1 6 . 1 1 35 35 ALA C C 35 174.380 174.380 175.546 -1.166 25137 3667 1 6 . 1 1 35 35 ALA CA C 35 50.154 50.154 51.260 -1.106 25137 3668 1 6 . 1 1 35 35 ALA CB C 35 22.922 22.922 22.285 0.638 25137 3669 1 6 . 1 1 35 35 ALA H H 35 9.388 9.388 8.994 0.394 25137 3670 1 6 . 1 1 36 36 ALA N N 36 121.011 121.011 123.172 -2.161 25137 3671 1 6 . 1 1 36 36 ALA HA H 36 4.632 4.632 4.630 0.002 25137 3672 1 6 . 1 1 36 36 ALA C C 36 176.490 176.490 176.568 -0.078 25137 3673 1 6 . 1 1 36 36 ALA CA C 36 51.778 51.778 52.629 -0.851 25137 3674 1 6 . 1 1 36 36 ALA CB C 36 21.506 21.506 19.599 1.907 25137 3675 1 6 . 1 1 36 36 ALA H H 36 8.539 8.539 8.547 -0.008 25137 3676 1 6 . 1 1 37 37 THR N N 37 102.880 102.880 107.029 -4.149 25137 3677 1 6 . 1 1 37 37 THR HA H 37 4.620 4.620 4.441 0.179 25137 3678 1 6 . 1 1 37 37 THR C C 37 174.710 174.710 175.311 -0.601 25137 3679 1 6 . 1 1 37 37 THR CA C 37 57.520 57.520 60.233 -2.713 25137 3680 1 6 . 1 1 37 37 THR CB C 37 72.972 72.972 72.086 0.886 25137 3681 1 6 . 1 1 37 37 THR H H 37 7.019 7.019 7.247 -0.228 25137 3682 1 6 . 1 1 38 38 CYS N N 38 120.553 120.553 120.632 -0.079 25137 3683 1 6 . 1 1 38 38 CYS HA H 38 3.677 3.677 4.142 -0.465 25137 3684 1 6 . 1 1 38 38 CYS C C 38 176.020 176.020 176.900 -0.880 25137 3685 1 6 . 1 1 38 38 CYS CA C 38 63.179 63.179 63.583 -0.404 25137 3686 1 6 . 1 1 38 38 CYS CB C 38 26.317 26.317 27.954 -1.637 25137 3687 1 6 . 1 1 38 38 CYS H H 38 9.398 9.398 8.736 0.662 25137 3688 1 6 . 1 1 39 39 GLU N N 39 118.521 118.521 120.614 -2.093 25137 3689 1 6 . 1 1 39 39 GLU HA H 39 3.829 3.829 3.932 -0.103 25137 3690 1 6 . 1 1 39 39 GLU C C 39 179.470 179.470 179.150 0.320 25137 3691 1 6 . 1 1 39 39 GLU CA C 39 60.594 60.594 59.794 0.800 25137 3692 1 6 . 1 1 39 39 GLU CB C 39 28.963 28.963 29.293 -0.330 25137 3693 1 6 . 1 1 39 39 GLU H H 39 8.960 8.960 8.555 0.405 25137 3694 1 6 . 1 1 40 40 GLN N N 40 118.602 118.602 118.376 0.226 25137 3695 1 6 . 1 1 40 40 GLN HA H 40 4.021 4.021 4.015 0.006 25137 3696 1 6 . 1 1 40 40 GLN C C 40 176.211 176.211 178.399 -2.188 25137 3697 1 6 . 1 1 40 40 GLN CA C 40 58.306 58.306 58.602 -0.297 25137 3698 1 6 . 1 1 40 40 GLN CB C 40 28.925 28.925 28.495 0.430 25137 3699 1 6 . 1 1 40 40 GLN H H 40 7.855 7.855 8.075 -0.220 25137 3700 1 6 . 1 1 41 41 ALA N N 41 122.395 122.395 123.360 -0.965 25137 3701 1 6 . 1 1 41 41 ALA HA H 41 3.735 3.735 3.966 -0.231 25137 3702 1 6 . 1 1 41 41 ALA C C 41 178.440 178.440 179.452 -1.012 25137 3703 1 6 . 1 1 41 41 ALA CA C 41 55.178 55.178 55.233 -0.055 25137 3704 1 6 . 1 1 41 41 ALA CB C 41 19.872 19.872 18.358 1.514 25137 3705 1 6 . 1 1 41 41 ALA H H 41 8.009 8.009 7.496 0.513 25137 3706 1 6 . 1 1 42 42 LEU N N 42 116.832 116.832 118.145 -1.313 25137 3707 1 6 . 1 1 42 42 LEU HA H 42 3.875 3.875 3.856 0.019 25137 3708 1 6 . 1 1 42 42 LEU C C 42 180.080 180.080 179.108 0.972 25137 3709 1 6 . 1 1 42 42 LEU CA C 42 58.011 58.011 57.502 0.509 25137 3710 1 6 . 1 1 42 42 LEU CB C 42 40.961 40.961 41.300 -0.339 25137 3711 1 6 . 1 1 42 42 LEU H H 42 8.497 8.497 8.447 0.050 25137 3712 1 6 . 1 1 43 43 LYS N N 43 121.087 121.087 119.954 1.133 25137 3713 1 6 . 1 1 43 43 LYS HA H 43 4.065 4.065 3.966 0.099 25137 3714 1 6 . 1 1 43 43 LYS C C 43 178.500 178.500 178.759 -0.259 25137 3715 1 6 . 1 1 43 43 LYS CA C 43 59.256 59.256 59.071 0.185 25137 3716 1 6 . 1 1 43 43 LYS CB C 43 32.295 32.295 32.008 0.287 25137 3717 1 6 . 1 1 43 43 LYS H H 43 7.593 7.593 7.869 -0.276 25137 3718 1 6 . 1 1 44 44 SER N N 44 115.150 115.150 115.702 -0.552 25137 3719 1 6 . 1 1 44 44 SER HA H 44 4.130 4.130 4.210 -0.080 25137 3720 1 6 . 1 1 44 44 SER C C 44 176.430 176.430 176.816 -0.386 25137 3721 1 6 . 1 1 44 44 SER CA C 44 62.900 62.900 61.360 1.540 25137 3722 1 6 . 1 1 44 44 SER CB C 44 62.900 62.900 62.972 -0.072 25137 3723 1 6 . 1 1 44 44 SER H H 44 8.100 8.100 7.915 0.185 25137 3724 1 6 . 1 1 45 45 LEU N N 45 120.050 120.050 122.502 -2.452 25137 3725 1 6 . 1 1 45 45 LEU HA H 45 4.121 4.121 4.040 0.081 25137 3726 1 6 . 1 1 45 45 LEU C C 45 177.260 177.260 177.475 -0.215 25137 3727 1 6 . 1 1 45 45 LEU CA C 45 56.770 56.770 57.640 -0.870 25137 3728 1 6 . 1 1 45 45 LEU CB C 45 42.389 42.389 41.794 0.595 25137 3729 1 6 . 1 1 45 45 LEU H H 45 8.050 8.050 8.458 -0.408 25137 3730 1 6 . 1 1 46 46 ALA N N 46 119.940 119.940 119.979 -0.039 25137 3731 1 6 . 1 1 46 46 ALA HA H 46 4.093 4.093 4.113 -0.020 25137 3732 1 6 . 1 1 46 46 ALA C C 46 179.310 179.310 179.603 -0.293 25137 3733 1 6 . 1 1 46 46 ALA CA C 46 54.126 54.126 54.364 -0.238 25137 3734 1 6 . 1 1 46 46 ALA CB C 46 18.412 18.412 18.415 -0.003 25137 3735 1 6 . 1 1 46 46 ALA H H 46 7.360 7.360 7.367 -0.007 25137 3736 1 6 . 1 1 47 47 ASP N N 47 115.277 115.277 118.934 -3.657 25137 3737 1 6 . 1 1 47 47 ASP HA H 47 4.610 4.610 4.586 0.024 25137 3738 1 6 . 1 1 47 47 ASP C C 47 175.930 175.930 176.758 -0.828 25137 3739 1 6 . 1 1 47 47 ASP CA C 47 55.087 55.087 55.792 -0.705 25137 3740 1 6 . 1 1 47 47 ASP CB C 47 42.364 42.364 41.825 0.539 25137 3741 1 6 . 1 1 47 47 ASP H H 47 7.583 7.583 8.309 -0.726 25137 3742 1 6 . 1 1 48 48 ASN N N 48 116.977 116.977 116.599 0.378 25137 3743 1 6 . 1 1 48 48 ASN HA H 48 5.219 5.219 5.139 0.080 25137 3744 1 6 . 1 1 48 48 ASN CA C 48 51.096 51.096 50.983 0.113 25137 3745 1 6 . 1 1 48 48 ASN CB C 48 42.381 42.381 40.139 2.242 25137 3746 1 6 . 1 1 48 48 ASN H H 48 7.727 7.727 8.354 -0.627 25137 3747 1 6 . 1 1 49 49 PRO HA H 49 4.551 4.551 4.610 -0.059 25137 3748 1 6 . 1 1 49 49 PRO C C 49 174.890 174.890 175.488 -0.598 25137 3749 1 6 . 1 1 49 49 PRO CA C 49 62.093 62.093 62.213 -0.120 25137 3750 1 6 . 1 1 49 49 PRO CB C 49 29.940 29.940 31.082 -1.142 25137 3751 1 6 . 1 1 50 50 ILE N N 50 122.280 122.280 123.856 -1.576 25137 3752 1 6 . 1 1 50 50 ILE HA H 50 3.908 3.908 3.930 -0.022 25137 3753 1 6 . 1 1 50 50 ILE C C 50 174.840 174.840 176.046 -1.206 25137 3754 1 6 . 1 1 50 50 ILE CA C 50 58.580 58.580 60.912 -2.332 25137 3755 1 6 . 1 1 50 50 ILE CB C 50 38.850 38.850 37.113 1.737 25137 3756 1 6 . 1 1 50 50 ILE H H 50 7.420 7.420 7.863 -0.443 25137 3757 1 6 . 1 1 51 51 ASP N N 51 123.770 123.770 126.748 -2.978 25137 3758 1 6 . 1 1 51 51 ASP HA H 51 4.749 4.749 4.756 -0.007 25137 3759 1 6 . 1 1 51 51 ASP C C 51 175.114 175.114 175.679 -0.565 25137 3760 1 6 . 1 1 51 51 ASP CA C 51 56.930 56.930 56.257 0.673 25137 3761 1 6 . 1 1 51 51 ASP CB C 51 44.360 44.360 42.963 1.397 25137 3762 1 6 . 1 1 51 51 ASP H H 51 9.310 9.310 8.800 0.510 25137 3763 1 6 . 1 1 52 52 VAL N N 52 114.454 114.454 115.986 -1.532 25137 3764 1 6 . 1 1 52 52 VAL HA H 52 4.874 4.874 4.809 0.065 25137 3765 1 6 . 1 1 52 52 VAL C C 52 171.129 171.129 173.059 -1.930 25137 3766 1 6 . 1 1 52 52 VAL CA C 52 59.850 59.850 60.066 -0.215 25137 3767 1 6 . 1 1 52 52 VAL CB C 52 32.980 32.980 35.013 -2.033 25137 3768 1 6 . 1 1 52 52 VAL H H 52 7.580 7.580 7.558 0.022 25137 3769 1 6 . 1 1 53 53 ALA N N 53 124.620 124.620 126.316 -1.696 25137 3770 1 6 . 1 1 53 53 ALA HA H 53 5.665 5.665 5.296 0.369 25137 3771 1 6 . 1 1 53 53 ALA C C 53 175.100 175.100 175.148 -0.048 25137 3772 1 6 . 1 1 53 53 ALA CA C 53 49.810 49.810 50.052 -0.242 25137 3773 1 6 . 1 1 53 53 ALA CB C 53 25.750 25.750 22.888 2.862 25137 3774 1 6 . 1 1 53 53 ALA H H 53 7.780 7.780 8.776 -0.996 25137 3775 1 6 . 1 1 54 54 VAL N N 54 118.950 118.950 116.733 2.217 25137 3776 1 6 . 1 1 54 54 VAL HA H 54 4.647 4.647 4.884 -0.237 25137 3777 1 6 . 1 1 54 54 VAL C C 54 174.020 174.020 174.353 -0.333 25137 3778 1 6 . 1 1 54 54 VAL CA C 54 61.580 61.580 61.042 0.538 25137 3779 1 6 . 1 1 54 54 VAL CB C 54 34.320 34.320 33.879 0.441 25137 3780 1 6 . 1 1 54 54 VAL H H 54 8.730 8.730 8.971 -0.241 25137 3781 1 6 . 1 1 55 55 LEU N N 55 124.820 124.820 128.707 -3.887 25137 3782 1 6 . 1 1 55 55 LEU HA H 55 4.953 4.953 4.696 0.257 25137 3783 1 6 . 1 1 55 55 LEU C C 55 176.110 176.110 175.369 0.741 25137 3784 1 6 . 1 1 55 55 LEU CA C 55 53.540 53.540 53.894 -0.354 25137 3785 1 6 . 1 1 55 55 LEU CB C 55 42.690 42.690 43.016 -0.326 25137 3786 1 6 . 1 1 55 55 LEU H H 55 9.240 9.240 9.229 0.011 25137 3787 1 6 . 1 1 56 56 ASP N N 56 124.220 124.220 124.828 -0.608 25137 3788 1 6 . 1 1 56 56 ASP HA H 56 5.629 5.629 5.446 0.183 25137 3789 1 6 . 1 1 56 56 ASP C C 56 174.460 174.460 177.676 -3.216 25137 3790 1 6 . 1 1 56 56 ASP CA C 56 52.930 52.930 54.171 -1.241 25137 3791 1 6 . 1 1 56 56 ASP CB C 56 43.400 43.400 42.378 1.022 25137 3792 1 6 . 1 1 56 56 ASP H H 56 8.360 8.360 8.825 -0.465 25137 3793 1 6 . 1 1 57 57 VAL N N 57 119.581 119.581 124.537 -4.956 25137 3794 1 6 . 1 1 57 57 VAL HA H 57 4.239 4.239 3.796 0.443 25137 3795 1 6 . 1 1 57 57 VAL C C 57 175.480 175.480 175.970 -0.490 25137 3796 1 6 . 1 1 57 57 VAL CA C 57 64.564 64.564 63.543 1.021 25137 3797 1 6 . 1 1 57 57 VAL CB C 57 32.520 32.520 31.342 1.178 25137 3798 1 6 . 1 1 57 57 VAL H H 57 7.022 7.022 8.066 -1.044 25137 3799 1 6 . 1 1 58 58 ASN N N 58 114.490 114.490 118.324 -3.834 25137 3800 1 6 . 1 1 58 58 ASN HA H 58 4.693 4.693 4.766 -0.073 25137 3801 1 6 . 1 1 58 58 ASN C C 58 173.400 173.400 174.955 -1.555 25137 3802 1 6 . 1 1 58 58 ASN CA C 58 53.570 53.570 52.392 1.178 25137 3803 1 6 . 1 1 58 58 ASN CB C 58 38.820 38.820 38.242 0.578 25137 3804 1 6 . 1 1 58 58 ASN H H 58 8.600 8.600 7.676 0.924 25137 3805 1 6 . 1 1 59 59 LEU N N 59 130.670 130.670 121.644 9.026 25137 3806 1 6 . 1 1 59 59 LEU HA H 59 4.647 4.647 4.590 0.057 25137 3807 1 6 . 1 1 59 59 LEU C C 59 175.340 175.340 176.503 -1.163 25137 3808 1 6 . 1 1 59 59 LEU CA C 59 53.550 53.550 54.332 -0.782 25137 3809 1 6 . 1 1 59 59 LEU CB C 59 41.430 41.430 42.400 -0.970 25137 3810 1 6 . 1 1 59 59 LEU H H 59 8.260 8.260 7.807 0.453 25137 3811 1 6 . 1 1 60 60 GLY N N 60 109.030 109.030 105.759 3.271 25137 3812 1 6 . 1 1 60 60 GLY CA C 60 44.610 44.610 45.251 -0.641 25137 3813 1 6 . 1 1 60 60 GLY H H 60 7.860 7.860 7.330 0.530 25137 3814 1 6 . 1 1 61 61 PRO HA H 61 4.385 4.385 4.304 0.081 25137 3815 1 6 . 1 1 61 61 PRO C C 61 177.960 177.960 177.882 0.078 25137 3816 1 6 . 1 1 61 61 PRO CA C 61 64.888 64.888 64.888 0.000 25137 3817 1 6 . 1 1 61 61 PRO CB C 61 32.070 32.070 32.450 -0.380 25137 3818 1 6 . 1 1 62 62 LYS N N 62 115.984 115.984 115.396 0.588 25137 3819 1 6 . 1 1 62 62 LYS HA H 62 4.524 4.524 4.392 0.132 25137 3820 1 6 . 1 1 62 62 LYS C C 62 175.810 175.810 175.757 0.053 25137 3821 1 6 . 1 1 62 62 LYS CA C 62 55.444 55.444 56.068 -0.624 25137 3822 1 6 . 1 1 62 62 LYS CB C 62 33.216 33.216 33.065 0.151 25137 3823 1 6 . 1 1 62 62 LYS H H 62 8.625 8.625 8.193 0.432 25137 3824 1 6 . 1 1 63 63 SER N N 63 113.432 113.432 116.164 -2.732 25137 3825 1 6 . 1 1 63 63 SER HA H 63 4.609 4.609 4.231 0.378 25137 3826 1 6 . 1 1 63 63 SER C C 63 172.560 172.560 173.161 -0.601 25137 3827 1 6 . 1 1 63 63 SER CA C 63 57.715 57.715 59.368 -1.653 25137 3828 1 6 . 1 1 63 63 SER CB C 63 64.866 64.866 63.656 1.210 25137 3829 1 6 . 1 1 63 63 SER H H 63 7.389 7.389 8.035 -0.646 25137 3830 1 6 . 1 1 64 64 HIS N N 64 122.580 122.580 118.957 3.623 25137 3831 1 6 . 1 1 64 64 HIS HA H 64 5.833 5.833 5.147 0.686 25137 3832 1 6 . 1 1 64 64 HIS C C 64 176.210 176.210 175.172 1.038 25137 3833 1 6 . 1 1 64 64 HIS CA C 64 54.006 54.006 53.767 0.239 25137 3834 1 6 . 1 1 64 64 HIS CB C 64 34.092 34.092 32.776 1.316 25137 3835 1 6 . 1 1 64 64 HIS H H 64 7.762 7.762 7.717 0.045 25137 3836 1 6 . 1 1 65 65 CYS N N 65 111.478 111.478 121.573 -10.095 25137 3837 1 6 . 1 1 65 65 CYS HA H 65 4.342 4.342 4.455 -0.113 25137 3838 1 6 . 1 1 65 65 CYS C C 65 175.881 175.881 174.814 1.067 25137 3839 1 6 . 1 1 65 65 CYS CA C 65 57.980 57.980 58.474 -0.494 25137 3840 1 6 . 1 1 65 65 CYS CB C 65 29.790 29.790 26.284 3.506 25137 3841 1 6 . 1 1 65 65 CYS H H 65 7.946 7.946 8.409 -0.463 25137 3842 1 6 . 1 1 66 66 GLY N N 66 120.340 120.340 113.265 7.075 25137 3843 1 6 . 1 1 66 66 GLY CA C 66 48.880 48.880 46.086 2.794 25137 3844 1 6 . 1 1 66 66 GLY H H 66 11.290 11.290 8.238 3.052 25137 3845 1 6 . 1 1 67 67 PRO HA H 67 4.386 4.386 4.217 0.169 25137 3846 1 6 . 1 1 67 67 PRO C C 67 179.860 179.860 178.268 1.592 25137 3847 1 6 . 1 1 67 67 PRO CA C 67 65.388 65.388 65.783 -0.395 25137 3848 1 6 . 1 1 67 67 PRO CB C 67 32.970 32.970 31.348 1.622 25137 3849 1 6 . 1 1 68 68 VAL N N 68 116.564 116.564 116.519 0.045 25137 3850 1 6 . 1 1 68 68 VAL HA H 68 3.494 3.494 3.569 -0.075 25137 3851 1 6 . 1 1 68 68 VAL C C 68 176.350 176.350 177.418 -1.068 25137 3852 1 6 . 1 1 68 68 VAL CA C 68 64.839 64.839 66.012 -1.173 25137 3853 1 6 . 1 1 68 68 VAL CB C 68 31.396 31.396 31.149 0.247 25137 3854 1 6 . 1 1 68 68 VAL H H 68 7.471 7.471 7.931 -0.460 25137 3855 1 6 . 1 1 69 69 ALA N N 69 122.825 122.825 123.468 -0.643 25137 3856 1 6 . 1 1 69 69 ALA HA H 69 3.085 3.085 3.283 -0.198 25137 3857 1 6 . 1 1 69 69 ALA C C 69 179.280 179.280 179.171 0.109 25137 3858 1 6 . 1 1 69 69 ALA CA C 69 55.209 55.209 55.055 0.154 25137 3859 1 6 . 1 1 69 69 ALA CB C 69 18.141 18.141 18.162 -0.021 25137 3860 1 6 . 1 1 69 69 ALA H H 69 7.880 7.880 7.859 0.021 25137 3861 1 6 . 1 1 70 70 ASP N N 70 116.269 116.269 119.643 -3.374 25137 3862 1 6 . 1 1 70 70 ASP HA H 70 4.314 4.314 4.254 0.060 25137 3863 1 6 . 1 1 70 70 ASP C C 70 178.300 178.300 178.542 -0.242 25137 3864 1 6 . 1 1 70 70 ASP CA C 70 57.530 57.530 58.336 -0.806 25137 3865 1 6 . 1 1 70 70 ASP CB C 70 40.582 40.582 40.348 0.234 25137 3866 1 6 . 1 1 70 70 ASP H H 70 8.316 8.316 7.986 0.330 25137 3867 1 6 . 1 1 71 71 ALA N N 71 122.771 122.771 122.543 0.228 25137 3868 1 6 . 1 1 71 71 ALA HA H 71 4.045 4.045 4.013 0.032 25137 3869 1 6 . 1 1 71 71 ALA C C 71 180.700 180.700 179.722 0.978 25137 3870 1 6 . 1 1 71 71 ALA CA C 71 55.062 55.062 55.089 -0.027 25137 3871 1 6 . 1 1 71 71 ALA CB C 71 18.675 18.675 18.363 0.312 25137 3872 1 6 . 1 1 71 71 ALA H H 71 7.156 7.156 7.951 -0.795 25137 3873 1 6 . 1 1 72 72 LEU N N 72 119.021 119.021 118.038 0.983 25137 3874 1 6 . 1 1 72 72 LEU HA H 72 3.824 3.824 3.899 -0.075 25137 3875 1 6 . 1 1 72 72 LEU C C 72 179.560 179.560 179.558 0.002 25137 3876 1 6 . 1 1 72 72 LEU CA C 72 58.351 58.351 57.588 0.763 25137 3877 1 6 . 1 1 72 72 LEU CB C 72 40.437 40.437 41.381 -0.944 25137 3878 1 6 . 1 1 72 72 LEU H H 72 8.250 8.250 8.128 0.122 25137 3879 1 6 . 1 1 73 73 LYS N N 73 120.087 120.087 119.133 0.954 25137 3880 1 6 . 1 1 73 73 LYS HA H 73 4.431 4.431 4.157 0.274 25137 3881 1 6 . 1 1 73 73 LYS C C 73 181.310 181.310 179.700 1.610 25137 3882 1 6 . 1 1 73 73 LYS CA C 73 59.307 59.307 58.945 0.362 25137 3883 1 6 . 1 1 73 73 LYS CB C 73 32.404 32.404 31.899 0.505 25137 3884 1 6 . 1 1 73 73 LYS H H 73 8.383 8.383 8.323 0.060 25137 3885 1 6 . 1 1 74 74 GLN N N 74 118.982 118.982 118.307 0.675 25137 3886 1 6 . 1 1 74 74 GLN HA H 74 4.074 4.074 4.153 -0.079 25137 3887 1 6 . 1 1 74 74 GLN C C 74 177.620 177.620 178.129 -0.509 25137 3888 1 6 . 1 1 74 74 GLN CA C 74 58.834 58.834 58.228 0.606 25137 3889 1 6 . 1 1 74 74 GLN CB C 74 28.505 28.505 28.938 -0.433 25137 3890 1 6 . 1 1 74 74 GLN H H 74 8.015 8.015 8.056 -0.041 25137 3891 1 6 . 1 1 75 75 ARG N N 75 116.770 116.770 116.593 0.177 25137 3892 1 6 . 1 1 75 75 ARG HA H 75 4.272 4.272 4.396 -0.124 25137 3893 1 6 . 1 1 75 75 ARG C C 75 174.310 174.310 175.555 -1.245 25137 3894 1 6 . 1 1 75 75 ARG CA C 75 55.950 55.950 55.639 0.311 25137 3895 1 6 . 1 1 75 75 ARG CB C 75 31.780 31.780 30.544 1.236 25137 3896 1 6 . 1 1 75 75 ARG H H 75 7.240 7.240 7.607 -0.367 25137 3897 1 6 . 1 1 76 76 ALA N N 76 122.020 122.020 119.896 2.124 25137 3898 1 6 . 1 1 76 76 ALA HA H 76 4.050 4.050 4.070 -0.020 25137 3899 1 6 . 1 1 76 76 ALA C C 76 176.240 176.240 177.087 -0.847 25137 3900 1 6 . 1 1 76 76 ALA CA C 76 53.170 53.170 52.991 0.179 25137 3901 1 6 . 1 1 76 76 ALA CB C 76 16.650 16.650 16.971 -0.321 25137 3902 1 6 . 1 1 76 76 ALA H H 76 8.065 8.065 7.593 0.472 25137 3903 1 6 . 1 1 77 77 ILE N N 77 122.300 122.300 119.985 2.315 25137 3904 1 6 . 1 1 77 77 ILE HA H 77 4.502 4.502 4.319 0.182 25137 3905 1 6 . 1 1 77 77 ILE CA C 77 58.610 58.610 58.806 -0.196 25137 3906 1 6 . 1 1 77 77 ILE CB C 77 40.000 40.000 39.173 0.827 25137 3907 1 6 . 1 1 77 77 ILE H H 77 8.080 8.080 8.137 -0.057 25137 3908 1 6 . 1 1 78 78 PRO HA H 78 4.454 4.454 4.513 -0.059 25137 3909 1 6 . 1 1 78 78 PRO C C 78 174.680 174.680 175.441 -0.761 25137 3910 1 6 . 1 1 78 78 PRO CA C 78 62.622 62.622 62.661 -0.039 25137 3911 1 6 . 1 1 78 78 PRO CB C 78 32.772 32.772 32.271 0.501 25137 3912 1 6 . 1 1 79 79 PHE N N 79 109.800 109.800 115.870 -6.070 25137 3913 1 6 . 1 1 79 79 PHE HA H 79 5.656 5.656 5.637 0.019 25137 3914 1 6 . 1 1 79 79 PHE C C 79 172.780 172.780 173.623 -0.843 25137 3915 1 6 . 1 1 79 79 PHE CA C 79 55.612 55.612 55.852 -0.240 25137 3916 1 6 . 1 1 79 79 PHE CB C 79 42.181 42.181 42.368 -0.187 25137 3917 1 6 . 1 1 79 79 PHE H H 79 7.463 7.463 7.852 -0.389 25137 3918 1 6 . 1 1 80 80 ILE N N 80 114.746 114.746 120.290 -5.544 25137 3919 1 6 . 1 1 80 80 ILE HA H 80 4.545 4.545 4.576 -0.031 25137 3920 1 6 . 1 1 80 80 ILE C C 80 174.750 174.750 175.090 -0.340 25137 3921 1 6 . 1 1 80 80 ILE CA C 80 58.914 58.914 59.865 -0.951 25137 3922 1 6 . 1 1 80 80 ILE CB C 80 43.079 43.079 42.317 0.762 25137 3923 1 6 . 1 1 80 80 ILE H H 80 8.024 8.024 8.318 -0.294 25137 3924 1 6 . 1 1 81 81 LEU N N 81 124.450 124.450 126.929 -2.479 25137 3925 1 6 . 1 1 81 81 LEU HA H 81 5.470 5.470 5.200 0.270 25137 3926 1 6 . 1 1 81 81 LEU C C 81 175.620 175.620 176.162 -0.542 25137 3927 1 6 . 1 1 81 81 LEU CA C 81 53.345 53.345 53.160 0.185 25137 3928 1 6 . 1 1 81 81 LEU CB C 81 43.304 43.304 40.135 3.169 25137 3929 1 6 . 1 1 81 81 LEU H H 81 8.935 8.935 9.087 -0.152 25137 3930 1 6 . 1 1 82 82 HIS N N 82 126.167 126.167 126.309 -0.142 25137 3931 1 6 . 1 1 82 82 HIS HA H 82 5.880 5.880 5.606 0.274 25137 3932 1 6 . 1 1 82 82 HIS C C 82 172.730 172.730 174.652 -1.922 25137 3933 1 6 . 1 1 82 82 HIS CA C 82 52.947 52.947 54.123 -1.176 25137 3934 1 6 . 1 1 82 82 HIS CB C 82 31.171 31.171 32.218 -1.047 25137 3935 1 6 . 1 1 82 82 HIS H H 82 8.828 8.828 8.964 -0.136 25137 3936 1 6 . 1 1 83 83 THR N N 83 114.001 114.001 119.741 -5.740 25137 3937 1 6 . 1 1 83 83 THR HA H 83 5.305 5.305 4.405 0.900 25137 3938 1 6 . 1 1 83 83 THR C C 83 172.800 172.800 172.867 -0.067 25137 3939 1 6 . 1 1 83 83 THR CA C 83 58.807 58.807 62.003 -3.196 25137 3940 1 6 . 1 1 83 83 THR CB C 83 69.366 69.366 70.653 -1.287 25137 3941 1 6 . 1 1 83 83 THR H H 83 7.252 7.252 8.676 -1.424 25137 3942 1 6 . 1 1 84 84 GLY N N 84 115.666 115.666 110.016 5.650 25137 3943 1 6 . 1 1 84 84 GLY C C 84 173.764 173.764 174.507 -0.743 25137 3944 1 6 . 1 1 84 84 GLY CA C 84 45.284 45.284 45.005 0.279 25137 3945 1 6 . 1 1 84 84 GLY H H 84 8.483 8.483 8.824 -0.341 25137 3946 1 6 . 1 1 85 85 ASP N N 85 123.490 123.490 121.159 2.331 25137 3947 1 6 . 1 1 85 85 ASP HA H 85 4.982 4.982 4.856 0.126 25137 3948 1 6 . 1 1 85 85 ASP C C 85 175.829 175.829 175.922 -0.093 25137 3949 1 6 . 1 1 85 85 ASP CA C 85 53.420 53.420 54.059 -0.639 25137 3950 1 6 . 1 1 85 85 ASP CB C 85 41.560 41.560 41.346 0.214 25137 3951 1 6 . 1 1 85 85 ASP H H 85 8.510 8.510 7.933 0.577 25137 3952 1 6 . 1 1 86 86 LEU N N 86 122.010 122.010 119.664 2.346 25137 3953 1 6 . 1 1 86 86 LEU HA H 86 3.997 3.997 4.082 -0.085 25137 3954 1 6 . 1 1 86 86 LEU C C 86 178.242 178.242 177.740 0.502 25137 3955 1 6 . 1 1 86 86 LEU CA C 86 57.410 57.410 58.410 -1.000 25137 3956 1 6 . 1 1 86 86 LEU CB C 86 42.000 42.000 42.065 -0.065 25137 3957 1 6 . 1 1 86 86 LEU H H 86 8.210 8.210 8.164 0.046 25137 3958 1 6 . 1 1 87 87 ASP N N 87 117.260 117.260 117.821 -0.561 25137 3959 1 6 . 1 1 87 87 ASP HA H 87 4.535 4.535 4.471 0.064 25137 3960 1 6 . 1 1 87 87 ASP C C 87 178.351 178.351 179.300 -0.949 25137 3961 1 6 . 1 1 87 87 ASP CA C 87 56.010 56.010 57.217 -1.207 25137 3962 1 6 . 1 1 87 87 ASP CB C 87 41.400 41.400 40.758 0.642 25137 3963 1 6 . 1 1 87 87 ASP H H 87 8.290 8.290 8.327 -0.037 25137 3964 1 6 . 1 1 88 88 ARG N N 88 120.750 120.750 120.652 0.098 25137 3965 1 6 . 1 1 88 88 ARG HA H 88 4.015 4.015 4.068 -0.053 25137 3966 1 6 . 1 1 88 88 ARG C C 88 177.300 177.300 177.153 0.147 25137 3967 1 6 . 1 1 88 88 ARG CA C 88 58.340 58.340 58.070 0.270 25137 3968 1 6 . 1 1 88 88 ARG CB C 88 30.460 30.460 30.332 0.128 25137 3969 1 6 . 1 1 88 88 ARG H H 88 8.040 8.040 8.232 -0.192 25137 3970 1 6 . 1 1 89 89 HIS N N 89 115.580 115.580 115.394 0.186 25137 3971 1 6 . 1 1 89 89 HIS HA H 89 5.026 5.026 4.836 0.190 25137 3972 1 6 . 1 1 89 89 HIS C C 89 175.670 175.670 175.141 0.529 25137 3973 1 6 . 1 1 89 89 HIS CA C 89 55.300 55.300 55.199 0.101 25137 3974 1 6 . 1 1 89 89 HIS CB C 89 29.890 29.890 30.465 -0.576 25137 3975 1 6 . 1 1 89 89 HIS H H 89 7.900 7.900 8.093 -0.193 25137 3976 1 6 . 1 1 90 90 GLY N N 90 108.320 108.320 108.578 -0.258 25137 3977 1 6 . 1 1 90 90 GLY C C 90 175.880 175.880 175.411 0.469 25137 3978 1 6 . 1 1 90 90 GLY CA C 90 48.310 48.310 47.253 1.057 25137 3979 1 6 . 1 1 90 90 GLY H H 90 7.790 7.790 7.660 0.130 25137 3980 1 6 . 1 1 91 91 GLU N N 91 120.490 120.490 121.084 -0.594 25137 3981 1 6 . 1 1 91 91 GLU HA H 91 4.043 4.043 3.981 0.062 25137 3982 1 6 . 1 1 91 91 GLU C C 91 178.410 178.410 178.640 -0.230 25137 3983 1 6 . 1 1 91 91 GLU CA C 91 59.200 59.200 58.963 0.237 25137 3984 1 6 . 1 1 91 91 GLU CB C 91 29.240 29.240 28.849 0.390 25137 3985 1 6 . 1 1 91 91 GLU H H 91 8.580 8.580 8.263 0.317 25137 3986 1 6 . 1 1 92 92 LEU N N 92 121.740 121.740 120.990 0.750 25137 3987 1 6 . 1 1 92 92 LEU HA H 92 4.048 4.048 4.038 0.010 25137 3988 1 6 . 1 1 92 92 LEU C C 92 178.630 178.630 178.432 0.198 25137 3989 1 6 . 1 1 92 92 LEU CA C 92 57.690 57.690 57.905 -0.215 25137 3990 1 6 . 1 1 92 92 LEU CB C 92 41.820 41.820 41.755 0.065 25137 3991 1 6 . 1 1 92 92 LEU H H 92 7.690 7.690 7.846 -0.156 25137 3992 1 6 . 1 1 93 93 LEU N N 93 117.310 117.310 119.155 -1.845 25137 3993 1 6 . 1 1 93 93 LEU HA H 93 3.881 3.881 3.833 0.048 25137 3994 1 6 . 1 1 93 93 LEU C C 93 174.967 174.967 179.129 -4.162 25137 3995 1 6 . 1 1 93 93 LEU CA C 93 57.940 57.940 58.340 -0.400 25137 3996 1 6 . 1 1 93 93 LEU CB C 93 40.640 40.640 41.242 -0.602 25137 3997 1 6 . 1 1 93 93 LEU H H 93 8.160 8.160 8.538 -0.378 25137 3998 1 6 . 1 1 94 94 ARG N N 94 117.940 117.940 118.420 -0.480 25137 3999 1 6 . 1 1 94 94 ARG HA H 94 4.120 4.120 4.115 0.005 25137 4000 1 6 . 1 1 94 94 ARG C C 94 177.870 177.870 178.329 -0.459 25137 4001 1 6 . 1 1 94 94 ARG CA C 94 58.450 58.450 59.060 -0.610 25137 4002 1 6 . 1 1 94 94 ARG CB C 94 30.370 30.370 30.197 0.173 25137 4003 1 6 . 1 1 94 94 ARG H H 94 7.770 7.770 8.054 -0.284 25137 4004 1 6 . 1 1 95 95 LYS N N 95 118.380 118.380 118.463 -0.083 25137 4005 1 6 . 1 1 95 95 LYS HA H 95 4.160 4.160 4.140 0.020 25137 4006 1 6 . 1 1 95 95 LYS C C 95 177.730 177.730 178.336 -0.606 25137 4007 1 6 . 1 1 95 95 LYS CA C 95 57.600 57.600 58.754 -1.154 25137 4008 1 6 . 1 1 95 95 LYS CB C 95 32.770 32.770 32.896 -0.126 25137 4009 1 6 . 1 1 95 95 LYS H H 95 7.640 7.640 7.510 0.130 25137 4010 1 6 . 1 1 96 96 ILE N N 96 120.160 120.160 117.186 2.974 25137 4011 1 6 . 1 1 96 96 ILE HA H 96 3.781 3.781 3.959 -0.178 25137 4012 1 6 . 1 1 96 96 ILE C C 96 175.840 175.840 176.476 -0.636 25137 4013 1 6 . 1 1 96 96 ILE CA C 96 63.720 63.720 63.605 0.115 25137 4014 1 6 . 1 1 96 96 ILE CB C 96 38.670 38.670 38.699 -0.029 25137 4015 1 6 . 1 1 96 96 ILE H H 96 7.980 7.980 8.134 -0.154 25137 4016 1 6 . 1 1 97 97 ASP N N 97 120.510 120.510 120.788 -0.278 25137 4017 1 6 . 1 1 97 97 ASP HA H 97 4.380 4.380 4.283 0.097 25137 4018 1 6 . 1 1 97 97 ASP C C 97 173.580 173.580 173.980 -0.400 25137 4019 1 6 . 1 1 97 97 ASP CA C 97 54.300 54.300 55.189 -0.889 25137 4020 1 6 . 1 1 97 97 ASP CB C 97 39.490 39.490 40.327 -0.837 25137 4021 1 6 . 1 1 97 97 ASP H H 97 8.160 8.160 8.249 -0.089 25137 4022 1 6 . 1 1 98 98 ALA N N 98 123.800 123.800 123.193 0.607 25137 4023 1 6 . 1 1 98 98 ALA HA H 98 4.550 4.550 4.564 -0.014 25137 4024 1 6 . 1 1 98 98 ALA CA C 98 49.860 49.860 50.828 -0.968 25137 4025 1 6 . 1 1 98 98 ALA CB C 98 21.070 21.070 20.231 0.839 25137 4026 1 6 . 1 1 98 98 ALA H H 98 7.680 7.680 8.006 -0.326 25137 4027 1 6 . 1 1 99 99 PRO HA H 99 4.370 4.370 4.489 -0.119 25137 4028 1 6 . 1 1 99 99 PRO C C 99 174.760 174.760 175.434 -0.674 25137 4029 1 6 . 1 1 99 99 PRO CA C 99 62.950 62.950 63.499 -0.549 25137 4030 1 6 . 1 1 99 99 PRO CB C 99 32.310 32.310 32.135 0.175 25137 4031 1 6 . 1 1 100 100 VAL N N 100 120.490 120.490 122.242 -1.752 25137 4032 1 6 . 1 1 100 100 VAL HA H 100 4.832 4.832 4.840 -0.008 25137 4033 1 6 . 1 1 100 100 VAL C C 100 176.650 176.650 175.480 1.170 25137 4034 1 6 . 1 1 100 100 VAL CA C 100 60.450 60.450 61.213 -0.763 25137 4035 1 6 . 1 1 100 100 VAL CB C 100 34.830 34.830 34.294 0.536 25137 4036 1 6 . 1 1 100 100 VAL H H 100 8.270 8.270 8.251 0.019 25137 4037 1 6 . 1 1 101 101 MET N N 101 127.420 127.420 126.897 0.523 25137 4038 1 6 . 1 1 101 101 MET HA H 101 4.705 4.705 4.755 -0.050 25137 4039 1 6 . 1 1 101 101 MET C C 101 174.490 174.490 174.971 -0.481 25137 4040 1 6 . 1 1 101 101 MET CA C 101 54.730 54.730 53.307 1.423 25137 4041 1 6 . 1 1 101 101 MET CB C 101 34.560 34.560 32.617 1.943 25137 4042 1 6 . 1 1 101 101 MET H H 101 9.240 9.240 9.064 0.176 25137 4043 1 6 . 1 1 102 102 ALA N N 102 128.590 128.590 129.083 -0.493 25137 4044 1 6 . 1 1 102 102 ALA HA H 102 4.608 4.608 5.081 -0.473 25137 4045 1 6 . 1 1 102 102 ALA C C 102 177.935 177.935 176.856 1.079 25137 4046 1 6 . 1 1 102 102 ALA CA C 102 51.930 51.930 51.338 0.592 25137 4047 1 6 . 1 1 102 102 ALA CB C 102 19.040 19.040 20.141 -1.101 25137 4048 1 6 . 1 1 102 102 ALA H H 102 8.760 8.760 8.543 0.217 25137 4049 1 6 . 1 1 103 103 LYS N N 103 120.200 120.200 123.093 -2.893 25137 4050 1 6 . 1 1 103 103 LYS HA H 103 4.284 4.284 4.898 -0.614 25137 4051 1 6 . 1 1 103 103 LYS CA C 103 54.370 54.370 54.170 0.199 25137 4052 1 6 . 1 1 103 103 LYS CB C 103 34.190 34.190 32.333 1.857 25137 4053 1 6 . 1 1 103 103 LYS H H 103 7.300 7.300 8.063 -0.763 25137 4054 1 6 . 1 1 104 104 PRO HA H 104 4.611 4.611 4.474 0.137 25137 4055 1 6 . 1 1 104 104 PRO C C 104 174.980 174.980 175.484 -0.504 25137 4056 1 6 . 1 1 104 104 PRO CA C 104 62.626 62.626 62.719 -0.093 25137 4057 1 6 . 1 1 104 104 PRO CB C 104 33.867 33.867 32.216 1.651 25137 4058 1 6 . 1 1 105 105 ALA N N 105 125.082 125.082 125.338 -0.256 25137 4059 1 6 . 1 1 105 105 ALA HA H 105 4.576 4.576 4.443 0.133 25137 4060 1 6 . 1 1 105 105 ALA C C 105 176.890 176.890 176.154 0.736 25137 4061 1 6 . 1 1 105 105 ALA CA C 105 51.177 51.177 51.157 0.020 25137 4062 1 6 . 1 1 105 105 ALA CB C 105 21.735 21.735 22.037 -0.302 25137 4063 1 6 . 1 1 105 105 ALA H H 105 8.668 8.668 8.251 0.417 25137 4064 1 6 . 1 1 106 106 ASP N N 106 122.306 122.306 123.708 -1.402 25137 4065 1 6 . 1 1 106 106 ASP HA H 106 4.636 4.636 4.719 -0.083 25137 4066 1 6 . 1 1 106 106 ASP C C 106 178.383 178.383 177.435 0.948 25137 4067 1 6 . 1 1 106 106 ASP CA C 106 54.312 54.312 53.811 0.501 25137 4068 1 6 . 1 1 106 106 ASP CB C 106 41.260 41.260 43.116 -1.856 25137 4069 1 6 . 1 1 106 106 ASP H H 106 8.867 8.867 8.647 0.220 25137 4070 1 6 . 1 1 107 107 THR N N 107 119.540 119.540 117.490 2.050 25137 4071 1 6 . 1 1 107 107 THR HA H 107 3.573 3.573 3.990 -0.417 25137 4072 1 6 . 1 1 107 107 THR C C 107 176.393 176.393 176.459 -0.066 25137 4073 1 6 . 1 1 107 107 THR CA C 107 65.940 65.940 64.608 1.332 25137 4074 1 6 . 1 1 107 107 THR CB C 107 68.191 68.191 68.822 -0.631 25137 4075 1 6 . 1 1 107 107 THR H H 107 8.658 8.658 8.588 0.070 25137 4076 1 6 . 1 1 108 108 SER N N 108 117.095 117.095 116.524 0.571 25137 4077 1 6 . 1 1 108 108 SER HA H 108 4.140 4.140 4.078 0.062 25137 4078 1 6 . 1 1 108 108 SER C C 108 176.143 176.143 175.757 0.386 25137 4079 1 6 . 1 1 108 108 SER CA C 108 61.650 61.650 62.056 -0.406 25137 4080 1 6 . 1 1 108 108 SER CB C 108 62.450 62.450 62.560 -0.110 25137 4081 1 6 . 1 1 108 108 SER H H 108 8.480 8.480 8.770 -0.290 25137 4082 1 6 . 1 1 109 109 ASP N N 109 122.520 122.520 123.864 -1.344 25137 4083 1 6 . 1 1 109 109 ASP HA H 109 4.400 4.400 4.475 -0.075 25137 4084 1 6 . 1 1 109 109 ASP C C 109 178.499 178.499 178.385 0.114 25137 4085 1 6 . 1 1 109 109 ASP CA C 109 56.990 56.990 57.040 -0.050 25137 4086 1 6 . 1 1 109 109 ASP CB C 109 40.560 40.560 40.456 0.104 25137 4087 1 6 . 1 1 109 109 ASP H H 109 7.350 7.350 7.661 -0.311 25137 4088 1 6 . 1 1 110 110 VAL N N 110 120.210 120.210 120.225 -0.015 25137 4089 1 6 . 1 1 110 110 VAL HA H 110 3.262 3.262 3.542 -0.280 25137 4090 1 6 . 1 1 110 110 VAL C C 110 176.535 176.535 177.677 -1.142 25137 4091 1 6 . 1 1 110 110 VAL CA C 110 66.090 66.090 66.591 -0.501 25137 4092 1 6 . 1 1 110 110 VAL CB C 110 31.400 31.400 31.137 0.263 25137 4093 1 6 . 1 1 110 110 VAL H H 110 7.440 7.440 7.985 -0.545 25137 4094 1 6 . 1 1 111 111 ALA N N 111 118.790 118.790 121.328 -2.538 25137 4095 1 6 . 1 1 111 111 ALA HA H 111 3.264 3.264 2.524 0.740 25137 4096 1 6 . 1 1 111 111 ALA C C 111 179.030 179.030 179.228 -0.198 25137 4097 1 6 . 1 1 111 111 ALA CA C 111 54.590 54.590 54.670 -0.080 25137 4098 1 6 . 1 1 111 111 ALA CB C 111 16.480 16.480 17.368 -0.888 25137 4099 1 6 . 1 1 111 111 ALA H H 111 7.610 7.610 7.857 -0.247 25137 4100 1 6 . 1 1 112 112 LYS N N 112 115.540 115.540 118.369 -2.829 25137 4101 1 6 . 1 1 112 112 LYS HA H 112 3.750 3.750 3.855 -0.105 25137 4102 1 6 . 1 1 112 112 LYS C C 112 179.470 179.470 179.198 0.272 25137 4103 1 6 . 1 1 112 112 LYS CA C 112 60.020 60.020 59.720 0.300 25137 4104 1 6 . 1 1 112 112 LYS CB C 112 32.680 32.680 32.264 0.416 25137 4105 1 6 . 1 1 112 112 LYS H H 112 7.840 7.840 7.779 0.061 25137 4106 1 6 . 1 1 113 113 ARG N N 113 118.590 118.590 118.159 0.431 25137 4107 1 6 . 1 1 113 113 ARG HA H 113 4.021 4.021 4.058 -0.037 25137 4108 1 6 . 1 1 113 113 ARG C C 113 179.120 179.120 178.798 0.322 25137 4109 1 6 . 1 1 113 113 ARG CA C 113 58.180 58.180 58.276 -0.096 25137 4110 1 6 . 1 1 113 113 ARG CB C 113 29.530 29.530 29.416 0.114 25137 4111 1 6 . 1 1 113 113 ARG H H 113 7.860 7.860 8.088 -0.228 25137 4112 1 6 . 1 1 114 114 ALA N N 114 120.520 120.520 121.837 -1.317 25137 4113 1 6 . 1 1 114 114 ALA HA H 114 4.046 4.046 4.228 -0.182 25137 4114 1 6 . 1 1 114 114 ALA C C 114 179.280 179.280 180.109 -0.829 25137 4115 1 6 . 1 1 114 114 ALA CA C 114 55.070 55.070 54.797 0.273 25137 4116 1 6 . 1 1 114 114 ALA CB C 114 17.920 17.920 18.794 -0.874 25137 4117 1 6 . 1 1 114 114 ALA H H 114 8.190 8.190 7.723 0.467 25137 4118 1 6 . 1 1 115 115 LEU N N 115 115.820 115.820 119.000 -3.180 25137 4119 1 6 . 1 1 115 115 LEU HA H 115 4.225 4.225 4.037 0.189 25137 4120 1 6 . 1 1 115 115 LEU C C 115 180.490 180.490 179.050 1.440 25137 4121 1 6 . 1 1 115 115 LEU CA C 115 57.600 57.600 57.544 0.056 25137 4122 1 6 . 1 1 115 115 LEU CB C 115 40.590 40.590 41.466 -0.876 25137 4123 1 6 . 1 1 115 115 LEU H H 115 8.320 8.320 8.424 -0.104 25137 4124 1 6 . 1 1 116 116 GLU N N 116 119.789 119.789 118.226 1.563 25137 4125 1 6 . 1 1 116 116 GLU HA H 116 4.109 4.109 4.078 0.031 25137 4126 1 6 . 1 1 116 116 GLU C C 116 178.790 178.790 177.534 1.256 25137 4127 1 6 . 1 1 116 116 GLU CA C 116 58.625 58.625 58.955 -0.330 25137 4128 1 6 . 1 1 116 116 GLU CB C 116 29.548 29.548 29.341 0.207 25137 4129 1 6 . 1 1 116 116 GLU H H 116 7.904 7.904 8.180 -0.276 25137 4130 1 6 . 1 1 117 117 MET N N 117 116.426 116.426 113.469 2.957 25137 4131 1 6 . 1 1 117 117 MET HA H 117 4.245 4.245 4.397 -0.152 25137 4132 1 6 . 1 1 117 117 MET C C 117 176.890 176.890 176.848 0.042 25137 4133 1 6 . 1 1 117 117 MET CA C 117 57.638 57.638 56.361 1.278 25137 4134 1 6 . 1 1 117 117 MET CB C 117 33.467 33.467 32.936 0.531 25137 4135 1 6 . 1 1 117 117 MET H H 117 7.712 7.712 7.691 0.021 25137 4136 1 6 . 1 1 118 118 CYS N N 118 113.993 113.993 118.609 -4.616 25137 4137 1 6 . 1 1 118 118 CYS HA H 118 4.699 4.699 4.655 0.044 25137 4138 1 6 . 1 1 118 118 CYS C C 118 174.750 174.750 175.195 -0.445 25137 4139 1 6 . 1 1 118 118 CYS CA C 118 58.541 58.541 58.739 -0.197 25137 4140 1 6 . 1 1 118 118 CYS CB C 118 28.552 28.552 31.210 -2.659 25137 4141 1 6 . 1 1 118 118 CYS H H 118 7.428 7.428 7.910 -0.482 25137 4142 1 6 . 1 1 119 119 GLY N N 119 109.823 109.823 109.589 0.234 25137 4143 1 6 . 1 1 119 119 GLY C C 119 174.660 174.660 174.669 -0.009 25137 4144 1 6 . 1 1 119 119 GLY CA C 119 45.709 45.709 46.123 -0.415 25137 4145 1 6 . 1 1 119 119 GLY H H 119 8.056 8.056 8.576 -0.520 25137 4146 1 6 . 1 1 120 120 GLY N N 120 108.821 108.821 117.058 -8.237 25137 4147 1 6 . 1 1 120 120 GLY C C 120 173.790 173.790 173.846 -0.056 25137 4148 1 6 . 1 1 120 120 GLY CA C 120 45.326 45.326 44.700 0.626 25137 4149 1 6 . 1 1 120 120 GLY H H 120 8.301 8.301 7.992 0.309 25137 4150 1 6 . 1 1 121 121 ASP N N 121 120.383 120.383 121.294 -0.911 25137 4151 1 6 . 1 1 121 121 ASP HA H 121 4.591 4.591 4.331 0.260 25137 4152 1 6 . 1 1 121 121 ASP C C 121 176.160 176.160 175.164 0.996 25137 4153 1 6 . 1 1 121 121 ASP CA C 121 54.313 54.313 55.242 -0.929 25137 4154 1 6 . 1 1 121 121 ASP CB C 121 41.079 41.079 41.352 -0.273 25137 4155 1 6 . 1 1 121 121 ASP H H 121 8.438 8.438 8.174 0.264 25137 4156 1 6 . 1 1 122 122 LYS N N 122 121.450 121.450 120.294 1.156 25137 4157 1 6 . 1 1 122 122 LYS HA H 122 4.350 4.350 4.581 -0.231 25137 4158 1 6 . 1 1 122 122 LYS C C 122 177.184 177.184 175.487 1.697 25137 4159 1 6 . 1 1 122 122 LYS CA C 122 55.890 55.890 55.379 0.511 25137 4160 1 6 . 1 1 122 122 LYS CB C 122 33.190 33.190 33.117 0.073 25137 4161 1 6 . 1 1 122 122 LYS H H 122 8.258 8.258 8.271 -0.013 25137 4162 1 6 . 1 1 123 123 GLU N N 123 123.560 123.560 126.345 -2.785 25137 4163 1 6 . 1 1 123 123 GLU HA H 123 4.550 4.550 4.446 0.104 25137 4164 1 6 . 1 1 123 123 GLU CA C 123 54.470 54.470 54.393 0.077 25137 4165 1 6 . 1 1 123 123 GLU CB C 123 29.640 29.640 30.024 -0.384 25137 4166 1 6 . 1 1 123 123 GLU H H 123 8.420 8.420 8.548 -0.128 25137 4167 1 6 . 1 1 124 124 PRO HA H 124 4.384 4.384 4.517 -0.133 25137 4168 1 6 . 1 1 124 124 PRO C C 124 175.770 175.770 176.142 -0.372 25137 4169 1 6 . 1 1 124 124 PRO CA C 124 63.350 63.350 62.539 0.811 25137 4170 1 6 . 1 1 124 124 PRO CB C 124 32.300 32.300 32.390 -0.090 25137 4171 1 7 . 1 1 2 2 ALA N N 2 123.423 123.423 126.080 -2.657 25137 4172 1 7 . 1 1 2 2 ALA HA H 2 4.357 4.357 4.630 -0.273 25137 4173 1 7 . 1 1 2 2 ALA C C 2 177.811 177.811 177.587 0.224 25137 4174 1 7 . 1 1 2 2 ALA CA C 2 52.652 52.652 51.675 0.977 25137 4175 1 7 . 1 1 2 2 ALA CB C 2 19.488 19.488 19.559 -0.071 25137 4176 1 7 . 1 1 2 2 ALA H H 2 7.983 7.983 8.247 -0.264 25137 4177 1 7 . 1 1 3 3 MET N N 3 119.390 119.390 122.597 -3.207 25137 4178 1 7 . 1 1 3 3 MET HA H 3 4.482 4.482 4.446 0.036 25137 4179 1 7 . 1 1 3 3 MET C C 3 176.569 176.569 176.926 -0.357 25137 4180 1 7 . 1 1 3 3 MET CA C 3 55.570 55.570 55.237 0.333 25137 4181 1 7 . 1 1 3 3 MET CB C 3 32.900 32.900 33.066 -0.167 25137 4182 1 7 . 1 1 3 3 MET H H 3 8.570 8.570 8.614 -0.044 25137 4183 1 7 . 1 1 4 4 GLY N N 4 110.130 110.130 113.406 -3.276 25137 4184 1 7 . 1 1 4 4 GLY C C 4 173.630 173.630 173.884 -0.254 25137 4185 1 7 . 1 1 4 4 GLY CA C 4 45.270 45.270 44.444 0.826 25137 4186 1 7 . 1 1 4 4 GLY H H 4 8.370 8.370 8.654 -0.284 25137 4187 1 7 . 1 1 5 5 MET N N 5 121.570 121.570 124.070 -2.500 25137 4188 1 7 . 1 1 5 5 MET HA H 5 4.780 4.780 5.027 -0.247 25137 4189 1 7 . 1 1 5 5 MET CA C 5 53.630 53.630 53.474 0.156 25137 4190 1 7 . 1 1 5 5 MET CB C 5 33.140 33.140 32.701 0.439 25137 4191 1 7 . 1 1 5 5 MET H H 5 8.210 8.210 7.770 0.440 25137 4192 1 7 . 1 1 6 6 PRO HA H 6 4.505 4.505 4.635 -0.130 25137 4193 1 7 . 1 1 6 6 PRO C C 6 174.520 174.520 175.621 -1.101 25137 4194 1 7 . 1 1 6 6 PRO CA C 6 62.980 62.980 62.530 0.450 25137 4195 1 7 . 1 1 6 6 PRO CB C 6 32.400 32.400 32.560 -0.160 25137 4196 1 7 . 1 1 7 7 LYS N N 7 123.443 123.443 125.039 -1.596 25137 4197 1 7 . 1 1 7 7 LYS HA H 7 5.000 5.000 4.531 0.469 25137 4198 1 7 . 1 1 7 7 LYS C C 7 175.920 175.920 175.813 0.107 25137 4199 1 7 . 1 1 7 7 LYS CA C 7 54.911 54.911 55.397 -0.486 25137 4200 1 7 . 1 1 7 7 LYS CB C 7 33.635 33.635 32.408 1.227 25137 4201 1 7 . 1 1 7 7 LYS H H 7 9.675 9.675 9.172 0.503 25137 4202 1 7 . 1 1 8 8 VAL N N 8 125.859 125.859 127.266 -1.407 25137 4203 1 7 . 1 1 8 8 VAL HA H 8 4.723 4.723 4.921 -0.198 25137 4204 1 7 . 1 1 8 8 VAL C C 8 174.630 174.630 174.152 0.478 25137 4205 1 7 . 1 1 8 8 VAL CA C 8 59.726 59.726 60.407 -0.681 25137 4206 1 7 . 1 1 8 8 VAL CB C 8 34.991 34.991 32.945 2.046 25137 4207 1 7 . 1 1 8 8 VAL H H 8 8.851 8.851 9.065 -0.214 25137 4208 1 7 . 1 1 9 9 LEU N N 9 127.114 127.114 130.197 -3.083 25137 4209 1 7 . 1 1 9 9 LEU HA H 9 5.190 5.190 4.845 0.345 25137 4210 1 7 . 1 1 9 9 LEU C C 9 174.090 174.090 174.618 -0.528 25137 4211 1 7 . 1 1 9 9 LEU CA C 9 53.090 53.090 53.083 0.007 25137 4212 1 7 . 1 1 9 9 LEU CB C 9 45.007 45.007 43.820 1.187 25137 4213 1 7 . 1 1 9 9 LEU H H 9 7.881 7.881 8.739 -0.858 25137 4214 1 7 . 1 1 10 10 VAL N N 10 128.024 128.024 128.420 -0.396 25137 4215 1 7 . 1 1 10 10 VAL HA H 10 4.647 4.647 4.392 0.255 25137 4216 1 7 . 1 1 10 10 VAL C C 10 172.900 172.900 174.164 -1.264 25137 4217 1 7 . 1 1 10 10 VAL CA C 10 61.206 61.206 62.413 -1.207 25137 4218 1 7 . 1 1 10 10 VAL CB C 10 34.541 34.541 32.895 1.647 25137 4219 1 7 . 1 1 10 10 VAL H H 10 8.952 8.952 9.217 -0.265 25137 4220 1 7 . 1 1 11 11 LEU N N 11 128.979 128.979 129.908 -0.929 25137 4221 1 7 . 1 1 11 11 LEU HA H 11 5.504 5.504 5.427 0.077 25137 4222 1 7 . 1 1 11 11 LEU C C 11 174.450 174.450 175.354 -0.904 25137 4223 1 7 . 1 1 11 11 LEU CA C 11 52.328 52.328 53.030 -0.702 25137 4224 1 7 . 1 1 11 11 LEU CB C 11 45.000 45.000 41.660 3.340 25137 4225 1 7 . 1 1 11 11 LEU H H 11 8.433 8.433 9.241 -0.808 25137 4226 1 7 . 1 1 12 12 GLU N N 12 128.158 128.158 124.760 3.398 25137 4227 1 7 . 1 1 12 12 GLU HA H 12 4.294 4.294 4.546 -0.252 25137 4228 1 7 . 1 1 12 12 GLU C C 12 173.120 173.120 174.510 -1.390 25137 4229 1 7 . 1 1 12 12 GLU CA C 12 56.964 56.964 56.177 0.787 25137 4230 1 7 . 1 1 12 12 GLU CB C 12 32.201 32.201 33.005 -0.804 25137 4231 1 7 . 1 1 12 12 GLU H H 12 8.532 8.532 8.478 0.054 25137 4232 1 7 . 1 1 13 13 ASP N N 13 123.077 123.077 126.237 -3.160 25137 4233 1 7 . 1 1 13 13 ASP HA H 13 4.659 4.659 4.595 0.064 25137 4234 1 7 . 1 1 13 13 ASP C C 13 176.090 176.090 176.873 -0.783 25137 4235 1 7 . 1 1 13 13 ASP CA C 13 55.140 55.140 54.982 0.158 25137 4236 1 7 . 1 1 13 13 ASP CB C 13 40.524 40.524 41.669 -1.145 25137 4237 1 7 . 1 1 13 13 ASP H H 13 8.803 8.803 8.813 -0.010 25137 4238 1 7 . 1 1 14 14 GLU N N 14 126.685 126.685 120.541 6.144 25137 4239 1 7 . 1 1 14 14 GLU HA H 14 4.809 4.809 4.626 0.183 25137 4240 1 7 . 1 1 14 14 GLU CA C 14 54.574 54.574 54.156 0.418 25137 4241 1 7 . 1 1 14 14 GLU CB C 14 29.310 29.310 29.749 -0.439 25137 4242 1 7 . 1 1 14 14 GLU H H 14 10.077 10.077 8.338 1.739 25137 4243 1 7 . 1 1 15 15 PRO HA H 15 4.273 4.273 4.248 0.025 25137 4244 1 7 . 1 1 15 15 PRO C C 15 179.110 179.110 178.460 0.650 25137 4245 1 7 . 1 1 15 15 PRO CA C 15 65.472 65.472 65.619 -0.147 25137 4246 1 7 . 1 1 15 15 PRO CB C 15 32.462 32.462 31.863 0.599 25137 4247 1 7 . 1 1 16 16 LEU N N 16 118.358 118.358 119.450 -1.092 25137 4248 1 7 . 1 1 16 16 LEU HA H 16 4.131 4.131 4.136 -0.005 25137 4249 1 7 . 1 1 16 16 LEU C C 16 179.260 179.260 178.536 0.724 25137 4250 1 7 . 1 1 16 16 LEU CA C 16 58.306 58.306 57.901 0.405 25137 4251 1 7 . 1 1 16 16 LEU CB C 16 41.731 41.731 41.732 -0.001 25137 4252 1 7 . 1 1 16 16 LEU H H 16 8.851 8.851 8.117 0.734 25137 4253 1 7 . 1 1 17 17 ILE N N 17 117.680 117.680 119.131 -1.451 25137 4254 1 7 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.610 0.222 25137 4255 1 7 . 1 1 17 17 ILE C C 17 178.230 178.230 178.049 0.181 25137 4256 1 7 . 1 1 17 17 ILE CA C 17 63.344 63.344 65.152 -1.808 25137 4257 1 7 . 1 1 17 17 ILE CB C 17 36.564 36.564 37.300 -0.736 25137 4258 1 7 . 1 1 17 17 ILE H H 17 6.886 6.886 7.417 -0.531 25137 4259 1 7 . 1 1 18 18 ALA N N 18 122.321 122.321 123.213 -0.892 25137 4260 1 7 . 1 1 18 18 ALA HA H 18 3.720 3.720 3.934 -0.214 25137 4261 1 7 . 1 1 18 18 ALA C C 18 178.900 178.900 179.328 -0.428 25137 4262 1 7 . 1 1 18 18 ALA CA C 18 55.890 55.890 55.415 0.475 25137 4263 1 7 . 1 1 18 18 ALA CB C 18 18.165 18.165 18.257 -0.092 25137 4264 1 7 . 1 1 18 18 ALA H H 18 7.988 7.988 8.634 -0.646 25137 4265 1 7 . 1 1 19 19 MET N N 19 115.807 115.807 118.104 -2.297 25137 4266 1 7 . 1 1 19 19 MET HA H 19 3.999 3.999 4.025 -0.026 25137 4267 1 7 . 1 1 19 19 MET C C 19 177.180 177.180 178.302 -1.122 25137 4268 1 7 . 1 1 19 19 MET CA C 19 58.144 58.144 59.361 -1.217 25137 4269 1 7 . 1 1 19 19 MET CB C 19 32.852 32.852 32.729 0.123 25137 4270 1 7 . 1 1 19 19 MET H H 19 8.204 8.204 8.673 -0.469 25137 4271 1 7 . 1 1 20 20 ASN N N 20 117.843 117.843 118.909 -1.066 25137 4272 1 7 . 1 1 20 20 ASN HA H 20 4.545 4.545 4.681 -0.136 25137 4273 1 7 . 1 1 20 20 ASN C C 20 179.590 179.590 178.646 0.944 25137 4274 1 7 . 1 1 20 20 ASN CA C 20 56.222 56.222 56.391 -0.169 25137 4275 1 7 . 1 1 20 20 ASN CB C 20 38.005 38.005 38.386 -0.381 25137 4276 1 7 . 1 1 20 20 ASN H H 20 7.839 7.839 8.302 -0.463 25137 4277 1 7 . 1 1 21 21 LEU N N 21 121.749 121.749 122.345 -0.596 25137 4278 1 7 . 1 1 21 21 LEU HA H 21 4.055 4.055 4.077 -0.022 25137 4279 1 7 . 1 1 21 21 LEU C C 21 177.750 177.750 178.471 -0.721 25137 4280 1 7 . 1 1 21 21 LEU CA C 21 58.268 58.268 58.471 -0.203 25137 4281 1 7 . 1 1 21 21 LEU CB C 21 42.605 42.605 41.906 0.699 25137 4282 1 7 . 1 1 21 21 LEU H H 21 8.601 8.601 8.784 -0.183 25137 4283 1 7 . 1 1 22 22 GLN N N 22 120.991 120.991 119.756 1.235 25137 4284 1 7 . 1 1 22 22 GLN HA H 22 3.935 3.935 3.993 -0.058 25137 4285 1 7 . 1 1 22 22 GLN C C 22 178.070 178.070 178.529 -0.459 25137 4286 1 7 . 1 1 22 22 GLN CA C 22 60.463 60.463 59.527 0.936 25137 4287 1 7 . 1 1 22 22 GLN CB C 22 26.902 26.902 28.628 -1.726 25137 4288 1 7 . 1 1 22 22 GLN H H 22 8.749 8.749 8.292 0.457 25137 4289 1 7 . 1 1 23 23 TYR N N 23 117.446 117.446 118.589 -1.143 25137 4290 1 7 . 1 1 23 23 TYR HA H 23 4.517 4.517 4.469 0.048 25137 4291 1 7 . 1 1 23 23 TYR C C 23 178.210 178.210 178.302 -0.092 25137 4292 1 7 . 1 1 23 23 TYR CA C 23 59.425 59.425 60.926 -1.501 25137 4293 1 7 . 1 1 23 23 TYR CB C 23 36.975 36.975 38.041 -1.066 25137 4294 1 7 . 1 1 23 23 TYR H H 23 8.450 8.450 8.716 -0.266 25137 4295 1 7 . 1 1 24 24 ALA N N 24 121.627 121.627 123.288 -1.661 25137 4296 1 7 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.045 0.055 25137 4297 1 7 . 1 1 24 24 ALA C C 24 180.910 180.910 179.142 1.768 25137 4298 1 7 . 1 1 24 24 ALA CA C 24 55.060 55.060 54.853 0.207 25137 4299 1 7 . 1 1 24 24 ALA CB C 24 18.070 18.070 18.057 0.013 25137 4300 1 7 . 1 1 24 24 ALA H H 24 7.765 7.765 7.865 -0.100 25137 4301 1 7 . 1 1 25 25 PHE N N 25 115.589 115.589 117.955 -2.366 25137 4302 1 7 . 1 1 25 25 PHE HA H 25 3.940 3.940 4.127 -0.187 25137 4303 1 7 . 1 1 25 25 PHE C C 25 179.090 179.090 178.432 0.658 25137 4304 1 7 . 1 1 25 25 PHE CA C 25 63.453 63.453 62.482 0.971 25137 4305 1 7 . 1 1 25 25 PHE CB C 25 39.484 39.484 38.919 0.565 25137 4306 1 7 . 1 1 25 25 PHE H H 25 8.348 8.348 8.594 -0.246 25137 4307 1 7 . 1 1 26 26 GLU N N 26 121.198 121.198 119.402 1.796 25137 4308 1 7 . 1 1 26 26 GLU HA H 26 4.429 4.429 4.345 0.084 25137 4309 1 7 . 1 1 26 26 GLU C C 26 181.680 181.680 179.481 2.199 25137 4310 1 7 . 1 1 26 26 GLU CA C 26 59.737 59.737 58.806 0.931 25137 4311 1 7 . 1 1 26 26 GLU CB C 26 28.925 28.925 29.384 -0.459 25137 4312 1 7 . 1 1 26 26 GLU H H 26 8.822 8.822 8.628 0.194 25137 4313 1 7 . 1 1 27 27 ASP N N 27 121.846 121.846 120.094 1.752 25137 4314 1 7 . 1 1 27 27 ASP HA H 27 4.468 4.468 4.491 -0.023 25137 4315 1 7 . 1 1 27 27 ASP C C 27 177.880 177.880 177.646 0.234 25137 4316 1 7 . 1 1 27 27 ASP CA C 27 56.996 56.996 56.666 0.330 25137 4317 1 7 . 1 1 27 27 ASP CB C 27 40.640 40.640 40.995 -0.355 25137 4318 1 7 . 1 1 27 27 ASP H H 27 8.424 8.424 7.847 0.577 25137 4319 1 7 . 1 1 28 28 GLU N N 28 115.759 115.759 116.758 -0.999 25137 4320 1 7 . 1 1 28 28 GLU HA H 28 4.331 4.331 4.446 -0.115 25137 4321 1 7 . 1 1 28 28 GLU C C 28 176.460 176.460 176.842 -0.382 25137 4322 1 7 . 1 1 28 28 GLU CA C 28 55.395 55.395 55.704 -0.309 25137 4323 1 7 . 1 1 28 28 GLU CB C 28 30.264 30.264 29.799 0.465 25137 4324 1 7 . 1 1 28 28 GLU H H 28 7.170 7.170 7.588 -0.418 25137 4325 1 7 . 1 1 29 29 GLY N N 29 106.899 106.899 107.776 -0.877 25137 4326 1 7 . 1 1 29 29 GLY C C 29 173.160 173.160 172.970 0.190 25137 4327 1 7 . 1 1 29 29 GLY CA C 29 45.589 45.589 45.491 0.098 25137 4328 1 7 . 1 1 29 29 GLY H H 29 7.889 7.889 7.950 -0.061 25137 4329 1 7 . 1 1 30 30 ALA N N 30 121.007 121.007 120.947 0.060 25137 4330 1 7 . 1 1 30 30 ALA HA H 30 4.680 4.680 5.116 -0.436 25137 4331 1 7 . 1 1 30 30 ALA C C 30 175.880 175.880 175.326 0.554 25137 4332 1 7 . 1 1 30 30 ALA CA C 30 50.666 50.666 50.673 -0.007 25137 4333 1 7 . 1 1 30 30 ALA CB C 30 21.882 21.882 22.328 -0.446 25137 4334 1 7 . 1 1 30 30 ALA H H 30 7.743 7.743 7.597 0.146 25137 4335 1 7 . 1 1 31 31 GLU N N 31 120.065 120.065 119.075 0.990 25137 4336 1 7 . 1 1 31 31 GLU HA H 31 4.664 4.664 4.724 -0.060 25137 4337 1 7 . 1 1 31 31 GLU C C 31 175.430 175.430 174.942 0.488 25137 4338 1 7 . 1 1 31 31 GLU CA C 31 55.136 55.136 54.125 1.011 25137 4339 1 7 . 1 1 31 31 GLU CB C 31 32.126 32.126 32.155 -0.029 25137 4340 1 7 . 1 1 31 31 GLU H H 31 8.595 8.595 8.455 0.140 25137 4341 1 7 . 1 1 32 32 VAL N N 32 123.414 123.414 123.443 -0.029 25137 4342 1 7 . 1 1 32 32 VAL HA H 32 4.787 4.787 4.816 -0.029 25137 4343 1 7 . 1 1 32 32 VAL C C 32 175.290 175.290 175.629 -0.339 25137 4344 1 7 . 1 1 32 32 VAL CA C 32 60.802 60.802 60.176 0.626 25137 4345 1 7 . 1 1 32 32 VAL CB C 32 34.991 34.991 34.524 0.467 25137 4346 1 7 . 1 1 32 32 VAL H H 32 8.872 8.872 8.373 0.499 25137 4347 1 7 . 1 1 33 33 VAL N N 33 128.158 128.158 126.478 1.680 25137 4348 1 7 . 1 1 33 33 VAL HA H 33 4.226 4.226 4.378 -0.152 25137 4349 1 7 . 1 1 33 33 VAL C C 33 173.830 173.830 174.670 -0.840 25137 4350 1 7 . 1 1 33 33 VAL CA C 33 60.990 60.990 60.871 0.119 25137 4351 1 7 . 1 1 33 33 VAL CB C 33 33.736 33.736 34.161 -0.425 25137 4352 1 7 . 1 1 33 33 VAL H H 33 9.042 9.042 9.049 -0.007 25137 4353 1 7 . 1 1 34 34 VAL N N 34 126.239 126.239 127.491 -1.252 25137 4354 1 7 . 1 1 34 34 VAL HA H 34 4.751 4.751 4.208 0.543 25137 4355 1 7 . 1 1 34 34 VAL C C 34 175.100 175.100 175.051 0.049 25137 4356 1 7 . 1 1 34 34 VAL CA C 34 61.389 61.389 61.875 -0.486 25137 4357 1 7 . 1 1 34 34 VAL CB C 34 33.193 33.193 32.155 1.038 25137 4358 1 7 . 1 1 34 34 VAL H H 34 8.522 8.522 8.578 -0.056 25137 4359 1 7 . 1 1 35 35 ALA N N 35 129.955 129.955 130.150 -0.195 25137 4360 1 7 . 1 1 35 35 ALA HA H 35 4.682 4.682 4.764 -0.082 25137 4361 1 7 . 1 1 35 35 ALA C C 35 174.380 174.380 175.603 -1.223 25137 4362 1 7 . 1 1 35 35 ALA CA C 35 50.154 50.154 50.678 -0.524 25137 4363 1 7 . 1 1 35 35 ALA CB C 35 22.922 22.922 22.439 0.483 25137 4364 1 7 . 1 1 35 35 ALA H H 35 9.388 9.388 8.926 0.462 25137 4365 1 7 . 1 1 36 36 ALA N N 36 121.011 121.011 124.988 -3.977 25137 4366 1 7 . 1 1 36 36 ALA HA H 36 4.632 4.632 4.682 -0.050 25137 4367 1 7 . 1 1 36 36 ALA C C 36 176.490 176.490 177.060 -0.570 25137 4368 1 7 . 1 1 36 36 ALA CA C 36 51.778 51.778 52.427 -0.649 25137 4369 1 7 . 1 1 36 36 ALA CB C 36 21.506 21.506 20.292 1.214 25137 4370 1 7 . 1 1 36 36 ALA H H 36 8.539 8.539 8.914 -0.375 25137 4371 1 7 . 1 1 37 37 THR N N 37 102.880 102.880 109.156 -6.276 25137 4372 1 7 . 1 1 37 37 THR HA H 37 4.620 4.620 4.602 0.018 25137 4373 1 7 . 1 1 37 37 THR C C 37 174.710 174.710 176.012 -1.302 25137 4374 1 7 . 1 1 37 37 THR CA C 37 57.520 57.520 59.806 -2.286 25137 4375 1 7 . 1 1 37 37 THR CB C 37 72.972 72.972 71.535 1.437 25137 4376 1 7 . 1 1 37 37 THR H H 37 7.019 7.019 7.835 -0.816 25137 4377 1 7 . 1 1 38 38 CYS N N 38 120.553 120.553 119.334 1.219 25137 4378 1 7 . 1 1 38 38 CYS HA H 38 3.677 3.677 4.164 -0.487 25137 4379 1 7 . 1 1 38 38 CYS C C 38 176.020 176.020 176.913 -0.893 25137 4380 1 7 . 1 1 38 38 CYS CA C 38 63.179 63.179 62.310 0.869 25137 4381 1 7 . 1 1 38 38 CYS CB C 38 26.317 26.317 27.460 -1.143 25137 4382 1 7 . 1 1 38 38 CYS H H 38 9.398 9.398 8.782 0.616 25137 4383 1 7 . 1 1 39 39 GLU N N 39 118.521 118.521 121.636 -3.115 25137 4384 1 7 . 1 1 39 39 GLU HA H 39 3.829 3.829 3.934 -0.105 25137 4385 1 7 . 1 1 39 39 GLU C C 39 179.470 179.470 179.076 0.394 25137 4386 1 7 . 1 1 39 39 GLU CA C 39 60.594 60.594 59.981 0.613 25137 4387 1 7 . 1 1 39 39 GLU CB C 39 28.963 28.963 29.247 -0.284 25137 4388 1 7 . 1 1 39 39 GLU H H 39 8.960 8.960 8.531 0.429 25137 4389 1 7 . 1 1 40 40 GLN N N 40 118.602 118.602 118.589 0.013 25137 4390 1 7 . 1 1 40 40 GLN HA H 40 4.021 4.021 3.981 0.040 25137 4391 1 7 . 1 1 40 40 GLN C C 40 176.211 176.211 178.391 -2.180 25137 4392 1 7 . 1 1 40 40 GLN CA C 40 58.306 58.306 58.728 -0.422 25137 4393 1 7 . 1 1 40 40 GLN CB C 40 28.925 28.925 28.479 0.446 25137 4394 1 7 . 1 1 40 40 GLN H H 40 7.855 7.855 8.260 -0.405 25137 4395 1 7 . 1 1 41 41 ALA N N 41 122.395 122.395 123.095 -0.700 25137 4396 1 7 . 1 1 41 41 ALA HA H 41 3.735 3.735 3.948 -0.213 25137 4397 1 7 . 1 1 41 41 ALA C C 41 178.440 178.440 179.590 -1.150 25137 4398 1 7 . 1 1 41 41 ALA CA C 41 55.178 55.178 55.236 -0.058 25137 4399 1 7 . 1 1 41 41 ALA CB C 41 19.872 19.872 18.414 1.458 25137 4400 1 7 . 1 1 41 41 ALA H H 41 8.009 8.009 7.491 0.518 25137 4401 1 7 . 1 1 42 42 LEU N N 42 116.832 116.832 117.950 -1.118 25137 4402 1 7 . 1 1 42 42 LEU HA H 42 3.875 3.875 3.856 0.019 25137 4403 1 7 . 1 1 42 42 LEU C C 42 180.080 180.080 179.213 0.867 25137 4404 1 7 . 1 1 42 42 LEU CA C 42 58.011 58.011 57.559 0.452 25137 4405 1 7 . 1 1 42 42 LEU CB C 42 40.961 40.961 41.270 -0.309 25137 4406 1 7 . 1 1 42 42 LEU H H 42 8.497 8.497 8.553 -0.056 25137 4407 1 7 . 1 1 43 43 LYS N N 43 121.087 121.087 120.044 1.043 25137 4408 1 7 . 1 1 43 43 LYS HA H 43 4.065 4.065 3.985 0.080 25137 4409 1 7 . 1 1 43 43 LYS C C 43 178.500 178.500 178.922 -0.422 25137 4410 1 7 . 1 1 43 43 LYS CA C 43 59.256 59.256 58.907 0.349 25137 4411 1 7 . 1 1 43 43 LYS CB C 43 32.295 32.295 31.941 0.354 25137 4412 1 7 . 1 1 43 43 LYS H H 43 7.593 7.593 8.067 -0.474 25137 4413 1 7 . 1 1 44 44 SER N N 44 115.150 115.150 115.525 -0.375 25137 4414 1 7 . 1 1 44 44 SER HA H 44 4.130 4.130 4.223 -0.093 25137 4415 1 7 . 1 1 44 44 SER C C 44 176.430 176.430 176.873 -0.443 25137 4416 1 7 . 1 1 44 44 SER CA C 44 62.900 62.900 61.360 1.540 25137 4417 1 7 . 1 1 44 44 SER CB C 44 62.900 62.900 63.017 -0.117 25137 4418 1 7 . 1 1 44 44 SER H H 44 8.100 8.100 8.026 0.074 25137 4419 1 7 . 1 1 45 45 LEU N N 45 120.050 120.050 122.492 -2.442 25137 4420 1 7 . 1 1 45 45 LEU HA H 45 4.121 4.121 4.101 0.020 25137 4421 1 7 . 1 1 45 45 LEU C C 45 177.260 177.260 177.471 -0.211 25137 4422 1 7 . 1 1 45 45 LEU CA C 45 56.770 56.770 57.218 -0.448 25137 4423 1 7 . 1 1 45 45 LEU CB C 45 42.389 42.389 41.772 0.617 25137 4424 1 7 . 1 1 45 45 LEU H H 45 8.050 8.050 8.341 -0.291 25137 4425 1 7 . 1 1 46 46 ALA N N 46 119.940 119.940 119.815 0.125 25137 4426 1 7 . 1 1 46 46 ALA HA H 46 4.093 4.093 4.116 -0.023 25137 4427 1 7 . 1 1 46 46 ALA C C 46 179.310 179.310 178.578 0.732 25137 4428 1 7 . 1 1 46 46 ALA CA C 46 54.126 54.126 54.082 0.044 25137 4429 1 7 . 1 1 46 46 ALA CB C 46 18.412 18.412 18.830 -0.418 25137 4430 1 7 . 1 1 46 46 ALA H H 46 7.360 7.360 7.446 -0.086 25137 4431 1 7 . 1 1 47 47 ASP N N 47 115.277 115.277 118.540 -3.263 25137 4432 1 7 . 1 1 47 47 ASP HA H 47 4.610 4.610 4.536 0.074 25137 4433 1 7 . 1 1 47 47 ASP C C 47 175.930 175.930 176.877 -0.947 25137 4434 1 7 . 1 1 47 47 ASP CA C 47 55.087 55.087 55.235 -0.148 25137 4435 1 7 . 1 1 47 47 ASP CB C 47 42.364 42.364 41.705 0.659 25137 4436 1 7 . 1 1 47 47 ASP H H 47 7.583 7.583 8.129 -0.546 25137 4437 1 7 . 1 1 48 48 ASN N N 48 116.977 116.977 116.774 0.203 25137 4438 1 7 . 1 1 48 48 ASN HA H 48 5.219 5.219 5.134 0.085 25137 4439 1 7 . 1 1 48 48 ASN CA C 48 51.096 51.096 51.094 0.002 25137 4440 1 7 . 1 1 48 48 ASN CB C 48 42.381 42.381 39.912 2.469 25137 4441 1 7 . 1 1 48 48 ASN H H 48 7.727 7.727 8.312 -0.585 25137 4442 1 7 . 1 1 49 49 PRO HA H 49 4.551 4.551 4.626 -0.075 25137 4443 1 7 . 1 1 49 49 PRO C C 49 174.890 174.890 175.439 -0.549 25137 4444 1 7 . 1 1 49 49 PRO CA C 49 62.093 62.093 62.175 -0.082 25137 4445 1 7 . 1 1 49 49 PRO CB C 49 29.940 29.940 30.846 -0.905 25137 4446 1 7 . 1 1 50 50 ILE N N 50 122.280 122.280 123.463 -1.183 25137 4447 1 7 . 1 1 50 50 ILE HA H 50 3.908 3.908 3.905 0.003 25137 4448 1 7 . 1 1 50 50 ILE C C 50 174.840 174.840 175.919 -1.079 25137 4449 1 7 . 1 1 50 50 ILE CA C 50 58.580 58.580 61.008 -2.429 25137 4450 1 7 . 1 1 50 50 ILE CB C 50 38.850 38.850 36.899 1.951 25137 4451 1 7 . 1 1 50 50 ILE H H 50 7.420 7.420 7.750 -0.330 25137 4452 1 7 . 1 1 51 51 ASP N N 51 123.770 123.770 126.687 -2.917 25137 4453 1 7 . 1 1 51 51 ASP HA H 51 4.749 4.749 4.608 0.141 25137 4454 1 7 . 1 1 51 51 ASP C C 51 175.114 175.114 175.674 -0.560 25137 4455 1 7 . 1 1 51 51 ASP CA C 51 56.930 56.930 55.995 0.935 25137 4456 1 7 . 1 1 51 51 ASP CB C 51 44.360 44.360 43.120 1.240 25137 4457 1 7 . 1 1 51 51 ASP H H 51 9.310 9.310 8.661 0.649 25137 4458 1 7 . 1 1 52 52 VAL N N 52 114.454 114.454 115.967 -1.513 25137 4459 1 7 . 1 1 52 52 VAL HA H 52 4.874 4.874 5.070 -0.196 25137 4460 1 7 . 1 1 52 52 VAL C C 52 171.129 171.129 172.994 -1.865 25137 4461 1 7 . 1 1 52 52 VAL CA C 52 59.850 59.850 59.918 -0.068 25137 4462 1 7 . 1 1 52 52 VAL CB C 52 32.980 32.980 35.095 -2.115 25137 4463 1 7 . 1 1 52 52 VAL H H 52 7.580 7.580 7.549 0.031 25137 4464 1 7 . 1 1 53 53 ALA N N 53 124.620 124.620 126.042 -1.422 25137 4465 1 7 . 1 1 53 53 ALA HA H 53 5.665 5.665 5.354 0.311 25137 4466 1 7 . 1 1 53 53 ALA C C 53 175.100 175.100 175.222 -0.122 25137 4467 1 7 . 1 1 53 53 ALA CA C 53 49.810 49.810 50.183 -0.373 25137 4468 1 7 . 1 1 53 53 ALA CB C 53 25.750 25.750 22.883 2.867 25137 4469 1 7 . 1 1 53 53 ALA H H 53 7.780 7.780 8.395 -0.615 25137 4470 1 7 . 1 1 54 54 VAL N N 54 118.950 118.950 115.950 3.000 25137 4471 1 7 . 1 1 54 54 VAL HA H 54 4.647 4.647 5.200 -0.553 25137 4472 1 7 . 1 1 54 54 VAL C C 54 174.020 174.020 174.338 -0.318 25137 4473 1 7 . 1 1 54 54 VAL CA C 54 61.580 61.580 60.752 0.828 25137 4474 1 7 . 1 1 54 54 VAL CB C 54 34.320 34.320 33.944 0.376 25137 4475 1 7 . 1 1 54 54 VAL H H 54 8.730 8.730 8.916 -0.186 25137 4476 1 7 . 1 1 55 55 LEU N N 55 124.820 124.820 128.492 -3.672 25137 4477 1 7 . 1 1 55 55 LEU HA H 55 4.953 4.953 4.674 0.279 25137 4478 1 7 . 1 1 55 55 LEU C C 55 176.110 176.110 175.432 0.678 25137 4479 1 7 . 1 1 55 55 LEU CA C 55 53.540 53.540 54.080 -0.540 25137 4480 1 7 . 1 1 55 55 LEU CB C 55 42.690 42.690 43.535 -0.845 25137 4481 1 7 . 1 1 55 55 LEU H H 55 9.240 9.240 9.301 -0.061 25137 4482 1 7 . 1 1 56 56 ASP N N 56 124.220 124.220 124.973 -0.753 25137 4483 1 7 . 1 1 56 56 ASP HA H 56 5.629 5.629 4.796 0.833 25137 4484 1 7 . 1 1 56 56 ASP C C 56 174.460 174.460 176.922 -2.462 25137 4485 1 7 . 1 1 56 56 ASP CA C 56 52.930 52.930 53.143 -0.213 25137 4486 1 7 . 1 1 56 56 ASP CB C 56 43.400 43.400 41.661 1.738 25137 4487 1 7 . 1 1 56 56 ASP H H 56 8.360 8.360 8.754 -0.394 25137 4488 1 7 . 1 1 57 57 VAL N N 57 119.581 119.581 124.239 -4.658 25137 4489 1 7 . 1 1 57 57 VAL HA H 57 4.239 4.239 3.860 0.379 25137 4490 1 7 . 1 1 57 57 VAL C C 57 175.480 175.480 175.089 0.391 25137 4491 1 7 . 1 1 57 57 VAL CA C 57 64.564 64.564 63.573 0.991 25137 4492 1 7 . 1 1 57 57 VAL CB C 57 32.520 32.520 31.407 1.113 25137 4493 1 7 . 1 1 57 57 VAL H H 57 7.022 7.022 8.189 -1.167 25137 4494 1 7 . 1 1 58 58 ASN N N 58 114.490 114.490 116.390 -1.900 25137 4495 1 7 . 1 1 58 58 ASN HA H 58 4.693 4.693 4.896 -0.203 25137 4496 1 7 . 1 1 58 58 ASN C C 58 173.400 173.400 175.995 -2.595 25137 4497 1 7 . 1 1 58 58 ASN CA C 58 53.570 53.570 51.766 1.804 25137 4498 1 7 . 1 1 58 58 ASN CB C 58 38.820 38.820 37.849 0.971 25137 4499 1 7 . 1 1 58 58 ASN H H 58 8.600 8.600 7.919 0.681 25137 4500 1 7 . 1 1 59 59 LEU N N 59 130.670 130.670 120.183 10.487 25137 4501 1 7 . 1 1 59 59 LEU HA H 59 4.647 4.647 4.208 0.439 25137 4502 1 7 . 1 1 59 59 LEU C C 59 175.340 175.340 177.755 -2.415 25137 4503 1 7 . 1 1 59 59 LEU CA C 59 53.550 53.550 56.377 -2.827 25137 4504 1 7 . 1 1 59 59 LEU CB C 59 41.430 41.430 42.269 -0.839 25137 4505 1 7 . 1 1 59 59 LEU H H 59 8.260 8.260 7.797 0.463 25137 4506 1 7 . 1 1 60 60 GLY N N 60 109.030 109.030 103.701 5.329 25137 4507 1 7 . 1 1 60 60 GLY CA C 60 44.610 44.610 45.292 -0.682 25137 4508 1 7 . 1 1 60 60 GLY H H 60 7.860 7.860 7.739 0.121 25137 4509 1 7 . 1 1 61 61 PRO HA H 61 4.385 4.385 4.255 0.130 25137 4510 1 7 . 1 1 61 61 PRO C C 61 177.960 177.960 177.499 0.461 25137 4511 1 7 . 1 1 61 61 PRO CA C 61 64.888 64.888 65.129 -0.241 25137 4512 1 7 . 1 1 61 61 PRO CB C 61 32.070 32.070 32.432 -0.362 25137 4513 1 7 . 1 1 62 62 LYS N N 62 115.984 115.984 113.897 2.087 25137 4514 1 7 . 1 1 62 62 LYS HA H 62 4.524 4.524 4.390 0.134 25137 4515 1 7 . 1 1 62 62 LYS C C 62 175.810 175.810 175.425 0.385 25137 4516 1 7 . 1 1 62 62 LYS CA C 62 55.444 55.444 56.240 -0.796 25137 4517 1 7 . 1 1 62 62 LYS CB C 62 33.216 33.216 33.301 -0.085 25137 4518 1 7 . 1 1 62 62 LYS H H 62 8.625 8.625 7.816 0.809 25137 4519 1 7 . 1 1 63 63 SER N N 63 113.432 113.432 116.676 -3.244 25137 4520 1 7 . 1 1 63 63 SER HA H 63 4.609 4.609 4.237 0.372 25137 4521 1 7 . 1 1 63 63 SER C C 63 172.560 172.560 172.997 -0.437 25137 4522 1 7 . 1 1 63 63 SER CA C 63 57.715 57.715 58.930 -1.215 25137 4523 1 7 . 1 1 63 63 SER CB C 63 64.866 64.866 63.219 1.647 25137 4524 1 7 . 1 1 63 63 SER H H 63 7.389 7.389 7.818 -0.429 25137 4525 1 7 . 1 1 64 64 HIS N N 64 122.580 122.580 118.133 4.447 25137 4526 1 7 . 1 1 64 64 HIS HA H 64 5.833 5.833 4.844 0.989 25137 4527 1 7 . 1 1 64 64 HIS C C 64 176.210 176.210 175.375 0.835 25137 4528 1 7 . 1 1 64 64 HIS CA C 64 54.006 54.006 54.282 -0.276 25137 4529 1 7 . 1 1 64 64 HIS CB C 64 34.092 34.092 32.677 1.415 25137 4530 1 7 . 1 1 64 64 HIS H H 64 7.762 7.762 7.774 -0.012 25137 4531 1 7 . 1 1 65 65 CYS N N 65 111.478 111.478 121.953 -10.475 25137 4532 1 7 . 1 1 65 65 CYS HA H 65 4.342 4.342 4.380 -0.038 25137 4533 1 7 . 1 1 65 65 CYS C C 65 175.881 175.881 175.463 0.418 25137 4534 1 7 . 1 1 65 65 CYS CA C 65 57.980 57.980 59.815 -1.835 25137 4535 1 7 . 1 1 65 65 CYS CB C 65 29.790 29.790 25.459 4.331 25137 4536 1 7 . 1 1 65 65 CYS H H 65 7.946 7.946 8.748 -0.802 25137 4537 1 7 . 1 1 66 66 GLY N N 66 120.340 120.340 112.883 7.457 25137 4538 1 7 . 1 1 66 66 GLY CA C 66 48.880 48.880 46.384 2.496 25137 4539 1 7 . 1 1 66 66 GLY H H 66 11.290 11.290 8.429 2.861 25137 4540 1 7 . 1 1 67 67 PRO HA H 67 4.386 4.386 4.259 0.127 25137 4541 1 7 . 1 1 67 67 PRO C C 67 179.860 179.860 178.355 1.505 25137 4542 1 7 . 1 1 67 67 PRO CA C 67 65.388 65.388 65.046 0.341 25137 4543 1 7 . 1 1 67 67 PRO CB C 67 32.970 32.970 31.535 1.435 25137 4544 1 7 . 1 1 68 68 VAL N N 68 116.564 116.564 116.558 0.006 25137 4545 1 7 . 1 1 68 68 VAL HA H 68 3.494 3.494 3.593 -0.099 25137 4546 1 7 . 1 1 68 68 VAL C C 68 176.350 176.350 177.493 -1.143 25137 4547 1 7 . 1 1 68 68 VAL CA C 68 64.839 64.839 66.398 -1.559 25137 4548 1 7 . 1 1 68 68 VAL CB C 68 31.396 31.396 31.137 0.259 25137 4549 1 7 . 1 1 68 68 VAL H H 68 7.471 7.471 8.062 -0.591 25137 4550 1 7 . 1 1 69 69 ALA N N 69 122.825 122.825 123.160 -0.335 25137 4551 1 7 . 1 1 69 69 ALA HA H 69 3.085 3.085 3.313 -0.228 25137 4552 1 7 . 1 1 69 69 ALA C C 69 179.280 179.280 179.261 0.019 25137 4553 1 7 . 1 1 69 69 ALA CA C 69 55.209 55.209 55.293 -0.084 25137 4554 1 7 . 1 1 69 69 ALA CB C 69 18.141 18.141 18.032 0.109 25137 4555 1 7 . 1 1 69 69 ALA H H 69 7.880 7.880 7.460 0.420 25137 4556 1 7 . 1 1 70 70 ASP N N 70 116.269 116.269 118.960 -2.691 25137 4557 1 7 . 1 1 70 70 ASP HA H 70 4.314 4.314 4.284 0.030 25137 4558 1 7 . 1 1 70 70 ASP C C 70 178.300 178.300 178.495 -0.195 25137 4559 1 7 . 1 1 70 70 ASP CA C 70 57.530 57.530 57.764 -0.235 25137 4560 1 7 . 1 1 70 70 ASP CB C 70 40.582 40.582 40.533 0.049 25137 4561 1 7 . 1 1 70 70 ASP H H 70 8.316 8.316 8.032 0.284 25137 4562 1 7 . 1 1 71 71 ALA N N 71 122.771 122.771 122.744 0.027 25137 4563 1 7 . 1 1 71 71 ALA HA H 71 4.045 4.045 4.041 0.004 25137 4564 1 7 . 1 1 71 71 ALA C C 71 180.700 180.700 180.180 0.520 25137 4565 1 7 . 1 1 71 71 ALA CA C 71 55.062 55.062 54.984 0.078 25137 4566 1 7 . 1 1 71 71 ALA CB C 71 18.675 18.675 18.348 0.327 25137 4567 1 7 . 1 1 71 71 ALA H H 71 7.156 7.156 7.985 -0.829 25137 4568 1 7 . 1 1 72 72 LEU N N 72 119.021 119.021 118.443 0.578 25137 4569 1 7 . 1 1 72 72 LEU HA H 72 3.824 3.824 3.785 0.039 25137 4570 1 7 . 1 1 72 72 LEU C C 72 179.560 179.560 179.109 0.451 25137 4571 1 7 . 1 1 72 72 LEU CA C 72 58.351 58.351 57.611 0.741 25137 4572 1 7 . 1 1 72 72 LEU CB C 72 40.437 40.437 41.214 -0.777 25137 4573 1 7 . 1 1 72 72 LEU H H 72 8.250 8.250 8.238 0.012 25137 4574 1 7 . 1 1 73 73 LYS N N 73 120.087 120.087 119.465 0.622 25137 4575 1 7 . 1 1 73 73 LYS HA H 73 4.431 4.431 4.170 0.262 25137 4576 1 7 . 1 1 73 73 LYS C C 73 181.310 181.310 180.173 1.137 25137 4577 1 7 . 1 1 73 73 LYS CA C 73 59.307 59.307 58.983 0.324 25137 4578 1 7 . 1 1 73 73 LYS CB C 73 32.404 32.404 31.718 0.686 25137 4579 1 7 . 1 1 73 73 LYS H H 73 8.383 8.383 8.288 0.095 25137 4580 1 7 . 1 1 74 74 GLN N N 74 118.982 118.982 119.454 -0.472 25137 4581 1 7 . 1 1 74 74 GLN HA H 74 4.074 4.074 4.115 -0.041 25137 4582 1 7 . 1 1 74 74 GLN C C 74 177.620 177.620 177.830 -0.210 25137 4583 1 7 . 1 1 74 74 GLN CA C 74 58.834 58.834 58.566 0.267 25137 4584 1 7 . 1 1 74 74 GLN CB C 74 28.505 28.505 28.734 -0.229 25137 4585 1 7 . 1 1 74 74 GLN H H 74 8.015 8.015 8.309 -0.294 25137 4586 1 7 . 1 1 75 75 ARG N N 75 116.770 116.770 115.991 0.779 25137 4587 1 7 . 1 1 75 75 ARG HA H 75 4.272 4.272 4.405 -0.133 25137 4588 1 7 . 1 1 75 75 ARG C C 75 174.310 174.310 175.126 -0.816 25137 4589 1 7 . 1 1 75 75 ARG CA C 75 55.950 55.950 55.428 0.522 25137 4590 1 7 . 1 1 75 75 ARG CB C 75 31.780 31.780 30.414 1.366 25137 4591 1 7 . 1 1 75 75 ARG H H 75 7.240 7.240 7.493 -0.253 25137 4592 1 7 . 1 1 76 76 ALA N N 76 122.020 122.020 120.659 1.361 25137 4593 1 7 . 1 1 76 76 ALA HA H 76 4.050 4.050 4.062 -0.012 25137 4594 1 7 . 1 1 76 76 ALA C C 76 176.240 176.240 177.276 -1.036 25137 4595 1 7 . 1 1 76 76 ALA CA C 76 53.170 53.170 52.931 0.239 25137 4596 1 7 . 1 1 76 76 ALA CB C 76 16.650 16.650 17.230 -0.580 25137 4597 1 7 . 1 1 76 76 ALA H H 76 8.065 8.065 7.491 0.574 25137 4598 1 7 . 1 1 77 77 ILE N N 77 122.300 122.300 120.019 2.281 25137 4599 1 7 . 1 1 77 77 ILE HA H 77 4.502 4.502 4.313 0.189 25137 4600 1 7 . 1 1 77 77 ILE CA C 77 58.610 58.610 58.813 -0.203 25137 4601 1 7 . 1 1 77 77 ILE CB C 77 40.000 40.000 39.148 0.852 25137 4602 1 7 . 1 1 77 77 ILE H H 77 8.080 8.080 8.171 -0.091 25137 4603 1 7 . 1 1 78 78 PRO HA H 78 4.454 4.454 4.594 -0.140 25137 4604 1 7 . 1 1 78 78 PRO C C 78 174.680 174.680 175.432 -0.752 25137 4605 1 7 . 1 1 78 78 PRO CA C 78 62.622 62.622 62.797 -0.175 25137 4606 1 7 . 1 1 78 78 PRO CB C 78 32.772 32.772 32.213 0.559 25137 4607 1 7 . 1 1 79 79 PHE N N 79 109.800 109.800 116.370 -6.570 25137 4608 1 7 . 1 1 79 79 PHE HA H 79 5.656 5.656 5.451 0.205 25137 4609 1 7 . 1 1 79 79 PHE C C 79 172.780 172.780 173.461 -0.681 25137 4610 1 7 . 1 1 79 79 PHE CA C 79 55.612 55.612 55.822 -0.210 25137 4611 1 7 . 1 1 79 79 PHE CB C 79 42.181 42.181 42.186 -0.005 25137 4612 1 7 . 1 1 79 79 PHE H H 79 7.463 7.463 7.971 -0.508 25137 4613 1 7 . 1 1 80 80 ILE N N 80 114.746 114.746 120.118 -5.372 25137 4614 1 7 . 1 1 80 80 ILE HA H 80 4.545 4.545 4.524 0.021 25137 4615 1 7 . 1 1 80 80 ILE C C 80 174.750 174.750 175.046 -0.296 25137 4616 1 7 . 1 1 80 80 ILE CA C 80 58.914 58.914 59.764 -0.850 25137 4617 1 7 . 1 1 80 80 ILE CB C 80 43.079 43.079 42.450 0.629 25137 4618 1 7 . 1 1 80 80 ILE H H 80 8.024 8.024 8.606 -0.582 25137 4619 1 7 . 1 1 81 81 LEU N N 81 124.450 124.450 126.571 -2.121 25137 4620 1 7 . 1 1 81 81 LEU HA H 81 5.470 5.470 5.005 0.465 25137 4621 1 7 . 1 1 81 81 LEU C C 81 175.620 175.620 176.166 -0.546 25137 4622 1 7 . 1 1 81 81 LEU CA C 81 53.345 53.345 53.424 -0.079 25137 4623 1 7 . 1 1 81 81 LEU CB C 81 43.304 43.304 39.945 3.359 25137 4624 1 7 . 1 1 81 81 LEU H H 81 8.935 8.935 9.147 -0.212 25137 4625 1 7 . 1 1 82 82 HIS N N 82 126.167 126.167 126.557 -0.390 25137 4626 1 7 . 1 1 82 82 HIS HA H 82 5.880 5.880 5.191 0.689 25137 4627 1 7 . 1 1 82 82 HIS C C 82 172.730 172.730 174.619 -1.889 25137 4628 1 7 . 1 1 82 82 HIS CA C 82 52.947 52.947 53.714 -0.767 25137 4629 1 7 . 1 1 82 82 HIS CB C 82 31.171 31.171 29.798 1.373 25137 4630 1 7 . 1 1 82 82 HIS H H 82 8.828 8.828 8.586 0.242 25137 4631 1 7 . 1 1 83 83 THR N N 83 114.001 114.001 118.146 -4.145 25137 4632 1 7 . 1 1 83 83 THR HA H 83 5.305 5.305 5.114 0.191 25137 4633 1 7 . 1 1 83 83 THR C C 83 172.800 172.800 174.606 -1.806 25137 4634 1 7 . 1 1 83 83 THR CA C 83 58.807 58.807 59.976 -1.169 25137 4635 1 7 . 1 1 83 83 THR CB C 83 69.366 69.366 71.426 -2.060 25137 4636 1 7 . 1 1 83 83 THR H H 83 7.252 7.252 7.545 -0.293 25137 4637 1 7 . 1 1 84 84 GLY N N 84 115.666 115.666 109.594 6.072 25137 4638 1 7 . 1 1 84 84 GLY C C 84 173.764 173.764 173.527 0.237 25137 4639 1 7 . 1 1 84 84 GLY CA C 84 45.284 45.284 44.750 0.534 25137 4640 1 7 . 1 1 84 84 GLY H H 84 8.483 8.483 8.758 -0.275 25137 4641 1 7 . 1 1 85 85 ASP N N 85 123.490 123.490 119.447 4.043 25137 4642 1 7 . 1 1 85 85 ASP HA H 85 4.982 4.982 4.874 0.108 25137 4643 1 7 . 1 1 85 85 ASP C C 85 175.829 175.829 175.281 0.548 25137 4644 1 7 . 1 1 85 85 ASP CA C 85 53.420 53.420 53.295 0.125 25137 4645 1 7 . 1 1 85 85 ASP CB C 85 41.560 41.560 43.077 -1.517 25137 4646 1 7 . 1 1 85 85 ASP H H 85 8.510 8.510 7.844 0.666 25137 4647 1 7 . 1 1 86 86 LEU N N 86 122.010 122.010 122.879 -0.869 25137 4648 1 7 . 1 1 86 86 LEU HA H 86 3.997 3.997 4.475 -0.478 25137 4649 1 7 . 1 1 86 86 LEU C C 86 178.242 178.242 177.315 0.927 25137 4650 1 7 . 1 1 86 86 LEU CA C 86 57.410 57.410 56.597 0.813 25137 4651 1 7 . 1 1 86 86 LEU CB C 86 42.000 42.000 42.638 -0.638 25137 4652 1 7 . 1 1 86 86 LEU H H 86 8.210 8.210 8.452 -0.242 25137 4653 1 7 . 1 1 87 87 ASP N N 87 117.260 117.260 119.682 -2.422 25137 4654 1 7 . 1 1 87 87 ASP HA H 87 4.535 4.535 4.574 -0.039 25137 4655 1 7 . 1 1 87 87 ASP C C 87 178.351 178.351 179.152 -0.801 25137 4656 1 7 . 1 1 87 87 ASP CA C 87 56.010 56.010 56.891 -0.881 25137 4657 1 7 . 1 1 87 87 ASP CB C 87 41.400 41.400 40.874 0.526 25137 4658 1 7 . 1 1 87 87 ASP H H 87 8.290 8.290 8.226 0.064 25137 4659 1 7 . 1 1 88 88 ARG N N 88 120.750 120.750 119.975 0.775 25137 4660 1 7 . 1 1 88 88 ARG HA H 88 4.015 4.015 4.068 -0.053 25137 4661 1 7 . 1 1 88 88 ARG C C 88 177.300 177.300 177.540 -0.240 25137 4662 1 7 . 1 1 88 88 ARG CA C 88 58.340 58.340 58.354 -0.014 25137 4663 1 7 . 1 1 88 88 ARG CB C 88 30.460 30.460 29.808 0.652 25137 4664 1 7 . 1 1 88 88 ARG H H 88 8.040 8.040 8.375 -0.335 25137 4665 1 7 . 1 1 89 89 HIS N N 89 115.580 115.580 116.261 -0.681 25137 4666 1 7 . 1 1 89 89 HIS HA H 89 5.026 5.026 4.823 0.203 25137 4667 1 7 . 1 1 89 89 HIS C C 89 175.670 175.670 175.753 -0.083 25137 4668 1 7 . 1 1 89 89 HIS CA C 89 55.300 55.300 55.248 0.052 25137 4669 1 7 . 1 1 89 89 HIS CB C 89 29.890 29.890 29.836 0.054 25137 4670 1 7 . 1 1 89 89 HIS H H 89 7.900 7.900 8.022 -0.122 25137 4671 1 7 . 1 1 90 90 GLY N N 90 108.320 108.320 108.843 -0.523 25137 4672 1 7 . 1 1 90 90 GLY C C 90 175.880 175.880 175.451 0.429 25137 4673 1 7 . 1 1 90 90 GLY CA C 90 48.310 48.310 47.103 1.207 25137 4674 1 7 . 1 1 90 90 GLY H H 90 7.790 7.790 8.091 -0.301 25137 4675 1 7 . 1 1 91 91 GLU N N 91 120.490 120.490 121.518 -1.028 25137 4676 1 7 . 1 1 91 91 GLU HA H 91 4.043 4.043 4.086 -0.043 25137 4677 1 7 . 1 1 91 91 GLU C C 91 178.410 178.410 178.338 0.072 25137 4678 1 7 . 1 1 91 91 GLU CA C 91 59.200 59.200 59.009 0.191 25137 4679 1 7 . 1 1 91 91 GLU CB C 91 29.240 29.240 29.222 0.018 25137 4680 1 7 . 1 1 91 91 GLU H H 91 8.580 8.580 8.265 0.315 25137 4681 1 7 . 1 1 92 92 LEU N N 92 121.740 121.740 121.074 0.666 25137 4682 1 7 . 1 1 92 92 LEU HA H 92 4.048 4.048 4.076 -0.028 25137 4683 1 7 . 1 1 92 92 LEU C C 92 178.630 178.630 178.771 -0.141 25137 4684 1 7 . 1 1 92 92 LEU CA C 92 57.690 57.690 57.653 0.037 25137 4685 1 7 . 1 1 92 92 LEU CB C 92 41.820 41.820 41.720 0.100 25137 4686 1 7 . 1 1 92 92 LEU H H 92 7.690 7.690 7.949 -0.259 25137 4687 1 7 . 1 1 93 93 LEU N N 93 117.310 117.310 118.949 -1.639 25137 4688 1 7 . 1 1 93 93 LEU HA H 93 3.881 3.881 3.788 0.093 25137 4689 1 7 . 1 1 93 93 LEU C C 93 174.967 174.967 178.837 -3.870 25137 4690 1 7 . 1 1 93 93 LEU CA C 93 57.940 57.940 58.424 -0.484 25137 4691 1 7 . 1 1 93 93 LEU CB C 93 40.640 40.640 41.156 -0.516 25137 4692 1 7 . 1 1 93 93 LEU H H 93 8.160 8.160 8.736 -0.576 25137 4693 1 7 . 1 1 94 94 ARG N N 94 117.940 117.940 118.182 -0.242 25137 4694 1 7 . 1 1 94 94 ARG HA H 94 4.120 4.120 4.178 -0.058 25137 4695 1 7 . 1 1 94 94 ARG C C 94 177.870 177.870 178.039 -0.169 25137 4696 1 7 . 1 1 94 94 ARG CA C 94 58.450 58.450 58.578 -0.128 25137 4697 1 7 . 1 1 94 94 ARG CB C 94 30.370 30.370 29.818 0.552 25137 4698 1 7 . 1 1 94 94 ARG H H 94 7.770 7.770 8.018 -0.248 25137 4699 1 7 . 1 1 95 95 LYS N N 95 118.380 118.380 118.473 -0.093 25137 4700 1 7 . 1 1 95 95 LYS HA H 95 4.160 4.160 4.127 0.033 25137 4701 1 7 . 1 1 95 95 LYS C C 95 177.730 177.730 178.024 -0.294 25137 4702 1 7 . 1 1 95 95 LYS CA C 95 57.600 57.600 58.851 -1.251 25137 4703 1 7 . 1 1 95 95 LYS CB C 95 32.770 32.770 32.787 -0.017 25137 4704 1 7 . 1 1 95 95 LYS H H 95 7.640 7.640 7.593 0.047 25137 4705 1 7 . 1 1 96 96 ILE N N 96 120.160 120.160 116.338 3.822 25137 4706 1 7 . 1 1 96 96 ILE HA H 96 3.781 3.781 3.999 -0.218 25137 4707 1 7 . 1 1 96 96 ILE C C 96 175.840 175.840 176.232 -0.392 25137 4708 1 7 . 1 1 96 96 ILE CA C 96 63.720 63.720 63.236 0.484 25137 4709 1 7 . 1 1 96 96 ILE CB C 96 38.670 38.670 39.022 -0.352 25137 4710 1 7 . 1 1 96 96 ILE H H 96 7.980 7.980 7.798 0.182 25137 4711 1 7 . 1 1 97 97 ASP N N 97 120.510 120.510 121.220 -0.710 25137 4712 1 7 . 1 1 97 97 ASP HA H 97 4.380 4.380 4.285 0.095 25137 4713 1 7 . 1 1 97 97 ASP C C 97 173.580 173.580 173.816 -0.236 25137 4714 1 7 . 1 1 97 97 ASP CA C 97 54.300 54.300 55.353 -1.053 25137 4715 1 7 . 1 1 97 97 ASP CB C 97 39.490 39.490 40.164 -0.674 25137 4716 1 7 . 1 1 97 97 ASP H H 97 8.160 8.160 8.390 -0.230 25137 4717 1 7 . 1 1 98 98 ALA N N 98 123.800 123.800 122.855 0.945 25137 4718 1 7 . 1 1 98 98 ALA HA H 98 4.550 4.550 4.534 0.016 25137 4719 1 7 . 1 1 98 98 ALA CA C 98 49.860 49.860 50.578 -0.718 25137 4720 1 7 . 1 1 98 98 ALA CB C 98 21.070 21.070 20.289 0.781 25137 4721 1 7 . 1 1 98 98 ALA H H 98 7.680 7.680 7.931 -0.251 25137 4722 1 7 . 1 1 99 99 PRO HA H 99 4.370 4.370 4.474 -0.104 25137 4723 1 7 . 1 1 99 99 PRO C C 99 174.760 174.760 175.454 -0.694 25137 4724 1 7 . 1 1 99 99 PRO CA C 99 62.950 62.950 63.406 -0.455 25137 4725 1 7 . 1 1 99 99 PRO CB C 99 32.310 32.310 32.142 0.168 25137 4726 1 7 . 1 1 100 100 VAL N N 100 120.490 120.490 121.256 -0.766 25137 4727 1 7 . 1 1 100 100 VAL HA H 100 4.832 4.832 4.781 0.051 25137 4728 1 7 . 1 1 100 100 VAL C C 100 176.650 176.650 175.489 1.161 25137 4729 1 7 . 1 1 100 100 VAL CA C 100 60.450 60.450 61.185 -0.735 25137 4730 1 7 . 1 1 100 100 VAL CB C 100 34.830 34.830 34.674 0.156 25137 4731 1 7 . 1 1 100 100 VAL H H 100 8.270 8.270 8.174 0.096 25137 4732 1 7 . 1 1 101 101 MET N N 101 127.420 127.420 126.014 1.406 25137 4733 1 7 . 1 1 101 101 MET HA H 101 4.705 4.705 4.753 -0.048 25137 4734 1 7 . 1 1 101 101 MET C C 101 174.490 174.490 174.891 -0.401 25137 4735 1 7 . 1 1 101 101 MET CA C 101 54.730 54.730 53.168 1.562 25137 4736 1 7 . 1 1 101 101 MET CB C 101 34.560 34.560 32.974 1.586 25137 4737 1 7 . 1 1 101 101 MET H H 101 9.240 9.240 9.167 0.073 25137 4738 1 7 . 1 1 102 102 ALA N N 102 128.590 128.590 128.697 -0.107 25137 4739 1 7 . 1 1 102 102 ALA HA H 102 4.608 4.608 4.684 -0.076 25137 4740 1 7 . 1 1 102 102 ALA C C 102 177.935 177.935 176.742 1.193 25137 4741 1 7 . 1 1 102 102 ALA CA C 102 51.930 51.930 51.775 0.155 25137 4742 1 7 . 1 1 102 102 ALA CB C 102 19.040 19.040 20.023 -0.983 25137 4743 1 7 . 1 1 102 102 ALA H H 102 8.760 8.760 8.548 0.212 25137 4744 1 7 . 1 1 103 103 LYS N N 103 120.200 120.200 124.057 -3.857 25137 4745 1 7 . 1 1 103 103 LYS HA H 103 4.284 4.284 4.820 -0.536 25137 4746 1 7 . 1 1 103 103 LYS CA C 103 54.370 54.370 54.214 0.156 25137 4747 1 7 . 1 1 103 103 LYS CB C 103 34.190 34.190 32.471 1.719 25137 4748 1 7 . 1 1 103 103 LYS H H 103 7.300 7.300 7.905 -0.605 25137 4749 1 7 . 1 1 104 104 PRO HA H 104 4.611 4.611 4.543 0.068 25137 4750 1 7 . 1 1 104 104 PRO C C 104 174.980 174.980 175.784 -0.804 25137 4751 1 7 . 1 1 104 104 PRO CA C 104 62.626 62.626 62.880 -0.254 25137 4752 1 7 . 1 1 104 104 PRO CB C 104 33.867 33.867 32.009 1.858 25137 4753 1 7 . 1 1 105 105 ALA N N 105 125.082 125.082 126.357 -1.275 25137 4754 1 7 . 1 1 105 105 ALA HA H 105 4.576 4.576 4.520 0.056 25137 4755 1 7 . 1 1 105 105 ALA C C 105 176.890 176.890 176.145 0.745 25137 4756 1 7 . 1 1 105 105 ALA CA C 105 51.177 51.177 51.063 0.113 25137 4757 1 7 . 1 1 105 105 ALA CB C 105 21.735 21.735 21.243 0.492 25137 4758 1 7 . 1 1 105 105 ALA H H 105 8.668 8.668 8.364 0.303 25137 4759 1 7 . 1 1 106 106 ASP N N 106 122.306 122.306 124.324 -2.018 25137 4760 1 7 . 1 1 106 106 ASP HA H 106 4.636 4.636 4.653 -0.017 25137 4761 1 7 . 1 1 106 106 ASP C C 106 178.383 178.383 177.534 0.849 25137 4762 1 7 . 1 1 106 106 ASP CA C 106 54.312 54.312 54.141 0.171 25137 4763 1 7 . 1 1 106 106 ASP CB C 106 41.260 41.260 42.649 -1.389 25137 4764 1 7 . 1 1 106 106 ASP H H 106 8.867 8.867 8.554 0.313 25137 4765 1 7 . 1 1 107 107 THR N N 107 119.540 119.540 116.948 2.592 25137 4766 1 7 . 1 1 107 107 THR HA H 107 3.573 3.573 4.024 -0.451 25137 4767 1 7 . 1 1 107 107 THR C C 107 176.393 176.393 176.199 0.194 25137 4768 1 7 . 1 1 107 107 THR CA C 107 65.940 65.940 64.430 1.510 25137 4769 1 7 . 1 1 107 107 THR CB C 107 68.191 68.191 68.851 -0.660 25137 4770 1 7 . 1 1 107 107 THR H H 107 8.658 8.658 8.538 0.120 25137 4771 1 7 . 1 1 108 108 SER N N 108 117.095 117.095 117.595 -0.500 25137 4772 1 7 . 1 1 108 108 SER HA H 108 4.140 4.140 4.021 0.119 25137 4773 1 7 . 1 1 108 108 SER C C 108 176.143 176.143 176.286 -0.143 25137 4774 1 7 . 1 1 108 108 SER CA C 108 61.650 61.650 62.207 -0.557 25137 4775 1 7 . 1 1 108 108 SER CB C 108 62.450 62.450 62.521 -0.071 25137 4776 1 7 . 1 1 108 108 SER H H 108 8.480 8.480 8.051 0.429 25137 4777 1 7 . 1 1 109 109 ASP N N 109 122.520 122.520 123.590 -1.070 25137 4778 1 7 . 1 1 109 109 ASP HA H 109 4.400 4.400 4.426 -0.026 25137 4779 1 7 . 1 1 109 109 ASP C C 109 178.499 178.499 178.443 0.056 25137 4780 1 7 . 1 1 109 109 ASP CA C 109 56.990 56.990 57.853 -0.863 25137 4781 1 7 . 1 1 109 109 ASP CB C 109 40.560 40.560 40.597 -0.037 25137 4782 1 7 . 1 1 109 109 ASP H H 109 7.350 7.350 7.714 -0.364 25137 4783 1 7 . 1 1 110 110 VAL N N 110 120.210 120.210 119.977 0.233 25137 4784 1 7 . 1 1 110 110 VAL HA H 110 3.262 3.262 3.506 -0.244 25137 4785 1 7 . 1 1 110 110 VAL C C 110 176.535 176.535 177.604 -1.069 25137 4786 1 7 . 1 1 110 110 VAL CA C 110 66.090 66.090 66.506 -0.416 25137 4787 1 7 . 1 1 110 110 VAL CB C 110 31.400 31.400 31.261 0.140 25137 4788 1 7 . 1 1 110 110 VAL H H 110 7.440 7.440 7.387 0.053 25137 4789 1 7 . 1 1 111 111 ALA N N 111 118.790 118.790 121.559 -2.769 25137 4790 1 7 . 1 1 111 111 ALA HA H 111 3.264 3.264 3.000 0.264 25137 4791 1 7 . 1 1 111 111 ALA C C 111 179.030 179.030 179.360 -0.330 25137 4792 1 7 . 1 1 111 111 ALA CA C 111 54.590 54.590 54.861 -0.271 25137 4793 1 7 . 1 1 111 111 ALA CB C 111 16.480 16.480 17.447 -0.967 25137 4794 1 7 . 1 1 111 111 ALA H H 111 7.610 7.610 8.075 -0.465 25137 4795 1 7 . 1 1 112 112 LYS N N 112 115.540 115.540 118.110 -2.570 25137 4796 1 7 . 1 1 112 112 LYS HA H 112 3.750 3.750 3.940 -0.190 25137 4797 1 7 . 1 1 112 112 LYS C C 112 179.470 179.470 179.239 0.231 25137 4798 1 7 . 1 1 112 112 LYS CA C 112 60.020 60.020 59.612 0.408 25137 4799 1 7 . 1 1 112 112 LYS CB C 112 32.680 32.680 32.278 0.403 25137 4800 1 7 . 1 1 112 112 LYS H H 112 7.840 7.840 7.939 -0.099 25137 4801 1 7 . 1 1 113 113 ARG N N 113 118.590 118.590 117.528 1.062 25137 4802 1 7 . 1 1 113 113 ARG HA H 113 4.021 4.021 4.370 -0.349 25137 4803 1 7 . 1 1 113 113 ARG C C 113 179.120 179.120 178.680 0.440 25137 4804 1 7 . 1 1 113 113 ARG CA C 113 58.180 58.180 57.702 0.478 25137 4805 1 7 . 1 1 113 113 ARG CB C 113 29.530 29.530 29.600 -0.070 25137 4806 1 7 . 1 1 113 113 ARG H H 113 7.860 7.860 7.944 -0.084 25137 4807 1 7 . 1 1 114 114 ALA N N 114 120.520 120.520 122.482 -1.962 25137 4808 1 7 . 1 1 114 114 ALA HA H 114 4.046 4.046 4.290 -0.244 25137 4809 1 7 . 1 1 114 114 ALA C C 114 179.280 179.280 179.471 -0.191 25137 4810 1 7 . 1 1 114 114 ALA CA C 114 55.070 55.070 54.806 0.264 25137 4811 1 7 . 1 1 114 114 ALA CB C 114 17.920 17.920 19.024 -1.104 25137 4812 1 7 . 1 1 114 114 ALA H H 114 8.190 8.190 7.595 0.595 25137 4813 1 7 . 1 1 115 115 LEU N N 115 115.820 115.820 118.833 -3.013 25137 4814 1 7 . 1 1 115 115 LEU HA H 115 4.225 4.225 4.051 0.174 25137 4815 1 7 . 1 1 115 115 LEU C C 115 180.490 180.490 178.906 1.584 25137 4816 1 7 . 1 1 115 115 LEU CA C 115 57.600 57.600 57.516 0.084 25137 4817 1 7 . 1 1 115 115 LEU CB C 115 40.590 40.590 41.806 -1.216 25137 4818 1 7 . 1 1 115 115 LEU H H 115 8.320 8.320 8.661 -0.341 25137 4819 1 7 . 1 1 116 116 GLU N N 116 119.789 119.789 119.712 0.077 25137 4820 1 7 . 1 1 116 116 GLU HA H 116 4.109 4.109 3.994 0.115 25137 4821 1 7 . 1 1 116 116 GLU C C 116 178.790 178.790 178.551 0.239 25137 4822 1 7 . 1 1 116 116 GLU CA C 116 58.625 58.625 59.150 -0.525 25137 4823 1 7 . 1 1 116 116 GLU CB C 116 29.548 29.548 28.937 0.611 25137 4824 1 7 . 1 1 116 116 GLU H H 116 7.904 7.904 8.473 -0.569 25137 4825 1 7 . 1 1 117 117 MET N N 117 116.426 116.426 117.012 -0.586 25137 4826 1 7 . 1 1 117 117 MET HA H 117 4.245 4.245 4.306 -0.061 25137 4827 1 7 . 1 1 117 117 MET C C 117 176.890 176.890 177.311 -0.421 25137 4828 1 7 . 1 1 117 117 MET CA C 117 57.638 57.638 57.834 -0.196 25137 4829 1 7 . 1 1 117 117 MET CB C 117 33.467 33.467 32.910 0.557 25137 4830 1 7 . 1 1 117 117 MET H H 117 7.712 7.712 7.617 0.095 25137 4831 1 7 . 1 1 118 118 CYS N N 118 113.993 113.993 117.000 -3.007 25137 4832 1 7 . 1 1 118 118 CYS HA H 118 4.699 4.699 4.294 0.405 25137 4833 1 7 . 1 1 118 118 CYS C C 118 174.750 174.750 176.963 -2.213 25137 4834 1 7 . 1 1 118 118 CYS CA C 118 58.541 58.541 60.513 -1.972 25137 4835 1 7 . 1 1 118 118 CYS CB C 118 28.552 28.552 28.787 -0.235 25137 4836 1 7 . 1 1 118 118 CYS H H 118 7.428 7.428 7.593 -0.165 25137 4837 1 7 . 1 1 119 119 GLY N N 119 109.823 109.823 107.092 2.731 25137 4838 1 7 . 1 1 119 119 GLY C C 119 174.660 174.660 174.409 0.251 25137 4839 1 7 . 1 1 119 119 GLY CA C 119 45.709 45.709 45.127 0.582 25137 4840 1 7 . 1 1 119 119 GLY H H 119 8.056 8.056 8.142 -0.086 25137 4841 1 7 . 1 1 120 120 GLY N N 120 108.821 108.821 109.884 -1.063 25137 4842 1 7 . 1 1 120 120 GLY C C 120 173.790 173.790 172.638 1.152 25137 4843 1 7 . 1 1 120 120 GLY CA C 120 45.326 45.326 44.484 0.841 25137 4844 1 7 . 1 1 120 120 GLY H H 120 8.301 8.301 7.260 1.041 25137 4845 1 7 . 1 1 121 121 ASP N N 121 120.383 120.383 122.444 -2.061 25137 4846 1 7 . 1 1 121 121 ASP HA H 121 4.591 4.591 4.708 -0.117 25137 4847 1 7 . 1 1 121 121 ASP C C 121 176.160 176.160 175.791 0.369 25137 4848 1 7 . 1 1 121 121 ASP CA C 121 54.313 54.313 54.617 -0.304 25137 4849 1 7 . 1 1 121 121 ASP CB C 121 41.079 41.079 41.299 -0.220 25137 4850 1 7 . 1 1 121 121 ASP H H 121 8.438 8.438 8.222 0.216 25137 4851 1 7 . 1 1 122 122 LYS N N 122 121.450 121.450 122.968 -1.518 25137 4852 1 7 . 1 1 122 122 LYS HA H 122 4.350 4.350 4.644 -0.294 25137 4853 1 7 . 1 1 122 122 LYS C C 122 177.184 177.184 175.127 2.057 25137 4854 1 7 . 1 1 122 122 LYS CA C 122 55.890 55.890 55.416 0.474 25137 4855 1 7 . 1 1 122 122 LYS CB C 122 33.190 33.190 33.652 -0.462 25137 4856 1 7 . 1 1 122 122 LYS H H 122 8.258 8.258 8.385 -0.127 25137 4857 1 7 . 1 1 123 123 GLU N N 123 123.560 123.560 121.315 2.245 25137 4858 1 7 . 1 1 123 123 GLU HA H 123 4.550 4.550 4.490 0.060 25137 4859 1 7 . 1 1 123 123 GLU CA C 123 54.470 54.470 54.659 -0.189 25137 4860 1 7 . 1 1 123 123 GLU CB C 123 29.640 29.640 29.360 0.280 25137 4861 1 7 . 1 1 123 123 GLU H H 123 8.420 8.420 8.670 -0.250 25137 4862 1 7 . 1 1 124 124 PRO HA H 124 4.384 4.384 4.317 0.067 25137 4863 1 7 . 1 1 124 124 PRO C C 124 175.770 175.770 175.694 0.076 25137 4864 1 7 . 1 1 124 124 PRO CA C 124 63.350 63.350 63.665 -0.315 25137 4865 1 7 . 1 1 124 124 PRO CB C 124 32.300 32.300 32.323 -0.023 25137 4866 1 8 . 1 1 2 2 ALA N N 2 123.423 123.423 121.947 1.476 25137 4867 1 8 . 1 1 2 2 ALA HA H 2 4.357 4.357 4.194 0.163 25137 4868 1 8 . 1 1 2 2 ALA C C 2 177.811 177.811 176.722 1.089 25137 4869 1 8 . 1 1 2 2 ALA CA C 2 52.652 52.652 52.524 0.128 25137 4870 1 8 . 1 1 2 2 ALA CB C 2 19.488 19.488 18.330 1.158 25137 4871 1 8 . 1 1 2 2 ALA H H 2 7.983 7.983 8.085 -0.102 25137 4872 1 8 . 1 1 3 3 MET N N 3 119.390 119.390 118.193 1.197 25137 4873 1 8 . 1 1 3 3 MET HA H 3 4.482 4.482 4.714 -0.232 25137 4874 1 8 . 1 1 3 3 MET C C 3 176.569 176.569 176.447 0.122 25137 4875 1 8 . 1 1 3 3 MET CA C 3 55.570 55.570 55.148 0.422 25137 4876 1 8 . 1 1 3 3 MET CB C 3 32.900 32.900 32.827 0.073 25137 4877 1 8 . 1 1 3 3 MET H H 3 8.570 8.570 7.949 0.621 25137 4878 1 8 . 1 1 4 4 GLY N N 4 110.130 110.130 114.711 -4.581 25137 4879 1 8 . 1 1 4 4 GLY C C 4 173.630 173.630 173.795 -0.165 25137 4880 1 8 . 1 1 4 4 GLY CA C 4 45.270 45.270 44.546 0.724 25137 4881 1 8 . 1 1 4 4 GLY H H 4 8.370 8.370 8.672 -0.302 25137 4882 1 8 . 1 1 5 5 MET N N 5 121.570 121.570 123.346 -1.776 25137 4883 1 8 . 1 1 5 5 MET HA H 5 4.780 4.780 4.711 0.069 25137 4884 1 8 . 1 1 5 5 MET CA C 5 53.630 53.630 52.750 0.880 25137 4885 1 8 . 1 1 5 5 MET CB C 5 33.140 33.140 32.476 0.664 25137 4886 1 8 . 1 1 5 5 MET H H 5 8.210 8.210 8.140 0.070 25137 4887 1 8 . 1 1 6 6 PRO HA H 6 4.505 4.505 4.543 -0.038 25137 4888 1 8 . 1 1 6 6 PRO C C 6 174.520 174.520 175.767 -1.247 25137 4889 1 8 . 1 1 6 6 PRO CA C 6 62.980 62.980 62.310 0.669 25137 4890 1 8 . 1 1 6 6 PRO CB C 6 32.400 32.400 32.618 -0.218 25137 4891 1 8 . 1 1 7 7 LYS N N 7 123.443 123.443 125.700 -2.257 25137 4892 1 8 . 1 1 7 7 LYS HA H 7 5.000 5.000 4.827 0.173 25137 4893 1 8 . 1 1 7 7 LYS C C 7 175.920 175.920 176.187 -0.267 25137 4894 1 8 . 1 1 7 7 LYS CA C 7 54.911 54.911 55.229 -0.318 25137 4895 1 8 . 1 1 7 7 LYS CB C 7 33.635 33.635 32.690 0.945 25137 4896 1 8 . 1 1 7 7 LYS H H 7 9.675 9.675 9.211 0.464 25137 4897 1 8 . 1 1 8 8 VAL N N 8 125.859 125.859 128.113 -2.254 25137 4898 1 8 . 1 1 8 8 VAL HA H 8 4.723 4.723 4.918 -0.195 25137 4899 1 8 . 1 1 8 8 VAL C C 8 174.630 174.630 174.058 0.572 25137 4900 1 8 . 1 1 8 8 VAL CA C 8 59.726 59.726 60.847 -1.121 25137 4901 1 8 . 1 1 8 8 VAL CB C 8 34.991 34.991 33.203 1.788 25137 4902 1 8 . 1 1 8 8 VAL H H 8 8.851 8.851 9.100 -0.249 25137 4903 1 8 . 1 1 9 9 LEU N N 9 127.114 127.114 130.199 -3.085 25137 4904 1 8 . 1 1 9 9 LEU HA H 9 5.190 5.190 4.834 0.356 25137 4905 1 8 . 1 1 9 9 LEU C C 9 174.090 174.090 174.691 -0.601 25137 4906 1 8 . 1 1 9 9 LEU CA C 9 53.090 53.090 53.187 -0.097 25137 4907 1 8 . 1 1 9 9 LEU CB C 9 45.007 45.007 43.837 1.170 25137 4908 1 8 . 1 1 9 9 LEU H H 9 7.881 7.881 8.705 -0.824 25137 4909 1 8 . 1 1 10 10 VAL N N 10 128.024 128.024 128.742 -0.718 25137 4910 1 8 . 1 1 10 10 VAL HA H 10 4.647 4.647 4.416 0.231 25137 4911 1 8 . 1 1 10 10 VAL C C 10 172.900 172.900 174.196 -1.296 25137 4912 1 8 . 1 1 10 10 VAL CA C 10 61.206 61.206 62.307 -1.101 25137 4913 1 8 . 1 1 10 10 VAL CB C 10 34.541 34.541 32.712 1.829 25137 4914 1 8 . 1 1 10 10 VAL H H 10 8.952 8.952 9.232 -0.280 25137 4915 1 8 . 1 1 11 11 LEU N N 11 128.979 128.979 130.291 -1.312 25137 4916 1 8 . 1 1 11 11 LEU HA H 11 5.504 5.504 5.269 0.235 25137 4917 1 8 . 1 1 11 11 LEU C C 11 174.450 174.450 175.338 -0.888 25137 4918 1 8 . 1 1 11 11 LEU CA C 11 52.328 52.328 53.135 -0.807 25137 4919 1 8 . 1 1 11 11 LEU CB C 11 45.000 45.000 41.261 3.739 25137 4920 1 8 . 1 1 11 11 LEU H H 11 8.433 8.433 9.201 -0.768 25137 4921 1 8 . 1 1 12 12 GLU N N 12 128.158 128.158 124.974 3.184 25137 4922 1 8 . 1 1 12 12 GLU HA H 12 4.294 4.294 4.542 -0.248 25137 4923 1 8 . 1 1 12 12 GLU C C 12 173.120 173.120 174.574 -1.454 25137 4924 1 8 . 1 1 12 12 GLU CA C 12 56.964 56.964 55.977 0.987 25137 4925 1 8 . 1 1 12 12 GLU CB C 12 32.201 32.201 33.039 -0.838 25137 4926 1 8 . 1 1 12 12 GLU H H 12 8.532 8.532 8.581 -0.049 25137 4927 1 8 . 1 1 13 13 ASP N N 13 123.077 123.077 126.236 -3.159 25137 4928 1 8 . 1 1 13 13 ASP HA H 13 4.659 4.659 4.595 0.064 25137 4929 1 8 . 1 1 13 13 ASP C C 13 176.090 176.090 176.780 -0.690 25137 4930 1 8 . 1 1 13 13 ASP CA C 13 55.140 55.140 54.887 0.253 25137 4931 1 8 . 1 1 13 13 ASP CB C 13 40.524 40.524 41.558 -1.034 25137 4932 1 8 . 1 1 13 13 ASP H H 13 8.803 8.803 8.759 0.044 25137 4933 1 8 . 1 1 14 14 GLU N N 14 126.685 126.685 120.644 6.041 25137 4934 1 8 . 1 1 14 14 GLU HA H 14 4.809 4.809 4.606 0.203 25137 4935 1 8 . 1 1 14 14 GLU CA C 14 54.574 54.574 54.113 0.461 25137 4936 1 8 . 1 1 14 14 GLU CB C 14 29.310 29.310 29.627 -0.317 25137 4937 1 8 . 1 1 14 14 GLU H H 14 10.077 10.077 8.373 1.704 25137 4938 1 8 . 1 1 15 15 PRO HA H 15 4.273 4.273 4.183 0.090 25137 4939 1 8 . 1 1 15 15 PRO C C 15 179.110 179.110 178.179 0.931 25137 4940 1 8 . 1 1 15 15 PRO CA C 15 65.472 65.472 65.596 -0.124 25137 4941 1 8 . 1 1 15 15 PRO CB C 15 32.462 32.462 31.812 0.650 25137 4942 1 8 . 1 1 16 16 LEU N N 16 118.358 118.358 118.256 0.102 25137 4943 1 8 . 1 1 16 16 LEU HA H 16 4.131 4.131 4.143 -0.012 25137 4944 1 8 . 1 1 16 16 LEU C C 16 179.260 179.260 178.662 0.598 25137 4945 1 8 . 1 1 16 16 LEU CA C 16 58.306 58.306 58.177 0.129 25137 4946 1 8 . 1 1 16 16 LEU CB C 16 41.731 41.731 41.382 0.349 25137 4947 1 8 . 1 1 16 16 LEU H H 16 8.851 8.851 8.246 0.605 25137 4948 1 8 . 1 1 17 17 ILE N N 17 117.680 117.680 119.102 -1.422 25137 4949 1 8 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.642 0.190 25137 4950 1 8 . 1 1 17 17 ILE C C 17 178.230 178.230 177.960 0.270 25137 4951 1 8 . 1 1 17 17 ILE CA C 17 63.344 63.344 64.948 -1.605 25137 4952 1 8 . 1 1 17 17 ILE CB C 17 36.564 36.564 37.343 -0.779 25137 4953 1 8 . 1 1 17 17 ILE H H 17 6.886 6.886 7.385 -0.499 25137 4954 1 8 . 1 1 18 18 ALA N N 18 122.321 122.321 123.263 -0.942 25137 4955 1 8 . 1 1 18 18 ALA HA H 18 3.720 3.720 3.871 -0.151 25137 4956 1 8 . 1 1 18 18 ALA C C 18 178.900 178.900 179.386 -0.486 25137 4957 1 8 . 1 1 18 18 ALA CA C 18 55.890 55.890 55.460 0.430 25137 4958 1 8 . 1 1 18 18 ALA CB C 18 18.165 18.165 18.200 -0.035 25137 4959 1 8 . 1 1 18 18 ALA H H 18 7.988 7.988 8.515 -0.527 25137 4960 1 8 . 1 1 19 19 MET N N 19 115.807 115.807 118.614 -2.807 25137 4961 1 8 . 1 1 19 19 MET HA H 19 3.999 3.999 4.042 -0.043 25137 4962 1 8 . 1 1 19 19 MET C C 19 177.180 177.180 178.003 -0.823 25137 4963 1 8 . 1 1 19 19 MET CA C 19 58.144 58.144 59.173 -1.029 25137 4964 1 8 . 1 1 19 19 MET CB C 19 32.852 32.852 32.838 0.014 25137 4965 1 8 . 1 1 19 19 MET H H 19 8.204 8.204 8.586 -0.382 25137 4966 1 8 . 1 1 20 20 ASN N N 20 117.843 117.843 118.830 -0.987 25137 4967 1 8 . 1 1 20 20 ASN HA H 20 4.545 4.545 4.723 -0.178 25137 4968 1 8 . 1 1 20 20 ASN C C 20 179.590 179.590 178.528 1.062 25137 4969 1 8 . 1 1 20 20 ASN CA C 20 56.222 56.222 56.021 0.201 25137 4970 1 8 . 1 1 20 20 ASN CB C 20 38.005 38.005 38.556 -0.551 25137 4971 1 8 . 1 1 20 20 ASN H H 20 7.839 7.839 8.150 -0.311 25137 4972 1 8 . 1 1 21 21 LEU N N 21 121.749 121.749 121.843 -0.094 25137 4973 1 8 . 1 1 21 21 LEU HA H 21 4.055 4.055 4.134 -0.079 25137 4974 1 8 . 1 1 21 21 LEU C C 21 177.750 177.750 178.740 -0.990 25137 4975 1 8 . 1 1 21 21 LEU CA C 21 58.268 58.268 58.475 -0.207 25137 4976 1 8 . 1 1 21 21 LEU CB C 21 42.605 42.605 41.947 0.658 25137 4977 1 8 . 1 1 21 21 LEU H H 21 8.601 8.601 8.929 -0.328 25137 4978 1 8 . 1 1 22 22 GLN N N 22 120.991 120.991 119.561 1.430 25137 4979 1 8 . 1 1 22 22 GLN HA H 22 3.935 3.935 3.969 -0.034 25137 4980 1 8 . 1 1 22 22 GLN C C 22 178.070 178.070 178.677 -0.607 25137 4981 1 8 . 1 1 22 22 GLN CA C 22 60.463 60.463 59.441 1.022 25137 4982 1 8 . 1 1 22 22 GLN CB C 22 26.902 26.902 28.588 -1.686 25137 4983 1 8 . 1 1 22 22 GLN H H 22 8.749 8.749 8.238 0.511 25137 4984 1 8 . 1 1 23 23 TYR N N 23 117.446 117.446 118.811 -1.365 25137 4985 1 8 . 1 1 23 23 TYR HA H 23 4.517 4.517 4.200 0.317 25137 4986 1 8 . 1 1 23 23 TYR C C 23 178.210 178.210 177.931 0.279 25137 4987 1 8 . 1 1 23 23 TYR CA C 23 59.425 59.425 61.205 -1.780 25137 4988 1 8 . 1 1 23 23 TYR CB C 23 36.975 36.975 37.928 -0.954 25137 4989 1 8 . 1 1 23 23 TYR H H 23 8.450 8.450 8.604 -0.154 25137 4990 1 8 . 1 1 24 24 ALA N N 24 121.627 121.627 122.792 -1.165 25137 4991 1 8 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.011 0.088 25137 4992 1 8 . 1 1 24 24 ALA C C 24 180.910 180.910 179.332 1.578 25137 4993 1 8 . 1 1 24 24 ALA CA C 24 55.060 55.060 54.980 0.080 25137 4994 1 8 . 1 1 24 24 ALA CB C 24 18.070 18.070 18.082 -0.012 25137 4995 1 8 . 1 1 24 24 ALA H H 24 7.765 7.765 7.936 -0.171 25137 4996 1 8 . 1 1 25 25 PHE N N 25 115.589 115.589 117.650 -2.061 25137 4997 1 8 . 1 1 25 25 PHE HA H 25 3.940 3.940 4.108 -0.168 25137 4998 1 8 . 1 1 25 25 PHE C C 25 179.090 179.090 178.612 0.478 25137 4999 1 8 . 1 1 25 25 PHE CA C 25 63.453 63.453 62.598 0.855 25137 5000 1 8 . 1 1 25 25 PHE CB C 25 39.484 39.484 38.876 0.608 25137 5001 1 8 . 1 1 25 25 PHE H H 25 8.348 8.348 8.726 -0.378 25137 5002 1 8 . 1 1 26 26 GLU N N 26 121.198 121.198 118.822 2.376 25137 5003 1 8 . 1 1 26 26 GLU HA H 26 4.429 4.429 4.404 0.025 25137 5004 1 8 . 1 1 26 26 GLU C C 26 181.680 181.680 178.688 2.992 25137 5005 1 8 . 1 1 26 26 GLU CA C 26 59.737 59.737 58.776 0.961 25137 5006 1 8 . 1 1 26 26 GLU CB C 26 28.925 28.925 29.402 -0.477 25137 5007 1 8 . 1 1 26 26 GLU H H 26 8.822 8.822 8.022 0.800 25137 5008 1 8 . 1 1 27 27 ASP N N 27 121.846 121.846 118.815 3.031 25137 5009 1 8 . 1 1 27 27 ASP HA H 27 4.468 4.468 4.504 -0.036 25137 5010 1 8 . 1 1 27 27 ASP C C 27 177.880 177.880 177.933 -0.053 25137 5011 1 8 . 1 1 27 27 ASP CA C 27 56.996 56.996 56.642 0.354 25137 5012 1 8 . 1 1 27 27 ASP CB C 27 40.640 40.640 41.047 -0.407 25137 5013 1 8 . 1 1 27 27 ASP H H 27 8.424 8.424 7.968 0.456 25137 5014 1 8 . 1 1 28 28 GLU N N 28 115.759 115.759 117.584 -1.825 25137 5015 1 8 . 1 1 28 28 GLU HA H 28 4.331 4.331 4.320 0.011 25137 5016 1 8 . 1 1 28 28 GLU C C 28 176.460 176.460 177.152 -0.692 25137 5017 1 8 . 1 1 28 28 GLU CA C 28 55.395 55.395 56.469 -1.074 25137 5018 1 8 . 1 1 28 28 GLU CB C 28 30.264 30.264 30.186 0.078 25137 5019 1 8 . 1 1 28 28 GLU H H 28 7.170 7.170 7.652 -0.482 25137 5020 1 8 . 1 1 29 29 GLY N N 29 106.899 106.899 107.564 -0.665 25137 5021 1 8 . 1 1 29 29 GLY C C 29 173.160 173.160 172.834 0.326 25137 5022 1 8 . 1 1 29 29 GLY CA C 29 45.589 45.589 45.107 0.482 25137 5023 1 8 . 1 1 29 29 GLY H H 29 7.889 7.889 7.708 0.181 25137 5024 1 8 . 1 1 30 30 ALA N N 30 121.007 121.007 121.767 -0.760 25137 5025 1 8 . 1 1 30 30 ALA HA H 30 4.680 4.680 5.252 -0.572 25137 5026 1 8 . 1 1 30 30 ALA C C 30 175.880 175.880 175.124 0.756 25137 5027 1 8 . 1 1 30 30 ALA CA C 30 50.666 50.666 50.713 -0.047 25137 5028 1 8 . 1 1 30 30 ALA CB C 30 21.882 21.882 22.262 -0.380 25137 5029 1 8 . 1 1 30 30 ALA H H 30 7.743 7.743 7.666 0.077 25137 5030 1 8 . 1 1 31 31 GLU N N 31 120.065 120.065 119.421 0.644 25137 5031 1 8 . 1 1 31 31 GLU HA H 31 4.664 4.664 4.804 -0.140 25137 5032 1 8 . 1 1 31 31 GLU C C 31 175.430 175.430 174.400 1.030 25137 5033 1 8 . 1 1 31 31 GLU CA C 31 55.136 55.136 54.645 0.491 25137 5034 1 8 . 1 1 31 31 GLU CB C 31 32.126 32.126 33.019 -0.893 25137 5035 1 8 . 1 1 31 31 GLU H H 31 8.595 8.595 8.469 0.126 25137 5036 1 8 . 1 1 32 32 VAL N N 32 123.414 123.414 124.603 -1.189 25137 5037 1 8 . 1 1 32 32 VAL HA H 32 4.787 4.787 4.889 -0.102 25137 5038 1 8 . 1 1 32 32 VAL C C 32 175.290 175.290 175.607 -0.317 25137 5039 1 8 . 1 1 32 32 VAL CA C 32 60.802 60.802 59.737 1.065 25137 5040 1 8 . 1 1 32 32 VAL CB C 32 34.991 34.991 33.799 1.192 25137 5041 1 8 . 1 1 32 32 VAL H H 32 8.872 8.872 8.436 0.436 25137 5042 1 8 . 1 1 33 33 VAL N N 33 128.158 128.158 126.544 1.614 25137 5043 1 8 . 1 1 33 33 VAL HA H 33 4.226 4.226 4.378 -0.152 25137 5044 1 8 . 1 1 33 33 VAL C C 33 173.830 173.830 174.496 -0.666 25137 5045 1 8 . 1 1 33 33 VAL CA C 33 60.990 60.990 60.731 0.259 25137 5046 1 8 . 1 1 33 33 VAL CB C 33 33.736 33.736 34.266 -0.530 25137 5047 1 8 . 1 1 33 33 VAL H H 33 9.042 9.042 9.124 -0.082 25137 5048 1 8 . 1 1 34 34 VAL N N 34 126.239 126.239 126.584 -0.345 25137 5049 1 8 . 1 1 34 34 VAL HA H 34 4.751 4.751 4.264 0.487 25137 5050 1 8 . 1 1 34 34 VAL C C 34 175.100 175.100 175.067 0.033 25137 5051 1 8 . 1 1 34 34 VAL CA C 34 61.389 61.389 61.679 -0.290 25137 5052 1 8 . 1 1 34 34 VAL CB C 34 33.193 33.193 32.602 0.591 25137 5053 1 8 . 1 1 34 34 VAL H H 34 8.522 8.522 8.493 0.029 25137 5054 1 8 . 1 1 35 35 ALA N N 35 129.955 129.955 129.191 0.764 25137 5055 1 8 . 1 1 35 35 ALA HA H 35 4.682 4.682 5.079 -0.397 25137 5056 1 8 . 1 1 35 35 ALA C C 35 174.380 174.380 175.619 -1.239 25137 5057 1 8 . 1 1 35 35 ALA CA C 35 50.154 50.154 50.312 -0.158 25137 5058 1 8 . 1 1 35 35 ALA CB C 35 22.922 22.922 23.128 -0.206 25137 5059 1 8 . 1 1 35 35 ALA H H 35 9.388 9.388 8.933 0.455 25137 5060 1 8 . 1 1 36 36 ALA N N 36 121.011 121.011 124.282 -3.271 25137 5061 1 8 . 1 1 36 36 ALA HA H 36 4.632 4.632 4.787 -0.155 25137 5062 1 8 . 1 1 36 36 ALA C C 36 176.490 176.490 176.674 -0.184 25137 5063 1 8 . 1 1 36 36 ALA CA C 36 51.778 51.778 52.680 -0.902 25137 5064 1 8 . 1 1 36 36 ALA CB C 36 21.506 21.506 20.049 1.457 25137 5065 1 8 . 1 1 36 36 ALA H H 36 8.539 8.539 9.378 -0.839 25137 5066 1 8 . 1 1 37 37 THR N N 37 102.880 102.880 107.803 -4.923 25137 5067 1 8 . 1 1 37 37 THR HA H 37 4.620 4.620 4.525 0.095 25137 5068 1 8 . 1 1 37 37 THR C C 37 174.710 174.710 175.366 -0.656 25137 5069 1 8 . 1 1 37 37 THR CA C 37 57.520 57.520 60.009 -2.489 25137 5070 1 8 . 1 1 37 37 THR CB C 37 72.972 72.972 72.260 0.712 25137 5071 1 8 . 1 1 37 37 THR H H 37 7.019 7.019 7.239 -0.220 25137 5072 1 8 . 1 1 38 38 CYS N N 38 120.553 120.553 120.764 -0.211 25137 5073 1 8 . 1 1 38 38 CYS HA H 38 3.677 3.677 4.117 -0.440 25137 5074 1 8 . 1 1 38 38 CYS C C 38 176.020 176.020 176.938 -0.918 25137 5075 1 8 . 1 1 38 38 CYS CA C 38 63.179 63.179 63.623 -0.444 25137 5076 1 8 . 1 1 38 38 CYS CB C 38 26.317 26.317 27.645 -1.327 25137 5077 1 8 . 1 1 38 38 CYS H H 38 9.398 9.398 8.864 0.534 25137 5078 1 8 . 1 1 39 39 GLU N N 39 118.521 118.521 120.493 -1.972 25137 5079 1 8 . 1 1 39 39 GLU HA H 39 3.829 3.829 3.936 -0.107 25137 5080 1 8 . 1 1 39 39 GLU C C 39 179.470 179.470 179.130 0.340 25137 5081 1 8 . 1 1 39 39 GLU CA C 39 60.594 60.594 59.849 0.745 25137 5082 1 8 . 1 1 39 39 GLU CB C 39 28.963 28.963 29.263 -0.300 25137 5083 1 8 . 1 1 39 39 GLU H H 39 8.960 8.960 8.570 0.390 25137 5084 1 8 . 1 1 40 40 GLN N N 40 118.602 118.602 118.962 -0.360 25137 5085 1 8 . 1 1 40 40 GLN HA H 40 4.021 4.021 3.927 0.094 25137 5086 1 8 . 1 1 40 40 GLN C C 40 176.211 176.211 178.421 -2.210 25137 5087 1 8 . 1 1 40 40 GLN CA C 40 58.306 58.306 58.936 -0.630 25137 5088 1 8 . 1 1 40 40 GLN CB C 40 28.925 28.925 28.522 0.403 25137 5089 1 8 . 1 1 40 40 GLN H H 40 7.855 7.855 8.192 -0.337 25137 5090 1 8 . 1 1 41 41 ALA N N 41 122.395 122.395 123.408 -1.013 25137 5091 1 8 . 1 1 41 41 ALA HA H 41 3.735 3.735 3.947 -0.212 25137 5092 1 8 . 1 1 41 41 ALA C C 41 178.440 178.440 179.487 -1.047 25137 5093 1 8 . 1 1 41 41 ALA CA C 41 55.178 55.178 55.320 -0.142 25137 5094 1 8 . 1 1 41 41 ALA CB C 41 19.872 19.872 18.407 1.466 25137 5095 1 8 . 1 1 41 41 ALA H H 41 8.009 8.009 7.819 0.190 25137 5096 1 8 . 1 1 42 42 LEU N N 42 116.832 116.832 118.217 -1.385 25137 5097 1 8 . 1 1 42 42 LEU HA H 42 3.875 3.875 3.856 0.019 25137 5098 1 8 . 1 1 42 42 LEU C C 42 180.080 180.080 179.118 0.962 25137 5099 1 8 . 1 1 42 42 LEU CA C 42 58.011 58.011 57.624 0.387 25137 5100 1 8 . 1 1 42 42 LEU CB C 42 40.961 40.961 41.275 -0.314 25137 5101 1 8 . 1 1 42 42 LEU H H 42 8.497 8.497 8.507 -0.010 25137 5102 1 8 . 1 1 43 43 LYS N N 43 121.087 121.087 120.686 0.401 25137 5103 1 8 . 1 1 43 43 LYS HA H 43 4.065 4.065 3.977 0.088 25137 5104 1 8 . 1 1 43 43 LYS C C 43 178.500 178.500 179.126 -0.626 25137 5105 1 8 . 1 1 43 43 LYS CA C 43 59.256 59.256 59.350 -0.094 25137 5106 1 8 . 1 1 43 43 LYS CB C 43 32.295 32.295 32.069 0.226 25137 5107 1 8 . 1 1 43 43 LYS H H 43 7.593 7.593 8.167 -0.574 25137 5108 1 8 . 1 1 44 44 SER N N 44 115.150 115.150 115.926 -0.776 25137 5109 1 8 . 1 1 44 44 SER HA H 44 4.130 4.130 4.231 -0.101 25137 5110 1 8 . 1 1 44 44 SER C C 44 176.430 176.430 176.735 -0.305 25137 5111 1 8 . 1 1 44 44 SER CA C 44 62.900 62.900 61.659 1.241 25137 5112 1 8 . 1 1 44 44 SER CB C 44 62.900 62.900 63.017 -0.117 25137 5113 1 8 . 1 1 44 44 SER H H 44 8.100 8.100 7.995 0.105 25137 5114 1 8 . 1 1 45 45 LEU N N 45 120.050 120.050 123.671 -3.621 25137 5115 1 8 . 1 1 45 45 LEU HA H 45 4.121 4.121 4.120 0.001 25137 5116 1 8 . 1 1 45 45 LEU C C 45 177.260 177.260 177.681 -0.421 25137 5117 1 8 . 1 1 45 45 LEU CA C 45 56.770 56.770 57.401 -0.631 25137 5118 1 8 . 1 1 45 45 LEU CB C 45 42.389 42.389 41.667 0.722 25137 5119 1 8 . 1 1 45 45 LEU H H 45 8.050 8.050 8.394 -0.344 25137 5120 1 8 . 1 1 46 46 ALA N N 46 119.940 119.940 120.159 -0.219 25137 5121 1 8 . 1 1 46 46 ALA HA H 46 4.093 4.093 4.036 0.057 25137 5122 1 8 . 1 1 46 46 ALA C C 46 179.310 179.310 179.033 0.277 25137 5123 1 8 . 1 1 46 46 ALA CA C 46 54.126 54.126 54.613 -0.487 25137 5124 1 8 . 1 1 46 46 ALA CB C 46 18.412 18.412 18.343 0.069 25137 5125 1 8 . 1 1 46 46 ALA H H 46 7.360 7.360 7.842 -0.482 25137 5126 1 8 . 1 1 47 47 ASP N N 47 115.277 115.277 118.451 -3.174 25137 5127 1 8 . 1 1 47 47 ASP HA H 47 4.610 4.610 4.543 0.067 25137 5128 1 8 . 1 1 47 47 ASP C C 47 175.930 175.930 176.599 -0.669 25137 5129 1 8 . 1 1 47 47 ASP CA C 47 55.087 55.087 55.154 -0.067 25137 5130 1 8 . 1 1 47 47 ASP CB C 47 42.364 42.364 41.680 0.684 25137 5131 1 8 . 1 1 47 47 ASP H H 47 7.583 7.583 8.013 -0.430 25137 5132 1 8 . 1 1 48 48 ASN N N 48 116.977 116.977 116.853 0.124 25137 5133 1 8 . 1 1 48 48 ASN HA H 48 5.219 5.219 5.136 0.083 25137 5134 1 8 . 1 1 48 48 ASN CA C 48 51.096 51.096 50.959 0.137 25137 5135 1 8 . 1 1 48 48 ASN CB C 48 42.381 42.381 40.714 1.667 25137 5136 1 8 . 1 1 48 48 ASN H H 48 7.727 7.727 8.295 -0.568 25137 5137 1 8 . 1 1 49 49 PRO HA H 49 4.551 4.551 4.539 0.012 25137 5138 1 8 . 1 1 49 49 PRO C C 49 174.890 174.890 175.490 -0.600 25137 5139 1 8 . 1 1 49 49 PRO CA C 49 62.093 62.093 62.430 -0.337 25137 5140 1 8 . 1 1 49 49 PRO CB C 49 29.940 29.940 31.111 -1.171 25137 5141 1 8 . 1 1 50 50 ILE N N 50 122.280 122.280 124.409 -2.129 25137 5142 1 8 . 1 1 50 50 ILE HA H 50 3.908 3.908 3.930 -0.022 25137 5143 1 8 . 1 1 50 50 ILE C C 50 174.840 174.840 175.940 -1.100 25137 5144 1 8 . 1 1 50 50 ILE CA C 50 58.580 58.580 60.811 -2.231 25137 5145 1 8 . 1 1 50 50 ILE CB C 50 38.850 38.850 37.311 1.539 25137 5146 1 8 . 1 1 50 50 ILE H H 50 7.420 7.420 7.832 -0.412 25137 5147 1 8 . 1 1 51 51 ASP N N 51 123.770 123.770 126.590 -2.820 25137 5148 1 8 . 1 1 51 51 ASP HA H 51 4.749 4.749 4.814 -0.065 25137 5149 1 8 . 1 1 51 51 ASP C C 51 175.114 175.114 175.650 -0.536 25137 5150 1 8 . 1 1 51 51 ASP CA C 51 56.930 56.930 55.840 1.090 25137 5151 1 8 . 1 1 51 51 ASP CB C 51 44.360 44.360 43.055 1.305 25137 5152 1 8 . 1 1 51 51 ASP H H 51 9.310 9.310 8.919 0.391 25137 5153 1 8 . 1 1 52 52 VAL N N 52 114.454 114.454 117.080 -2.626 25137 5154 1 8 . 1 1 52 52 VAL HA H 52 4.874 4.874 4.941 -0.067 25137 5155 1 8 . 1 1 52 52 VAL C C 52 171.129 171.129 173.205 -2.076 25137 5156 1 8 . 1 1 52 52 VAL CA C 52 59.850 59.850 60.184 -0.334 25137 5157 1 8 . 1 1 52 52 VAL CB C 52 32.980 32.980 35.800 -2.820 25137 5158 1 8 . 1 1 52 52 VAL H H 52 7.580 7.580 7.611 -0.031 25137 5159 1 8 . 1 1 53 53 ALA N N 53 124.620 124.620 125.636 -1.016 25137 5160 1 8 . 1 1 53 53 ALA HA H 53 5.665 5.665 5.142 0.523 25137 5161 1 8 . 1 1 53 53 ALA C C 53 175.100 175.100 175.009 0.091 25137 5162 1 8 . 1 1 53 53 ALA CA C 53 49.810 49.810 50.539 -0.730 25137 5163 1 8 . 1 1 53 53 ALA CB C 53 25.750 25.750 22.612 3.138 25137 5164 1 8 . 1 1 53 53 ALA H H 53 7.780 7.780 8.311 -0.531 25137 5165 1 8 . 1 1 54 54 VAL N N 54 118.950 118.950 115.742 3.208 25137 5166 1 8 . 1 1 54 54 VAL HA H 54 4.647 4.647 5.366 -0.719 25137 5167 1 8 . 1 1 54 54 VAL C C 54 174.020 174.020 174.382 -0.362 25137 5168 1 8 . 1 1 54 54 VAL CA C 54 61.580 61.580 60.598 0.982 25137 5169 1 8 . 1 1 54 54 VAL CB C 54 34.320 34.320 33.887 0.433 25137 5170 1 8 . 1 1 54 54 VAL H H 54 8.730 8.730 8.851 -0.121 25137 5171 1 8 . 1 1 55 55 LEU N N 55 124.820 124.820 128.347 -3.527 25137 5172 1 8 . 1 1 55 55 LEU HA H 55 4.953 4.953 4.837 0.116 25137 5173 1 8 . 1 1 55 55 LEU C C 55 176.110 176.110 175.536 0.574 25137 5174 1 8 . 1 1 55 55 LEU CA C 55 53.540 53.540 53.884 -0.344 25137 5175 1 8 . 1 1 55 55 LEU CB C 55 42.690 42.690 44.165 -1.475 25137 5176 1 8 . 1 1 55 55 LEU H H 55 9.240 9.240 9.216 0.024 25137 5177 1 8 . 1 1 56 56 ASP N N 56 124.220 124.220 124.932 -0.712 25137 5178 1 8 . 1 1 56 56 ASP HA H 56 5.629 5.629 4.829 0.800 25137 5179 1 8 . 1 1 56 56 ASP C C 56 174.460 174.460 176.583 -2.123 25137 5180 1 8 . 1 1 56 56 ASP CA C 56 52.930 52.930 52.795 0.135 25137 5181 1 8 . 1 1 56 56 ASP CB C 56 43.400 43.400 41.775 1.625 25137 5182 1 8 . 1 1 56 56 ASP H H 56 8.360 8.360 8.800 -0.440 25137 5183 1 8 . 1 1 57 57 VAL N N 57 119.581 119.581 125.626 -6.045 25137 5184 1 8 . 1 1 57 57 VAL HA H 57 4.239 4.239 3.671 0.568 25137 5185 1 8 . 1 1 57 57 VAL C C 57 175.480 175.480 175.965 -0.485 25137 5186 1 8 . 1 1 57 57 VAL CA C 57 64.564 64.564 64.485 0.079 25137 5187 1 8 . 1 1 57 57 VAL CB C 57 32.520 32.520 31.951 0.569 25137 5188 1 8 . 1 1 57 57 VAL H H 57 7.022 7.022 8.473 -1.451 25137 5189 1 8 . 1 1 58 58 ASN N N 58 114.490 114.490 116.690 -2.200 25137 5190 1 8 . 1 1 58 58 ASN HA H 58 4.693 4.693 4.802 -0.109 25137 5191 1 8 . 1 1 58 58 ASN C C 58 173.400 173.400 175.512 -2.112 25137 5192 1 8 . 1 1 58 58 ASN CA C 58 53.570 53.570 51.513 2.057 25137 5193 1 8 . 1 1 58 58 ASN CB C 58 38.820 38.820 38.574 0.246 25137 5194 1 8 . 1 1 58 58 ASN H H 58 8.600 8.600 8.531 0.069 25137 5195 1 8 . 1 1 59 59 LEU N N 59 130.670 130.670 120.996 9.674 25137 5196 1 8 . 1 1 59 59 LEU HA H 59 4.647 4.647 4.194 0.453 25137 5197 1 8 . 1 1 59 59 LEU C C 59 175.340 175.340 177.601 -2.261 25137 5198 1 8 . 1 1 59 59 LEU CA C 59 53.550 53.550 56.521 -2.971 25137 5199 1 8 . 1 1 59 59 LEU CB C 59 41.430 41.430 42.271 -0.841 25137 5200 1 8 . 1 1 59 59 LEU H H 59 8.260 8.260 7.825 0.435 25137 5201 1 8 . 1 1 60 60 GLY N N 60 109.030 109.030 103.303 5.727 25137 5202 1 8 . 1 1 60 60 GLY CA C 60 44.610 44.610 45.011 -0.401 25137 5203 1 8 . 1 1 60 60 GLY H H 60 7.860 7.860 7.734 0.126 25137 5204 1 8 . 1 1 61 61 PRO HA H 61 4.385 4.385 4.360 0.025 25137 5205 1 8 . 1 1 61 61 PRO C C 61 177.960 177.960 177.408 0.552 25137 5206 1 8 . 1 1 61 61 PRO CA C 61 64.888 64.888 64.994 -0.106 25137 5207 1 8 . 1 1 61 61 PRO CB C 61 32.070 32.070 32.392 -0.322 25137 5208 1 8 . 1 1 62 62 LYS N N 62 115.984 115.984 114.169 1.815 25137 5209 1 8 . 1 1 62 62 LYS HA H 62 4.524 4.524 4.583 -0.059 25137 5210 1 8 . 1 1 62 62 LYS C C 62 175.810 175.810 176.062 -0.252 25137 5211 1 8 . 1 1 62 62 LYS CA C 62 55.444 55.444 56.361 -0.917 25137 5212 1 8 . 1 1 62 62 LYS CB C 62 33.216 33.216 32.993 0.223 25137 5213 1 8 . 1 1 62 62 LYS H H 62 8.625 8.625 7.948 0.677 25137 5214 1 8 . 1 1 63 63 SER N N 63 113.432 113.432 116.249 -2.817 25137 5215 1 8 . 1 1 63 63 SER HA H 63 4.609 4.609 4.269 0.340 25137 5216 1 8 . 1 1 63 63 SER C C 63 172.560 172.560 173.183 -0.623 25137 5217 1 8 . 1 1 63 63 SER CA C 63 57.715 57.715 59.353 -1.638 25137 5218 1 8 . 1 1 63 63 SER CB C 63 64.866 64.866 63.289 1.577 25137 5219 1 8 . 1 1 63 63 SER H H 63 7.389 7.389 7.931 -0.542 25137 5220 1 8 . 1 1 64 64 HIS N N 64 122.580 122.580 118.679 3.901 25137 5221 1 8 . 1 1 64 64 HIS HA H 64 5.833 5.833 5.004 0.829 25137 5222 1 8 . 1 1 64 64 HIS C C 64 176.210 176.210 175.104 1.106 25137 5223 1 8 . 1 1 64 64 HIS CA C 64 54.006 54.006 53.590 0.416 25137 5224 1 8 . 1 1 64 64 HIS CB C 64 34.092 34.092 32.934 1.158 25137 5225 1 8 . 1 1 64 64 HIS H H 64 7.762 7.762 7.596 0.166 25137 5226 1 8 . 1 1 65 65 CYS N N 65 111.478 111.478 121.902 -10.424 25137 5227 1 8 . 1 1 65 65 CYS HA H 65 4.342 4.342 4.593 -0.251 25137 5228 1 8 . 1 1 65 65 CYS C C 65 175.881 175.881 175.141 0.740 25137 5229 1 8 . 1 1 65 65 CYS CA C 65 57.980 57.980 57.807 0.173 25137 5230 1 8 . 1 1 65 65 CYS CB C 65 29.790 29.790 26.108 3.682 25137 5231 1 8 . 1 1 65 65 CYS H H 65 7.946 7.946 8.248 -0.302 25137 5232 1 8 . 1 1 66 66 GLY N N 66 120.340 120.340 113.612 6.728 25137 5233 1 8 . 1 1 66 66 GLY CA C 66 48.880 48.880 46.276 2.604 25137 5234 1 8 . 1 1 66 66 GLY H H 66 11.290 11.290 8.266 3.024 25137 5235 1 8 . 1 1 67 67 PRO HA H 67 4.386 4.386 4.247 0.139 25137 5236 1 8 . 1 1 67 67 PRO C C 67 179.860 179.860 178.173 1.687 25137 5237 1 8 . 1 1 67 67 PRO CA C 67 65.388 65.388 65.686 -0.298 25137 5238 1 8 . 1 1 67 67 PRO CB C 67 32.970 32.970 31.372 1.598 25137 5239 1 8 . 1 1 68 68 VAL N N 68 116.564 116.564 117.510 -0.946 25137 5240 1 8 . 1 1 68 68 VAL HA H 68 3.494 3.494 3.589 -0.095 25137 5241 1 8 . 1 1 68 68 VAL C C 68 176.350 176.350 177.466 -1.116 25137 5242 1 8 . 1 1 68 68 VAL CA C 68 64.839 64.839 66.295 -1.456 25137 5243 1 8 . 1 1 68 68 VAL CB C 68 31.396 31.396 31.085 0.311 25137 5244 1 8 . 1 1 68 68 VAL H H 68 7.471 7.471 7.794 -0.323 25137 5245 1 8 . 1 1 69 69 ALA N N 69 122.825 122.825 123.105 -0.280 25137 5246 1 8 . 1 1 69 69 ALA HA H 69 3.085 3.085 3.447 -0.362 25137 5247 1 8 . 1 1 69 69 ALA C C 69 179.280 179.280 179.078 0.202 25137 5248 1 8 . 1 1 69 69 ALA CA C 69 55.209 55.209 55.380 -0.171 25137 5249 1 8 . 1 1 69 69 ALA CB C 69 18.141 18.141 18.067 0.074 25137 5250 1 8 . 1 1 69 69 ALA H H 69 7.880 7.880 7.459 0.421 25137 5251 1 8 . 1 1 70 70 ASP N N 70 116.269 116.269 118.600 -2.331 25137 5252 1 8 . 1 1 70 70 ASP HA H 70 4.314 4.314 4.293 0.021 25137 5253 1 8 . 1 1 70 70 ASP C C 70 178.300 178.300 178.078 0.222 25137 5254 1 8 . 1 1 70 70 ASP CA C 70 57.530 57.530 57.583 -0.053 25137 5255 1 8 . 1 1 70 70 ASP CB C 70 40.582 40.582 40.774 -0.192 25137 5256 1 8 . 1 1 70 70 ASP H H 70 8.316 8.316 8.123 0.193 25137 5257 1 8 . 1 1 71 71 ALA N N 71 122.771 122.771 122.536 0.235 25137 5258 1 8 . 1 1 71 71 ALA HA H 71 4.045 4.045 4.024 0.021 25137 5259 1 8 . 1 1 71 71 ALA C C 71 180.700 180.700 179.817 0.883 25137 5260 1 8 . 1 1 71 71 ALA CA C 71 55.062 55.062 55.057 0.005 25137 5261 1 8 . 1 1 71 71 ALA CB C 71 18.675 18.675 18.291 0.384 25137 5262 1 8 . 1 1 71 71 ALA H H 71 7.156 7.156 7.619 -0.463 25137 5263 1 8 . 1 1 72 72 LEU N N 72 119.021 119.021 118.022 0.999 25137 5264 1 8 . 1 1 72 72 LEU HA H 72 3.824 3.824 3.768 0.056 25137 5265 1 8 . 1 1 72 72 LEU C C 72 179.560 179.560 179.228 0.332 25137 5266 1 8 . 1 1 72 72 LEU CA C 72 58.351 58.351 57.587 0.764 25137 5267 1 8 . 1 1 72 72 LEU CB C 72 40.437 40.437 41.152 -0.715 25137 5268 1 8 . 1 1 72 72 LEU H H 72 8.250 8.250 8.182 0.068 25137 5269 1 8 . 1 1 73 73 LYS N N 73 120.087 120.087 119.148 0.939 25137 5270 1 8 . 1 1 73 73 LYS HA H 73 4.431 4.431 4.135 0.296 25137 5271 1 8 . 1 1 73 73 LYS C C 73 181.310 181.310 179.800 1.510 25137 5272 1 8 . 1 1 73 73 LYS CA C 73 59.307 59.307 58.912 0.395 25137 5273 1 8 . 1 1 73 73 LYS CB C 73 32.404 32.404 31.793 0.612 25137 5274 1 8 . 1 1 73 73 LYS H H 73 8.383 8.383 8.346 0.037 25137 5275 1 8 . 1 1 74 74 GLN N N 74 118.982 118.982 118.529 0.453 25137 5276 1 8 . 1 1 74 74 GLN HA H 74 4.074 4.074 4.107 -0.033 25137 5277 1 8 . 1 1 74 74 GLN C C 74 177.620 177.620 178.112 -0.492 25137 5278 1 8 . 1 1 74 74 GLN CA C 74 58.834 58.834 58.407 0.427 25137 5279 1 8 . 1 1 74 74 GLN CB C 74 28.505 28.505 28.851 -0.346 25137 5280 1 8 . 1 1 74 74 GLN H H 74 8.015 8.015 8.278 -0.263 25137 5281 1 8 . 1 1 75 75 ARG N N 75 116.770 116.770 116.100 0.670 25137 5282 1 8 . 1 1 75 75 ARG HA H 75 4.272 4.272 4.333 -0.061 25137 5283 1 8 . 1 1 75 75 ARG C C 75 174.310 174.310 175.194 -0.884 25137 5284 1 8 . 1 1 75 75 ARG CA C 75 55.950 55.950 55.722 0.228 25137 5285 1 8 . 1 1 75 75 ARG CB C 75 31.780 31.780 30.400 1.380 25137 5286 1 8 . 1 1 75 75 ARG H H 75 7.240 7.240 7.616 -0.376 25137 5287 1 8 . 1 1 76 76 ALA N N 76 122.020 122.020 120.027 1.993 25137 5288 1 8 . 1 1 76 76 ALA HA H 76 4.050 4.050 4.073 -0.023 25137 5289 1 8 . 1 1 76 76 ALA C C 76 176.240 176.240 176.891 -0.651 25137 5290 1 8 . 1 1 76 76 ALA CA C 76 53.170 53.170 52.674 0.496 25137 5291 1 8 . 1 1 76 76 ALA CB C 76 16.650 16.650 17.023 -0.372 25137 5292 1 8 . 1 1 76 76 ALA H H 76 8.065 8.065 7.221 0.844 25137 5293 1 8 . 1 1 77 77 ILE N N 77 122.300 122.300 119.953 2.347 25137 5294 1 8 . 1 1 77 77 ILE HA H 77 4.502 4.502 4.313 0.189 25137 5295 1 8 . 1 1 77 77 ILE CA C 77 58.610 58.610 58.887 -0.277 25137 5296 1 8 . 1 1 77 77 ILE CB C 77 40.000 40.000 38.488 1.512 25137 5297 1 8 . 1 1 77 77 ILE H H 77 8.080 8.080 8.082 -0.002 25137 5298 1 8 . 1 1 78 78 PRO HA H 78 4.454 4.454 4.598 -0.144 25137 5299 1 8 . 1 1 78 78 PRO C C 78 174.680 174.680 175.418 -0.738 25137 5300 1 8 . 1 1 78 78 PRO CA C 78 62.622 62.622 62.820 -0.198 25137 5301 1 8 . 1 1 78 78 PRO CB C 78 32.772 32.772 32.130 0.642 25137 5302 1 8 . 1 1 79 79 PHE N N 79 109.800 109.800 116.521 -6.721 25137 5303 1 8 . 1 1 79 79 PHE HA H 79 5.656 5.656 5.454 0.202 25137 5304 1 8 . 1 1 79 79 PHE C C 79 172.780 172.780 173.519 -0.739 25137 5305 1 8 . 1 1 79 79 PHE CA C 79 55.612 55.612 55.606 0.006 25137 5306 1 8 . 1 1 79 79 PHE CB C 79 42.181 42.181 42.301 -0.120 25137 5307 1 8 . 1 1 79 79 PHE H H 79 7.463 7.463 7.971 -0.508 25137 5308 1 8 . 1 1 80 80 ILE N N 80 114.746 114.746 120.464 -5.718 25137 5309 1 8 . 1 1 80 80 ILE HA H 80 4.545 4.545 4.641 -0.096 25137 5310 1 8 . 1 1 80 80 ILE C C 80 174.750 174.750 175.344 -0.594 25137 5311 1 8 . 1 1 80 80 ILE CA C 80 58.914 58.914 59.639 -0.724 25137 5312 1 8 . 1 1 80 80 ILE CB C 80 43.079 43.079 41.894 1.185 25137 5313 1 8 . 1 1 80 80 ILE H H 80 8.024 8.024 8.768 -0.744 25137 5314 1 8 . 1 1 81 81 LEU N N 81 124.450 124.450 126.901 -2.451 25137 5315 1 8 . 1 1 81 81 LEU HA H 81 5.470 5.470 5.032 0.438 25137 5316 1 8 . 1 1 81 81 LEU C C 81 175.620 175.620 176.260 -0.640 25137 5317 1 8 . 1 1 81 81 LEU CA C 81 53.345 53.345 53.435 -0.090 25137 5318 1 8 . 1 1 81 81 LEU CB C 81 43.304 43.304 39.930 3.374 25137 5319 1 8 . 1 1 81 81 LEU H H 81 8.935 8.935 9.130 -0.195 25137 5320 1 8 . 1 1 82 82 HIS N N 82 126.167 126.167 126.706 -0.539 25137 5321 1 8 . 1 1 82 82 HIS HA H 82 5.880 5.880 5.305 0.575 25137 5322 1 8 . 1 1 82 82 HIS C C 82 172.730 172.730 174.003 -1.273 25137 5323 1 8 . 1 1 82 82 HIS CA C 82 52.947 52.947 53.742 -0.795 25137 5324 1 8 . 1 1 82 82 HIS CB C 82 31.171 31.171 29.303 1.868 25137 5325 1 8 . 1 1 82 82 HIS H H 82 8.828 8.828 8.343 0.485 25137 5326 1 8 . 1 1 83 83 THR N N 83 114.001 114.001 115.571 -1.570 25137 5327 1 8 . 1 1 83 83 THR HA H 83 5.305 5.305 5.012 0.293 25137 5328 1 8 . 1 1 83 83 THR C C 83 172.800 172.800 174.874 -2.074 25137 5329 1 8 . 1 1 83 83 THR CA C 83 58.807 58.807 60.348 -1.541 25137 5330 1 8 . 1 1 83 83 THR CB C 83 69.366 69.366 71.288 -1.922 25137 5331 1 8 . 1 1 83 83 THR H H 83 7.252 7.252 7.537 -0.285 25137 5332 1 8 . 1 1 84 84 GLY N N 84 115.666 115.666 111.096 4.570 25137 5333 1 8 . 1 1 84 84 GLY C C 84 173.764 173.764 173.422 0.342 25137 5334 1 8 . 1 1 84 84 GLY CA C 84 45.284 45.284 44.346 0.938 25137 5335 1 8 . 1 1 84 84 GLY H H 84 8.483 8.483 8.588 -0.105 25137 5336 1 8 . 1 1 85 85 ASP N N 85 123.490 123.490 119.416 4.074 25137 5337 1 8 . 1 1 85 85 ASP HA H 85 4.982 4.982 4.826 0.156 25137 5338 1 8 . 1 1 85 85 ASP C C 85 175.829 175.829 174.690 1.139 25137 5339 1 8 . 1 1 85 85 ASP CA C 85 53.420 53.420 53.349 0.071 25137 5340 1 8 . 1 1 85 85 ASP CB C 85 41.560 41.560 43.043 -1.483 25137 5341 1 8 . 1 1 85 85 ASP H H 85 8.510 8.510 7.816 0.694 25137 5342 1 8 . 1 1 86 86 LEU N N 86 122.010 122.010 122.333 -0.323 25137 5343 1 8 . 1 1 86 86 LEU HA H 86 3.997 3.997 4.551 -0.554 25137 5344 1 8 . 1 1 86 86 LEU C C 86 178.242 178.242 177.224 1.018 25137 5345 1 8 . 1 1 86 86 LEU CA C 86 57.410 57.410 55.635 1.775 25137 5346 1 8 . 1 1 86 86 LEU CB C 86 42.000 42.000 44.123 -2.123 25137 5347 1 8 . 1 1 86 86 LEU H H 86 8.210 8.210 8.395 -0.185 25137 5348 1 8 . 1 1 87 87 ASP N N 87 117.260 117.260 118.995 -1.735 25137 5349 1 8 . 1 1 87 87 ASP HA H 87 4.535 4.535 4.481 0.054 25137 5350 1 8 . 1 1 87 87 ASP C C 87 178.351 178.351 178.608 -0.257 25137 5351 1 8 . 1 1 87 87 ASP CA C 87 56.010 56.010 56.375 -0.365 25137 5352 1 8 . 1 1 87 87 ASP CB C 87 41.400 41.400 40.911 0.489 25137 5353 1 8 . 1 1 87 87 ASP H H 87 8.290 8.290 8.224 0.066 25137 5354 1 8 . 1 1 88 88 ARG N N 88 120.750 120.750 121.759 -1.009 25137 5355 1 8 . 1 1 88 88 ARG HA H 88 4.015 4.015 4.038 -0.023 25137 5356 1 8 . 1 1 88 88 ARG C C 88 177.300 177.300 178.101 -0.801 25137 5357 1 8 . 1 1 88 88 ARG CA C 88 58.340 58.340 58.350 -0.010 25137 5358 1 8 . 1 1 88 88 ARG CB C 88 30.460 30.460 30.670 -0.210 25137 5359 1 8 . 1 1 88 88 ARG H H 88 8.040 8.040 8.295 -0.255 25137 5360 1 8 . 1 1 89 89 HIS N N 89 115.580 115.580 116.113 -0.533 25137 5361 1 8 . 1 1 89 89 HIS HA H 89 5.026 5.026 4.767 0.259 25137 5362 1 8 . 1 1 89 89 HIS C C 89 175.670 175.670 176.515 -0.845 25137 5363 1 8 . 1 1 89 89 HIS CA C 89 55.300 55.300 55.470 -0.170 25137 5364 1 8 . 1 1 89 89 HIS CB C 89 29.890 29.890 29.099 0.791 25137 5365 1 8 . 1 1 89 89 HIS H H 89 7.900 7.900 9.089 -1.189 25137 5366 1 8 . 1 1 90 90 GLY N N 90 108.320 108.320 109.101 -0.781 25137 5367 1 8 . 1 1 90 90 GLY C C 90 175.880 175.880 175.346 0.534 25137 5368 1 8 . 1 1 90 90 GLY CA C 90 48.310 48.310 47.076 1.234 25137 5369 1 8 . 1 1 90 90 GLY H H 90 7.790 7.790 7.611 0.179 25137 5370 1 8 . 1 1 91 91 GLU N N 91 120.490 120.490 120.252 0.238 25137 5371 1 8 . 1 1 91 91 GLU HA H 91 4.043 4.043 4.084 -0.041 25137 5372 1 8 . 1 1 91 91 GLU C C 91 178.410 178.410 178.477 -0.067 25137 5373 1 8 . 1 1 91 91 GLU CA C 91 59.200 59.200 58.448 0.752 25137 5374 1 8 . 1 1 91 91 GLU CB C 91 29.240 29.240 29.154 0.086 25137 5375 1 8 . 1 1 91 91 GLU H H 91 8.580 8.580 8.389 0.191 25137 5376 1 8 . 1 1 92 92 LEU N N 92 121.740 121.740 120.794 0.946 25137 5377 1 8 . 1 1 92 92 LEU HA H 92 4.048 4.048 4.092 -0.044 25137 5378 1 8 . 1 1 92 92 LEU C C 92 178.630 178.630 178.494 0.136 25137 5379 1 8 . 1 1 92 92 LEU CA C 92 57.690 57.690 57.724 -0.034 25137 5380 1 8 . 1 1 92 92 LEU CB C 92 41.820 41.820 41.943 -0.123 25137 5381 1 8 . 1 1 92 92 LEU H H 92 7.690 7.690 7.948 -0.258 25137 5382 1 8 . 1 1 93 93 LEU N N 93 117.310 117.310 117.007 0.303 25137 5383 1 8 . 1 1 93 93 LEU HA H 93 3.881 3.881 3.899 -0.018 25137 5384 1 8 . 1 1 93 93 LEU C C 93 174.967 174.967 178.996 -4.029 25137 5385 1 8 . 1 1 93 93 LEU CA C 93 57.940 57.940 58.051 -0.111 25137 5386 1 8 . 1 1 93 93 LEU CB C 93 40.640 40.640 40.657 -0.017 25137 5387 1 8 . 1 1 93 93 LEU H H 93 8.160 8.160 7.461 0.699 25137 5388 1 8 . 1 1 94 94 ARG N N 94 117.940 117.940 118.553 -0.613 25137 5389 1 8 . 1 1 94 94 ARG HA H 94 4.120 4.120 4.084 0.036 25137 5390 1 8 . 1 1 94 94 ARG C C 94 177.870 177.870 178.226 -0.356 25137 5391 1 8 . 1 1 94 94 ARG CA C 94 58.450 58.450 58.977 -0.527 25137 5392 1 8 . 1 1 94 94 ARG CB C 94 30.370 30.370 30.109 0.261 25137 5393 1 8 . 1 1 94 94 ARG H H 94 7.770 7.770 7.711 0.059 25137 5394 1 8 . 1 1 95 95 LYS N N 95 118.380 118.380 117.231 1.149 25137 5395 1 8 . 1 1 95 95 LYS HA H 95 4.160 4.160 4.182 -0.022 25137 5396 1 8 . 1 1 95 95 LYS C C 95 177.730 177.730 178.074 -0.344 25137 5397 1 8 . 1 1 95 95 LYS CA C 95 57.600 57.600 58.281 -0.681 25137 5398 1 8 . 1 1 95 95 LYS CB C 95 32.770 32.770 33.010 -0.240 25137 5399 1 8 . 1 1 95 95 LYS H H 95 7.640 7.640 7.566 0.074 25137 5400 1 8 . 1 1 96 96 ILE N N 96 120.160 120.160 118.097 2.063 25137 5401 1 8 . 1 1 96 96 ILE HA H 96 3.781 3.781 3.926 -0.145 25137 5402 1 8 . 1 1 96 96 ILE C C 96 175.840 175.840 175.578 0.262 25137 5403 1 8 . 1 1 96 96 ILE CA C 96 63.720 63.720 63.913 -0.193 25137 5404 1 8 . 1 1 96 96 ILE CB C 96 38.670 38.670 38.763 -0.093 25137 5405 1 8 . 1 1 96 96 ILE H H 96 7.980 7.980 7.522 0.458 25137 5406 1 8 . 1 1 97 97 ASP N N 97 120.510 120.510 119.054 1.456 25137 5407 1 8 . 1 1 97 97 ASP HA H 97 4.380 4.380 4.208 0.172 25137 5408 1 8 . 1 1 97 97 ASP C C 97 173.580 173.580 173.882 -0.302 25137 5409 1 8 . 1 1 97 97 ASP CA C 97 54.300 54.300 55.208 -0.908 25137 5410 1 8 . 1 1 97 97 ASP CB C 97 39.490 39.490 40.148 -0.657 25137 5411 1 8 . 1 1 97 97 ASP H H 97 8.160 8.160 7.885 0.275 25137 5412 1 8 . 1 1 98 98 ALA N N 98 123.800 123.800 123.208 0.592 25137 5413 1 8 . 1 1 98 98 ALA HA H 98 4.550 4.550 4.504 0.046 25137 5414 1 8 . 1 1 98 98 ALA CA C 98 49.860 49.860 50.749 -0.889 25137 5415 1 8 . 1 1 98 98 ALA CB C 98 21.070 21.070 20.318 0.752 25137 5416 1 8 . 1 1 98 98 ALA H H 98 7.680 7.680 8.096 -0.416 25137 5417 1 8 . 1 1 99 99 PRO HA H 99 4.370 4.370 4.468 -0.098 25137 5418 1 8 . 1 1 99 99 PRO C C 99 174.760 174.760 175.554 -0.794 25137 5419 1 8 . 1 1 99 99 PRO CA C 99 62.950 62.950 63.271 -0.321 25137 5420 1 8 . 1 1 99 99 PRO CB C 99 32.310 32.310 31.969 0.341 25137 5421 1 8 . 1 1 100 100 VAL N N 100 120.490 120.490 122.203 -1.713 25137 5422 1 8 . 1 1 100 100 VAL HA H 100 4.832 4.832 4.553 0.279 25137 5423 1 8 . 1 1 100 100 VAL C C 100 176.650 176.650 175.624 1.026 25137 5424 1 8 . 1 1 100 100 VAL CA C 100 60.450 60.450 61.605 -1.155 25137 5425 1 8 . 1 1 100 100 VAL CB C 100 34.830 34.830 34.243 0.587 25137 5426 1 8 . 1 1 100 100 VAL H H 100 8.270 8.270 8.273 -0.003 25137 5427 1 8 . 1 1 101 101 MET N N 101 127.420 127.420 126.884 0.536 25137 5428 1 8 . 1 1 101 101 MET HA H 101 4.705 4.705 4.674 0.031 25137 5429 1 8 . 1 1 101 101 MET C C 101 174.490 174.490 175.061 -0.571 25137 5430 1 8 . 1 1 101 101 MET CA C 101 54.730 54.730 54.179 0.551 25137 5431 1 8 . 1 1 101 101 MET CB C 101 34.560 34.560 34.400 0.160 25137 5432 1 8 . 1 1 101 101 MET H H 101 9.240 9.240 9.286 -0.046 25137 5433 1 8 . 1 1 102 102 ALA N N 102 128.590 128.590 127.451 1.139 25137 5434 1 8 . 1 1 102 102 ALA HA H 102 4.608 4.608 4.779 -0.171 25137 5435 1 8 . 1 1 102 102 ALA C C 102 177.935 177.935 177.063 0.872 25137 5436 1 8 . 1 1 102 102 ALA CA C 102 51.930 51.930 52.085 -0.155 25137 5437 1 8 . 1 1 102 102 ALA CB C 102 19.040 19.040 19.747 -0.707 25137 5438 1 8 . 1 1 102 102 ALA H H 102 8.760 8.760 8.467 0.293 25137 5439 1 8 . 1 1 103 103 LYS N N 103 120.200 120.200 124.679 -4.479 25137 5440 1 8 . 1 1 103 103 LYS HA H 103 4.284 4.284 5.053 -0.769 25137 5441 1 8 . 1 1 103 103 LYS CA C 103 54.370 54.370 54.239 0.131 25137 5442 1 8 . 1 1 103 103 LYS CB C 103 34.190 34.190 32.024 2.166 25137 5443 1 8 . 1 1 103 103 LYS H H 103 7.300 7.300 8.714 -1.414 25137 5444 1 8 . 1 1 104 104 PRO HA H 104 4.611 4.611 4.525 0.086 25137 5445 1 8 . 1 1 104 104 PRO C C 104 174.980 174.980 176.018 -1.038 25137 5446 1 8 . 1 1 104 104 PRO CA C 104 62.626 62.626 63.307 -0.681 25137 5447 1 8 . 1 1 104 104 PRO CB C 104 33.867 33.867 31.898 1.969 25137 5448 1 8 . 1 1 105 105 ALA N N 105 125.082 125.082 126.284 -1.202 25137 5449 1 8 . 1 1 105 105 ALA HA H 105 4.576 4.576 4.467 0.109 25137 5450 1 8 . 1 1 105 105 ALA C C 105 176.890 176.890 175.750 1.140 25137 5451 1 8 . 1 1 105 105 ALA CA C 105 51.177 51.177 50.782 0.395 25137 5452 1 8 . 1 1 105 105 ALA CB C 105 21.735 21.735 21.104 0.631 25137 5453 1 8 . 1 1 105 105 ALA H H 105 8.668 8.668 8.211 0.457 25137 5454 1 8 . 1 1 106 106 ASP N N 106 122.306 122.306 123.824 -1.518 25137 5455 1 8 . 1 1 106 106 ASP HA H 106 4.636 4.636 4.623 0.013 25137 5456 1 8 . 1 1 106 106 ASP C C 106 178.383 178.383 177.919 0.464 25137 5457 1 8 . 1 1 106 106 ASP CA C 106 54.312 54.312 54.517 -0.204 25137 5458 1 8 . 1 1 106 106 ASP CB C 106 41.260 41.260 42.338 -1.078 25137 5459 1 8 . 1 1 106 106 ASP H H 106 8.867 8.867 8.484 0.383 25137 5460 1 8 . 1 1 107 107 THR N N 107 119.540 119.540 119.308 0.232 25137 5461 1 8 . 1 1 107 107 THR HA H 107 3.573 3.573 4.079 -0.506 25137 5462 1 8 . 1 1 107 107 THR C C 107 176.393 176.393 176.361 0.032 25137 5463 1 8 . 1 1 107 107 THR CA C 107 65.940 65.940 65.442 0.498 25137 5464 1 8 . 1 1 107 107 THR CB C 107 68.191 68.191 68.622 -0.431 25137 5465 1 8 . 1 1 107 107 THR H H 107 8.658 8.658 8.514 0.144 25137 5466 1 8 . 1 1 108 108 SER N N 108 117.095 117.095 117.422 -0.327 25137 5467 1 8 . 1 1 108 108 SER HA H 108 4.140 4.140 4.056 0.084 25137 5468 1 8 . 1 1 108 108 SER C C 108 176.143 176.143 175.847 0.296 25137 5469 1 8 . 1 1 108 108 SER CA C 108 61.650 61.650 61.846 -0.196 25137 5470 1 8 . 1 1 108 108 SER CB C 108 62.450 62.450 62.990 -0.540 25137 5471 1 8 . 1 1 108 108 SER H H 108 8.480 8.480 8.273 0.207 25137 5472 1 8 . 1 1 109 109 ASP N N 109 122.520 122.520 122.201 0.319 25137 5473 1 8 . 1 1 109 109 ASP HA H 109 4.400 4.400 4.380 0.020 25137 5474 1 8 . 1 1 109 109 ASP C C 109 178.499 178.499 178.540 -0.041 25137 5475 1 8 . 1 1 109 109 ASP CA C 109 56.990 56.990 57.552 -0.562 25137 5476 1 8 . 1 1 109 109 ASP CB C 109 40.560 40.560 40.761 -0.201 25137 5477 1 8 . 1 1 109 109 ASP H H 109 7.350 7.350 7.662 -0.312 25137 5478 1 8 . 1 1 110 110 VAL N N 110 120.210 120.210 119.895 0.315 25137 5479 1 8 . 1 1 110 110 VAL HA H 110 3.262 3.262 3.771 -0.509 25137 5480 1 8 . 1 1 110 110 VAL C C 110 176.535 176.535 178.571 -2.036 25137 5481 1 8 . 1 1 110 110 VAL CA C 110 66.090 66.090 65.639 0.450 25137 5482 1 8 . 1 1 110 110 VAL CB C 110 31.400 31.400 30.800 0.600 25137 5483 1 8 . 1 1 110 110 VAL H H 110 7.440 7.440 8.175 -0.735 25137 5484 1 8 . 1 1 111 111 ALA N N 111 118.790 118.790 121.915 -3.125 25137 5485 1 8 . 1 1 111 111 ALA HA H 111 3.264 3.264 2.661 0.603 25137 5486 1 8 . 1 1 111 111 ALA C C 111 179.030 179.030 179.283 -0.253 25137 5487 1 8 . 1 1 111 111 ALA CA C 111 54.590 54.590 54.768 -0.178 25137 5488 1 8 . 1 1 111 111 ALA CB C 111 16.480 16.480 17.523 -1.042 25137 5489 1 8 . 1 1 111 111 ALA H H 111 7.610 7.610 7.759 -0.149 25137 5490 1 8 . 1 1 112 112 LYS N N 112 115.540 115.540 118.223 -2.683 25137 5491 1 8 . 1 1 112 112 LYS HA H 112 3.750 3.750 3.927 -0.177 25137 5492 1 8 . 1 1 112 112 LYS C C 112 179.470 179.470 179.318 0.152 25137 5493 1 8 . 1 1 112 112 LYS CA C 112 60.020 60.020 59.701 0.319 25137 5494 1 8 . 1 1 112 112 LYS CB C 112 32.680 32.680 32.296 0.384 25137 5495 1 8 . 1 1 112 112 LYS H H 112 7.840 7.840 7.908 -0.068 25137 5496 1 8 . 1 1 113 113 ARG N N 113 118.590 118.590 116.958 1.632 25137 5497 1 8 . 1 1 113 113 ARG HA H 113 4.021 4.021 4.433 -0.412 25137 5498 1 8 . 1 1 113 113 ARG C C 113 179.120 179.120 178.435 0.685 25137 5499 1 8 . 1 1 113 113 ARG CA C 113 58.180 58.180 57.294 0.886 25137 5500 1 8 . 1 1 113 113 ARG CB C 113 29.530 29.530 29.566 -0.036 25137 5501 1 8 . 1 1 113 113 ARG H H 113 7.860 7.860 8.050 -0.190 25137 5502 1 8 . 1 1 114 114 ALA N N 114 120.520 120.520 122.516 -1.996 25137 5503 1 8 . 1 1 114 114 ALA HA H 114 4.046 4.046 4.284 -0.237 25137 5504 1 8 . 1 1 114 114 ALA C C 114 179.280 179.280 179.789 -0.509 25137 5505 1 8 . 1 1 114 114 ALA CA C 114 55.070 55.070 54.786 0.284 25137 5506 1 8 . 1 1 114 114 ALA CB C 114 17.920 17.920 19.211 -1.291 25137 5507 1 8 . 1 1 114 114 ALA H H 114 8.190 8.190 7.534 0.656 25137 5508 1 8 . 1 1 115 115 LEU N N 115 115.820 115.820 119.561 -3.741 25137 5509 1 8 . 1 1 115 115 LEU HA H 115 4.225 4.225 4.212 0.013 25137 5510 1 8 . 1 1 115 115 LEU C C 115 180.490 180.490 179.621 0.869 25137 5511 1 8 . 1 1 115 115 LEU CA C 115 57.600 57.600 57.236 0.364 25137 5512 1 8 . 1 1 115 115 LEU CB C 115 40.590 40.590 41.902 -1.312 25137 5513 1 8 . 1 1 115 115 LEU H H 115 8.320 8.320 8.641 -0.321 25137 5514 1 8 . 1 1 116 116 GLU N N 116 119.789 119.789 119.608 0.181 25137 5515 1 8 . 1 1 116 116 GLU HA H 116 4.109 4.109 4.105 0.004 25137 5516 1 8 . 1 1 116 116 GLU C C 116 178.790 178.790 179.069 -0.279 25137 5517 1 8 . 1 1 116 116 GLU CA C 116 58.625 58.625 58.823 -0.198 25137 5518 1 8 . 1 1 116 116 GLU CB C 116 29.548 29.548 28.943 0.605 25137 5519 1 8 . 1 1 116 116 GLU H H 116 7.904 7.904 8.194 -0.290 25137 5520 1 8 . 1 1 117 117 MET N N 117 116.426 116.426 118.473 -2.047 25137 5521 1 8 . 1 1 117 117 MET HA H 117 4.245 4.245 4.389 -0.144 25137 5522 1 8 . 1 1 117 117 MET C C 117 176.890 176.890 176.670 0.220 25137 5523 1 8 . 1 1 117 117 MET CA C 117 57.638 57.638 57.875 -0.237 25137 5524 1 8 . 1 1 117 117 MET CB C 117 33.467 33.467 33.297 0.170 25137 5525 1 8 . 1 1 117 117 MET H H 117 7.712 7.712 7.704 0.008 25137 5526 1 8 . 1 1 118 118 CYS N N 118 113.993 113.993 115.121 -1.128 25137 5527 1 8 . 1 1 118 118 CYS HA H 118 4.699 4.699 4.768 -0.069 25137 5528 1 8 . 1 1 118 118 CYS C C 118 174.750 174.750 176.202 -1.452 25137 5529 1 8 . 1 1 118 118 CYS CA C 118 58.541 58.541 55.405 3.136 25137 5530 1 8 . 1 1 118 118 CYS CB C 118 28.552 28.552 26.502 2.050 25137 5531 1 8 . 1 1 118 118 CYS H H 118 7.428 7.428 7.369 0.059 25137 5532 1 8 . 1 1 119 119 GLY N N 119 109.823 109.823 109.674 0.149 25137 5533 1 8 . 1 1 119 119 GLY C C 119 174.660 174.660 174.976 -0.316 25137 5534 1 8 . 1 1 119 119 GLY CA C 119 45.709 45.709 45.956 -0.247 25137 5535 1 8 . 1 1 119 119 GLY H H 119 8.056 8.056 7.512 0.544 25137 5536 1 8 . 1 1 120 120 GLY N N 120 108.821 108.821 109.309 -0.488 25137 5537 1 8 . 1 1 120 120 GLY C C 120 173.790 173.790 174.684 -0.894 25137 5538 1 8 . 1 1 120 120 GLY CA C 120 45.326 45.326 44.556 0.770 25137 5539 1 8 . 1 1 120 120 GLY H H 120 8.301 8.301 8.067 0.234 25137 5540 1 8 . 1 1 121 121 ASP N N 121 120.383 120.383 123.159 -2.776 25137 5541 1 8 . 1 1 121 121 ASP HA H 121 4.591 4.591 4.636 -0.045 25137 5542 1 8 . 1 1 121 121 ASP C C 121 176.160 176.160 175.733 0.427 25137 5543 1 8 . 1 1 121 121 ASP CA C 121 54.313 54.313 54.309 0.004 25137 5544 1 8 . 1 1 121 121 ASP CB C 121 41.079 41.079 40.136 0.943 25137 5545 1 8 . 1 1 121 121 ASP H H 121 8.438 8.438 8.686 -0.248 25137 5546 1 8 . 1 1 122 122 LYS N N 122 121.450 121.450 122.433 -0.983 25137 5547 1 8 . 1 1 122 122 LYS HA H 122 4.350 4.350 4.337 0.013 25137 5548 1 8 . 1 1 122 122 LYS C C 122 177.184 177.184 175.700 1.484 25137 5549 1 8 . 1 1 122 122 LYS CA C 122 55.890 55.890 56.140 -0.250 25137 5550 1 8 . 1 1 122 122 LYS CB C 122 33.190 33.190 31.777 1.413 25137 5551 1 8 . 1 1 122 122 LYS H H 122 8.258 8.258 7.734 0.524 25137 5552 1 8 . 1 1 123 123 GLU N N 123 123.560 123.560 123.442 0.118 25137 5553 1 8 . 1 1 123 123 GLU HA H 123 4.550 4.550 4.582 -0.032 25137 5554 1 8 . 1 1 123 123 GLU CA C 123 54.470 54.470 53.626 0.844 25137 5555 1 8 . 1 1 123 123 GLU CB C 123 29.640 29.640 30.037 -0.397 25137 5556 1 8 . 1 1 123 123 GLU H H 123 8.420 8.420 7.840 0.580 25137 5557 1 8 . 1 1 124 124 PRO HA H 124 4.384 4.384 4.424 -0.040 25137 5558 1 8 . 1 1 124 124 PRO C C 124 175.770 175.770 175.854 -0.084 25137 5559 1 8 . 1 1 124 124 PRO CA C 124 63.350 63.350 63.280 0.070 25137 5560 1 8 . 1 1 124 124 PRO CB C 124 32.300 32.300 31.890 0.410 25137 5561 1 9 . 1 1 2 2 ALA N N 2 123.423 123.423 121.732 1.691 25137 5562 1 9 . 1 1 2 2 ALA HA H 2 4.357 4.357 4.088 0.269 25137 5563 1 9 . 1 1 2 2 ALA C C 2 177.811 177.811 177.011 0.800 25137 5564 1 9 . 1 1 2 2 ALA CA C 2 52.652 52.652 52.855 -0.203 25137 5565 1 9 . 1 1 2 2 ALA CB C 2 19.488 19.488 18.260 1.228 25137 5566 1 9 . 1 1 2 2 ALA H H 2 7.983 7.983 8.364 -0.381 25137 5567 1 9 . 1 1 3 3 MET N N 3 119.390 119.390 117.357 2.033 25137 5568 1 9 . 1 1 3 3 MET HA H 3 4.482 4.482 4.713 -0.231 25137 5569 1 9 . 1 1 3 3 MET C C 3 176.569 176.569 176.971 -0.402 25137 5570 1 9 . 1 1 3 3 MET CA C 3 55.570 55.570 54.178 1.392 25137 5571 1 9 . 1 1 3 3 MET CB C 3 32.900 32.900 33.665 -0.765 25137 5572 1 9 . 1 1 3 3 MET H H 3 8.570 8.570 7.773 0.797 25137 5573 1 9 . 1 1 4 4 GLY N N 4 110.130 110.130 107.612 2.518 25137 5574 1 9 . 1 1 4 4 GLY C C 4 173.630 173.630 173.598 0.032 25137 5575 1 9 . 1 1 4 4 GLY CA C 4 45.270 45.270 44.943 0.327 25137 5576 1 9 . 1 1 4 4 GLY H H 4 8.370 8.370 8.437 -0.067 25137 5577 1 9 . 1 1 5 5 MET N N 5 121.570 121.570 117.152 4.418 25137 5578 1 9 . 1 1 5 5 MET HA H 5 4.780 4.780 4.189 0.591 25137 5579 1 9 . 1 1 5 5 MET CA C 5 53.630 53.630 55.862 -2.232 25137 5580 1 9 . 1 1 5 5 MET CB C 5 33.140 33.140 31.423 1.717 25137 5581 1 9 . 1 1 5 5 MET H H 5 8.210 8.210 7.803 0.407 25137 5582 1 9 . 1 1 6 6 PRO HA H 6 4.505 4.505 4.660 -0.155 25137 5583 1 9 . 1 1 6 6 PRO C C 6 174.520 174.520 175.829 -1.309 25137 5584 1 9 . 1 1 6 6 PRO CA C 6 62.980 62.980 62.359 0.621 25137 5585 1 9 . 1 1 6 6 PRO CB C 6 32.400 32.400 32.644 -0.244 25137 5586 1 9 . 1 1 7 7 LYS N N 7 123.443 123.443 124.724 -1.281 25137 5587 1 9 . 1 1 7 7 LYS HA H 7 5.000 5.000 4.705 0.295 25137 5588 1 9 . 1 1 7 7 LYS C C 7 175.920 175.920 176.080 -0.160 25137 5589 1 9 . 1 1 7 7 LYS CA C 7 54.911 54.911 55.288 -0.377 25137 5590 1 9 . 1 1 7 7 LYS CB C 7 33.635 33.635 32.669 0.966 25137 5591 1 9 . 1 1 7 7 LYS H H 7 9.675 9.675 9.310 0.365 25137 5592 1 9 . 1 1 8 8 VAL N N 8 125.859 125.859 127.758 -1.899 25137 5593 1 9 . 1 1 8 8 VAL HA H 8 4.723 4.723 4.972 -0.249 25137 5594 1 9 . 1 1 8 8 VAL C C 8 174.630 174.630 174.215 0.415 25137 5595 1 9 . 1 1 8 8 VAL CA C 8 59.726 59.726 61.210 -1.484 25137 5596 1 9 . 1 1 8 8 VAL CB C 8 34.991 34.991 33.172 1.819 25137 5597 1 9 . 1 1 8 8 VAL H H 8 8.851 8.851 9.125 -0.274 25137 5598 1 9 . 1 1 9 9 LEU N N 9 127.114 127.114 129.705 -2.591 25137 5599 1 9 . 1 1 9 9 LEU HA H 9 5.190 5.190 4.983 0.207 25137 5600 1 9 . 1 1 9 9 LEU C C 9 174.090 174.090 174.674 -0.584 25137 5601 1 9 . 1 1 9 9 LEU CA C 9 53.090 53.090 53.216 -0.126 25137 5602 1 9 . 1 1 9 9 LEU CB C 9 45.007 45.007 44.176 0.831 25137 5603 1 9 . 1 1 9 9 LEU H H 9 7.881 7.881 8.714 -0.833 25137 5604 1 9 . 1 1 10 10 VAL N N 10 128.024 128.024 128.295 -0.271 25137 5605 1 9 . 1 1 10 10 VAL HA H 10 4.647 4.647 4.481 0.166 25137 5606 1 9 . 1 1 10 10 VAL C C 10 172.900 172.900 174.142 -1.242 25137 5607 1 9 . 1 1 10 10 VAL CA C 10 61.206 61.206 62.226 -1.020 25137 5608 1 9 . 1 1 10 10 VAL CB C 10 34.541 34.541 33.206 1.335 25137 5609 1 9 . 1 1 10 10 VAL H H 10 8.952 8.952 9.219 -0.267 25137 5610 1 9 . 1 1 11 11 LEU N N 11 128.979 128.979 129.756 -0.777 25137 5611 1 9 . 1 1 11 11 LEU HA H 11 5.504 5.504 5.406 0.098 25137 5612 1 9 . 1 1 11 11 LEU C C 11 174.450 174.450 175.134 -0.684 25137 5613 1 9 . 1 1 11 11 LEU CA C 11 52.328 52.328 52.987 -0.659 25137 5614 1 9 . 1 1 11 11 LEU CB C 11 45.000 45.000 41.678 3.322 25137 5615 1 9 . 1 1 11 11 LEU H H 11 8.433 8.433 9.188 -0.755 25137 5616 1 9 . 1 1 12 12 GLU N N 12 128.158 128.158 123.858 4.300 25137 5617 1 9 . 1 1 12 12 GLU HA H 12 4.294 4.294 4.610 -0.316 25137 5618 1 9 . 1 1 12 12 GLU C C 12 173.120 173.120 174.764 -1.644 25137 5619 1 9 . 1 1 12 12 GLU CA C 12 56.964 56.964 55.977 0.987 25137 5620 1 9 . 1 1 12 12 GLU CB C 12 32.201 32.201 32.520 -0.320 25137 5621 1 9 . 1 1 12 12 GLU H H 12 8.532 8.532 8.685 -0.153 25137 5622 1 9 . 1 1 13 13 ASP N N 13 123.077 123.077 125.989 -2.912 25137 5623 1 9 . 1 1 13 13 ASP HA H 13 4.659 4.659 4.625 0.034 25137 5624 1 9 . 1 1 13 13 ASP C C 13 176.090 176.090 176.534 -0.444 25137 5625 1 9 . 1 1 13 13 ASP CA C 13 55.140 55.140 55.391 -0.251 25137 5626 1 9 . 1 1 13 13 ASP CB C 13 40.524 40.524 41.568 -1.044 25137 5627 1 9 . 1 1 13 13 ASP H H 13 8.803 8.803 8.734 0.069 25137 5628 1 9 . 1 1 14 14 GLU N N 14 126.685 126.685 121.276 5.409 25137 5629 1 9 . 1 1 14 14 GLU HA H 14 4.809 4.809 4.579 0.230 25137 5630 1 9 . 1 1 14 14 GLU CA C 14 54.574 54.574 54.630 -0.056 25137 5631 1 9 . 1 1 14 14 GLU CB C 14 29.310 29.310 29.651 -0.341 25137 5632 1 9 . 1 1 14 14 GLU H H 14 10.077 10.077 8.590 1.487 25137 5633 1 9 . 1 1 15 15 PRO HA H 15 4.273 4.273 4.176 0.097 25137 5634 1 9 . 1 1 15 15 PRO C C 15 179.110 179.110 178.114 0.996 25137 5635 1 9 . 1 1 15 15 PRO CA C 15 65.472 65.472 65.668 -0.196 25137 5636 1 9 . 1 1 15 15 PRO CB C 15 32.462 32.462 31.788 0.674 25137 5637 1 9 . 1 1 16 16 LEU N N 16 118.358 118.358 118.745 -0.387 25137 5638 1 9 . 1 1 16 16 LEU HA H 16 4.131 4.131 4.132 -0.001 25137 5639 1 9 . 1 1 16 16 LEU C C 16 179.260 179.260 178.495 0.765 25137 5640 1 9 . 1 1 16 16 LEU CA C 16 58.306 58.306 58.185 0.121 25137 5641 1 9 . 1 1 16 16 LEU CB C 16 41.731 41.731 41.335 0.396 25137 5642 1 9 . 1 1 16 16 LEU H H 16 8.851 8.851 8.137 0.714 25137 5643 1 9 . 1 1 17 17 ILE N N 17 117.680 117.680 119.229 -1.549 25137 5644 1 9 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.609 0.223 25137 5645 1 9 . 1 1 17 17 ILE C C 17 178.230 178.230 178.018 0.212 25137 5646 1 9 . 1 1 17 17 ILE CA C 17 63.344 63.344 65.048 -1.704 25137 5647 1 9 . 1 1 17 17 ILE CB C 17 36.564 36.564 37.407 -0.844 25137 5648 1 9 . 1 1 17 17 ILE H H 17 6.886 6.886 7.428 -0.542 25137 5649 1 9 . 1 1 18 18 ALA N N 18 122.321 122.321 122.835 -0.514 25137 5650 1 9 . 1 1 18 18 ALA HA H 18 3.720 3.720 3.941 -0.221 25137 5651 1 9 . 1 1 18 18 ALA C C 18 178.900 178.900 179.382 -0.482 25137 5652 1 9 . 1 1 18 18 ALA CA C 18 55.890 55.890 55.386 0.504 25137 5653 1 9 . 1 1 18 18 ALA CB C 18 18.165 18.165 18.262 -0.097 25137 5654 1 9 . 1 1 18 18 ALA H H 18 7.988 7.988 8.566 -0.578 25137 5655 1 9 . 1 1 19 19 MET N N 19 115.807 115.807 118.375 -2.568 25137 5656 1 9 . 1 1 19 19 MET HA H 19 3.999 3.999 4.090 -0.090 25137 5657 1 9 . 1 1 19 19 MET C C 19 177.180 177.180 177.957 -0.777 25137 5658 1 9 . 1 1 19 19 MET CA C 19 58.144 58.144 58.850 -0.706 25137 5659 1 9 . 1 1 19 19 MET CB C 19 32.852 32.852 32.657 0.195 25137 5660 1 9 . 1 1 19 19 MET H H 19 8.204 8.204 8.531 -0.327 25137 5661 1 9 . 1 1 20 20 ASN N N 20 117.843 117.843 119.142 -1.299 25137 5662 1 9 . 1 1 20 20 ASN HA H 20 4.545 4.545 4.645 -0.100 25137 5663 1 9 . 1 1 20 20 ASN C C 20 179.590 179.590 178.266 1.324 25137 5664 1 9 . 1 1 20 20 ASN CA C 20 56.222 56.222 56.103 0.119 25137 5665 1 9 . 1 1 20 20 ASN CB C 20 38.005 38.005 38.528 -0.523 25137 5666 1 9 . 1 1 20 20 ASN H H 20 7.839 7.839 8.059 -0.220 25137 5667 1 9 . 1 1 21 21 LEU N N 21 121.749 121.749 121.479 0.270 25137 5668 1 9 . 1 1 21 21 LEU HA H 21 4.055 4.055 4.059 -0.004 25137 5669 1 9 . 1 1 21 21 LEU C C 21 177.750 177.750 178.750 -1.000 25137 5670 1 9 . 1 1 21 21 LEU CA C 21 58.268 58.268 58.359 -0.091 25137 5671 1 9 . 1 1 21 21 LEU CB C 21 42.605 42.605 41.898 0.707 25137 5672 1 9 . 1 1 21 21 LEU H H 21 8.601 8.601 8.692 -0.091 25137 5673 1 9 . 1 1 22 22 GLN N N 22 120.991 120.991 119.551 1.440 25137 5674 1 9 . 1 1 22 22 GLN HA H 22 3.935 3.935 3.933 0.002 25137 5675 1 9 . 1 1 22 22 GLN C C 22 178.070 178.070 178.580 -0.510 25137 5676 1 9 . 1 1 22 22 GLN CA C 22 60.463 60.463 59.424 1.039 25137 5677 1 9 . 1 1 22 22 GLN CB C 22 26.902 26.902 28.508 -1.605 25137 5678 1 9 . 1 1 22 22 GLN H H 22 8.749 8.749 8.238 0.511 25137 5679 1 9 . 1 1 23 23 TYR N N 23 117.446 117.446 118.430 -0.984 25137 5680 1 9 . 1 1 23 23 TYR HA H 23 4.517 4.517 4.655 -0.138 25137 5681 1 9 . 1 1 23 23 TYR C C 23 178.210 178.210 178.389 -0.179 25137 5682 1 9 . 1 1 23 23 TYR CA C 23 59.425 59.425 59.568 -0.143 25137 5683 1 9 . 1 1 23 23 TYR CB C 23 36.975 36.975 37.711 -0.736 25137 5684 1 9 . 1 1 23 23 TYR H H 23 8.450 8.450 8.386 0.064 25137 5685 1 9 . 1 1 24 24 ALA N N 24 121.627 121.627 123.153 -1.526 25137 5686 1 9 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.009 0.091 25137 5687 1 9 . 1 1 24 24 ALA C C 24 180.910 180.910 179.302 1.608 25137 5688 1 9 . 1 1 24 24 ALA CA C 24 55.060 55.060 55.009 0.051 25137 5689 1 9 . 1 1 24 24 ALA CB C 24 18.070 18.070 18.078 -0.008 25137 5690 1 9 . 1 1 24 24 ALA H H 24 7.765 7.765 7.911 -0.146 25137 5691 1 9 . 1 1 25 25 PHE N N 25 115.589 115.589 117.613 -2.024 25137 5692 1 9 . 1 1 25 25 PHE HA H 25 3.940 3.940 4.112 -0.172 25137 5693 1 9 . 1 1 25 25 PHE C C 25 179.090 179.090 178.448 0.642 25137 5694 1 9 . 1 1 25 25 PHE CA C 25 63.453 63.453 62.524 0.929 25137 5695 1 9 . 1 1 25 25 PHE CB C 25 39.484 39.484 38.874 0.610 25137 5696 1 9 . 1 1 25 25 PHE H H 25 8.348 8.348 8.579 -0.231 25137 5697 1 9 . 1 1 26 26 GLU N N 26 121.198 121.198 119.769 1.429 25137 5698 1 9 . 1 1 26 26 GLU HA H 26 4.429 4.429 4.416 0.013 25137 5699 1 9 . 1 1 26 26 GLU C C 26 181.680 181.680 179.568 2.112 25137 5700 1 9 . 1 1 26 26 GLU CA C 26 59.737 59.737 58.815 0.923 25137 5701 1 9 . 1 1 26 26 GLU CB C 26 28.925 28.925 29.479 -0.554 25137 5702 1 9 . 1 1 26 26 GLU H H 26 8.822 8.822 8.266 0.556 25137 5703 1 9 . 1 1 27 27 ASP N N 27 121.846 121.846 120.397 1.449 25137 5704 1 9 . 1 1 27 27 ASP HA H 27 4.468 4.468 4.484 -0.016 25137 5705 1 9 . 1 1 27 27 ASP C C 27 177.880 177.880 177.432 0.448 25137 5706 1 9 . 1 1 27 27 ASP CA C 27 56.996 56.996 56.688 0.308 25137 5707 1 9 . 1 1 27 27 ASP CB C 27 40.640 40.640 40.904 -0.264 25137 5708 1 9 . 1 1 27 27 ASP H H 27 8.424 8.424 8.152 0.272 25137 5709 1 9 . 1 1 28 28 GLU N N 28 115.759 115.759 116.138 -0.379 25137 5710 1 9 . 1 1 28 28 GLU HA H 28 4.331 4.331 4.355 -0.024 25137 5711 1 9 . 1 1 28 28 GLU C C 28 176.460 176.460 176.968 -0.508 25137 5712 1 9 . 1 1 28 28 GLU CA C 28 55.395 55.395 56.040 -0.645 25137 5713 1 9 . 1 1 28 28 GLU CB C 28 30.264 30.264 29.634 0.630 25137 5714 1 9 . 1 1 28 28 GLU H H 28 7.170 7.170 7.618 -0.448 25137 5715 1 9 . 1 1 29 29 GLY N N 29 106.899 106.899 107.510 -0.611 25137 5716 1 9 . 1 1 29 29 GLY C C 29 173.160 173.160 172.816 0.344 25137 5717 1 9 . 1 1 29 29 GLY CA C 29 45.589 45.589 45.427 0.162 25137 5718 1 9 . 1 1 29 29 GLY H H 29 7.889 7.889 7.828 0.061 25137 5719 1 9 . 1 1 30 30 ALA N N 30 121.007 121.007 120.402 0.605 25137 5720 1 9 . 1 1 30 30 ALA HA H 30 4.680 4.680 4.680 -0.000 25137 5721 1 9 . 1 1 30 30 ALA C C 30 175.880 175.880 174.964 0.916 25137 5722 1 9 . 1 1 30 30 ALA CA C 30 50.666 50.666 50.957 -0.291 25137 5723 1 9 . 1 1 30 30 ALA CB C 30 21.882 21.882 22.194 -0.312 25137 5724 1 9 . 1 1 30 30 ALA H H 30 7.743 7.743 7.600 0.143 25137 5725 1 9 . 1 1 31 31 GLU N N 31 120.065 120.065 120.136 -0.071 25137 5726 1 9 . 1 1 31 31 GLU HA H 31 4.664 4.664 4.710 -0.046 25137 5727 1 9 . 1 1 31 31 GLU C C 31 175.430 175.430 174.444 0.986 25137 5728 1 9 . 1 1 31 31 GLU CA C 31 55.136 55.136 55.365 -0.229 25137 5729 1 9 . 1 1 31 31 GLU CB C 31 32.126 32.126 32.283 -0.157 25137 5730 1 9 . 1 1 31 31 GLU H H 31 8.595 8.595 8.574 0.021 25137 5731 1 9 . 1 1 32 32 VAL N N 32 123.414 123.414 125.285 -1.871 25137 5732 1 9 . 1 1 32 32 VAL HA H 32 4.787 4.787 4.739 0.048 25137 5733 1 9 . 1 1 32 32 VAL C C 32 175.290 175.290 175.543 -0.253 25137 5734 1 9 . 1 1 32 32 VAL CA C 32 60.802 60.802 60.621 0.181 25137 5735 1 9 . 1 1 32 32 VAL CB C 32 34.991 34.991 33.808 1.183 25137 5736 1 9 . 1 1 32 32 VAL H H 32 8.872 8.872 8.485 0.387 25137 5737 1 9 . 1 1 33 33 VAL N N 33 128.158 128.158 128.106 0.052 25137 5738 1 9 . 1 1 33 33 VAL HA H 33 4.226 4.226 4.342 -0.116 25137 5739 1 9 . 1 1 33 33 VAL C C 33 173.830 173.830 174.434 -0.604 25137 5740 1 9 . 1 1 33 33 VAL CA C 33 60.990 60.990 60.582 0.408 25137 5741 1 9 . 1 1 33 33 VAL CB C 33 33.736 33.736 33.287 0.449 25137 5742 1 9 . 1 1 33 33 VAL H H 33 9.042 9.042 9.258 -0.216 25137 5743 1 9 . 1 1 34 34 VAL N N 34 126.239 126.239 127.856 -1.617 25137 5744 1 9 . 1 1 34 34 VAL HA H 34 4.751 4.751 4.182 0.569 25137 5745 1 9 . 1 1 34 34 VAL C C 34 175.100 175.100 175.136 -0.036 25137 5746 1 9 . 1 1 34 34 VAL CA C 34 61.389 61.389 61.724 -0.335 25137 5747 1 9 . 1 1 34 34 VAL CB C 34 33.193 33.193 32.114 1.079 25137 5748 1 9 . 1 1 34 34 VAL H H 34 8.522 8.522 8.643 -0.121 25137 5749 1 9 . 1 1 35 35 ALA N N 35 129.955 129.955 129.607 0.348 25137 5750 1 9 . 1 1 35 35 ALA HA H 35 4.682 4.682 5.048 -0.366 25137 5751 1 9 . 1 1 35 35 ALA C C 35 174.380 174.380 175.857 -1.477 25137 5752 1 9 . 1 1 35 35 ALA CA C 35 50.154 50.154 49.894 0.260 25137 5753 1 9 . 1 1 35 35 ALA CB C 35 22.922 22.922 22.681 0.241 25137 5754 1 9 . 1 1 35 35 ALA H H 35 9.388 9.388 8.960 0.428 25137 5755 1 9 . 1 1 36 36 ALA N N 36 121.011 121.011 125.473 -4.462 25137 5756 1 9 . 1 1 36 36 ALA HA H 36 4.632 4.632 4.721 -0.089 25137 5757 1 9 . 1 1 36 36 ALA C C 36 176.490 176.490 176.830 -0.340 25137 5758 1 9 . 1 1 36 36 ALA CA C 36 51.778 51.778 52.718 -0.940 25137 5759 1 9 . 1 1 36 36 ALA CB C 36 21.506 21.506 20.324 1.182 25137 5760 1 9 . 1 1 36 36 ALA H H 36 8.539 8.539 9.490 -0.951 25137 5761 1 9 . 1 1 37 37 THR N N 37 102.880 102.880 108.199 -5.319 25137 5762 1 9 . 1 1 37 37 THR HA H 37 4.620 4.620 4.555 0.065 25137 5763 1 9 . 1 1 37 37 THR C C 37 174.710 174.710 175.470 -0.760 25137 5764 1 9 . 1 1 37 37 THR CA C 37 57.520 57.520 59.768 -2.248 25137 5765 1 9 . 1 1 37 37 THR CB C 37 72.972 72.972 72.264 0.708 25137 5766 1 9 . 1 1 37 37 THR H H 37 7.019 7.019 7.365 -0.346 25137 5767 1 9 . 1 1 38 38 CYS N N 38 120.553 120.553 121.083 -0.530 25137 5768 1 9 . 1 1 38 38 CYS HA H 38 3.677 3.677 4.075 -0.398 25137 5769 1 9 . 1 1 38 38 CYS C C 38 176.020 176.020 176.902 -0.882 25137 5770 1 9 . 1 1 38 38 CYS CA C 38 63.179 63.179 63.721 -0.542 25137 5771 1 9 . 1 1 38 38 CYS CB C 38 26.317 26.317 27.496 -1.179 25137 5772 1 9 . 1 1 38 38 CYS H H 38 9.398 9.398 8.909 0.489 25137 5773 1 9 . 1 1 39 39 GLU N N 39 118.521 118.521 120.201 -1.680 25137 5774 1 9 . 1 1 39 39 GLU HA H 39 3.829 3.829 3.932 -0.103 25137 5775 1 9 . 1 1 39 39 GLU C C 39 179.470 179.470 179.153 0.317 25137 5776 1 9 . 1 1 39 39 GLU CA C 39 60.594 60.594 59.767 0.827 25137 5777 1 9 . 1 1 39 39 GLU CB C 39 28.963 28.963 29.199 -0.236 25137 5778 1 9 . 1 1 39 39 GLU H H 39 8.960 8.960 8.602 0.358 25137 5779 1 9 . 1 1 40 40 GLN N N 40 118.602 118.602 118.914 -0.312 25137 5780 1 9 . 1 1 40 40 GLN HA H 40 4.021 4.021 3.997 0.024 25137 5781 1 9 . 1 1 40 40 GLN C C 40 176.211 176.211 178.413 -2.202 25137 5782 1 9 . 1 1 40 40 GLN CA C 40 58.306 58.306 58.654 -0.348 25137 5783 1 9 . 1 1 40 40 GLN CB C 40 28.925 28.925 28.570 0.355 25137 5784 1 9 . 1 1 40 40 GLN H H 40 7.855 7.855 8.032 -0.177 25137 5785 1 9 . 1 1 41 41 ALA N N 41 122.395 122.395 123.306 -0.911 25137 5786 1 9 . 1 1 41 41 ALA HA H 41 3.735 3.735 3.948 -0.213 25137 5787 1 9 . 1 1 41 41 ALA C C 41 178.440 178.440 179.461 -1.021 25137 5788 1 9 . 1 1 41 41 ALA CA C 41 55.178 55.178 55.299 -0.121 25137 5789 1 9 . 1 1 41 41 ALA CB C 41 19.872 19.872 18.412 1.460 25137 5790 1 9 . 1 1 41 41 ALA H H 41 8.009 8.009 7.854 0.154 25137 5791 1 9 . 1 1 42 42 LEU N N 42 116.832 116.832 118.210 -1.378 25137 5792 1 9 . 1 1 42 42 LEU HA H 42 3.875 3.875 3.839 0.036 25137 5793 1 9 . 1 1 42 42 LEU C C 42 180.080 180.080 179.130 0.950 25137 5794 1 9 . 1 1 42 42 LEU CA C 42 58.011 58.011 57.620 0.391 25137 5795 1 9 . 1 1 42 42 LEU CB C 42 40.961 40.961 41.258 -0.297 25137 5796 1 9 . 1 1 42 42 LEU H H 42 8.497 8.497 8.596 -0.099 25137 5797 1 9 . 1 1 43 43 LYS N N 43 121.087 121.087 120.045 1.042 25137 5798 1 9 . 1 1 43 43 LYS HA H 43 4.065 4.065 3.965 0.100 25137 5799 1 9 . 1 1 43 43 LYS C C 43 178.500 178.500 178.978 -0.478 25137 5800 1 9 . 1 1 43 43 LYS CA C 43 59.256 59.256 59.099 0.157 25137 5801 1 9 . 1 1 43 43 LYS CB C 43 32.295 32.295 31.939 0.355 25137 5802 1 9 . 1 1 43 43 LYS H H 43 7.593 7.593 7.734 -0.141 25137 5803 1 9 . 1 1 44 44 SER N N 44 115.150 115.150 115.359 -0.209 25137 5804 1 9 . 1 1 44 44 SER HA H 44 4.130 4.130 4.231 -0.101 25137 5805 1 9 . 1 1 44 44 SER C C 44 176.430 176.430 176.846 -0.416 25137 5806 1 9 . 1 1 44 44 SER CA C 44 62.900 62.900 61.459 1.441 25137 5807 1 9 . 1 1 44 44 SER CB C 44 62.900 62.900 62.888 0.012 25137 5808 1 9 . 1 1 44 44 SER H H 44 8.100 8.100 7.904 0.196 25137 5809 1 9 . 1 1 45 45 LEU N N 45 120.050 120.050 122.432 -2.382 25137 5810 1 9 . 1 1 45 45 LEU HA H 45 4.121 4.121 3.997 0.124 25137 5811 1 9 . 1 1 45 45 LEU C C 45 177.260 177.260 177.509 -0.249 25137 5812 1 9 . 1 1 45 45 LEU CA C 45 56.770 56.770 57.665 -0.895 25137 5813 1 9 . 1 1 45 45 LEU CB C 45 42.389 42.389 41.849 0.540 25137 5814 1 9 . 1 1 45 45 LEU H H 45 8.050 8.050 8.313 -0.263 25137 5815 1 9 . 1 1 46 46 ALA N N 46 119.940 119.940 119.311 0.629 25137 5816 1 9 . 1 1 46 46 ALA HA H 46 4.093 4.093 4.067 0.026 25137 5817 1 9 . 1 1 46 46 ALA C C 46 179.310 179.310 179.592 -0.282 25137 5818 1 9 . 1 1 46 46 ALA CA C 46 54.126 54.126 54.357 -0.231 25137 5819 1 9 . 1 1 46 46 ALA CB C 46 18.412 18.412 18.508 -0.095 25137 5820 1 9 . 1 1 46 46 ALA H H 46 7.360 7.360 7.377 -0.017 25137 5821 1 9 . 1 1 47 47 ASP N N 47 115.277 115.277 119.022 -3.745 25137 5822 1 9 . 1 1 47 47 ASP HA H 47 4.610 4.610 4.556 0.054 25137 5823 1 9 . 1 1 47 47 ASP C C 47 175.930 175.930 176.839 -0.909 25137 5824 1 9 . 1 1 47 47 ASP CA C 47 55.087 55.087 55.959 -0.872 25137 5825 1 9 . 1 1 47 47 ASP CB C 47 42.364 42.364 41.771 0.593 25137 5826 1 9 . 1 1 47 47 ASP H H 47 7.583 7.583 8.310 -0.727 25137 5827 1 9 . 1 1 48 48 ASN N N 48 116.977 116.977 116.486 0.491 25137 5828 1 9 . 1 1 48 48 ASN HA H 48 5.219 5.219 5.136 0.083 25137 5829 1 9 . 1 1 48 48 ASN CA C 48 51.096 51.096 51.028 0.068 25137 5830 1 9 . 1 1 48 48 ASN CB C 48 42.381 42.381 40.044 2.337 25137 5831 1 9 . 1 1 48 48 ASN H H 48 7.727 7.727 8.298 -0.571 25137 5832 1 9 . 1 1 49 49 PRO HA H 49 4.551 4.551 4.620 -0.069 25137 5833 1 9 . 1 1 49 49 PRO C C 49 174.890 174.890 175.461 -0.571 25137 5834 1 9 . 1 1 49 49 PRO CA C 49 62.093 62.093 62.172 -0.079 25137 5835 1 9 . 1 1 49 49 PRO CB C 49 29.940 29.940 31.047 -1.107 25137 5836 1 9 . 1 1 50 50 ILE N N 50 122.280 122.280 123.199 -0.919 25137 5837 1 9 . 1 1 50 50 ILE HA H 50 3.908 3.908 3.982 -0.074 25137 5838 1 9 . 1 1 50 50 ILE C C 50 174.840 174.840 176.673 -1.833 25137 5839 1 9 . 1 1 50 50 ILE CA C 50 58.580 58.580 61.027 -2.447 25137 5840 1 9 . 1 1 50 50 ILE CB C 50 38.850 38.850 36.885 1.965 25137 5841 1 9 . 1 1 50 50 ILE H H 50 7.420 7.420 7.856 -0.436 25137 5842 1 9 . 1 1 51 51 ASP N N 51 123.770 123.770 127.849 -4.079 25137 5843 1 9 . 1 1 51 51 ASP HA H 51 4.749 4.749 4.721 0.028 25137 5844 1 9 . 1 1 51 51 ASP C C 51 175.114 175.114 175.902 -0.788 25137 5845 1 9 . 1 1 51 51 ASP CA C 51 56.930 56.930 56.110 0.820 25137 5846 1 9 . 1 1 51 51 ASP CB C 51 44.360 44.360 43.046 1.314 25137 5847 1 9 . 1 1 51 51 ASP H H 51 9.310 9.310 8.754 0.556 25137 5848 1 9 . 1 1 52 52 VAL N N 52 114.454 114.454 118.309 -3.855 25137 5849 1 9 . 1 1 52 52 VAL HA H 52 4.874 4.874 4.872 0.002 25137 5850 1 9 . 1 1 52 52 VAL C C 52 171.129 171.129 172.998 -1.869 25137 5851 1 9 . 1 1 52 52 VAL CA C 52 59.850 59.850 60.135 -0.285 25137 5852 1 9 . 1 1 52 52 VAL CB C 52 32.980 32.980 35.884 -2.904 25137 5853 1 9 . 1 1 52 52 VAL H H 52 7.580 7.580 7.622 -0.042 25137 5854 1 9 . 1 1 53 53 ALA N N 53 124.620 124.620 126.718 -2.098 25137 5855 1 9 . 1 1 53 53 ALA HA H 53 5.665 5.665 5.306 0.359 25137 5856 1 9 . 1 1 53 53 ALA C C 53 175.100 175.100 175.105 -0.005 25137 5857 1 9 . 1 1 53 53 ALA CA C 53 49.810 49.810 50.034 -0.224 25137 5858 1 9 . 1 1 53 53 ALA CB C 53 25.750 25.750 22.856 2.894 25137 5859 1 9 . 1 1 53 53 ALA H H 53 7.780 7.780 8.675 -0.895 25137 5860 1 9 . 1 1 54 54 VAL N N 54 118.950 118.950 116.999 1.951 25137 5861 1 9 . 1 1 54 54 VAL HA H 54 4.647 4.647 4.906 -0.259 25137 5862 1 9 . 1 1 54 54 VAL C C 54 174.020 174.020 174.078 -0.058 25137 5863 1 9 . 1 1 54 54 VAL CA C 54 61.580 61.580 60.553 1.027 25137 5864 1 9 . 1 1 54 54 VAL CB C 54 34.320 34.320 33.560 0.760 25137 5865 1 9 . 1 1 54 54 VAL H H 54 8.730 8.730 9.008 -0.278 25137 5866 1 9 . 1 1 55 55 LEU N N 55 124.820 124.820 128.674 -3.854 25137 5867 1 9 . 1 1 55 55 LEU HA H 55 4.953 4.953 4.666 0.287 25137 5868 1 9 . 1 1 55 55 LEU C C 55 176.110 176.110 175.890 0.220 25137 5869 1 9 . 1 1 55 55 LEU CA C 55 53.540 53.540 53.923 -0.383 25137 5870 1 9 . 1 1 55 55 LEU CB C 55 42.690 42.690 42.098 0.592 25137 5871 1 9 . 1 1 55 55 LEU H H 55 9.240 9.240 9.265 -0.025 25137 5872 1 9 . 1 1 56 56 ASP N N 56 124.220 124.220 126.839 -2.619 25137 5873 1 9 . 1 1 56 56 ASP HA H 56 5.629 5.629 4.935 0.694 25137 5874 1 9 . 1 1 56 56 ASP C C 56 174.460 174.460 176.996 -2.536 25137 5875 1 9 . 1 1 56 56 ASP CA C 56 52.930 52.930 54.800 -1.870 25137 5876 1 9 . 1 1 56 56 ASP CB C 56 43.400 43.400 40.089 3.311 25137 5877 1 9 . 1 1 56 56 ASP H H 56 8.360 8.360 8.713 -0.353 25137 5878 1 9 . 1 1 57 57 VAL N N 57 119.581 119.581 121.465 -1.884 25137 5879 1 9 . 1 1 57 57 VAL HA H 57 4.239 4.239 3.637 0.602 25137 5880 1 9 . 1 1 57 57 VAL C C 57 175.480 175.480 176.839 -1.359 25137 5881 1 9 . 1 1 57 57 VAL CA C 57 64.564 64.564 65.374 -0.810 25137 5882 1 9 . 1 1 57 57 VAL CB C 57 32.520 32.520 31.523 0.997 25137 5883 1 9 . 1 1 57 57 VAL H H 57 7.022 7.022 7.783 -0.761 25137 5884 1 9 . 1 1 58 58 ASN N N 58 114.490 114.490 116.811 -2.321 25137 5885 1 9 . 1 1 58 58 ASN HA H 58 4.693 4.693 4.567 0.126 25137 5886 1 9 . 1 1 58 58 ASN C C 58 173.400 173.400 175.727 -2.327 25137 5887 1 9 . 1 1 58 58 ASN CA C 58 53.570 53.570 52.923 0.647 25137 5888 1 9 . 1 1 58 58 ASN CB C 58 38.820 38.820 37.322 1.498 25137 5889 1 9 . 1 1 58 58 ASN H H 58 8.600 8.600 8.286 0.314 25137 5890 1 9 . 1 1 59 59 LEU N N 59 130.670 130.670 120.551 10.119 25137 5891 1 9 . 1 1 59 59 LEU HA H 59 4.647 4.647 4.358 0.289 25137 5892 1 9 . 1 1 59 59 LEU C C 59 175.340 175.340 177.657 -2.317 25137 5893 1 9 . 1 1 59 59 LEU CA C 59 53.550 53.550 55.803 -2.253 25137 5894 1 9 . 1 1 59 59 LEU CB C 59 41.430 41.430 42.468 -1.038 25137 5895 1 9 . 1 1 59 59 LEU H H 59 8.260 8.260 8.103 0.157 25137 5896 1 9 . 1 1 60 60 GLY N N 60 109.030 109.030 103.999 5.031 25137 5897 1 9 . 1 1 60 60 GLY CA C 60 44.610 44.610 45.257 -0.647 25137 5898 1 9 . 1 1 60 60 GLY H H 60 7.860 7.860 7.604 0.256 25137 5899 1 9 . 1 1 61 61 PRO HA H 61 4.385 4.385 4.291 0.094 25137 5900 1 9 . 1 1 61 61 PRO C C 61 177.960 177.960 177.600 0.360 25137 5901 1 9 . 1 1 61 61 PRO CA C 61 64.888 64.888 65.180 -0.292 25137 5902 1 9 . 1 1 61 61 PRO CB C 61 32.070 32.070 32.323 -0.253 25137 5903 1 9 . 1 1 62 62 LYS N N 62 115.984 115.984 113.646 2.338 25137 5904 1 9 . 1 1 62 62 LYS HA H 62 4.524 4.524 4.530 -0.006 25137 5905 1 9 . 1 1 62 62 LYS C C 62 175.810 175.810 175.869 -0.059 25137 5906 1 9 . 1 1 62 62 LYS CA C 62 55.444 55.444 56.105 -0.661 25137 5907 1 9 . 1 1 62 62 LYS CB C 62 33.216 33.216 33.242 -0.026 25137 5908 1 9 . 1 1 62 62 LYS H H 62 8.625 8.625 7.921 0.704 25137 5909 1 9 . 1 1 63 63 SER N N 63 113.432 113.432 117.070 -3.638 25137 5910 1 9 . 1 1 63 63 SER HA H 63 4.609 4.609 4.335 0.274 25137 5911 1 9 . 1 1 63 63 SER C C 63 172.560 172.560 173.321 -0.761 25137 5912 1 9 . 1 1 63 63 SER CA C 63 57.715 57.715 59.591 -1.876 25137 5913 1 9 . 1 1 63 63 SER CB C 63 64.866 64.866 63.249 1.617 25137 5914 1 9 . 1 1 63 63 SER H H 63 7.389 7.389 7.905 -0.516 25137 5915 1 9 . 1 1 64 64 HIS N N 64 122.580 122.580 118.629 3.951 25137 5916 1 9 . 1 1 64 64 HIS HA H 64 5.833 5.833 5.370 0.463 25137 5917 1 9 . 1 1 64 64 HIS C C 64 176.210 176.210 175.419 0.791 25137 5918 1 9 . 1 1 64 64 HIS CA C 64 54.006 54.006 54.005 0.000 25137 5919 1 9 . 1 1 64 64 HIS CB C 64 34.092 34.092 32.987 1.105 25137 5920 1 9 . 1 1 64 64 HIS H H 64 7.762 7.762 7.814 -0.052 25137 5921 1 9 . 1 1 65 65 CYS N N 65 111.478 111.478 122.556 -11.078 25137 5922 1 9 . 1 1 65 65 CYS HA H 65 4.342 4.342 4.502 -0.160 25137 5923 1 9 . 1 1 65 65 CYS C C 65 175.881 175.881 175.166 0.715 25137 5924 1 9 . 1 1 65 65 CYS CA C 65 57.980 57.980 59.087 -1.107 25137 5925 1 9 . 1 1 65 65 CYS CB C 65 29.790 29.790 26.060 3.730 25137 5926 1 9 . 1 1 65 65 CYS H H 65 7.946 7.946 8.394 -0.448 25137 5927 1 9 . 1 1 66 66 GLY N N 66 120.340 120.340 112.265 8.075 25137 5928 1 9 . 1 1 66 66 GLY CA C 66 48.880 48.880 46.177 2.703 25137 5929 1 9 . 1 1 66 66 GLY H H 66 11.290 11.290 8.122 3.168 25137 5930 1 9 . 1 1 67 67 PRO HA H 67 4.386 4.386 4.277 0.109 25137 5931 1 9 . 1 1 67 67 PRO C C 67 179.860 179.860 178.060 1.800 25137 5932 1 9 . 1 1 67 67 PRO CA C 67 65.388 65.388 65.198 0.190 25137 5933 1 9 . 1 1 67 67 PRO CB C 67 32.970 32.970 31.482 1.488 25137 5934 1 9 . 1 1 68 68 VAL N N 68 116.564 116.564 117.158 -0.594 25137 5935 1 9 . 1 1 68 68 VAL HA H 68 3.494 3.494 3.585 -0.091 25137 5936 1 9 . 1 1 68 68 VAL C C 68 176.350 176.350 177.349 -0.999 25137 5937 1 9 . 1 1 68 68 VAL CA C 68 64.839 64.839 66.136 -1.297 25137 5938 1 9 . 1 1 68 68 VAL CB C 68 31.396 31.396 31.145 0.251 25137 5939 1 9 . 1 1 68 68 VAL H H 68 7.471 7.471 7.886 -0.415 25137 5940 1 9 . 1 1 69 69 ALA N N 69 122.825 122.825 123.287 -0.462 25137 5941 1 9 . 1 1 69 69 ALA HA H 69 3.085 3.085 3.301 -0.216 25137 5942 1 9 . 1 1 69 69 ALA C C 69 179.280 179.280 179.274 0.006 25137 5943 1 9 . 1 1 69 69 ALA CA C 69 55.209 55.209 55.259 -0.050 25137 5944 1 9 . 1 1 69 69 ALA CB C 69 18.141 18.141 18.116 0.025 25137 5945 1 9 . 1 1 69 69 ALA H H 69 7.880 7.880 7.784 0.096 25137 5946 1 9 . 1 1 70 70 ASP N N 70 116.269 116.269 118.848 -2.579 25137 5947 1 9 . 1 1 70 70 ASP HA H 70 4.314 4.314 4.314 0.000 25137 5948 1 9 . 1 1 70 70 ASP C C 70 178.300 178.300 178.299 0.001 25137 5949 1 9 . 1 1 70 70 ASP CA C 70 57.530 57.530 57.643 -0.113 25137 5950 1 9 . 1 1 70 70 ASP CB C 70 40.582 40.582 40.579 0.003 25137 5951 1 9 . 1 1 70 70 ASP H H 70 8.316 8.316 7.942 0.374 25137 5952 1 9 . 1 1 71 71 ALA N N 71 122.771 122.771 122.890 -0.119 25137 5953 1 9 . 1 1 71 71 ALA HA H 71 4.045 4.045 4.026 0.019 25137 5954 1 9 . 1 1 71 71 ALA C C 71 180.700 180.700 179.875 0.825 25137 5955 1 9 . 1 1 71 71 ALA CA C 71 55.062 55.062 55.038 0.024 25137 5956 1 9 . 1 1 71 71 ALA CB C 71 18.675 18.675 18.316 0.359 25137 5957 1 9 . 1 1 71 71 ALA H H 71 7.156 7.156 7.882 -0.726 25137 5958 1 9 . 1 1 72 72 LEU N N 72 119.021 119.021 118.145 0.876 25137 5959 1 9 . 1 1 72 72 LEU HA H 72 3.824 3.824 3.813 0.011 25137 5960 1 9 . 1 1 72 72 LEU C C 72 179.560 179.560 179.366 0.194 25137 5961 1 9 . 1 1 72 72 LEU CA C 72 58.351 58.351 57.609 0.742 25137 5962 1 9 . 1 1 72 72 LEU CB C 72 40.437 40.437 41.249 -0.812 25137 5963 1 9 . 1 1 72 72 LEU H H 72 8.250 8.250 8.262 -0.012 25137 5964 1 9 . 1 1 73 73 LYS N N 73 120.087 120.087 119.438 0.649 25137 5965 1 9 . 1 1 73 73 LYS HA H 73 4.431 4.431 4.092 0.339 25137 5966 1 9 . 1 1 73 73 LYS C C 73 181.310 181.310 179.992 1.318 25137 5967 1 9 . 1 1 73 73 LYS CA C 73 59.307 59.307 59.788 -0.481 25137 5968 1 9 . 1 1 73 73 LYS CB C 73 32.404 32.404 32.169 0.235 25137 5969 1 9 . 1 1 73 73 LYS H H 73 8.383 8.383 8.262 0.121 25137 5970 1 9 . 1 1 74 74 GLN N N 74 118.982 118.982 118.607 0.375 25137 5971 1 9 . 1 1 74 74 GLN HA H 74 4.074 4.074 4.156 -0.082 25137 5972 1 9 . 1 1 74 74 GLN C C 74 177.620 177.620 177.756 -0.136 25137 5973 1 9 . 1 1 74 74 GLN CA C 74 58.834 58.834 58.282 0.552 25137 5974 1 9 . 1 1 74 74 GLN CB C 74 28.505 28.505 28.515 -0.010 25137 5975 1 9 . 1 1 74 74 GLN H H 74 8.015 8.015 8.143 -0.128 25137 5976 1 9 . 1 1 75 75 ARG N N 75 116.770 116.770 116.198 0.572 25137 5977 1 9 . 1 1 75 75 ARG HA H 75 4.272 4.272 4.450 -0.178 25137 5978 1 9 . 1 1 75 75 ARG C C 75 174.310 174.310 175.136 -0.826 25137 5979 1 9 . 1 1 75 75 ARG CA C 75 55.950 55.950 55.313 0.637 25137 5980 1 9 . 1 1 75 75 ARG CB C 75 31.780 31.780 30.556 1.224 25137 5981 1 9 . 1 1 75 75 ARG H H 75 7.240 7.240 7.476 -0.236 25137 5982 1 9 . 1 1 76 76 ALA N N 76 122.020 122.020 121.075 0.945 25137 5983 1 9 . 1 1 76 76 ALA HA H 76 4.050 4.050 4.073 -0.023 25137 5984 1 9 . 1 1 76 76 ALA C C 76 176.240 176.240 177.302 -1.062 25137 5985 1 9 . 1 1 76 76 ALA CA C 76 53.170 53.170 52.953 0.216 25137 5986 1 9 . 1 1 76 76 ALA CB C 76 16.650 16.650 17.273 -0.623 25137 5987 1 9 . 1 1 76 76 ALA H H 76 8.065 8.065 7.501 0.564 25137 5988 1 9 . 1 1 77 77 ILE N N 77 122.300 122.300 120.004 2.296 25137 5989 1 9 . 1 1 77 77 ILE HA H 77 4.502 4.502 4.314 0.188 25137 5990 1 9 . 1 1 77 77 ILE CA C 77 58.610 58.610 58.844 -0.234 25137 5991 1 9 . 1 1 77 77 ILE CB C 77 40.000 40.000 39.160 0.841 25137 5992 1 9 . 1 1 77 77 ILE H H 77 8.080 8.080 8.192 -0.112 25137 5993 1 9 . 1 1 78 78 PRO HA H 78 4.454 4.454 4.596 -0.142 25137 5994 1 9 . 1 1 78 78 PRO C C 78 174.680 174.680 175.452 -0.772 25137 5995 1 9 . 1 1 78 78 PRO CA C 78 62.622 62.622 62.663 -0.041 25137 5996 1 9 . 1 1 78 78 PRO CB C 78 32.772 32.772 32.219 0.553 25137 5997 1 9 . 1 1 79 79 PHE N N 79 109.800 109.800 116.388 -6.588 25137 5998 1 9 . 1 1 79 79 PHE HA H 79 5.656 5.656 5.581 0.075 25137 5999 1 9 . 1 1 79 79 PHE C C 79 172.780 172.780 173.607 -0.827 25137 6000 1 9 . 1 1 79 79 PHE CA C 79 55.612 55.612 55.680 -0.068 25137 6001 1 9 . 1 1 79 79 PHE CB C 79 42.181 42.181 42.324 -0.143 25137 6002 1 9 . 1 1 79 79 PHE H H 79 7.463 7.463 7.920 -0.457 25137 6003 1 9 . 1 1 80 80 ILE N N 80 114.746 114.746 120.309 -5.563 25137 6004 1 9 . 1 1 80 80 ILE HA H 80 4.545 4.545 4.607 -0.062 25137 6005 1 9 . 1 1 80 80 ILE C C 80 174.750 174.750 175.234 -0.484 25137 6006 1 9 . 1 1 80 80 ILE CA C 80 58.914 58.914 59.752 -0.838 25137 6007 1 9 . 1 1 80 80 ILE CB C 80 43.079 43.079 41.932 1.147 25137 6008 1 9 . 1 1 80 80 ILE H H 80 8.024 8.024 8.303 -0.279 25137 6009 1 9 . 1 1 81 81 LEU N N 81 124.450 124.450 126.815 -2.365 25137 6010 1 9 . 1 1 81 81 LEU HA H 81 5.470 5.470 5.049 0.421 25137 6011 1 9 . 1 1 81 81 LEU C C 81 175.620 175.620 176.090 -0.470 25137 6012 1 9 . 1 1 81 81 LEU CA C 81 53.345 53.345 53.124 0.221 25137 6013 1 9 . 1 1 81 81 LEU CB C 81 43.304 43.304 39.920 3.384 25137 6014 1 9 . 1 1 81 81 LEU H H 81 8.935 8.935 9.043 -0.108 25137 6015 1 9 . 1 1 82 82 HIS N N 82 126.167 126.167 126.788 -0.621 25137 6016 1 9 . 1 1 82 82 HIS HA H 82 5.880 5.880 5.404 0.476 25137 6017 1 9 . 1 1 82 82 HIS C C 82 172.730 172.730 174.480 -1.750 25137 6018 1 9 . 1 1 82 82 HIS CA C 82 52.947 52.947 54.184 -1.236 25137 6019 1 9 . 1 1 82 82 HIS CB C 82 31.171 31.171 30.588 0.583 25137 6020 1 9 . 1 1 82 82 HIS H H 82 8.828 8.828 8.585 0.243 25137 6021 1 9 . 1 1 83 83 THR N N 83 114.001 114.001 120.587 -6.586 25137 6022 1 9 . 1 1 83 83 THR HA H 83 5.305 5.305 4.436 0.869 25137 6023 1 9 . 1 1 83 83 THR C C 83 172.800 172.800 173.534 -0.734 25137 6024 1 9 . 1 1 83 83 THR CA C 83 58.807 58.807 61.529 -2.722 25137 6025 1 9 . 1 1 83 83 THR CB C 83 69.366 69.366 70.978 -1.612 25137 6026 1 9 . 1 1 83 83 THR H H 83 7.252 7.252 8.557 -1.306 25137 6027 1 9 . 1 1 84 84 GLY N N 84 115.666 115.666 111.785 3.881 25137 6028 1 9 . 1 1 84 84 GLY C C 84 173.764 173.764 173.816 -0.052 25137 6029 1 9 . 1 1 84 84 GLY CA C 84 45.284 45.284 45.040 0.244 25137 6030 1 9 . 1 1 84 84 GLY H H 84 8.483 8.483 8.494 -0.011 25137 6031 1 9 . 1 1 85 85 ASP N N 85 123.490 123.490 121.420 2.070 25137 6032 1 9 . 1 1 85 85 ASP HA H 85 4.982 4.982 4.842 0.140 25137 6033 1 9 . 1 1 85 85 ASP C C 85 175.829 175.829 176.137 -0.308 25137 6034 1 9 . 1 1 85 85 ASP CA C 85 53.420 53.420 53.604 -0.184 25137 6035 1 9 . 1 1 85 85 ASP CB C 85 41.560 41.560 41.070 0.490 25137 6036 1 9 . 1 1 85 85 ASP H H 85 8.510 8.510 7.768 0.742 25137 6037 1 9 . 1 1 86 86 LEU N N 86 122.010 122.010 126.988 -4.978 25137 6038 1 9 . 1 1 86 86 LEU HA H 86 3.997 3.997 4.465 -0.468 25137 6039 1 9 . 1 1 86 86 LEU C C 86 178.242 178.242 178.037 0.205 25137 6040 1 9 . 1 1 86 86 LEU CA C 86 57.410 57.410 57.069 0.341 25137 6041 1 9 . 1 1 86 86 LEU CB C 86 42.000 42.000 42.481 -0.481 25137 6042 1 9 . 1 1 86 86 LEU H H 86 8.210 8.210 8.214 -0.004 25137 6043 1 9 . 1 1 87 87 ASP N N 87 117.260 117.260 119.836 -2.576 25137 6044 1 9 . 1 1 87 87 ASP HA H 87 4.535 4.535 4.358 0.177 25137 6045 1 9 . 1 1 87 87 ASP C C 87 178.351 178.351 178.484 -0.133 25137 6046 1 9 . 1 1 87 87 ASP CA C 87 56.010 56.010 57.148 -1.137 25137 6047 1 9 . 1 1 87 87 ASP CB C 87 41.400 41.400 40.746 0.654 25137 6048 1 9 . 1 1 87 87 ASP H H 87 8.290 8.290 8.559 -0.269 25137 6049 1 9 . 1 1 88 88 ARG N N 88 120.750 120.750 117.913 2.837 25137 6050 1 9 . 1 1 88 88 ARG HA H 88 4.015 4.015 4.072 -0.057 25137 6051 1 9 . 1 1 88 88 ARG C C 88 177.300 177.300 176.696 0.604 25137 6052 1 9 . 1 1 88 88 ARG CA C 88 58.340 58.340 57.692 0.648 25137 6053 1 9 . 1 1 88 88 ARG CB C 88 30.460 30.460 30.159 0.301 25137 6054 1 9 . 1 1 88 88 ARG H H 88 8.040 8.040 8.377 -0.337 25137 6055 1 9 . 1 1 89 89 HIS N N 89 115.580 115.580 116.022 -0.442 25137 6056 1 9 . 1 1 89 89 HIS HA H 89 5.026 5.026 4.824 0.202 25137 6057 1 9 . 1 1 89 89 HIS C C 89 175.670 175.670 175.256 0.414 25137 6058 1 9 . 1 1 89 89 HIS CA C 89 55.300 55.300 55.123 0.177 25137 6059 1 9 . 1 1 89 89 HIS CB C 89 29.890 29.890 30.820 -0.930 25137 6060 1 9 . 1 1 89 89 HIS H H 89 7.900 7.900 7.964 -0.064 25137 6061 1 9 . 1 1 90 90 GLY N N 90 108.320 108.320 108.856 -0.536 25137 6062 1 9 . 1 1 90 90 GLY C C 90 175.880 175.880 175.339 0.541 25137 6063 1 9 . 1 1 90 90 GLY CA C 90 48.310 48.310 47.135 1.175 25137 6064 1 9 . 1 1 90 90 GLY H H 90 7.790 7.790 7.720 0.070 25137 6065 1 9 . 1 1 91 91 GLU N N 91 120.490 120.490 121.108 -0.618 25137 6066 1 9 . 1 1 91 91 GLU HA H 91 4.043 4.043 3.967 0.076 25137 6067 1 9 . 1 1 91 91 GLU C C 91 178.410 178.410 178.679 -0.269 25137 6068 1 9 . 1 1 91 91 GLU CA C 91 59.200 59.200 58.889 0.311 25137 6069 1 9 . 1 1 91 91 GLU CB C 91 29.240 29.240 28.825 0.415 25137 6070 1 9 . 1 1 91 91 GLU H H 91 8.580 8.580 8.361 0.219 25137 6071 1 9 . 1 1 92 92 LEU N N 92 121.740 121.740 120.817 0.923 25137 6072 1 9 . 1 1 92 92 LEU HA H 92 4.048 4.048 4.035 0.013 25137 6073 1 9 . 1 1 92 92 LEU C C 92 178.630 178.630 178.452 0.178 25137 6074 1 9 . 1 1 92 92 LEU CA C 92 57.690 57.690 57.962 -0.272 25137 6075 1 9 . 1 1 92 92 LEU CB C 92 41.820 41.820 41.825 -0.006 25137 6076 1 9 . 1 1 92 92 LEU H H 92 7.690 7.690 7.833 -0.143 25137 6077 1 9 . 1 1 93 93 LEU N N 93 117.310 117.310 118.818 -1.508 25137 6078 1 9 . 1 1 93 93 LEU HA H 93 3.881 3.881 3.847 0.034 25137 6079 1 9 . 1 1 93 93 LEU C C 93 174.967 174.967 179.109 -4.142 25137 6080 1 9 . 1 1 93 93 LEU CA C 93 57.940 57.940 58.076 -0.136 25137 6081 1 9 . 1 1 93 93 LEU CB C 93 40.640 40.640 41.121 -0.481 25137 6082 1 9 . 1 1 93 93 LEU H H 93 8.160 8.160 8.017 0.143 25137 6083 1 9 . 1 1 94 94 ARG N N 94 117.940 117.940 118.984 -1.044 25137 6084 1 9 . 1 1 94 94 ARG HA H 94 4.120 4.120 4.065 0.055 25137 6085 1 9 . 1 1 94 94 ARG C C 94 177.870 177.870 178.224 -0.354 25137 6086 1 9 . 1 1 94 94 ARG CA C 94 58.450 58.450 59.249 -0.799 25137 6087 1 9 . 1 1 94 94 ARG CB C 94 30.370 30.370 29.971 0.399 25137 6088 1 9 . 1 1 94 94 ARG H H 94 7.770 7.770 8.304 -0.534 25137 6089 1 9 . 1 1 95 95 LYS N N 95 118.380 118.380 118.490 -0.110 25137 6090 1 9 . 1 1 95 95 LYS HA H 95 4.160 4.160 4.113 0.047 25137 6091 1 9 . 1 1 95 95 LYS C C 95 177.730 177.730 178.388 -0.658 25137 6092 1 9 . 1 1 95 95 LYS CA C 95 57.600 57.600 58.753 -1.153 25137 6093 1 9 . 1 1 95 95 LYS CB C 95 32.770 32.770 32.757 0.013 25137 6094 1 9 . 1 1 95 95 LYS H H 95 7.640 7.640 7.572 0.068 25137 6095 1 9 . 1 1 96 96 ILE N N 96 120.160 120.160 118.703 1.457 25137 6096 1 9 . 1 1 96 96 ILE HA H 96 3.781 3.781 3.871 -0.090 25137 6097 1 9 . 1 1 96 96 ILE C C 96 175.840 175.840 175.827 0.013 25137 6098 1 9 . 1 1 96 96 ILE CA C 96 63.720 63.720 64.332 -0.612 25137 6099 1 9 . 1 1 96 96 ILE CB C 96 38.670 38.670 38.643 0.027 25137 6100 1 9 . 1 1 96 96 ILE H H 96 7.980 7.980 7.558 0.422 25137 6101 1 9 . 1 1 97 97 ASP N N 97 120.510 120.510 119.304 1.206 25137 6102 1 9 . 1 1 97 97 ASP HA H 97 4.380 4.380 4.200 0.180 25137 6103 1 9 . 1 1 97 97 ASP C C 97 173.580 173.580 174.106 -0.526 25137 6104 1 9 . 1 1 97 97 ASP CA C 97 54.300 54.300 55.147 -0.847 25137 6105 1 9 . 1 1 97 97 ASP CB C 97 39.490 39.490 40.083 -0.593 25137 6106 1 9 . 1 1 97 97 ASP H H 97 8.160 8.160 8.313 -0.153 25137 6107 1 9 . 1 1 98 98 ALA N N 98 123.800 123.800 122.578 1.222 25137 6108 1 9 . 1 1 98 98 ALA HA H 98 4.550 4.550 4.616 -0.066 25137 6109 1 9 . 1 1 98 98 ALA CA C 98 49.860 49.860 50.278 -0.418 25137 6110 1 9 . 1 1 98 98 ALA CB C 98 21.070 21.070 20.266 0.804 25137 6111 1 9 . 1 1 98 98 ALA H H 98 7.680 7.680 7.983 -0.303 25137 6112 1 9 . 1 1 99 99 PRO HA H 99 4.370 4.370 4.409 -0.039 25137 6113 1 9 . 1 1 99 99 PRO C C 99 174.760 174.760 175.419 -0.659 25137 6114 1 9 . 1 1 99 99 PRO CA C 99 62.950 62.950 63.551 -0.601 25137 6115 1 9 . 1 1 99 99 PRO CB C 99 32.310 32.310 31.858 0.452 25137 6116 1 9 . 1 1 100 100 VAL N N 100 120.490 120.490 122.140 -1.650 25137 6117 1 9 . 1 1 100 100 VAL HA H 100 4.832 4.832 4.746 0.086 25137 6118 1 9 . 1 1 100 100 VAL C C 100 176.650 176.650 175.749 0.901 25137 6119 1 9 . 1 1 100 100 VAL CA C 100 60.450 60.450 61.800 -1.350 25137 6120 1 9 . 1 1 100 100 VAL CB C 100 34.830 34.830 34.682 0.148 25137 6121 1 9 . 1 1 100 100 VAL H H 100 8.270 8.270 8.275 -0.005 25137 6122 1 9 . 1 1 101 101 MET N N 101 127.420 127.420 127.083 0.337 25137 6123 1 9 . 1 1 101 101 MET HA H 101 4.705 4.705 4.795 -0.090 25137 6124 1 9 . 1 1 101 101 MET C C 101 174.490 174.490 174.979 -0.489 25137 6125 1 9 . 1 1 101 101 MET CA C 101 54.730 54.730 54.200 0.530 25137 6126 1 9 . 1 1 101 101 MET CB C 101 34.560 34.560 34.748 -0.188 25137 6127 1 9 . 1 1 101 101 MET H H 101 9.240 9.240 9.246 -0.006 25137 6128 1 9 . 1 1 102 102 ALA N N 102 128.590 128.590 127.913 0.677 25137 6129 1 9 . 1 1 102 102 ALA HA H 102 4.608 4.608 4.879 -0.271 25137 6130 1 9 . 1 1 102 102 ALA C C 102 177.935 177.935 177.536 0.399 25137 6131 1 9 . 1 1 102 102 ALA CA C 102 51.930 51.930 51.607 0.323 25137 6132 1 9 . 1 1 102 102 ALA CB C 102 19.040 19.040 19.846 -0.806 25137 6133 1 9 . 1 1 102 102 ALA H H 102 8.760 8.760 8.503 0.257 25137 6134 1 9 . 1 1 103 103 LYS N N 103 120.200 120.200 122.472 -2.272 25137 6135 1 9 . 1 1 103 103 LYS HA H 103 4.284 4.284 4.776 -0.492 25137 6136 1 9 . 1 1 103 103 LYS CA C 103 54.370 54.370 54.529 -0.159 25137 6137 1 9 . 1 1 103 103 LYS CB C 103 34.190 34.190 32.282 1.908 25137 6138 1 9 . 1 1 103 103 LYS H H 103 7.300 7.300 8.130 -0.830 25137 6139 1 9 . 1 1 104 104 PRO HA H 104 4.611 4.611 4.540 0.071 25137 6140 1 9 . 1 1 104 104 PRO C C 104 174.980 174.980 175.456 -0.476 25137 6141 1 9 . 1 1 104 104 PRO CA C 104 62.626 62.626 62.669 -0.043 25137 6142 1 9 . 1 1 104 104 PRO CB C 104 33.867 33.867 32.340 1.527 25137 6143 1 9 . 1 1 105 105 ALA N N 105 125.082 125.082 125.237 -0.155 25137 6144 1 9 . 1 1 105 105 ALA HA H 105 4.576 4.576 4.504 0.072 25137 6145 1 9 . 1 1 105 105 ALA C C 105 176.890 176.890 176.050 0.840 25137 6146 1 9 . 1 1 105 105 ALA CA C 105 51.177 51.177 51.446 -0.269 25137 6147 1 9 . 1 1 105 105 ALA CB C 105 21.735 21.735 21.695 0.040 25137 6148 1 9 . 1 1 105 105 ALA H H 105 8.668 8.668 8.257 0.411 25137 6149 1 9 . 1 1 106 106 ASP N N 106 122.306 122.306 122.971 -0.665 25137 6150 1 9 . 1 1 106 106 ASP HA H 106 4.636 4.636 4.663 -0.027 25137 6151 1 9 . 1 1 106 106 ASP C C 106 178.383 178.383 177.447 0.936 25137 6152 1 9 . 1 1 106 106 ASP CA C 106 54.312 54.312 53.844 0.468 25137 6153 1 9 . 1 1 106 106 ASP CB C 106 41.260 41.260 42.727 -1.467 25137 6154 1 9 . 1 1 106 106 ASP H H 106 8.867 8.867 8.386 0.481 25137 6155 1 9 . 1 1 107 107 THR N N 107 119.540 119.540 118.565 0.975 25137 6156 1 9 . 1 1 107 107 THR HA H 107 3.573 3.573 3.995 -0.422 25137 6157 1 9 . 1 1 107 107 THR C C 107 176.393 176.393 176.103 0.290 25137 6158 1 9 . 1 1 107 107 THR CA C 107 65.940 65.940 64.375 1.565 25137 6159 1 9 . 1 1 107 107 THR CB C 107 68.191 68.191 68.743 -0.552 25137 6160 1 9 . 1 1 107 107 THR H H 107 8.658 8.658 8.549 0.109 25137 6161 1 9 . 1 1 108 108 SER N N 108 117.095 117.095 116.660 0.435 25137 6162 1 9 . 1 1 108 108 SER HA H 108 4.140 4.140 4.142 -0.002 25137 6163 1 9 . 1 1 108 108 SER C C 108 176.143 176.143 176.303 -0.160 25137 6164 1 9 . 1 1 108 108 SER CA C 108 61.650 61.650 61.809 -0.159 25137 6165 1 9 . 1 1 108 108 SER CB C 108 62.450 62.450 62.593 -0.143 25137 6166 1 9 . 1 1 108 108 SER H H 108 8.480 8.480 9.042 -0.562 25137 6167 1 9 . 1 1 109 109 ASP N N 109 122.520 122.520 124.785 -2.265 25137 6168 1 9 . 1 1 109 109 ASP HA H 109 4.400 4.400 4.486 -0.086 25137 6169 1 9 . 1 1 109 109 ASP C C 109 178.499 178.499 178.054 0.445 25137 6170 1 9 . 1 1 109 109 ASP CA C 109 56.990 56.990 57.864 -0.874 25137 6171 1 9 . 1 1 109 109 ASP CB C 109 40.560 40.560 40.776 -0.216 25137 6172 1 9 . 1 1 109 109 ASP H H 109 7.350 7.350 7.663 -0.313 25137 6173 1 9 . 1 1 110 110 VAL N N 110 120.210 120.210 120.710 -0.500 25137 6174 1 9 . 1 1 110 110 VAL HA H 110 3.262 3.262 3.620 -0.358 25137 6175 1 9 . 1 1 110 110 VAL C C 110 176.535 176.535 178.147 -1.612 25137 6176 1 9 . 1 1 110 110 VAL CA C 110 66.090 66.090 66.019 0.071 25137 6177 1 9 . 1 1 110 110 VAL CB C 110 31.400 31.400 31.555 -0.155 25137 6178 1 9 . 1 1 110 110 VAL H H 110 7.440 7.440 8.103 -0.663 25137 6179 1 9 . 1 1 111 111 ALA N N 111 118.790 118.790 121.253 -2.463 25137 6180 1 9 . 1 1 111 111 ALA HA H 111 3.264 3.264 2.477 0.787 25137 6181 1 9 . 1 1 111 111 ALA C C 111 179.030 179.030 179.022 0.008 25137 6182 1 9 . 1 1 111 111 ALA CA C 111 54.590 54.590 54.739 -0.149 25137 6183 1 9 . 1 1 111 111 ALA CB C 111 16.480 16.480 17.358 -0.878 25137 6184 1 9 . 1 1 111 111 ALA H H 111 7.610 7.610 7.852 -0.242 25137 6185 1 9 . 1 1 112 112 LYS N N 112 115.540 115.540 118.128 -2.588 25137 6186 1 9 . 1 1 112 112 LYS HA H 112 3.750 3.750 3.876 -0.126 25137 6187 1 9 . 1 1 112 112 LYS C C 112 179.470 179.470 179.203 0.267 25137 6188 1 9 . 1 1 112 112 LYS CA C 112 60.020 60.020 59.586 0.434 25137 6189 1 9 . 1 1 112 112 LYS CB C 112 32.680 32.680 32.237 0.443 25137 6190 1 9 . 1 1 112 112 LYS H H 112 7.840 7.840 7.462 0.378 25137 6191 1 9 . 1 1 113 113 ARG N N 113 118.590 118.590 118.344 0.246 25137 6192 1 9 . 1 1 113 113 ARG HA H 113 4.021 4.021 4.041 -0.020 25137 6193 1 9 . 1 1 113 113 ARG C C 113 179.120 179.120 178.755 0.365 25137 6194 1 9 . 1 1 113 113 ARG CA C 113 58.180 58.180 58.449 -0.269 25137 6195 1 9 . 1 1 113 113 ARG CB C 113 29.530 29.530 29.432 0.098 25137 6196 1 9 . 1 1 113 113 ARG H H 113 7.860 7.860 8.267 -0.407 25137 6197 1 9 . 1 1 114 114 ALA N N 114 120.520 120.520 122.057 -1.537 25137 6198 1 9 . 1 1 114 114 ALA HA H 114 4.046 4.046 4.205 -0.159 25137 6199 1 9 . 1 1 114 114 ALA C C 114 179.280 179.280 180.024 -0.744 25137 6200 1 9 . 1 1 114 114 ALA CA C 114 55.070 55.070 54.931 0.139 25137 6201 1 9 . 1 1 114 114 ALA CB C 114 17.920 17.920 18.911 -0.991 25137 6202 1 9 . 1 1 114 114 ALA H H 114 8.190 8.190 7.791 0.399 25137 6203 1 9 . 1 1 115 115 LEU N N 115 115.820 115.820 118.700 -2.880 25137 6204 1 9 . 1 1 115 115 LEU HA H 115 4.225 4.225 4.314 -0.089 25137 6205 1 9 . 1 1 115 115 LEU C C 115 180.490 180.490 178.593 1.897 25137 6206 1 9 . 1 1 115 115 LEU CA C 115 57.600 57.600 57.051 0.549 25137 6207 1 9 . 1 1 115 115 LEU CB C 115 40.590 40.590 41.647 -1.057 25137 6208 1 9 . 1 1 115 115 LEU H H 115 8.320 8.320 8.267 0.053 25137 6209 1 9 . 1 1 116 116 GLU N N 116 119.789 119.789 116.883 2.906 25137 6210 1 9 . 1 1 116 116 GLU HA H 116 4.109 4.109 4.054 0.055 25137 6211 1 9 . 1 1 116 116 GLU C C 116 178.790 178.790 178.320 0.470 25137 6212 1 9 . 1 1 116 116 GLU CA C 116 58.625 58.625 58.548 0.077 25137 6213 1 9 . 1 1 116 116 GLU CB C 116 29.548 29.548 29.579 -0.031 25137 6214 1 9 . 1 1 116 116 GLU H H 116 7.904 7.904 8.216 -0.312 25137 6215 1 9 . 1 1 117 117 MET N N 117 116.426 116.426 115.677 0.749 25137 6216 1 9 . 1 1 117 117 MET HA H 117 4.245 4.245 4.383 -0.138 25137 6217 1 9 . 1 1 117 117 MET C C 117 176.890 176.890 176.968 -0.078 25137 6218 1 9 . 1 1 117 117 MET CA C 117 57.638 57.638 57.429 0.209 25137 6219 1 9 . 1 1 117 117 MET CB C 117 33.467 33.467 34.169 -0.702 25137 6220 1 9 . 1 1 117 117 MET H H 117 7.712 7.712 7.652 0.060 25137 6221 1 9 . 1 1 118 118 CYS N N 118 113.993 113.993 118.524 -4.531 25137 6222 1 9 . 1 1 118 118 CYS HA H 118 4.699 4.699 4.921 -0.222 25137 6223 1 9 . 1 1 118 118 CYS C C 118 174.750 174.750 173.323 1.427 25137 6224 1 9 . 1 1 118 118 CYS CA C 118 58.541 58.541 58.734 -0.193 25137 6225 1 9 . 1 1 118 118 CYS CB C 118 28.552 28.552 28.508 0.044 25137 6226 1 9 . 1 1 118 118 CYS H H 118 7.428 7.428 7.422 0.006 25137 6227 1 9 . 1 1 119 119 GLY N N 119 109.823 109.823 114.500 -4.677 25137 6228 1 9 . 1 1 119 119 GLY C C 119 174.660 174.660 174.884 -0.224 25137 6229 1 9 . 1 1 119 119 GLY CA C 119 45.709 45.709 45.199 0.510 25137 6230 1 9 . 1 1 119 119 GLY H H 119 8.056 8.056 8.581 -0.525 25137 6231 1 9 . 1 1 120 120 GLY N N 120 108.821 108.821 113.125 -4.304 25137 6232 1 9 . 1 1 120 120 GLY C C 120 173.790 173.790 174.067 -0.277 25137 6233 1 9 . 1 1 120 120 GLY CA C 120 45.326 45.326 45.037 0.289 25137 6234 1 9 . 1 1 120 120 GLY H H 120 8.301 8.301 8.664 -0.363 25137 6235 1 9 . 1 1 121 121 ASP N N 121 120.383 120.383 119.825 0.558 25137 6236 1 9 . 1 1 121 121 ASP HA H 121 4.591 4.591 4.370 0.221 25137 6237 1 9 . 1 1 121 121 ASP C C 121 176.160 176.160 175.925 0.235 25137 6238 1 9 . 1 1 121 121 ASP CA C 121 54.313 54.313 55.250 -0.937 25137 6239 1 9 . 1 1 121 121 ASP CB C 121 41.079 41.079 40.321 0.758 25137 6240 1 9 . 1 1 121 121 ASP H H 121 8.438 8.438 7.979 0.459 25137 6241 1 9 . 1 1 122 122 LYS N N 122 121.450 121.450 121.248 0.202 25137 6242 1 9 . 1 1 122 122 LYS HA H 122 4.350 4.350 4.562 -0.212 25137 6243 1 9 . 1 1 122 122 LYS C C 122 177.184 177.184 175.531 1.653 25137 6244 1 9 . 1 1 122 122 LYS CA C 122 55.890 55.890 55.870 0.020 25137 6245 1 9 . 1 1 122 122 LYS CB C 122 33.190 33.190 32.606 0.584 25137 6246 1 9 . 1 1 122 122 LYS H H 122 8.258 8.258 8.395 -0.137 25137 6247 1 9 . 1 1 123 123 GLU N N 123 123.560 123.560 123.012 0.548 25137 6248 1 9 . 1 1 123 123 GLU HA H 123 4.550 4.550 4.521 0.029 25137 6249 1 9 . 1 1 123 123 GLU CA C 123 54.470 54.470 53.881 0.589 25137 6250 1 9 . 1 1 123 123 GLU CB C 123 29.640 29.640 30.227 -0.587 25137 6251 1 9 . 1 1 123 123 GLU H H 123 8.420 8.420 8.257 0.163 25137 6252 1 9 . 1 1 124 124 PRO HA H 124 4.384 4.384 4.389 -0.005 25137 6253 1 9 . 1 1 124 124 PRO C C 124 175.770 175.770 175.528 0.242 25137 6254 1 9 . 1 1 124 124 PRO CA C 124 63.350 63.350 63.166 0.184 25137 6255 1 9 . 1 1 124 124 PRO CB C 124 32.300 32.300 30.564 1.736 25137 6256 1 10 . 1 1 2 2 ALA N N 2 123.423 123.423 126.131 -2.708 25137 6257 1 10 . 1 1 2 2 ALA HA H 2 4.357 4.357 4.535 -0.178 25137 6258 1 10 . 1 1 2 2 ALA C C 2 177.811 177.811 177.304 0.507 25137 6259 1 10 . 1 1 2 2 ALA CA C 2 52.652 52.652 52.025 0.627 25137 6260 1 10 . 1 1 2 2 ALA CB C 2 19.488 19.488 20.272 -0.784 25137 6261 1 10 . 1 1 2 2 ALA H H 2 7.983 7.983 8.038 -0.055 25137 6262 1 10 . 1 1 3 3 MET N N 3 119.390 119.390 116.918 2.472 25137 6263 1 10 . 1 1 3 3 MET HA H 3 4.482 4.482 4.115 0.367 25137 6264 1 10 . 1 1 3 3 MET C C 3 176.569 176.569 176.784 -0.215 25137 6265 1 10 . 1 1 3 3 MET CA C 3 55.570 55.570 56.204 -0.634 25137 6266 1 10 . 1 1 3 3 MET CB C 3 32.900 32.900 32.214 0.686 25137 6267 1 10 . 1 1 3 3 MET H H 3 8.570 8.570 8.628 -0.058 25137 6268 1 10 . 1 1 4 4 GLY N N 4 110.130 110.130 107.094 3.036 25137 6269 1 10 . 1 1 4 4 GLY C C 4 173.630 173.630 174.312 -0.682 25137 6270 1 10 . 1 1 4 4 GLY CA C 4 45.270 45.270 45.163 0.107 25137 6271 1 10 . 1 1 4 4 GLY H H 4 8.370 8.370 8.036 0.334 25137 6272 1 10 . 1 1 5 5 MET N N 5 121.570 121.570 123.026 -1.456 25137 6273 1 10 . 1 1 5 5 MET HA H 5 4.780 4.780 4.996 -0.216 25137 6274 1 10 . 1 1 5 5 MET CA C 5 53.630 53.630 53.612 0.018 25137 6275 1 10 . 1 1 5 5 MET CB C 5 33.140 33.140 33.808 -0.668 25137 6276 1 10 . 1 1 5 5 MET H H 5 8.210 8.210 7.905 0.305 25137 6277 1 10 . 1 1 6 6 PRO HA H 6 4.505 4.505 4.517 -0.012 25137 6278 1 10 . 1 1 6 6 PRO C C 6 174.520 174.520 175.801 -1.281 25137 6279 1 10 . 1 1 6 6 PRO CA C 6 62.980 62.980 62.282 0.697 25137 6280 1 10 . 1 1 6 6 PRO CB C 6 32.400 32.400 32.087 0.313 25137 6281 1 10 . 1 1 7 7 LYS N N 7 123.443 123.443 124.628 -1.185 25137 6282 1 10 . 1 1 7 7 LYS HA H 7 5.000 5.000 4.706 0.294 25137 6283 1 10 . 1 1 7 7 LYS C C 7 175.920 175.920 175.929 -0.009 25137 6284 1 10 . 1 1 7 7 LYS CA C 7 54.911 54.911 56.163 -1.252 25137 6285 1 10 . 1 1 7 7 LYS CB C 7 33.635 33.635 33.018 0.617 25137 6286 1 10 . 1 1 7 7 LYS H H 7 9.675 9.675 9.266 0.409 25137 6287 1 10 . 1 1 8 8 VAL N N 8 125.859 125.859 126.489 -0.630 25137 6288 1 10 . 1 1 8 8 VAL HA H 8 4.723 4.723 4.833 -0.110 25137 6289 1 10 . 1 1 8 8 VAL C C 8 174.630 174.630 174.423 0.207 25137 6290 1 10 . 1 1 8 8 VAL CA C 8 59.726 59.726 60.789 -1.063 25137 6291 1 10 . 1 1 8 8 VAL CB C 8 34.991 34.991 32.673 2.318 25137 6292 1 10 . 1 1 8 8 VAL H H 8 8.851 8.851 9.043 -0.193 25137 6293 1 10 . 1 1 9 9 LEU N N 9 127.114 127.114 131.100 -3.986 25137 6294 1 10 . 1 1 9 9 LEU HA H 9 5.190 5.190 4.880 0.310 25137 6295 1 10 . 1 1 9 9 LEU C C 9 174.090 174.090 174.802 -0.712 25137 6296 1 10 . 1 1 9 9 LEU CA C 9 53.090 53.090 53.362 -0.272 25137 6297 1 10 . 1 1 9 9 LEU CB C 9 45.007 45.007 43.331 1.676 25137 6298 1 10 . 1 1 9 9 LEU H H 9 7.881 7.881 8.789 -0.908 25137 6299 1 10 . 1 1 10 10 VAL N N 10 128.024 128.024 128.340 -0.316 25137 6300 1 10 . 1 1 10 10 VAL HA H 10 4.647 4.647 4.464 0.183 25137 6301 1 10 . 1 1 10 10 VAL C C 10 172.900 172.900 174.148 -1.248 25137 6302 1 10 . 1 1 10 10 VAL CA C 10 61.206 61.206 61.501 -0.295 25137 6303 1 10 . 1 1 10 10 VAL CB C 10 34.541 34.541 32.510 2.031 25137 6304 1 10 . 1 1 10 10 VAL H H 10 8.952 8.952 9.135 -0.183 25137 6305 1 10 . 1 1 11 11 LEU N N 11 128.979 128.979 129.807 -0.828 25137 6306 1 10 . 1 1 11 11 LEU HA H 11 5.504 5.504 5.319 0.185 25137 6307 1 10 . 1 1 11 11 LEU C C 11 174.450 174.450 175.503 -1.053 25137 6308 1 10 . 1 1 11 11 LEU CA C 11 52.328 52.328 52.921 -0.593 25137 6309 1 10 . 1 1 11 11 LEU CB C 11 45.000 45.000 41.417 3.583 25137 6310 1 10 . 1 1 11 11 LEU H H 11 8.433 8.433 9.187 -0.754 25137 6311 1 10 . 1 1 12 12 GLU N N 12 128.158 128.158 125.011 3.147 25137 6312 1 10 . 1 1 12 12 GLU HA H 12 4.294 4.294 4.520 -0.226 25137 6313 1 10 . 1 1 12 12 GLU C C 12 173.120 173.120 174.568 -1.448 25137 6314 1 10 . 1 1 12 12 GLU CA C 12 56.964 56.964 56.298 0.666 25137 6315 1 10 . 1 1 12 12 GLU CB C 12 32.201 32.201 33.153 -0.952 25137 6316 1 10 . 1 1 12 12 GLU H H 12 8.532 8.532 8.806 -0.274 25137 6317 1 10 . 1 1 13 13 ASP N N 13 123.077 123.077 125.584 -2.507 25137 6318 1 10 . 1 1 13 13 ASP HA H 13 4.659 4.659 4.619 0.040 25137 6319 1 10 . 1 1 13 13 ASP C C 13 176.090 176.090 176.704 -0.614 25137 6320 1 10 . 1 1 13 13 ASP CA C 13 55.140 55.140 54.827 0.313 25137 6321 1 10 . 1 1 13 13 ASP CB C 13 40.524 40.524 41.754 -1.230 25137 6322 1 10 . 1 1 13 13 ASP H H 13 8.803 8.803 8.682 0.121 25137 6323 1 10 . 1 1 14 14 GLU N N 14 126.685 126.685 121.131 5.554 25137 6324 1 10 . 1 1 14 14 GLU HA H 14 4.809 4.809 4.634 0.175 25137 6325 1 10 . 1 1 14 14 GLU CA C 14 54.574 54.574 54.129 0.445 25137 6326 1 10 . 1 1 14 14 GLU CB C 14 29.310 29.310 29.197 0.113 25137 6327 1 10 . 1 1 14 14 GLU H H 14 10.077 10.077 8.586 1.491 25137 6328 1 10 . 1 1 15 15 PRO HA H 15 4.273 4.273 4.238 0.035 25137 6329 1 10 . 1 1 15 15 PRO C C 15 179.110 179.110 178.059 1.051 25137 6330 1 10 . 1 1 15 15 PRO CA C 15 65.472 65.472 65.461 0.011 25137 6331 1 10 . 1 1 15 15 PRO CB C 15 32.462 32.462 31.866 0.596 25137 6332 1 10 . 1 1 16 16 LEU N N 16 118.358 118.358 118.954 -0.596 25137 6333 1 10 . 1 1 16 16 LEU HA H 16 4.131 4.131 4.153 -0.022 25137 6334 1 10 . 1 1 16 16 LEU C C 16 179.260 179.260 178.803 0.457 25137 6335 1 10 . 1 1 16 16 LEU CA C 16 58.306 58.306 58.241 0.065 25137 6336 1 10 . 1 1 16 16 LEU CB C 16 41.731 41.731 41.271 0.460 25137 6337 1 10 . 1 1 16 16 LEU H H 16 8.851 8.851 8.111 0.740 25137 6338 1 10 . 1 1 17 17 ILE N N 17 117.680 117.680 119.696 -2.016 25137 6339 1 10 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.690 0.142 25137 6340 1 10 . 1 1 17 17 ILE C C 17 178.230 178.230 177.999 0.231 25137 6341 1 10 . 1 1 17 17 ILE CA C 17 63.344 63.344 64.806 -1.462 25137 6342 1 10 . 1 1 17 17 ILE CB C 17 36.564 36.564 37.095 -0.531 25137 6343 1 10 . 1 1 17 17 ILE H H 17 6.886 6.886 7.551 -0.665 25137 6344 1 10 . 1 1 18 18 ALA N N 18 122.321 122.321 123.113 -0.792 25137 6345 1 10 . 1 1 18 18 ALA HA H 18 3.720 3.720 3.886 -0.166 25137 6346 1 10 . 1 1 18 18 ALA C C 18 178.900 178.900 179.294 -0.394 25137 6347 1 10 . 1 1 18 18 ALA CA C 18 55.890 55.890 55.541 0.349 25137 6348 1 10 . 1 1 18 18 ALA CB C 18 18.165 18.165 18.236 -0.071 25137 6349 1 10 . 1 1 18 18 ALA H H 18 7.988 7.988 8.717 -0.729 25137 6350 1 10 . 1 1 19 19 MET N N 19 115.807 115.807 118.747 -2.940 25137 6351 1 10 . 1 1 19 19 MET HA H 19 3.999 3.999 4.078 -0.079 25137 6352 1 10 . 1 1 19 19 MET C C 19 177.180 177.180 178.111 -0.931 25137 6353 1 10 . 1 1 19 19 MET CA C 19 58.144 58.144 58.984 -0.840 25137 6354 1 10 . 1 1 19 19 MET CB C 19 32.852 32.852 32.654 0.198 25137 6355 1 10 . 1 1 19 19 MET H H 19 8.204 8.204 8.338 -0.134 25137 6356 1 10 . 1 1 20 20 ASN N N 20 117.843 117.843 119.000 -1.157 25137 6357 1 10 . 1 1 20 20 ASN HA H 20 4.545 4.545 4.685 -0.140 25137 6358 1 10 . 1 1 20 20 ASN C C 20 179.590 179.590 178.613 0.977 25137 6359 1 10 . 1 1 20 20 ASN CA C 20 56.222 56.222 56.309 -0.087 25137 6360 1 10 . 1 1 20 20 ASN CB C 20 38.005 38.005 38.362 -0.357 25137 6361 1 10 . 1 1 20 20 ASN H H 20 7.839 7.839 8.307 -0.468 25137 6362 1 10 . 1 1 21 21 LEU N N 21 121.749 121.749 122.384 -0.635 25137 6363 1 10 . 1 1 21 21 LEU HA H 21 4.055 4.055 4.067 -0.012 25137 6364 1 10 . 1 1 21 21 LEU C C 21 177.750 177.750 178.494 -0.744 25137 6365 1 10 . 1 1 21 21 LEU CA C 21 58.268 58.268 58.439 -0.171 25137 6366 1 10 . 1 1 21 21 LEU CB C 21 42.605 42.605 41.869 0.736 25137 6367 1 10 . 1 1 21 21 LEU H H 21 8.601 8.601 8.773 -0.172 25137 6368 1 10 . 1 1 22 22 GLN N N 22 120.991 120.991 119.286 1.705 25137 6369 1 10 . 1 1 22 22 GLN HA H 22 3.935 3.935 3.925 0.010 25137 6370 1 10 . 1 1 22 22 GLN C C 22 178.070 178.070 178.568 -0.498 25137 6371 1 10 . 1 1 22 22 GLN CA C 22 60.463 60.463 59.507 0.956 25137 6372 1 10 . 1 1 22 22 GLN CB C 22 26.902 26.902 28.673 -1.771 25137 6373 1 10 . 1 1 22 22 GLN H H 22 8.749 8.749 8.469 0.280 25137 6374 1 10 . 1 1 23 23 TYR N N 23 117.446 117.446 118.397 -0.951 25137 6375 1 10 . 1 1 23 23 TYR HA H 23 4.517 4.517 4.238 0.279 25137 6376 1 10 . 1 1 23 23 TYR C C 23 178.210 178.210 178.037 0.173 25137 6377 1 10 . 1 1 23 23 TYR CA C 23 59.425 59.425 60.278 -0.853 25137 6378 1 10 . 1 1 23 23 TYR CB C 23 36.975 36.975 37.739 -0.764 25137 6379 1 10 . 1 1 23 23 TYR H H 23 8.450 8.450 8.425 0.025 25137 6380 1 10 . 1 1 24 24 ALA N N 24 121.627 121.627 123.092 -1.465 25137 6381 1 10 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.010 0.090 25137 6382 1 10 . 1 1 24 24 ALA C C 24 180.910 180.910 179.289 1.621 25137 6383 1 10 . 1 1 24 24 ALA CA C 24 55.060 55.060 54.960 0.100 25137 6384 1 10 . 1 1 24 24 ALA CB C 24 18.070 18.070 18.070 0.000 25137 6385 1 10 . 1 1 24 24 ALA H H 24 7.765 7.765 7.803 -0.038 25137 6386 1 10 . 1 1 25 25 PHE N N 25 115.589 115.589 117.545 -1.956 25137 6387 1 10 . 1 1 25 25 PHE HA H 25 3.940 3.940 4.118 -0.178 25137 6388 1 10 . 1 1 25 25 PHE C C 25 179.090 179.090 178.478 0.612 25137 6389 1 10 . 1 1 25 25 PHE CA C 25 63.453 63.453 62.546 0.907 25137 6390 1 10 . 1 1 25 25 PHE CB C 25 39.484 39.484 38.862 0.622 25137 6391 1 10 . 1 1 25 25 PHE H H 25 8.348 8.348 8.618 -0.270 25137 6392 1 10 . 1 1 26 26 GLU N N 26 121.198 121.198 118.707 2.491 25137 6393 1 10 . 1 1 26 26 GLU HA H 26 4.429 4.429 4.364 0.065 25137 6394 1 10 . 1 1 26 26 GLU C C 26 181.680 181.680 178.539 3.141 25137 6395 1 10 . 1 1 26 26 GLU CA C 26 59.737 59.737 58.531 1.206 25137 6396 1 10 . 1 1 26 26 GLU CB C 26 28.925 28.925 29.472 -0.547 25137 6397 1 10 . 1 1 26 26 GLU H H 26 8.822 8.822 8.204 0.618 25137 6398 1 10 . 1 1 27 27 ASP N N 27 121.846 121.846 118.897 2.949 25137 6399 1 10 . 1 1 27 27 ASP HA H 27 4.468 4.468 4.502 -0.034 25137 6400 1 10 . 1 1 27 27 ASP C C 27 177.880 177.880 177.959 -0.079 25137 6401 1 10 . 1 1 27 27 ASP CA C 27 56.996 56.996 56.482 0.514 25137 6402 1 10 . 1 1 27 27 ASP CB C 27 40.640 40.640 41.070 -0.430 25137 6403 1 10 . 1 1 27 27 ASP H H 27 8.424 8.424 7.859 0.565 25137 6404 1 10 . 1 1 28 28 GLU N N 28 115.759 115.759 117.615 -1.856 25137 6405 1 10 . 1 1 28 28 GLU HA H 28 4.331 4.331 4.322 0.010 25137 6406 1 10 . 1 1 28 28 GLU C C 28 176.460 176.460 177.200 -0.740 25137 6407 1 10 . 1 1 28 28 GLU CA C 28 55.395 55.395 56.485 -1.090 25137 6408 1 10 . 1 1 28 28 GLU CB C 28 30.264 30.264 30.150 0.114 25137 6409 1 10 . 1 1 28 28 GLU H H 28 7.170 7.170 7.651 -0.481 25137 6410 1 10 . 1 1 29 29 GLY N N 29 106.899 106.899 107.662 -0.763 25137 6411 1 10 . 1 1 29 29 GLY C C 29 173.160 173.160 172.832 0.328 25137 6412 1 10 . 1 1 29 29 GLY CA C 29 45.589 45.589 45.167 0.422 25137 6413 1 10 . 1 1 29 29 GLY H H 29 7.889 7.889 7.709 0.180 25137 6414 1 10 . 1 1 30 30 ALA N N 30 121.007 121.007 121.251 -0.244 25137 6415 1 10 . 1 1 30 30 ALA HA H 30 4.680 4.680 5.129 -0.449 25137 6416 1 10 . 1 1 30 30 ALA C C 30 175.880 175.880 175.082 0.798 25137 6417 1 10 . 1 1 30 30 ALA CA C 30 50.666 50.666 50.792 -0.126 25137 6418 1 10 . 1 1 30 30 ALA CB C 30 21.882 21.882 22.277 -0.395 25137 6419 1 10 . 1 1 30 30 ALA H H 30 7.743 7.743 7.672 0.071 25137 6420 1 10 . 1 1 31 31 GLU N N 31 120.065 120.065 120.045 0.020 25137 6421 1 10 . 1 1 31 31 GLU HA H 31 4.664 4.664 4.757 -0.093 25137 6422 1 10 . 1 1 31 31 GLU C C 31 175.430 175.430 174.683 0.747 25137 6423 1 10 . 1 1 31 31 GLU CA C 31 55.136 55.136 54.987 0.149 25137 6424 1 10 . 1 1 31 31 GLU CB C 31 32.126 32.126 32.275 -0.149 25137 6425 1 10 . 1 1 31 31 GLU H H 31 8.595 8.595 8.518 0.077 25137 6426 1 10 . 1 1 32 32 VAL N N 32 123.414 123.414 125.909 -2.495 25137 6427 1 10 . 1 1 32 32 VAL HA H 32 4.787 4.787 4.955 -0.168 25137 6428 1 10 . 1 1 32 32 VAL C C 32 175.290 175.290 175.550 -0.260 25137 6429 1 10 . 1 1 32 32 VAL CA C 32 60.802 60.802 60.399 0.403 25137 6430 1 10 . 1 1 32 32 VAL CB C 32 34.991 34.991 33.589 1.402 25137 6431 1 10 . 1 1 32 32 VAL H H 32 8.872 8.872 8.515 0.357 25137 6432 1 10 . 1 1 33 33 VAL N N 33 128.158 128.158 127.661 0.497 25137 6433 1 10 . 1 1 33 33 VAL HA H 33 4.226 4.226 4.331 -0.105 25137 6434 1 10 . 1 1 33 33 VAL C C 33 173.830 173.830 174.265 -0.435 25137 6435 1 10 . 1 1 33 33 VAL CA C 33 60.990 60.990 60.324 0.666 25137 6436 1 10 . 1 1 33 33 VAL CB C 33 33.736 33.736 33.406 0.330 25137 6437 1 10 . 1 1 33 33 VAL H H 33 9.042 9.042 8.954 0.088 25137 6438 1 10 . 1 1 34 34 VAL N N 34 126.239 126.239 128.333 -2.094 25137 6439 1 10 . 1 1 34 34 VAL HA H 34 4.751 4.751 4.204 0.547 25137 6440 1 10 . 1 1 34 34 VAL C C 34 175.100 175.100 174.603 0.497 25137 6441 1 10 . 1 1 34 34 VAL CA C 34 61.389 61.389 60.731 0.658 25137 6442 1 10 . 1 1 34 34 VAL CB C 34 33.193 33.193 32.518 0.675 25137 6443 1 10 . 1 1 34 34 VAL H H 34 8.522 8.522 8.581 -0.059 25137 6444 1 10 . 1 1 35 35 ALA N N 35 129.955 129.955 130.093 -0.138 25137 6445 1 10 . 1 1 35 35 ALA HA H 35 4.682 4.682 4.973 -0.291 25137 6446 1 10 . 1 1 35 35 ALA C C 35 174.380 174.380 175.737 -1.357 25137 6447 1 10 . 1 1 35 35 ALA CA C 35 50.154 50.154 51.133 -0.979 25137 6448 1 10 . 1 1 35 35 ALA CB C 35 22.922 22.922 22.373 0.549 25137 6449 1 10 . 1 1 35 35 ALA H H 35 9.388 9.388 8.835 0.553 25137 6450 1 10 . 1 1 36 36 ALA N N 36 121.011 121.011 123.205 -2.194 25137 6451 1 10 . 1 1 36 36 ALA HA H 36 4.632 4.632 4.636 -0.004 25137 6452 1 10 . 1 1 36 36 ALA C C 36 176.490 176.490 176.514 -0.024 25137 6453 1 10 . 1 1 36 36 ALA CA C 36 51.778 51.778 52.599 -0.821 25137 6454 1 10 . 1 1 36 36 ALA CB C 36 21.506 21.506 19.654 1.852 25137 6455 1 10 . 1 1 36 36 ALA H H 36 8.539 8.539 8.755 -0.216 25137 6456 1 10 . 1 1 37 37 THR N N 37 102.880 102.880 107.018 -4.138 25137 6457 1 10 . 1 1 37 37 THR HA H 37 4.620 4.620 4.460 0.160 25137 6458 1 10 . 1 1 37 37 THR C C 37 174.710 174.710 175.293 -0.583 25137 6459 1 10 . 1 1 37 37 THR CA C 37 57.520 57.520 60.096 -2.576 25137 6460 1 10 . 1 1 37 37 THR CB C 37 72.972 72.972 72.113 0.859 25137 6461 1 10 . 1 1 37 37 THR H H 37 7.019 7.019 7.205 -0.186 25137 6462 1 10 . 1 1 38 38 CYS N N 38 120.553 120.553 120.936 -0.383 25137 6463 1 10 . 1 1 38 38 CYS HA H 38 3.677 3.677 4.090 -0.413 25137 6464 1 10 . 1 1 38 38 CYS C C 38 176.020 176.020 176.923 -0.903 25137 6465 1 10 . 1 1 38 38 CYS CA C 38 63.179 63.179 63.802 -0.623 25137 6466 1 10 . 1 1 38 38 CYS CB C 38 26.317 26.317 27.659 -1.342 25137 6467 1 10 . 1 1 38 38 CYS H H 38 9.398 9.398 8.879 0.519 25137 6468 1 10 . 1 1 39 39 GLU N N 39 118.521 118.521 120.552 -2.031 25137 6469 1 10 . 1 1 39 39 GLU HA H 39 3.829 3.829 3.931 -0.102 25137 6470 1 10 . 1 1 39 39 GLU C C 39 179.470 179.470 179.064 0.406 25137 6471 1 10 . 1 1 39 39 GLU CA C 39 60.594 60.594 59.902 0.692 25137 6472 1 10 . 1 1 39 39 GLU CB C 39 28.963 28.963 29.234 -0.271 25137 6473 1 10 . 1 1 39 39 GLU H H 39 8.960 8.960 8.586 0.374 25137 6474 1 10 . 1 1 40 40 GLN N N 40 118.602 118.602 118.784 -0.182 25137 6475 1 10 . 1 1 40 40 GLN HA H 40 4.021 4.021 3.965 0.056 25137 6476 1 10 . 1 1 40 40 GLN C C 40 176.211 176.211 178.465 -2.254 25137 6477 1 10 . 1 1 40 40 GLN CA C 40 58.306 58.306 58.718 -0.412 25137 6478 1 10 . 1 1 40 40 GLN CB C 40 28.925 28.925 28.540 0.385 25137 6479 1 10 . 1 1 40 40 GLN H H 40 7.855 7.855 8.038 -0.183 25137 6480 1 10 . 1 1 41 41 ALA N N 41 122.395 122.395 123.218 -0.823 25137 6481 1 10 . 1 1 41 41 ALA HA H 41 3.735 3.735 3.978 -0.243 25137 6482 1 10 . 1 1 41 41 ALA C C 41 178.440 178.440 179.334 -0.894 25137 6483 1 10 . 1 1 41 41 ALA CA C 41 55.178 55.178 55.188 -0.010 25137 6484 1 10 . 1 1 41 41 ALA CB C 41 19.872 19.872 18.438 1.435 25137 6485 1 10 . 1 1 41 41 ALA H H 41 8.009 8.009 7.579 0.430 25137 6486 1 10 . 1 1 42 42 LEU N N 42 116.832 116.832 119.539 -2.707 25137 6487 1 10 . 1 1 42 42 LEU HA H 42 3.875 3.875 3.905 -0.030 25137 6488 1 10 . 1 1 42 42 LEU C C 42 180.080 180.080 179.046 1.034 25137 6489 1 10 . 1 1 42 42 LEU CA C 42 58.011 58.011 57.857 0.154 25137 6490 1 10 . 1 1 42 42 LEU CB C 42 40.961 40.961 40.860 0.101 25137 6491 1 10 . 1 1 42 42 LEU H H 42 8.497 8.497 8.485 0.012 25137 6492 1 10 . 1 1 43 43 LYS N N 43 121.087 121.087 119.786 1.301 25137 6493 1 10 . 1 1 43 43 LYS HA H 43 4.065 4.065 3.853 0.212 25137 6494 1 10 . 1 1 43 43 LYS C C 43 178.500 178.500 178.809 -0.309 25137 6495 1 10 . 1 1 43 43 LYS CA C 43 59.256 59.256 60.091 -0.835 25137 6496 1 10 . 1 1 43 43 LYS CB C 43 32.295 32.295 32.229 0.066 25137 6497 1 10 . 1 1 43 43 LYS H H 43 7.593 7.593 8.439 -0.846 25137 6498 1 10 . 1 1 44 44 SER N N 44 115.150 115.150 115.143 0.007 25137 6499 1 10 . 1 1 44 44 SER HA H 44 4.130 4.130 4.220 -0.090 25137 6500 1 10 . 1 1 44 44 SER C C 44 176.430 176.430 176.742 -0.312 25137 6501 1 10 . 1 1 44 44 SER CA C 44 62.900 62.900 61.493 1.407 25137 6502 1 10 . 1 1 44 44 SER CB C 44 62.900 62.900 62.962 -0.062 25137 6503 1 10 . 1 1 44 44 SER H H 44 8.100 8.100 7.710 0.390 25137 6504 1 10 . 1 1 45 45 LEU N N 45 120.050 120.050 122.033 -1.983 25137 6505 1 10 . 1 1 45 45 LEU HA H 45 4.121 4.121 4.009 0.112 25137 6506 1 10 . 1 1 45 45 LEU C C 45 177.260 177.260 178.853 -1.593 25137 6507 1 10 . 1 1 45 45 LEU CA C 45 56.770 56.770 58.013 -1.242 25137 6508 1 10 . 1 1 45 45 LEU CB C 45 42.389 42.389 41.761 0.628 25137 6509 1 10 . 1 1 45 45 LEU H H 45 8.050 8.050 8.424 -0.374 25137 6510 1 10 . 1 1 46 46 ALA N N 46 119.940 119.940 120.821 -0.881 25137 6511 1 10 . 1 1 46 46 ALA HA H 46 4.093 4.093 4.067 0.026 25137 6512 1 10 . 1 1 46 46 ALA C C 46 179.310 179.310 178.804 0.506 25137 6513 1 10 . 1 1 46 46 ALA CA C 46 54.126 54.126 54.750 -0.624 25137 6514 1 10 . 1 1 46 46 ALA CB C 46 18.412 18.412 18.332 0.080 25137 6515 1 10 . 1 1 46 46 ALA H H 46 7.360 7.360 7.953 -0.593 25137 6516 1 10 . 1 1 47 47 ASP N N 47 115.277 115.277 117.878 -2.601 25137 6517 1 10 . 1 1 47 47 ASP HA H 47 4.610 4.610 4.577 0.033 25137 6518 1 10 . 1 1 47 47 ASP C C 47 175.930 175.930 176.627 -0.697 25137 6519 1 10 . 1 1 47 47 ASP CA C 47 55.087 55.087 54.971 0.116 25137 6520 1 10 . 1 1 47 47 ASP CB C 47 42.364 42.364 41.826 0.538 25137 6521 1 10 . 1 1 47 47 ASP H H 47 7.583 7.583 8.016 -0.433 25137 6522 1 10 . 1 1 48 48 ASN N N 48 116.977 116.977 116.650 0.327 25137 6523 1 10 . 1 1 48 48 ASN HA H 48 5.219 5.219 5.148 0.071 25137 6524 1 10 . 1 1 48 48 ASN CA C 48 51.096 51.096 51.026 0.070 25137 6525 1 10 . 1 1 48 48 ASN CB C 48 42.381 42.381 40.592 1.789 25137 6526 1 10 . 1 1 48 48 ASN H H 48 7.727 7.727 8.315 -0.588 25137 6527 1 10 . 1 1 49 49 PRO HA H 49 4.551 4.551 4.627 -0.076 25137 6528 1 10 . 1 1 49 49 PRO C C 49 174.890 174.890 175.371 -0.481 25137 6529 1 10 . 1 1 49 49 PRO CA C 49 62.093 62.093 62.332 -0.239 25137 6530 1 10 . 1 1 49 49 PRO CB C 49 29.940 29.940 31.288 -1.349 25137 6531 1 10 . 1 1 50 50 ILE N N 50 122.280 122.280 124.403 -2.123 25137 6532 1 10 . 1 1 50 50 ILE HA H 50 3.908 3.908 3.979 -0.071 25137 6533 1 10 . 1 1 50 50 ILE C C 50 174.840 174.840 175.647 -0.807 25137 6534 1 10 . 1 1 50 50 ILE CA C 50 58.580 58.580 60.515 -1.935 25137 6535 1 10 . 1 1 50 50 ILE CB C 50 38.850 38.850 37.267 1.583 25137 6536 1 10 . 1 1 50 50 ILE H H 50 7.420 7.420 7.970 -0.550 25137 6537 1 10 . 1 1 51 51 ASP N N 51 123.770 123.770 126.500 -2.730 25137 6538 1 10 . 1 1 51 51 ASP HA H 51 4.749 4.749 4.738 0.011 25137 6539 1 10 . 1 1 51 51 ASP C C 51 175.114 175.114 175.725 -0.611 25137 6540 1 10 . 1 1 51 51 ASP CA C 51 56.930 56.930 56.417 0.513 25137 6541 1 10 . 1 1 51 51 ASP CB C 51 44.360 44.360 42.851 1.509 25137 6542 1 10 . 1 1 51 51 ASP H H 51 9.310 9.310 8.524 0.786 25137 6543 1 10 . 1 1 52 52 VAL N N 52 114.454 114.454 115.607 -1.153 25137 6544 1 10 . 1 1 52 52 VAL HA H 52 4.874 4.874 4.832 0.042 25137 6545 1 10 . 1 1 52 52 VAL C C 52 171.129 171.129 172.968 -1.839 25137 6546 1 10 . 1 1 52 52 VAL CA C 52 59.850 59.850 60.228 -0.379 25137 6547 1 10 . 1 1 52 52 VAL CB C 52 32.980 32.980 34.954 -1.974 25137 6548 1 10 . 1 1 52 52 VAL H H 52 7.580 7.580 7.824 -0.244 25137 6549 1 10 . 1 1 53 53 ALA N N 53 124.620 124.620 125.550 -0.930 25137 6550 1 10 . 1 1 53 53 ALA HA H 53 5.665 5.665 5.206 0.459 25137 6551 1 10 . 1 1 53 53 ALA C C 53 175.100 175.100 174.932 0.168 25137 6552 1 10 . 1 1 53 53 ALA CA C 53 49.810 49.810 50.139 -0.329 25137 6553 1 10 . 1 1 53 53 ALA CB C 53 25.750 25.750 22.835 2.915 25137 6554 1 10 . 1 1 53 53 ALA H H 53 7.780 7.780 8.761 -0.981 25137 6555 1 10 . 1 1 54 54 VAL N N 54 118.950 118.950 116.617 2.333 25137 6556 1 10 . 1 1 54 54 VAL HA H 54 4.647 4.647 4.973 -0.326 25137 6557 1 10 . 1 1 54 54 VAL C C 54 174.020 174.020 174.356 -0.336 25137 6558 1 10 . 1 1 54 54 VAL CA C 54 61.580 61.580 61.420 0.160 25137 6559 1 10 . 1 1 54 54 VAL CB C 54 34.320 34.320 33.861 0.459 25137 6560 1 10 . 1 1 54 54 VAL H H 54 8.730 8.730 8.717 0.013 25137 6561 1 10 . 1 1 55 55 LEU N N 55 124.820 124.820 128.683 -3.863 25137 6562 1 10 . 1 1 55 55 LEU HA H 55 4.953 4.953 4.748 0.205 25137 6563 1 10 . 1 1 55 55 LEU C C 55 176.110 176.110 175.551 0.559 25137 6564 1 10 . 1 1 55 55 LEU CA C 55 53.540 53.540 54.093 -0.553 25137 6565 1 10 . 1 1 55 55 LEU CB C 55 42.690 42.690 43.755 -1.065 25137 6566 1 10 . 1 1 55 55 LEU H H 55 9.240 9.240 9.313 -0.073 25137 6567 1 10 . 1 1 56 56 ASP N N 56 124.220 124.220 124.351 -0.131 25137 6568 1 10 . 1 1 56 56 ASP HA H 56 5.629 5.629 4.942 0.687 25137 6569 1 10 . 1 1 56 56 ASP C C 56 174.460 174.460 176.236 -1.776 25137 6570 1 10 . 1 1 56 56 ASP CA C 56 52.930 52.930 53.218 -0.288 25137 6571 1 10 . 1 1 56 56 ASP CB C 56 43.400 43.400 43.172 0.228 25137 6572 1 10 . 1 1 56 56 ASP H H 56 8.360 8.360 8.913 -0.553 25137 6573 1 10 . 1 1 57 57 VAL N N 57 119.581 119.581 122.466 -2.885 25137 6574 1 10 . 1 1 57 57 VAL HA H 57 4.239 4.239 4.042 0.197 25137 6575 1 10 . 1 1 57 57 VAL C C 57 175.480 175.480 175.627 -0.147 25137 6576 1 10 . 1 1 57 57 VAL CA C 57 64.564 64.564 62.032 2.533 25137 6577 1 10 . 1 1 57 57 VAL CB C 57 32.520 32.520 30.932 1.588 25137 6578 1 10 . 1 1 57 57 VAL H H 57 7.022 7.022 8.470 -1.448 25137 6579 1 10 . 1 1 58 58 ASN N N 58 114.490 114.490 119.300 -4.810 25137 6580 1 10 . 1 1 58 58 ASN HA H 58 4.693 4.693 4.859 -0.166 25137 6581 1 10 . 1 1 58 58 ASN C C 58 173.400 173.400 175.096 -1.696 25137 6582 1 10 . 1 1 58 58 ASN CA C 58 53.570 53.570 51.893 1.677 25137 6583 1 10 . 1 1 58 58 ASN CB C 58 38.820 38.820 38.058 0.762 25137 6584 1 10 . 1 1 58 58 ASN H H 58 8.600 8.600 8.185 0.415 25137 6585 1 10 . 1 1 59 59 LEU N N 59 130.670 130.670 119.791 10.879 25137 6586 1 10 . 1 1 59 59 LEU HA H 59 4.647 4.647 4.269 0.378 25137 6587 1 10 . 1 1 59 59 LEU C C 59 175.340 175.340 177.407 -2.067 25137 6588 1 10 . 1 1 59 59 LEU CA C 59 53.550 53.550 55.780 -2.230 25137 6589 1 10 . 1 1 59 59 LEU CB C 59 41.430 41.430 42.140 -0.710 25137 6590 1 10 . 1 1 59 59 LEU H H 59 8.260 8.260 7.956 0.304 25137 6591 1 10 . 1 1 60 60 GLY N N 60 109.030 109.030 104.507 4.523 25137 6592 1 10 . 1 1 60 60 GLY CA C 60 44.610 44.610 45.178 -0.568 25137 6593 1 10 . 1 1 60 60 GLY H H 60 7.860 7.860 7.607 0.253 25137 6594 1 10 . 1 1 61 61 PRO HA H 61 4.385 4.385 4.274 0.111 25137 6595 1 10 . 1 1 61 61 PRO C C 61 177.960 177.960 177.415 0.545 25137 6596 1 10 . 1 1 61 61 PRO CA C 61 64.888 64.888 65.132 -0.244 25137 6597 1 10 . 1 1 61 61 PRO CB C 61 32.070 32.070 32.228 -0.158 25137 6598 1 10 . 1 1 62 62 LYS N N 62 115.984 115.984 113.858 2.126 25137 6599 1 10 . 1 1 62 62 LYS HA H 62 4.524 4.524 4.446 0.078 25137 6600 1 10 . 1 1 62 62 LYS C C 62 175.810 175.810 175.607 0.203 25137 6601 1 10 . 1 1 62 62 LYS CA C 62 55.444 55.444 56.006 -0.562 25137 6602 1 10 . 1 1 62 62 LYS CB C 62 33.216 33.216 33.404 -0.188 25137 6603 1 10 . 1 1 62 62 LYS H H 62 8.625 8.625 7.827 0.798 25137 6604 1 10 . 1 1 63 63 SER N N 63 113.432 113.432 116.191 -2.759 25137 6605 1 10 . 1 1 63 63 SER HA H 63 4.609 4.609 4.193 0.416 25137 6606 1 10 . 1 1 63 63 SER C C 63 172.560 172.560 173.109 -0.549 25137 6607 1 10 . 1 1 63 63 SER CA C 63 57.715 57.715 59.021 -1.306 25137 6608 1 10 . 1 1 63 63 SER CB C 63 64.866 64.866 63.278 1.588 25137 6609 1 10 . 1 1 63 63 SER H H 63 7.389 7.389 7.908 -0.519 25137 6610 1 10 . 1 1 64 64 HIS N N 64 122.580 122.580 118.938 3.642 25137 6611 1 10 . 1 1 64 64 HIS HA H 64 5.833 5.833 4.735 1.098 25137 6612 1 10 . 1 1 64 64 HIS C C 64 176.210 176.210 174.367 1.843 25137 6613 1 10 . 1 1 64 64 HIS CA C 64 54.006 54.006 54.125 -0.119 25137 6614 1 10 . 1 1 64 64 HIS CB C 64 34.092 34.092 32.701 1.391 25137 6615 1 10 . 1 1 64 64 HIS H H 64 7.762 7.762 7.645 0.117 25137 6616 1 10 . 1 1 65 65 CYS N N 65 111.478 111.478 121.367 -9.889 25137 6617 1 10 . 1 1 65 65 CYS HA H 65 4.342 4.342 4.529 -0.187 25137 6618 1 10 . 1 1 65 65 CYS C C 65 175.881 175.881 174.803 1.078 25137 6619 1 10 . 1 1 65 65 CYS CA C 65 57.980 57.980 58.201 -0.221 25137 6620 1 10 . 1 1 65 65 CYS CB C 65 29.790 29.790 26.413 3.377 25137 6621 1 10 . 1 1 65 65 CYS H H 65 7.946 7.946 8.192 -0.246 25137 6622 1 10 . 1 1 66 66 GLY N N 66 120.340 120.340 113.219 7.121 25137 6623 1 10 . 1 1 66 66 GLY CA C 66 48.880 48.880 46.014 2.865 25137 6624 1 10 . 1 1 66 66 GLY H H 66 11.290 11.290 8.246 3.044 25137 6625 1 10 . 1 1 67 67 PRO HA H 67 4.386 4.386 4.247 0.140 25137 6626 1 10 . 1 1 67 67 PRO C C 67 179.860 179.860 178.212 1.648 25137 6627 1 10 . 1 1 67 67 PRO CA C 67 65.388 65.388 65.624 -0.236 25137 6628 1 10 . 1 1 67 67 PRO CB C 67 32.970 32.970 31.380 1.590 25137 6629 1 10 . 1 1 68 68 VAL N N 68 116.564 116.564 116.927 -0.363 25137 6630 1 10 . 1 1 68 68 VAL HA H 68 3.494 3.494 3.581 -0.087 25137 6631 1 10 . 1 1 68 68 VAL C C 68 176.350 176.350 177.408 -1.058 25137 6632 1 10 . 1 1 68 68 VAL CA C 68 64.839 64.839 66.117 -1.278 25137 6633 1 10 . 1 1 68 68 VAL CB C 68 31.396 31.396 31.166 0.230 25137 6634 1 10 . 1 1 68 68 VAL H H 68 7.471 7.471 7.877 -0.406 25137 6635 1 10 . 1 1 69 69 ALA N N 69 122.825 122.825 123.047 -0.222 25137 6636 1 10 . 1 1 69 69 ALA HA H 69 3.085 3.085 3.321 -0.236 25137 6637 1 10 . 1 1 69 69 ALA C C 69 179.280 179.280 178.937 0.343 25137 6638 1 10 . 1 1 69 69 ALA CA C 69 55.209 55.209 55.190 0.019 25137 6639 1 10 . 1 1 69 69 ALA CB C 69 18.141 18.141 18.071 0.070 25137 6640 1 10 . 1 1 69 69 ALA H H 69 7.880 7.880 7.641 0.239 25137 6641 1 10 . 1 1 70 70 ASP N N 70 116.269 116.269 118.826 -2.557 25137 6642 1 10 . 1 1 70 70 ASP HA H 70 4.314 4.314 4.282 0.032 25137 6643 1 10 . 1 1 70 70 ASP C C 70 178.300 178.300 178.026 0.274 25137 6644 1 10 . 1 1 70 70 ASP CA C 70 57.530 57.530 57.393 0.137 25137 6645 1 10 . 1 1 70 70 ASP CB C 70 40.582 40.582 40.770 -0.188 25137 6646 1 10 . 1 1 70 70 ASP H H 70 8.316 8.316 7.838 0.478 25137 6647 1 10 . 1 1 71 71 ALA N N 71 122.771 122.771 122.495 0.276 25137 6648 1 10 . 1 1 71 71 ALA HA H 71 4.045 4.045 4.006 0.039 25137 6649 1 10 . 1 1 71 71 ALA C C 71 180.700 180.700 179.943 0.757 25137 6650 1 10 . 1 1 71 71 ALA CA C 71 55.062 55.062 55.063 -0.001 25137 6651 1 10 . 1 1 71 71 ALA CB C 71 18.675 18.675 18.316 0.359 25137 6652 1 10 . 1 1 71 71 ALA H H 71 7.156 7.156 7.988 -0.832 25137 6653 1 10 . 1 1 72 72 LEU N N 72 119.021 119.021 117.672 1.349 25137 6654 1 10 . 1 1 72 72 LEU HA H 72 3.824 3.824 3.815 0.009 25137 6655 1 10 . 1 1 72 72 LEU C C 72 179.560 179.560 179.239 0.321 25137 6656 1 10 . 1 1 72 72 LEU CA C 72 58.351 58.351 57.482 0.869 25137 6657 1 10 . 1 1 72 72 LEU CB C 72 40.437 40.437 41.297 -0.860 25137 6658 1 10 . 1 1 72 72 LEU H H 72 8.250 8.250 8.254 -0.003 25137 6659 1 10 . 1 1 73 73 LYS N N 73 120.087 120.087 119.277 0.810 25137 6660 1 10 . 1 1 73 73 LYS HA H 73 4.431 4.431 4.175 0.256 25137 6661 1 10 . 1 1 73 73 LYS C C 73 181.310 181.310 180.210 1.100 25137 6662 1 10 . 1 1 73 73 LYS CA C 73 59.307 59.307 58.903 0.404 25137 6663 1 10 . 1 1 73 73 LYS CB C 73 32.404 32.404 31.569 0.835 25137 6664 1 10 . 1 1 73 73 LYS H H 73 8.383 8.383 8.303 0.080 25137 6665 1 10 . 1 1 74 74 GLN N N 74 118.982 118.982 118.328 0.654 25137 6666 1 10 . 1 1 74 74 GLN HA H 74 4.074 4.074 4.162 -0.088 25137 6667 1 10 . 1 1 74 74 GLN C C 74 177.620 177.620 177.419 0.201 25137 6668 1 10 . 1 1 74 74 GLN CA C 74 58.834 58.834 58.221 0.613 25137 6669 1 10 . 1 1 74 74 GLN CB C 74 28.505 28.505 28.458 0.047 25137 6670 1 10 . 1 1 74 74 GLN H H 74 8.015 8.015 8.371 -0.356 25137 6671 1 10 . 1 1 75 75 ARG N N 75 116.770 116.770 116.157 0.613 25137 6672 1 10 . 1 1 75 75 ARG HA H 75 4.272 4.272 4.412 -0.140 25137 6673 1 10 . 1 1 75 75 ARG C C 75 174.310 174.310 175.167 -0.857 25137 6674 1 10 . 1 1 75 75 ARG CA C 75 55.950 55.950 55.276 0.674 25137 6675 1 10 . 1 1 75 75 ARG CB C 75 31.780 31.780 30.339 1.441 25137 6676 1 10 . 1 1 75 75 ARG H H 75 7.240 7.240 7.436 -0.196 25137 6677 1 10 . 1 1 76 76 ALA N N 76 122.020 122.020 120.662 1.358 25137 6678 1 10 . 1 1 76 76 ALA HA H 76 4.050 4.050 4.049 0.001 25137 6679 1 10 . 1 1 76 76 ALA C C 76 176.240 176.240 176.926 -0.686 25137 6680 1 10 . 1 1 76 76 ALA CA C 76 53.170 53.170 52.702 0.468 25137 6681 1 10 . 1 1 76 76 ALA CB C 76 16.650 16.650 17.144 -0.494 25137 6682 1 10 . 1 1 76 76 ALA H H 76 8.065 8.065 7.384 0.681 25137 6683 1 10 . 1 1 77 77 ILE N N 77 122.300 122.300 119.865 2.435 25137 6684 1 10 . 1 1 77 77 ILE HA H 77 4.502 4.502 4.284 0.218 25137 6685 1 10 . 1 1 77 77 ILE CA C 77 58.610 58.610 59.005 -0.395 25137 6686 1 10 . 1 1 77 77 ILE CB C 77 40.000 40.000 38.406 1.595 25137 6687 1 10 . 1 1 77 77 ILE H H 77 8.080 8.080 8.021 0.059 25137 6688 1 10 . 1 1 78 78 PRO HA H 78 4.454 4.454 4.562 -0.108 25137 6689 1 10 . 1 1 78 78 PRO C C 78 174.680 174.680 175.486 -0.806 25137 6690 1 10 . 1 1 78 78 PRO CA C 78 62.622 62.622 62.776 -0.154 25137 6691 1 10 . 1 1 78 78 PRO CB C 78 32.772 32.772 32.216 0.556 25137 6692 1 10 . 1 1 79 79 PHE N N 79 109.800 109.800 116.054 -6.254 25137 6693 1 10 . 1 1 79 79 PHE HA H 79 5.656 5.656 5.553 0.103 25137 6694 1 10 . 1 1 79 79 PHE C C 79 172.780 172.780 173.563 -0.783 25137 6695 1 10 . 1 1 79 79 PHE CA C 79 55.612 55.612 55.777 -0.165 25137 6696 1 10 . 1 1 79 79 PHE CB C 79 42.181 42.181 42.344 -0.163 25137 6697 1 10 . 1 1 79 79 PHE H H 79 7.463 7.463 7.962 -0.499 25137 6698 1 10 . 1 1 80 80 ILE N N 80 114.746 114.746 120.316 -5.570 25137 6699 1 10 . 1 1 80 80 ILE HA H 80 4.545 4.545 4.720 -0.175 25137 6700 1 10 . 1 1 80 80 ILE C C 80 174.750 174.750 175.335 -0.585 25137 6701 1 10 . 1 1 80 80 ILE CA C 80 58.914 58.914 59.607 -0.693 25137 6702 1 10 . 1 1 80 80 ILE CB C 80 43.079 43.079 42.044 1.035 25137 6703 1 10 . 1 1 80 80 ILE H H 80 8.024 8.024 8.384 -0.360 25137 6704 1 10 . 1 1 81 81 LEU N N 81 124.450 124.450 126.861 -2.411 25137 6705 1 10 . 1 1 81 81 LEU HA H 81 5.470 5.470 5.072 0.398 25137 6706 1 10 . 1 1 81 81 LEU C C 81 175.620 175.620 176.275 -0.655 25137 6707 1 10 . 1 1 81 81 LEU CA C 81 53.345 53.345 53.456 -0.111 25137 6708 1 10 . 1 1 81 81 LEU CB C 81 43.304 43.304 39.974 3.329 25137 6709 1 10 . 1 1 81 81 LEU H H 81 8.935 8.935 9.006 -0.071 25137 6710 1 10 . 1 1 82 82 HIS N N 82 126.167 126.167 126.179 -0.012 25137 6711 1 10 . 1 1 82 82 HIS HA H 82 5.880 5.880 5.497 0.383 25137 6712 1 10 . 1 1 82 82 HIS C C 82 172.730 172.730 174.559 -1.829 25137 6713 1 10 . 1 1 82 82 HIS CA C 82 52.947 52.947 53.894 -0.947 25137 6714 1 10 . 1 1 82 82 HIS CB C 82 31.171 31.171 30.241 0.930 25137 6715 1 10 . 1 1 82 82 HIS H H 82 8.828 8.828 8.688 0.140 25137 6716 1 10 . 1 1 83 83 THR N N 83 114.001 114.001 119.313 -5.312 25137 6717 1 10 . 1 1 83 83 THR HA H 83 5.305 5.305 4.929 0.376 25137 6718 1 10 . 1 1 83 83 THR C C 83 172.800 172.800 173.850 -1.050 25137 6719 1 10 . 1 1 83 83 THR CA C 83 58.807 58.807 59.803 -0.996 25137 6720 1 10 . 1 1 83 83 THR CB C 83 69.366 69.366 71.364 -1.998 25137 6721 1 10 . 1 1 83 83 THR H H 83 7.252 7.252 7.643 -0.391 25137 6722 1 10 . 1 1 84 84 GLY N N 84 115.666 115.666 110.482 5.184 25137 6723 1 10 . 1 1 84 84 GLY C C 84 173.764 173.764 174.697 -0.933 25137 6724 1 10 . 1 1 84 84 GLY CA C 84 45.284 45.284 45.249 0.035 25137 6725 1 10 . 1 1 84 84 GLY H H 84 8.483 8.483 8.972 -0.489 25137 6726 1 10 . 1 1 85 85 ASP N N 85 123.490 123.490 124.026 -0.536 25137 6727 1 10 . 1 1 85 85 ASP HA H 85 4.982 4.982 4.962 0.020 25137 6728 1 10 . 1 1 85 85 ASP C C 85 175.829 175.829 176.372 -0.543 25137 6729 1 10 . 1 1 85 85 ASP CA C 85 53.420 53.420 53.261 0.159 25137 6730 1 10 . 1 1 85 85 ASP CB C 85 41.560 41.560 39.519 2.041 25137 6731 1 10 . 1 1 85 85 ASP H H 85 8.510 8.510 8.346 0.164 25137 6732 1 10 . 1 1 86 86 LEU N N 86 122.010 122.010 120.715 1.295 25137 6733 1 10 . 1 1 86 86 LEU HA H 86 3.997 3.997 4.024 -0.027 25137 6734 1 10 . 1 1 86 86 LEU C C 86 178.242 178.242 177.795 0.447 25137 6735 1 10 . 1 1 86 86 LEU CA C 86 57.410 57.410 58.338 -0.928 25137 6736 1 10 . 1 1 86 86 LEU CB C 86 42.000 42.000 42.172 -0.172 25137 6737 1 10 . 1 1 86 86 LEU H H 86 8.210 8.210 7.404 0.806 25137 6738 1 10 . 1 1 87 87 ASP N N 87 117.260 117.260 117.584 -0.324 25137 6739 1 10 . 1 1 87 87 ASP HA H 87 4.535 4.535 4.450 0.085 25137 6740 1 10 . 1 1 87 87 ASP C C 87 178.351 178.351 179.061 -0.710 25137 6741 1 10 . 1 1 87 87 ASP CA C 87 56.010 56.010 56.612 -0.602 25137 6742 1 10 . 1 1 87 87 ASP CB C 87 41.400 41.400 40.804 0.596 25137 6743 1 10 . 1 1 87 87 ASP H H 87 8.290 8.290 8.484 -0.194 25137 6744 1 10 . 1 1 88 88 ARG N N 88 120.750 120.750 119.820 0.930 25137 6745 1 10 . 1 1 88 88 ARG HA H 88 4.015 4.015 4.027 -0.012 25137 6746 1 10 . 1 1 88 88 ARG C C 88 177.300 177.300 177.628 -0.328 25137 6747 1 10 . 1 1 88 88 ARG CA C 88 58.340 58.340 58.434 -0.094 25137 6748 1 10 . 1 1 88 88 ARG CB C 88 30.460 30.460 30.252 0.208 25137 6749 1 10 . 1 1 88 88 ARG H H 88 8.040 8.040 8.554 -0.514 25137 6750 1 10 . 1 1 89 89 HIS N N 89 115.580 115.580 115.630 -0.050 25137 6751 1 10 . 1 1 89 89 HIS HA H 89 5.026 5.026 4.865 0.161 25137 6752 1 10 . 1 1 89 89 HIS C C 89 175.670 175.670 175.469 0.201 25137 6753 1 10 . 1 1 89 89 HIS CA C 89 55.300 55.300 55.116 0.184 25137 6754 1 10 . 1 1 89 89 HIS CB C 89 29.890 29.890 30.054 -0.164 25137 6755 1 10 . 1 1 89 89 HIS H H 89 7.900 7.900 8.038 -0.138 25137 6756 1 10 . 1 1 90 90 GLY N N 90 108.320 108.320 109.094 -0.774 25137 6757 1 10 . 1 1 90 90 GLY C C 90 175.880 175.880 175.367 0.513 25137 6758 1 10 . 1 1 90 90 GLY CA C 90 48.310 48.310 47.191 1.119 25137 6759 1 10 . 1 1 90 90 GLY H H 90 7.790 7.790 7.710 0.080 25137 6760 1 10 . 1 1 91 91 GLU N N 91 120.490 120.490 121.588 -1.098 25137 6761 1 10 . 1 1 91 91 GLU HA H 91 4.043 4.043 4.029 0.014 25137 6762 1 10 . 1 1 91 91 GLU C C 91 178.410 178.410 178.380 0.030 25137 6763 1 10 . 1 1 91 91 GLU CA C 91 59.200 59.200 59.136 0.064 25137 6764 1 10 . 1 1 91 91 GLU CB C 91 29.240 29.240 29.134 0.106 25137 6765 1 10 . 1 1 91 91 GLU H H 91 8.580 8.580 8.243 0.337 25137 6766 1 10 . 1 1 92 92 LEU N N 92 121.740 121.740 120.798 0.942 25137 6767 1 10 . 1 1 92 92 LEU HA H 92 4.048 4.048 4.027 0.021 25137 6768 1 10 . 1 1 92 92 LEU C C 92 178.630 178.630 178.870 -0.240 25137 6769 1 10 . 1 1 92 92 LEU CA C 92 57.690 57.690 57.878 -0.188 25137 6770 1 10 . 1 1 92 92 LEU CB C 92 41.820 41.820 41.786 0.034 25137 6771 1 10 . 1 1 92 92 LEU H H 92 7.690 7.690 8.022 -0.332 25137 6772 1 10 . 1 1 93 93 LEU N N 93 117.310 117.310 119.163 -1.853 25137 6773 1 10 . 1 1 93 93 LEU HA H 93 3.881 3.881 3.827 0.054 25137 6774 1 10 . 1 1 93 93 LEU C C 93 174.967 174.967 179.032 -4.065 25137 6775 1 10 . 1 1 93 93 LEU CA C 93 57.940 57.940 58.163 -0.223 25137 6776 1 10 . 1 1 93 93 LEU CB C 93 40.640 40.640 41.144 -0.504 25137 6777 1 10 . 1 1 93 93 LEU H H 93 8.160 8.160 8.499 -0.339 25137 6778 1 10 . 1 1 94 94 ARG N N 94 117.940 117.940 118.598 -0.658 25137 6779 1 10 . 1 1 94 94 ARG HA H 94 4.120 4.120 4.115 0.005 25137 6780 1 10 . 1 1 94 94 ARG C C 94 177.870 177.870 178.506 -0.636 25137 6781 1 10 . 1 1 94 94 ARG CA C 94 58.450 58.450 58.229 0.221 25137 6782 1 10 . 1 1 94 94 ARG CB C 94 30.370 30.370 29.691 0.679 25137 6783 1 10 . 1 1 94 94 ARG H H 94 7.770 7.770 8.102 -0.333 25137 6784 1 10 . 1 1 95 95 LYS N N 95 118.380 118.380 117.750 0.630 25137 6785 1 10 . 1 1 95 95 LYS HA H 95 4.160 4.160 4.174 -0.014 25137 6786 1 10 . 1 1 95 95 LYS C C 95 177.730 177.730 178.299 -0.569 25137 6787 1 10 . 1 1 95 95 LYS CA C 95 57.600 57.600 58.498 -0.898 25137 6788 1 10 . 1 1 95 95 LYS CB C 95 32.770 32.770 32.837 -0.067 25137 6789 1 10 . 1 1 95 95 LYS H H 95 7.640 7.640 7.486 0.154 25137 6790 1 10 . 1 1 96 96 ILE N N 96 120.160 120.160 117.932 2.228 25137 6791 1 10 . 1 1 96 96 ILE HA H 96 3.781 3.781 3.908 -0.127 25137 6792 1 10 . 1 1 96 96 ILE C C 96 175.840 175.840 175.772 0.068 25137 6793 1 10 . 1 1 96 96 ILE CA C 96 63.720 63.720 63.849 -0.129 25137 6794 1 10 . 1 1 96 96 ILE CB C 96 38.670 38.670 38.728 -0.058 25137 6795 1 10 . 1 1 96 96 ILE H H 96 7.980 7.980 7.797 0.183 25137 6796 1 10 . 1 1 97 97 ASP N N 97 120.510 120.510 119.943 0.567 25137 6797 1 10 . 1 1 97 97 ASP HA H 97 4.380 4.380 4.236 0.144 25137 6798 1 10 . 1 1 97 97 ASP C C 97 173.580 173.580 173.789 -0.209 25137 6799 1 10 . 1 1 97 97 ASP CA C 97 54.300 54.300 55.196 -0.896 25137 6800 1 10 . 1 1 97 97 ASP CB C 97 39.490 39.490 40.373 -0.883 25137 6801 1 10 . 1 1 97 97 ASP H H 97 8.160 8.160 8.112 0.048 25137 6802 1 10 . 1 1 98 98 ALA N N 98 123.800 123.800 123.769 0.031 25137 6803 1 10 . 1 1 98 98 ALA HA H 98 4.550 4.550 4.500 0.050 25137 6804 1 10 . 1 1 98 98 ALA CA C 98 49.860 49.860 50.400 -0.540 25137 6805 1 10 . 1 1 98 98 ALA CB C 98 21.070 21.070 20.755 0.315 25137 6806 1 10 . 1 1 98 98 ALA H H 98 7.680 7.680 7.921 -0.241 25137 6807 1 10 . 1 1 99 99 PRO HA H 99 4.370 4.370 4.407 -0.037 25137 6808 1 10 . 1 1 99 99 PRO C C 99 174.760 174.760 175.581 -0.821 25137 6809 1 10 . 1 1 99 99 PRO CA C 99 62.950 62.950 63.107 -0.157 25137 6810 1 10 . 1 1 99 99 PRO CB C 99 32.310 32.310 31.935 0.375 25137 6811 1 10 . 1 1 100 100 VAL N N 100 120.490 120.490 123.107 -2.617 25137 6812 1 10 . 1 1 100 100 VAL HA H 100 4.832 4.832 4.644 0.188 25137 6813 1 10 . 1 1 100 100 VAL C C 100 176.650 176.650 175.557 1.093 25137 6814 1 10 . 1 1 100 100 VAL CA C 100 60.450 60.450 61.863 -1.413 25137 6815 1 10 . 1 1 100 100 VAL CB C 100 34.830 34.830 34.278 0.552 25137 6816 1 10 . 1 1 100 100 VAL H H 100 8.270 8.270 8.275 -0.005 25137 6817 1 10 . 1 1 101 101 MET N N 101 127.420 127.420 126.890 0.530 25137 6818 1 10 . 1 1 101 101 MET HA H 101 4.705 4.705 4.737 -0.032 25137 6819 1 10 . 1 1 101 101 MET C C 101 174.490 174.490 175.072 -0.582 25137 6820 1 10 . 1 1 101 101 MET CA C 101 54.730 54.730 53.236 1.494 25137 6821 1 10 . 1 1 101 101 MET CB C 101 34.560 34.560 33.066 1.494 25137 6822 1 10 . 1 1 101 101 MET H H 101 9.240 9.240 9.128 0.112 25137 6823 1 10 . 1 1 102 102 ALA N N 102 128.590 128.590 128.743 -0.153 25137 6824 1 10 . 1 1 102 102 ALA HA H 102 4.608 4.608 4.742 -0.134 25137 6825 1 10 . 1 1 102 102 ALA C C 102 177.935 177.935 177.432 0.503 25137 6826 1 10 . 1 1 102 102 ALA CA C 102 51.930 51.930 51.944 -0.014 25137 6827 1 10 . 1 1 102 102 ALA CB C 102 19.040 19.040 19.846 -0.806 25137 6828 1 10 . 1 1 102 102 ALA H H 102 8.760 8.760 8.593 0.167 25137 6829 1 10 . 1 1 103 103 LYS N N 103 120.200 120.200 123.629 -3.429 25137 6830 1 10 . 1 1 103 103 LYS HA H 103 4.284 4.284 4.935 -0.651 25137 6831 1 10 . 1 1 103 103 LYS CA C 103 54.370 54.370 54.229 0.141 25137 6832 1 10 . 1 1 103 103 LYS CB C 103 34.190 34.190 32.365 1.825 25137 6833 1 10 . 1 1 103 103 LYS H H 103 7.300 7.300 7.991 -0.691 25137 6834 1 10 . 1 1 104 104 PRO HA H 104 4.611 4.611 4.554 0.057 25137 6835 1 10 . 1 1 104 104 PRO C C 104 174.980 174.980 175.742 -0.762 25137 6836 1 10 . 1 1 104 104 PRO CA C 104 62.626 62.626 62.716 -0.090 25137 6837 1 10 . 1 1 104 104 PRO CB C 104 33.867 33.867 32.440 1.427 25137 6838 1 10 . 1 1 105 105 ALA N N 105 125.082 125.082 124.017 1.065 25137 6839 1 10 . 1 1 105 105 ALA HA H 105 4.576 4.576 4.497 0.079 25137 6840 1 10 . 1 1 105 105 ALA C C 105 176.890 176.890 175.643 1.247 25137 6841 1 10 . 1 1 105 105 ALA CA C 105 51.177 51.177 51.272 -0.095 25137 6842 1 10 . 1 1 105 105 ALA CB C 105 21.735 21.735 21.214 0.521 25137 6843 1 10 . 1 1 105 105 ALA H H 105 8.668 8.668 8.092 0.576 25137 6844 1 10 . 1 1 106 106 ASP N N 106 122.306 122.306 122.815 -0.509 25137 6845 1 10 . 1 1 106 106 ASP HA H 106 4.636 4.636 4.642 -0.006 25137 6846 1 10 . 1 1 106 106 ASP C C 106 178.383 178.383 177.722 0.661 25137 6847 1 10 . 1 1 106 106 ASP CA C 106 54.312 54.312 54.328 -0.016 25137 6848 1 10 . 1 1 106 106 ASP CB C 106 41.260 41.260 42.699 -1.439 25137 6849 1 10 . 1 1 106 106 ASP H H 106 8.867 8.867 8.401 0.466 25137 6850 1 10 . 1 1 107 107 THR N N 107 119.540 119.540 117.255 2.285 25137 6851 1 10 . 1 1 107 107 THR HA H 107 3.573 3.573 3.992 -0.419 25137 6852 1 10 . 1 1 107 107 THR C C 107 176.393 176.393 176.365 0.028 25137 6853 1 10 . 1 1 107 107 THR CA C 107 65.940 65.940 64.323 1.617 25137 6854 1 10 . 1 1 107 107 THR CB C 107 68.191 68.191 68.819 -0.627 25137 6855 1 10 . 1 1 107 107 THR H H 107 8.658 8.658 8.491 0.167 25137 6856 1 10 . 1 1 108 108 SER N N 108 117.095 117.095 117.425 -0.330 25137 6857 1 10 . 1 1 108 108 SER HA H 108 4.140 4.140 4.011 0.129 25137 6858 1 10 . 1 1 108 108 SER C C 108 176.143 176.143 176.131 0.012 25137 6859 1 10 . 1 1 108 108 SER CA C 108 61.650 61.650 62.347 -0.697 25137 6860 1 10 . 1 1 108 108 SER CB C 108 62.450 62.450 62.450 -0.000 25137 6861 1 10 . 1 1 108 108 SER H H 108 8.480 8.480 8.807 -0.327 25137 6862 1 10 . 1 1 109 109 ASP N N 109 122.520 122.520 123.873 -1.353 25137 6863 1 10 . 1 1 109 109 ASP HA H 109 4.400 4.400 4.316 0.084 25137 6864 1 10 . 1 1 109 109 ASP C C 109 178.499 178.499 178.362 0.137 25137 6865 1 10 . 1 1 109 109 ASP CA C 109 56.990 56.990 58.193 -1.203 25137 6866 1 10 . 1 1 109 109 ASP CB C 109 40.560 40.560 40.488 0.072 25137 6867 1 10 . 1 1 109 109 ASP H H 109 7.350 7.350 7.681 -0.331 25137 6868 1 10 . 1 1 110 110 VAL N N 110 120.210 120.210 119.179 1.031 25137 6869 1 10 . 1 1 110 110 VAL HA H 110 3.262 3.262 3.552 -0.290 25137 6870 1 10 . 1 1 110 110 VAL C C 110 176.535 176.535 177.948 -1.413 25137 6871 1 10 . 1 1 110 110 VAL CA C 110 66.090 66.090 65.901 0.189 25137 6872 1 10 . 1 1 110 110 VAL CB C 110 31.400 31.400 30.779 0.621 25137 6873 1 10 . 1 1 110 110 VAL H H 110 7.440 7.440 7.516 -0.076 25137 6874 1 10 . 1 1 111 111 ALA N N 111 118.790 118.790 122.011 -3.221 25137 6875 1 10 . 1 1 111 111 ALA HA H 111 3.264 3.264 2.885 0.379 25137 6876 1 10 . 1 1 111 111 ALA C C 111 179.030 179.030 179.328 -0.298 25137 6877 1 10 . 1 1 111 111 ALA CA C 111 54.590 54.590 54.886 -0.296 25137 6878 1 10 . 1 1 111 111 ALA CB C 111 16.480 16.480 17.460 -0.981 25137 6879 1 10 . 1 1 111 111 ALA H H 111 7.610 7.610 8.094 -0.484 25137 6880 1 10 . 1 1 112 112 LYS N N 112 115.540 115.540 118.397 -2.857 25137 6881 1 10 . 1 1 112 112 LYS HA H 112 3.750 3.750 3.931 -0.181 25137 6882 1 10 . 1 1 112 112 LYS C C 112 179.470 179.470 179.324 0.146 25137 6883 1 10 . 1 1 112 112 LYS CA C 112 60.020 60.020 59.627 0.393 25137 6884 1 10 . 1 1 112 112 LYS CB C 112 32.680 32.680 32.274 0.406 25137 6885 1 10 . 1 1 112 112 LYS H H 112 7.840 7.840 8.037 -0.197 25137 6886 1 10 . 1 1 113 113 ARG N N 113 118.590 118.590 117.694 0.896 25137 6887 1 10 . 1 1 113 113 ARG HA H 113 4.021 4.021 4.361 -0.340 25137 6888 1 10 . 1 1 113 113 ARG C C 113 179.120 179.120 178.806 0.314 25137 6889 1 10 . 1 1 113 113 ARG CA C 113 58.180 58.180 57.861 0.320 25137 6890 1 10 . 1 1 113 113 ARG CB C 113 29.530 29.530 29.571 -0.041 25137 6891 1 10 . 1 1 113 113 ARG H H 113 7.860 7.860 7.882 -0.022 25137 6892 1 10 . 1 1 114 114 ALA N N 114 120.520 120.520 122.572 -2.052 25137 6893 1 10 . 1 1 114 114 ALA HA H 114 4.046 4.046 4.248 -0.202 25137 6894 1 10 . 1 1 114 114 ALA C C 114 179.280 179.280 179.658 -0.378 25137 6895 1 10 . 1 1 114 114 ALA CA C 114 55.070 55.070 54.834 0.235 25137 6896 1 10 . 1 1 114 114 ALA CB C 114 17.920 17.920 18.896 -0.976 25137 6897 1 10 . 1 1 114 114 ALA H H 114 8.190 8.190 7.635 0.555 25137 6898 1 10 . 1 1 115 115 LEU N N 115 115.820 115.820 118.503 -2.683 25137 6899 1 10 . 1 1 115 115 LEU HA H 115 4.225 4.225 4.045 0.180 25137 6900 1 10 . 1 1 115 115 LEU C C 115 180.490 180.490 179.019 1.471 25137 6901 1 10 . 1 1 115 115 LEU CA C 115 57.600 57.600 57.662 -0.062 25137 6902 1 10 . 1 1 115 115 LEU CB C 115 40.590 40.590 41.934 -1.344 25137 6903 1 10 . 1 1 115 115 LEU H H 115 8.320 8.320 8.755 -0.435 25137 6904 1 10 . 1 1 116 116 GLU N N 116 119.789 119.789 118.706 1.083 25137 6905 1 10 . 1 1 116 116 GLU HA H 116 4.109 4.109 4.185 -0.076 25137 6906 1 10 . 1 1 116 116 GLU C C 116 178.790 178.790 178.977 -0.187 25137 6907 1 10 . 1 1 116 116 GLU CA C 116 58.625 58.625 58.748 -0.123 25137 6908 1 10 . 1 1 116 116 GLU CB C 116 29.548 29.548 29.002 0.546 25137 6909 1 10 . 1 1 116 116 GLU H H 116 7.904 7.904 8.319 -0.415 25137 6910 1 10 . 1 1 117 117 MET N N 117 116.426 116.426 117.793 -1.367 25137 6911 1 10 . 1 1 117 117 MET HA H 117 4.245 4.245 4.345 -0.100 25137 6912 1 10 . 1 1 117 117 MET C C 117 176.890 176.890 177.258 -0.368 25137 6913 1 10 . 1 1 117 117 MET CA C 117 57.638 57.638 57.600 0.038 25137 6914 1 10 . 1 1 117 117 MET CB C 117 33.467 33.467 32.921 0.546 25137 6915 1 10 . 1 1 117 117 MET H H 117 7.712 7.712 7.701 0.011 25137 6916 1 10 . 1 1 118 118 CYS N N 118 113.993 113.993 119.001 -5.008 25137 6917 1 10 . 1 1 118 118 CYS HA H 118 4.699 4.699 4.531 0.168 25137 6918 1 10 . 1 1 118 118 CYS C C 118 174.750 174.750 175.982 -1.232 25137 6919 1 10 . 1 1 118 118 CYS CA C 118 58.541 58.541 59.658 -1.117 25137 6920 1 10 . 1 1 118 118 CYS CB C 118 28.552 28.552 30.075 -1.523 25137 6921 1 10 . 1 1 118 118 CYS H H 118 7.428 7.428 7.772 -0.344 25137 6922 1 10 . 1 1 119 119 GLY N N 119 109.823 109.823 106.281 3.542 25137 6923 1 10 . 1 1 119 119 GLY C C 119 174.660 174.660 173.786 0.874 25137 6924 1 10 . 1 1 119 119 GLY CA C 119 45.709 45.709 45.021 0.688 25137 6925 1 10 . 1 1 119 119 GLY H H 119 8.056 8.056 8.437 -0.381 25137 6926 1 10 . 1 1 120 120 GLY N N 120 108.821 108.821 108.208 0.613 25137 6927 1 10 . 1 1 120 120 GLY C C 120 173.790 173.790 174.025 -0.235 25137 6928 1 10 . 1 1 120 120 GLY CA C 120 45.326 45.326 45.969 -0.643 25137 6929 1 10 . 1 1 120 120 GLY H H 120 8.301 8.301 8.261 0.040 25137 6930 1 10 . 1 1 121 121 ASP N N 121 120.383 120.383 118.390 1.993 25137 6931 1 10 . 1 1 121 121 ASP HA H 121 4.591 4.591 4.374 0.217 25137 6932 1 10 . 1 1 121 121 ASP C C 121 176.160 176.160 175.088 1.072 25137 6933 1 10 . 1 1 121 121 ASP CA C 121 54.313 54.313 55.004 -0.691 25137 6934 1 10 . 1 1 121 121 ASP CB C 121 41.079 41.079 40.633 0.446 25137 6935 1 10 . 1 1 121 121 ASP H H 121 8.438 8.438 8.033 0.405 25137 6936 1 10 . 1 1 122 122 LYS N N 122 121.450 121.450 118.622 2.828 25137 6937 1 10 . 1 1 122 122 LYS HA H 122 4.350 4.350 4.458 -0.108 25137 6938 1 10 . 1 1 122 122 LYS C C 122 177.184 177.184 174.385 2.799 25137 6939 1 10 . 1 1 122 122 LYS CA C 122 55.890 55.890 55.987 -0.097 25137 6940 1 10 . 1 1 122 122 LYS CB C 122 33.190 33.190 34.466 -1.276 25137 6941 1 10 . 1 1 122 122 LYS H H 122 8.258 8.258 7.696 0.562 25137 6942 1 10 . 1 1 123 123 GLU N N 123 123.560 123.560 124.726 -1.166 25137 6943 1 10 . 1 1 123 123 GLU HA H 123 4.550 4.550 4.698 -0.148 25137 6944 1 10 . 1 1 123 123 GLU CA C 123 54.470 54.470 53.414 1.056 25137 6945 1 10 . 1 1 123 123 GLU CB C 123 29.640 29.640 30.228 -0.588 25137 6946 1 10 . 1 1 123 123 GLU H H 123 8.420 8.420 8.400 0.020 25137 6947 1 10 . 1 1 124 124 PRO HA H 124 4.384 4.384 4.493 -0.109 25137 6948 1 10 . 1 1 124 124 PRO C C 124 175.770 175.770 175.450 0.320 25137 6949 1 10 . 1 1 124 124 PRO CA C 124 63.350 63.350 63.108 0.242 25137 6950 1 10 . 1 1 124 124 PRO CB C 124 32.300 32.300 32.278 0.022 25137 6951 1 11 . 1 1 2 2 ALA N N 2 123.423 123.423 123.085 0.338 25137 6952 1 11 . 1 1 2 2 ALA HA H 2 4.357 4.357 4.157 0.200 25137 6953 1 11 . 1 1 2 2 ALA C C 2 177.811 177.811 176.745 1.066 25137 6954 1 11 . 1 1 2 2 ALA CA C 2 52.652 52.652 52.625 0.027 25137 6955 1 11 . 1 1 2 2 ALA CB C 2 19.488 19.488 18.230 1.258 25137 6956 1 11 . 1 1 2 2 ALA H H 2 7.983 7.983 8.088 -0.105 25137 6957 1 11 . 1 1 3 3 MET N N 3 119.390 119.390 118.758 0.632 25137 6958 1 11 . 1 1 3 3 MET HA H 3 4.482 4.482 4.550 -0.068 25137 6959 1 11 . 1 1 3 3 MET C C 3 176.569 176.569 175.902 0.667 25137 6960 1 11 . 1 1 3 3 MET CA C 3 55.570 55.570 55.399 0.171 25137 6961 1 11 . 1 1 3 3 MET CB C 3 32.900 32.900 33.051 -0.151 25137 6962 1 11 . 1 1 3 3 MET H H 3 8.570 8.570 8.031 0.539 25137 6963 1 11 . 1 1 4 4 GLY N N 4 110.130 110.130 110.734 -0.604 25137 6964 1 11 . 1 1 4 4 GLY C C 4 173.630 173.630 173.575 0.055 25137 6965 1 11 . 1 1 4 4 GLY CA C 4 45.270 45.270 44.822 0.448 25137 6966 1 11 . 1 1 4 4 GLY H H 4 8.370 8.370 8.401 -0.031 25137 6967 1 11 . 1 1 5 5 MET N N 5 121.570 121.570 118.834 2.736 25137 6968 1 11 . 1 1 5 5 MET HA H 5 4.780 4.780 4.374 0.406 25137 6969 1 11 . 1 1 5 5 MET CA C 5 53.630 53.630 54.963 -1.333 25137 6970 1 11 . 1 1 5 5 MET CB C 5 33.140 33.140 32.700 0.440 25137 6971 1 11 . 1 1 5 5 MET H H 5 8.210 8.210 8.061 0.149 25137 6972 1 11 . 1 1 6 6 PRO HA H 6 4.505 4.505 4.555 -0.050 25137 6973 1 11 . 1 1 6 6 PRO C C 6 174.520 174.520 175.921 -1.401 25137 6974 1 11 . 1 1 6 6 PRO CA C 6 62.980 62.980 62.443 0.537 25137 6975 1 11 . 1 1 6 6 PRO CB C 6 32.400 32.400 32.528 -0.128 25137 6976 1 11 . 1 1 7 7 LYS N N 7 123.443 123.443 125.626 -2.183 25137 6977 1 11 . 1 1 7 7 LYS HA H 7 5.000 5.000 4.746 0.254 25137 6978 1 11 . 1 1 7 7 LYS C C 7 175.920 175.920 176.073 -0.153 25137 6979 1 11 . 1 1 7 7 LYS CA C 7 54.911 54.911 55.244 -0.333 25137 6980 1 11 . 1 1 7 7 LYS CB C 7 33.635 33.635 32.491 1.144 25137 6981 1 11 . 1 1 7 7 LYS H H 7 9.675 9.675 9.458 0.217 25137 6982 1 11 . 1 1 8 8 VAL N N 8 125.859 125.859 127.830 -1.971 25137 6983 1 11 . 1 1 8 8 VAL HA H 8 4.723 4.723 4.906 -0.183 25137 6984 1 11 . 1 1 8 8 VAL C C 8 174.630 174.630 174.004 0.626 25137 6985 1 11 . 1 1 8 8 VAL CA C 8 59.726 59.726 60.849 -1.123 25137 6986 1 11 . 1 1 8 8 VAL CB C 8 34.991 34.991 33.485 1.506 25137 6987 1 11 . 1 1 8 8 VAL H H 8 8.851 8.851 9.123 -0.272 25137 6988 1 11 . 1 1 9 9 LEU N N 9 127.114 127.114 129.856 -2.742 25137 6989 1 11 . 1 1 9 9 LEU HA H 9 5.190 5.190 4.906 0.284 25137 6990 1 11 . 1 1 9 9 LEU C C 9 174.090 174.090 174.591 -0.501 25137 6991 1 11 . 1 1 9 9 LEU CA C 9 53.090 53.090 53.066 0.024 25137 6992 1 11 . 1 1 9 9 LEU CB C 9 45.007 45.007 44.121 0.886 25137 6993 1 11 . 1 1 9 9 LEU H H 9 7.881 7.881 8.700 -0.819 25137 6994 1 11 . 1 1 10 10 VAL N N 10 128.024 128.024 128.510 -0.486 25137 6995 1 11 . 1 1 10 10 VAL HA H 10 4.647 4.647 4.409 0.238 25137 6996 1 11 . 1 1 10 10 VAL C C 10 172.900 172.900 174.134 -1.234 25137 6997 1 11 . 1 1 10 10 VAL CA C 10 61.206 61.206 62.248 -1.042 25137 6998 1 11 . 1 1 10 10 VAL CB C 10 34.541 34.541 32.803 1.738 25137 6999 1 11 . 1 1 10 10 VAL H H 10 8.952 8.952 9.258 -0.305 25137 7000 1 11 . 1 1 11 11 LEU N N 11 128.979 128.979 130.150 -1.171 25137 7001 1 11 . 1 1 11 11 LEU HA H 11 5.504 5.504 5.294 0.210 25137 7002 1 11 . 1 1 11 11 LEU C C 11 174.450 174.450 175.332 -0.882 25137 7003 1 11 . 1 1 11 11 LEU CA C 11 52.328 52.328 53.112 -0.784 25137 7004 1 11 . 1 1 11 11 LEU CB C 11 45.000 45.000 41.334 3.666 25137 7005 1 11 . 1 1 11 11 LEU H H 11 8.433 8.433 9.201 -0.768 25137 7006 1 11 . 1 1 12 12 GLU N N 12 128.158 128.158 125.084 3.074 25137 7007 1 11 . 1 1 12 12 GLU HA H 12 4.294 4.294 4.536 -0.242 25137 7008 1 11 . 1 1 12 12 GLU C C 12 173.120 173.120 174.596 -1.476 25137 7009 1 11 . 1 1 12 12 GLU CA C 12 56.964 56.964 56.022 0.942 25137 7010 1 11 . 1 1 12 12 GLU CB C 12 32.201 32.201 33.025 -0.824 25137 7011 1 11 . 1 1 12 12 GLU H H 12 8.532 8.532 8.445 0.087 25137 7012 1 11 . 1 1 13 13 ASP N N 13 123.077 123.077 125.814 -2.737 25137 7013 1 11 . 1 1 13 13 ASP HA H 13 4.659 4.659 4.573 0.086 25137 7014 1 11 . 1 1 13 13 ASP C C 13 176.090 176.090 176.861 -0.771 25137 7015 1 11 . 1 1 13 13 ASP CA C 13 55.140 55.140 54.658 0.482 25137 7016 1 11 . 1 1 13 13 ASP CB C 13 40.524 40.524 41.655 -1.131 25137 7017 1 11 . 1 1 13 13 ASP H H 13 8.803 8.803 8.629 0.174 25137 7018 1 11 . 1 1 14 14 GLU N N 14 126.685 126.685 120.676 6.009 25137 7019 1 11 . 1 1 14 14 GLU HA H 14 4.809 4.809 4.600 0.209 25137 7020 1 11 . 1 1 14 14 GLU CA C 14 54.574 54.574 54.187 0.387 25137 7021 1 11 . 1 1 14 14 GLU CB C 14 29.310 29.310 29.575 -0.265 25137 7022 1 11 . 1 1 14 14 GLU H H 14 10.077 10.077 8.261 1.816 25137 7023 1 11 . 1 1 15 15 PRO HA H 15 4.273 4.273 4.157 0.116 25137 7024 1 11 . 1 1 15 15 PRO C C 15 179.110 179.110 177.828 1.282 25137 7025 1 11 . 1 1 15 15 PRO CA C 15 65.472 65.472 65.755 -0.283 25137 7026 1 11 . 1 1 15 15 PRO CB C 15 32.462 32.462 31.737 0.725 25137 7027 1 11 . 1 1 16 16 LEU N N 16 118.358 118.358 118.785 -0.427 25137 7028 1 11 . 1 1 16 16 LEU HA H 16 4.131 4.131 4.089 0.042 25137 7029 1 11 . 1 1 16 16 LEU C C 16 179.260 179.260 178.549 0.711 25137 7030 1 11 . 1 1 16 16 LEU CA C 16 58.306 58.306 57.900 0.406 25137 7031 1 11 . 1 1 16 16 LEU CB C 16 41.731 41.731 41.705 0.026 25137 7032 1 11 . 1 1 16 16 LEU H H 16 8.851 8.851 7.753 1.098 25137 7033 1 11 . 1 1 17 17 ILE N N 17 117.680 117.680 119.232 -1.552 25137 7034 1 11 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.659 0.173 25137 7035 1 11 . 1 1 17 17 ILE C C 17 178.230 178.230 177.726 0.504 25137 7036 1 11 . 1 1 17 17 ILE CA C 17 63.344 63.344 64.648 -1.304 25137 7037 1 11 . 1 1 17 17 ILE CB C 17 36.564 36.564 37.066 -0.502 25137 7038 1 11 . 1 1 17 17 ILE H H 17 6.886 6.886 7.517 -0.631 25137 7039 1 11 . 1 1 18 18 ALA N N 18 122.321 122.321 122.861 -0.540 25137 7040 1 11 . 1 1 18 18 ALA HA H 18 3.720 3.720 3.920 -0.200 25137 7041 1 11 . 1 1 18 18 ALA C C 18 178.900 178.900 179.292 -0.392 25137 7042 1 11 . 1 1 18 18 ALA CA C 18 55.890 55.890 55.577 0.313 25137 7043 1 11 . 1 1 18 18 ALA CB C 18 18.165 18.165 18.132 0.033 25137 7044 1 11 . 1 1 18 18 ALA H H 18 7.988 7.988 8.584 -0.596 25137 7045 1 11 . 1 1 19 19 MET N N 19 115.807 115.807 117.670 -1.863 25137 7046 1 11 . 1 1 19 19 MET HA H 19 3.999 3.999 3.843 0.156 25137 7047 1 11 . 1 1 19 19 MET C C 19 177.180 177.180 178.026 -0.846 25137 7048 1 11 . 1 1 19 19 MET CA C 19 58.144 58.144 58.925 -0.781 25137 7049 1 11 . 1 1 19 19 MET CB C 19 32.852 32.852 32.555 0.297 25137 7050 1 11 . 1 1 19 19 MET H H 19 8.204 8.204 8.387 -0.183 25137 7051 1 11 . 1 1 20 20 ASN N N 20 117.843 117.843 119.310 -1.467 25137 7052 1 11 . 1 1 20 20 ASN HA H 20 4.545 4.545 4.608 -0.063 25137 7053 1 11 . 1 1 20 20 ASN C C 20 179.590 179.590 178.212 1.378 25137 7054 1 11 . 1 1 20 20 ASN CA C 20 56.222 56.222 56.263 -0.041 25137 7055 1 11 . 1 1 20 20 ASN CB C 20 38.005 38.005 38.402 -0.397 25137 7056 1 11 . 1 1 20 20 ASN H H 20 7.839 7.839 8.118 -0.279 25137 7057 1 11 . 1 1 21 21 LEU N N 21 121.749 121.749 121.552 0.197 25137 7058 1 11 . 1 1 21 21 LEU HA H 21 4.055 4.055 4.052 0.003 25137 7059 1 11 . 1 1 21 21 LEU C C 21 177.750 177.750 178.777 -1.027 25137 7060 1 11 . 1 1 21 21 LEU CA C 21 58.268 58.268 58.539 -0.271 25137 7061 1 11 . 1 1 21 21 LEU CB C 21 42.605 42.605 41.864 0.742 25137 7062 1 11 . 1 1 21 21 LEU H H 21 8.601 8.601 8.864 -0.263 25137 7063 1 11 . 1 1 22 22 GLN N N 22 120.991 120.991 119.458 1.533 25137 7064 1 11 . 1 1 22 22 GLN HA H 22 3.935 3.935 3.952 -0.017 25137 7065 1 11 . 1 1 22 22 GLN C C 22 178.070 178.070 178.630 -0.560 25137 7066 1 11 . 1 1 22 22 GLN CA C 22 60.463 60.463 59.418 1.045 25137 7067 1 11 . 1 1 22 22 GLN CB C 22 26.902 26.902 28.503 -1.601 25137 7068 1 11 . 1 1 22 22 GLN H H 22 8.749 8.749 8.264 0.485 25137 7069 1 11 . 1 1 23 23 TYR N N 23 117.446 117.446 118.406 -0.960 25137 7070 1 11 . 1 1 23 23 TYR HA H 23 4.517 4.517 4.538 -0.021 25137 7071 1 11 . 1 1 23 23 TYR C C 23 178.210 178.210 178.410 -0.200 25137 7072 1 11 . 1 1 23 23 TYR CA C 23 59.425 59.425 59.110 0.315 25137 7073 1 11 . 1 1 23 23 TYR CB C 23 36.975 36.975 37.764 -0.789 25137 7074 1 11 . 1 1 23 23 TYR H H 23 8.450 8.450 8.249 0.201 25137 7075 1 11 . 1 1 24 24 ALA N N 24 121.627 121.627 123.286 -1.659 25137 7076 1 11 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.040 0.060 25137 7077 1 11 . 1 1 24 24 ALA C C 24 180.910 180.910 179.266 1.644 25137 7078 1 11 . 1 1 24 24 ALA CA C 24 55.060 55.060 54.938 0.122 25137 7079 1 11 . 1 1 24 24 ALA CB C 24 18.070 18.070 18.065 0.005 25137 7080 1 11 . 1 1 24 24 ALA H H 24 7.765 7.765 8.281 -0.516 25137 7081 1 11 . 1 1 25 25 PHE N N 25 115.589 115.589 117.767 -2.178 25137 7082 1 11 . 1 1 25 25 PHE HA H 25 3.940 3.940 4.130 -0.190 25137 7083 1 11 . 1 1 25 25 PHE C C 25 179.090 179.090 178.484 0.606 25137 7084 1 11 . 1 1 25 25 PHE CA C 25 63.453 63.453 62.492 0.961 25137 7085 1 11 . 1 1 25 25 PHE CB C 25 39.484 39.484 38.965 0.519 25137 7086 1 11 . 1 1 25 25 PHE H H 25 8.348 8.348 8.761 -0.414 25137 7087 1 11 . 1 1 26 26 GLU N N 26 121.198 121.198 119.036 2.162 25137 7088 1 11 . 1 1 26 26 GLU HA H 26 4.429 4.429 4.394 0.035 25137 7089 1 11 . 1 1 26 26 GLU C C 26 181.680 181.680 178.577 3.103 25137 7090 1 11 . 1 1 26 26 GLU CA C 26 59.737 59.737 58.737 1.000 25137 7091 1 11 . 1 1 26 26 GLU CB C 26 28.925 28.925 29.493 -0.568 25137 7092 1 11 . 1 1 26 26 GLU H H 26 8.822 8.822 8.191 0.631 25137 7093 1 11 . 1 1 27 27 ASP N N 27 121.846 121.846 118.964 2.882 25137 7094 1 11 . 1 1 27 27 ASP HA H 27 4.468 4.468 4.467 0.001 25137 7095 1 11 . 1 1 27 27 ASP C C 27 177.880 177.880 177.965 -0.085 25137 7096 1 11 . 1 1 27 27 ASP CA C 27 56.996 56.996 56.564 0.432 25137 7097 1 11 . 1 1 27 27 ASP CB C 27 40.640 40.640 41.047 -0.407 25137 7098 1 11 . 1 1 27 27 ASP H H 27 8.424 8.424 7.855 0.569 25137 7099 1 11 . 1 1 28 28 GLU N N 28 115.759 115.759 116.873 -1.114 25137 7100 1 11 . 1 1 28 28 GLU HA H 28 4.331 4.331 4.436 -0.105 25137 7101 1 11 . 1 1 28 28 GLU C C 28 176.460 176.460 176.741 -0.281 25137 7102 1 11 . 1 1 28 28 GLU CA C 28 55.395 55.395 55.783 -0.388 25137 7103 1 11 . 1 1 28 28 GLU CB C 28 30.264 30.264 29.804 0.460 25137 7104 1 11 . 1 1 28 28 GLU H H 28 7.170 7.170 7.609 -0.439 25137 7105 1 11 . 1 1 29 29 GLY N N 29 106.899 106.899 107.760 -0.861 25137 7106 1 11 . 1 1 29 29 GLY C C 29 173.160 173.160 173.020 0.140 25137 7107 1 11 . 1 1 29 29 GLY CA C 29 45.589 45.589 45.420 0.169 25137 7108 1 11 . 1 1 29 29 GLY H H 29 7.889 7.889 7.806 0.083 25137 7109 1 11 . 1 1 30 30 ALA N N 30 121.007 121.007 121.803 -0.796 25137 7110 1 11 . 1 1 30 30 ALA HA H 30 4.680 4.680 5.165 -0.485 25137 7111 1 11 . 1 1 30 30 ALA C C 30 175.880 175.880 175.197 0.683 25137 7112 1 11 . 1 1 30 30 ALA CA C 30 50.666 50.666 50.794 -0.128 25137 7113 1 11 . 1 1 30 30 ALA CB C 30 21.882 21.882 22.259 -0.377 25137 7114 1 11 . 1 1 30 30 ALA H H 30 7.743 7.743 7.606 0.137 25137 7115 1 11 . 1 1 31 31 GLU N N 31 120.065 120.065 119.298 0.767 25137 7116 1 11 . 1 1 31 31 GLU HA H 31 4.664 4.664 4.815 -0.151 25137 7117 1 11 . 1 1 31 31 GLU C C 31 175.430 175.430 174.603 0.827 25137 7118 1 11 . 1 1 31 31 GLU CA C 31 55.136 55.136 54.476 0.660 25137 7119 1 11 . 1 1 31 31 GLU CB C 31 32.126 32.126 32.858 -0.731 25137 7120 1 11 . 1 1 31 31 GLU H H 31 8.595 8.595 8.606 -0.011 25137 7121 1 11 . 1 1 32 32 VAL N N 32 123.414 123.414 124.880 -1.466 25137 7122 1 11 . 1 1 32 32 VAL HA H 32 4.787 4.787 4.816 -0.029 25137 7123 1 11 . 1 1 32 32 VAL C C 32 175.290 175.290 175.676 -0.386 25137 7124 1 11 . 1 1 32 32 VAL CA C 32 60.802 60.802 59.900 0.902 25137 7125 1 11 . 1 1 32 32 VAL CB C 32 34.991 34.991 33.546 1.445 25137 7126 1 11 . 1 1 32 32 VAL H H 32 8.872 8.872 8.460 0.412 25137 7127 1 11 . 1 1 33 33 VAL N N 33 128.158 128.158 127.371 0.787 25137 7128 1 11 . 1 1 33 33 VAL HA H 33 4.226 4.226 4.377 -0.151 25137 7129 1 11 . 1 1 33 33 VAL C C 33 173.830 173.830 174.503 -0.673 25137 7130 1 11 . 1 1 33 33 VAL CA C 33 60.990 60.990 60.823 0.167 25137 7131 1 11 . 1 1 33 33 VAL CB C 33 33.736 33.736 34.003 -0.267 25137 7132 1 11 . 1 1 33 33 VAL H H 33 9.042 9.042 9.139 -0.097 25137 7133 1 11 . 1 1 34 34 VAL N N 34 126.239 126.239 126.483 -0.244 25137 7134 1 11 . 1 1 34 34 VAL HA H 34 4.751 4.751 4.509 0.242 25137 7135 1 11 . 1 1 34 34 VAL C C 34 175.100 175.100 175.092 0.008 25137 7136 1 11 . 1 1 34 34 VAL CA C 34 61.389 61.389 61.409 -0.020 25137 7137 1 11 . 1 1 34 34 VAL CB C 34 33.193 33.193 32.995 0.199 25137 7138 1 11 . 1 1 34 34 VAL H H 34 8.522 8.522 8.484 0.038 25137 7139 1 11 . 1 1 35 35 ALA N N 35 129.955 129.955 129.224 0.731 25137 7140 1 11 . 1 1 35 35 ALA HA H 35 4.682 4.682 5.012 -0.330 25137 7141 1 11 . 1 1 35 35 ALA C C 35 174.380 174.380 175.851 -1.471 25137 7142 1 11 . 1 1 35 35 ALA CA C 35 50.154 50.154 50.663 -0.509 25137 7143 1 11 . 1 1 35 35 ALA CB C 35 22.922 22.922 22.545 0.377 25137 7144 1 11 . 1 1 35 35 ALA H H 35 9.388 9.388 8.983 0.405 25137 7145 1 11 . 1 1 36 36 ALA N N 36 121.011 121.011 123.188 -2.177 25137 7146 1 11 . 1 1 36 36 ALA HA H 36 4.632 4.632 4.637 -0.005 25137 7147 1 11 . 1 1 36 36 ALA C C 36 176.490 176.490 176.599 -0.109 25137 7148 1 11 . 1 1 36 36 ALA CA C 36 51.778 51.778 52.511 -0.733 25137 7149 1 11 . 1 1 36 36 ALA CB C 36 21.506 21.506 19.456 2.050 25137 7150 1 11 . 1 1 36 36 ALA H H 36 8.539 8.539 8.641 -0.102 25137 7151 1 11 . 1 1 37 37 THR N N 37 102.880 102.880 107.111 -4.231 25137 7152 1 11 . 1 1 37 37 THR HA H 37 4.620 4.620 4.508 0.112 25137 7153 1 11 . 1 1 37 37 THR C C 37 174.710 174.710 175.214 -0.504 25137 7154 1 11 . 1 1 37 37 THR CA C 37 57.520 57.520 59.999 -2.479 25137 7155 1 11 . 1 1 37 37 THR CB C 37 72.972 72.972 72.349 0.623 25137 7156 1 11 . 1 1 37 37 THR H H 37 7.019 7.019 7.386 -0.367 25137 7157 1 11 . 1 1 38 38 CYS N N 38 120.553 120.553 120.660 -0.107 25137 7158 1 11 . 1 1 38 38 CYS HA H 38 3.677 3.677 4.130 -0.453 25137 7159 1 11 . 1 1 38 38 CYS C C 38 176.020 176.020 176.914 -0.894 25137 7160 1 11 . 1 1 38 38 CYS CA C 38 63.179 63.179 63.256 -0.077 25137 7161 1 11 . 1 1 38 38 CYS CB C 38 26.317 26.317 27.650 -1.333 25137 7162 1 11 . 1 1 38 38 CYS H H 38 9.398 9.398 8.855 0.543 25137 7163 1 11 . 1 1 39 39 GLU N N 39 118.521 118.521 120.239 -1.718 25137 7164 1 11 . 1 1 39 39 GLU HA H 39 3.829 3.829 3.973 -0.144 25137 7165 1 11 . 1 1 39 39 GLU C C 39 179.470 179.470 179.188 0.282 25137 7166 1 11 . 1 1 39 39 GLU CA C 39 60.594 60.594 59.690 0.904 25137 7167 1 11 . 1 1 39 39 GLU CB C 39 28.963 28.963 29.212 -0.249 25137 7168 1 11 . 1 1 39 39 GLU H H 39 8.960 8.960 8.660 0.300 25137 7169 1 11 . 1 1 40 40 GLN N N 40 118.602 118.602 118.975 -0.373 25137 7170 1 11 . 1 1 40 40 GLN HA H 40 4.021 4.021 4.020 0.001 25137 7171 1 11 . 1 1 40 40 GLN C C 40 176.211 176.211 178.310 -2.099 25137 7172 1 11 . 1 1 40 40 GLN CA C 40 58.306 58.306 58.642 -0.336 25137 7173 1 11 . 1 1 40 40 GLN CB C 40 28.925 28.925 28.550 0.375 25137 7174 1 11 . 1 1 40 40 GLN H H 40 7.855 7.855 8.031 -0.176 25137 7175 1 11 . 1 1 41 41 ALA N N 41 122.395 122.395 123.410 -1.015 25137 7176 1 11 . 1 1 41 41 ALA HA H 41 3.735 3.735 3.966 -0.231 25137 7177 1 11 . 1 1 41 41 ALA C C 41 178.440 178.440 179.461 -1.021 25137 7178 1 11 . 1 1 41 41 ALA CA C 41 55.178 55.178 55.277 -0.099 25137 7179 1 11 . 1 1 41 41 ALA CB C 41 19.872 19.872 18.384 1.488 25137 7180 1 11 . 1 1 41 41 ALA H H 41 8.009 8.009 7.585 0.424 25137 7181 1 11 . 1 1 42 42 LEU N N 42 116.832 116.832 118.386 -1.554 25137 7182 1 11 . 1 1 42 42 LEU HA H 42 3.875 3.875 3.818 0.057 25137 7183 1 11 . 1 1 42 42 LEU C C 42 180.080 180.080 179.123 0.957 25137 7184 1 11 . 1 1 42 42 LEU CA C 42 58.011 58.011 57.686 0.325 25137 7185 1 11 . 1 1 42 42 LEU CB C 42 40.961 40.961 41.247 -0.286 25137 7186 1 11 . 1 1 42 42 LEU H H 42 8.497 8.497 8.473 0.024 25137 7187 1 11 . 1 1 43 43 LYS N N 43 121.087 121.087 120.372 0.715 25137 7188 1 11 . 1 1 43 43 LYS HA H 43 4.065 4.065 3.902 0.163 25137 7189 1 11 . 1 1 43 43 LYS C C 43 178.500 178.500 178.898 -0.398 25137 7190 1 11 . 1 1 43 43 LYS CA C 43 59.256 59.256 59.992 -0.736 25137 7191 1 11 . 1 1 43 43 LYS CB C 43 32.295 32.295 32.350 -0.055 25137 7192 1 11 . 1 1 43 43 LYS H H 43 7.593 7.593 8.188 -0.595 25137 7193 1 11 . 1 1 44 44 SER N N 44 115.150 115.150 115.513 -0.363 25137 7194 1 11 . 1 1 44 44 SER HA H 44 4.130 4.130 4.223 -0.093 25137 7195 1 11 . 1 1 44 44 SER C C 44 176.430 176.430 176.900 -0.470 25137 7196 1 11 . 1 1 44 44 SER CA C 44 62.900 62.900 62.097 0.803 25137 7197 1 11 . 1 1 44 44 SER CB C 44 62.900 62.900 63.019 -0.119 25137 7198 1 11 . 1 1 44 44 SER H H 44 8.100 8.100 7.864 0.236 25137 7199 1 11 . 1 1 45 45 LEU N N 45 120.050 120.050 121.561 -1.511 25137 7200 1 11 . 1 1 45 45 LEU HA H 45 4.121 4.121 4.064 0.057 25137 7201 1 11 . 1 1 45 45 LEU C C 45 177.260 177.260 177.566 -0.306 25137 7202 1 11 . 1 1 45 45 LEU CA C 45 56.770 56.770 57.517 -0.747 25137 7203 1 11 . 1 1 45 45 LEU CB C 45 42.389 42.389 42.028 0.361 25137 7204 1 11 . 1 1 45 45 LEU H H 45 8.050 8.050 8.155 -0.105 25137 7205 1 11 . 1 1 46 46 ALA N N 46 119.940 119.940 119.695 0.245 25137 7206 1 11 . 1 1 46 46 ALA HA H 46 4.093 4.093 4.230 -0.137 25137 7207 1 11 . 1 1 46 46 ALA C C 46 179.310 179.310 179.057 0.253 25137 7208 1 11 . 1 1 46 46 ALA CA C 46 54.126 54.126 53.830 0.296 25137 7209 1 11 . 1 1 46 46 ALA CB C 46 18.412 18.412 19.025 -0.613 25137 7210 1 11 . 1 1 46 46 ALA H H 46 7.360 7.360 7.554 -0.194 25137 7211 1 11 . 1 1 47 47 ASP N N 47 115.277 115.277 118.555 -3.278 25137 7212 1 11 . 1 1 47 47 ASP HA H 47 4.610 4.610 4.626 -0.016 25137 7213 1 11 . 1 1 47 47 ASP C C 47 175.930 175.930 176.404 -0.474 25137 7214 1 11 . 1 1 47 47 ASP CA C 47 55.087 55.087 55.383 -0.296 25137 7215 1 11 . 1 1 47 47 ASP CB C 47 42.364 42.364 41.974 0.390 25137 7216 1 11 . 1 1 47 47 ASP H H 47 7.583 7.583 8.392 -0.809 25137 7217 1 11 . 1 1 48 48 ASN N N 48 116.977 116.977 116.170 0.807 25137 7218 1 11 . 1 1 48 48 ASN HA H 48 5.219 5.219 5.130 0.089 25137 7219 1 11 . 1 1 48 48 ASN CA C 48 51.096 51.096 50.988 0.108 25137 7220 1 11 . 1 1 48 48 ASN CB C 48 42.381 42.381 41.016 1.365 25137 7221 1 11 . 1 1 48 48 ASN H H 48 7.727 7.727 7.915 -0.188 25137 7222 1 11 . 1 1 49 49 PRO HA H 49 4.551 4.551 4.620 -0.069 25137 7223 1 11 . 1 1 49 49 PRO C C 49 174.890 174.890 175.506 -0.616 25137 7224 1 11 . 1 1 49 49 PRO CA C 49 62.093 62.093 62.272 -0.179 25137 7225 1 11 . 1 1 49 49 PRO CB C 49 29.940 29.940 31.209 -1.269 25137 7226 1 11 . 1 1 50 50 ILE N N 50 122.280 122.280 124.539 -2.259 25137 7227 1 11 . 1 1 50 50 ILE HA H 50 3.908 3.908 3.937 -0.029 25137 7228 1 11 . 1 1 50 50 ILE C C 50 174.840 174.840 175.940 -1.100 25137 7229 1 11 . 1 1 50 50 ILE CA C 50 58.580 58.580 60.679 -2.099 25137 7230 1 11 . 1 1 50 50 ILE CB C 50 38.850 38.850 37.013 1.837 25137 7231 1 11 . 1 1 50 50 ILE H H 50 7.420 7.420 7.936 -0.516 25137 7232 1 11 . 1 1 51 51 ASP N N 51 123.770 123.770 126.962 -3.192 25137 7233 1 11 . 1 1 51 51 ASP HA H 51 4.749 4.749 4.740 0.009 25137 7234 1 11 . 1 1 51 51 ASP C C 51 175.114 175.114 175.628 -0.514 25137 7235 1 11 . 1 1 51 51 ASP CA C 51 56.930 56.930 56.468 0.462 25137 7236 1 11 . 1 1 51 51 ASP CB C 51 44.360 44.360 42.709 1.651 25137 7237 1 11 . 1 1 51 51 ASP H H 51 9.310 9.310 8.840 0.470 25137 7238 1 11 . 1 1 52 52 VAL N N 52 114.454 114.454 115.998 -1.544 25137 7239 1 11 . 1 1 52 52 VAL HA H 52 4.874 4.874 4.944 -0.070 25137 7240 1 11 . 1 1 52 52 VAL C C 52 171.129 171.129 173.296 -2.167 25137 7241 1 11 . 1 1 52 52 VAL CA C 52 59.850 59.850 59.996 -0.146 25137 7242 1 11 . 1 1 52 52 VAL CB C 52 32.980 32.980 34.956 -1.976 25137 7243 1 11 . 1 1 52 52 VAL H H 52 7.580 7.580 7.550 0.030 25137 7244 1 11 . 1 1 53 53 ALA N N 53 124.620 124.620 126.078 -1.458 25137 7245 1 11 . 1 1 53 53 ALA HA H 53 5.665 5.665 5.275 0.390 25137 7246 1 11 . 1 1 53 53 ALA C C 53 175.100 175.100 175.169 -0.069 25137 7247 1 11 . 1 1 53 53 ALA CA C 53 49.810 49.810 50.360 -0.550 25137 7248 1 11 . 1 1 53 53 ALA CB C 53 25.750 25.750 22.643 3.107 25137 7249 1 11 . 1 1 53 53 ALA H H 53 7.780 7.780 8.459 -0.679 25137 7250 1 11 . 1 1 54 54 VAL N N 54 118.950 118.950 115.812 3.138 25137 7251 1 11 . 1 1 54 54 VAL HA H 54 4.647 4.647 5.185 -0.538 25137 7252 1 11 . 1 1 54 54 VAL C C 54 174.020 174.020 174.311 -0.291 25137 7253 1 11 . 1 1 54 54 VAL CA C 54 61.580 61.580 60.794 0.786 25137 7254 1 11 . 1 1 54 54 VAL CB C 54 34.320 34.320 33.953 0.367 25137 7255 1 11 . 1 1 54 54 VAL H H 54 8.730 8.730 8.897 -0.167 25137 7256 1 11 . 1 1 55 55 LEU N N 55 124.820 124.820 128.187 -3.367 25137 7257 1 11 . 1 1 55 55 LEU HA H 55 4.953 4.953 4.697 0.256 25137 7258 1 11 . 1 1 55 55 LEU C C 55 176.110 176.110 175.459 0.651 25137 7259 1 11 . 1 1 55 55 LEU CA C 55 53.540 53.540 53.847 -0.307 25137 7260 1 11 . 1 1 55 55 LEU CB C 55 42.690 42.690 43.851 -1.161 25137 7261 1 11 . 1 1 55 55 LEU H H 55 9.240 9.240 9.291 -0.051 25137 7262 1 11 . 1 1 56 56 ASP N N 56 124.220 124.220 124.971 -0.751 25137 7263 1 11 . 1 1 56 56 ASP HA H 56 5.629 5.629 4.769 0.860 25137 7264 1 11 . 1 1 56 56 ASP C C 56 174.460 174.460 177.252 -2.792 25137 7265 1 11 . 1 1 56 56 ASP CA C 56 52.930 52.930 52.870 0.060 25137 7266 1 11 . 1 1 56 56 ASP CB C 56 43.400 43.400 41.431 1.968 25137 7267 1 11 . 1 1 56 56 ASP H H 56 8.360 8.360 8.735 -0.375 25137 7268 1 11 . 1 1 57 57 VAL N N 57 119.581 119.581 125.404 -5.823 25137 7269 1 11 . 1 1 57 57 VAL HA H 57 4.239 4.239 3.656 0.583 25137 7270 1 11 . 1 1 57 57 VAL C C 57 175.480 175.480 175.977 -0.497 25137 7271 1 11 . 1 1 57 57 VAL CA C 57 64.564 64.564 64.048 0.516 25137 7272 1 11 . 1 1 57 57 VAL CB C 57 32.520 32.520 31.636 0.884 25137 7273 1 11 . 1 1 57 57 VAL H H 57 7.022 7.022 8.227 -1.205 25137 7274 1 11 . 1 1 58 58 ASN N N 58 114.490 114.490 116.253 -1.763 25137 7275 1 11 . 1 1 58 58 ASN HA H 58 4.693 4.693 4.796 -0.103 25137 7276 1 11 . 1 1 58 58 ASN C C 58 173.400 173.400 175.109 -1.709 25137 7277 1 11 . 1 1 58 58 ASN CA C 58 53.570 53.570 51.904 1.666 25137 7278 1 11 . 1 1 58 58 ASN CB C 58 38.820 38.820 39.146 -0.326 25137 7279 1 11 . 1 1 58 58 ASN H H 58 8.600 8.600 8.313 0.287 25137 7280 1 11 . 1 1 59 59 LEU N N 59 130.670 130.670 121.386 9.284 25137 7281 1 11 . 1 1 59 59 LEU HA H 59 4.647 4.647 4.207 0.440 25137 7282 1 11 . 1 1 59 59 LEU C C 59 175.340 175.340 177.522 -2.182 25137 7283 1 11 . 1 1 59 59 LEU CA C 59 53.550 53.550 56.052 -2.502 25137 7284 1 11 . 1 1 59 59 LEU CB C 59 41.430 41.430 42.374 -0.944 25137 7285 1 11 . 1 1 59 59 LEU H H 59 8.260 8.260 8.176 0.084 25137 7286 1 11 . 1 1 60 60 GLY N N 60 109.030 109.030 103.568 5.462 25137 7287 1 11 . 1 1 60 60 GLY CA C 60 44.610 44.610 44.983 -0.373 25137 7288 1 11 . 1 1 60 60 GLY H H 60 7.860 7.860 7.785 0.075 25137 7289 1 11 . 1 1 61 61 PRO HA H 61 4.385 4.385 4.301 0.084 25137 7290 1 11 . 1 1 61 61 PRO C C 61 177.960 177.960 177.375 0.585 25137 7291 1 11 . 1 1 61 61 PRO CA C 61 64.888 64.888 64.832 0.056 25137 7292 1 11 . 1 1 61 61 PRO CB C 61 32.070 32.070 32.222 -0.152 25137 7293 1 11 . 1 1 62 62 LYS N N 62 115.984 115.984 116.632 -0.648 25137 7294 1 11 . 1 1 62 62 LYS HA H 62 4.524 4.524 4.510 0.014 25137 7295 1 11 . 1 1 62 62 LYS C C 62 175.810 175.810 176.304 -0.494 25137 7296 1 11 . 1 1 62 62 LYS CA C 62 55.444 55.444 56.193 -0.749 25137 7297 1 11 . 1 1 62 62 LYS CB C 62 33.216 33.216 33.655 -0.439 25137 7298 1 11 . 1 1 62 62 LYS H H 62 8.625 8.625 8.039 0.586 25137 7299 1 11 . 1 1 63 63 SER N N 63 113.432 113.432 116.114 -2.682 25137 7300 1 11 . 1 1 63 63 SER HA H 63 4.609 4.609 4.229 0.380 25137 7301 1 11 . 1 1 63 63 SER C C 63 172.560 172.560 173.087 -0.527 25137 7302 1 11 . 1 1 63 63 SER CA C 63 57.715 57.715 59.442 -1.727 25137 7303 1 11 . 1 1 63 63 SER CB C 63 64.866 64.866 63.449 1.417 25137 7304 1 11 . 1 1 63 63 SER H H 63 7.389 7.389 8.033 -0.644 25137 7305 1 11 . 1 1 64 64 HIS N N 64 122.580 122.580 118.561 4.019 25137 7306 1 11 . 1 1 64 64 HIS HA H 64 5.833 5.833 4.916 0.917 25137 7307 1 11 . 1 1 64 64 HIS C C 64 176.210 176.210 174.730 1.480 25137 7308 1 11 . 1 1 64 64 HIS CA C 64 54.006 54.006 54.160 -0.154 25137 7309 1 11 . 1 1 64 64 HIS CB C 64 34.092 34.092 33.090 1.002 25137 7310 1 11 . 1 1 64 64 HIS H H 64 7.762 7.762 7.712 0.050 25137 7311 1 11 . 1 1 65 65 CYS N N 65 111.478 111.478 121.775 -10.297 25137 7312 1 11 . 1 1 65 65 CYS HA H 65 4.342 4.342 4.567 -0.225 25137 7313 1 11 . 1 1 65 65 CYS C C 65 175.881 175.881 175.123 0.758 25137 7314 1 11 . 1 1 65 65 CYS CA C 65 57.980 57.980 57.888 0.092 25137 7315 1 11 . 1 1 65 65 CYS CB C 65 29.790 29.790 26.075 3.715 25137 7316 1 11 . 1 1 65 65 CYS H H 65 7.946 7.946 8.250 -0.304 25137 7317 1 11 . 1 1 66 66 GLY N N 66 120.340 120.340 113.558 6.782 25137 7318 1 11 . 1 1 66 66 GLY CA C 66 48.880 48.880 46.313 2.567 25137 7319 1 11 . 1 1 66 66 GLY H H 66 11.290 11.290 8.304 2.986 25137 7320 1 11 . 1 1 67 67 PRO HA H 67 4.386 4.386 4.259 0.127 25137 7321 1 11 . 1 1 67 67 PRO C C 67 179.860 179.860 178.145 1.715 25137 7322 1 11 . 1 1 67 67 PRO CA C 67 65.388 65.388 65.784 -0.396 25137 7323 1 11 . 1 1 67 67 PRO CB C 67 32.970 32.970 31.498 1.472 25137 7324 1 11 . 1 1 68 68 VAL N N 68 116.564 116.564 116.944 -0.380 25137 7325 1 11 . 1 1 68 68 VAL HA H 68 3.494 3.494 3.599 -0.105 25137 7326 1 11 . 1 1 68 68 VAL C C 68 176.350 176.350 177.400 -1.050 25137 7327 1 11 . 1 1 68 68 VAL CA C 68 64.839 64.839 66.105 -1.266 25137 7328 1 11 . 1 1 68 68 VAL CB C 68 31.396 31.396 31.153 0.243 25137 7329 1 11 . 1 1 68 68 VAL H H 68 7.471 7.471 7.879 -0.408 25137 7330 1 11 . 1 1 69 69 ALA N N 69 122.825 122.825 123.424 -0.599 25137 7331 1 11 . 1 1 69 69 ALA HA H 69 3.085 3.085 3.355 -0.270 25137 7332 1 11 . 1 1 69 69 ALA C C 69 179.280 179.280 179.274 0.006 25137 7333 1 11 . 1 1 69 69 ALA CA C 69 55.209 55.209 55.329 -0.120 25137 7334 1 11 . 1 1 69 69 ALA CB C 69 18.141 18.141 18.014 0.127 25137 7335 1 11 . 1 1 69 69 ALA H H 69 7.880 7.880 7.515 0.365 25137 7336 1 11 . 1 1 70 70 ASP N N 70 116.269 116.269 118.781 -2.512 25137 7337 1 11 . 1 1 70 70 ASP HA H 70 4.314 4.314 4.305 0.009 25137 7338 1 11 . 1 1 70 70 ASP C C 70 178.300 178.300 178.495 -0.195 25137 7339 1 11 . 1 1 70 70 ASP CA C 70 57.530 57.530 58.044 -0.514 25137 7340 1 11 . 1 1 70 70 ASP CB C 70 40.582 40.582 40.673 -0.091 25137 7341 1 11 . 1 1 70 70 ASP H H 70 8.316 8.316 8.088 0.228 25137 7342 1 11 . 1 1 71 71 ALA N N 71 122.771 122.771 123.121 -0.350 25137 7343 1 11 . 1 1 71 71 ALA HA H 71 4.045 4.045 4.030 0.015 25137 7344 1 11 . 1 1 71 71 ALA C C 71 180.700 180.700 179.833 0.867 25137 7345 1 11 . 1 1 71 71 ALA CA C 71 55.062 55.062 55.073 -0.011 25137 7346 1 11 . 1 1 71 71 ALA CB C 71 18.675 18.675 18.282 0.393 25137 7347 1 11 . 1 1 71 71 ALA H H 71 7.156 7.156 7.644 -0.488 25137 7348 1 11 . 1 1 72 72 LEU N N 72 119.021 119.021 118.292 0.729 25137 7349 1 11 . 1 1 72 72 LEU HA H 72 3.824 3.824 3.841 -0.017 25137 7350 1 11 . 1 1 72 72 LEU C C 72 179.560 179.560 179.532 0.028 25137 7351 1 11 . 1 1 72 72 LEU CA C 72 58.351 58.351 57.674 0.677 25137 7352 1 11 . 1 1 72 72 LEU CB C 72 40.437 40.437 41.241 -0.804 25137 7353 1 11 . 1 1 72 72 LEU H H 72 8.250 8.250 8.377 -0.127 25137 7354 1 11 . 1 1 73 73 LYS N N 73 120.087 120.087 118.831 1.256 25137 7355 1 11 . 1 1 73 73 LYS HA H 73 4.431 4.431 4.175 0.256 25137 7356 1 11 . 1 1 73 73 LYS C C 73 181.310 181.310 179.806 1.504 25137 7357 1 11 . 1 1 73 73 LYS CA C 73 59.307 59.307 58.731 0.576 25137 7358 1 11 . 1 1 73 73 LYS CB C 73 32.404 32.404 31.723 0.681 25137 7359 1 11 . 1 1 73 73 LYS H H 73 8.383 8.383 8.244 0.139 25137 7360 1 11 . 1 1 74 74 GLN N N 74 118.982 118.982 118.074 0.908 25137 7361 1 11 . 1 1 74 74 GLN HA H 74 4.074 4.074 4.180 -0.106 25137 7362 1 11 . 1 1 74 74 GLN C C 74 177.620 177.620 178.120 -0.500 25137 7363 1 11 . 1 1 74 74 GLN CA C 74 58.834 58.834 57.872 0.962 25137 7364 1 11 . 1 1 74 74 GLN CB C 74 28.505 28.505 28.689 -0.184 25137 7365 1 11 . 1 1 74 74 GLN H H 74 8.015 8.015 8.091 -0.076 25137 7366 1 11 . 1 1 75 75 ARG N N 75 116.770 116.770 116.913 -0.143 25137 7367 1 11 . 1 1 75 75 ARG HA H 75 4.272 4.272 4.388 -0.116 25137 7368 1 11 . 1 1 75 75 ARG C C 75 174.310 174.310 175.699 -1.389 25137 7369 1 11 . 1 1 75 75 ARG CA C 75 55.950 55.950 55.744 0.206 25137 7370 1 11 . 1 1 75 75 ARG CB C 75 31.780 31.780 30.636 1.144 25137 7371 1 11 . 1 1 75 75 ARG H H 75 7.240 7.240 7.716 -0.476 25137 7372 1 11 . 1 1 76 76 ALA N N 76 122.020 122.020 120.069 1.951 25137 7373 1 11 . 1 1 76 76 ALA HA H 76 4.050 4.050 4.074 -0.024 25137 7374 1 11 . 1 1 76 76 ALA C C 76 176.240 176.240 176.910 -0.670 25137 7375 1 11 . 1 1 76 76 ALA CA C 76 53.170 53.170 52.888 0.282 25137 7376 1 11 . 1 1 76 76 ALA CB C 76 16.650 16.650 16.887 -0.237 25137 7377 1 11 . 1 1 76 76 ALA H H 76 8.065 8.065 7.603 0.462 25137 7378 1 11 . 1 1 77 77 ILE N N 77 122.300 122.300 120.013 2.287 25137 7379 1 11 . 1 1 77 77 ILE HA H 77 4.502 4.502 4.322 0.180 25137 7380 1 11 . 1 1 77 77 ILE CA C 77 58.610 58.610 58.778 -0.168 25137 7381 1 11 . 1 1 77 77 ILE CB C 77 40.000 40.000 38.924 1.076 25137 7382 1 11 . 1 1 77 77 ILE H H 77 8.080 8.080 8.282 -0.202 25137 7383 1 11 . 1 1 78 78 PRO HA H 78 4.454 4.454 4.580 -0.126 25137 7384 1 11 . 1 1 78 78 PRO C C 78 174.680 174.680 175.476 -0.796 25137 7385 1 11 . 1 1 78 78 PRO CA C 78 62.622 62.622 62.707 -0.085 25137 7386 1 11 . 1 1 78 78 PRO CB C 78 32.772 32.772 32.133 0.639 25137 7387 1 11 . 1 1 79 79 PHE N N 79 109.800 109.800 116.530 -6.730 25137 7388 1 11 . 1 1 79 79 PHE HA H 79 5.656 5.656 5.487 0.169 25137 7389 1 11 . 1 1 79 79 PHE C C 79 172.780 172.780 173.502 -0.722 25137 7390 1 11 . 1 1 79 79 PHE CA C 79 55.612 55.612 55.712 -0.101 25137 7391 1 11 . 1 1 79 79 PHE CB C 79 42.181 42.181 42.415 -0.234 25137 7392 1 11 . 1 1 79 79 PHE H H 79 7.463 7.463 7.902 -0.439 25137 7393 1 11 . 1 1 80 80 ILE N N 80 114.746 114.746 119.976 -5.230 25137 7394 1 11 . 1 1 80 80 ILE HA H 80 4.545 4.545 4.619 -0.074 25137 7395 1 11 . 1 1 80 80 ILE C C 80 174.750 174.750 175.170 -0.420 25137 7396 1 11 . 1 1 80 80 ILE CA C 80 58.914 58.914 59.725 -0.811 25137 7397 1 11 . 1 1 80 80 ILE CB C 80 43.079 43.079 42.346 0.732 25137 7398 1 11 . 1 1 80 80 ILE H H 80 8.024 8.024 8.501 -0.477 25137 7399 1 11 . 1 1 81 81 LEU N N 81 124.450 124.450 126.661 -2.211 25137 7400 1 11 . 1 1 81 81 LEU HA H 81 5.470 5.470 5.077 0.393 25137 7401 1 11 . 1 1 81 81 LEU C C 81 175.620 175.620 176.127 -0.507 25137 7402 1 11 . 1 1 81 81 LEU CA C 81 53.345 53.345 53.433 -0.088 25137 7403 1 11 . 1 1 81 81 LEU CB C 81 43.304 43.304 40.048 3.256 25137 7404 1 11 . 1 1 81 81 LEU H H 81 8.935 8.935 9.072 -0.137 25137 7405 1 11 . 1 1 82 82 HIS N N 82 126.167 126.167 125.709 0.458 25137 7406 1 11 . 1 1 82 82 HIS HA H 82 5.880 5.880 5.217 0.663 25137 7407 1 11 . 1 1 82 82 HIS C C 82 172.730 172.730 174.308 -1.578 25137 7408 1 11 . 1 1 82 82 HIS CA C 82 52.947 52.947 53.922 -0.975 25137 7409 1 11 . 1 1 82 82 HIS CB C 82 31.171 31.171 30.406 0.765 25137 7410 1 11 . 1 1 82 82 HIS H H 82 8.828 8.828 8.658 0.170 25137 7411 1 11 . 1 1 83 83 THR N N 83 114.001 114.001 119.104 -5.103 25137 7412 1 11 . 1 1 83 83 THR HA H 83 5.305 5.305 4.800 0.505 25137 7413 1 11 . 1 1 83 83 THR C C 83 172.800 172.800 174.182 -1.382 25137 7414 1 11 . 1 1 83 83 THR CA C 83 58.807 58.807 59.576 -0.769 25137 7415 1 11 . 1 1 83 83 THR CB C 83 69.366 69.366 71.060 -1.694 25137 7416 1 11 . 1 1 83 83 THR H H 83 7.252 7.252 7.706 -0.454 25137 7417 1 11 . 1 1 84 84 GLY N N 84 115.666 115.666 110.518 5.148 25137 7418 1 11 . 1 1 84 84 GLY C C 84 173.764 173.764 173.423 0.341 25137 7419 1 11 . 1 1 84 84 GLY CA C 84 45.284 45.284 44.450 0.834 25137 7420 1 11 . 1 1 84 84 GLY H H 84 8.483 8.483 8.879 -0.396 25137 7421 1 11 . 1 1 85 85 ASP N N 85 123.490 123.490 119.983 3.507 25137 7422 1 11 . 1 1 85 85 ASP HA H 85 4.982 4.982 4.833 0.149 25137 7423 1 11 . 1 1 85 85 ASP C C 85 175.829 175.829 174.906 0.923 25137 7424 1 11 . 1 1 85 85 ASP CA C 85 53.420 53.420 53.990 -0.570 25137 7425 1 11 . 1 1 85 85 ASP CB C 85 41.560 41.560 42.224 -0.664 25137 7426 1 11 . 1 1 85 85 ASP H H 85 8.510 8.510 7.727 0.783 25137 7427 1 11 . 1 1 86 86 LEU N N 86 122.010 122.010 125.831 -3.821 25137 7428 1 11 . 1 1 86 86 LEU HA H 86 3.997 3.997 4.524 -0.527 25137 7429 1 11 . 1 1 86 86 LEU C C 86 178.242 178.242 176.885 1.357 25137 7430 1 11 . 1 1 86 86 LEU CA C 86 57.410 57.410 55.192 2.218 25137 7431 1 11 . 1 1 86 86 LEU CB C 86 42.000 42.000 42.934 -0.934 25137 7432 1 11 . 1 1 86 86 LEU H H 86 8.210 8.210 8.311 -0.101 25137 7433 1 11 . 1 1 87 87 ASP N N 87 117.260 117.260 120.889 -3.629 25137 7434 1 11 . 1 1 87 87 ASP HA H 87 4.535 4.535 4.522 0.013 25137 7435 1 11 . 1 1 87 87 ASP C C 87 178.351 178.351 178.894 -0.543 25137 7436 1 11 . 1 1 87 87 ASP CA C 87 56.010 56.010 56.856 -0.846 25137 7437 1 11 . 1 1 87 87 ASP CB C 87 41.400 41.400 41.095 0.305 25137 7438 1 11 . 1 1 87 87 ASP H H 87 8.290 8.290 8.305 -0.015 25137 7439 1 11 . 1 1 88 88 ARG N N 88 120.750 120.750 118.605 2.145 25137 7440 1 11 . 1 1 88 88 ARG HA H 88 4.015 4.015 4.211 -0.196 25137 7441 1 11 . 1 1 88 88 ARG C C 88 177.300 177.300 177.344 -0.044 25137 7442 1 11 . 1 1 88 88 ARG CA C 88 58.340 58.340 56.642 1.698 25137 7443 1 11 . 1 1 88 88 ARG CB C 88 30.460 30.460 30.045 0.415 25137 7444 1 11 . 1 1 88 88 ARG H H 88 8.040 8.040 8.549 -0.509 25137 7445 1 11 . 1 1 89 89 HIS N N 89 115.580 115.580 115.302 0.278 25137 7446 1 11 . 1 1 89 89 HIS HA H 89 5.026 5.026 4.781 0.245 25137 7447 1 11 . 1 1 89 89 HIS C C 89 175.670 175.670 175.240 0.430 25137 7448 1 11 . 1 1 89 89 HIS CA C 89 55.300 55.300 55.499 -0.199 25137 7449 1 11 . 1 1 89 89 HIS CB C 89 29.890 29.890 30.405 -0.515 25137 7450 1 11 . 1 1 89 89 HIS H H 89 7.900 7.900 7.855 0.045 25137 7451 1 11 . 1 1 90 90 GLY N N 90 108.320 108.320 109.154 -0.834 25137 7452 1 11 . 1 1 90 90 GLY C C 90 175.880 175.880 175.338 0.542 25137 7453 1 11 . 1 1 90 90 GLY CA C 90 48.310 48.310 47.412 0.898 25137 7454 1 11 . 1 1 90 90 GLY H H 90 7.790 7.790 7.741 0.049 25137 7455 1 11 . 1 1 91 91 GLU N N 91 120.490 120.490 121.052 -0.562 25137 7456 1 11 . 1 1 91 91 GLU HA H 91 4.043 4.043 4.050 -0.007 25137 7457 1 11 . 1 1 91 91 GLU C C 91 178.410 178.410 178.448 -0.038 25137 7458 1 11 . 1 1 91 91 GLU CA C 91 59.200 59.200 58.898 0.302 25137 7459 1 11 . 1 1 91 91 GLU CB C 91 29.240 29.240 29.107 0.133 25137 7460 1 11 . 1 1 91 91 GLU H H 91 8.580 8.580 8.249 0.331 25137 7461 1 11 . 1 1 92 92 LEU N N 92 121.740 121.740 120.775 0.965 25137 7462 1 11 . 1 1 92 92 LEU HA H 92 4.048 4.048 4.043 0.005 25137 7463 1 11 . 1 1 92 92 LEU C C 92 178.630 178.630 178.799 -0.169 25137 7464 1 11 . 1 1 92 92 LEU CA C 92 57.690 57.690 57.728 -0.038 25137 7465 1 11 . 1 1 92 92 LEU CB C 92 41.820 41.820 41.849 -0.029 25137 7466 1 11 . 1 1 92 92 LEU H H 92 7.690 7.690 7.880 -0.190 25137 7467 1 11 . 1 1 93 93 LEU N N 93 117.310 117.310 118.847 -1.537 25137 7468 1 11 . 1 1 93 93 LEU HA H 93 3.881 3.881 3.828 0.053 25137 7469 1 11 . 1 1 93 93 LEU C C 93 174.967 174.967 179.013 -4.046 25137 7470 1 11 . 1 1 93 93 LEU CA C 93 57.940 57.940 58.202 -0.262 25137 7471 1 11 . 1 1 93 93 LEU CB C 93 40.640 40.640 41.198 -0.558 25137 7472 1 11 . 1 1 93 93 LEU H H 93 8.160 8.160 8.645 -0.485 25137 7473 1 11 . 1 1 94 94 ARG N N 94 117.940 117.940 118.530 -0.590 25137 7474 1 11 . 1 1 94 94 ARG HA H 94 4.120 4.120 4.137 -0.017 25137 7475 1 11 . 1 1 94 94 ARG C C 94 177.870 177.870 178.020 -0.150 25137 7476 1 11 . 1 1 94 94 ARG CA C 94 58.450 58.450 58.925 -0.475 25137 7477 1 11 . 1 1 94 94 ARG CB C 94 30.370 30.370 30.097 0.273 25137 7478 1 11 . 1 1 94 94 ARG H H 94 7.770 7.770 7.691 0.079 25137 7479 1 11 . 1 1 95 95 LYS N N 95 118.380 118.380 117.602 0.778 25137 7480 1 11 . 1 1 95 95 LYS HA H 95 4.160 4.160 4.153 0.007 25137 7481 1 11 . 1 1 95 95 LYS C C 95 177.730 177.730 177.494 0.236 25137 7482 1 11 . 1 1 95 95 LYS CA C 95 57.600 57.600 58.605 -1.005 25137 7483 1 11 . 1 1 95 95 LYS CB C 95 32.770 32.770 32.743 0.027 25137 7484 1 11 . 1 1 95 95 LYS H H 95 7.640 7.640 7.422 0.218 25137 7485 1 11 . 1 1 96 96 ILE N N 96 120.160 120.160 117.023 3.137 25137 7486 1 11 . 1 1 96 96 ILE HA H 96 3.781 3.781 4.051 -0.270 25137 7487 1 11 . 1 1 96 96 ILE C C 96 175.840 175.840 176.433 -0.593 25137 7488 1 11 . 1 1 96 96 ILE CA C 96 63.720 63.720 63.177 0.543 25137 7489 1 11 . 1 1 96 96 ILE CB C 96 38.670 38.670 39.130 -0.461 25137 7490 1 11 . 1 1 96 96 ILE H H 96 7.980 7.980 7.561 0.419 25137 7491 1 11 . 1 1 97 97 ASP N N 97 120.510 120.510 121.330 -0.820 25137 7492 1 11 . 1 1 97 97 ASP HA H 97 4.380 4.380 4.291 0.089 25137 7493 1 11 . 1 1 97 97 ASP C C 97 173.580 173.580 173.912 -0.332 25137 7494 1 11 . 1 1 97 97 ASP CA C 97 54.300 54.300 55.247 -0.947 25137 7495 1 11 . 1 1 97 97 ASP CB C 97 39.490 39.490 40.512 -1.022 25137 7496 1 11 . 1 1 97 97 ASP H H 97 8.160 8.160 8.373 -0.213 25137 7497 1 11 . 1 1 98 98 ALA N N 98 123.800 123.800 124.074 -0.274 25137 7498 1 11 . 1 1 98 98 ALA HA H 98 4.550 4.550 4.608 -0.058 25137 7499 1 11 . 1 1 98 98 ALA CA C 98 49.860 49.860 50.820 -0.960 25137 7500 1 11 . 1 1 98 98 ALA CB C 98 21.070 21.070 20.379 0.691 25137 7501 1 11 . 1 1 98 98 ALA H H 98 7.680 7.680 7.995 -0.315 25137 7502 1 11 . 1 1 99 99 PRO HA H 99 4.370 4.370 4.483 -0.113 25137 7503 1 11 . 1 1 99 99 PRO C C 99 174.760 174.760 175.435 -0.675 25137 7504 1 11 . 1 1 99 99 PRO CA C 99 62.950 62.950 63.273 -0.323 25137 7505 1 11 . 1 1 99 99 PRO CB C 99 32.310 32.310 31.953 0.357 25137 7506 1 11 . 1 1 100 100 VAL N N 100 120.490 120.490 122.654 -2.164 25137 7507 1 11 . 1 1 100 100 VAL HA H 100 4.832 4.832 4.557 0.275 25137 7508 1 11 . 1 1 100 100 VAL C C 100 176.650 176.650 175.628 1.022 25137 7509 1 11 . 1 1 100 100 VAL CA C 100 60.450 60.450 62.037 -1.587 25137 7510 1 11 . 1 1 100 100 VAL CB C 100 34.830 34.830 34.360 0.470 25137 7511 1 11 . 1 1 100 100 VAL H H 100 8.270 8.270 8.276 -0.006 25137 7512 1 11 . 1 1 101 101 MET N N 101 127.420 127.420 127.119 0.301 25137 7513 1 11 . 1 1 101 101 MET HA H 101 4.705 4.705 4.725 -0.020 25137 7514 1 11 . 1 1 101 101 MET C C 101 174.490 174.490 174.825 -0.335 25137 7515 1 11 . 1 1 101 101 MET CA C 101 54.730 54.730 53.423 1.307 25137 7516 1 11 . 1 1 101 101 MET CB C 101 34.560 34.560 32.631 1.929 25137 7517 1 11 . 1 1 101 101 MET H H 101 9.240 9.240 9.225 0.015 25137 7518 1 11 . 1 1 102 102 ALA N N 102 128.590 128.590 128.078 0.512 25137 7519 1 11 . 1 1 102 102 ALA HA H 102 4.608 4.608 4.720 -0.112 25137 7520 1 11 . 1 1 102 102 ALA C C 102 177.935 177.935 176.839 1.096 25137 7521 1 11 . 1 1 102 102 ALA CA C 102 51.930 51.930 51.886 0.044 25137 7522 1 11 . 1 1 102 102 ALA CB C 102 19.040 19.040 20.081 -1.041 25137 7523 1 11 . 1 1 102 102 ALA H H 102 8.760 8.760 8.460 0.300 25137 7524 1 11 . 1 1 103 103 LYS N N 103 120.200 120.200 122.444 -2.244 25137 7525 1 11 . 1 1 103 103 LYS HA H 103 4.284 4.284 4.962 -0.678 25137 7526 1 11 . 1 1 103 103 LYS CA C 103 54.370 54.370 54.276 0.094 25137 7527 1 11 . 1 1 103 103 LYS CB C 103 34.190 34.190 32.282 1.908 25137 7528 1 11 . 1 1 103 103 LYS H H 103 7.300 7.300 8.264 -0.964 25137 7529 1 11 . 1 1 104 104 PRO HA H 104 4.611 4.611 4.489 0.122 25137 7530 1 11 . 1 1 104 104 PRO C C 104 174.980 174.980 175.616 -0.636 25137 7531 1 11 . 1 1 104 104 PRO CA C 104 62.626 62.626 62.758 -0.132 25137 7532 1 11 . 1 1 104 104 PRO CB C 104 33.867 33.867 32.301 1.566 25137 7533 1 11 . 1 1 105 105 ALA N N 105 125.082 125.082 124.695 0.387 25137 7534 1 11 . 1 1 105 105 ALA HA H 105 4.576 4.576 4.451 0.125 25137 7535 1 11 . 1 1 105 105 ALA C C 105 176.890 176.890 176.082 0.808 25137 7536 1 11 . 1 1 105 105 ALA CA C 105 51.177 51.177 51.345 -0.168 25137 7537 1 11 . 1 1 105 105 ALA CB C 105 21.735 21.735 21.585 0.150 25137 7538 1 11 . 1 1 105 105 ALA H H 105 8.668 8.668 8.205 0.463 25137 7539 1 11 . 1 1 106 106 ASP N N 106 122.306 122.306 124.037 -1.731 25137 7540 1 11 . 1 1 106 106 ASP HA H 106 4.636 4.636 4.634 0.002 25137 7541 1 11 . 1 1 106 106 ASP C C 106 178.383 178.383 177.556 0.827 25137 7542 1 11 . 1 1 106 106 ASP CA C 106 54.312 54.312 53.972 0.340 25137 7543 1 11 . 1 1 106 106 ASP CB C 106 41.260 41.260 42.216 -0.956 25137 7544 1 11 . 1 1 106 106 ASP H H 106 8.867 8.867 8.420 0.447 25137 7545 1 11 . 1 1 107 107 THR N N 107 119.540 119.540 118.488 1.052 25137 7546 1 11 . 1 1 107 107 THR HA H 107 3.573 3.573 4.030 -0.457 25137 7547 1 11 . 1 1 107 107 THR C C 107 176.393 176.393 176.323 0.070 25137 7548 1 11 . 1 1 107 107 THR CA C 107 65.940 65.940 65.230 0.710 25137 7549 1 11 . 1 1 107 107 THR CB C 107 68.191 68.191 68.620 -0.428 25137 7550 1 11 . 1 1 107 107 THR H H 107 8.658 8.658 8.589 0.069 25137 7551 1 11 . 1 1 108 108 SER N N 108 117.095 117.095 117.954 -0.859 25137 7552 1 11 . 1 1 108 108 SER HA H 108 4.140 4.140 4.049 0.091 25137 7553 1 11 . 1 1 108 108 SER C C 108 176.143 176.143 175.908 0.235 25137 7554 1 11 . 1 1 108 108 SER CA C 108 61.650 61.650 61.980 -0.330 25137 7555 1 11 . 1 1 108 108 SER CB C 108 62.450 62.450 62.951 -0.501 25137 7556 1 11 . 1 1 108 108 SER H H 108 8.480 8.480 8.237 0.243 25137 7557 1 11 . 1 1 109 109 ASP N N 109 122.520 122.520 122.474 0.046 25137 7558 1 11 . 1 1 109 109 ASP HA H 109 4.400 4.400 4.362 0.038 25137 7559 1 11 . 1 1 109 109 ASP C C 109 178.499 178.499 178.570 -0.071 25137 7560 1 11 . 1 1 109 109 ASP CA C 109 56.990 56.990 58.128 -1.138 25137 7561 1 11 . 1 1 109 109 ASP CB C 109 40.560 40.560 40.693 -0.133 25137 7562 1 11 . 1 1 109 109 ASP H H 109 7.350 7.350 7.727 -0.377 25137 7563 1 11 . 1 1 110 110 VAL N N 110 120.210 120.210 119.145 1.065 25137 7564 1 11 . 1 1 110 110 VAL HA H 110 3.262 3.262 3.587 -0.325 25137 7565 1 11 . 1 1 110 110 VAL C C 110 176.535 176.535 177.884 -1.349 25137 7566 1 11 . 1 1 110 110 VAL CA C 110 66.090 66.090 65.948 0.142 25137 7567 1 11 . 1 1 110 110 VAL CB C 110 31.400 31.400 30.880 0.520 25137 7568 1 11 . 1 1 110 110 VAL H H 110 7.440 7.440 7.881 -0.441 25137 7569 1 11 . 1 1 111 111 ALA N N 111 118.790 118.790 121.992 -3.202 25137 7570 1 11 . 1 1 111 111 ALA HA H 111 3.264 3.264 2.954 0.310 25137 7571 1 11 . 1 1 111 111 ALA C C 111 179.030 179.030 179.296 -0.266 25137 7572 1 11 . 1 1 111 111 ALA CA C 111 54.590 54.590 54.813 -0.223 25137 7573 1 11 . 1 1 111 111 ALA CB C 111 16.480 16.480 17.571 -1.091 25137 7574 1 11 . 1 1 111 111 ALA H H 111 7.610 7.610 7.725 -0.115 25137 7575 1 11 . 1 1 112 112 LYS N N 112 115.540 115.540 118.487 -2.947 25137 7576 1 11 . 1 1 112 112 LYS HA H 112 3.750 3.750 3.932 -0.182 25137 7577 1 11 . 1 1 112 112 LYS C C 112 179.470 179.470 179.251 0.219 25137 7578 1 11 . 1 1 112 112 LYS CA C 112 60.020 60.020 59.637 0.383 25137 7579 1 11 . 1 1 112 112 LYS CB C 112 32.680 32.680 32.285 0.395 25137 7580 1 11 . 1 1 112 112 LYS H H 112 7.840 7.840 8.104 -0.264 25137 7581 1 11 . 1 1 113 113 ARG N N 113 118.590 118.590 117.091 1.499 25137 7582 1 11 . 1 1 113 113 ARG HA H 113 4.021 4.021 4.438 -0.417 25137 7583 1 11 . 1 1 113 113 ARG C C 113 179.120 179.120 178.559 0.561 25137 7584 1 11 . 1 1 113 113 ARG CA C 113 58.180 58.180 57.652 0.528 25137 7585 1 11 . 1 1 113 113 ARG CB C 113 29.530 29.530 29.613 -0.083 25137 7586 1 11 . 1 1 113 113 ARG H H 113 7.860 7.860 7.793 0.067 25137 7587 1 11 . 1 1 114 114 ALA N N 114 120.520 120.520 122.328 -1.808 25137 7588 1 11 . 1 1 114 114 ALA HA H 114 4.046 4.046 4.285 -0.239 25137 7589 1 11 . 1 1 114 114 ALA C C 114 179.280 179.280 179.376 -0.096 25137 7590 1 11 . 1 1 114 114 ALA CA C 114 55.070 55.070 54.742 0.328 25137 7591 1 11 . 1 1 114 114 ALA CB C 114 17.920 17.920 19.140 -1.220 25137 7592 1 11 . 1 1 114 114 ALA H H 114 8.190 8.190 7.408 0.782 25137 7593 1 11 . 1 1 115 115 LEU N N 115 115.820 115.820 118.826 -3.006 25137 7594 1 11 . 1 1 115 115 LEU HA H 115 4.225 4.225 4.189 0.036 25137 7595 1 11 . 1 1 115 115 LEU C C 115 180.490 180.490 179.599 0.891 25137 7596 1 11 . 1 1 115 115 LEU CA C 115 57.600 57.600 57.205 0.395 25137 7597 1 11 . 1 1 115 115 LEU CB C 115 40.590 40.590 41.886 -1.296 25137 7598 1 11 . 1 1 115 115 LEU H H 115 8.320 8.320 8.703 -0.383 25137 7599 1 11 . 1 1 116 116 GLU N N 116 119.789 119.789 119.539 0.250 25137 7600 1 11 . 1 1 116 116 GLU HA H 116 4.109 4.109 4.088 0.021 25137 7601 1 11 . 1 1 116 116 GLU C C 116 178.790 178.790 179.273 -0.483 25137 7602 1 11 . 1 1 116 116 GLU CA C 116 58.625 58.625 58.914 -0.289 25137 7603 1 11 . 1 1 116 116 GLU CB C 116 29.548 29.548 28.955 0.593 25137 7604 1 11 . 1 1 116 116 GLU H H 116 7.904 7.904 8.323 -0.419 25137 7605 1 11 . 1 1 117 117 MET N N 117 116.426 116.426 119.693 -3.267 25137 7606 1 11 . 1 1 117 117 MET HA H 117 4.245 4.245 4.312 -0.067 25137 7607 1 11 . 1 1 117 117 MET C C 117 176.890 176.890 178.162 -1.272 25137 7608 1 11 . 1 1 117 117 MET CA C 117 57.638 57.638 58.646 -1.008 25137 7609 1 11 . 1 1 117 117 MET CB C 117 33.467 33.467 33.024 0.443 25137 7610 1 11 . 1 1 117 117 MET H H 117 7.712 7.712 7.668 0.044 25137 7611 1 11 . 1 1 118 118 CYS N N 118 113.993 113.993 114.014 -0.021 25137 7612 1 11 . 1 1 118 118 CYS HA H 118 4.699 4.699 4.600 0.099 25137 7613 1 11 . 1 1 118 118 CYS C C 118 174.750 174.750 176.595 -1.845 25137 7614 1 11 . 1 1 118 118 CYS CA C 118 58.541 58.541 56.742 1.799 25137 7615 1 11 . 1 1 118 118 CYS CB C 118 28.552 28.552 26.631 1.921 25137 7616 1 11 . 1 1 118 118 CYS H H 118 7.428 7.428 7.573 -0.145 25137 7617 1 11 . 1 1 119 119 GLY N N 119 109.823 109.823 109.172 0.651 25137 7618 1 11 . 1 1 119 119 GLY C C 119 174.660 174.660 174.526 0.134 25137 7619 1 11 . 1 1 119 119 GLY CA C 119 45.709 45.709 45.826 -0.117 25137 7620 1 11 . 1 1 119 119 GLY H H 119 8.056 8.056 7.740 0.316 25137 7621 1 11 . 1 1 120 120 GLY N N 120 108.821 108.821 108.357 0.464 25137 7622 1 11 . 1 1 120 120 GLY C C 120 173.790 173.790 172.539 1.251 25137 7623 1 11 . 1 1 120 120 GLY CA C 120 45.326 45.326 44.861 0.465 25137 7624 1 11 . 1 1 120 120 GLY H H 120 8.301 8.301 7.545 0.756 25137 7625 1 11 . 1 1 121 121 ASP N N 121 120.383 120.383 117.743 2.640 25137 7626 1 11 . 1 1 121 121 ASP HA H 121 4.591 4.591 4.690 -0.099 25137 7627 1 11 . 1 1 121 121 ASP C C 121 176.160 176.160 175.645 0.515 25137 7628 1 11 . 1 1 121 121 ASP CA C 121 54.313 54.313 53.156 1.157 25137 7629 1 11 . 1 1 121 121 ASP CB C 121 41.079 41.079 41.631 -0.552 25137 7630 1 11 . 1 1 121 121 ASP H H 121 8.438 8.438 8.222 0.216 25137 7631 1 11 . 1 1 122 122 LYS N N 122 121.450 121.450 120.763 0.687 25137 7632 1 11 . 1 1 122 122 LYS HA H 122 4.350 4.350 4.198 0.152 25137 7633 1 11 . 1 1 122 122 LYS C C 122 177.184 177.184 176.761 0.423 25137 7634 1 11 . 1 1 122 122 LYS CA C 122 55.890 55.890 57.286 -1.396 25137 7635 1 11 . 1 1 122 122 LYS CB C 122 33.190 33.190 32.398 0.792 25137 7636 1 11 . 1 1 122 122 LYS H H 122 8.258 8.258 8.420 -0.162 25137 7637 1 11 . 1 1 123 123 GLU N N 123 123.560 123.560 126.159 -2.599 25137 7638 1 11 . 1 1 123 123 GLU HA H 123 4.550 4.550 4.488 0.062 25137 7639 1 11 . 1 1 123 123 GLU CA C 123 54.470 54.470 54.462 0.008 25137 7640 1 11 . 1 1 123 123 GLU CB C 123 29.640 29.640 29.342 0.298 25137 7641 1 11 . 1 1 123 123 GLU H H 123 8.420 8.420 8.374 0.046 25137 7642 1 11 . 1 1 124 124 PRO HA H 124 4.384 4.384 4.598 -0.214 25137 7643 1 11 . 1 1 124 124 PRO C C 124 175.770 175.770 175.987 -0.217 25137 7644 1 11 . 1 1 124 124 PRO CA C 124 63.350 63.350 62.617 0.733 25137 7645 1 11 . 1 1 124 124 PRO CB C 124 32.300 32.300 32.759 -0.459 25137 7646 1 12 . 1 1 2 2 ALA N N 2 123.423 123.423 126.754 -3.331 25137 7647 1 12 . 1 1 2 2 ALA HA H 2 4.357 4.357 4.476 -0.119 25137 7648 1 12 . 1 1 2 2 ALA C C 2 177.811 177.811 176.467 1.344 25137 7649 1 12 . 1 1 2 2 ALA CA C 2 52.652 52.652 51.631 1.021 25137 7650 1 12 . 1 1 2 2 ALA CB C 2 19.488 19.488 17.847 1.641 25137 7651 1 12 . 1 1 2 2 ALA H H 2 7.983 7.983 8.389 -0.406 25137 7652 1 12 . 1 1 3 3 MET N N 3 119.390 119.390 120.792 -1.402 25137 7653 1 12 . 1 1 3 3 MET HA H 3 4.482 4.482 4.630 -0.148 25137 7654 1 12 . 1 1 3 3 MET C C 3 176.569 176.569 177.118 -0.549 25137 7655 1 12 . 1 1 3 3 MET CA C 3 55.570 55.570 55.080 0.490 25137 7656 1 12 . 1 1 3 3 MET CB C 3 32.900 32.900 34.604 -1.704 25137 7657 1 12 . 1 1 3 3 MET H H 3 8.570 8.570 7.794 0.776 25137 7658 1 12 . 1 1 4 4 GLY N N 4 110.130 110.130 116.573 -6.443 25137 7659 1 12 . 1 1 4 4 GLY C C 4 173.630 173.630 174.328 -0.698 25137 7660 1 12 . 1 1 4 4 GLY CA C 4 45.270 45.270 45.624 -0.354 25137 7661 1 12 . 1 1 4 4 GLY H H 4 8.370 8.370 8.817 -0.447 25137 7662 1 12 . 1 1 5 5 MET N N 5 121.570 121.570 123.679 -2.109 25137 7663 1 12 . 1 1 5 5 MET HA H 5 4.780 4.780 4.831 -0.051 25137 7664 1 12 . 1 1 5 5 MET CA C 5 53.630 53.630 53.600 0.030 25137 7665 1 12 . 1 1 5 5 MET CB C 5 33.140 33.140 33.320 -0.180 25137 7666 1 12 . 1 1 5 5 MET H H 5 8.210 8.210 7.798 0.412 25137 7667 1 12 . 1 1 6 6 PRO HA H 6 4.505 4.505 4.465 0.040 25137 7668 1 12 . 1 1 6 6 PRO C C 6 174.520 174.520 175.985 -1.465 25137 7669 1 12 . 1 1 6 6 PRO CA C 6 62.980 62.980 62.563 0.417 25137 7670 1 12 . 1 1 6 6 PRO CB C 6 32.400 32.400 32.151 0.249 25137 7671 1 12 . 1 1 7 7 LYS N N 7 123.443 123.443 126.116 -2.673 25137 7672 1 12 . 1 1 7 7 LYS HA H 7 5.000 5.000 4.857 0.143 25137 7673 1 12 . 1 1 7 7 LYS C C 7 175.920 175.920 176.141 -0.221 25137 7674 1 12 . 1 1 7 7 LYS CA C 7 54.911 54.911 55.023 -0.112 25137 7675 1 12 . 1 1 7 7 LYS CB C 7 33.635 33.635 32.564 1.071 25137 7676 1 12 . 1 1 7 7 LYS H H 7 9.675 9.675 9.360 0.315 25137 7677 1 12 . 1 1 8 8 VAL N N 8 125.859 125.859 128.061 -2.202 25137 7678 1 12 . 1 1 8 8 VAL HA H 8 4.723 4.723 4.958 -0.235 25137 7679 1 12 . 1 1 8 8 VAL C C 8 174.630 174.630 174.047 0.583 25137 7680 1 12 . 1 1 8 8 VAL CA C 8 59.726 59.726 60.819 -1.093 25137 7681 1 12 . 1 1 8 8 VAL CB C 8 34.991 34.991 33.246 1.745 25137 7682 1 12 . 1 1 8 8 VAL H H 8 8.851 8.851 9.116 -0.265 25137 7683 1 12 . 1 1 9 9 LEU N N 9 127.114 127.114 130.064 -2.950 25137 7684 1 12 . 1 1 9 9 LEU HA H 9 5.190 5.190 4.769 0.421 25137 7685 1 12 . 1 1 9 9 LEU C C 9 174.090 174.090 174.643 -0.553 25137 7686 1 12 . 1 1 9 9 LEU CA C 9 53.090 53.090 53.375 -0.285 25137 7687 1 12 . 1 1 9 9 LEU CB C 9 45.007 45.007 43.741 1.266 25137 7688 1 12 . 1 1 9 9 LEU H H 9 7.881 7.881 8.693 -0.812 25137 7689 1 12 . 1 1 10 10 VAL N N 10 128.024 128.024 128.074 -0.050 25137 7690 1 12 . 1 1 10 10 VAL HA H 10 4.647 4.647 4.457 0.190 25137 7691 1 12 . 1 1 10 10 VAL C C 10 172.900 172.900 174.087 -1.187 25137 7692 1 12 . 1 1 10 10 VAL CA C 10 61.206 61.206 61.587 -0.381 25137 7693 1 12 . 1 1 10 10 VAL CB C 10 34.541 34.541 32.521 2.020 25137 7694 1 12 . 1 1 10 10 VAL H H 10 8.952 8.952 9.214 -0.262 25137 7695 1 12 . 1 1 11 11 LEU N N 11 128.979 128.979 129.994 -1.015 25137 7696 1 12 . 1 1 11 11 LEU HA H 11 5.504 5.504 5.311 0.193 25137 7697 1 12 . 1 1 11 11 LEU C C 11 174.450 174.450 175.435 -0.985 25137 7698 1 12 . 1 1 11 11 LEU CA C 11 52.328 52.328 52.929 -0.601 25137 7699 1 12 . 1 1 11 11 LEU CB C 11 45.000 45.000 41.562 3.438 25137 7700 1 12 . 1 1 11 11 LEU H H 11 8.433 8.433 9.246 -0.813 25137 7701 1 12 . 1 1 12 12 GLU N N 12 128.158 128.158 125.166 2.992 25137 7702 1 12 . 1 1 12 12 GLU HA H 12 4.294 4.294 4.559 -0.265 25137 7703 1 12 . 1 1 12 12 GLU C C 12 173.120 173.120 174.553 -1.433 25137 7704 1 12 . 1 1 12 12 GLU CA C 12 56.964 56.964 56.008 0.956 25137 7705 1 12 . 1 1 12 12 GLU CB C 12 32.201 32.201 33.332 -1.131 25137 7706 1 12 . 1 1 12 12 GLU H H 12 8.532 8.532 8.820 -0.288 25137 7707 1 12 . 1 1 13 13 ASP N N 13 123.077 123.077 125.898 -2.821 25137 7708 1 12 . 1 1 13 13 ASP HA H 13 4.659 4.659 4.615 0.044 25137 7709 1 12 . 1 1 13 13 ASP C C 13 176.090 176.090 176.837 -0.747 25137 7710 1 12 . 1 1 13 13 ASP CA C 13 55.140 55.140 54.602 0.538 25137 7711 1 12 . 1 1 13 13 ASP CB C 13 40.524 40.524 41.897 -1.373 25137 7712 1 12 . 1 1 13 13 ASP H H 13 8.803 8.803 8.673 0.130 25137 7713 1 12 . 1 1 14 14 GLU N N 14 126.685 126.685 120.626 6.059 25137 7714 1 12 . 1 1 14 14 GLU HA H 14 4.809 4.809 4.668 0.141 25137 7715 1 12 . 1 1 14 14 GLU CA C 14 54.574 54.574 53.868 0.706 25137 7716 1 12 . 1 1 14 14 GLU CB C 14 29.310 29.310 29.725 -0.415 25137 7717 1 12 . 1 1 14 14 GLU H H 14 10.077 10.077 8.254 1.823 25137 7718 1 12 . 1 1 15 15 PRO HA H 15 4.273 4.273 4.208 0.065 25137 7719 1 12 . 1 1 15 15 PRO C C 15 179.110 179.110 178.148 0.962 25137 7720 1 12 . 1 1 15 15 PRO CA C 15 65.472 65.472 65.576 -0.104 25137 7721 1 12 . 1 1 15 15 PRO CB C 15 32.462 32.462 31.841 0.621 25137 7722 1 12 . 1 1 16 16 LEU N N 16 118.358 118.358 118.899 -0.541 25137 7723 1 12 . 1 1 16 16 LEU HA H 16 4.131 4.131 4.150 -0.019 25137 7724 1 12 . 1 1 16 16 LEU C C 16 179.260 179.260 178.620 0.640 25137 7725 1 12 . 1 1 16 16 LEU CA C 16 58.306 58.306 58.173 0.133 25137 7726 1 12 . 1 1 16 16 LEU CB C 16 41.731 41.731 41.344 0.387 25137 7727 1 12 . 1 1 16 16 LEU H H 16 8.851 8.851 8.205 0.646 25137 7728 1 12 . 1 1 17 17 ILE N N 17 117.680 117.680 119.225 -1.545 25137 7729 1 12 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.660 0.172 25137 7730 1 12 . 1 1 17 17 ILE C C 17 178.230 178.230 178.092 0.138 25137 7731 1 12 . 1 1 17 17 ILE CA C 17 63.344 63.344 64.970 -1.626 25137 7732 1 12 . 1 1 17 17 ILE CB C 17 36.564 36.564 37.412 -0.848 25137 7733 1 12 . 1 1 17 17 ILE H H 17 6.886 6.886 7.403 -0.517 25137 7734 1 12 . 1 1 18 18 ALA N N 18 122.321 122.321 123.384 -1.063 25137 7735 1 12 . 1 1 18 18 ALA HA H 18 3.720 3.720 3.904 -0.184 25137 7736 1 12 . 1 1 18 18 ALA C C 18 178.900 178.900 179.346 -0.446 25137 7737 1 12 . 1 1 18 18 ALA CA C 18 55.890 55.890 55.489 0.401 25137 7738 1 12 . 1 1 18 18 ALA CB C 18 18.165 18.165 18.206 -0.041 25137 7739 1 12 . 1 1 18 18 ALA H H 18 7.988 7.988 8.612 -0.624 25137 7740 1 12 . 1 1 19 19 MET N N 19 115.807 115.807 118.794 -2.987 25137 7741 1 12 . 1 1 19 19 MET HA H 19 3.999 3.999 4.059 -0.060 25137 7742 1 12 . 1 1 19 19 MET C C 19 177.180 177.180 178.136 -0.956 25137 7743 1 12 . 1 1 19 19 MET CA C 19 58.144 58.144 59.247 -1.103 25137 7744 1 12 . 1 1 19 19 MET CB C 19 32.852 32.852 32.842 0.010 25137 7745 1 12 . 1 1 19 19 MET H H 19 8.204 8.204 8.561 -0.357 25137 7746 1 12 . 1 1 20 20 ASN N N 20 117.843 117.843 118.841 -0.998 25137 7747 1 12 . 1 1 20 20 ASN HA H 20 4.545 4.545 4.696 -0.151 25137 7748 1 12 . 1 1 20 20 ASN C C 20 179.590 179.590 178.459 1.131 25137 7749 1 12 . 1 1 20 20 ASN CA C 20 56.222 56.222 56.023 0.199 25137 7750 1 12 . 1 1 20 20 ASN CB C 20 38.005 38.005 38.551 -0.546 25137 7751 1 12 . 1 1 20 20 ASN H H 20 7.839 7.839 8.274 -0.435 25137 7752 1 12 . 1 1 21 21 LEU N N 21 121.749 121.749 121.823 -0.074 25137 7753 1 12 . 1 1 21 21 LEU HA H 21 4.055 4.055 4.069 -0.014 25137 7754 1 12 . 1 1 21 21 LEU C C 21 177.750 177.750 178.782 -1.032 25137 7755 1 12 . 1 1 21 21 LEU CA C 21 58.268 58.268 58.513 -0.245 25137 7756 1 12 . 1 1 21 21 LEU CB C 21 42.605 42.605 41.908 0.697 25137 7757 1 12 . 1 1 21 21 LEU H H 21 8.601 8.601 8.896 -0.295 25137 7758 1 12 . 1 1 22 22 GLN N N 22 120.991 120.991 119.590 1.401 25137 7759 1 12 . 1 1 22 22 GLN HA H 22 3.935 3.935 3.960 -0.025 25137 7760 1 12 . 1 1 22 22 GLN C C 22 178.070 178.070 178.612 -0.542 25137 7761 1 12 . 1 1 22 22 GLN CA C 22 60.463 60.463 59.499 0.964 25137 7762 1 12 . 1 1 22 22 GLN CB C 22 26.902 26.902 28.605 -1.702 25137 7763 1 12 . 1 1 22 22 GLN H H 22 8.749 8.749 8.337 0.412 25137 7764 1 12 . 1 1 23 23 TYR N N 23 117.446 117.446 118.418 -0.972 25137 7765 1 12 . 1 1 23 23 TYR HA H 23 4.517 4.517 4.437 0.080 25137 7766 1 12 . 1 1 23 23 TYR C C 23 178.210 178.210 178.277 -0.067 25137 7767 1 12 . 1 1 23 23 TYR CA C 23 59.425 59.425 60.950 -1.525 25137 7768 1 12 . 1 1 23 23 TYR CB C 23 36.975 36.975 37.999 -1.024 25137 7769 1 12 . 1 1 23 23 TYR H H 23 8.450 8.450 8.575 -0.125 25137 7770 1 12 . 1 1 24 24 ALA N N 24 121.627 121.627 123.241 -1.614 25137 7771 1 12 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.025 0.075 25137 7772 1 12 . 1 1 24 24 ALA C C 24 180.910 180.910 179.232 1.678 25137 7773 1 12 . 1 1 24 24 ALA CA C 24 55.060 55.060 54.942 0.118 25137 7774 1 12 . 1 1 24 24 ALA CB C 24 18.070 18.070 18.040 0.030 25137 7775 1 12 . 1 1 24 24 ALA H H 24 7.765 7.765 8.066 -0.301 25137 7776 1 12 . 1 1 25 25 PHE N N 25 115.589 115.589 117.724 -2.135 25137 7777 1 12 . 1 1 25 25 PHE HA H 25 3.940 3.940 4.120 -0.180 25137 7778 1 12 . 1 1 25 25 PHE C C 25 179.090 179.090 178.459 0.631 25137 7779 1 12 . 1 1 25 25 PHE CA C 25 63.453 63.453 62.532 0.921 25137 7780 1 12 . 1 1 25 25 PHE CB C 25 39.484 39.484 38.908 0.576 25137 7781 1 12 . 1 1 25 25 PHE H H 25 8.348 8.348 8.695 -0.347 25137 7782 1 12 . 1 1 26 26 GLU N N 26 121.198 121.198 119.401 1.797 25137 7783 1 12 . 1 1 26 26 GLU HA H 26 4.429 4.429 4.330 0.099 25137 7784 1 12 . 1 1 26 26 GLU C C 26 181.680 181.680 178.748 2.932 25137 7785 1 12 . 1 1 26 26 GLU CA C 26 59.737 59.737 58.837 0.900 25137 7786 1 12 . 1 1 26 26 GLU CB C 26 28.925 28.925 29.409 -0.484 25137 7787 1 12 . 1 1 26 26 GLU H H 26 8.822 8.822 8.334 0.488 25137 7788 1 12 . 1 1 27 27 ASP N N 27 121.846 121.846 118.748 3.098 25137 7789 1 12 . 1 1 27 27 ASP HA H 27 4.468 4.468 4.483 -0.015 25137 7790 1 12 . 1 1 27 27 ASP C C 27 177.880 177.880 177.851 0.029 25137 7791 1 12 . 1 1 27 27 ASP CA C 27 56.996 56.996 56.660 0.336 25137 7792 1 12 . 1 1 27 27 ASP CB C 27 40.640 40.640 41.014 -0.374 25137 7793 1 12 . 1 1 27 27 ASP H H 27 8.424 8.424 7.935 0.489 25137 7794 1 12 . 1 1 28 28 GLU N N 28 115.759 115.759 116.978 -1.219 25137 7795 1 12 . 1 1 28 28 GLU HA H 28 4.331 4.331 4.445 -0.114 25137 7796 1 12 . 1 1 28 28 GLU C C 28 176.460 176.460 176.762 -0.302 25137 7797 1 12 . 1 1 28 28 GLU CA C 28 55.395 55.395 55.822 -0.427 25137 7798 1 12 . 1 1 28 28 GLU CB C 28 30.264 30.264 29.963 0.301 25137 7799 1 12 . 1 1 28 28 GLU H H 28 7.170 7.170 7.590 -0.420 25137 7800 1 12 . 1 1 29 29 GLY N N 29 106.899 106.899 107.604 -0.705 25137 7801 1 12 . 1 1 29 29 GLY C C 29 173.160 173.160 172.977 0.183 25137 7802 1 12 . 1 1 29 29 GLY CA C 29 45.589 45.589 45.380 0.209 25137 7803 1 12 . 1 1 29 29 GLY H H 29 7.889 7.889 7.765 0.124 25137 7804 1 12 . 1 1 30 30 ALA N N 30 121.007 121.007 120.633 0.374 25137 7805 1 12 . 1 1 30 30 ALA HA H 30 4.680 4.680 4.671 0.009 25137 7806 1 12 . 1 1 30 30 ALA C C 30 175.880 175.880 174.773 1.107 25137 7807 1 12 . 1 1 30 30 ALA CA C 30 50.666 50.666 50.902 -0.236 25137 7808 1 12 . 1 1 30 30 ALA CB C 30 21.882 21.882 22.017 -0.135 25137 7809 1 12 . 1 1 30 30 ALA H H 30 7.743 7.743 7.623 0.120 25137 7810 1 12 . 1 1 31 31 GLU N N 31 120.065 120.065 119.554 0.511 25137 7811 1 12 . 1 1 31 31 GLU HA H 31 4.664 4.664 4.824 -0.160 25137 7812 1 12 . 1 1 31 31 GLU C C 31 175.430 175.430 174.653 0.777 25137 7813 1 12 . 1 1 31 31 GLU CA C 31 55.136 55.136 54.550 0.586 25137 7814 1 12 . 1 1 31 31 GLU CB C 31 32.126 32.126 32.262 -0.136 25137 7815 1 12 . 1 1 31 31 GLU H H 31 8.595 8.595 8.432 0.163 25137 7816 1 12 . 1 1 32 32 VAL N N 32 123.414 123.414 124.754 -1.340 25137 7817 1 12 . 1 1 32 32 VAL HA H 32 4.787 4.787 4.965 -0.178 25137 7818 1 12 . 1 1 32 32 VAL C C 32 175.290 175.290 175.519 -0.229 25137 7819 1 12 . 1 1 32 32 VAL CA C 32 60.802 60.802 60.272 0.530 25137 7820 1 12 . 1 1 32 32 VAL CB C 32 34.991 34.991 34.674 0.317 25137 7821 1 12 . 1 1 32 32 VAL H H 32 8.872 8.872 8.386 0.485 25137 7822 1 12 . 1 1 33 33 VAL N N 33 128.158 128.158 124.850 3.308 25137 7823 1 12 . 1 1 33 33 VAL HA H 33 4.226 4.226 4.428 -0.202 25137 7824 1 12 . 1 1 33 33 VAL C C 33 173.830 173.830 174.559 -0.729 25137 7825 1 12 . 1 1 33 33 VAL CA C 33 60.990 60.990 60.481 0.509 25137 7826 1 12 . 1 1 33 33 VAL CB C 33 33.736 33.736 35.138 -1.401 25137 7827 1 12 . 1 1 33 33 VAL H H 33 9.042 9.042 9.025 0.017 25137 7828 1 12 . 1 1 34 34 VAL N N 34 126.239 126.239 125.690 0.549 25137 7829 1 12 . 1 1 34 34 VAL HA H 34 4.751 4.751 4.477 0.274 25137 7830 1 12 . 1 1 34 34 VAL C C 34 175.100 175.100 174.966 0.134 25137 7831 1 12 . 1 1 34 34 VAL CA C 34 61.389 61.389 61.654 -0.265 25137 7832 1 12 . 1 1 34 34 VAL CB C 34 33.193 33.193 33.441 -0.248 25137 7833 1 12 . 1 1 34 34 VAL H H 34 8.522 8.522 8.398 0.124 25137 7834 1 12 . 1 1 35 35 ALA N N 35 129.955 129.955 130.337 -0.382 25137 7835 1 12 . 1 1 35 35 ALA HA H 35 4.682 4.682 4.958 -0.276 25137 7836 1 12 . 1 1 35 35 ALA C C 35 174.380 174.380 175.584 -1.204 25137 7837 1 12 . 1 1 35 35 ALA CA C 35 50.154 50.154 50.448 -0.294 25137 7838 1 12 . 1 1 35 35 ALA CB C 35 22.922 22.922 22.341 0.581 25137 7839 1 12 . 1 1 35 35 ALA H H 35 9.388 9.388 9.056 0.332 25137 7840 1 12 . 1 1 36 36 ALA N N 36 121.011 121.011 122.824 -1.813 25137 7841 1 12 . 1 1 36 36 ALA HA H 36 4.632 4.632 4.670 -0.038 25137 7842 1 12 . 1 1 36 36 ALA C C 36 176.490 176.490 176.147 0.343 25137 7843 1 12 . 1 1 36 36 ALA CA C 36 51.778 51.778 52.783 -1.005 25137 7844 1 12 . 1 1 36 36 ALA CB C 36 21.506 21.506 19.180 2.325 25137 7845 1 12 . 1 1 36 36 ALA H H 36 8.539 8.539 8.827 -0.288 25137 7846 1 12 . 1 1 37 37 THR N N 37 102.880 102.880 107.184 -4.304 25137 7847 1 12 . 1 1 37 37 THR HA H 37 4.620 4.620 4.558 0.062 25137 7848 1 12 . 1 1 37 37 THR C C 37 174.710 174.710 175.577 -0.867 25137 7849 1 12 . 1 1 37 37 THR CA C 37 57.520 57.520 59.144 -1.624 25137 7850 1 12 . 1 1 37 37 THR CB C 37 72.972 72.972 72.131 0.841 25137 7851 1 12 . 1 1 37 37 THR H H 37 7.019 7.019 7.400 -0.381 25137 7852 1 12 . 1 1 38 38 CYS N N 38 120.553 120.553 119.807 0.746 25137 7853 1 12 . 1 1 38 38 CYS HA H 38 3.677 3.677 4.065 -0.388 25137 7854 1 12 . 1 1 38 38 CYS C C 38 176.020 176.020 177.091 -1.071 25137 7855 1 12 . 1 1 38 38 CYS CA C 38 63.179 63.179 62.576 0.603 25137 7856 1 12 . 1 1 38 38 CYS CB C 38 26.317 26.317 27.450 -1.133 25137 7857 1 12 . 1 1 38 38 CYS H H 38 9.398 9.398 8.872 0.526 25137 7858 1 12 . 1 1 39 39 GLU N N 39 118.521 118.521 120.761 -2.240 25137 7859 1 12 . 1 1 39 39 GLU HA H 39 3.829 3.829 3.887 -0.058 25137 7860 1 12 . 1 1 39 39 GLU C C 39 179.470 179.470 179.199 0.271 25137 7861 1 12 . 1 1 39 39 GLU CA C 39 60.594 60.594 59.850 0.744 25137 7862 1 12 . 1 1 39 39 GLU CB C 39 28.963 28.963 29.168 -0.205 25137 7863 1 12 . 1 1 39 39 GLU H H 39 8.960 8.960 8.456 0.504 25137 7864 1 12 . 1 1 40 40 GLN N N 40 118.602 118.602 118.527 0.075 25137 7865 1 12 . 1 1 40 40 GLN HA H 40 4.021 4.021 3.997 0.024 25137 7866 1 12 . 1 1 40 40 GLN C C 40 176.211 176.211 178.449 -2.238 25137 7867 1 12 . 1 1 40 40 GLN CA C 40 58.306 58.306 58.637 -0.331 25137 7868 1 12 . 1 1 40 40 GLN CB C 40 28.925 28.925 28.566 0.359 25137 7869 1 12 . 1 1 40 40 GLN H H 40 7.855 7.855 8.072 -0.217 25137 7870 1 12 . 1 1 41 41 ALA N N 41 122.395 122.395 123.232 -0.837 25137 7871 1 12 . 1 1 41 41 ALA HA H 41 3.735 3.735 3.994 -0.259 25137 7872 1 12 . 1 1 41 41 ALA C C 41 178.440 178.440 179.430 -0.990 25137 7873 1 12 . 1 1 41 41 ALA CA C 41 55.178 55.178 55.218 -0.040 25137 7874 1 12 . 1 1 41 41 ALA CB C 41 19.872 19.872 18.483 1.389 25137 7875 1 12 . 1 1 41 41 ALA H H 41 8.009 8.009 7.660 0.349 25137 7876 1 12 . 1 1 42 42 LEU N N 42 116.832 116.832 118.269 -1.437 25137 7877 1 12 . 1 1 42 42 LEU HA H 42 3.875 3.875 3.858 0.017 25137 7878 1 12 . 1 1 42 42 LEU C C 42 180.080 180.080 179.179 0.901 25137 7879 1 12 . 1 1 42 42 LEU CA C 42 58.011 58.011 57.551 0.460 25137 7880 1 12 . 1 1 42 42 LEU CB C 42 40.961 40.961 41.259 -0.298 25137 7881 1 12 . 1 1 42 42 LEU H H 42 8.497 8.497 8.633 -0.136 25137 7882 1 12 . 1 1 43 43 LYS N N 43 121.087 121.087 120.150 0.937 25137 7883 1 12 . 1 1 43 43 LYS HA H 43 4.065 4.065 3.919 0.146 25137 7884 1 12 . 1 1 43 43 LYS C C 43 178.500 178.500 178.694 -0.194 25137 7885 1 12 . 1 1 43 43 LYS CA C 43 59.256 59.256 59.666 -0.410 25137 7886 1 12 . 1 1 43 43 LYS CB C 43 32.295 32.295 32.243 0.052 25137 7887 1 12 . 1 1 43 43 LYS H H 43 7.593 7.593 8.264 -0.671 25137 7888 1 12 . 1 1 44 44 SER N N 44 115.150 115.150 115.688 -0.538 25137 7889 1 12 . 1 1 44 44 SER HA H 44 4.130 4.130 4.210 -0.080 25137 7890 1 12 . 1 1 44 44 SER C C 44 176.430 176.430 176.731 -0.301 25137 7891 1 12 . 1 1 44 44 SER CA C 44 62.900 62.900 61.190 1.710 25137 7892 1 12 . 1 1 44 44 SER CB C 44 62.900 62.900 63.067 -0.167 25137 7893 1 12 . 1 1 44 44 SER H H 44 8.100 8.100 7.739 0.361 25137 7894 1 12 . 1 1 45 45 LEU N N 45 120.050 120.050 123.026 -2.976 25137 7895 1 12 . 1 1 45 45 LEU HA H 45 4.121 4.121 4.082 0.039 25137 7896 1 12 . 1 1 45 45 LEU C C 45 177.260 177.260 177.426 -0.166 25137 7897 1 12 . 1 1 45 45 LEU CA C 45 56.770 56.770 57.704 -0.934 25137 7898 1 12 . 1 1 45 45 LEU CB C 45 42.389 42.389 41.688 0.701 25137 7899 1 12 . 1 1 45 45 LEU H H 45 8.050 8.050 8.495 -0.445 25137 7900 1 12 . 1 1 46 46 ALA N N 46 119.940 119.940 119.901 0.039 25137 7901 1 12 . 1 1 46 46 ALA HA H 46 4.093 4.093 4.066 0.027 25137 7902 1 12 . 1 1 46 46 ALA C C 46 179.310 179.310 179.034 0.276 25137 7903 1 12 . 1 1 46 46 ALA CA C 46 54.126 54.126 54.465 -0.339 25137 7904 1 12 . 1 1 46 46 ALA CB C 46 18.412 18.412 18.323 0.089 25137 7905 1 12 . 1 1 46 46 ALA H H 46 7.360 7.360 7.531 -0.171 25137 7906 1 12 . 1 1 47 47 ASP N N 47 115.277 115.277 118.897 -3.620 25137 7907 1 12 . 1 1 47 47 ASP HA H 47 4.610 4.610 4.527 0.083 25137 7908 1 12 . 1 1 47 47 ASP C C 47 175.930 175.930 176.728 -0.798 25137 7909 1 12 . 1 1 47 47 ASP CA C 47 55.087 55.087 55.373 -0.286 25137 7910 1 12 . 1 1 47 47 ASP CB C 47 42.364 42.364 41.651 0.712 25137 7911 1 12 . 1 1 47 47 ASP H H 47 7.583 7.583 8.266 -0.683 25137 7912 1 12 . 1 1 48 48 ASN N N 48 116.977 116.977 116.331 0.646 25137 7913 1 12 . 1 1 48 48 ASN HA H 48 5.219 5.219 5.144 0.075 25137 7914 1 12 . 1 1 48 48 ASN CA C 48 51.096 51.096 50.947 0.149 25137 7915 1 12 . 1 1 48 48 ASN CB C 48 42.381 42.381 40.411 1.970 25137 7916 1 12 . 1 1 48 48 ASN H H 48 7.727 7.727 8.419 -0.692 25137 7917 1 12 . 1 1 49 49 PRO HA H 49 4.551 4.551 4.594 -0.043 25137 7918 1 12 . 1 1 49 49 PRO C C 49 174.890 174.890 175.511 -0.621 25137 7919 1 12 . 1 1 49 49 PRO CA C 49 62.093 62.093 62.213 -0.120 25137 7920 1 12 . 1 1 49 49 PRO CB C 49 29.940 29.940 31.148 -1.208 25137 7921 1 12 . 1 1 50 50 ILE N N 50 122.280 122.280 123.869 -1.589 25137 7922 1 12 . 1 1 50 50 ILE HA H 50 3.908 3.908 3.968 -0.060 25137 7923 1 12 . 1 1 50 50 ILE C C 50 174.840 174.840 176.539 -1.699 25137 7924 1 12 . 1 1 50 50 ILE CA C 50 58.580 58.580 60.842 -2.262 25137 7925 1 12 . 1 1 50 50 ILE CB C 50 38.850 38.850 36.925 1.925 25137 7926 1 12 . 1 1 50 50 ILE H H 50 7.420 7.420 7.854 -0.434 25137 7927 1 12 . 1 1 51 51 ASP N N 51 123.770 123.770 126.985 -3.215 25137 7928 1 12 . 1 1 51 51 ASP HA H 51 4.749 4.749 4.712 0.037 25137 7929 1 12 . 1 1 51 51 ASP C C 51 175.114 175.114 175.710 -0.596 25137 7930 1 12 . 1 1 51 51 ASP CA C 51 56.930 56.930 55.681 1.249 25137 7931 1 12 . 1 1 51 51 ASP CB C 51 44.360 44.360 43.139 1.221 25137 7932 1 12 . 1 1 51 51 ASP H H 51 9.310 9.310 8.745 0.565 25137 7933 1 12 . 1 1 52 52 VAL N N 52 114.454 114.454 116.735 -2.281 25137 7934 1 12 . 1 1 52 52 VAL HA H 52 4.874 4.874 4.977 -0.103 25137 7935 1 12 . 1 1 52 52 VAL C C 52 171.129 171.129 173.172 -2.043 25137 7936 1 12 . 1 1 52 52 VAL CA C 52 59.850 59.850 60.009 -0.159 25137 7937 1 12 . 1 1 52 52 VAL CB C 52 32.980 32.980 35.032 -2.052 25137 7938 1 12 . 1 1 52 52 VAL H H 52 7.580 7.580 7.543 0.037 25137 7939 1 12 . 1 1 53 53 ALA N N 53 124.620 124.620 126.474 -1.854 25137 7940 1 12 . 1 1 53 53 ALA HA H 53 5.665 5.665 5.064 0.601 25137 7941 1 12 . 1 1 53 53 ALA C C 53 175.100 175.100 175.081 0.019 25137 7942 1 12 . 1 1 53 53 ALA CA C 53 49.810 49.810 50.436 -0.626 25137 7943 1 12 . 1 1 53 53 ALA CB C 53 25.750 25.750 22.710 3.040 25137 7944 1 12 . 1 1 53 53 ALA H H 53 7.780 7.780 8.710 -0.930 25137 7945 1 12 . 1 1 54 54 VAL N N 54 118.950 118.950 116.324 2.626 25137 7946 1 12 . 1 1 54 54 VAL HA H 54 4.647 4.647 5.045 -0.398 25137 7947 1 12 . 1 1 54 54 VAL C C 54 174.020 174.020 174.038 -0.018 25137 7948 1 12 . 1 1 54 54 VAL CA C 54 61.580 61.580 60.712 0.868 25137 7949 1 12 . 1 1 54 54 VAL CB C 54 34.320 34.320 33.748 0.572 25137 7950 1 12 . 1 1 54 54 VAL H H 54 8.730 8.730 8.845 -0.115 25137 7951 1 12 . 1 1 55 55 LEU N N 55 124.820 124.820 128.646 -3.826 25137 7952 1 12 . 1 1 55 55 LEU HA H 55 4.953 4.953 4.715 0.238 25137 7953 1 12 . 1 1 55 55 LEU C C 55 176.110 176.110 175.446 0.664 25137 7954 1 12 . 1 1 55 55 LEU CA C 55 53.540 53.540 53.882 -0.341 25137 7955 1 12 . 1 1 55 55 LEU CB C 55 42.690 42.690 43.472 -0.782 25137 7956 1 12 . 1 1 55 55 LEU H H 55 9.240 9.240 9.277 -0.037 25137 7957 1 12 . 1 1 56 56 ASP N N 56 124.220 124.220 124.620 -0.400 25137 7958 1 12 . 1 1 56 56 ASP HA H 56 5.629 5.629 4.845 0.784 25137 7959 1 12 . 1 1 56 56 ASP C C 56 174.460 174.460 176.858 -2.398 25137 7960 1 12 . 1 1 56 56 ASP CA C 56 52.930 52.930 53.501 -0.571 25137 7961 1 12 . 1 1 56 56 ASP CB C 56 43.400 43.400 42.553 0.847 25137 7962 1 12 . 1 1 56 56 ASP H H 56 8.360 8.360 8.771 -0.411 25137 7963 1 12 . 1 1 57 57 VAL N N 57 119.581 119.581 122.243 -2.662 25137 7964 1 12 . 1 1 57 57 VAL HA H 57 4.239 4.239 4.039 0.200 25137 7965 1 12 . 1 1 57 57 VAL C C 57 175.480 175.480 175.977 -0.497 25137 7966 1 12 . 1 1 57 57 VAL CA C 57 64.564 64.564 63.200 1.364 25137 7967 1 12 . 1 1 57 57 VAL CB C 57 32.520 32.520 31.486 1.034 25137 7968 1 12 . 1 1 57 57 VAL H H 57 7.022 7.022 8.334 -1.312 25137 7969 1 12 . 1 1 58 58 ASN N N 58 114.490 114.490 117.270 -2.780 25137 7970 1 12 . 1 1 58 58 ASN HA H 58 4.693 4.693 4.781 -0.088 25137 7971 1 12 . 1 1 58 58 ASN C C 58 173.400 173.400 176.126 -2.726 25137 7972 1 12 . 1 1 58 58 ASN CA C 58 53.570 53.570 51.854 1.716 25137 7973 1 12 . 1 1 58 58 ASN CB C 58 38.820 38.820 37.648 1.172 25137 7974 1 12 . 1 1 58 58 ASN H H 58 8.600 8.600 8.146 0.454 25137 7975 1 12 . 1 1 59 59 LEU N N 59 130.670 130.670 119.800 10.870 25137 7976 1 12 . 1 1 59 59 LEU HA H 59 4.647 4.647 4.219 0.428 25137 7977 1 12 . 1 1 59 59 LEU C C 59 175.340 175.340 177.904 -2.564 25137 7978 1 12 . 1 1 59 59 LEU CA C 59 53.550 53.550 56.620 -3.070 25137 7979 1 12 . 1 1 59 59 LEU CB C 59 41.430 41.430 42.276 -0.846 25137 7980 1 12 . 1 1 59 59 LEU H H 59 8.260 8.260 7.614 0.646 25137 7981 1 12 . 1 1 60 60 GLY N N 60 109.030 109.030 103.024 6.006 25137 7982 1 12 . 1 1 60 60 GLY CA C 60 44.610 44.610 44.758 -0.148 25137 7983 1 12 . 1 1 60 60 GLY H H 60 7.860 7.860 7.733 0.127 25137 7984 1 12 . 1 1 61 61 PRO HA H 61 4.385 4.385 4.305 0.080 25137 7985 1 12 . 1 1 61 61 PRO C C 61 177.960 177.960 177.698 0.262 25137 7986 1 12 . 1 1 61 61 PRO CA C 61 64.888 64.888 64.855 0.033 25137 7987 1 12 . 1 1 61 61 PRO CB C 61 32.070 32.070 32.130 -0.060 25137 7988 1 12 . 1 1 62 62 LYS N N 62 115.984 115.984 114.026 1.958 25137 7989 1 12 . 1 1 62 62 LYS HA H 62 4.524 4.524 4.462 0.062 25137 7990 1 12 . 1 1 62 62 LYS C C 62 175.810 175.810 175.672 0.138 25137 7991 1 12 . 1 1 62 62 LYS CA C 62 55.444 55.444 56.166 -0.722 25137 7992 1 12 . 1 1 62 62 LYS CB C 62 33.216 33.216 33.269 -0.053 25137 7993 1 12 . 1 1 62 62 LYS H H 62 8.625 8.625 7.874 0.751 25137 7994 1 12 . 1 1 63 63 SER N N 63 113.432 113.432 116.784 -3.352 25137 7995 1 12 . 1 1 63 63 SER HA H 63 4.609 4.609 4.280 0.329 25137 7996 1 12 . 1 1 63 63 SER C C 63 172.560 172.560 173.108 -0.548 25137 7997 1 12 . 1 1 63 63 SER CA C 63 57.715 57.715 59.315 -1.600 25137 7998 1 12 . 1 1 63 63 SER CB C 63 64.866 64.866 63.195 1.671 25137 7999 1 12 . 1 1 63 63 SER H H 63 7.389 7.389 7.851 -0.462 25137 8000 1 12 . 1 1 64 64 HIS N N 64 122.580 122.580 119.635 2.945 25137 8001 1 12 . 1 1 64 64 HIS HA H 64 5.833 5.833 4.891 0.942 25137 8002 1 12 . 1 1 64 64 HIS C C 64 176.210 176.210 174.807 1.403 25137 8003 1 12 . 1 1 64 64 HIS CA C 64 54.006 54.006 53.918 0.088 25137 8004 1 12 . 1 1 64 64 HIS CB C 64 34.092 34.092 32.558 1.534 25137 8005 1 12 . 1 1 64 64 HIS H H 64 7.762 7.762 7.868 -0.106 25137 8006 1 12 . 1 1 65 65 CYS N N 65 111.478 111.478 120.961 -9.483 25137 8007 1 12 . 1 1 65 65 CYS HA H 65 4.342 4.342 4.444 -0.102 25137 8008 1 12 . 1 1 65 65 CYS C C 65 175.881 175.881 174.811 1.070 25137 8009 1 12 . 1 1 65 65 CYS CA C 65 57.980 57.980 58.121 -0.141 25137 8010 1 12 . 1 1 65 65 CYS CB C 65 29.790 29.790 26.339 3.451 25137 8011 1 12 . 1 1 65 65 CYS H H 65 7.946 7.946 8.220 -0.274 25137 8012 1 12 . 1 1 66 66 GLY N N 66 120.340 120.340 113.196 7.144 25137 8013 1 12 . 1 1 66 66 GLY CA C 66 48.880 48.880 46.190 2.691 25137 8014 1 12 . 1 1 66 66 GLY H H 66 11.290 11.290 8.383 2.907 25137 8015 1 12 . 1 1 67 67 PRO HA H 67 4.386 4.386 4.256 0.130 25137 8016 1 12 . 1 1 67 67 PRO C C 67 179.860 179.860 178.551 1.309 25137 8017 1 12 . 1 1 67 67 PRO CA C 67 65.388 65.388 65.542 -0.154 25137 8018 1 12 . 1 1 67 67 PRO CB C 67 32.970 32.970 31.351 1.619 25137 8019 1 12 . 1 1 68 68 VAL N N 68 116.564 116.564 117.504 -0.940 25137 8020 1 12 . 1 1 68 68 VAL HA H 68 3.494 3.494 3.605 -0.111 25137 8021 1 12 . 1 1 68 68 VAL C C 68 176.350 176.350 177.587 -1.237 25137 8022 1 12 . 1 1 68 68 VAL CA C 68 64.839 64.839 66.555 -1.716 25137 8023 1 12 . 1 1 68 68 VAL CB C 68 31.396 31.396 31.107 0.289 25137 8024 1 12 . 1 1 68 68 VAL H H 68 7.471 7.471 8.084 -0.613 25137 8025 1 12 . 1 1 69 69 ALA N N 69 122.825 122.825 123.045 -0.220 25137 8026 1 12 . 1 1 69 69 ALA HA H 69 3.085 3.085 3.351 -0.266 25137 8027 1 12 . 1 1 69 69 ALA C C 69 179.280 179.280 179.114 0.166 25137 8028 1 12 . 1 1 69 69 ALA CA C 69 55.209 55.209 55.304 -0.095 25137 8029 1 12 . 1 1 69 69 ALA CB C 69 18.141 18.141 18.060 0.081 25137 8030 1 12 . 1 1 69 69 ALA H H 69 7.880 7.880 8.044 -0.164 25137 8031 1 12 . 1 1 70 70 ASP N N 70 116.269 116.269 118.683 -2.414 25137 8032 1 12 . 1 1 70 70 ASP HA H 70 4.314 4.314 4.295 0.019 25137 8033 1 12 . 1 1 70 70 ASP C C 70 178.300 178.300 177.980 0.320 25137 8034 1 12 . 1 1 70 70 ASP CA C 70 57.530 57.530 57.442 0.088 25137 8035 1 12 . 1 1 70 70 ASP CB C 70 40.582 40.582 40.889 -0.307 25137 8036 1 12 . 1 1 70 70 ASP H H 70 8.316 8.316 8.290 0.026 25137 8037 1 12 . 1 1 71 71 ALA N N 71 122.771 122.771 122.299 0.472 25137 8038 1 12 . 1 1 71 71 ALA HA H 71 4.045 4.045 4.015 0.030 25137 8039 1 12 . 1 1 71 71 ALA C C 71 180.700 180.700 179.932 0.768 25137 8040 1 12 . 1 1 71 71 ALA CA C 71 55.062 55.062 55.030 0.032 25137 8041 1 12 . 1 1 71 71 ALA CB C 71 18.675 18.675 18.320 0.355 25137 8042 1 12 . 1 1 71 71 ALA H H 71 7.156 7.156 7.748 -0.592 25137 8043 1 12 . 1 1 72 72 LEU N N 72 119.021 119.021 118.046 0.975 25137 8044 1 12 . 1 1 72 72 LEU HA H 72 3.824 3.824 3.800 0.024 25137 8045 1 12 . 1 1 72 72 LEU C C 72 179.560 179.560 179.339 0.221 25137 8046 1 12 . 1 1 72 72 LEU CA C 72 58.351 58.351 57.695 0.656 25137 8047 1 12 . 1 1 72 72 LEU CB C 72 40.437 40.437 41.321 -0.884 25137 8048 1 12 . 1 1 72 72 LEU H H 72 8.250 8.250 8.346 -0.096 25137 8049 1 12 . 1 1 73 73 LYS N N 73 120.087 120.087 119.045 1.042 25137 8050 1 12 . 1 1 73 73 LYS HA H 73 4.431 4.431 4.165 0.266 25137 8051 1 12 . 1 1 73 73 LYS C C 73 181.310 181.310 179.811 1.499 25137 8052 1 12 . 1 1 73 73 LYS CA C 73 59.307 59.307 58.773 0.534 25137 8053 1 12 . 1 1 73 73 LYS CB C 73 32.404 32.404 31.742 0.662 25137 8054 1 12 . 1 1 73 73 LYS H H 73 8.383 8.383 8.263 0.120 25137 8055 1 12 . 1 1 74 74 GLN N N 74 118.982 118.982 117.522 1.460 25137 8056 1 12 . 1 1 74 74 GLN HA H 74 4.074 4.074 4.195 -0.121 25137 8057 1 12 . 1 1 74 74 GLN C C 74 177.620 177.620 177.899 -0.279 25137 8058 1 12 . 1 1 74 74 GLN CA C 74 58.834 58.834 57.741 1.093 25137 8059 1 12 . 1 1 74 74 GLN CB C 74 28.505 28.505 28.487 0.018 25137 8060 1 12 . 1 1 74 74 GLN H H 74 8.015 8.015 8.158 -0.143 25137 8061 1 12 . 1 1 75 75 ARG N N 75 116.770 116.770 116.830 -0.060 25137 8062 1 12 . 1 1 75 75 ARG HA H 75 4.272 4.272 4.409 -0.137 25137 8063 1 12 . 1 1 75 75 ARG C C 75 174.310 174.310 175.672 -1.362 25137 8064 1 12 . 1 1 75 75 ARG CA C 75 55.950 55.950 55.699 0.251 25137 8065 1 12 . 1 1 75 75 ARG CB C 75 31.780 31.780 30.738 1.042 25137 8066 1 12 . 1 1 75 75 ARG H H 75 7.240 7.240 7.517 -0.277 25137 8067 1 12 . 1 1 76 76 ALA N N 76 122.020 122.020 120.267 1.753 25137 8068 1 12 . 1 1 76 76 ALA HA H 76 4.050 4.050 4.038 0.012 25137 8069 1 12 . 1 1 76 76 ALA C C 76 176.240 176.240 176.219 0.021 25137 8070 1 12 . 1 1 76 76 ALA CA C 76 53.170 53.170 52.781 0.389 25137 8071 1 12 . 1 1 76 76 ALA CB C 76 16.650 16.650 16.728 -0.078 25137 8072 1 12 . 1 1 76 76 ALA H H 76 8.065 8.065 7.587 0.478 25137 8073 1 12 . 1 1 77 77 ILE N N 77 122.300 122.300 119.455 2.845 25137 8074 1 12 . 1 1 77 77 ILE HA H 77 4.502 4.502 4.331 0.171 25137 8075 1 12 . 1 1 77 77 ILE CA C 77 58.610 58.610 58.764 -0.154 25137 8076 1 12 . 1 1 77 77 ILE CB C 77 40.000 40.000 38.751 1.250 25137 8077 1 12 . 1 1 77 77 ILE H H 77 8.080 8.080 8.079 0.001 25137 8078 1 12 . 1 1 78 78 PRO HA H 78 4.454 4.454 4.570 -0.116 25137 8079 1 12 . 1 1 78 78 PRO C C 78 174.680 174.680 175.467 -0.787 25137 8080 1 12 . 1 1 78 78 PRO CA C 78 62.622 62.622 62.681 -0.059 25137 8081 1 12 . 1 1 78 78 PRO CB C 78 32.772 32.772 32.250 0.522 25137 8082 1 12 . 1 1 79 79 PHE N N 79 109.800 109.800 115.952 -6.152 25137 8083 1 12 . 1 1 79 79 PHE HA H 79 5.656 5.656 5.516 0.140 25137 8084 1 12 . 1 1 79 79 PHE C C 79 172.780 172.780 173.529 -0.749 25137 8085 1 12 . 1 1 79 79 PHE CA C 79 55.612 55.612 55.832 -0.220 25137 8086 1 12 . 1 1 79 79 PHE CB C 79 42.181 42.181 42.297 -0.117 25137 8087 1 12 . 1 1 79 79 PHE H H 79 7.463 7.463 7.916 -0.453 25137 8088 1 12 . 1 1 80 80 ILE N N 80 114.746 114.746 120.173 -5.427 25137 8089 1 12 . 1 1 80 80 ILE HA H 80 4.545 4.545 4.553 -0.008 25137 8090 1 12 . 1 1 80 80 ILE C C 80 174.750 174.750 175.183 -0.433 25137 8091 1 12 . 1 1 80 80 ILE CA C 80 58.914 58.914 59.781 -0.867 25137 8092 1 12 . 1 1 80 80 ILE CB C 80 43.079 43.079 42.221 0.858 25137 8093 1 12 . 1 1 80 80 ILE H H 80 8.024 8.024 8.357 -0.334 25137 8094 1 12 . 1 1 81 81 LEU N N 81 124.450 124.450 126.874 -2.424 25137 8095 1 12 . 1 1 81 81 LEU HA H 81 5.470 5.470 5.105 0.365 25137 8096 1 12 . 1 1 81 81 LEU C C 81 175.620 175.620 176.161 -0.541 25137 8097 1 12 . 1 1 81 81 LEU CA C 81 53.345 53.345 53.307 0.038 25137 8098 1 12 . 1 1 81 81 LEU CB C 81 43.304 43.304 40.034 3.270 25137 8099 1 12 . 1 1 81 81 LEU H H 81 8.935 8.935 9.137 -0.202 25137 8100 1 12 . 1 1 82 82 HIS N N 82 126.167 126.167 126.357 -0.190 25137 8101 1 12 . 1 1 82 82 HIS HA H 82 5.880 5.880 5.388 0.492 25137 8102 1 12 . 1 1 82 82 HIS C C 82 172.730 172.730 174.583 -1.853 25137 8103 1 12 . 1 1 82 82 HIS CA C 82 52.947 52.947 54.003 -1.056 25137 8104 1 12 . 1 1 82 82 HIS CB C 82 31.171 31.171 30.262 0.909 25137 8105 1 12 . 1 1 82 82 HIS H H 82 8.828 8.828 8.685 0.143 25137 8106 1 12 . 1 1 83 83 THR N N 83 114.001 114.001 120.106 -6.105 25137 8107 1 12 . 1 1 83 83 THR HA H 83 5.305 5.305 4.849 0.456 25137 8108 1 12 . 1 1 83 83 THR C C 83 172.800 172.800 172.815 -0.015 25137 8109 1 12 . 1 1 83 83 THR CA C 83 58.807 58.807 60.108 -1.301 25137 8110 1 12 . 1 1 83 83 THR CB C 83 69.366 69.366 71.333 -1.967 25137 8111 1 12 . 1 1 83 83 THR H H 83 7.252 7.252 7.807 -0.555 25137 8112 1 12 . 1 1 84 84 GLY N N 84 115.666 115.666 109.980 5.686 25137 8113 1 12 . 1 1 84 84 GLY C C 84 173.764 173.764 174.540 -0.776 25137 8114 1 12 . 1 1 84 84 GLY CA C 84 45.284 45.284 44.635 0.650 25137 8115 1 12 . 1 1 84 84 GLY H H 84 8.483 8.483 8.943 -0.460 25137 8116 1 12 . 1 1 85 85 ASP N N 85 123.490 123.490 121.585 1.905 25137 8117 1 12 . 1 1 85 85 ASP HA H 85 4.982 4.982 5.033 -0.051 25137 8118 1 12 . 1 1 85 85 ASP C C 85 175.829 175.829 175.655 0.174 25137 8119 1 12 . 1 1 85 85 ASP CA C 85 53.420 53.420 53.351 0.069 25137 8120 1 12 . 1 1 85 85 ASP CB C 85 41.560 41.560 41.482 0.078 25137 8121 1 12 . 1 1 85 85 ASP H H 85 8.510 8.510 7.903 0.607 25137 8122 1 12 . 1 1 86 86 LEU N N 86 122.010 122.010 119.680 2.330 25137 8123 1 12 . 1 1 86 86 LEU HA H 86 3.997 3.997 4.110 -0.113 25137 8124 1 12 . 1 1 86 86 LEU C C 86 178.242 178.242 178.152 0.090 25137 8125 1 12 . 1 1 86 86 LEU CA C 86 57.410 57.410 57.908 -0.498 25137 8126 1 12 . 1 1 86 86 LEU CB C 86 42.000 42.000 42.108 -0.108 25137 8127 1 12 . 1 1 86 86 LEU H H 86 8.210 8.210 8.104 0.106 25137 8128 1 12 . 1 1 87 87 ASP N N 87 117.260 117.260 119.131 -1.871 25137 8129 1 12 . 1 1 87 87 ASP HA H 87 4.535 4.535 4.405 0.130 25137 8130 1 12 . 1 1 87 87 ASP C C 87 178.351 178.351 176.937 1.414 25137 8131 1 12 . 1 1 87 87 ASP CA C 87 56.010 56.010 56.112 -0.102 25137 8132 1 12 . 1 1 87 87 ASP CB C 87 41.400 41.400 40.043 1.357 25137 8133 1 12 . 1 1 87 87 ASP H H 87 8.290 8.290 8.758 -0.468 25137 8134 1 12 . 1 1 88 88 ARG N N 88 120.750 120.750 118.939 1.811 25137 8135 1 12 . 1 1 88 88 ARG HA H 88 4.015 4.015 4.257 -0.242 25137 8136 1 12 . 1 1 88 88 ARG C C 88 177.300 177.300 176.409 0.891 25137 8137 1 12 . 1 1 88 88 ARG CA C 88 58.340 58.340 56.616 1.724 25137 8138 1 12 . 1 1 88 88 ARG CB C 88 30.460 30.460 30.840 -0.380 25137 8139 1 12 . 1 1 88 88 ARG H H 88 8.040 8.040 7.998 0.042 25137 8140 1 12 . 1 1 89 89 HIS N N 89 115.580 115.580 116.908 -1.328 25137 8141 1 12 . 1 1 89 89 HIS HA H 89 5.026 5.026 4.845 0.181 25137 8142 1 12 . 1 1 89 89 HIS C C 89 175.670 175.670 175.586 0.084 25137 8143 1 12 . 1 1 89 89 HIS CA C 89 55.300 55.300 55.314 -0.014 25137 8144 1 12 . 1 1 89 89 HIS CB C 89 29.890 29.890 30.936 -1.046 25137 8145 1 12 . 1 1 89 89 HIS H H 89 7.900 7.900 7.638 0.262 25137 8146 1 12 . 1 1 90 90 GLY N N 90 108.320 108.320 108.869 -0.549 25137 8147 1 12 . 1 1 90 90 GLY C C 90 175.880 175.880 175.605 0.275 25137 8148 1 12 . 1 1 90 90 GLY CA C 90 48.310 48.310 46.988 1.322 25137 8149 1 12 . 1 1 90 90 GLY H H 90 7.790 7.790 8.438 -0.648 25137 8150 1 12 . 1 1 91 91 GLU N N 91 120.490 120.490 121.099 -0.609 25137 8151 1 12 . 1 1 91 91 GLU HA H 91 4.043 4.043 4.092 -0.049 25137 8152 1 12 . 1 1 91 91 GLU C C 91 178.410 178.410 178.261 0.149 25137 8153 1 12 . 1 1 91 91 GLU CA C 91 59.200 59.200 58.739 0.461 25137 8154 1 12 . 1 1 91 91 GLU CB C 91 29.240 29.240 29.075 0.165 25137 8155 1 12 . 1 1 91 91 GLU H H 91 8.580 8.580 8.065 0.515 25137 8156 1 12 . 1 1 92 92 LEU N N 92 121.740 121.740 121.150 0.590 25137 8157 1 12 . 1 1 92 92 LEU HA H 92 4.048 4.048 4.038 0.010 25137 8158 1 12 . 1 1 92 92 LEU C C 92 178.630 178.630 178.728 -0.098 25137 8159 1 12 . 1 1 92 92 LEU CA C 92 57.690 57.690 57.828 -0.138 25137 8160 1 12 . 1 1 92 92 LEU CB C 92 41.820 41.820 41.751 0.069 25137 8161 1 12 . 1 1 92 92 LEU H H 92 7.690 7.690 8.070 -0.380 25137 8162 1 12 . 1 1 93 93 LEU N N 93 117.310 117.310 118.042 -0.732 25137 8163 1 12 . 1 1 93 93 LEU HA H 93 3.881 3.881 3.862 0.019 25137 8164 1 12 . 1 1 93 93 LEU C C 93 174.967 174.967 178.932 -3.965 25137 8165 1 12 . 1 1 93 93 LEU CA C 93 57.940 57.940 58.278 -0.338 25137 8166 1 12 . 1 1 93 93 LEU CB C 93 40.640 40.640 41.179 -0.539 25137 8167 1 12 . 1 1 93 93 LEU H H 93 8.160 8.160 8.553 -0.393 25137 8168 1 12 . 1 1 94 94 ARG N N 94 117.940 117.940 118.985 -1.045 25137 8169 1 12 . 1 1 94 94 ARG HA H 94 4.120 4.120 4.087 0.033 25137 8170 1 12 . 1 1 94 94 ARG C C 94 177.870 177.870 178.113 -0.243 25137 8171 1 12 . 1 1 94 94 ARG CA C 94 58.450 58.450 58.908 -0.458 25137 8172 1 12 . 1 1 94 94 ARG CB C 94 30.370 30.370 30.042 0.328 25137 8173 1 12 . 1 1 94 94 ARG H H 94 7.770 7.770 7.572 0.198 25137 8174 1 12 . 1 1 95 95 LYS N N 95 118.380 118.380 118.372 0.008 25137 8175 1 12 . 1 1 95 95 LYS HA H 95 4.160 4.160 4.058 0.102 25137 8176 1 12 . 1 1 95 95 LYS C C 95 177.730 177.730 178.344 -0.614 25137 8177 1 12 . 1 1 95 95 LYS CA C 95 57.600 57.600 59.104 -1.504 25137 8178 1 12 . 1 1 95 95 LYS CB C 95 32.770 32.770 32.694 0.076 25137 8179 1 12 . 1 1 95 95 LYS H H 95 7.640 7.640 7.729 -0.089 25137 8180 1 12 . 1 1 96 96 ILE N N 96 120.160 120.160 116.071 4.089 25137 8181 1 12 . 1 1 96 96 ILE HA H 96 3.781 3.781 4.000 -0.219 25137 8182 1 12 . 1 1 96 96 ILE C C 96 175.840 175.840 176.453 -0.613 25137 8183 1 12 . 1 1 96 96 ILE CA C 96 63.720 63.720 63.353 0.367 25137 8184 1 12 . 1 1 96 96 ILE CB C 96 38.670 38.670 38.931 -0.261 25137 8185 1 12 . 1 1 96 96 ILE H H 96 7.980 7.980 7.900 0.080 25137 8186 1 12 . 1 1 97 97 ASP N N 97 120.510 120.510 121.109 -0.599 25137 8187 1 12 . 1 1 97 97 ASP HA H 97 4.380 4.380 4.259 0.121 25137 8188 1 12 . 1 1 97 97 ASP C C 97 173.580 173.580 173.883 -0.303 25137 8189 1 12 . 1 1 97 97 ASP CA C 97 54.300 54.300 55.261 -0.961 25137 8190 1 12 . 1 1 97 97 ASP CB C 97 39.490 39.490 40.206 -0.716 25137 8191 1 12 . 1 1 97 97 ASP H H 97 8.160 8.160 8.326 -0.166 25137 8192 1 12 . 1 1 98 98 ALA N N 98 123.800 123.800 123.260 0.540 25137 8193 1 12 . 1 1 98 98 ALA HA H 98 4.550 4.550 4.544 0.006 25137 8194 1 12 . 1 1 98 98 ALA CA C 98 49.860 49.860 50.680 -0.820 25137 8195 1 12 . 1 1 98 98 ALA CB C 98 21.070 21.070 20.468 0.602 25137 8196 1 12 . 1 1 98 98 ALA H H 98 7.680 7.680 8.065 -0.385 25137 8197 1 12 . 1 1 99 99 PRO HA H 99 4.370 4.370 4.474 -0.104 25137 8198 1 12 . 1 1 99 99 PRO C C 99 174.760 174.760 175.556 -0.796 25137 8199 1 12 . 1 1 99 99 PRO CA C 99 62.950 62.950 63.296 -0.346 25137 8200 1 12 . 1 1 99 99 PRO CB C 99 32.310 32.310 32.024 0.286 25137 8201 1 12 . 1 1 100 100 VAL N N 100 120.490 120.490 121.823 -1.333 25137 8202 1 12 . 1 1 100 100 VAL HA H 100 4.832 4.832 4.769 0.063 25137 8203 1 12 . 1 1 100 100 VAL C C 100 176.650 176.650 175.464 1.186 25137 8204 1 12 . 1 1 100 100 VAL CA C 100 60.450 60.450 61.318 -0.868 25137 8205 1 12 . 1 1 100 100 VAL CB C 100 34.830 34.830 34.575 0.255 25137 8206 1 12 . 1 1 100 100 VAL H H 100 8.270 8.270 8.227 0.043 25137 8207 1 12 . 1 1 101 101 MET N N 101 127.420 127.420 126.475 0.945 25137 8208 1 12 . 1 1 101 101 MET HA H 101 4.705 4.705 4.732 -0.027 25137 8209 1 12 . 1 1 101 101 MET C C 101 174.490 174.490 174.916 -0.426 25137 8210 1 12 . 1 1 101 101 MET CA C 101 54.730 54.730 53.264 1.466 25137 8211 1 12 . 1 1 101 101 MET CB C 101 34.560 34.560 33.023 1.536 25137 8212 1 12 . 1 1 101 101 MET H H 101 9.240 9.240 9.168 0.072 25137 8213 1 12 . 1 1 102 102 ALA N N 102 128.590 128.590 129.030 -0.440 25137 8214 1 12 . 1 1 102 102 ALA HA H 102 4.608 4.608 4.974 -0.366 25137 8215 1 12 . 1 1 102 102 ALA C C 102 177.935 177.935 176.898 1.037 25137 8216 1 12 . 1 1 102 102 ALA CA C 102 51.930 51.930 51.731 0.199 25137 8217 1 12 . 1 1 102 102 ALA CB C 102 19.040 19.040 19.986 -0.946 25137 8218 1 12 . 1 1 102 102 ALA H H 102 8.760 8.760 8.483 0.277 25137 8219 1 12 . 1 1 103 103 LYS N N 103 120.200 120.200 123.480 -3.280 25137 8220 1 12 . 1 1 103 103 LYS HA H 103 4.284 4.284 4.913 -0.629 25137 8221 1 12 . 1 1 103 103 LYS CA C 103 54.370 54.370 54.156 0.214 25137 8222 1 12 . 1 1 103 103 LYS CB C 103 34.190 34.190 32.392 1.798 25137 8223 1 12 . 1 1 103 103 LYS H H 103 7.300 7.300 7.860 -0.560 25137 8224 1 12 . 1 1 104 104 PRO HA H 104 4.611 4.611 4.566 0.045 25137 8225 1 12 . 1 1 104 104 PRO C C 104 174.980 174.980 175.662 -0.682 25137 8226 1 12 . 1 1 104 104 PRO CA C 104 62.626 62.626 62.778 -0.152 25137 8227 1 12 . 1 1 104 104 PRO CB C 104 33.867 33.867 32.180 1.687 25137 8228 1 12 . 1 1 105 105 ALA N N 105 125.082 125.082 124.764 0.318 25137 8229 1 12 . 1 1 105 105 ALA HA H 105 4.576 4.576 4.472 0.104 25137 8230 1 12 . 1 1 105 105 ALA C C 105 176.890 176.890 176.049 0.841 25137 8231 1 12 . 1 1 105 105 ALA CA C 105 51.177 51.177 51.178 -0.001 25137 8232 1 12 . 1 1 105 105 ALA CB C 105 21.735 21.735 21.683 0.052 25137 8233 1 12 . 1 1 105 105 ALA H H 105 8.668 8.668 8.211 0.457 25137 8234 1 12 . 1 1 106 106 ASP N N 106 122.306 122.306 123.761 -1.455 25137 8235 1 12 . 1 1 106 106 ASP HA H 106 4.636 4.636 4.639 -0.003 25137 8236 1 12 . 1 1 106 106 ASP C C 106 178.383 178.383 177.866 0.517 25137 8237 1 12 . 1 1 106 106 ASP CA C 106 54.312 54.312 54.084 0.228 25137 8238 1 12 . 1 1 106 106 ASP CB C 106 41.260 41.260 42.569 -1.308 25137 8239 1 12 . 1 1 106 106 ASP H H 106 8.867 8.867 8.559 0.308 25137 8240 1 12 . 1 1 107 107 THR N N 107 119.540 119.540 118.816 0.724 25137 8241 1 12 . 1 1 107 107 THR HA H 107 3.573 3.573 4.022 -0.450 25137 8242 1 12 . 1 1 107 107 THR C C 107 176.393 176.393 176.061 0.332 25137 8243 1 12 . 1 1 107 107 THR CA C 107 65.940 65.940 65.016 0.924 25137 8244 1 12 . 1 1 107 107 THR CB C 107 68.191 68.191 68.601 -0.410 25137 8245 1 12 . 1 1 107 107 THR H H 107 8.658 8.658 8.556 0.102 25137 8246 1 12 . 1 1 108 108 SER N N 108 117.095 117.095 117.457 -0.362 25137 8247 1 12 . 1 1 108 108 SER HA H 108 4.140 4.140 4.036 0.104 25137 8248 1 12 . 1 1 108 108 SER C C 108 176.143 176.143 176.045 0.098 25137 8249 1 12 . 1 1 108 108 SER CA C 108 61.650 61.650 62.005 -0.355 25137 8250 1 12 . 1 1 108 108 SER CB C 108 62.450 62.450 62.596 -0.146 25137 8251 1 12 . 1 1 108 108 SER H H 108 8.480 8.480 8.409 0.071 25137 8252 1 12 . 1 1 109 109 ASP N N 109 122.520 122.520 123.086 -0.566 25137 8253 1 12 . 1 1 109 109 ASP HA H 109 4.400 4.400 4.431 -0.031 25137 8254 1 12 . 1 1 109 109 ASP C C 109 178.499 178.499 178.368 0.131 25137 8255 1 12 . 1 1 109 109 ASP CA C 109 56.990 56.990 57.136 -0.146 25137 8256 1 12 . 1 1 109 109 ASP CB C 109 40.560 40.560 40.635 -0.075 25137 8257 1 12 . 1 1 109 109 ASP H H 109 7.350 7.350 7.666 -0.316 25137 8258 1 12 . 1 1 110 110 VAL N N 110 120.210 120.210 120.260 -0.050 25137 8259 1 12 . 1 1 110 110 VAL HA H 110 3.262 3.262 3.569 -0.307 25137 8260 1 12 . 1 1 110 110 VAL C C 110 176.535 176.535 177.568 -1.033 25137 8261 1 12 . 1 1 110 110 VAL CA C 110 66.090 66.090 66.393 -0.303 25137 8262 1 12 . 1 1 110 110 VAL CB C 110 31.400 31.400 31.136 0.264 25137 8263 1 12 . 1 1 110 110 VAL H H 110 7.440 7.440 7.737 -0.297 25137 8264 1 12 . 1 1 111 111 ALA N N 111 118.790 118.790 121.679 -2.889 25137 8265 1 12 . 1 1 111 111 ALA HA H 111 3.264 3.264 2.672 0.592 25137 8266 1 12 . 1 1 111 111 ALA C C 111 179.030 179.030 179.255 -0.225 25137 8267 1 12 . 1 1 111 111 ALA CA C 111 54.590 54.590 54.729 -0.139 25137 8268 1 12 . 1 1 111 111 ALA CB C 111 16.480 16.480 17.348 -0.868 25137 8269 1 12 . 1 1 111 111 ALA H H 111 7.610 7.610 7.921 -0.311 25137 8270 1 12 . 1 1 112 112 LYS N N 112 115.540 115.540 118.367 -2.827 25137 8271 1 12 . 1 1 112 112 LYS HA H 112 3.750 3.750 3.849 -0.099 25137 8272 1 12 . 1 1 112 112 LYS C C 112 179.470 179.470 179.222 0.248 25137 8273 1 12 . 1 1 112 112 LYS CA C 112 60.020 60.020 59.823 0.197 25137 8274 1 12 . 1 1 112 112 LYS CB C 112 32.680 32.680 32.252 0.428 25137 8275 1 12 . 1 1 112 112 LYS H H 112 7.840 7.840 8.061 -0.221 25137 8276 1 12 . 1 1 113 113 ARG N N 113 118.590 118.590 118.259 0.331 25137 8277 1 12 . 1 1 113 113 ARG HA H 113 4.021 4.021 4.061 -0.040 25137 8278 1 12 . 1 1 113 113 ARG C C 113 179.120 179.120 178.706 0.414 25137 8279 1 12 . 1 1 113 113 ARG CA C 113 58.180 58.180 58.392 -0.212 25137 8280 1 12 . 1 1 113 113 ARG CB C 113 29.530 29.530 29.494 0.036 25137 8281 1 12 . 1 1 113 113 ARG H H 113 7.860 7.860 7.760 0.100 25137 8282 1 12 . 1 1 114 114 ALA N N 114 120.520 120.520 122.132 -1.612 25137 8283 1 12 . 1 1 114 114 ALA HA H 114 4.046 4.046 4.203 -0.157 25137 8284 1 12 . 1 1 114 114 ALA C C 114 179.280 179.280 180.290 -1.010 25137 8285 1 12 . 1 1 114 114 ALA CA C 114 55.070 55.070 54.884 0.186 25137 8286 1 12 . 1 1 114 114 ALA CB C 114 17.920 17.920 18.712 -0.792 25137 8287 1 12 . 1 1 114 114 ALA H H 114 8.190 8.190 7.782 0.408 25137 8288 1 12 . 1 1 115 115 LEU N N 115 115.820 115.820 118.075 -2.255 25137 8289 1 12 . 1 1 115 115 LEU HA H 115 4.225 4.225 4.117 0.108 25137 8290 1 12 . 1 1 115 115 LEU C C 115 180.490 180.490 179.524 0.966 25137 8291 1 12 . 1 1 115 115 LEU CA C 115 57.600 57.600 57.468 0.132 25137 8292 1 12 . 1 1 115 115 LEU CB C 115 40.590 40.590 41.602 -1.012 25137 8293 1 12 . 1 1 115 115 LEU H H 115 8.320 8.320 8.497 -0.177 25137 8294 1 12 . 1 1 116 116 GLU N N 116 119.789 119.789 118.725 1.064 25137 8295 1 12 . 1 1 116 116 GLU HA H 116 4.109 4.109 4.126 -0.017 25137 8296 1 12 . 1 1 116 116 GLU C C 116 178.790 178.790 178.633 0.157 25137 8297 1 12 . 1 1 116 116 GLU CA C 116 58.625 58.625 59.082 -0.457 25137 8298 1 12 . 1 1 116 116 GLU CB C 116 29.548 29.548 29.355 0.193 25137 8299 1 12 . 1 1 116 116 GLU H H 116 7.904 7.904 8.372 -0.468 25137 8300 1 12 . 1 1 117 117 MET N N 117 116.426 116.426 115.999 0.427 25137 8301 1 12 . 1 1 117 117 MET HA H 117 4.245 4.245 4.361 -0.116 25137 8302 1 12 . 1 1 117 117 MET C C 117 176.890 176.890 176.457 0.433 25137 8303 1 12 . 1 1 117 117 MET CA C 117 57.638 57.638 57.123 0.515 25137 8304 1 12 . 1 1 117 117 MET CB C 117 33.467 33.467 32.924 0.543 25137 8305 1 12 . 1 1 117 117 MET H H 117 7.712 7.712 7.559 0.153 25137 8306 1 12 . 1 1 118 118 CYS N N 118 113.993 113.993 119.277 -5.284 25137 8307 1 12 . 1 1 118 118 CYS HA H 118 4.699 4.699 4.541 0.158 25137 8308 1 12 . 1 1 118 118 CYS C C 118 174.750 174.750 175.712 -0.962 25137 8309 1 12 . 1 1 118 118 CYS CA C 118 58.541 58.541 57.238 1.303 25137 8310 1 12 . 1 1 118 118 CYS CB C 118 28.552 28.552 26.891 1.661 25137 8311 1 12 . 1 1 118 118 CYS H H 118 7.428 7.428 7.254 0.174 25137 8312 1 12 . 1 1 119 119 GLY N N 119 109.823 109.823 109.938 -0.115 25137 8313 1 12 . 1 1 119 119 GLY C C 119 174.660 174.660 174.596 0.064 25137 8314 1 12 . 1 1 119 119 GLY CA C 119 45.709 45.709 45.763 -0.054 25137 8315 1 12 . 1 1 119 119 GLY H H 119 8.056 8.056 7.457 0.599 25137 8316 1 12 . 1 1 120 120 GLY N N 120 108.821 108.821 116.299 -7.478 25137 8317 1 12 . 1 1 120 120 GLY C C 120 173.790 173.790 174.293 -0.503 25137 8318 1 12 . 1 1 120 120 GLY CA C 120 45.326 45.326 46.338 -1.012 25137 8319 1 12 . 1 1 120 120 GLY H H 120 8.301 8.301 8.249 0.052 25137 8320 1 12 . 1 1 121 121 ASP N N 121 120.383 120.383 122.119 -1.736 25137 8321 1 12 . 1 1 121 121 ASP HA H 121 4.591 4.591 4.642 -0.051 25137 8322 1 12 . 1 1 121 121 ASP C C 121 176.160 176.160 174.594 1.566 25137 8323 1 12 . 1 1 121 121 ASP CA C 121 54.313 54.313 53.451 0.862 25137 8324 1 12 . 1 1 121 121 ASP CB C 121 41.079 41.079 41.798 -0.720 25137 8325 1 12 . 1 1 121 121 ASP H H 121 8.438 8.438 8.334 0.104 25137 8326 1 12 . 1 1 122 122 LYS N N 122 121.450 121.450 121.386 0.064 25137 8327 1 12 . 1 1 122 122 LYS HA H 122 4.350 4.350 4.537 -0.187 25137 8328 1 12 . 1 1 122 122 LYS C C 122 177.184 177.184 174.727 2.457 25137 8329 1 12 . 1 1 122 122 LYS CA C 122 55.890 55.890 55.921 -0.031 25137 8330 1 12 . 1 1 122 122 LYS CB C 122 33.190 33.190 34.789 -1.599 25137 8331 1 12 . 1 1 122 122 LYS H H 122 8.258 8.258 7.569 0.689 25137 8332 1 12 . 1 1 123 123 GLU N N 123 123.560 123.560 125.290 -1.730 25137 8333 1 12 . 1 1 123 123 GLU HA H 123 4.550 4.550 4.347 0.203 25137 8334 1 12 . 1 1 123 123 GLU CA C 123 54.470 54.470 54.465 0.005 25137 8335 1 12 . 1 1 123 123 GLU CB C 123 29.640 29.640 29.498 0.142 25137 8336 1 12 . 1 1 123 123 GLU H H 123 8.420 8.420 8.581 -0.161 25137 8337 1 12 . 1 1 124 124 PRO HA H 124 4.384 4.384 4.343 0.041 25137 8338 1 12 . 1 1 124 124 PRO C C 124 175.770 175.770 175.440 0.330 25137 8339 1 12 . 1 1 124 124 PRO CA C 124 63.350 63.350 63.199 0.151 25137 8340 1 12 . 1 1 124 124 PRO CB C 124 32.300 32.300 30.835 1.465 25137 8341 1 13 . 1 1 2 2 ALA N N 2 123.423 123.423 124.461 -1.038 25137 8342 1 13 . 1 1 2 2 ALA HA H 2 4.357 4.357 4.537 -0.180 25137 8343 1 13 . 1 1 2 2 ALA C C 2 177.811 177.811 177.108 0.703 25137 8344 1 13 . 1 1 2 2 ALA CA C 2 52.652 52.652 52.444 0.208 25137 8345 1 13 . 1 1 2 2 ALA CB C 2 19.488 19.488 18.049 1.438 25137 8346 1 13 . 1 1 2 2 ALA H H 2 7.983 7.983 8.429 -0.446 25137 8347 1 13 . 1 1 3 3 MET N N 3 119.390 119.390 117.781 1.609 25137 8348 1 13 . 1 1 3 3 MET HA H 3 4.482 4.482 4.594 -0.112 25137 8349 1 13 . 1 1 3 3 MET C C 3 176.569 176.569 177.918 -1.349 25137 8350 1 13 . 1 1 3 3 MET CA C 3 55.570 55.570 54.011 1.559 25137 8351 1 13 . 1 1 3 3 MET CB C 3 32.900 32.900 32.753 0.147 25137 8352 1 13 . 1 1 3 3 MET H H 3 8.570 8.570 8.043 0.527 25137 8353 1 13 . 1 1 4 4 GLY N N 4 110.130 110.130 109.892 0.238 25137 8354 1 13 . 1 1 4 4 GLY C C 4 173.630 173.630 174.033 -0.403 25137 8355 1 13 . 1 1 4 4 GLY CA C 4 45.270 45.270 45.236 0.034 25137 8356 1 13 . 1 1 4 4 GLY H H 4 8.370 8.370 8.201 0.169 25137 8357 1 13 . 1 1 5 5 MET N N 5 121.570 121.570 120.900 0.670 25137 8358 1 13 . 1 1 5 5 MET HA H 5 4.780 4.780 5.049 -0.269 25137 8359 1 13 . 1 1 5 5 MET CA C 5 53.630 53.630 51.448 2.182 25137 8360 1 13 . 1 1 5 5 MET CB C 5 33.140 33.140 33.540 -0.400 25137 8361 1 13 . 1 1 5 5 MET H H 5 8.210 8.210 7.732 0.478 25137 8362 1 13 . 1 1 6 6 PRO HA H 6 4.505 4.505 4.559 -0.054 25137 8363 1 13 . 1 1 6 6 PRO C C 6 174.520 174.520 175.742 -1.222 25137 8364 1 13 . 1 1 6 6 PRO CA C 6 62.980 62.980 62.114 0.866 25137 8365 1 13 . 1 1 6 6 PRO CB C 6 32.400 32.400 32.269 0.131 25137 8366 1 13 . 1 1 7 7 LYS N N 7 123.443 123.443 125.278 -1.835 25137 8367 1 13 . 1 1 7 7 LYS HA H 7 5.000 5.000 4.611 0.389 25137 8368 1 13 . 1 1 7 7 LYS C C 7 175.920 175.920 176.175 -0.255 25137 8369 1 13 . 1 1 7 7 LYS CA C 7 54.911 54.911 55.358 -0.447 25137 8370 1 13 . 1 1 7 7 LYS CB C 7 33.635 33.635 32.430 1.205 25137 8371 1 13 . 1 1 7 7 LYS H H 7 9.675 9.675 9.167 0.508 25137 8372 1 13 . 1 1 8 8 VAL N N 8 125.859 125.859 127.961 -2.102 25137 8373 1 13 . 1 1 8 8 VAL HA H 8 4.723 4.723 4.807 -0.084 25137 8374 1 13 . 1 1 8 8 VAL C C 8 174.630 174.630 173.978 0.652 25137 8375 1 13 . 1 1 8 8 VAL CA C 8 59.726 59.726 60.942 -1.216 25137 8376 1 13 . 1 1 8 8 VAL CB C 8 34.991 34.991 33.116 1.875 25137 8377 1 13 . 1 1 8 8 VAL H H 8 8.851 8.851 9.089 -0.238 25137 8378 1 13 . 1 1 9 9 LEU N N 9 127.114 127.114 130.111 -2.997 25137 8379 1 13 . 1 1 9 9 LEU HA H 9 5.190 5.190 4.890 0.300 25137 8380 1 13 . 1 1 9 9 LEU C C 9 174.090 174.090 174.548 -0.458 25137 8381 1 13 . 1 1 9 9 LEU CA C 9 53.090 53.090 53.280 -0.190 25137 8382 1 13 . 1 1 9 9 LEU CB C 9 45.007 45.007 44.362 0.645 25137 8383 1 13 . 1 1 9 9 LEU H H 9 7.881 7.881 8.773 -0.892 25137 8384 1 13 . 1 1 10 10 VAL N N 10 128.024 128.024 127.750 0.274 25137 8385 1 13 . 1 1 10 10 VAL HA H 10 4.647 4.647 4.621 0.026 25137 8386 1 13 . 1 1 10 10 VAL C C 10 172.900 172.900 174.016 -1.116 25137 8387 1 13 . 1 1 10 10 VAL CA C 10 61.206 61.206 61.158 0.048 25137 8388 1 13 . 1 1 10 10 VAL CB C 10 34.541 34.541 33.032 1.508 25137 8389 1 13 . 1 1 10 10 VAL H H 10 8.952 8.952 9.233 -0.281 25137 8390 1 13 . 1 1 11 11 LEU N N 11 128.979 128.979 129.648 -0.669 25137 8391 1 13 . 1 1 11 11 LEU HA H 11 5.504 5.504 5.328 0.176 25137 8392 1 13 . 1 1 11 11 LEU C C 11 174.450 174.450 175.421 -0.971 25137 8393 1 13 . 1 1 11 11 LEU CA C 11 52.328 52.328 52.922 -0.594 25137 8394 1 13 . 1 1 11 11 LEU CB C 11 45.000 45.000 41.620 3.380 25137 8395 1 13 . 1 1 11 11 LEU H H 11 8.433 8.433 9.191 -0.758 25137 8396 1 13 . 1 1 12 12 GLU N N 12 128.158 128.158 124.389 3.769 25137 8397 1 13 . 1 1 12 12 GLU HA H 12 4.294 4.294 4.537 -0.243 25137 8398 1 13 . 1 1 12 12 GLU C C 12 173.120 173.120 174.597 -1.477 25137 8399 1 13 . 1 1 12 12 GLU CA C 12 56.964 56.964 56.087 0.877 25137 8400 1 13 . 1 1 12 12 GLU CB C 12 32.201 32.201 32.776 -0.575 25137 8401 1 13 . 1 1 12 12 GLU H H 12 8.532 8.532 8.887 -0.355 25137 8402 1 13 . 1 1 13 13 ASP N N 13 123.077 123.077 126.127 -3.050 25137 8403 1 13 . 1 1 13 13 ASP HA H 13 4.659 4.659 4.567 0.092 25137 8404 1 13 . 1 1 13 13 ASP C C 13 176.090 176.090 176.597 -0.507 25137 8405 1 13 . 1 1 13 13 ASP CA C 13 55.140 55.140 55.651 -0.511 25137 8406 1 13 . 1 1 13 13 ASP CB C 13 40.524 40.524 41.629 -1.105 25137 8407 1 13 . 1 1 13 13 ASP H H 13 8.803 8.803 8.668 0.135 25137 8408 1 13 . 1 1 14 14 GLU N N 14 126.685 126.685 120.949 5.736 25137 8409 1 13 . 1 1 14 14 GLU HA H 14 4.809 4.809 4.554 0.255 25137 8410 1 13 . 1 1 14 14 GLU CA C 14 54.574 54.574 54.560 0.014 25137 8411 1 13 . 1 1 14 14 GLU CB C 14 29.310 29.310 29.517 -0.207 25137 8412 1 13 . 1 1 14 14 GLU H H 14 10.077 10.077 8.433 1.644 25137 8413 1 13 . 1 1 15 15 PRO HA H 15 4.273 4.273 4.186 0.087 25137 8414 1 13 . 1 1 15 15 PRO C C 15 179.110 179.110 177.926 1.184 25137 8415 1 13 . 1 1 15 15 PRO CA C 15 65.472 65.472 65.332 0.140 25137 8416 1 13 . 1 1 15 15 PRO CB C 15 32.462 32.462 31.854 0.608 25137 8417 1 13 . 1 1 16 16 LEU N N 16 118.358 118.358 119.237 -0.879 25137 8418 1 13 . 1 1 16 16 LEU HA H 16 4.131 4.131 4.151 -0.020 25137 8419 1 13 . 1 1 16 16 LEU C C 16 179.260 179.260 178.766 0.494 25137 8420 1 13 . 1 1 16 16 LEU CA C 16 58.306 58.306 58.289 0.017 25137 8421 1 13 . 1 1 16 16 LEU CB C 16 41.731 41.731 41.123 0.608 25137 8422 1 13 . 1 1 16 16 LEU H H 16 8.851 8.851 8.164 0.687 25137 8423 1 13 . 1 1 17 17 ILE N N 17 117.680 117.680 119.928 -2.248 25137 8424 1 13 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.656 0.176 25137 8425 1 13 . 1 1 17 17 ILE C C 17 178.230 178.230 177.843 0.387 25137 8426 1 13 . 1 1 17 17 ILE CA C 17 63.344 63.344 64.742 -1.398 25137 8427 1 13 . 1 1 17 17 ILE CB C 17 36.564 36.564 37.209 -0.645 25137 8428 1 13 . 1 1 17 17 ILE H H 17 6.886 6.886 8.035 -1.149 25137 8429 1 13 . 1 1 18 18 ALA N N 18 122.321 122.321 123.214 -0.893 25137 8430 1 13 . 1 1 18 18 ALA HA H 18 3.720 3.720 3.879 -0.159 25137 8431 1 13 . 1 1 18 18 ALA C C 18 178.900 178.900 179.295 -0.395 25137 8432 1 13 . 1 1 18 18 ALA CA C 18 55.890 55.890 55.489 0.401 25137 8433 1 13 . 1 1 18 18 ALA CB C 18 18.165 18.165 18.242 -0.077 25137 8434 1 13 . 1 1 18 18 ALA H H 18 7.988 7.988 8.606 -0.618 25137 8435 1 13 . 1 1 19 19 MET N N 19 115.807 115.807 118.814 -3.007 25137 8436 1 13 . 1 1 19 19 MET HA H 19 3.999 3.999 3.901 0.098 25137 8437 1 13 . 1 1 19 19 MET C C 19 177.180 177.180 178.042 -0.862 25137 8438 1 13 . 1 1 19 19 MET CA C 19 58.144 58.144 58.937 -0.793 25137 8439 1 13 . 1 1 19 19 MET CB C 19 32.852 32.852 32.720 0.132 25137 8440 1 13 . 1 1 19 19 MET H H 19 8.204 8.204 8.511 -0.307 25137 8441 1 13 . 1 1 20 20 ASN N N 20 117.843 117.843 118.975 -1.132 25137 8442 1 13 . 1 1 20 20 ASN HA H 20 4.545 4.545 4.639 -0.094 25137 8443 1 13 . 1 1 20 20 ASN C C 20 179.590 179.590 178.266 1.324 25137 8444 1 13 . 1 1 20 20 ASN CA C 20 56.222 56.222 56.333 -0.111 25137 8445 1 13 . 1 1 20 20 ASN CB C 20 38.005 38.005 38.344 -0.339 25137 8446 1 13 . 1 1 20 20 ASN H H 20 7.839 7.839 8.366 -0.527 25137 8447 1 13 . 1 1 21 21 LEU N N 21 121.749 121.749 121.563 0.186 25137 8448 1 13 . 1 1 21 21 LEU HA H 21 4.055 4.055 4.011 0.044 25137 8449 1 13 . 1 1 21 21 LEU C C 21 177.750 177.750 178.633 -0.883 25137 8450 1 13 . 1 1 21 21 LEU CA C 21 58.268 58.268 58.406 -0.138 25137 8451 1 13 . 1 1 21 21 LEU CB C 21 42.605 42.605 41.890 0.715 25137 8452 1 13 . 1 1 21 21 LEU H H 21 8.601 8.601 8.659 -0.058 25137 8453 1 13 . 1 1 22 22 GLN N N 22 120.991 120.991 119.518 1.473 25137 8454 1 13 . 1 1 22 22 GLN HA H 22 3.935 3.935 3.993 -0.058 25137 8455 1 13 . 1 1 22 22 GLN C C 22 178.070 178.070 178.556 -0.486 25137 8456 1 13 . 1 1 22 22 GLN CA C 22 60.463 60.463 59.461 1.002 25137 8457 1 13 . 1 1 22 22 GLN CB C 22 26.902 26.902 28.542 -1.640 25137 8458 1 13 . 1 1 22 22 GLN H H 22 8.749 8.749 8.224 0.525 25137 8459 1 13 . 1 1 23 23 TYR N N 23 117.446 117.446 118.424 -0.978 25137 8460 1 13 . 1 1 23 23 TYR HA H 23 4.517 4.517 4.469 0.048 25137 8461 1 13 . 1 1 23 23 TYR C C 23 178.210 178.210 178.424 -0.214 25137 8462 1 13 . 1 1 23 23 TYR CA C 23 59.425 59.425 59.521 -0.096 25137 8463 1 13 . 1 1 23 23 TYR CB C 23 36.975 36.975 37.684 -0.709 25137 8464 1 13 . 1 1 23 23 TYR H H 23 8.450 8.450 8.394 0.056 25137 8465 1 13 . 1 1 24 24 ALA N N 24 121.627 121.627 122.943 -1.316 25137 8466 1 13 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.026 0.074 25137 8467 1 13 . 1 1 24 24 ALA C C 24 180.910 180.910 179.222 1.688 25137 8468 1 13 . 1 1 24 24 ALA CA C 24 55.060 55.060 54.833 0.227 25137 8469 1 13 . 1 1 24 24 ALA CB C 24 18.070 18.070 18.034 0.036 25137 8470 1 13 . 1 1 24 24 ALA H H 24 7.765 7.765 7.828 -0.063 25137 8471 1 13 . 1 1 25 25 PHE N N 25 115.589 115.589 117.743 -2.154 25137 8472 1 13 . 1 1 25 25 PHE HA H 25 3.940 3.940 4.143 -0.203 25137 8473 1 13 . 1 1 25 25 PHE C C 25 179.090 179.090 178.473 0.617 25137 8474 1 13 . 1 1 25 25 PHE CA C 25 63.453 63.453 62.303 1.151 25137 8475 1 13 . 1 1 25 25 PHE CB C 25 39.484 39.484 38.957 0.527 25137 8476 1 13 . 1 1 25 25 PHE H H 25 8.348 8.348 8.449 -0.101 25137 8477 1 13 . 1 1 26 26 GLU N N 26 121.198 121.198 118.707 2.491 25137 8478 1 13 . 1 1 26 26 GLU HA H 26 4.429 4.429 4.386 0.043 25137 8479 1 13 . 1 1 26 26 GLU C C 26 181.680 181.680 178.558 3.122 25137 8480 1 13 . 1 1 26 26 GLU CA C 26 59.737 59.737 58.579 1.158 25137 8481 1 13 . 1 1 26 26 GLU CB C 26 28.925 28.925 29.474 -0.550 25137 8482 1 13 . 1 1 26 26 GLU H H 26 8.822 8.822 8.473 0.349 25137 8483 1 13 . 1 1 27 27 ASP N N 27 121.846 121.846 119.034 2.812 25137 8484 1 13 . 1 1 27 27 ASP HA H 27 4.468 4.468 4.486 -0.018 25137 8485 1 13 . 1 1 27 27 ASP C C 27 177.880 177.880 177.859 0.021 25137 8486 1 13 . 1 1 27 27 ASP CA C 27 56.996 56.996 56.532 0.464 25137 8487 1 13 . 1 1 27 27 ASP CB C 27 40.640 40.640 41.026 -0.386 25137 8488 1 13 . 1 1 27 27 ASP H H 27 8.424 8.424 7.906 0.518 25137 8489 1 13 . 1 1 28 28 GLU N N 28 115.759 115.759 117.657 -1.898 25137 8490 1 13 . 1 1 28 28 GLU HA H 28 4.331 4.331 4.384 -0.053 25137 8491 1 13 . 1 1 28 28 GLU C C 28 176.460 176.460 176.535 -0.075 25137 8492 1 13 . 1 1 28 28 GLU CA C 28 55.395 55.395 56.124 -0.729 25137 8493 1 13 . 1 1 28 28 GLU CB C 28 30.264 30.264 29.703 0.560 25137 8494 1 13 . 1 1 28 28 GLU H H 28 7.170 7.170 7.605 -0.435 25137 8495 1 13 . 1 1 29 29 GLY N N 29 106.899 106.899 108.384 -1.485 25137 8496 1 13 . 1 1 29 29 GLY C C 29 173.160 173.160 173.011 0.149 25137 8497 1 13 . 1 1 29 29 GLY CA C 29 45.589 45.589 45.160 0.429 25137 8498 1 13 . 1 1 29 29 GLY H H 29 7.889 7.889 7.591 0.298 25137 8499 1 13 . 1 1 30 30 ALA N N 30 121.007 121.007 122.178 -1.171 25137 8500 1 13 . 1 1 30 30 ALA HA H 30 4.680 4.680 5.110 -0.430 25137 8501 1 13 . 1 1 30 30 ALA C C 30 175.880 175.880 175.140 0.740 25137 8502 1 13 . 1 1 30 30 ALA CA C 30 50.666 50.666 51.005 -0.339 25137 8503 1 13 . 1 1 30 30 ALA CB C 30 21.882 21.882 22.241 -0.359 25137 8504 1 13 . 1 1 30 30 ALA H H 30 7.743 7.743 7.582 0.161 25137 8505 1 13 . 1 1 31 31 GLU N N 31 120.065 120.065 119.312 0.753 25137 8506 1 13 . 1 1 31 31 GLU HA H 31 4.664 4.664 4.810 -0.146 25137 8507 1 13 . 1 1 31 31 GLU C C 31 175.430 175.430 174.654 0.776 25137 8508 1 13 . 1 1 31 31 GLU CA C 31 55.136 55.136 54.828 0.308 25137 8509 1 13 . 1 1 31 31 GLU CB C 31 32.126 32.126 32.651 -0.525 25137 8510 1 13 . 1 1 31 31 GLU H H 31 8.595 8.595 8.303 0.292 25137 8511 1 13 . 1 1 32 32 VAL N N 32 123.414 123.414 123.908 -0.494 25137 8512 1 13 . 1 1 32 32 VAL HA H 32 4.787 4.787 4.976 -0.189 25137 8513 1 13 . 1 1 32 32 VAL C C 32 175.290 175.290 175.604 -0.314 25137 8514 1 13 . 1 1 32 32 VAL CA C 32 60.802 60.802 60.294 0.508 25137 8515 1 13 . 1 1 32 32 VAL CB C 32 34.991 34.991 34.400 0.591 25137 8516 1 13 . 1 1 32 32 VAL H H 32 8.872 8.872 8.436 0.436 25137 8517 1 13 . 1 1 33 33 VAL N N 33 128.158 128.158 127.061 1.097 25137 8518 1 13 . 1 1 33 33 VAL HA H 33 4.226 4.226 4.354 -0.128 25137 8519 1 13 . 1 1 33 33 VAL C C 33 173.830 173.830 174.559 -0.729 25137 8520 1 13 . 1 1 33 33 VAL CA C 33 60.990 60.990 61.062 -0.072 25137 8521 1 13 . 1 1 33 33 VAL CB C 33 33.736 33.736 34.009 -0.273 25137 8522 1 13 . 1 1 33 33 VAL H H 33 9.042 9.042 9.080 -0.038 25137 8523 1 13 . 1 1 34 34 VAL N N 34 126.239 126.239 127.701 -1.462 25137 8524 1 13 . 1 1 34 34 VAL HA H 34 4.751 4.751 4.217 0.534 25137 8525 1 13 . 1 1 34 34 VAL C C 34 175.100 175.100 175.163 -0.063 25137 8526 1 13 . 1 1 34 34 VAL CA C 34 61.389 61.389 61.770 -0.381 25137 8527 1 13 . 1 1 34 34 VAL CB C 34 33.193 33.193 32.178 1.015 25137 8528 1 13 . 1 1 34 34 VAL H H 34 8.522 8.522 8.572 -0.050 25137 8529 1 13 . 1 1 35 35 ALA N N 35 129.955 129.955 129.747 0.208 25137 8530 1 13 . 1 1 35 35 ALA HA H 35 4.682 4.682 5.009 -0.327 25137 8531 1 13 . 1 1 35 35 ALA C C 35 174.380 174.380 175.946 -1.566 25137 8532 1 13 . 1 1 35 35 ALA CA C 35 50.154 50.154 50.419 -0.265 25137 8533 1 13 . 1 1 35 35 ALA CB C 35 22.922 22.922 22.419 0.503 25137 8534 1 13 . 1 1 35 35 ALA H H 35 9.388 9.388 8.834 0.554 25137 8535 1 13 . 1 1 36 36 ALA N N 36 121.011 121.011 123.377 -2.366 25137 8536 1 13 . 1 1 36 36 ALA HA H 36 4.632 4.632 4.626 0.006 25137 8537 1 13 . 1 1 36 36 ALA C C 36 176.490 176.490 176.425 0.065 25137 8538 1 13 . 1 1 36 36 ALA CA C 36 51.778 51.778 52.832 -1.054 25137 8539 1 13 . 1 1 36 36 ALA CB C 36 21.506 21.506 19.474 2.032 25137 8540 1 13 . 1 1 36 36 ALA H H 36 8.539 8.539 8.558 -0.019 25137 8541 1 13 . 1 1 37 37 THR N N 37 102.880 102.880 106.214 -3.334 25137 8542 1 13 . 1 1 37 37 THR HA H 37 4.620 4.620 4.475 0.145 25137 8543 1 13 . 1 1 37 37 THR C C 37 174.710 174.710 175.353 -0.643 25137 8544 1 13 . 1 1 37 37 THR CA C 37 57.520 57.520 59.956 -2.437 25137 8545 1 13 . 1 1 37 37 THR CB C 37 72.972 72.972 72.088 0.884 25137 8546 1 13 . 1 1 37 37 THR H H 37 7.019 7.019 7.164 -0.145 25137 8547 1 13 . 1 1 38 38 CYS N N 38 120.553 120.553 120.804 -0.251 25137 8548 1 13 . 1 1 38 38 CYS HA H 38 3.677 3.677 4.072 -0.395 25137 8549 1 13 . 1 1 38 38 CYS C C 38 176.020 176.020 176.964 -0.944 25137 8550 1 13 . 1 1 38 38 CYS CA C 38 63.179 63.179 63.842 -0.663 25137 8551 1 13 . 1 1 38 38 CYS CB C 38 26.317 26.317 27.587 -1.270 25137 8552 1 13 . 1 1 38 38 CYS H H 38 9.398 9.398 8.873 0.525 25137 8553 1 13 . 1 1 39 39 GLU N N 39 118.521 118.521 120.090 -1.569 25137 8554 1 13 . 1 1 39 39 GLU HA H 39 3.829 3.829 3.932 -0.103 25137 8555 1 13 . 1 1 39 39 GLU C C 39 179.470 179.470 179.165 0.305 25137 8556 1 13 . 1 1 39 39 GLU CA C 39 60.594 60.594 59.796 0.798 25137 8557 1 13 . 1 1 39 39 GLU CB C 39 28.963 28.963 29.235 -0.272 25137 8558 1 13 . 1 1 39 39 GLU H H 39 8.960 8.960 8.631 0.329 25137 8559 1 13 . 1 1 40 40 GLN N N 40 118.602 118.602 118.806 -0.204 25137 8560 1 13 . 1 1 40 40 GLN HA H 40 4.021 4.021 3.991 0.030 25137 8561 1 13 . 1 1 40 40 GLN C C 40 176.211 176.211 178.402 -2.191 25137 8562 1 13 . 1 1 40 40 GLN CA C 40 58.306 58.306 58.639 -0.333 25137 8563 1 13 . 1 1 40 40 GLN CB C 40 28.925 28.925 28.587 0.338 25137 8564 1 13 . 1 1 40 40 GLN H H 40 7.855 7.855 7.918 -0.063 25137 8565 1 13 . 1 1 41 41 ALA N N 41 122.395 122.395 123.162 -0.767 25137 8566 1 13 . 1 1 41 41 ALA HA H 41 3.735 3.735 3.954 -0.219 25137 8567 1 13 . 1 1 41 41 ALA C C 41 178.440 178.440 179.492 -1.052 25137 8568 1 13 . 1 1 41 41 ALA CA C 41 55.178 55.178 55.292 -0.114 25137 8569 1 13 . 1 1 41 41 ALA CB C 41 19.872 19.872 18.415 1.457 25137 8570 1 13 . 1 1 41 41 ALA H H 41 8.009 8.009 7.756 0.253 25137 8571 1 13 . 1 1 42 42 LEU N N 42 116.832 116.832 118.501 -1.669 25137 8572 1 13 . 1 1 42 42 LEU HA H 42 3.875 3.875 3.840 0.035 25137 8573 1 13 . 1 1 42 42 LEU C C 42 180.080 180.080 179.124 0.956 25137 8574 1 13 . 1 1 42 42 LEU CA C 42 58.011 58.011 57.626 0.385 25137 8575 1 13 . 1 1 42 42 LEU CB C 42 40.961 40.961 41.235 -0.274 25137 8576 1 13 . 1 1 42 42 LEU H H 42 8.497 8.497 8.532 -0.035 25137 8577 1 13 . 1 1 43 43 LYS N N 43 121.087 121.087 120.210 0.877 25137 8578 1 13 . 1 1 43 43 LYS HA H 43 4.065 4.065 3.887 0.178 25137 8579 1 13 . 1 1 43 43 LYS C C 43 178.500 178.500 178.888 -0.388 25137 8580 1 13 . 1 1 43 43 LYS CA C 43 59.256 59.256 59.910 -0.654 25137 8581 1 13 . 1 1 43 43 LYS CB C 43 32.295 32.295 32.243 0.052 25137 8582 1 13 . 1 1 43 43 LYS H H 43 7.593 7.593 7.978 -0.385 25137 8583 1 13 . 1 1 44 44 SER N N 44 115.150 115.150 115.460 -0.310 25137 8584 1 13 . 1 1 44 44 SER HA H 44 4.130 4.130 4.229 -0.099 25137 8585 1 13 . 1 1 44 44 SER C C 44 176.430 176.430 176.629 -0.199 25137 8586 1 13 . 1 1 44 44 SER CA C 44 62.900 62.900 61.466 1.434 25137 8587 1 13 . 1 1 44 44 SER CB C 44 62.900 62.900 63.006 -0.106 25137 8588 1 13 . 1 1 44 44 SER H H 44 8.100 8.100 7.828 0.272 25137 8589 1 13 . 1 1 45 45 LEU N N 45 120.050 120.050 122.543 -2.493 25137 8590 1 13 . 1 1 45 45 LEU HA H 45 4.121 4.121 3.990 0.131 25137 8591 1 13 . 1 1 45 45 LEU C C 45 177.260 177.260 177.908 -0.648 25137 8592 1 13 . 1 1 45 45 LEU CA C 45 56.770 56.770 57.629 -0.859 25137 8593 1 13 . 1 1 45 45 LEU CB C 45 42.389 42.389 41.213 1.176 25137 8594 1 13 . 1 1 45 45 LEU H H 45 8.050 8.050 8.410 -0.360 25137 8595 1 13 . 1 1 46 46 ALA N N 46 119.940 119.940 118.986 0.954 25137 8596 1 13 . 1 1 46 46 ALA HA H 46 4.093 4.093 4.083 0.010 25137 8597 1 13 . 1 1 46 46 ALA C C 46 179.310 179.310 179.804 -0.494 25137 8598 1 13 . 1 1 46 46 ALA CA C 46 54.126 54.126 54.319 -0.193 25137 8599 1 13 . 1 1 46 46 ALA CB C 46 18.412 18.412 18.713 -0.301 25137 8600 1 13 . 1 1 46 46 ALA H H 46 7.360 7.360 7.644 -0.284 25137 8601 1 13 . 1 1 47 47 ASP N N 47 115.277 115.277 118.908 -3.631 25137 8602 1 13 . 1 1 47 47 ASP HA H 47 4.610 4.610 4.565 0.045 25137 8603 1 13 . 1 1 47 47 ASP C C 47 175.930 175.930 176.838 -0.908 25137 8604 1 13 . 1 1 47 47 ASP CA C 47 55.087 55.087 55.914 -0.827 25137 8605 1 13 . 1 1 47 47 ASP CB C 47 42.364 42.364 41.766 0.598 25137 8606 1 13 . 1 1 47 47 ASP H H 47 7.583 7.583 8.082 -0.499 25137 8607 1 13 . 1 1 48 48 ASN N N 48 116.977 116.977 116.587 0.390 25137 8608 1 13 . 1 1 48 48 ASN HA H 48 5.219 5.219 5.136 0.083 25137 8609 1 13 . 1 1 48 48 ASN CA C 48 51.096 51.096 51.065 0.031 25137 8610 1 13 . 1 1 48 48 ASN CB C 48 42.381 42.381 39.964 2.417 25137 8611 1 13 . 1 1 48 48 ASN H H 48 7.727 7.727 8.375 -0.648 25137 8612 1 13 . 1 1 49 49 PRO HA H 49 4.551 4.551 4.641 -0.090 25137 8613 1 13 . 1 1 49 49 PRO C C 49 174.890 174.890 175.451 -0.561 25137 8614 1 13 . 1 1 49 49 PRO CA C 49 62.093 62.093 62.081 0.012 25137 8615 1 13 . 1 1 49 49 PRO CB C 49 29.940 29.940 30.652 -0.712 25137 8616 1 13 . 1 1 50 50 ILE N N 50 122.280 122.280 123.134 -0.854 25137 8617 1 13 . 1 1 50 50 ILE HA H 50 3.908 3.908 3.853 0.055 25137 8618 1 13 . 1 1 50 50 ILE C C 50 174.840 174.840 175.804 -0.964 25137 8619 1 13 . 1 1 50 50 ILE CA C 50 58.580 58.580 61.390 -2.810 25137 8620 1 13 . 1 1 50 50 ILE CB C 50 38.850 38.850 36.571 2.279 25137 8621 1 13 . 1 1 50 50 ILE H H 50 7.420 7.420 7.710 -0.290 25137 8622 1 13 . 1 1 51 51 ASP N N 51 123.770 123.770 127.160 -3.390 25137 8623 1 13 . 1 1 51 51 ASP HA H 51 4.749 4.749 4.627 0.122 25137 8624 1 13 . 1 1 51 51 ASP C C 51 175.114 175.114 176.097 -0.983 25137 8625 1 13 . 1 1 51 51 ASP CA C 51 56.930 56.930 55.992 0.938 25137 8626 1 13 . 1 1 51 51 ASP CB C 51 44.360 44.360 43.451 0.909 25137 8627 1 13 . 1 1 51 51 ASP H H 51 9.310 9.310 8.611 0.699 25137 8628 1 13 . 1 1 52 52 VAL N N 52 114.454 114.454 117.432 -2.978 25137 8629 1 13 . 1 1 52 52 VAL HA H 52 4.874 4.874 5.173 -0.299 25137 8630 1 13 . 1 1 52 52 VAL C C 52 171.129 171.129 172.832 -1.703 25137 8631 1 13 . 1 1 52 52 VAL CA C 52 59.850 59.850 60.028 -0.178 25137 8632 1 13 . 1 1 52 52 VAL CB C 52 32.980 32.980 35.470 -2.490 25137 8633 1 13 . 1 1 52 52 VAL H H 52 7.580 7.580 7.832 -0.252 25137 8634 1 13 . 1 1 53 53 ALA N N 53 124.620 124.620 125.722 -1.102 25137 8635 1 13 . 1 1 53 53 ALA HA H 53 5.665 5.665 5.339 0.326 25137 8636 1 13 . 1 1 53 53 ALA C C 53 175.100 175.100 174.973 0.127 25137 8637 1 13 . 1 1 53 53 ALA CA C 53 49.810 49.810 50.342 -0.532 25137 8638 1 13 . 1 1 53 53 ALA CB C 53 25.750 25.750 22.937 2.813 25137 8639 1 13 . 1 1 53 53 ALA H H 53 7.780 7.780 8.400 -0.620 25137 8640 1 13 . 1 1 54 54 VAL N N 54 118.950 118.950 117.382 1.568 25137 8641 1 13 . 1 1 54 54 VAL HA H 54 4.647 4.647 5.198 -0.551 25137 8642 1 13 . 1 1 54 54 VAL C C 54 174.020 174.020 174.339 -0.319 25137 8643 1 13 . 1 1 54 54 VAL CA C 54 61.580 61.580 60.776 0.804 25137 8644 1 13 . 1 1 54 54 VAL CB C 54 34.320 34.320 33.509 0.811 25137 8645 1 13 . 1 1 54 54 VAL H H 54 8.730 8.730 9.020 -0.290 25137 8646 1 13 . 1 1 55 55 LEU N N 55 124.820 124.820 128.584 -3.764 25137 8647 1 13 . 1 1 55 55 LEU HA H 55 4.953 4.953 4.715 0.238 25137 8648 1 13 . 1 1 55 55 LEU C C 55 176.110 176.110 175.530 0.580 25137 8649 1 13 . 1 1 55 55 LEU CA C 55 53.540 53.540 54.038 -0.498 25137 8650 1 13 . 1 1 55 55 LEU CB C 55 42.690 42.690 43.782 -1.092 25137 8651 1 13 . 1 1 55 55 LEU H H 55 9.240 9.240 9.266 -0.026 25137 8652 1 13 . 1 1 56 56 ASP N N 56 124.220 124.220 124.550 -0.330 25137 8653 1 13 . 1 1 56 56 ASP HA H 56 5.629 5.629 4.912 0.717 25137 8654 1 13 . 1 1 56 56 ASP C C 56 174.460 174.460 176.575 -2.115 25137 8655 1 13 . 1 1 56 56 ASP CA C 56 52.930 52.930 53.632 -0.702 25137 8656 1 13 . 1 1 56 56 ASP CB C 56 43.400 43.400 42.578 0.822 25137 8657 1 13 . 1 1 56 56 ASP H H 56 8.360 8.360 8.625 -0.265 25137 8658 1 13 . 1 1 57 57 VAL N N 57 119.581 119.581 123.563 -3.982 25137 8659 1 13 . 1 1 57 57 VAL HA H 57 4.239 4.239 3.858 0.381 25137 8660 1 13 . 1 1 57 57 VAL C C 57 175.480 175.480 175.721 -0.241 25137 8661 1 13 . 1 1 57 57 VAL CA C 57 64.564 64.564 63.624 0.940 25137 8662 1 13 . 1 1 57 57 VAL CB C 57 32.520 32.520 32.332 0.188 25137 8663 1 13 . 1 1 57 57 VAL H H 57 7.022 7.022 8.439 -1.417 25137 8664 1 13 . 1 1 58 58 ASN N N 58 114.490 114.490 116.647 -2.157 25137 8665 1 13 . 1 1 58 58 ASN HA H 58 4.693 4.693 4.689 0.004 25137 8666 1 13 . 1 1 58 58 ASN C C 58 173.400 173.400 175.460 -2.060 25137 8667 1 13 . 1 1 58 58 ASN CA C 58 53.570 53.570 52.107 1.463 25137 8668 1 13 . 1 1 58 58 ASN CB C 58 38.820 38.820 37.297 1.522 25137 8669 1 13 . 1 1 58 58 ASN H H 58 8.600 8.600 7.833 0.767 25137 8670 1 13 . 1 1 59 59 LEU N N 59 130.670 130.670 119.315 11.355 25137 8671 1 13 . 1 1 59 59 LEU HA H 59 4.647 4.647 4.165 0.482 25137 8672 1 13 . 1 1 59 59 LEU C C 59 175.340 175.340 177.650 -2.310 25137 8673 1 13 . 1 1 59 59 LEU CA C 59 53.550 53.550 56.473 -2.923 25137 8674 1 13 . 1 1 59 59 LEU CB C 59 41.430 41.430 42.281 -0.851 25137 8675 1 13 . 1 1 59 59 LEU H H 59 8.260 8.260 7.739 0.521 25137 8676 1 13 . 1 1 60 60 GLY N N 60 109.030 109.030 103.195 5.835 25137 8677 1 13 . 1 1 60 60 GLY CA C 60 44.610 44.610 45.037 -0.427 25137 8678 1 13 . 1 1 60 60 GLY H H 60 7.860 7.860 7.742 0.118 25137 8679 1 13 . 1 1 61 61 PRO HA H 61 4.385 4.385 4.285 0.100 25137 8680 1 13 . 1 1 61 61 PRO C C 61 177.960 177.960 177.705 0.255 25137 8681 1 13 . 1 1 61 61 PRO CA C 61 64.888 64.888 65.121 -0.233 25137 8682 1 13 . 1 1 61 61 PRO CB C 61 32.070 32.070 32.439 -0.369 25137 8683 1 13 . 1 1 62 62 LYS N N 62 115.984 115.984 114.638 1.346 25137 8684 1 13 . 1 1 62 62 LYS HA H 62 4.524 4.524 4.569 -0.045 25137 8685 1 13 . 1 1 62 62 LYS C C 62 175.810 175.810 175.752 0.058 25137 8686 1 13 . 1 1 62 62 LYS CA C 62 55.444 55.444 56.220 -0.776 25137 8687 1 13 . 1 1 62 62 LYS CB C 62 33.216 33.216 33.981 -0.765 25137 8688 1 13 . 1 1 62 62 LYS H H 62 8.625 8.625 8.034 0.591 25137 8689 1 13 . 1 1 63 63 SER N N 63 113.432 113.432 117.115 -3.683 25137 8690 1 13 . 1 1 63 63 SER HA H 63 4.609 4.609 4.307 0.302 25137 8691 1 13 . 1 1 63 63 SER C C 63 172.560 172.560 173.118 -0.558 25137 8692 1 13 . 1 1 63 63 SER CA C 63 57.715 57.715 58.647 -0.932 25137 8693 1 13 . 1 1 63 63 SER CB C 63 64.866 64.866 63.473 1.393 25137 8694 1 13 . 1 1 63 63 SER H H 63 7.389 7.389 7.784 -0.395 25137 8695 1 13 . 1 1 64 64 HIS N N 64 122.580 122.580 117.718 4.862 25137 8696 1 13 . 1 1 64 64 HIS HA H 64 5.833 5.833 5.359 0.474 25137 8697 1 13 . 1 1 64 64 HIS C C 64 176.210 176.210 175.581 0.629 25137 8698 1 13 . 1 1 64 64 HIS CA C 64 54.006 54.006 53.864 0.142 25137 8699 1 13 . 1 1 64 64 HIS CB C 64 34.092 34.092 32.999 1.093 25137 8700 1 13 . 1 1 64 64 HIS H H 64 7.762 7.762 7.770 -0.008 25137 8701 1 13 . 1 1 65 65 CYS N N 65 111.478 111.478 121.633 -10.155 25137 8702 1 13 . 1 1 65 65 CYS HA H 65 4.342 4.342 4.543 -0.201 25137 8703 1 13 . 1 1 65 65 CYS C C 65 175.881 175.881 174.917 0.964 25137 8704 1 13 . 1 1 65 65 CYS CA C 65 57.980 57.980 58.290 -0.310 25137 8705 1 13 . 1 1 65 65 CYS CB C 65 29.790 29.790 26.388 3.402 25137 8706 1 13 . 1 1 65 65 CYS H H 65 7.946 7.946 8.292 -0.346 25137 8707 1 13 . 1 1 66 66 GLY N N 66 120.340 120.340 113.330 7.010 25137 8708 1 13 . 1 1 66 66 GLY CA C 66 48.880 48.880 46.040 2.840 25137 8709 1 13 . 1 1 66 66 GLY H H 66 11.290 11.290 8.231 3.059 25137 8710 1 13 . 1 1 67 67 PRO HA H 67 4.386 4.386 4.241 0.145 25137 8711 1 13 . 1 1 67 67 PRO C C 67 179.860 179.860 178.163 1.697 25137 8712 1 13 . 1 1 67 67 PRO CA C 67 65.388 65.388 65.662 -0.274 25137 8713 1 13 . 1 1 67 67 PRO CB C 67 32.970 32.970 31.523 1.446 25137 8714 1 13 . 1 1 68 68 VAL N N 68 116.564 116.564 116.810 -0.246 25137 8715 1 13 . 1 1 68 68 VAL HA H 68 3.494 3.494 3.586 -0.092 25137 8716 1 13 . 1 1 68 68 VAL C C 68 176.350 176.350 177.444 -1.094 25137 8717 1 13 . 1 1 68 68 VAL CA C 68 64.839 64.839 66.191 -1.352 25137 8718 1 13 . 1 1 68 68 VAL CB C 68 31.396 31.396 31.159 0.237 25137 8719 1 13 . 1 1 68 68 VAL H H 68 7.471 7.471 7.916 -0.445 25137 8720 1 13 . 1 1 69 69 ALA N N 69 122.825 122.825 123.129 -0.304 25137 8721 1 13 . 1 1 69 69 ALA HA H 69 3.085 3.085 3.353 -0.268 25137 8722 1 13 . 1 1 69 69 ALA C C 69 179.280 179.280 179.233 0.047 25137 8723 1 13 . 1 1 69 69 ALA CA C 69 55.209 55.209 55.247 -0.038 25137 8724 1 13 . 1 1 69 69 ALA CB C 69 18.141 18.141 18.013 0.128 25137 8725 1 13 . 1 1 69 69 ALA H H 69 7.880 7.880 7.586 0.294 25137 8726 1 13 . 1 1 70 70 ASP N N 70 116.269 116.269 118.979 -2.710 25137 8727 1 13 . 1 1 70 70 ASP HA H 70 4.314 4.314 4.285 0.029 25137 8728 1 13 . 1 1 70 70 ASP C C 70 178.300 178.300 178.410 -0.110 25137 8729 1 13 . 1 1 70 70 ASP CA C 70 57.530 57.530 57.779 -0.249 25137 8730 1 13 . 1 1 70 70 ASP CB C 70 40.582 40.582 40.610 -0.028 25137 8731 1 13 . 1 1 70 70 ASP H H 70 8.316 8.316 8.050 0.266 25137 8732 1 13 . 1 1 71 71 ALA N N 71 122.771 122.771 123.559 -0.788 25137 8733 1 13 . 1 1 71 71 ALA HA H 71 4.045 4.045 4.289 -0.244 25137 8734 1 13 . 1 1 71 71 ALA C C 71 180.700 180.700 179.954 0.746 25137 8735 1 13 . 1 1 71 71 ALA CA C 71 55.062 55.062 54.956 0.106 25137 8736 1 13 . 1 1 71 71 ALA CB C 71 18.675 18.675 18.534 0.141 25137 8737 1 13 . 1 1 71 71 ALA H H 71 7.156 7.156 7.932 -0.776 25137 8738 1 13 . 1 1 72 72 LEU N N 72 119.021 119.021 118.223 0.798 25137 8739 1 13 . 1 1 72 72 LEU HA H 72 3.824 3.824 3.774 0.050 25137 8740 1 13 . 1 1 72 72 LEU C C 72 179.560 179.560 179.347 0.213 25137 8741 1 13 . 1 1 72 72 LEU CA C 72 58.351 58.351 57.602 0.749 25137 8742 1 13 . 1 1 72 72 LEU CB C 72 40.437 40.437 41.296 -0.859 25137 8743 1 13 . 1 1 72 72 LEU H H 72 8.250 8.250 8.128 0.122 25137 8744 1 13 . 1 1 73 73 LYS N N 73 120.087 120.087 119.395 0.692 25137 8745 1 13 . 1 1 73 73 LYS HA H 73 4.431 4.431 4.090 0.341 25137 8746 1 13 . 1 1 73 73 LYS C C 73 181.310 181.310 180.002 1.308 25137 8747 1 13 . 1 1 73 73 LYS CA C 73 59.307 59.307 59.792 -0.485 25137 8748 1 13 . 1 1 73 73 LYS CB C 73 32.404 32.404 32.152 0.252 25137 8749 1 13 . 1 1 73 73 LYS H H 73 8.383 8.383 8.348 0.035 25137 8750 1 13 . 1 1 74 74 GLN N N 74 118.982 118.982 119.188 -0.206 25137 8751 1 13 . 1 1 74 74 GLN HA H 74 4.074 4.074 4.124 -0.050 25137 8752 1 13 . 1 1 74 74 GLN C C 74 177.620 177.620 177.595 0.025 25137 8753 1 13 . 1 1 74 74 GLN CA C 74 58.834 58.834 58.530 0.304 25137 8754 1 13 . 1 1 74 74 GLN CB C 74 28.505 28.505 28.707 -0.202 25137 8755 1 13 . 1 1 74 74 GLN H H 74 8.015 8.015 8.377 -0.362 25137 8756 1 13 . 1 1 75 75 ARG N N 75 116.770 116.770 116.068 0.702 25137 8757 1 13 . 1 1 75 75 ARG HA H 75 4.272 4.272 4.392 -0.120 25137 8758 1 13 . 1 1 75 75 ARG C C 75 174.310 174.310 175.040 -0.730 25137 8759 1 13 . 1 1 75 75 ARG CA C 75 55.950 55.950 55.370 0.580 25137 8760 1 13 . 1 1 75 75 ARG CB C 75 31.780 31.780 30.337 1.443 25137 8761 1 13 . 1 1 75 75 ARG H H 75 7.240 7.240 7.724 -0.484 25137 8762 1 13 . 1 1 76 76 ALA N N 76 122.020 122.020 120.486 1.534 25137 8763 1 13 . 1 1 76 76 ALA HA H 76 4.050 4.050 4.054 -0.004 25137 8764 1 13 . 1 1 76 76 ALA C C 76 176.240 176.240 176.918 -0.678 25137 8765 1 13 . 1 1 76 76 ALA CA C 76 53.170 53.170 52.633 0.537 25137 8766 1 13 . 1 1 76 76 ALA CB C 76 16.650 16.650 17.031 -0.381 25137 8767 1 13 . 1 1 76 76 ALA H H 76 8.065 8.065 7.366 0.699 25137 8768 1 13 . 1 1 77 77 ILE N N 77 122.300 122.300 119.945 2.355 25137 8769 1 13 . 1 1 77 77 ILE HA H 77 4.502 4.502 4.263 0.239 25137 8770 1 13 . 1 1 77 77 ILE CA C 77 58.610 58.610 59.092 -0.482 25137 8771 1 13 . 1 1 77 77 ILE CB C 77 40.000 40.000 38.405 1.595 25137 8772 1 13 . 1 1 77 77 ILE H H 77 8.080 8.080 8.098 -0.018 25137 8773 1 13 . 1 1 78 78 PRO HA H 78 4.454 4.454 4.575 -0.121 25137 8774 1 13 . 1 1 78 78 PRO C C 78 174.680 174.680 175.393 -0.713 25137 8775 1 13 . 1 1 78 78 PRO CA C 78 62.622 62.622 62.781 -0.159 25137 8776 1 13 . 1 1 78 78 PRO CB C 78 32.772 32.772 32.039 0.733 25137 8777 1 13 . 1 1 79 79 PHE N N 79 109.800 109.800 116.855 -7.055 25137 8778 1 13 . 1 1 79 79 PHE HA H 79 5.656 5.656 5.501 0.155 25137 8779 1 13 . 1 1 79 79 PHE C C 79 172.780 172.780 173.465 -0.685 25137 8780 1 13 . 1 1 79 79 PHE CA C 79 55.612 55.612 55.662 -0.050 25137 8781 1 13 . 1 1 79 79 PHE CB C 79 42.181 42.181 42.467 -0.286 25137 8782 1 13 . 1 1 79 79 PHE H H 79 7.463 7.463 7.879 -0.416 25137 8783 1 13 . 1 1 80 80 ILE N N 80 114.746 114.746 120.190 -5.444 25137 8784 1 13 . 1 1 80 80 ILE HA H 80 4.545 4.545 4.652 -0.107 25137 8785 1 13 . 1 1 80 80 ILE C C 80 174.750 174.750 175.176 -0.426 25137 8786 1 13 . 1 1 80 80 ILE CA C 80 58.914 58.914 59.663 -0.748 25137 8787 1 13 . 1 1 80 80 ILE CB C 80 43.079 43.079 42.347 0.732 25137 8788 1 13 . 1 1 80 80 ILE H H 80 8.024 8.024 8.681 -0.657 25137 8789 1 13 . 1 1 81 81 LEU N N 81 124.450 124.450 126.615 -2.165 25137 8790 1 13 . 1 1 81 81 LEU HA H 81 5.470 5.470 5.047 0.423 25137 8791 1 13 . 1 1 81 81 LEU C C 81 175.620 175.620 176.258 -0.638 25137 8792 1 13 . 1 1 81 81 LEU CA C 81 53.345 53.345 53.406 -0.061 25137 8793 1 13 . 1 1 81 81 LEU CB C 81 43.304 43.304 39.975 3.329 25137 8794 1 13 . 1 1 81 81 LEU H H 81 8.935 8.935 9.036 -0.101 25137 8795 1 13 . 1 1 82 82 HIS N N 82 126.167 126.167 126.211 -0.044 25137 8796 1 13 . 1 1 82 82 HIS HA H 82 5.880 5.880 5.224 0.656 25137 8797 1 13 . 1 1 82 82 HIS C C 82 172.730 172.730 174.579 -1.849 25137 8798 1 13 . 1 1 82 82 HIS CA C 82 52.947 52.947 53.642 -0.695 25137 8799 1 13 . 1 1 82 82 HIS CB C 82 31.171 31.171 29.498 1.673 25137 8800 1 13 . 1 1 82 82 HIS H H 82 8.828 8.828 8.488 0.340 25137 8801 1 13 . 1 1 83 83 THR N N 83 114.001 114.001 118.187 -4.186 25137 8802 1 13 . 1 1 83 83 THR HA H 83 5.305 5.305 5.110 0.195 25137 8803 1 13 . 1 1 83 83 THR C C 83 172.800 172.800 174.711 -1.911 25137 8804 1 13 . 1 1 83 83 THR CA C 83 58.807 58.807 58.998 -0.191 25137 8805 1 13 . 1 1 83 83 THR CB C 83 69.366 69.366 70.716 -1.349 25137 8806 1 13 . 1 1 83 83 THR H H 83 7.252 7.252 7.689 -0.437 25137 8807 1 13 . 1 1 84 84 GLY N N 84 115.666 115.666 110.415 5.251 25137 8808 1 13 . 1 1 84 84 GLY C C 84 173.764 173.764 173.457 0.307 25137 8809 1 13 . 1 1 84 84 GLY CA C 84 45.284 45.284 44.499 0.785 25137 8810 1 13 . 1 1 84 84 GLY H H 84 8.483 8.483 8.694 -0.211 25137 8811 1 13 . 1 1 85 85 ASP N N 85 123.490 123.490 120.126 3.364 25137 8812 1 13 . 1 1 85 85 ASP HA H 85 4.982 4.982 4.936 0.046 25137 8813 1 13 . 1 1 85 85 ASP C C 85 175.829 175.829 175.431 0.398 25137 8814 1 13 . 1 1 85 85 ASP CA C 85 53.420 53.420 53.467 -0.047 25137 8815 1 13 . 1 1 85 85 ASP CB C 85 41.560 41.560 42.697 -1.137 25137 8816 1 13 . 1 1 85 85 ASP H H 85 8.510 8.510 7.956 0.554 25137 8817 1 13 . 1 1 86 86 LEU N N 86 122.010 122.010 125.728 -3.718 25137 8818 1 13 . 1 1 86 86 LEU HA H 86 3.997 3.997 4.640 -0.643 25137 8819 1 13 . 1 1 86 86 LEU C C 86 178.242 178.242 177.033 1.209 25137 8820 1 13 . 1 1 86 86 LEU CA C 86 57.410 57.410 55.373 2.037 25137 8821 1 13 . 1 1 86 86 LEU CB C 86 42.000 42.000 42.949 -0.949 25137 8822 1 13 . 1 1 86 86 LEU H H 86 8.210 8.210 8.754 -0.544 25137 8823 1 13 . 1 1 87 87 ASP N N 87 117.260 117.260 120.068 -2.808 25137 8824 1 13 . 1 1 87 87 ASP HA H 87 4.535 4.535 4.544 -0.009 25137 8825 1 13 . 1 1 87 87 ASP C C 87 178.351 178.351 178.641 -0.290 25137 8826 1 13 . 1 1 87 87 ASP CA C 87 56.010 56.010 57.130 -1.120 25137 8827 1 13 . 1 1 87 87 ASP CB C 87 41.400 41.400 41.056 0.345 25137 8828 1 13 . 1 1 87 87 ASP H H 87 8.290 8.290 7.823 0.467 25137 8829 1 13 . 1 1 88 88 ARG N N 88 120.750 120.750 120.666 0.084 25137 8830 1 13 . 1 1 88 88 ARG HA H 88 4.015 4.015 4.073 -0.058 25137 8831 1 13 . 1 1 88 88 ARG C C 88 177.300 177.300 178.250 -0.950 25137 8832 1 13 . 1 1 88 88 ARG CA C 88 58.340 58.340 58.165 0.175 25137 8833 1 13 . 1 1 88 88 ARG CB C 88 30.460 30.460 30.400 0.060 25137 8834 1 13 . 1 1 88 88 ARG H H 88 8.040 8.040 8.266 -0.226 25137 8835 1 13 . 1 1 89 89 HIS N N 89 115.580 115.580 115.937 -0.357 25137 8836 1 13 . 1 1 89 89 HIS HA H 89 5.026 5.026 4.748 0.278 25137 8837 1 13 . 1 1 89 89 HIS C C 89 175.670 175.670 175.817 -0.147 25137 8838 1 13 . 1 1 89 89 HIS CA C 89 55.300 55.300 55.746 -0.446 25137 8839 1 13 . 1 1 89 89 HIS CB C 89 29.890 29.890 29.313 0.577 25137 8840 1 13 . 1 1 89 89 HIS H H 89 7.900 7.900 8.850 -0.950 25137 8841 1 13 . 1 1 90 90 GLY N N 90 108.320 108.320 108.473 -0.153 25137 8842 1 13 . 1 1 90 90 GLY C C 90 175.880 175.880 175.466 0.414 25137 8843 1 13 . 1 1 90 90 GLY CA C 90 48.310 48.310 47.031 1.279 25137 8844 1 13 . 1 1 90 90 GLY H H 90 7.790 7.790 7.780 0.010 25137 8845 1 13 . 1 1 91 91 GLU N N 91 120.490 120.490 121.406 -0.916 25137 8846 1 13 . 1 1 91 91 GLU HA H 91 4.043 4.043 3.948 0.095 25137 8847 1 13 . 1 1 91 91 GLU C C 91 178.410 178.410 178.658 -0.248 25137 8848 1 13 . 1 1 91 91 GLU CA C 91 59.200 59.200 58.873 0.327 25137 8849 1 13 . 1 1 91 91 GLU CB C 91 29.240 29.240 28.914 0.326 25137 8850 1 13 . 1 1 91 91 GLU H H 91 8.580 8.580 8.129 0.451 25137 8851 1 13 . 1 1 92 92 LEU N N 92 121.740 121.740 120.862 0.878 25137 8852 1 13 . 1 1 92 92 LEU HA H 92 4.048 4.048 4.026 0.022 25137 8853 1 13 . 1 1 92 92 LEU C C 92 178.630 178.630 178.497 0.133 25137 8854 1 13 . 1 1 92 92 LEU CA C 92 57.690 57.690 57.861 -0.171 25137 8855 1 13 . 1 1 92 92 LEU CB C 92 41.820 41.820 41.727 0.093 25137 8856 1 13 . 1 1 92 92 LEU H H 92 7.690 7.690 7.881 -0.191 25137 8857 1 13 . 1 1 93 93 LEU N N 93 117.310 117.310 118.464 -1.154 25137 8858 1 13 . 1 1 93 93 LEU HA H 93 3.881 3.881 3.847 0.034 25137 8859 1 13 . 1 1 93 93 LEU C C 93 174.967 174.967 179.117 -4.150 25137 8860 1 13 . 1 1 93 93 LEU CA C 93 57.940 57.940 58.051 -0.111 25137 8861 1 13 . 1 1 93 93 LEU CB C 93 40.640 40.640 41.121 -0.481 25137 8862 1 13 . 1 1 93 93 LEU H H 93 8.160 8.160 8.279 -0.119 25137 8863 1 13 . 1 1 94 94 ARG N N 94 117.940 117.940 118.634 -0.694 25137 8864 1 13 . 1 1 94 94 ARG HA H 94 4.120 4.120 4.116 0.004 25137 8865 1 13 . 1 1 94 94 ARG C C 94 177.870 177.870 177.983 -0.113 25137 8866 1 13 . 1 1 94 94 ARG CA C 94 58.450 58.450 59.078 -0.628 25137 8867 1 13 . 1 1 94 94 ARG CB C 94 30.370 30.370 30.118 0.252 25137 8868 1 13 . 1 1 94 94 ARG H H 94 7.770 7.770 7.841 -0.071 25137 8869 1 13 . 1 1 95 95 LYS N N 95 118.380 118.380 118.041 0.339 25137 8870 1 13 . 1 1 95 95 LYS HA H 95 4.160 4.160 4.146 0.014 25137 8871 1 13 . 1 1 95 95 LYS C C 95 177.730 177.730 177.932 -0.202 25137 8872 1 13 . 1 1 95 95 LYS CA C 95 57.600 57.600 58.637 -1.037 25137 8873 1 13 . 1 1 95 95 LYS CB C 95 32.770 32.770 32.855 -0.085 25137 8874 1 13 . 1 1 95 95 LYS H H 95 7.640 7.640 7.401 0.239 25137 8875 1 13 . 1 1 96 96 ILE N N 96 120.160 120.160 117.910 2.250 25137 8876 1 13 . 1 1 96 96 ILE HA H 96 3.781 3.781 3.944 -0.163 25137 8877 1 13 . 1 1 96 96 ILE C C 96 175.840 175.840 176.640 -0.800 25137 8878 1 13 . 1 1 96 96 ILE CA C 96 63.720 63.720 63.915 -0.195 25137 8879 1 13 . 1 1 96 96 ILE CB C 96 38.670 38.670 38.586 0.084 25137 8880 1 13 . 1 1 96 96 ILE H H 96 7.980 7.980 8.049 -0.069 25137 8881 1 13 . 1 1 97 97 ASP N N 97 120.510 120.510 119.061 1.449 25137 8882 1 13 . 1 1 97 97 ASP HA H 97 4.380 4.380 4.187 0.193 25137 8883 1 13 . 1 1 97 97 ASP C C 97 173.580 173.580 174.443 -0.863 25137 8884 1 13 . 1 1 97 97 ASP CA C 97 54.300 54.300 55.119 -0.819 25137 8885 1 13 . 1 1 97 97 ASP CB C 97 39.490 39.490 40.012 -0.522 25137 8886 1 13 . 1 1 97 97 ASP H H 97 8.160 8.160 7.960 0.200 25137 8887 1 13 . 1 1 98 98 ALA N N 98 123.800 123.800 124.147 -0.347 25137 8888 1 13 . 1 1 98 98 ALA HA H 98 4.550 4.550 4.595 -0.045 25137 8889 1 13 . 1 1 98 98 ALA CA C 98 49.860 49.860 50.723 -0.863 25137 8890 1 13 . 1 1 98 98 ALA CB C 98 21.070 21.070 20.139 0.931 25137 8891 1 13 . 1 1 98 98 ALA H H 98 7.680 7.680 8.058 -0.378 25137 8892 1 13 . 1 1 99 99 PRO HA H 99 4.370 4.370 4.427 -0.057 25137 8893 1 13 . 1 1 99 99 PRO C C 99 174.760 174.760 175.576 -0.816 25137 8894 1 13 . 1 1 99 99 PRO CA C 99 62.950 62.950 63.385 -0.435 25137 8895 1 13 . 1 1 99 99 PRO CB C 99 32.310 32.310 31.954 0.356 25137 8896 1 13 . 1 1 100 100 VAL N N 100 120.490 120.490 121.935 -1.445 25137 8897 1 13 . 1 1 100 100 VAL HA H 100 4.832 4.832 4.621 0.211 25137 8898 1 13 . 1 1 100 100 VAL C C 100 176.650 176.650 175.494 1.156 25137 8899 1 13 . 1 1 100 100 VAL CA C 100 60.450 60.450 61.308 -0.858 25137 8900 1 13 . 1 1 100 100 VAL CB C 100 34.830 34.830 34.828 0.002 25137 8901 1 13 . 1 1 100 100 VAL H H 100 8.270 8.270 8.193 0.077 25137 8902 1 13 . 1 1 101 101 MET N N 101 127.420 127.420 126.040 1.380 25137 8903 1 13 . 1 1 101 101 MET HA H 101 4.705 4.705 4.704 0.001 25137 8904 1 13 . 1 1 101 101 MET C C 101 174.490 174.490 174.818 -0.328 25137 8905 1 13 . 1 1 101 101 MET CA C 101 54.730 54.730 53.395 1.335 25137 8906 1 13 . 1 1 101 101 MET CB C 101 34.560 34.560 32.887 1.673 25137 8907 1 13 . 1 1 101 101 MET H H 101 9.240 9.240 9.216 0.024 25137 8908 1 13 . 1 1 102 102 ALA N N 102 128.590 128.590 127.940 0.650 25137 8909 1 13 . 1 1 102 102 ALA HA H 102 4.608 4.608 4.800 -0.192 25137 8910 1 13 . 1 1 102 102 ALA C C 102 177.935 177.935 177.455 0.480 25137 8911 1 13 . 1 1 102 102 ALA CA C 102 51.930 51.930 52.094 -0.164 25137 8912 1 13 . 1 1 102 102 ALA CB C 102 19.040 19.040 19.873 -0.833 25137 8913 1 13 . 1 1 102 102 ALA H H 102 8.760 8.760 8.521 0.239 25137 8914 1 13 . 1 1 103 103 LYS N N 103 120.200 120.200 124.404 -4.204 25137 8915 1 13 . 1 1 103 103 LYS HA H 103 4.284 4.284 4.915 -0.631 25137 8916 1 13 . 1 1 103 103 LYS CA C 103 54.370 54.370 54.524 -0.154 25137 8917 1 13 . 1 1 103 103 LYS CB C 103 34.190 34.190 32.274 1.916 25137 8918 1 13 . 1 1 103 103 LYS H H 103 7.300 7.300 8.065 -0.765 25137 8919 1 13 . 1 1 104 104 PRO HA H 104 4.611 4.611 4.507 0.104 25137 8920 1 13 . 1 1 104 104 PRO C C 104 174.980 174.980 175.658 -0.678 25137 8921 1 13 . 1 1 104 104 PRO CA C 104 62.626 62.626 62.663 -0.037 25137 8922 1 13 . 1 1 104 104 PRO CB C 104 33.867 33.867 32.297 1.570 25137 8923 1 13 . 1 1 105 105 ALA N N 105 125.082 125.082 124.308 0.774 25137 8924 1 13 . 1 1 105 105 ALA HA H 105 4.576 4.576 4.472 0.104 25137 8925 1 13 . 1 1 105 105 ALA C C 105 176.890 176.890 176.235 0.655 25137 8926 1 13 . 1 1 105 105 ALA CA C 105 51.177 51.177 51.444 -0.267 25137 8927 1 13 . 1 1 105 105 ALA CB C 105 21.735 21.735 21.409 0.326 25137 8928 1 13 . 1 1 105 105 ALA H H 105 8.668 8.668 8.238 0.430 25137 8929 1 13 . 1 1 106 106 ASP N N 106 122.306 122.306 124.242 -1.936 25137 8930 1 13 . 1 1 106 106 ASP HA H 106 4.636 4.636 4.615 0.021 25137 8931 1 13 . 1 1 106 106 ASP C C 106 178.383 178.383 177.646 0.737 25137 8932 1 13 . 1 1 106 106 ASP CA C 106 54.312 54.312 54.346 -0.035 25137 8933 1 13 . 1 1 106 106 ASP CB C 106 41.260 41.260 42.251 -0.991 25137 8934 1 13 . 1 1 106 106 ASP H H 106 8.867 8.867 8.518 0.349 25137 8935 1 13 . 1 1 107 107 THR N N 107 119.540 119.540 117.533 2.007 25137 8936 1 13 . 1 1 107 107 THR HA H 107 3.573 3.573 3.979 -0.406 25137 8937 1 13 . 1 1 107 107 THR C C 107 176.393 176.393 176.237 0.156 25137 8938 1 13 . 1 1 107 107 THR CA C 107 65.940 65.940 64.733 1.207 25137 8939 1 13 . 1 1 107 107 THR CB C 107 68.191 68.191 68.900 -0.709 25137 8940 1 13 . 1 1 107 107 THR H H 107 8.658 8.658 8.393 0.265 25137 8941 1 13 . 1 1 108 108 SER N N 108 117.095 117.095 117.526 -0.431 25137 8942 1 13 . 1 1 108 108 SER HA H 108 4.140 4.140 4.023 0.117 25137 8943 1 13 . 1 1 108 108 SER C C 108 176.143 176.143 176.101 0.042 25137 8944 1 13 . 1 1 108 108 SER CA C 108 61.650 61.650 61.984 -0.334 25137 8945 1 13 . 1 1 108 108 SER CB C 108 62.450 62.450 62.996 -0.546 25137 8946 1 13 . 1 1 108 108 SER H H 108 8.480 8.480 8.130 0.350 25137 8947 1 13 . 1 1 109 109 ASP N N 109 122.520 122.520 122.366 0.154 25137 8948 1 13 . 1 1 109 109 ASP HA H 109 4.400 4.400 4.358 0.042 25137 8949 1 13 . 1 1 109 109 ASP C C 109 178.499 178.499 178.456 0.043 25137 8950 1 13 . 1 1 109 109 ASP CA C 109 56.990 56.990 58.039 -1.050 25137 8951 1 13 . 1 1 109 109 ASP CB C 109 40.560 40.560 40.635 -0.075 25137 8952 1 13 . 1 1 109 109 ASP H H 109 7.350 7.350 7.634 -0.284 25137 8953 1 13 . 1 1 110 110 VAL N N 110 120.210 120.210 119.826 0.384 25137 8954 1 13 . 1 1 110 110 VAL HA H 110 3.262 3.262 3.524 -0.262 25137 8955 1 13 . 1 1 110 110 VAL C C 110 176.535 176.535 177.643 -1.108 25137 8956 1 13 . 1 1 110 110 VAL CA C 110 66.090 66.090 66.469 -0.379 25137 8957 1 13 . 1 1 110 110 VAL CB C 110 31.400 31.400 31.269 0.131 25137 8958 1 13 . 1 1 110 110 VAL H H 110 7.440 7.440 7.660 -0.220 25137 8959 1 13 . 1 1 111 111 ALA N N 111 118.790 118.790 121.654 -2.864 25137 8960 1 13 . 1 1 111 111 ALA HA H 111 3.264 3.264 3.013 0.251 25137 8961 1 13 . 1 1 111 111 ALA C C 111 179.030 179.030 179.311 -0.281 25137 8962 1 13 . 1 1 111 111 ALA CA C 111 54.590 54.590 54.818 -0.228 25137 8963 1 13 . 1 1 111 111 ALA CB C 111 16.480 16.480 17.456 -0.976 25137 8964 1 13 . 1 1 111 111 ALA H H 111 7.610 7.610 7.866 -0.256 25137 8965 1 13 . 1 1 112 112 LYS N N 112 115.540 115.540 118.482 -2.942 25137 8966 1 13 . 1 1 112 112 LYS HA H 112 3.750 3.750 3.933 -0.183 25137 8967 1 13 . 1 1 112 112 LYS C C 112 179.470 179.470 179.214 0.256 25137 8968 1 13 . 1 1 112 112 LYS CA C 112 60.020 60.020 59.596 0.424 25137 8969 1 13 . 1 1 112 112 LYS CB C 112 32.680 32.680 32.252 0.428 25137 8970 1 13 . 1 1 112 112 LYS H H 112 7.840 7.840 8.072 -0.232 25137 8971 1 13 . 1 1 113 113 ARG N N 113 118.590 118.590 117.381 1.209 25137 8972 1 13 . 1 1 113 113 ARG HA H 113 4.021 4.021 4.434 -0.413 25137 8973 1 13 . 1 1 113 113 ARG C C 113 179.120 179.120 178.671 0.449 25137 8974 1 13 . 1 1 113 113 ARG CA C 113 58.180 58.180 57.907 0.273 25137 8975 1 13 . 1 1 113 113 ARG CB C 113 29.530 29.530 29.546 -0.016 25137 8976 1 13 . 1 1 113 113 ARG H H 113 7.860 7.860 7.973 -0.113 25137 8977 1 13 . 1 1 114 114 ALA N N 114 120.520 120.520 121.899 -1.379 25137 8978 1 13 . 1 1 114 114 ALA HA H 114 4.046 4.046 4.287 -0.241 25137 8979 1 13 . 1 1 114 114 ALA C C 114 179.280 179.280 179.989 -0.709 25137 8980 1 13 . 1 1 114 114 ALA CA C 114 55.070 55.070 54.578 0.492 25137 8981 1 13 . 1 1 114 114 ALA CB C 114 17.920 17.920 19.065 -1.145 25137 8982 1 13 . 1 1 114 114 ALA H H 114 8.190 8.190 7.472 0.718 25137 8983 1 13 . 1 1 115 115 LEU N N 115 115.820 115.820 119.507 -3.687 25137 8984 1 13 . 1 1 115 115 LEU HA H 115 4.225 4.225 4.022 0.203 25137 8985 1 13 . 1 1 115 115 LEU C C 115 180.490 180.490 178.840 1.650 25137 8986 1 13 . 1 1 115 115 LEU CA C 115 57.600 57.600 57.647 -0.047 25137 8987 1 13 . 1 1 115 115 LEU CB C 115 40.590 40.590 41.874 -1.284 25137 8988 1 13 . 1 1 115 115 LEU H H 115 8.320 8.320 8.652 -0.332 25137 8989 1 13 . 1 1 116 116 GLU N N 116 119.789 119.789 119.326 0.463 25137 8990 1 13 . 1 1 116 116 GLU HA H 116 4.109 4.109 4.082 0.027 25137 8991 1 13 . 1 1 116 116 GLU C C 116 178.790 178.790 179.080 -0.290 25137 8992 1 13 . 1 1 116 116 GLU CA C 116 58.625 58.625 58.904 -0.279 25137 8993 1 13 . 1 1 116 116 GLU CB C 116 29.548 29.548 29.033 0.515 25137 8994 1 13 . 1 1 116 116 GLU H H 116 7.904 7.904 8.503 -0.599 25137 8995 1 13 . 1 1 117 117 MET N N 117 116.426 116.426 118.076 -1.650 25137 8996 1 13 . 1 1 117 117 MET HA H 117 4.245 4.245 4.326 -0.081 25137 8997 1 13 . 1 1 117 117 MET C C 117 176.890 176.890 177.437 -0.547 25137 8998 1 13 . 1 1 117 117 MET CA C 117 57.638 57.638 57.397 0.241 25137 8999 1 13 . 1 1 117 117 MET CB C 117 33.467 33.467 32.846 0.620 25137 9000 1 13 . 1 1 117 117 MET H H 117 7.712 7.712 7.766 -0.054 25137 9001 1 13 . 1 1 118 118 CYS N N 118 113.993 113.993 118.520 -4.527 25137 9002 1 13 . 1 1 118 118 CYS HA H 118 4.699 4.699 4.517 0.182 25137 9003 1 13 . 1 1 118 118 CYS C C 118 174.750 174.750 176.676 -1.926 25137 9004 1 13 . 1 1 118 118 CYS CA C 118 58.541 58.541 59.028 -0.486 25137 9005 1 13 . 1 1 118 118 CYS CB C 118 28.552 28.552 30.564 -2.011 25137 9006 1 13 . 1 1 118 118 CYS H H 118 7.428 7.428 7.764 -0.336 25137 9007 1 13 . 1 1 119 119 GLY N N 119 109.823 109.823 108.733 1.090 25137 9008 1 13 . 1 1 119 119 GLY C C 119 174.660 174.660 174.950 -0.290 25137 9009 1 13 . 1 1 119 119 GLY CA C 119 45.709 45.709 45.062 0.647 25137 9010 1 13 . 1 1 119 119 GLY H H 119 8.056 8.056 8.509 -0.453 25137 9011 1 13 . 1 1 120 120 GLY N N 120 108.821 108.821 109.107 -0.286 25137 9012 1 13 . 1 1 120 120 GLY C C 120 173.790 173.790 174.629 -0.839 25137 9013 1 13 . 1 1 120 120 GLY CA C 120 45.326 45.326 45.305 0.021 25137 9014 1 13 . 1 1 120 120 GLY H H 120 8.301 8.301 7.830 0.471 25137 9015 1 13 . 1 1 121 121 ASP N N 121 120.383 120.383 121.361 -0.978 25137 9016 1 13 . 1 1 121 121 ASP HA H 121 4.591 4.591 4.723 -0.132 25137 9017 1 13 . 1 1 121 121 ASP C C 121 176.160 176.160 175.264 0.896 25137 9018 1 13 . 1 1 121 121 ASP CA C 121 54.313 54.313 53.902 0.411 25137 9019 1 13 . 1 1 121 121 ASP CB C 121 41.079 41.079 40.748 0.331 25137 9020 1 13 . 1 1 121 121 ASP H H 121 8.438 8.438 8.258 0.180 25137 9021 1 13 . 1 1 122 122 LYS N N 122 121.450 121.450 124.184 -2.734 25137 9022 1 13 . 1 1 122 122 LYS HA H 122 4.350 4.350 4.576 -0.226 25137 9023 1 13 . 1 1 122 122 LYS C C 122 177.184 177.184 175.572 1.612 25137 9024 1 13 . 1 1 122 122 LYS CA C 122 55.890 55.890 56.048 -0.158 25137 9025 1 13 . 1 1 122 122 LYS CB C 122 33.190 33.190 34.647 -1.457 25137 9026 1 13 . 1 1 122 122 LYS H H 122 8.258 8.258 8.225 0.033 25137 9027 1 13 . 1 1 123 123 GLU N N 123 123.560 123.560 126.164 -2.604 25137 9028 1 13 . 1 1 123 123 GLU HA H 123 4.550 4.550 4.551 -0.001 25137 9029 1 13 . 1 1 123 123 GLU CA C 123 54.470 54.470 53.556 0.914 25137 9030 1 13 . 1 1 123 123 GLU CB C 123 29.640 29.640 30.142 -0.502 25137 9031 1 13 . 1 1 123 123 GLU H H 123 8.420 8.420 8.672 -0.252 25137 9032 1 13 . 1 1 124 124 PRO HA H 124 4.384 4.384 4.442 -0.058 25137 9033 1 13 . 1 1 124 124 PRO C C 124 175.770 175.770 175.662 0.108 25137 9034 1 13 . 1 1 124 124 PRO CA C 124 63.350 63.350 63.039 0.311 25137 9035 1 13 . 1 1 124 124 PRO CB C 124 32.300 32.300 30.415 1.885 25137 9036 1 14 . 1 1 2 2 ALA N N 2 123.423 123.423 121.809 1.614 25137 9037 1 14 . 1 1 2 2 ALA HA H 2 4.357 4.357 4.509 -0.152 25137 9038 1 14 . 1 1 2 2 ALA C C 2 177.811 177.811 178.815 -1.004 25137 9039 1 14 . 1 1 2 2 ALA CA C 2 52.652 52.652 52.944 -0.292 25137 9040 1 14 . 1 1 2 2 ALA CB C 2 19.488 19.488 19.293 0.196 25137 9041 1 14 . 1 1 2 2 ALA H H 2 7.983 7.983 8.123 -0.140 25137 9042 1 14 . 1 1 3 3 MET N N 3 119.390 119.390 117.664 1.726 25137 9043 1 14 . 1 1 3 3 MET HA H 3 4.482 4.482 4.540 -0.058 25137 9044 1 14 . 1 1 3 3 MET C C 3 176.569 176.569 177.231 -0.662 25137 9045 1 14 . 1 1 3 3 MET CA C 3 55.570 55.570 57.460 -1.890 25137 9046 1 14 . 1 1 3 3 MET CB C 3 32.900 32.900 33.152 -0.252 25137 9047 1 14 . 1 1 3 3 MET H H 3 8.570 8.570 8.690 -0.120 25137 9048 1 14 . 1 1 4 4 GLY N N 4 110.130 110.130 107.116 3.014 25137 9049 1 14 . 1 1 4 4 GLY C C 4 173.630 173.630 172.415 1.215 25137 9050 1 14 . 1 1 4 4 GLY CA C 4 45.270 45.270 45.048 0.222 25137 9051 1 14 . 1 1 4 4 GLY H H 4 8.370 8.370 7.765 0.605 25137 9052 1 14 . 1 1 5 5 MET N N 5 121.570 121.570 119.919 1.651 25137 9053 1 14 . 1 1 5 5 MET HA H 5 4.780 4.780 5.178 -0.398 25137 9054 1 14 . 1 1 5 5 MET CA C 5 53.630 53.630 53.694 -0.064 25137 9055 1 14 . 1 1 5 5 MET CB C 5 33.140 33.140 35.238 -2.098 25137 9056 1 14 . 1 1 5 5 MET H H 5 8.210 8.210 8.016 0.194 25137 9057 1 14 . 1 1 6 6 PRO HA H 6 4.505 4.505 4.701 -0.196 25137 9058 1 14 . 1 1 6 6 PRO C C 6 174.520 174.520 175.469 -0.949 25137 9059 1 14 . 1 1 6 6 PRO CA C 6 62.980 62.980 62.210 0.770 25137 9060 1 14 . 1 1 6 6 PRO CB C 6 32.400 32.400 32.740 -0.340 25137 9061 1 14 . 1 1 7 7 LYS N N 7 123.443 123.443 124.402 -0.959 25137 9062 1 14 . 1 1 7 7 LYS HA H 7 5.000 5.000 4.466 0.534 25137 9063 1 14 . 1 1 7 7 LYS C C 7 175.920 175.920 175.874 0.046 25137 9064 1 14 . 1 1 7 7 LYS CA C 7 54.911 54.911 55.283 -0.372 25137 9065 1 14 . 1 1 7 7 LYS CB C 7 33.635 33.635 32.565 1.070 25137 9066 1 14 . 1 1 7 7 LYS H H 7 9.675 9.675 9.117 0.558 25137 9067 1 14 . 1 1 8 8 VAL N N 8 125.859 125.859 127.377 -1.518 25137 9068 1 14 . 1 1 8 8 VAL HA H 8 4.723 4.723 4.927 -0.204 25137 9069 1 14 . 1 1 8 8 VAL C C 8 174.630 174.630 174.127 0.503 25137 9070 1 14 . 1 1 8 8 VAL CA C 8 59.726 59.726 60.366 -0.640 25137 9071 1 14 . 1 1 8 8 VAL CB C 8 34.991 34.991 33.212 1.779 25137 9072 1 14 . 1 1 8 8 VAL H H 8 8.851 8.851 9.107 -0.256 25137 9073 1 14 . 1 1 9 9 LEU N N 9 127.114 127.114 129.249 -2.135 25137 9074 1 14 . 1 1 9 9 LEU HA H 9 5.190 5.190 4.896 0.294 25137 9075 1 14 . 1 1 9 9 LEU C C 9 174.090 174.090 174.482 -0.392 25137 9076 1 14 . 1 1 9 9 LEU CA C 9 53.090 53.090 52.904 0.186 25137 9077 1 14 . 1 1 9 9 LEU CB C 9 45.007 45.007 43.834 1.173 25137 9078 1 14 . 1 1 9 9 LEU H H 9 7.881 7.881 8.707 -0.826 25137 9079 1 14 . 1 1 10 10 VAL N N 10 128.024 128.024 127.641 0.383 25137 9080 1 14 . 1 1 10 10 VAL HA H 10 4.647 4.647 4.545 0.102 25137 9081 1 14 . 1 1 10 10 VAL C C 10 172.900 172.900 174.091 -1.191 25137 9082 1 14 . 1 1 10 10 VAL CA C 10 61.206 61.206 61.425 -0.219 25137 9083 1 14 . 1 1 10 10 VAL CB C 10 34.541 34.541 32.988 1.553 25137 9084 1 14 . 1 1 10 10 VAL H H 10 8.952 8.952 9.241 -0.289 25137 9085 1 14 . 1 1 11 11 LEU N N 11 128.979 128.979 129.809 -0.830 25137 9086 1 14 . 1 1 11 11 LEU HA H 11 5.504 5.504 5.313 0.191 25137 9087 1 14 . 1 1 11 11 LEU C C 11 174.450 174.450 175.041 -0.591 25137 9088 1 14 . 1 1 11 11 LEU CA C 11 52.328 52.328 52.757 -0.429 25137 9089 1 14 . 1 1 11 11 LEU CB C 11 45.000 45.000 41.755 3.244 25137 9090 1 14 . 1 1 11 11 LEU H H 11 8.433 8.433 9.184 -0.751 25137 9091 1 14 . 1 1 12 12 GLU N N 12 128.158 128.158 124.531 3.627 25137 9092 1 14 . 1 1 12 12 GLU HA H 12 4.294 4.294 4.618 -0.324 25137 9093 1 14 . 1 1 12 12 GLU C C 12 173.120 173.120 174.589 -1.469 25137 9094 1 14 . 1 1 12 12 GLU CA C 12 56.964 56.964 56.139 0.825 25137 9095 1 14 . 1 1 12 12 GLU CB C 12 32.201 32.201 32.697 -0.496 25137 9096 1 14 . 1 1 12 12 GLU H H 12 8.532 8.532 8.771 -0.239 25137 9097 1 14 . 1 1 13 13 ASP N N 13 123.077 123.077 125.562 -2.485 25137 9098 1 14 . 1 1 13 13 ASP HA H 13 4.659 4.659 4.687 -0.028 25137 9099 1 14 . 1 1 13 13 ASP C C 13 176.090 176.090 176.753 -0.663 25137 9100 1 14 . 1 1 13 13 ASP CA C 13 55.140 55.140 54.668 0.472 25137 9101 1 14 . 1 1 13 13 ASP CB C 13 40.524 40.524 42.214 -1.690 25137 9102 1 14 . 1 1 13 13 ASP H H 13 8.803 8.803 8.724 0.079 25137 9103 1 14 . 1 1 14 14 GLU N N 14 126.685 126.685 121.208 5.477 25137 9104 1 14 . 1 1 14 14 GLU HA H 14 4.809 4.809 4.549 0.260 25137 9105 1 14 . 1 1 14 14 GLU CA C 14 54.574 54.574 54.605 -0.031 25137 9106 1 14 . 1 1 14 14 GLU CB C 14 29.310 29.310 29.649 -0.339 25137 9107 1 14 . 1 1 14 14 GLU H H 14 10.077 10.077 8.488 1.589 25137 9108 1 14 . 1 1 15 15 PRO HA H 15 4.273 4.273 4.183 0.090 25137 9109 1 14 . 1 1 15 15 PRO C C 15 179.110 179.110 178.576 0.534 25137 9110 1 14 . 1 1 15 15 PRO CA C 15 65.472 65.472 65.772 -0.300 25137 9111 1 14 . 1 1 15 15 PRO CB C 15 32.462 32.462 31.883 0.579 25137 9112 1 14 . 1 1 16 16 LEU N N 16 118.358 118.358 118.208 0.150 25137 9113 1 14 . 1 1 16 16 LEU HA H 16 4.131 4.131 4.121 0.010 25137 9114 1 14 . 1 1 16 16 LEU C C 16 179.260 179.260 178.662 0.598 25137 9115 1 14 . 1 1 16 16 LEU CA C 16 58.306 58.306 58.198 0.108 25137 9116 1 14 . 1 1 16 16 LEU CB C 16 41.731 41.731 41.772 -0.041 25137 9117 1 14 . 1 1 16 16 LEU H H 16 8.851 8.851 8.021 0.830 25137 9118 1 14 . 1 1 17 17 ILE N N 17 117.680 117.680 119.615 -1.935 25137 9119 1 14 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.654 0.178 25137 9120 1 14 . 1 1 17 17 ILE C C 17 178.230 178.230 177.830 0.400 25137 9121 1 14 . 1 1 17 17 ILE CA C 17 63.344 63.344 65.030 -1.686 25137 9122 1 14 . 1 1 17 17 ILE CB C 17 36.564 36.564 37.202 -0.638 25137 9123 1 14 . 1 1 17 17 ILE H H 17 6.886 6.886 7.538 -0.652 25137 9124 1 14 . 1 1 18 18 ALA N N 18 122.321 122.321 122.763 -0.442 25137 9125 1 14 . 1 1 18 18 ALA HA H 18 3.720 3.720 3.941 -0.221 25137 9126 1 14 . 1 1 18 18 ALA C C 18 178.900 178.900 179.460 -0.560 25137 9127 1 14 . 1 1 18 18 ALA CA C 18 55.890 55.890 55.441 0.449 25137 9128 1 14 . 1 1 18 18 ALA CB C 18 18.165 18.165 18.266 -0.101 25137 9129 1 14 . 1 1 18 18 ALA H H 18 7.988 7.988 8.482 -0.494 25137 9130 1 14 . 1 1 19 19 MET N N 19 115.807 115.807 118.355 -2.548 25137 9131 1 14 . 1 1 19 19 MET HA H 19 3.999 3.999 3.882 0.117 25137 9132 1 14 . 1 1 19 19 MET C C 19 177.180 177.180 178.018 -0.838 25137 9133 1 14 . 1 1 19 19 MET CA C 19 58.144 58.144 58.944 -0.800 25137 9134 1 14 . 1 1 19 19 MET CB C 19 32.852 32.852 32.629 0.223 25137 9135 1 14 . 1 1 19 19 MET H H 19 8.204 8.204 8.427 -0.223 25137 9136 1 14 . 1 1 20 20 ASN N N 20 117.843 117.843 119.038 -1.195 25137 9137 1 14 . 1 1 20 20 ASN HA H 20 4.545 4.545 4.678 -0.133 25137 9138 1 14 . 1 1 20 20 ASN C C 20 179.590 179.590 178.301 1.289 25137 9139 1 14 . 1 1 20 20 ASN CA C 20 56.222 56.222 56.331 -0.109 25137 9140 1 14 . 1 1 20 20 ASN CB C 20 38.005 38.005 38.677 -0.672 25137 9141 1 14 . 1 1 20 20 ASN H H 20 7.839 7.839 8.404 -0.565 25137 9142 1 14 . 1 1 21 21 LEU N N 21 121.749 121.749 121.026 0.723 25137 9143 1 14 . 1 1 21 21 LEU HA H 21 4.055 4.055 4.044 0.011 25137 9144 1 14 . 1 1 21 21 LEU C C 21 177.750 177.750 178.705 -0.955 25137 9145 1 14 . 1 1 21 21 LEU CA C 21 58.268 58.268 58.238 0.030 25137 9146 1 14 . 1 1 21 21 LEU CB C 21 42.605 42.605 41.873 0.731 25137 9147 1 14 . 1 1 21 21 LEU H H 21 8.601 8.601 8.733 -0.132 25137 9148 1 14 . 1 1 22 22 GLN N N 22 120.991 120.991 119.697 1.294 25137 9149 1 14 . 1 1 22 22 GLN HA H 22 3.935 3.935 3.956 -0.021 25137 9150 1 14 . 1 1 22 22 GLN C C 22 178.070 178.070 178.572 -0.502 25137 9151 1 14 . 1 1 22 22 GLN CA C 22 60.463 60.463 59.424 1.039 25137 9152 1 14 . 1 1 22 22 GLN CB C 22 26.902 26.902 28.506 -1.604 25137 9153 1 14 . 1 1 22 22 GLN H H 22 8.749 8.749 8.190 0.559 25137 9154 1 14 . 1 1 23 23 TYR N N 23 117.446 117.446 118.699 -1.253 25137 9155 1 14 . 1 1 23 23 TYR HA H 23 4.517 4.517 4.597 -0.080 25137 9156 1 14 . 1 1 23 23 TYR C C 23 178.210 178.210 178.375 -0.165 25137 9157 1 14 . 1 1 23 23 TYR CA C 23 59.425 59.425 59.986 -0.561 25137 9158 1 14 . 1 1 23 23 TYR CB C 23 36.975 36.975 37.760 -0.785 25137 9159 1 14 . 1 1 23 23 TYR H H 23 8.450 8.450 8.558 -0.108 25137 9160 1 14 . 1 1 24 24 ALA N N 24 121.627 121.627 122.992 -1.365 25137 9161 1 14 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.015 0.085 25137 9162 1 14 . 1 1 24 24 ALA C C 24 180.910 180.910 179.300 1.610 25137 9163 1 14 . 1 1 24 24 ALA CA C 24 55.060 55.060 54.938 0.122 25137 9164 1 14 . 1 1 24 24 ALA CB C 24 18.070 18.070 18.033 0.037 25137 9165 1 14 . 1 1 24 24 ALA H H 24 7.765 7.765 7.929 -0.164 25137 9166 1 14 . 1 1 25 25 PHE N N 25 115.589 115.589 117.781 -2.192 25137 9167 1 14 . 1 1 25 25 PHE HA H 25 3.940 3.940 4.110 -0.170 25137 9168 1 14 . 1 1 25 25 PHE C C 25 179.090 179.090 178.456 0.634 25137 9169 1 14 . 1 1 25 25 PHE CA C 25 63.453 63.453 62.529 0.923 25137 9170 1 14 . 1 1 25 25 PHE CB C 25 39.484 39.484 38.837 0.647 25137 9171 1 14 . 1 1 25 25 PHE H H 25 8.348 8.348 8.625 -0.277 25137 9172 1 14 . 1 1 26 26 GLU N N 26 121.198 121.198 119.849 1.349 25137 9173 1 14 . 1 1 26 26 GLU HA H 26 4.429 4.429 4.381 0.048 25137 9174 1 14 . 1 1 26 26 GLU C C 26 181.680 181.680 179.577 2.103 25137 9175 1 14 . 1 1 26 26 GLU CA C 26 59.737 59.737 58.877 0.860 25137 9176 1 14 . 1 1 26 26 GLU CB C 26 28.925 28.925 29.466 -0.541 25137 9177 1 14 . 1 1 26 26 GLU H H 26 8.822 8.822 8.416 0.406 25137 9178 1 14 . 1 1 27 27 ASP N N 27 121.846 121.846 120.158 1.688 25137 9179 1 14 . 1 1 27 27 ASP HA H 27 4.468 4.468 4.477 -0.009 25137 9180 1 14 . 1 1 27 27 ASP C C 27 177.880 177.880 177.815 0.065 25137 9181 1 14 . 1 1 27 27 ASP CA C 27 56.996 56.996 56.711 0.285 25137 9182 1 14 . 1 1 27 27 ASP CB C 27 40.640 40.640 40.971 -0.331 25137 9183 1 14 . 1 1 27 27 ASP H H 27 8.424 8.424 8.146 0.278 25137 9184 1 14 . 1 1 28 28 GLU N N 28 115.759 115.759 116.353 -0.594 25137 9185 1 14 . 1 1 28 28 GLU HA H 28 4.331 4.331 4.375 -0.044 25137 9186 1 14 . 1 1 28 28 GLU C C 28 176.460 176.460 176.486 -0.026 25137 9187 1 14 . 1 1 28 28 GLU CA C 28 55.395 55.395 56.053 -0.658 25137 9188 1 14 . 1 1 28 28 GLU CB C 28 30.264 30.264 29.731 0.533 25137 9189 1 14 . 1 1 28 28 GLU H H 28 7.170 7.170 7.605 -0.435 25137 9190 1 14 . 1 1 29 29 GLY N N 29 106.899 106.899 107.274 -0.375 25137 9191 1 14 . 1 1 29 29 GLY C C 29 173.160 173.160 172.602 0.558 25137 9192 1 14 . 1 1 29 29 GLY CA C 29 45.589 45.589 45.376 0.213 25137 9193 1 14 . 1 1 29 29 GLY H H 29 7.889 7.889 7.836 0.053 25137 9194 1 14 . 1 1 30 30 ALA N N 30 121.007 121.007 120.416 0.591 25137 9195 1 14 . 1 1 30 30 ALA HA H 30 4.680 4.680 4.715 -0.035 25137 9196 1 14 . 1 1 30 30 ALA C C 30 175.880 175.880 175.159 0.721 25137 9197 1 14 . 1 1 30 30 ALA CA C 30 50.666 50.666 50.859 -0.193 25137 9198 1 14 . 1 1 30 30 ALA CB C 30 21.882 21.882 22.206 -0.324 25137 9199 1 14 . 1 1 30 30 ALA H H 30 7.743 7.743 7.626 0.117 25137 9200 1 14 . 1 1 31 31 GLU N N 31 120.065 120.065 120.253 -0.188 25137 9201 1 14 . 1 1 31 31 GLU HA H 31 4.664 4.664 4.621 0.043 25137 9202 1 14 . 1 1 31 31 GLU C C 31 175.430 175.430 174.386 1.044 25137 9203 1 14 . 1 1 31 31 GLU CA C 31 55.136 55.136 55.488 -0.352 25137 9204 1 14 . 1 1 31 31 GLU CB C 31 32.126 32.126 32.094 0.032 25137 9205 1 14 . 1 1 31 31 GLU H H 31 8.595 8.595 8.510 0.085 25137 9206 1 14 . 1 1 32 32 VAL N N 32 123.414 123.414 124.654 -1.240 25137 9207 1 14 . 1 1 32 32 VAL HA H 32 4.787 4.787 4.658 0.129 25137 9208 1 14 . 1 1 32 32 VAL C C 32 175.290 175.290 175.519 -0.229 25137 9209 1 14 . 1 1 32 32 VAL CA C 32 60.802 60.802 60.779 0.023 25137 9210 1 14 . 1 1 32 32 VAL CB C 32 34.991 34.991 33.728 1.263 25137 9211 1 14 . 1 1 32 32 VAL H H 32 8.872 8.872 8.414 0.458 25137 9212 1 14 . 1 1 33 33 VAL N N 33 128.158 128.158 129.012 -0.854 25137 9213 1 14 . 1 1 33 33 VAL HA H 33 4.226 4.226 4.326 -0.100 25137 9214 1 14 . 1 1 33 33 VAL C C 33 173.830 173.830 174.473 -0.643 25137 9215 1 14 . 1 1 33 33 VAL CA C 33 60.990 60.990 61.185 -0.195 25137 9216 1 14 . 1 1 33 33 VAL CB C 33 33.736 33.736 33.750 -0.014 25137 9217 1 14 . 1 1 33 33 VAL H H 33 9.042 9.042 9.124 -0.082 25137 9218 1 14 . 1 1 34 34 VAL N N 34 126.239 126.239 127.067 -0.828 25137 9219 1 14 . 1 1 34 34 VAL HA H 34 4.751 4.751 4.573 0.178 25137 9220 1 14 . 1 1 34 34 VAL C C 34 175.100 175.100 175.161 -0.061 25137 9221 1 14 . 1 1 34 34 VAL CA C 34 61.389 61.389 61.327 0.062 25137 9222 1 14 . 1 1 34 34 VAL CB C 34 33.193 33.193 33.081 0.112 25137 9223 1 14 . 1 1 34 34 VAL H H 34 8.522 8.522 8.462 0.060 25137 9224 1 14 . 1 1 35 35 ALA N N 35 129.955 129.955 129.526 0.429 25137 9225 1 14 . 1 1 35 35 ALA HA H 35 4.682 4.682 5.084 -0.402 25137 9226 1 14 . 1 1 35 35 ALA C C 35 174.380 174.380 176.023 -1.643 25137 9227 1 14 . 1 1 35 35 ALA CA C 35 50.154 50.154 49.962 0.192 25137 9228 1 14 . 1 1 35 35 ALA CB C 35 22.922 22.922 22.432 0.490 25137 9229 1 14 . 1 1 35 35 ALA H H 35 9.388 9.388 9.011 0.377 25137 9230 1 14 . 1 1 36 36 ALA N N 36 121.011 121.011 123.977 -2.966 25137 9231 1 14 . 1 1 36 36 ALA HA H 36 4.632 4.632 4.558 0.074 25137 9232 1 14 . 1 1 36 36 ALA C C 36 176.490 176.490 176.656 -0.166 25137 9233 1 14 . 1 1 36 36 ALA CA C 36 51.778 51.778 52.732 -0.954 25137 9234 1 14 . 1 1 36 36 ALA CB C 36 21.506 21.506 19.275 2.231 25137 9235 1 14 . 1 1 36 36 ALA H H 36 8.539 8.539 8.797 -0.258 25137 9236 1 14 . 1 1 37 37 THR N N 37 102.880 102.880 106.678 -3.798 25137 9237 1 14 . 1 1 37 37 THR HA H 37 4.620 4.620 4.479 0.141 25137 9238 1 14 . 1 1 37 37 THR C C 37 174.710 174.710 175.438 -0.728 25137 9239 1 14 . 1 1 37 37 THR CA C 37 57.520 57.520 59.310 -1.790 25137 9240 1 14 . 1 1 37 37 THR CB C 37 72.972 72.972 72.219 0.754 25137 9241 1 14 . 1 1 37 37 THR H H 37 7.019 7.019 7.154 -0.135 25137 9242 1 14 . 1 1 38 38 CYS N N 38 120.553 120.553 120.178 0.375 25137 9243 1 14 . 1 1 38 38 CYS HA H 38 3.677 3.677 4.165 -0.488 25137 9244 1 14 . 1 1 38 38 CYS C C 38 176.020 176.020 176.872 -0.852 25137 9245 1 14 . 1 1 38 38 CYS CA C 38 63.179 63.179 62.842 0.338 25137 9246 1 14 . 1 1 38 38 CYS CB C 38 26.317 26.317 27.280 -0.963 25137 9247 1 14 . 1 1 38 38 CYS H H 38 9.398 9.398 8.880 0.518 25137 9248 1 14 . 1 1 39 39 GLU N N 39 118.521 118.521 120.827 -2.306 25137 9249 1 14 . 1 1 39 39 GLU HA H 39 3.829 3.829 3.930 -0.101 25137 9250 1 14 . 1 1 39 39 GLU C C 39 179.470 179.470 179.115 0.355 25137 9251 1 14 . 1 1 39 39 GLU CA C 39 60.594 60.594 59.837 0.757 25137 9252 1 14 . 1 1 39 39 GLU CB C 39 28.963 28.963 29.245 -0.282 25137 9253 1 14 . 1 1 39 39 GLU H H 39 8.960 8.960 8.522 0.438 25137 9254 1 14 . 1 1 40 40 GLN N N 40 118.602 118.602 118.694 -0.092 25137 9255 1 14 . 1 1 40 40 GLN HA H 40 4.021 4.021 3.967 0.054 25137 9256 1 14 . 1 1 40 40 GLN C C 40 176.211 176.211 178.371 -2.160 25137 9257 1 14 . 1 1 40 40 GLN CA C 40 58.306 58.306 58.731 -0.425 25137 9258 1 14 . 1 1 40 40 GLN CB C 40 28.925 28.925 28.532 0.393 25137 9259 1 14 . 1 1 40 40 GLN H H 40 7.855 7.855 8.170 -0.315 25137 9260 1 14 . 1 1 41 41 ALA N N 41 122.395 122.395 122.989 -0.594 25137 9261 1 14 . 1 1 41 41 ALA HA H 41 3.735 3.735 3.942 -0.207 25137 9262 1 14 . 1 1 41 41 ALA C C 41 178.440 178.440 179.420 -0.980 25137 9263 1 14 . 1 1 41 41 ALA CA C 41 55.178 55.178 55.231 -0.053 25137 9264 1 14 . 1 1 41 41 ALA CB C 41 19.872 19.872 18.377 1.496 25137 9265 1 14 . 1 1 41 41 ALA H H 41 8.009 8.009 7.428 0.581 25137 9266 1 14 . 1 1 42 42 LEU N N 42 116.832 116.832 118.229 -1.397 25137 9267 1 14 . 1 1 42 42 LEU HA H 42 3.875 3.875 3.841 0.034 25137 9268 1 14 . 1 1 42 42 LEU C C 42 180.080 180.080 179.132 0.948 25137 9269 1 14 . 1 1 42 42 LEU CA C 42 58.011 58.011 57.520 0.491 25137 9270 1 14 . 1 1 42 42 LEU CB C 42 40.961 40.961 41.175 -0.214 25137 9271 1 14 . 1 1 42 42 LEU H H 42 8.497 8.497 8.510 -0.013 25137 9272 1 14 . 1 1 43 43 LYS N N 43 121.087 121.087 120.123 0.964 25137 9273 1 14 . 1 1 43 43 LYS HA H 43 4.065 4.065 3.947 0.118 25137 9274 1 14 . 1 1 43 43 LYS C C 43 178.500 178.500 178.776 -0.276 25137 9275 1 14 . 1 1 43 43 LYS CA C 43 59.256 59.256 59.124 0.132 25137 9276 1 14 . 1 1 43 43 LYS CB C 43 32.295 32.295 31.926 0.369 25137 9277 1 14 . 1 1 43 43 LYS H H 43 7.593 7.593 7.939 -0.346 25137 9278 1 14 . 1 1 44 44 SER N N 44 115.150 115.150 115.625 -0.475 25137 9279 1 14 . 1 1 44 44 SER HA H 44 4.130 4.130 4.217 -0.087 25137 9280 1 14 . 1 1 44 44 SER C C 44 176.430 176.430 176.996 -0.566 25137 9281 1 14 . 1 1 44 44 SER CA C 44 62.900 62.900 61.256 1.644 25137 9282 1 14 . 1 1 44 44 SER CB C 44 62.900 62.900 62.959 -0.059 25137 9283 1 14 . 1 1 44 44 SER H H 44 8.100 8.100 7.822 0.278 25137 9284 1 14 . 1 1 45 45 LEU N N 45 120.050 120.050 121.317 -1.267 25137 9285 1 14 . 1 1 45 45 LEU HA H 45 4.121 4.121 4.091 0.030 25137 9286 1 14 . 1 1 45 45 LEU C C 45 177.260 177.260 178.474 -1.214 25137 9287 1 14 . 1 1 45 45 LEU CA C 45 56.770 56.770 57.403 -0.633 25137 9288 1 14 . 1 1 45 45 LEU CB C 45 42.389 42.389 40.900 1.489 25137 9289 1 14 . 1 1 45 45 LEU H H 45 8.050 8.050 8.458 -0.408 25137 9290 1 14 . 1 1 46 46 ALA N N 46 119.940 119.940 120.025 -0.085 25137 9291 1 14 . 1 1 46 46 ALA HA H 46 4.093 4.093 4.201 -0.108 25137 9292 1 14 . 1 1 46 46 ALA C C 46 179.310 179.310 179.096 0.214 25137 9293 1 14 . 1 1 46 46 ALA CA C 46 54.126 54.126 53.968 0.159 25137 9294 1 14 . 1 1 46 46 ALA CB C 46 18.412 18.412 19.012 -0.601 25137 9295 1 14 . 1 1 46 46 ALA H H 46 7.360 7.360 7.538 -0.178 25137 9296 1 14 . 1 1 47 47 ASP N N 47 115.277 115.277 119.024 -3.747 25137 9297 1 14 . 1 1 47 47 ASP HA H 47 4.610 4.610 4.536 0.074 25137 9298 1 14 . 1 1 47 47 ASP C C 47 175.930 175.930 176.963 -1.033 25137 9299 1 14 . 1 1 47 47 ASP CA C 47 55.087 55.087 55.861 -0.774 25137 9300 1 14 . 1 1 47 47 ASP CB C 47 42.364 42.364 41.939 0.425 25137 9301 1 14 . 1 1 47 47 ASP H H 47 7.583 7.583 8.439 -0.856 25137 9302 1 14 . 1 1 48 48 ASN N N 48 116.977 116.977 116.786 0.191 25137 9303 1 14 . 1 1 48 48 ASN HA H 48 5.219 5.219 5.080 0.139 25137 9304 1 14 . 1 1 48 48 ASN CA C 48 51.096 51.096 51.195 -0.099 25137 9305 1 14 . 1 1 48 48 ASN CB C 48 42.381 42.381 39.839 2.542 25137 9306 1 14 . 1 1 48 48 ASN H H 48 7.727 7.727 8.278 -0.551 25137 9307 1 14 . 1 1 49 49 PRO HA H 49 4.551 4.551 4.637 -0.086 25137 9308 1 14 . 1 1 49 49 PRO C C 49 174.890 174.890 175.469 -0.579 25137 9309 1 14 . 1 1 49 49 PRO CA C 49 62.093 62.093 62.227 -0.135 25137 9310 1 14 . 1 1 49 49 PRO CB C 49 29.940 29.940 31.098 -1.158 25137 9311 1 14 . 1 1 50 50 ILE N N 50 122.280 122.280 124.585 -2.305 25137 9312 1 14 . 1 1 50 50 ILE HA H 50 3.908 3.908 3.895 0.013 25137 9313 1 14 . 1 1 50 50 ILE C C 50 174.840 174.840 175.859 -1.019 25137 9314 1 14 . 1 1 50 50 ILE CA C 50 58.580 58.580 60.816 -2.236 25137 9315 1 14 . 1 1 50 50 ILE CB C 50 38.850 38.850 36.650 2.200 25137 9316 1 14 . 1 1 50 50 ILE H H 50 7.420 7.420 7.900 -0.480 25137 9317 1 14 . 1 1 51 51 ASP N N 51 123.770 123.770 126.680 -2.910 25137 9318 1 14 . 1 1 51 51 ASP HA H 51 4.749 4.749 4.572 0.177 25137 9319 1 14 . 1 1 51 51 ASP C C 51 175.114 175.114 175.845 -0.731 25137 9320 1 14 . 1 1 51 51 ASP CA C 51 56.930 56.930 56.458 0.472 25137 9321 1 14 . 1 1 51 51 ASP CB C 51 44.360 44.360 42.986 1.374 25137 9322 1 14 . 1 1 51 51 ASP H H 51 9.310 9.310 8.503 0.807 25137 9323 1 14 . 1 1 52 52 VAL N N 52 114.454 114.454 115.488 -1.034 25137 9324 1 14 . 1 1 52 52 VAL HA H 52 4.874 4.874 4.771 0.103 25137 9325 1 14 . 1 1 52 52 VAL C C 52 171.129 171.129 173.094 -1.965 25137 9326 1 14 . 1 1 52 52 VAL CA C 52 59.850 59.850 60.064 -0.214 25137 9327 1 14 . 1 1 52 52 VAL CB C 52 32.980 32.980 34.896 -1.916 25137 9328 1 14 . 1 1 52 52 VAL H H 52 7.580 7.580 7.581 -0.001 25137 9329 1 14 . 1 1 53 53 ALA N N 53 124.620 124.620 126.664 -2.044 25137 9330 1 14 . 1 1 53 53 ALA HA H 53 5.665 5.665 5.397 0.268 25137 9331 1 14 . 1 1 53 53 ALA C C 53 175.100 175.100 175.187 -0.087 25137 9332 1 14 . 1 1 53 53 ALA CA C 53 49.810 49.810 50.003 -0.193 25137 9333 1 14 . 1 1 53 53 ALA CB C 53 25.750 25.750 22.940 2.810 25137 9334 1 14 . 1 1 53 53 ALA H H 53 7.780 7.780 8.840 -1.060 25137 9335 1 14 . 1 1 54 54 VAL N N 54 118.950 118.950 116.658 2.292 25137 9336 1 14 . 1 1 54 54 VAL HA H 54 4.647 4.647 4.827 -0.180 25137 9337 1 14 . 1 1 54 54 VAL C C 54 174.020 174.020 174.342 -0.322 25137 9338 1 14 . 1 1 54 54 VAL CA C 54 61.580 61.580 61.020 0.560 25137 9339 1 14 . 1 1 54 54 VAL CB C 54 34.320 34.320 33.847 0.473 25137 9340 1 14 . 1 1 54 54 VAL H H 54 8.730 8.730 9.018 -0.288 25137 9341 1 14 . 1 1 55 55 LEU N N 55 124.820 124.820 128.529 -3.709 25137 9342 1 14 . 1 1 55 55 LEU HA H 55 4.953 4.953 4.582 0.371 25137 9343 1 14 . 1 1 55 55 LEU C C 55 176.110 176.110 175.614 0.496 25137 9344 1 14 . 1 1 55 55 LEU CA C 55 53.540 53.540 54.231 -0.691 25137 9345 1 14 . 1 1 55 55 LEU CB C 55 42.690 42.690 41.873 0.817 25137 9346 1 14 . 1 1 55 55 LEU H H 55 9.240 9.240 9.307 -0.067 25137 9347 1 14 . 1 1 56 56 ASP N N 56 124.220 124.220 126.492 -2.272 25137 9348 1 14 . 1 1 56 56 ASP HA H 56 5.629 5.629 5.117 0.512 25137 9349 1 14 . 1 1 56 56 ASP C C 56 174.460 174.460 176.572 -2.112 25137 9350 1 14 . 1 1 56 56 ASP CA C 56 52.930 52.930 55.309 -2.380 25137 9351 1 14 . 1 1 56 56 ASP CB C 56 43.400 43.400 40.433 2.967 25137 9352 1 14 . 1 1 56 56 ASP H H 56 8.360 8.360 8.605 -0.245 25137 9353 1 14 . 1 1 57 57 VAL N N 57 119.581 119.581 120.259 -0.678 25137 9354 1 14 . 1 1 57 57 VAL HA H 57 4.239 4.239 3.635 0.604 25137 9355 1 14 . 1 1 57 57 VAL C C 57 175.480 175.480 176.843 -1.363 25137 9356 1 14 . 1 1 57 57 VAL CA C 57 64.564 64.564 64.372 0.192 25137 9357 1 14 . 1 1 57 57 VAL CB C 57 32.520 32.520 31.659 0.861 25137 9358 1 14 . 1 1 57 57 VAL H H 57 7.022 7.022 7.841 -0.819 25137 9359 1 14 . 1 1 58 58 ASN N N 58 114.490 114.490 116.225 -1.735 25137 9360 1 14 . 1 1 58 58 ASN HA H 58 4.693 4.693 4.639 0.054 25137 9361 1 14 . 1 1 58 58 ASN C C 58 173.400 173.400 175.180 -1.780 25137 9362 1 14 . 1 1 58 58 ASN CA C 58 53.570 53.570 52.602 0.968 25137 9363 1 14 . 1 1 58 58 ASN CB C 58 38.820 38.820 37.225 1.595 25137 9364 1 14 . 1 1 58 58 ASN H H 58 8.600 8.600 7.965 0.635 25137 9365 1 14 . 1 1 59 59 LEU N N 59 130.670 130.670 119.153 11.517 25137 9366 1 14 . 1 1 59 59 LEU HA H 59 4.647 4.647 4.467 0.180 25137 9367 1 14 . 1 1 59 59 LEU C C 59 175.340 175.340 177.683 -2.343 25137 9368 1 14 . 1 1 59 59 LEU CA C 59 53.550 53.550 56.058 -2.508 25137 9369 1 14 . 1 1 59 59 LEU CB C 59 41.430 41.430 42.750 -1.320 25137 9370 1 14 . 1 1 59 59 LEU H H 59 8.260 8.260 8.018 0.242 25137 9371 1 14 . 1 1 60 60 GLY N N 60 109.030 109.030 104.071 4.959 25137 9372 1 14 . 1 1 60 60 GLY CA C 60 44.610 44.610 45.211 -0.601 25137 9373 1 14 . 1 1 60 60 GLY H H 60 7.860 7.860 7.652 0.208 25137 9374 1 14 . 1 1 61 61 PRO HA H 61 4.385 4.385 4.273 0.112 25137 9375 1 14 . 1 1 61 61 PRO C C 61 177.960 177.960 177.896 0.064 25137 9376 1 14 . 1 1 61 61 PRO CA C 61 64.888 64.888 65.128 -0.240 25137 9377 1 14 . 1 1 61 61 PRO CB C 61 32.070 32.070 32.277 -0.207 25137 9378 1 14 . 1 1 62 62 LYS N N 62 115.984 115.984 115.107 0.877 25137 9379 1 14 . 1 1 62 62 LYS HA H 62 4.524 4.524 4.610 -0.086 25137 9380 1 14 . 1 1 62 62 LYS C C 62 175.810 175.810 176.056 -0.246 25137 9381 1 14 . 1 1 62 62 LYS CA C 62 55.444 55.444 56.200 -0.756 25137 9382 1 14 . 1 1 62 62 LYS CB C 62 33.216 33.216 33.367 -0.151 25137 9383 1 14 . 1 1 62 62 LYS H H 62 8.625 8.625 8.135 0.490 25137 9384 1 14 . 1 1 63 63 SER N N 63 113.432 113.432 117.664 -4.232 25137 9385 1 14 . 1 1 63 63 SER HA H 63 4.609 4.609 4.328 0.281 25137 9386 1 14 . 1 1 63 63 SER C C 63 172.560 172.560 173.421 -0.861 25137 9387 1 14 . 1 1 63 63 SER CA C 63 57.715 57.715 59.865 -2.150 25137 9388 1 14 . 1 1 63 63 SER CB C 63 64.866 64.866 63.325 1.541 25137 9389 1 14 . 1 1 63 63 SER H H 63 7.389 7.389 7.947 -0.558 25137 9390 1 14 . 1 1 64 64 HIS N N 64 122.580 122.580 118.776 3.804 25137 9391 1 14 . 1 1 64 64 HIS HA H 64 5.833 5.833 5.032 0.801 25137 9392 1 14 . 1 1 64 64 HIS C C 64 176.210 176.210 174.617 1.593 25137 9393 1 14 . 1 1 64 64 HIS CA C 64 54.006 54.006 54.302 -0.296 25137 9394 1 14 . 1 1 64 64 HIS CB C 64 34.092 34.092 33.178 0.914 25137 9395 1 14 . 1 1 64 64 HIS H H 64 7.762 7.762 7.751 0.011 25137 9396 1 14 . 1 1 65 65 CYS N N 65 111.478 111.478 122.765 -11.287 25137 9397 1 14 . 1 1 65 65 CYS HA H 65 4.342 4.342 4.492 -0.150 25137 9398 1 14 . 1 1 65 65 CYS C C 65 175.881 175.881 175.202 0.679 25137 9399 1 14 . 1 1 65 65 CYS CA C 65 57.980 57.980 59.036 -1.056 25137 9400 1 14 . 1 1 65 65 CYS CB C 65 29.790 29.790 26.119 3.671 25137 9401 1 14 . 1 1 65 65 CYS H H 65 7.946 7.946 8.773 -0.827 25137 9402 1 14 . 1 1 66 66 GLY N N 66 120.340 120.340 112.366 7.974 25137 9403 1 14 . 1 1 66 66 GLY CA C 66 48.880 48.880 46.146 2.734 25137 9404 1 14 . 1 1 66 66 GLY H H 66 11.290 11.290 8.048 3.242 25137 9405 1 14 . 1 1 67 67 PRO HA H 67 4.386 4.386 4.405 -0.019 25137 9406 1 14 . 1 1 67 67 PRO C C 67 179.860 179.860 178.170 1.690 25137 9407 1 14 . 1 1 67 67 PRO CA C 67 65.388 65.388 65.156 0.232 25137 9408 1 14 . 1 1 67 67 PRO CB C 67 32.970 32.970 31.479 1.491 25137 9409 1 14 . 1 1 68 68 VAL N N 68 116.564 116.564 116.948 -0.384 25137 9410 1 14 . 1 1 68 68 VAL HA H 68 3.494 3.494 3.550 -0.056 25137 9411 1 14 . 1 1 68 68 VAL C C 68 176.350 176.350 177.436 -1.086 25137 9412 1 14 . 1 1 68 68 VAL CA C 68 64.839 64.839 66.126 -1.287 25137 9413 1 14 . 1 1 68 68 VAL CB C 68 31.396 31.396 31.144 0.252 25137 9414 1 14 . 1 1 68 68 VAL H H 68 7.471 7.471 7.922 -0.451 25137 9415 1 14 . 1 1 69 69 ALA N N 69 122.825 122.825 122.884 -0.059 25137 9416 1 14 . 1 1 69 69 ALA HA H 69 3.085 3.085 3.307 -0.222 25137 9417 1 14 . 1 1 69 69 ALA C C 69 179.280 179.280 179.123 0.157 25137 9418 1 14 . 1 1 69 69 ALA CA C 69 55.209 55.209 55.055 0.154 25137 9419 1 14 . 1 1 69 69 ALA CB C 69 18.141 18.141 18.196 -0.055 25137 9420 1 14 . 1 1 69 69 ALA H H 69 7.880 7.880 7.957 -0.077 25137 9421 1 14 . 1 1 70 70 ASP N N 70 116.269 116.269 119.799 -3.530 25137 9422 1 14 . 1 1 70 70 ASP HA H 70 4.314 4.314 4.247 0.067 25137 9423 1 14 . 1 1 70 70 ASP C C 70 178.300 178.300 178.430 -0.130 25137 9424 1 14 . 1 1 70 70 ASP CA C 70 57.530 57.530 58.515 -0.985 25137 9425 1 14 . 1 1 70 70 ASP CB C 70 40.582 40.582 40.404 0.178 25137 9426 1 14 . 1 1 70 70 ASP H H 70 8.316 8.316 7.613 0.703 25137 9427 1 14 . 1 1 71 71 ALA N N 71 122.771 122.771 122.625 0.146 25137 9428 1 14 . 1 1 71 71 ALA HA H 71 4.045 4.045 3.982 0.063 25137 9429 1 14 . 1 1 71 71 ALA C C 71 180.700 180.700 179.763 0.937 25137 9430 1 14 . 1 1 71 71 ALA CA C 71 55.062 55.062 55.110 -0.048 25137 9431 1 14 . 1 1 71 71 ALA CB C 71 18.675 18.675 18.352 0.323 25137 9432 1 14 . 1 1 71 71 ALA H H 71 7.156 7.156 8.077 -0.921 25137 9433 1 14 . 1 1 72 72 LEU N N 72 119.021 119.021 118.129 0.892 25137 9434 1 14 . 1 1 72 72 LEU HA H 72 3.824 3.824 3.805 0.019 25137 9435 1 14 . 1 1 72 72 LEU C C 72 179.560 179.560 179.442 0.118 25137 9436 1 14 . 1 1 72 72 LEU CA C 72 58.351 58.351 57.723 0.628 25137 9437 1 14 . 1 1 72 72 LEU CB C 72 40.437 40.437 41.421 -0.984 25137 9438 1 14 . 1 1 72 72 LEU H H 72 8.250 8.250 8.006 0.244 25137 9439 1 14 . 1 1 73 73 LYS N N 73 120.087 120.087 119.285 0.802 25137 9440 1 14 . 1 1 73 73 LYS HA H 73 4.431 4.431 4.088 0.343 25137 9441 1 14 . 1 1 73 73 LYS C C 73 181.310 181.310 179.693 1.617 25137 9442 1 14 . 1 1 73 73 LYS CA C 73 59.307 59.307 59.624 -0.317 25137 9443 1 14 . 1 1 73 73 LYS CB C 73 32.404 32.404 32.309 0.095 25137 9444 1 14 . 1 1 73 73 LYS H H 73 8.383 8.383 8.307 0.076 25137 9445 1 14 . 1 1 74 74 GLN N N 74 118.982 118.982 117.626 1.356 25137 9446 1 14 . 1 1 74 74 GLN HA H 74 4.074 4.074 4.178 -0.104 25137 9447 1 14 . 1 1 74 74 GLN C C 74 177.620 177.620 178.031 -0.411 25137 9448 1 14 . 1 1 74 74 GLN CA C 74 58.834 58.834 57.936 0.898 25137 9449 1 14 . 1 1 74 74 GLN CB C 74 28.505 28.505 28.589 -0.084 25137 9450 1 14 . 1 1 74 74 GLN H H 74 8.015 8.015 8.275 -0.260 25137 9451 1 14 . 1 1 75 75 ARG N N 75 116.770 116.770 116.543 0.227 25137 9452 1 14 . 1 1 75 75 ARG HA H 75 4.272 4.272 4.420 -0.148 25137 9453 1 14 . 1 1 75 75 ARG C C 75 174.310 174.310 175.194 -0.884 25137 9454 1 14 . 1 1 75 75 ARG CA C 75 55.950 55.950 55.420 0.530 25137 9455 1 14 . 1 1 75 75 ARG CB C 75 31.780 31.780 30.490 1.290 25137 9456 1 14 . 1 1 75 75 ARG H H 75 7.240 7.240 7.510 -0.270 25137 9457 1 14 . 1 1 76 76 ALA N N 76 122.020 122.020 120.418 1.602 25137 9458 1 14 . 1 1 76 76 ALA HA H 76 4.050 4.050 4.027 0.023 25137 9459 1 14 . 1 1 76 76 ALA C C 76 176.240 176.240 176.364 -0.124 25137 9460 1 14 . 1 1 76 76 ALA CA C 76 53.170 53.170 52.736 0.434 25137 9461 1 14 . 1 1 76 76 ALA CB C 76 16.650 16.650 17.056 -0.406 25137 9462 1 14 . 1 1 76 76 ALA H H 76 8.065 8.065 7.396 0.669 25137 9463 1 14 . 1 1 77 77 ILE N N 77 122.300 122.300 119.313 2.987 25137 9464 1 14 . 1 1 77 77 ILE HA H 77 4.502 4.502 4.328 0.174 25137 9465 1 14 . 1 1 77 77 ILE CA C 77 58.610 58.610 58.721 -0.111 25137 9466 1 14 . 1 1 77 77 ILE CB C 77 40.000 40.000 38.843 1.157 25137 9467 1 14 . 1 1 77 77 ILE H H 77 8.080 8.080 8.071 0.009 25137 9468 1 14 . 1 1 78 78 PRO HA H 78 4.454 4.454 4.528 -0.074 25137 9469 1 14 . 1 1 78 78 PRO C C 78 174.680 174.680 175.458 -0.778 25137 9470 1 14 . 1 1 78 78 PRO CA C 78 62.622 62.622 62.679 -0.057 25137 9471 1 14 . 1 1 78 78 PRO CB C 78 32.772 32.772 32.109 0.663 25137 9472 1 14 . 1 1 79 79 PHE N N 79 109.800 109.800 116.547 -6.747 25137 9473 1 14 . 1 1 79 79 PHE HA H 79 5.656 5.656 5.680 -0.024 25137 9474 1 14 . 1 1 79 79 PHE C C 79 172.780 172.780 173.677 -0.897 25137 9475 1 14 . 1 1 79 79 PHE CA C 79 55.612 55.612 55.647 -0.035 25137 9476 1 14 . 1 1 79 79 PHE CB C 79 42.181 42.181 42.513 -0.332 25137 9477 1 14 . 1 1 79 79 PHE H H 79 7.463 7.463 7.833 -0.370 25137 9478 1 14 . 1 1 80 80 ILE N N 80 114.746 114.746 120.340 -5.594 25137 9479 1 14 . 1 1 80 80 ILE HA H 80 4.545 4.545 4.629 -0.084 25137 9480 1 14 . 1 1 80 80 ILE C C 80 174.750 174.750 175.305 -0.555 25137 9481 1 14 . 1 1 80 80 ILE CA C 80 58.914 58.914 59.782 -0.868 25137 9482 1 14 . 1 1 80 80 ILE CB C 80 43.079 43.079 41.715 1.364 25137 9483 1 14 . 1 1 80 80 ILE H H 80 8.024 8.024 8.273 -0.249 25137 9484 1 14 . 1 1 81 81 LEU N N 81 124.450 124.450 127.029 -2.579 25137 9485 1 14 . 1 1 81 81 LEU HA H 81 5.470 5.470 5.075 0.395 25137 9486 1 14 . 1 1 81 81 LEU C C 81 175.620 175.620 176.122 -0.502 25137 9487 1 14 . 1 1 81 81 LEU CA C 81 53.345 53.345 53.135 0.210 25137 9488 1 14 . 1 1 81 81 LEU CB C 81 43.304 43.304 39.899 3.405 25137 9489 1 14 . 1 1 81 81 LEU H H 81 8.935 8.935 9.155 -0.220 25137 9490 1 14 . 1 1 82 82 HIS N N 82 126.167 126.167 126.648 -0.481 25137 9491 1 14 . 1 1 82 82 HIS HA H 82 5.880 5.880 5.769 0.111 25137 9492 1 14 . 1 1 82 82 HIS C C 82 172.730 172.730 174.515 -1.785 25137 9493 1 14 . 1 1 82 82 HIS CA C 82 52.947 52.947 53.901 -0.954 25137 9494 1 14 . 1 1 82 82 HIS CB C 82 31.171 31.171 31.696 -0.525 25137 9495 1 14 . 1 1 82 82 HIS H H 82 8.828 8.828 8.625 0.203 25137 9496 1 14 . 1 1 83 83 THR N N 83 114.001 114.001 121.450 -7.449 25137 9497 1 14 . 1 1 83 83 THR HA H 83 5.305 5.305 4.852 0.453 25137 9498 1 14 . 1 1 83 83 THR C C 83 172.800 172.800 174.206 -1.406 25137 9499 1 14 . 1 1 83 83 THR CA C 83 58.807 58.807 61.009 -2.202 25137 9500 1 14 . 1 1 83 83 THR CB C 83 69.366 69.366 70.409 -1.043 25137 9501 1 14 . 1 1 83 83 THR H H 83 7.252 7.252 8.917 -1.665 25137 9502 1 14 . 1 1 84 84 GLY N N 84 115.666 115.666 112.197 3.469 25137 9503 1 14 . 1 1 84 84 GLY C C 84 173.764 173.764 173.708 0.056 25137 9504 1 14 . 1 1 84 84 GLY CA C 84 45.284 45.284 44.961 0.323 25137 9505 1 14 . 1 1 84 84 GLY H H 84 8.483 8.483 9.346 -0.863 25137 9506 1 14 . 1 1 85 85 ASP N N 85 123.490 123.490 120.758 2.732 25137 9507 1 14 . 1 1 85 85 ASP HA H 85 4.982 4.982 4.862 0.120 25137 9508 1 14 . 1 1 85 85 ASP C C 85 175.829 175.829 175.783 0.046 25137 9509 1 14 . 1 1 85 85 ASP CA C 85 53.420 53.420 53.433 -0.013 25137 9510 1 14 . 1 1 85 85 ASP CB C 85 41.560 41.560 42.007 -0.447 25137 9511 1 14 . 1 1 85 85 ASP H H 85 8.510 8.510 7.934 0.576 25137 9512 1 14 . 1 1 86 86 LEU N N 86 122.010 122.010 124.773 -2.763 25137 9513 1 14 . 1 1 86 86 LEU HA H 86 3.997 3.997 4.493 -0.496 25137 9514 1 14 . 1 1 86 86 LEU C C 86 178.242 178.242 176.976 1.266 25137 9515 1 14 . 1 1 86 86 LEU CA C 86 57.410 57.410 56.071 1.339 25137 9516 1 14 . 1 1 86 86 LEU CB C 86 42.000 42.000 43.162 -1.162 25137 9517 1 14 . 1 1 86 86 LEU H H 86 8.210 8.210 8.573 -0.363 25137 9518 1 14 . 1 1 87 87 ASP N N 87 117.260 117.260 117.866 -0.606 25137 9519 1 14 . 1 1 87 87 ASP HA H 87 4.535 4.535 4.406 0.129 25137 9520 1 14 . 1 1 87 87 ASP C C 87 178.351 178.351 178.351 0.000 25137 9521 1 14 . 1 1 87 87 ASP CA C 87 56.010 56.010 57.408 -1.398 25137 9522 1 14 . 1 1 87 87 ASP CB C 87 41.400 41.400 41.163 0.238 25137 9523 1 14 . 1 1 87 87 ASP H H 87 8.290 8.290 8.295 -0.005 25137 9524 1 14 . 1 1 88 88 ARG N N 88 120.750 120.750 119.671 1.079 25137 9525 1 14 . 1 1 88 88 ARG HA H 88 4.015 4.015 4.063 -0.048 25137 9526 1 14 . 1 1 88 88 ARG C C 88 177.300 177.300 177.150 0.150 25137 9527 1 14 . 1 1 88 88 ARG CA C 88 58.340 58.340 58.202 0.138 25137 9528 1 14 . 1 1 88 88 ARG CB C 88 30.460 30.460 29.935 0.525 25137 9529 1 14 . 1 1 88 88 ARG H H 88 8.040 8.040 8.055 -0.015 25137 9530 1 14 . 1 1 89 89 HIS N N 89 115.580 115.580 115.210 0.370 25137 9531 1 14 . 1 1 89 89 HIS HA H 89 5.026 5.026 4.791 0.235 25137 9532 1 14 . 1 1 89 89 HIS C C 89 175.670 175.670 175.478 0.192 25137 9533 1 14 . 1 1 89 89 HIS CA C 89 55.300 55.300 55.595 -0.295 25137 9534 1 14 . 1 1 89 89 HIS CB C 89 29.890 29.890 30.011 -0.121 25137 9535 1 14 . 1 1 89 89 HIS H H 89 7.900 7.900 8.311 -0.411 25137 9536 1 14 . 1 1 90 90 GLY N N 90 108.320 108.320 109.055 -0.735 25137 9537 1 14 . 1 1 90 90 GLY C C 90 175.880 175.880 175.660 0.220 25137 9538 1 14 . 1 1 90 90 GLY CA C 90 48.310 48.310 47.337 0.974 25137 9539 1 14 . 1 1 90 90 GLY H H 90 7.790 7.790 7.815 -0.025 25137 9540 1 14 . 1 1 91 91 GLU N N 91 120.490 120.490 120.561 -0.071 25137 9541 1 14 . 1 1 91 91 GLU HA H 91 4.043 4.043 4.025 0.018 25137 9542 1 14 . 1 1 91 91 GLU C C 91 178.410 178.410 178.752 -0.342 25137 9543 1 14 . 1 1 91 91 GLU CA C 91 59.200 59.200 59.417 -0.217 25137 9544 1 14 . 1 1 91 91 GLU CB C 91 29.240 29.240 28.818 0.422 25137 9545 1 14 . 1 1 91 91 GLU H H 91 8.580 8.580 8.405 0.175 25137 9546 1 14 . 1 1 92 92 LEU N N 92 121.740 121.740 120.703 1.037 25137 9547 1 14 . 1 1 92 92 LEU HA H 92 4.048 4.048 4.035 0.013 25137 9548 1 14 . 1 1 92 92 LEU C C 92 178.630 178.630 178.301 0.329 25137 9549 1 14 . 1 1 92 92 LEU CA C 92 57.690 57.690 57.603 0.087 25137 9550 1 14 . 1 1 92 92 LEU CB C 92 41.820 41.820 41.737 0.083 25137 9551 1 14 . 1 1 92 92 LEU H H 92 7.690 7.690 7.726 -0.036 25137 9552 1 14 . 1 1 93 93 LEU N N 93 117.310 117.310 118.745 -1.435 25137 9553 1 14 . 1 1 93 93 LEU HA H 93 3.881 3.881 3.827 0.054 25137 9554 1 14 . 1 1 93 93 LEU C C 93 174.967 174.967 179.186 -4.219 25137 9555 1 14 . 1 1 93 93 LEU CA C 93 57.940 57.940 58.307 -0.367 25137 9556 1 14 . 1 1 93 93 LEU CB C 93 40.640 40.640 41.198 -0.558 25137 9557 1 14 . 1 1 93 93 LEU H H 93 8.160 8.160 8.369 -0.209 25137 9558 1 14 . 1 1 94 94 ARG N N 94 117.940 117.940 117.152 0.788 25137 9559 1 14 . 1 1 94 94 ARG HA H 94 4.120 4.120 4.155 -0.035 25137 9560 1 14 . 1 1 94 94 ARG C C 94 177.870 177.870 178.069 -0.199 25137 9561 1 14 . 1 1 94 94 ARG CA C 94 58.450 58.450 58.673 -0.223 25137 9562 1 14 . 1 1 94 94 ARG CB C 94 30.370 30.370 30.218 0.152 25137 9563 1 14 . 1 1 94 94 ARG H H 94 7.770 7.770 7.544 0.226 25137 9564 1 14 . 1 1 95 95 LYS N N 95 118.380 118.380 118.725 -0.345 25137 9565 1 14 . 1 1 95 95 LYS HA H 95 4.160 4.160 4.126 0.034 25137 9566 1 14 . 1 1 95 95 LYS C C 95 177.730 177.730 178.250 -0.520 25137 9567 1 14 . 1 1 95 95 LYS CA C 95 57.600 57.600 58.881 -1.281 25137 9568 1 14 . 1 1 95 95 LYS CB C 95 32.770 32.770 32.791 -0.021 25137 9569 1 14 . 1 1 95 95 LYS H H 95 7.640 7.640 7.719 -0.079 25137 9570 1 14 . 1 1 96 96 ILE N N 96 120.160 120.160 117.725 2.435 25137 9571 1 14 . 1 1 96 96 ILE HA H 96 3.781 3.781 3.841 -0.060 25137 9572 1 14 . 1 1 96 96 ILE C C 96 175.840 175.840 176.172 -0.332 25137 9573 1 14 . 1 1 96 96 ILE CA C 96 63.720 63.720 64.679 -0.959 25137 9574 1 14 . 1 1 96 96 ILE CB C 96 38.670 38.670 38.734 -0.064 25137 9575 1 14 . 1 1 96 96 ILE H H 96 7.980 7.980 8.231 -0.251 25137 9576 1 14 . 1 1 97 97 ASP N N 97 120.510 120.510 118.745 1.765 25137 9577 1 14 . 1 1 97 97 ASP HA H 97 4.380 4.380 4.246 0.134 25137 9578 1 14 . 1 1 97 97 ASP C C 97 173.580 173.580 174.398 -0.818 25137 9579 1 14 . 1 1 97 97 ASP CA C 97 54.300 54.300 55.042 -0.743 25137 9580 1 14 . 1 1 97 97 ASP CB C 97 39.490 39.490 40.018 -0.528 25137 9581 1 14 . 1 1 97 97 ASP H H 97 8.160 8.160 8.106 0.054 25137 9582 1 14 . 1 1 98 98 ALA N N 98 123.800 123.800 124.199 -0.399 25137 9583 1 14 . 1 1 98 98 ALA HA H 98 4.550 4.550 4.567 -0.017 25137 9584 1 14 . 1 1 98 98 ALA CA C 98 49.860 49.860 50.986 -1.127 25137 9585 1 14 . 1 1 98 98 ALA CB C 98 21.070 21.070 20.114 0.956 25137 9586 1 14 . 1 1 98 98 ALA H H 98 7.680 7.680 8.047 -0.367 25137 9587 1 14 . 1 1 99 99 PRO HA H 99 4.370 4.370 4.502 -0.132 25137 9588 1 14 . 1 1 99 99 PRO C C 99 174.760 174.760 175.398 -0.638 25137 9589 1 14 . 1 1 99 99 PRO CA C 99 62.950 62.950 63.285 -0.334 25137 9590 1 14 . 1 1 99 99 PRO CB C 99 32.310 32.310 31.930 0.380 25137 9591 1 14 . 1 1 100 100 VAL N N 100 120.490 120.490 122.485 -1.995 25137 9592 1 14 . 1 1 100 100 VAL HA H 100 4.832 4.832 4.819 0.013 25137 9593 1 14 . 1 1 100 100 VAL C C 100 176.650 176.650 175.659 0.991 25137 9594 1 14 . 1 1 100 100 VAL CA C 100 60.450 60.450 61.740 -1.290 25137 9595 1 14 . 1 1 100 100 VAL CB C 100 34.830 34.830 34.258 0.572 25137 9596 1 14 . 1 1 100 100 VAL H H 100 8.270 8.270 8.315 -0.045 25137 9597 1 14 . 1 1 101 101 MET N N 101 127.420 127.420 127.275 0.145 25137 9598 1 14 . 1 1 101 101 MET HA H 101 4.705 4.705 4.845 -0.140 25137 9599 1 14 . 1 1 101 101 MET C C 101 174.490 174.490 174.902 -0.412 25137 9600 1 14 . 1 1 101 101 MET CA C 101 54.730 54.730 54.326 0.404 25137 9601 1 14 . 1 1 101 101 MET CB C 101 34.560 34.560 35.962 -1.402 25137 9602 1 14 . 1 1 101 101 MET H H 101 9.240 9.240 9.252 -0.012 25137 9603 1 14 . 1 1 102 102 ALA N N 102 128.590 128.590 127.032 1.558 25137 9604 1 14 . 1 1 102 102 ALA HA H 102 4.608 4.608 5.249 -0.641 25137 9605 1 14 . 1 1 102 102 ALA C C 102 177.935 177.935 177.490 0.445 25137 9606 1 14 . 1 1 102 102 ALA CA C 102 51.930 51.930 50.742 1.188 25137 9607 1 14 . 1 1 102 102 ALA CB C 102 19.040 19.040 20.192 -1.152 25137 9608 1 14 . 1 1 102 102 ALA H H 102 8.760 8.760 8.573 0.187 25137 9609 1 14 . 1 1 103 103 LYS N N 103 120.200 120.200 121.821 -1.621 25137 9610 1 14 . 1 1 103 103 LYS HA H 103 4.284 4.284 4.893 -0.609 25137 9611 1 14 . 1 1 103 103 LYS CA C 103 54.370 54.370 54.457 -0.087 25137 9612 1 14 . 1 1 103 103 LYS CB C 103 34.190 34.190 32.323 1.867 25137 9613 1 14 . 1 1 103 103 LYS H H 103 7.300 7.300 7.996 -0.696 25137 9614 1 14 . 1 1 104 104 PRO HA H 104 4.611 4.611 4.514 0.097 25137 9615 1 14 . 1 1 104 104 PRO C C 104 174.980 174.980 175.479 -0.499 25137 9616 1 14 . 1 1 104 104 PRO CA C 104 62.626 62.626 62.566 0.060 25137 9617 1 14 . 1 1 104 104 PRO CB C 104 33.867 33.867 32.231 1.636 25137 9618 1 14 . 1 1 105 105 ALA N N 105 125.082 125.082 124.311 0.771 25137 9619 1 14 . 1 1 105 105 ALA HA H 105 4.576 4.576 4.529 0.047 25137 9620 1 14 . 1 1 105 105 ALA C C 105 176.890 176.890 176.265 0.625 25137 9621 1 14 . 1 1 105 105 ALA CA C 105 51.177 51.177 51.547 -0.371 25137 9622 1 14 . 1 1 105 105 ALA CB C 105 21.735 21.735 21.079 0.656 25137 9623 1 14 . 1 1 105 105 ALA H H 105 8.668 8.668 8.214 0.454 25137 9624 1 14 . 1 1 106 106 ASP N N 106 122.306 122.306 123.708 -1.402 25137 9625 1 14 . 1 1 106 106 ASP HA H 106 4.636 4.636 4.624 0.012 25137 9626 1 14 . 1 1 106 106 ASP C C 106 178.383 178.383 177.851 0.532 25137 9627 1 14 . 1 1 106 106 ASP CA C 106 54.312 54.312 54.500 -0.188 25137 9628 1 14 . 1 1 106 106 ASP CB C 106 41.260 41.260 42.436 -1.176 25137 9629 1 14 . 1 1 106 106 ASP H H 106 8.867 8.867 8.542 0.325 25137 9630 1 14 . 1 1 107 107 THR N N 107 119.540 119.540 117.722 1.818 25137 9631 1 14 . 1 1 107 107 THR HA H 107 3.573 3.573 3.937 -0.364 25137 9632 1 14 . 1 1 107 107 THR C C 107 176.393 176.393 176.236 0.157 25137 9633 1 14 . 1 1 107 107 THR CA C 107 65.940 65.940 64.817 1.123 25137 9634 1 14 . 1 1 107 107 THR CB C 107 68.191 68.191 68.864 -0.673 25137 9635 1 14 . 1 1 107 107 THR H H 107 8.658 8.658 8.401 0.257 25137 9636 1 14 . 1 1 108 108 SER N N 108 117.095 117.095 116.852 0.243 25137 9637 1 14 . 1 1 108 108 SER HA H 108 4.140 4.140 4.015 0.125 25137 9638 1 14 . 1 1 108 108 SER C C 108 176.143 176.143 175.930 0.213 25137 9639 1 14 . 1 1 108 108 SER CA C 108 61.650 61.650 61.744 -0.094 25137 9640 1 14 . 1 1 108 108 SER CB C 108 62.450 62.450 62.997 -0.547 25137 9641 1 14 . 1 1 108 108 SER H H 108 8.480 8.480 8.116 0.364 25137 9642 1 14 . 1 1 109 109 ASP N N 109 122.520 122.520 122.516 0.004 25137 9643 1 14 . 1 1 109 109 ASP HA H 109 4.400 4.400 4.348 0.052 25137 9644 1 14 . 1 1 109 109 ASP C C 109 178.499 178.499 178.487 0.012 25137 9645 1 14 . 1 1 109 109 ASP CA C 109 56.990 56.990 57.764 -0.774 25137 9646 1 14 . 1 1 109 109 ASP CB C 109 40.560 40.560 40.888 -0.328 25137 9647 1 14 . 1 1 109 109 ASP H H 109 7.350 7.350 7.619 -0.269 25137 9648 1 14 . 1 1 110 110 VAL N N 110 120.210 120.210 120.397 -0.187 25137 9649 1 14 . 1 1 110 110 VAL HA H 110 3.262 3.262 3.667 -0.405 25137 9650 1 14 . 1 1 110 110 VAL C C 110 176.535 176.535 178.389 -1.854 25137 9651 1 14 . 1 1 110 110 VAL CA C 110 66.090 66.090 65.689 0.401 25137 9652 1 14 . 1 1 110 110 VAL CB C 110 31.400 31.400 31.460 -0.060 25137 9653 1 14 . 1 1 110 110 VAL H H 110 7.440 7.440 8.043 -0.603 25137 9654 1 14 . 1 1 111 111 ALA N N 111 118.790 118.790 121.778 -2.988 25137 9655 1 14 . 1 1 111 111 ALA HA H 111 3.264 3.264 2.722 0.542 25137 9656 1 14 . 1 1 111 111 ALA C C 111 179.030 179.030 179.112 -0.082 25137 9657 1 14 . 1 1 111 111 ALA CA C 111 54.590 54.590 54.763 -0.173 25137 9658 1 14 . 1 1 111 111 ALA CB C 111 16.480 16.480 17.486 -1.006 25137 9659 1 14 . 1 1 111 111 ALA H H 111 7.610 7.610 7.856 -0.246 25137 9660 1 14 . 1 1 112 112 LYS N N 112 115.540 115.540 118.124 -2.584 25137 9661 1 14 . 1 1 112 112 LYS HA H 112 3.750 3.750 3.944 -0.194 25137 9662 1 14 . 1 1 112 112 LYS C C 112 179.470 179.470 179.288 0.182 25137 9663 1 14 . 1 1 112 112 LYS CA C 112 60.020 60.020 59.541 0.479 25137 9664 1 14 . 1 1 112 112 LYS CB C 112 32.680 32.680 32.299 0.381 25137 9665 1 14 . 1 1 112 112 LYS H H 112 7.840 7.840 8.012 -0.172 25137 9666 1 14 . 1 1 113 113 ARG N N 113 118.590 118.590 117.584 1.006 25137 9667 1 14 . 1 1 113 113 ARG HA H 113 4.021 4.021 4.444 -0.423 25137 9668 1 14 . 1 1 113 113 ARG C C 113 179.120 179.120 178.528 0.592 25137 9669 1 14 . 1 1 113 113 ARG CA C 113 58.180 58.180 57.822 0.358 25137 9670 1 14 . 1 1 113 113 ARG CB C 113 29.530 29.530 29.664 -0.134 25137 9671 1 14 . 1 1 113 113 ARG H H 113 7.860 7.860 8.363 -0.503 25137 9672 1 14 . 1 1 114 114 ALA N N 114 120.520 120.520 121.850 -1.330 25137 9673 1 14 . 1 1 114 114 ALA HA H 114 4.046 4.046 4.288 -0.242 25137 9674 1 14 . 1 1 114 114 ALA C C 114 179.280 179.280 179.398 -0.118 25137 9675 1 14 . 1 1 114 114 ALA CA C 114 55.070 55.070 54.745 0.325 25137 9676 1 14 . 1 1 114 114 ALA CB C 114 17.920 17.920 19.188 -1.268 25137 9677 1 14 . 1 1 114 114 ALA H H 114 8.190 8.190 7.502 0.688 25137 9678 1 14 . 1 1 115 115 LEU N N 115 115.820 115.820 118.597 -2.777 25137 9679 1 14 . 1 1 115 115 LEU HA H 115 4.225 4.225 4.232 -0.007 25137 9680 1 14 . 1 1 115 115 LEU C C 115 180.490 180.490 179.304 1.186 25137 9681 1 14 . 1 1 115 115 LEU CA C 115 57.600 57.600 57.060 0.540 25137 9682 1 14 . 1 1 115 115 LEU CB C 115 40.590 40.590 41.886 -1.296 25137 9683 1 14 . 1 1 115 115 LEU H H 115 8.320 8.320 8.591 -0.271 25137 9684 1 14 . 1 1 116 116 GLU N N 116 119.789 119.789 119.182 0.607 25137 9685 1 14 . 1 1 116 116 GLU HA H 116 4.109 4.109 4.064 0.045 25137 9686 1 14 . 1 1 116 116 GLU C C 116 178.790 178.790 178.821 -0.031 25137 9687 1 14 . 1 1 116 116 GLU CA C 116 58.625 58.625 58.855 -0.230 25137 9688 1 14 . 1 1 116 116 GLU CB C 116 29.548 29.548 28.994 0.554 25137 9689 1 14 . 1 1 116 116 GLU H H 116 7.904 7.904 8.279 -0.375 25137 9690 1 14 . 1 1 117 117 MET N N 117 116.426 116.426 118.303 -1.877 25137 9691 1 14 . 1 1 117 117 MET HA H 117 4.245 4.245 4.338 -0.093 25137 9692 1 14 . 1 1 117 117 MET C C 117 176.890 176.890 177.634 -0.744 25137 9693 1 14 . 1 1 117 117 MET CA C 117 57.638 57.638 58.633 -0.995 25137 9694 1 14 . 1 1 117 117 MET CB C 117 33.467 33.467 33.182 0.285 25137 9695 1 14 . 1 1 117 117 MET H H 117 7.712 7.712 7.571 0.141 25137 9696 1 14 . 1 1 118 118 CYS N N 118 113.993 113.993 114.969 -0.976 25137 9697 1 14 . 1 1 118 118 CYS HA H 118 4.699 4.699 4.579 0.120 25137 9698 1 14 . 1 1 118 118 CYS C C 118 174.750 174.750 177.664 -2.914 25137 9699 1 14 . 1 1 118 118 CYS CA C 118 58.541 58.541 59.086 -0.545 25137 9700 1 14 . 1 1 118 118 CYS CB C 118 28.552 28.552 27.300 1.252 25137 9701 1 14 . 1 1 118 118 CYS H H 118 7.428 7.428 7.563 -0.135 25137 9702 1 14 . 1 1 119 119 GLY N N 119 109.823 109.823 108.994 0.829 25137 9703 1 14 . 1 1 119 119 GLY C C 119 174.660 174.660 174.831 -0.171 25137 9704 1 14 . 1 1 119 119 GLY CA C 119 45.709 45.709 46.090 -0.381 25137 9705 1 14 . 1 1 119 119 GLY H H 119 8.056 8.056 8.323 -0.267 25137 9706 1 14 . 1 1 120 120 GLY N N 120 108.821 108.821 109.867 -1.046 25137 9707 1 14 . 1 1 120 120 GLY C C 120 173.790 173.790 173.412 0.378 25137 9708 1 14 . 1 1 120 120 GLY CA C 120 45.326 45.326 44.605 0.721 25137 9709 1 14 . 1 1 120 120 GLY H H 120 8.301 8.301 7.422 0.879 25137 9710 1 14 . 1 1 121 121 ASP N N 121 120.383 120.383 120.303 0.080 25137 9711 1 14 . 1 1 121 121 ASP HA H 121 4.591 4.591 4.645 -0.054 25137 9712 1 14 . 1 1 121 121 ASP C C 121 176.160 176.160 175.700 0.460 25137 9713 1 14 . 1 1 121 121 ASP CA C 121 54.313 54.313 54.367 -0.054 25137 9714 1 14 . 1 1 121 121 ASP CB C 121 41.079 41.079 41.641 -0.562 25137 9715 1 14 . 1 1 121 121 ASP H H 121 8.438 8.438 7.782 0.656 25137 9716 1 14 . 1 1 122 122 LYS N N 122 121.450 121.450 122.472 -1.022 25137 9717 1 14 . 1 1 122 122 LYS HA H 122 4.350 4.350 4.460 -0.110 25137 9718 1 14 . 1 1 122 122 LYS C C 122 177.184 177.184 174.731 2.453 25137 9719 1 14 . 1 1 122 122 LYS CA C 122 55.890 55.890 56.071 -0.181 25137 9720 1 14 . 1 1 122 122 LYS CB C 122 33.190 33.190 34.516 -1.326 25137 9721 1 14 . 1 1 122 122 LYS H H 122 8.258 8.258 8.292 -0.034 25137 9722 1 14 . 1 1 123 123 GLU N N 123 123.560 123.560 122.450 1.110 25137 9723 1 14 . 1 1 123 123 GLU HA H 123 4.550 4.550 4.381 0.169 25137 9724 1 14 . 1 1 123 123 GLU CA C 123 54.470 54.470 55.536 -1.067 25137 9725 1 14 . 1 1 123 123 GLU CB C 123 29.640 29.640 29.657 -0.017 25137 9726 1 14 . 1 1 123 123 GLU H H 123 8.420 8.420 8.521 -0.101 25137 9727 1 14 . 1 1 124 124 PRO HA H 124 4.384 4.384 4.342 0.042 25137 9728 1 14 . 1 1 124 124 PRO C C 124 175.770 175.770 175.356 0.414 25137 9729 1 14 . 1 1 124 124 PRO CA C 124 63.350 63.350 63.053 0.297 25137 9730 1 14 . 1 1 124 124 PRO CB C 124 32.300 32.300 30.202 2.098 25137 9731 1 15 . 1 1 2 2 ALA N N 2 123.423 123.423 121.826 1.597 25137 9732 1 15 . 1 1 2 2 ALA HA H 2 4.357 4.357 4.167 0.190 25137 9733 1 15 . 1 1 2 2 ALA C C 2 177.811 177.811 176.861 0.950 25137 9734 1 15 . 1 1 2 2 ALA CA C 2 52.652 52.652 52.441 0.211 25137 9735 1 15 . 1 1 2 2 ALA CB C 2 19.488 19.488 18.635 0.853 25137 9736 1 15 . 1 1 2 2 ALA H H 2 7.983 7.983 8.173 -0.190 25137 9737 1 15 . 1 1 3 3 MET N N 3 119.390 119.390 120.138 -0.748 25137 9738 1 15 . 1 1 3 3 MET HA H 3 4.482 4.482 4.596 -0.114 25137 9739 1 15 . 1 1 3 3 MET C C 3 176.569 176.569 175.881 0.688 25137 9740 1 15 . 1 1 3 3 MET CA C 3 55.570 55.570 54.829 0.741 25137 9741 1 15 . 1 1 3 3 MET CB C 3 32.900 32.900 32.227 0.673 25137 9742 1 15 . 1 1 3 3 MET H H 3 8.570 8.570 8.223 0.347 25137 9743 1 15 . 1 1 4 4 GLY N N 4 110.130 110.130 112.454 -2.324 25137 9744 1 15 . 1 1 4 4 GLY C C 4 173.630 173.630 175.334 -1.704 25137 9745 1 15 . 1 1 4 4 GLY CA C 4 45.270 45.270 44.761 0.509 25137 9746 1 15 . 1 1 4 4 GLY H H 4 8.370 8.370 8.266 0.104 25137 9747 1 15 . 1 1 5 5 MET N N 5 121.570 121.570 121.149 0.421 25137 9748 1 15 . 1 1 5 5 MET HA H 5 4.780 4.780 4.621 0.159 25137 9749 1 15 . 1 1 5 5 MET CA C 5 53.630 53.630 52.351 1.279 25137 9750 1 15 . 1 1 5 5 MET CB C 5 33.140 33.140 31.258 1.882 25137 9751 1 15 . 1 1 5 5 MET H H 5 8.210 8.210 8.014 0.196 25137 9752 1 15 . 1 1 6 6 PRO HA H 6 4.505 4.505 4.457 0.048 25137 9753 1 15 . 1 1 6 6 PRO C C 6 174.520 174.520 175.767 -1.247 25137 9754 1 15 . 1 1 6 6 PRO CA C 6 62.980 62.980 62.542 0.438 25137 9755 1 15 . 1 1 6 6 PRO CB C 6 32.400 32.400 32.189 0.211 25137 9756 1 15 . 1 1 7 7 LYS N N 7 123.443 123.443 126.261 -2.818 25137 9757 1 15 . 1 1 7 7 LYS HA H 7 5.000 5.000 4.706 0.294 25137 9758 1 15 . 1 1 7 7 LYS C C 7 175.920 175.920 176.064 -0.144 25137 9759 1 15 . 1 1 7 7 LYS CA C 7 54.911 54.911 55.176 -0.265 25137 9760 1 15 . 1 1 7 7 LYS CB C 7 33.635 33.635 32.439 1.196 25137 9761 1 15 . 1 1 7 7 LYS H H 7 9.675 9.675 9.285 0.390 25137 9762 1 15 . 1 1 8 8 VAL N N 8 125.859 125.859 128.129 -2.270 25137 9763 1 15 . 1 1 8 8 VAL HA H 8 4.723 4.723 4.891 -0.168 25137 9764 1 15 . 1 1 8 8 VAL C C 8 174.630 174.630 174.010 0.620 25137 9765 1 15 . 1 1 8 8 VAL CA C 8 59.726 59.726 60.907 -1.181 25137 9766 1 15 . 1 1 8 8 VAL CB C 8 34.991 34.991 33.135 1.856 25137 9767 1 15 . 1 1 8 8 VAL H H 8 8.851 8.851 9.082 -0.231 25137 9768 1 15 . 1 1 9 9 LEU N N 9 127.114 127.114 130.321 -3.207 25137 9769 1 15 . 1 1 9 9 LEU HA H 9 5.190 5.190 4.656 0.534 25137 9770 1 15 . 1 1 9 9 LEU C C 9 174.090 174.090 174.544 -0.454 25137 9771 1 15 . 1 1 9 9 LEU CA C 9 53.090 53.090 53.199 -0.109 25137 9772 1 15 . 1 1 9 9 LEU CB C 9 45.007 45.007 43.901 1.106 25137 9773 1 15 . 1 1 9 9 LEU H H 9 7.881 7.881 8.771 -0.890 25137 9774 1 15 . 1 1 10 10 VAL N N 10 128.024 128.024 128.770 -0.746 25137 9775 1 15 . 1 1 10 10 VAL HA H 10 4.647 4.647 4.565 0.082 25137 9776 1 15 . 1 1 10 10 VAL C C 10 172.900 172.900 174.255 -1.355 25137 9777 1 15 . 1 1 10 10 VAL CA C 10 61.206 61.206 62.139 -0.933 25137 9778 1 15 . 1 1 10 10 VAL CB C 10 34.541 34.541 32.917 1.624 25137 9779 1 15 . 1 1 10 10 VAL H H 10 8.952 8.952 9.091 -0.139 25137 9780 1 15 . 1 1 11 11 LEU N N 11 128.979 128.979 130.039 -1.060 25137 9781 1 15 . 1 1 11 11 LEU HA H 11 5.504 5.504 5.537 -0.033 25137 9782 1 15 . 1 1 11 11 LEU C C 11 174.450 174.450 175.556 -1.106 25137 9783 1 15 . 1 1 11 11 LEU CA C 11 52.328 52.328 53.250 -0.922 25137 9784 1 15 . 1 1 11 11 LEU CB C 11 45.000 45.000 42.077 2.923 25137 9785 1 15 . 1 1 11 11 LEU H H 11 8.433 8.433 9.198 -0.765 25137 9786 1 15 . 1 1 12 12 GLU N N 12 128.158 128.158 125.477 2.681 25137 9787 1 15 . 1 1 12 12 GLU HA H 12 4.294 4.294 4.643 -0.349 25137 9788 1 15 . 1 1 12 12 GLU C C 12 173.120 173.120 174.157 -1.037 25137 9789 1 15 . 1 1 12 12 GLU CA C 12 56.964 56.964 55.745 1.219 25137 9790 1 15 . 1 1 12 12 GLU CB C 12 32.201 32.201 33.455 -1.254 25137 9791 1 15 . 1 1 12 12 GLU H H 12 8.532 8.532 8.930 -0.398 25137 9792 1 15 . 1 1 13 13 ASP N N 13 123.077 123.077 120.039 3.038 25137 9793 1 15 . 1 1 13 13 ASP HA H 13 4.659 4.659 4.694 -0.035 25137 9794 1 15 . 1 1 13 13 ASP C C 13 176.090 176.090 175.933 0.157 25137 9795 1 15 . 1 1 13 13 ASP CA C 13 55.140 55.140 54.493 0.647 25137 9796 1 15 . 1 1 13 13 ASP CB C 13 40.524 40.524 42.007 -1.483 25137 9797 1 15 . 1 1 13 13 ASP H H 13 8.803 8.803 8.505 0.298 25137 9798 1 15 . 1 1 14 14 GLU N N 14 126.685 126.685 120.885 5.800 25137 9799 1 15 . 1 1 14 14 GLU HA H 14 4.809 4.809 4.777 0.032 25137 9800 1 15 . 1 1 14 14 GLU CA C 14 54.574 54.574 53.630 0.944 25137 9801 1 15 . 1 1 14 14 GLU CB C 14 29.310 29.310 30.610 -1.300 25137 9802 1 15 . 1 1 14 14 GLU H H 14 10.077 10.077 8.319 1.758 25137 9803 1 15 . 1 1 15 15 PRO HA H 15 4.273 4.273 4.356 -0.083 25137 9804 1 15 . 1 1 15 15 PRO C C 15 179.110 179.110 178.041 1.069 25137 9805 1 15 . 1 1 15 15 PRO CA C 15 65.472 65.472 65.589 -0.117 25137 9806 1 15 . 1 1 15 15 PRO CB C 15 32.462 32.462 31.857 0.605 25137 9807 1 15 . 1 1 16 16 LEU N N 16 118.358 118.358 118.320 0.038 25137 9808 1 15 . 1 1 16 16 LEU HA H 16 4.131 4.131 4.121 0.010 25137 9809 1 15 . 1 1 16 16 LEU C C 16 179.260 179.260 178.579 0.681 25137 9810 1 15 . 1 1 16 16 LEU CA C 16 58.306 58.306 57.803 0.502 25137 9811 1 15 . 1 1 16 16 LEU CB C 16 41.731 41.731 41.867 -0.136 25137 9812 1 15 . 1 1 16 16 LEU H H 16 8.851 8.851 7.871 0.980 25137 9813 1 15 . 1 1 17 17 ILE N N 17 117.680 117.680 119.331 -1.651 25137 9814 1 15 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.579 0.253 25137 9815 1 15 . 1 1 17 17 ILE C C 17 178.230 178.230 177.852 0.378 25137 9816 1 15 . 1 1 17 17 ILE CA C 17 63.344 63.344 64.953 -1.609 25137 9817 1 15 . 1 1 17 17 ILE CB C 17 36.564 36.564 37.495 -0.931 25137 9818 1 15 . 1 1 17 17 ILE H H 17 6.886 6.886 7.416 -0.530 25137 9819 1 15 . 1 1 18 18 ALA N N 18 122.321 122.321 123.062 -0.741 25137 9820 1 15 . 1 1 18 18 ALA HA H 18 3.720 3.720 3.916 -0.196 25137 9821 1 15 . 1 1 18 18 ALA C C 18 178.900 178.900 179.301 -0.401 25137 9822 1 15 . 1 1 18 18 ALA CA C 18 55.890 55.890 55.531 0.359 25137 9823 1 15 . 1 1 18 18 ALA CB C 18 18.165 18.165 18.218 -0.053 25137 9824 1 15 . 1 1 18 18 ALA H H 18 7.988 7.988 8.568 -0.580 25137 9825 1 15 . 1 1 19 19 MET N N 19 115.807 115.807 119.086 -3.279 25137 9826 1 15 . 1 1 19 19 MET HA H 19 3.999 3.999 4.010 -0.011 25137 9827 1 15 . 1 1 19 19 MET C C 19 177.180 177.180 178.329 -1.149 25137 9828 1 15 . 1 1 19 19 MET CA C 19 58.144 58.144 59.499 -1.355 25137 9829 1 15 . 1 1 19 19 MET CB C 19 32.852 32.852 32.757 0.096 25137 9830 1 15 . 1 1 19 19 MET H H 19 8.204 8.204 8.507 -0.303 25137 9831 1 15 . 1 1 20 20 ASN N N 20 117.843 117.843 118.647 -0.804 25137 9832 1 15 . 1 1 20 20 ASN HA H 20 4.545 4.545 4.642 -0.097 25137 9833 1 15 . 1 1 20 20 ASN C C 20 179.590 179.590 178.331 1.259 25137 9834 1 15 . 1 1 20 20 ASN CA C 20 56.222 56.222 56.662 -0.440 25137 9835 1 15 . 1 1 20 20 ASN CB C 20 38.005 38.005 39.002 -0.997 25137 9836 1 15 . 1 1 20 20 ASN H H 20 7.839 7.839 8.030 -0.191 25137 9837 1 15 . 1 1 21 21 LEU N N 21 121.749 121.749 121.899 -0.150 25137 9838 1 15 . 1 1 21 21 LEU HA H 21 4.055 4.055 4.081 -0.026 25137 9839 1 15 . 1 1 21 21 LEU C C 21 177.750 177.750 178.811 -1.061 25137 9840 1 15 . 1 1 21 21 LEU CA C 21 58.268 58.268 58.472 -0.204 25137 9841 1 15 . 1 1 21 21 LEU CB C 21 42.605 42.605 42.048 0.557 25137 9842 1 15 . 1 1 21 21 LEU H H 21 8.601 8.601 8.854 -0.253 25137 9843 1 15 . 1 1 22 22 GLN N N 22 120.991 120.991 119.668 1.323 25137 9844 1 15 . 1 1 22 22 GLN HA H 22 3.935 3.935 3.963 -0.028 25137 9845 1 15 . 1 1 22 22 GLN C C 22 178.070 178.070 178.625 -0.555 25137 9846 1 15 . 1 1 22 22 GLN CA C 22 60.463 60.463 59.539 0.923 25137 9847 1 15 . 1 1 22 22 GLN CB C 22 26.902 26.902 28.659 -1.757 25137 9848 1 15 . 1 1 22 22 GLN H H 22 8.749 8.749 8.737 0.012 25137 9849 1 15 . 1 1 23 23 TYR N N 23 117.446 117.446 118.095 -0.649 25137 9850 1 15 . 1 1 23 23 TYR HA H 23 4.517 4.517 4.375 0.142 25137 9851 1 15 . 1 1 23 23 TYR C C 23 178.210 178.210 178.247 -0.037 25137 9852 1 15 . 1 1 23 23 TYR CA C 23 59.425 59.425 60.986 -1.560 25137 9853 1 15 . 1 1 23 23 TYR CB C 23 36.975 36.975 38.019 -1.044 25137 9854 1 15 . 1 1 23 23 TYR H H 23 8.450 8.450 8.455 -0.005 25137 9855 1 15 . 1 1 24 24 ALA N N 24 121.627 121.627 123.438 -1.811 25137 9856 1 15 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.016 0.084 25137 9857 1 15 . 1 1 24 24 ALA C C 24 180.910 180.910 179.139 1.771 25137 9858 1 15 . 1 1 24 24 ALA CA C 24 55.060 55.060 54.947 0.113 25137 9859 1 15 . 1 1 24 24 ALA CB C 24 18.070 18.070 18.033 0.037 25137 9860 1 15 . 1 1 24 24 ALA H H 24 7.765 7.765 7.991 -0.226 25137 9861 1 15 . 1 1 25 25 PHE N N 25 115.589 115.589 117.787 -2.198 25137 9862 1 15 . 1 1 25 25 PHE HA H 25 3.940 3.940 4.099 -0.159 25137 9863 1 15 . 1 1 25 25 PHE C C 25 179.090 179.090 178.316 0.774 25137 9864 1 15 . 1 1 25 25 PHE CA C 25 63.453 63.453 62.712 0.741 25137 9865 1 15 . 1 1 25 25 PHE CB C 25 39.484 39.484 38.893 0.591 25137 9866 1 15 . 1 1 25 25 PHE H H 25 8.348 8.348 8.700 -0.352 25137 9867 1 15 . 1 1 26 26 GLU N N 26 121.198 121.198 118.563 2.635 25137 9868 1 15 . 1 1 26 26 GLU HA H 26 4.429 4.429 4.295 0.134 25137 9869 1 15 . 1 1 26 26 GLU C C 26 181.680 181.680 178.701 2.979 25137 9870 1 15 . 1 1 26 26 GLU CA C 26 59.737 59.737 58.644 1.093 25137 9871 1 15 . 1 1 26 26 GLU CB C 26 28.925 28.925 29.417 -0.492 25137 9872 1 15 . 1 1 26 26 GLU H H 26 8.822 8.822 8.352 0.470 25137 9873 1 15 . 1 1 27 27 ASP N N 27 121.846 121.846 118.938 2.908 25137 9874 1 15 . 1 1 27 27 ASP HA H 27 4.468 4.468 4.510 -0.042 25137 9875 1 15 . 1 1 27 27 ASP C C 27 177.880 177.880 178.029 -0.149 25137 9876 1 15 . 1 1 27 27 ASP CA C 27 56.996 56.996 56.540 0.456 25137 9877 1 15 . 1 1 27 27 ASP CB C 27 40.640 40.640 41.080 -0.440 25137 9878 1 15 . 1 1 27 27 ASP H H 27 8.424 8.424 7.822 0.602 25137 9879 1 15 . 1 1 28 28 GLU N N 28 115.759 115.759 117.694 -1.935 25137 9880 1 15 . 1 1 28 28 GLU HA H 28 4.331 4.331 4.307 0.024 25137 9881 1 15 . 1 1 28 28 GLU C C 28 176.460 176.460 177.200 -0.740 25137 9882 1 15 . 1 1 28 28 GLU CA C 28 55.395 55.395 56.589 -1.194 25137 9883 1 15 . 1 1 28 28 GLU CB C 28 30.264 30.264 30.279 -0.015 25137 9884 1 15 . 1 1 28 28 GLU H H 28 7.170 7.170 7.693 -0.523 25137 9885 1 15 . 1 1 29 29 GLY N N 29 106.899 106.899 107.885 -0.986 25137 9886 1 15 . 1 1 29 29 GLY C C 29 173.160 173.160 172.788 0.372 25137 9887 1 15 . 1 1 29 29 GLY CA C 29 45.589 45.589 45.120 0.469 25137 9888 1 15 . 1 1 29 29 GLY H H 29 7.889 7.889 7.882 0.007 25137 9889 1 15 . 1 1 30 30 ALA N N 30 121.007 121.007 122.092 -1.085 25137 9890 1 15 . 1 1 30 30 ALA HA H 30 4.680 4.680 5.081 -0.401 25137 9891 1 15 . 1 1 30 30 ALA C C 30 175.880 175.880 175.002 0.878 25137 9892 1 15 . 1 1 30 30 ALA CA C 30 50.666 50.666 51.152 -0.486 25137 9893 1 15 . 1 1 30 30 ALA CB C 30 21.882 21.882 22.149 -0.267 25137 9894 1 15 . 1 1 30 30 ALA H H 30 7.743 7.743 7.618 0.125 25137 9895 1 15 . 1 1 31 31 GLU N N 31 120.065 120.065 119.366 0.699 25137 9896 1 15 . 1 1 31 31 GLU HA H 31 4.664 4.664 4.829 -0.165 25137 9897 1 15 . 1 1 31 31 GLU C C 31 175.430 175.430 174.655 0.775 25137 9898 1 15 . 1 1 31 31 GLU CA C 31 55.136 55.136 54.570 0.566 25137 9899 1 15 . 1 1 31 31 GLU CB C 31 32.126 32.126 32.609 -0.483 25137 9900 1 15 . 1 1 31 31 GLU H H 31 8.595 8.595 8.410 0.185 25137 9901 1 15 . 1 1 32 32 VAL N N 32 123.414 123.414 125.797 -2.383 25137 9902 1 15 . 1 1 32 32 VAL HA H 32 4.787 4.787 4.879 -0.092 25137 9903 1 15 . 1 1 32 32 VAL C C 32 175.290 175.290 175.368 -0.078 25137 9904 1 15 . 1 1 32 32 VAL CA C 32 60.802 60.802 60.331 0.471 25137 9905 1 15 . 1 1 32 32 VAL CB C 32 34.991 34.991 33.591 1.400 25137 9906 1 15 . 1 1 32 32 VAL H H 32 8.872 8.872 8.442 0.430 25137 9907 1 15 . 1 1 33 33 VAL N N 33 128.158 128.158 127.538 0.620 25137 9908 1 15 . 1 1 33 33 VAL HA H 33 4.226 4.226 4.340 -0.114 25137 9909 1 15 . 1 1 33 33 VAL C C 33 173.830 173.830 174.605 -0.775 25137 9910 1 15 . 1 1 33 33 VAL CA C 33 60.990 60.990 60.306 0.684 25137 9911 1 15 . 1 1 33 33 VAL CB C 33 33.736 33.736 33.849 -0.113 25137 9912 1 15 . 1 1 33 33 VAL H H 33 9.042 9.042 9.098 -0.056 25137 9913 1 15 . 1 1 34 34 VAL N N 34 126.239 126.239 125.647 0.592 25137 9914 1 15 . 1 1 34 34 VAL HA H 34 4.751 4.751 4.480 0.271 25137 9915 1 15 . 1 1 34 34 VAL C C 34 175.100 175.100 174.749 0.351 25137 9916 1 15 . 1 1 34 34 VAL CA C 34 61.389 61.389 61.282 0.107 25137 9917 1 15 . 1 1 34 34 VAL CB C 34 33.193 33.193 33.323 -0.130 25137 9918 1 15 . 1 1 34 34 VAL H H 34 8.522 8.522 8.512 0.010 25137 9919 1 15 . 1 1 35 35 ALA N N 35 129.955 129.955 129.171 0.784 25137 9920 1 15 . 1 1 35 35 ALA HA H 35 4.682 4.682 5.023 -0.341 25137 9921 1 15 . 1 1 35 35 ALA C C 35 174.380 174.380 175.850 -1.470 25137 9922 1 15 . 1 1 35 35 ALA CA C 35 50.154 50.154 50.902 -0.748 25137 9923 1 15 . 1 1 35 35 ALA CB C 35 22.922 22.922 22.589 0.333 25137 9924 1 15 . 1 1 35 35 ALA H H 35 9.388 9.388 8.862 0.526 25137 9925 1 15 . 1 1 36 36 ALA N N 36 121.011 121.011 123.909 -2.898 25137 9926 1 15 . 1 1 36 36 ALA HA H 36 4.632 4.632 5.036 -0.404 25137 9927 1 15 . 1 1 36 36 ALA C C 36 176.490 176.490 177.033 -0.543 25137 9928 1 15 . 1 1 36 36 ALA CA C 36 51.778 51.778 52.436 -0.658 25137 9929 1 15 . 1 1 36 36 ALA CB C 36 21.506 21.506 19.941 1.565 25137 9930 1 15 . 1 1 36 36 ALA H H 36 8.539 8.539 8.546 -0.007 25137 9931 1 15 . 1 1 37 37 THR N N 37 102.880 102.880 107.766 -4.886 25137 9932 1 15 . 1 1 37 37 THR HA H 37 4.620 4.620 4.508 0.112 25137 9933 1 15 . 1 1 37 37 THR C C 37 174.710 174.710 175.585 -0.875 25137 9934 1 15 . 1 1 37 37 THR CA C 37 57.520 57.520 59.252 -1.732 25137 9935 1 15 . 1 1 37 37 THR CB C 37 72.972 72.972 72.260 0.712 25137 9936 1 15 . 1 1 37 37 THR H H 37 7.019 7.019 7.442 -0.423 25137 9937 1 15 . 1 1 38 38 CYS N N 38 120.553 120.553 121.663 -1.110 25137 9938 1 15 . 1 1 38 38 CYS HA H 38 3.677 3.677 4.049 -0.372 25137 9939 1 15 . 1 1 38 38 CYS C C 38 176.020 176.020 176.712 -0.692 25137 9940 1 15 . 1 1 38 38 CYS CA C 38 63.179 63.179 63.232 -0.053 25137 9941 1 15 . 1 1 38 38 CYS CB C 38 26.317 26.317 27.291 -0.974 25137 9942 1 15 . 1 1 38 38 CYS H H 38 9.398 9.398 8.973 0.425 25137 9943 1 15 . 1 1 39 39 GLU N N 39 118.521 118.521 120.487 -1.966 25137 9944 1 15 . 1 1 39 39 GLU HA H 39 3.829 3.829 3.919 -0.090 25137 9945 1 15 . 1 1 39 39 GLU C C 39 179.470 179.470 179.123 0.347 25137 9946 1 15 . 1 1 39 39 GLU CA C 39 60.594 60.594 59.841 0.753 25137 9947 1 15 . 1 1 39 39 GLU CB C 39 28.963 28.963 29.211 -0.248 25137 9948 1 15 . 1 1 39 39 GLU H H 39 8.960 8.960 8.606 0.354 25137 9949 1 15 . 1 1 40 40 GLN N N 40 118.602 118.602 118.721 -0.119 25137 9950 1 15 . 1 1 40 40 GLN HA H 40 4.021 4.021 3.982 0.039 25137 9951 1 15 . 1 1 40 40 GLN C C 40 176.211 176.211 178.466 -2.255 25137 9952 1 15 . 1 1 40 40 GLN CA C 40 58.306 58.306 58.648 -0.342 25137 9953 1 15 . 1 1 40 40 GLN CB C 40 28.925 28.925 28.593 0.332 25137 9954 1 15 . 1 1 40 40 GLN H H 40 7.855 7.855 8.027 -0.172 25137 9955 1 15 . 1 1 41 41 ALA N N 41 122.395 122.395 123.067 -0.672 25137 9956 1 15 . 1 1 41 41 ALA HA H 41 3.735 3.735 3.967 -0.232 25137 9957 1 15 . 1 1 41 41 ALA C C 41 178.440 178.440 179.462 -1.022 25137 9958 1 15 . 1 1 41 41 ALA CA C 41 55.178 55.178 55.267 -0.089 25137 9959 1 15 . 1 1 41 41 ALA CB C 41 19.872 19.872 18.442 1.430 25137 9960 1 15 . 1 1 41 41 ALA H H 41 8.009 8.009 7.733 0.276 25137 9961 1 15 . 1 1 42 42 LEU N N 42 116.832 116.832 118.404 -1.572 25137 9962 1 15 . 1 1 42 42 LEU HA H 42 3.875 3.875 3.849 0.026 25137 9963 1 15 . 1 1 42 42 LEU C C 42 180.080 180.080 179.164 0.916 25137 9964 1 15 . 1 1 42 42 LEU CA C 42 58.011 58.011 57.555 0.456 25137 9965 1 15 . 1 1 42 42 LEU CB C 42 40.961 40.961 41.300 -0.339 25137 9966 1 15 . 1 1 42 42 LEU H H 42 8.497 8.497 8.542 -0.045 25137 9967 1 15 . 1 1 43 43 LYS N N 43 121.087 121.087 120.224 0.863 25137 9968 1 15 . 1 1 43 43 LYS HA H 43 4.065 4.065 3.909 0.156 25137 9969 1 15 . 1 1 43 43 LYS C C 43 178.500 178.500 178.739 -0.239 25137 9970 1 15 . 1 1 43 43 LYS CA C 43 59.256 59.256 59.873 -0.617 25137 9971 1 15 . 1 1 43 43 LYS CB C 43 32.295 32.295 32.279 0.016 25137 9972 1 15 . 1 1 43 43 LYS H H 43 7.593 7.593 8.141 -0.548 25137 9973 1 15 . 1 1 44 44 SER N N 44 115.150 115.150 115.654 -0.504 25137 9974 1 15 . 1 1 44 44 SER HA H 44 4.130 4.130 4.223 -0.093 25137 9975 1 15 . 1 1 44 44 SER C C 44 176.430 176.430 176.796 -0.366 25137 9976 1 15 . 1 1 44 44 SER CA C 44 62.900 62.900 61.592 1.308 25137 9977 1 15 . 1 1 44 44 SER CB C 44 62.900 62.900 62.917 -0.017 25137 9978 1 15 . 1 1 44 44 SER H H 44 8.100 8.100 7.919 0.181 25137 9979 1 15 . 1 1 45 45 LEU N N 45 120.050 120.050 122.125 -2.075 25137 9980 1 15 . 1 1 45 45 LEU HA H 45 4.121 4.121 4.000 0.121 25137 9981 1 15 . 1 1 45 45 LEU C C 45 177.260 177.260 178.365 -1.105 25137 9982 1 15 . 1 1 45 45 LEU CA C 45 56.770 56.770 57.632 -0.862 25137 9983 1 15 . 1 1 45 45 LEU CB C 45 42.389 42.389 40.923 1.466 25137 9984 1 15 . 1 1 45 45 LEU H H 45 8.050 8.050 8.429 -0.379 25137 9985 1 15 . 1 1 46 46 ALA N N 46 119.940 119.940 120.272 -0.332 25137 9986 1 15 . 1 1 46 46 ALA HA H 46 4.093 4.093 4.104 -0.011 25137 9987 1 15 . 1 1 46 46 ALA C C 46 179.310 179.310 179.147 0.163 25137 9988 1 15 . 1 1 46 46 ALA CA C 46 54.126 54.126 54.402 -0.276 25137 9989 1 15 . 1 1 46 46 ALA CB C 46 18.412 18.412 18.737 -0.325 25137 9990 1 15 . 1 1 46 46 ALA H H 46 7.360 7.360 7.534 -0.174 25137 9991 1 15 . 1 1 47 47 ASP N N 47 115.277 115.277 118.709 -3.432 25137 9992 1 15 . 1 1 47 47 ASP HA H 47 4.610 4.610 4.499 0.111 25137 9993 1 15 . 1 1 47 47 ASP C C 47 175.930 175.930 176.804 -0.874 25137 9994 1 15 . 1 1 47 47 ASP CA C 47 55.087 55.087 55.485 -0.398 25137 9995 1 15 . 1 1 47 47 ASP CB C 47 42.364 42.364 41.532 0.832 25137 9996 1 15 . 1 1 47 47 ASP H H 47 7.583 7.583 8.397 -0.814 25137 9997 1 15 . 1 1 48 48 ASN N N 48 116.977 116.977 116.448 0.529 25137 9998 1 15 . 1 1 48 48 ASN HA H 48 5.219 5.219 5.085 0.134 25137 9999 1 15 . 1 1 48 48 ASN CA C 48 51.096 51.096 50.869 0.227 25137 10000 1 15 . 1 1 48 48 ASN CB C 48 42.381 42.381 40.319 2.062 25137 10001 1 15 . 1 1 48 48 ASN H H 48 7.727 7.727 8.191 -0.464 25137 10002 1 15 . 1 1 49 49 PRO HA H 49 4.551 4.551 4.614 -0.063 25137 10003 1 15 . 1 1 49 49 PRO C C 49 174.890 174.890 175.477 -0.587 25137 10004 1 15 . 1 1 49 49 PRO CA C 49 62.093 62.093 62.146 -0.053 25137 10005 1 15 . 1 1 49 49 PRO CB C 49 29.940 29.940 31.173 -1.233 25137 10006 1 15 . 1 1 50 50 ILE N N 50 122.280 122.280 123.999 -1.719 25137 10007 1 15 . 1 1 50 50 ILE HA H 50 3.908 3.908 3.895 0.013 25137 10008 1 15 . 1 1 50 50 ILE C C 50 174.840 174.840 175.999 -1.159 25137 10009 1 15 . 1 1 50 50 ILE CA C 50 58.580 58.580 60.910 -2.330 25137 10010 1 15 . 1 1 50 50 ILE CB C 50 38.850 38.850 36.834 2.016 25137 10011 1 15 . 1 1 50 50 ILE H H 50 7.420 7.420 7.950 -0.530 25137 10012 1 15 . 1 1 51 51 ASP N N 51 123.770 123.770 126.630 -2.860 25137 10013 1 15 . 1 1 51 51 ASP HA H 51 4.749 4.749 4.598 0.151 25137 10014 1 15 . 1 1 51 51 ASP C C 51 175.114 175.114 175.663 -0.549 25137 10015 1 15 . 1 1 51 51 ASP CA C 51 56.930 56.930 56.048 0.882 25137 10016 1 15 . 1 1 51 51 ASP CB C 51 44.360 44.360 43.291 1.069 25137 10017 1 15 . 1 1 51 51 ASP H H 51 9.310 9.310 8.756 0.554 25137 10018 1 15 . 1 1 52 52 VAL N N 52 114.454 114.454 116.678 -2.224 25137 10019 1 15 . 1 1 52 52 VAL HA H 52 4.874 4.874 5.008 -0.134 25137 10020 1 15 . 1 1 52 52 VAL C C 52 171.129 171.129 173.106 -1.977 25137 10021 1 15 . 1 1 52 52 VAL CA C 52 59.850 59.850 60.451 -0.601 25137 10022 1 15 . 1 1 52 52 VAL CB C 52 32.980 32.980 35.651 -2.671 25137 10023 1 15 . 1 1 52 52 VAL H H 52 7.580 7.580 7.559 0.021 25137 10024 1 15 . 1 1 53 53 ALA N N 53 124.620 124.620 126.142 -1.522 25137 10025 1 15 . 1 1 53 53 ALA HA H 53 5.665 5.665 5.261 0.404 25137 10026 1 15 . 1 1 53 53 ALA C C 53 175.100 175.100 175.062 0.038 25137 10027 1 15 . 1 1 53 53 ALA CA C 53 49.810 49.810 50.361 -0.551 25137 10028 1 15 . 1 1 53 53 ALA CB C 53 25.750 25.750 22.866 2.884 25137 10029 1 15 . 1 1 53 53 ALA H H 53 7.780 7.780 8.461 -0.681 25137 10030 1 15 . 1 1 54 54 VAL N N 54 118.950 118.950 117.484 1.466 25137 10031 1 15 . 1 1 54 54 VAL HA H 54 4.647 4.647 5.185 -0.538 25137 10032 1 15 . 1 1 54 54 VAL C C 54 174.020 174.020 174.194 -0.174 25137 10033 1 15 . 1 1 54 54 VAL CA C 54 61.580 61.580 60.178 1.402 25137 10034 1 15 . 1 1 54 54 VAL CB C 54 34.320 34.320 33.464 0.856 25137 10035 1 15 . 1 1 54 54 VAL H H 54 8.730 8.730 8.968 -0.238 25137 10036 1 15 . 1 1 55 55 LEU N N 55 124.820 124.820 128.874 -4.054 25137 10037 1 15 . 1 1 55 55 LEU HA H 55 4.953 4.953 4.672 0.281 25137 10038 1 15 . 1 1 55 55 LEU C C 55 176.110 176.110 175.674 0.436 25137 10039 1 15 . 1 1 55 55 LEU CA C 55 53.540 53.540 53.906 -0.365 25137 10040 1 15 . 1 1 55 55 LEU CB C 55 42.690 42.690 42.632 0.058 25137 10041 1 15 . 1 1 55 55 LEU H H 55 9.240 9.240 9.358 -0.118 25137 10042 1 15 . 1 1 56 56 ASP N N 56 124.220 124.220 127.240 -3.020 25137 10043 1 15 . 1 1 56 56 ASP HA H 56 5.629 5.629 5.112 0.517 25137 10044 1 15 . 1 1 56 56 ASP C C 56 174.460 174.460 177.135 -2.675 25137 10045 1 15 . 1 1 56 56 ASP CA C 56 52.930 52.930 54.618 -1.688 25137 10046 1 15 . 1 1 56 56 ASP CB C 56 43.400 43.400 40.636 2.764 25137 10047 1 15 . 1 1 56 56 ASP H H 56 8.360 8.360 8.771 -0.411 25137 10048 1 15 . 1 1 57 57 VAL N N 57 119.581 119.581 121.605 -2.024 25137 10049 1 15 . 1 1 57 57 VAL HA H 57 4.239 4.239 3.775 0.464 25137 10050 1 15 . 1 1 57 57 VAL C C 57 175.480 175.480 176.767 -1.287 25137 10051 1 15 . 1 1 57 57 VAL CA C 57 64.564 64.564 64.604 -0.040 25137 10052 1 15 . 1 1 57 57 VAL CB C 57 32.520 32.520 31.442 1.078 25137 10053 1 15 . 1 1 57 57 VAL H H 57 7.022 7.022 7.770 -0.748 25137 10054 1 15 . 1 1 58 58 ASN N N 58 114.490 114.490 115.310 -0.820 25137 10055 1 15 . 1 1 58 58 ASN HA H 58 4.693 4.693 4.693 -0.000 25137 10056 1 15 . 1 1 58 58 ASN C C 58 173.400 173.400 175.398 -1.998 25137 10057 1 15 . 1 1 58 58 ASN CA C 58 53.570 53.570 52.356 1.214 25137 10058 1 15 . 1 1 58 58 ASN CB C 58 38.820 38.820 36.996 1.824 25137 10059 1 15 . 1 1 58 58 ASN H H 58 8.600 8.600 8.303 0.297 25137 10060 1 15 . 1 1 59 59 LEU N N 59 130.670 130.670 118.378 12.292 25137 10061 1 15 . 1 1 59 59 LEU HA H 59 4.647 4.647 4.129 0.518 25137 10062 1 15 . 1 1 59 59 LEU C C 59 175.340 175.340 177.438 -2.098 25137 10063 1 15 . 1 1 59 59 LEU CA C 59 53.550 53.550 56.137 -2.587 25137 10064 1 15 . 1 1 59 59 LEU CB C 59 41.430 41.430 42.114 -0.684 25137 10065 1 15 . 1 1 59 59 LEU H H 59 8.260 8.260 8.127 0.133 25137 10066 1 15 . 1 1 60 60 GLY N N 60 109.030 109.030 103.502 5.528 25137 10067 1 15 . 1 1 60 60 GLY CA C 60 44.610 44.610 45.280 -0.670 25137 10068 1 15 . 1 1 60 60 GLY H H 60 7.860 7.860 7.644 0.216 25137 10069 1 15 . 1 1 61 61 PRO HA H 61 4.385 4.385 4.294 0.091 25137 10070 1 15 . 1 1 61 61 PRO C C 61 177.960 177.960 177.332 0.628 25137 10071 1 15 . 1 1 61 61 PRO CA C 61 64.888 64.888 64.753 0.135 25137 10072 1 15 . 1 1 61 61 PRO CB C 61 32.070 32.070 32.341 -0.271 25137 10073 1 15 . 1 1 62 62 LYS N N 62 115.984 115.984 114.115 1.869 25137 10074 1 15 . 1 1 62 62 LYS HA H 62 4.524 4.524 4.491 0.033 25137 10075 1 15 . 1 1 62 62 LYS C C 62 175.810 175.810 176.009 -0.199 25137 10076 1 15 . 1 1 62 62 LYS CA C 62 55.444 55.444 56.267 -0.824 25137 10077 1 15 . 1 1 62 62 LYS CB C 62 33.216 33.216 33.521 -0.305 25137 10078 1 15 . 1 1 62 62 LYS H H 62 8.625 8.625 7.980 0.645 25137 10079 1 15 . 1 1 63 63 SER N N 63 113.432 113.432 116.722 -3.290 25137 10080 1 15 . 1 1 63 63 SER HA H 63 4.609 4.609 4.331 0.278 25137 10081 1 15 . 1 1 63 63 SER C C 63 172.560 172.560 173.144 -0.584 25137 10082 1 15 . 1 1 63 63 SER CA C 63 57.715 57.715 59.944 -2.229 25137 10083 1 15 . 1 1 63 63 SER CB C 63 64.866 64.866 63.384 1.482 25137 10084 1 15 . 1 1 63 63 SER H H 63 7.389 7.389 8.046 -0.657 25137 10085 1 15 . 1 1 64 64 HIS N N 64 122.580 122.580 117.832 4.748 25137 10086 1 15 . 1 1 64 64 HIS HA H 64 5.833 5.833 4.951 0.882 25137 10087 1 15 . 1 1 64 64 HIS C C 64 176.210 176.210 174.940 1.270 25137 10088 1 15 . 1 1 64 64 HIS CA C 64 54.006 54.006 53.978 0.028 25137 10089 1 15 . 1 1 64 64 HIS CB C 64 34.092 34.092 32.907 1.185 25137 10090 1 15 . 1 1 64 64 HIS H H 64 7.762 7.762 7.577 0.185 25137 10091 1 15 . 1 1 65 65 CYS N N 65 111.478 111.478 120.993 -9.515 25137 10092 1 15 . 1 1 65 65 CYS HA H 65 4.342 4.342 4.527 -0.185 25137 10093 1 15 . 1 1 65 65 CYS C C 65 175.881 175.881 175.044 0.837 25137 10094 1 15 . 1 1 65 65 CYS CA C 65 57.980 57.980 58.186 -0.206 25137 10095 1 15 . 1 1 65 65 CYS CB C 65 29.790 29.790 26.395 3.395 25137 10096 1 15 . 1 1 65 65 CYS H H 65 7.946 7.946 8.443 -0.497 25137 10097 1 15 . 1 1 66 66 GLY N N 66 120.340 120.340 113.014 7.326 25137 10098 1 15 . 1 1 66 66 GLY CA C 66 48.880 48.880 46.063 2.817 25137 10099 1 15 . 1 1 66 66 GLY H H 66 11.290 11.290 8.027 3.263 25137 10100 1 15 . 1 1 67 67 PRO HA H 67 4.386 4.386 4.256 0.130 25137 10101 1 15 . 1 1 67 67 PRO C C 67 179.860 179.860 178.126 1.734 25137 10102 1 15 . 1 1 67 67 PRO CA C 67 65.388 65.388 65.482 -0.094 25137 10103 1 15 . 1 1 67 67 PRO CB C 67 32.970 32.970 31.475 1.495 25137 10104 1 15 . 1 1 68 68 VAL N N 68 116.564 116.564 116.980 -0.416 25137 10105 1 15 . 1 1 68 68 VAL HA H 68 3.494 3.494 3.596 -0.102 25137 10106 1 15 . 1 1 68 68 VAL C C 68 176.350 176.350 177.403 -1.053 25137 10107 1 15 . 1 1 68 68 VAL CA C 68 64.839 64.839 66.163 -1.324 25137 10108 1 15 . 1 1 68 68 VAL CB C 68 31.396 31.396 31.172 0.223 25137 10109 1 15 . 1 1 68 68 VAL H H 68 7.471 7.471 7.888 -0.417 25137 10110 1 15 . 1 1 69 69 ALA N N 69 122.825 122.825 123.116 -0.291 25137 10111 1 15 . 1 1 69 69 ALA HA H 69 3.085 3.085 3.387 -0.302 25137 10112 1 15 . 1 1 69 69 ALA C C 69 179.280 179.280 179.233 0.047 25137 10113 1 15 . 1 1 69 69 ALA CA C 69 55.209 55.209 55.203 0.006 25137 10114 1 15 . 1 1 69 69 ALA CB C 69 18.141 18.141 18.111 0.030 25137 10115 1 15 . 1 1 69 69 ALA H H 69 7.880 7.880 7.751 0.129 25137 10116 1 15 . 1 1 70 70 ASP N N 70 116.269 116.269 119.014 -2.745 25137 10117 1 15 . 1 1 70 70 ASP HA H 70 4.314 4.314 4.308 0.006 25137 10118 1 15 . 1 1 70 70 ASP C C 70 178.300 178.300 178.433 -0.133 25137 10119 1 15 . 1 1 70 70 ASP CA C 70 57.530 57.530 57.944 -0.414 25137 10120 1 15 . 1 1 70 70 ASP CB C 70 40.582 40.582 40.624 -0.042 25137 10121 1 15 . 1 1 70 70 ASP H H 70 8.316 8.316 8.223 0.094 25137 10122 1 15 . 1 1 71 71 ALA N N 71 122.771 122.771 123.057 -0.286 25137 10123 1 15 . 1 1 71 71 ALA HA H 71 4.045 4.045 4.014 0.031 25137 10124 1 15 . 1 1 71 71 ALA C C 71 180.700 180.700 179.747 0.953 25137 10125 1 15 . 1 1 71 71 ALA CA C 71 55.062 55.062 55.069 -0.007 25137 10126 1 15 . 1 1 71 71 ALA CB C 71 18.675 18.675 18.266 0.409 25137 10127 1 15 . 1 1 71 71 ALA H H 71 7.156 7.156 7.764 -0.608 25137 10128 1 15 . 1 1 72 72 LEU N N 72 119.021 119.021 117.897 1.124 25137 10129 1 15 . 1 1 72 72 LEU HA H 72 3.824 3.824 3.749 0.075 25137 10130 1 15 . 1 1 72 72 LEU C C 72 179.560 179.560 179.231 0.329 25137 10131 1 15 . 1 1 72 72 LEU CA C 72 58.351 58.351 57.529 0.822 25137 10132 1 15 . 1 1 72 72 LEU CB C 72 40.437 40.437 41.055 -0.618 25137 10133 1 15 . 1 1 72 72 LEU H H 72 8.250 8.250 8.119 0.131 25137 10134 1 15 . 1 1 73 73 LYS N N 73 120.087 120.087 119.161 0.926 25137 10135 1 15 . 1 1 73 73 LYS HA H 73 4.431 4.431 4.138 0.293 25137 10136 1 15 . 1 1 73 73 LYS C C 73 181.310 181.310 180.147 1.163 25137 10137 1 15 . 1 1 73 73 LYS CA C 73 59.307 59.307 59.192 0.115 25137 10138 1 15 . 1 1 73 73 LYS CB C 73 32.404 32.404 31.753 0.651 25137 10139 1 15 . 1 1 73 73 LYS H H 73 8.383 8.383 8.249 0.134 25137 10140 1 15 . 1 1 74 74 GLN N N 74 118.982 118.982 119.016 -0.034 25137 10141 1 15 . 1 1 74 74 GLN HA H 74 4.074 4.074 4.133 -0.059 25137 10142 1 15 . 1 1 74 74 GLN C C 74 177.620 177.620 178.007 -0.387 25137 10143 1 15 . 1 1 74 74 GLN CA C 74 58.834 58.834 58.332 0.502 25137 10144 1 15 . 1 1 74 74 GLN CB C 74 28.505 28.505 28.594 -0.089 25137 10145 1 15 . 1 1 74 74 GLN H H 74 8.015 8.015 8.077 -0.062 25137 10146 1 15 . 1 1 75 75 ARG N N 75 116.770 116.770 116.215 0.555 25137 10147 1 15 . 1 1 75 75 ARG HA H 75 4.272 4.272 4.398 -0.126 25137 10148 1 15 . 1 1 75 75 ARG C C 75 174.310 174.310 175.209 -0.899 25137 10149 1 15 . 1 1 75 75 ARG CA C 75 55.950 55.950 55.460 0.490 25137 10150 1 15 . 1 1 75 75 ARG CB C 75 31.780 31.780 30.455 1.325 25137 10151 1 15 . 1 1 75 75 ARG H H 75 7.240 7.240 7.612 -0.372 25137 10152 1 15 . 1 1 76 76 ALA N N 76 122.020 122.020 120.662 1.358 25137 10153 1 15 . 1 1 76 76 ALA HA H 76 4.050 4.050 4.072 -0.022 25137 10154 1 15 . 1 1 76 76 ALA C C 76 176.240 176.240 177.394 -1.154 25137 10155 1 15 . 1 1 76 76 ALA CA C 76 53.170 53.170 52.911 0.259 25137 10156 1 15 . 1 1 76 76 ALA CB C 76 16.650 16.650 17.259 -0.609 25137 10157 1 15 . 1 1 76 76 ALA H H 76 8.065 8.065 7.451 0.614 25137 10158 1 15 . 1 1 77 77 ILE N N 77 122.300 122.300 119.926 2.374 25137 10159 1 15 . 1 1 77 77 ILE HA H 77 4.502 4.502 4.245 0.257 25137 10160 1 15 . 1 1 77 77 ILE CA C 77 58.610 58.610 59.012 -0.402 25137 10161 1 15 . 1 1 77 77 ILE CB C 77 40.000 40.000 38.960 1.040 25137 10162 1 15 . 1 1 77 77 ILE H H 77 8.080 8.080 8.108 -0.028 25137 10163 1 15 . 1 1 78 78 PRO HA H 78 4.454 4.454 4.592 -0.138 25137 10164 1 15 . 1 1 78 78 PRO C C 78 174.680 174.680 175.440 -0.760 25137 10165 1 15 . 1 1 78 78 PRO CA C 78 62.622 62.622 62.823 -0.201 25137 10166 1 15 . 1 1 78 78 PRO CB C 78 32.772 32.772 32.138 0.634 25137 10167 1 15 . 1 1 79 79 PHE N N 79 109.800 109.800 116.622 -6.822 25137 10168 1 15 . 1 1 79 79 PHE HA H 79 5.656 5.656 5.459 0.197 25137 10169 1 15 . 1 1 79 79 PHE C C 79 172.780 172.780 173.451 -0.671 25137 10170 1 15 . 1 1 79 79 PHE CA C 79 55.612 55.612 55.917 -0.305 25137 10171 1 15 . 1 1 79 79 PHE CB C 79 42.181 42.181 42.206 -0.025 25137 10172 1 15 . 1 1 79 79 PHE H H 79 7.463 7.463 7.998 -0.535 25137 10173 1 15 . 1 1 80 80 ILE N N 80 114.746 114.746 120.331 -5.585 25137 10174 1 15 . 1 1 80 80 ILE HA H 80 4.545 4.545 4.569 -0.024 25137 10175 1 15 . 1 1 80 80 ILE C C 80 174.750 174.750 175.089 -0.339 25137 10176 1 15 . 1 1 80 80 ILE CA C 80 58.914 58.914 59.690 -0.776 25137 10177 1 15 . 1 1 80 80 ILE CB C 80 43.079 43.079 42.302 0.777 25137 10178 1 15 . 1 1 80 80 ILE H H 80 8.024 8.024 8.728 -0.704 25137 10179 1 15 . 1 1 81 81 LEU N N 81 124.450 124.450 126.628 -2.178 25137 10180 1 15 . 1 1 81 81 LEU HA H 81 5.470 5.470 4.943 0.527 25137 10181 1 15 . 1 1 81 81 LEU C C 81 175.620 175.620 176.023 -0.403 25137 10182 1 15 . 1 1 81 81 LEU CA C 81 53.345 53.345 53.265 0.080 25137 10183 1 15 . 1 1 81 81 LEU CB C 81 43.304 43.304 39.914 3.390 25137 10184 1 15 . 1 1 81 81 LEU H H 81 8.935 8.935 8.953 -0.018 25137 10185 1 15 . 1 1 82 82 HIS N N 82 126.167 126.167 127.077 -0.910 25137 10186 1 15 . 1 1 82 82 HIS HA H 82 5.880 5.880 5.440 0.440 25137 10187 1 15 . 1 1 82 82 HIS C C 82 172.730 172.730 174.440 -1.710 25137 10188 1 15 . 1 1 82 82 HIS CA C 82 52.947 52.947 54.197 -1.250 25137 10189 1 15 . 1 1 82 82 HIS CB C 82 31.171 31.171 30.839 0.332 25137 10190 1 15 . 1 1 82 82 HIS H H 82 8.828 8.828 8.617 0.211 25137 10191 1 15 . 1 1 83 83 THR N N 83 114.001 114.001 122.111 -8.110 25137 10192 1 15 . 1 1 83 83 THR HA H 83 5.305 5.305 4.806 0.499 25137 10193 1 15 . 1 1 83 83 THR C C 83 172.800 172.800 173.147 -0.347 25137 10194 1 15 . 1 1 83 83 THR CA C 83 58.807 58.807 61.197 -2.390 25137 10195 1 15 . 1 1 83 83 THR CB C 83 69.366 69.366 71.220 -1.854 25137 10196 1 15 . 1 1 83 83 THR H H 83 7.252 7.252 8.185 -0.933 25137 10197 1 15 . 1 1 84 84 GLY N N 84 115.666 115.666 111.527 4.139 25137 10198 1 15 . 1 1 84 84 GLY C C 84 173.764 173.764 173.791 -0.027 25137 10199 1 15 . 1 1 84 84 GLY CA C 84 45.284 45.284 44.367 0.917 25137 10200 1 15 . 1 1 84 84 GLY H H 84 8.483 8.483 9.279 -0.796 25137 10201 1 15 . 1 1 85 85 ASP N N 85 123.490 123.490 119.802 3.688 25137 10202 1 15 . 1 1 85 85 ASP HA H 85 4.982 4.982 4.854 0.128 25137 10203 1 15 . 1 1 85 85 ASP C C 85 175.829 175.829 175.406 0.423 25137 10204 1 15 . 1 1 85 85 ASP CA C 85 53.420 53.420 53.817 -0.397 25137 10205 1 15 . 1 1 85 85 ASP CB C 85 41.560 41.560 42.730 -1.169 25137 10206 1 15 . 1 1 85 85 ASP H H 85 8.510 8.510 7.953 0.557 25137 10207 1 15 . 1 1 86 86 LEU N N 86 122.010 122.010 125.453 -3.443 25137 10208 1 15 . 1 1 86 86 LEU HA H 86 3.997 3.997 4.761 -0.764 25137 10209 1 15 . 1 1 86 86 LEU C C 86 178.242 178.242 176.720 1.522 25137 10210 1 15 . 1 1 86 86 LEU CA C 86 57.410 57.410 54.636 2.774 25137 10211 1 15 . 1 1 86 86 LEU CB C 86 42.000 42.000 42.020 -0.020 25137 10212 1 15 . 1 1 86 86 LEU H H 86 8.210 8.210 8.703 -0.492 25137 10213 1 15 . 1 1 87 87 ASP N N 87 117.260 117.260 121.473 -4.213 25137 10214 1 15 . 1 1 87 87 ASP HA H 87 4.535 4.535 4.588 -0.053 25137 10215 1 15 . 1 1 87 87 ASP C C 87 178.351 178.351 178.663 -0.312 25137 10216 1 15 . 1 1 87 87 ASP CA C 87 56.010 56.010 57.288 -1.278 25137 10217 1 15 . 1 1 87 87 ASP CB C 87 41.400 41.400 41.209 0.191 25137 10218 1 15 . 1 1 87 87 ASP H H 87 8.290 8.290 7.986 0.304 25137 10219 1 15 . 1 1 88 88 ARG N N 88 120.750 120.750 118.767 1.983 25137 10220 1 15 . 1 1 88 88 ARG HA H 88 4.015 4.015 4.146 -0.131 25137 10221 1 15 . 1 1 88 88 ARG C C 88 177.300 177.300 176.752 0.548 25137 10222 1 15 . 1 1 88 88 ARG CA C 88 58.340 58.340 56.808 1.532 25137 10223 1 15 . 1 1 88 88 ARG CB C 88 30.460 30.460 30.204 0.256 25137 10224 1 15 . 1 1 88 88 ARG H H 88 8.040 8.040 8.218 -0.178 25137 10225 1 15 . 1 1 89 89 HIS N N 89 115.580 115.580 113.963 1.617 25137 10226 1 15 . 1 1 89 89 HIS HA H 89 5.026 5.026 4.777 0.249 25137 10227 1 15 . 1 1 89 89 HIS C C 89 175.670 175.670 175.222 0.448 25137 10228 1 15 . 1 1 89 89 HIS CA C 89 55.300 55.300 55.237 0.063 25137 10229 1 15 . 1 1 89 89 HIS CB C 89 29.890 29.890 30.218 -0.328 25137 10230 1 15 . 1 1 89 89 HIS H H 89 7.900 7.900 7.862 0.038 25137 10231 1 15 . 1 1 90 90 GLY N N 90 108.320 108.320 108.719 -0.399 25137 10232 1 15 . 1 1 90 90 GLY C C 90 175.880 175.880 175.148 0.732 25137 10233 1 15 . 1 1 90 90 GLY CA C 90 48.310 48.310 46.840 1.470 25137 10234 1 15 . 1 1 90 90 GLY H H 90 7.790 7.790 7.576 0.214 25137 10235 1 15 . 1 1 91 91 GLU N N 91 120.490 120.490 120.058 0.432 25137 10236 1 15 . 1 1 91 91 GLU HA H 91 4.043 4.043 4.033 0.010 25137 10237 1 15 . 1 1 91 91 GLU C C 91 178.410 178.410 178.615 -0.205 25137 10238 1 15 . 1 1 91 91 GLU CA C 91 59.200 59.200 58.122 1.078 25137 10239 1 15 . 1 1 91 91 GLU CB C 91 29.240 29.240 29.250 -0.010 25137 10240 1 15 . 1 1 91 91 GLU H H 91 8.580 8.580 8.437 0.143 25137 10241 1 15 . 1 1 92 92 LEU N N 92 121.740 121.740 120.900 0.840 25137 10242 1 15 . 1 1 92 92 LEU HA H 92 4.048 4.048 4.050 -0.002 25137 10243 1 15 . 1 1 92 92 LEU C C 92 178.630 178.630 177.995 0.635 25137 10244 1 15 . 1 1 92 92 LEU CA C 92 57.690 57.690 57.866 -0.176 25137 10245 1 15 . 1 1 92 92 LEU CB C 92 41.820 41.820 41.957 -0.137 25137 10246 1 15 . 1 1 92 92 LEU H H 92 7.690 7.690 7.538 0.152 25137 10247 1 15 . 1 1 93 93 LEU N N 93 117.310 117.310 117.230 0.080 25137 10248 1 15 . 1 1 93 93 LEU HA H 93 3.881 3.881 3.967 -0.086 25137 10249 1 15 . 1 1 93 93 LEU C C 93 174.967 174.967 178.962 -3.995 25137 10250 1 15 . 1 1 93 93 LEU CA C 93 57.940 57.940 57.387 0.553 25137 10251 1 15 . 1 1 93 93 LEU CB C 93 40.640 40.640 40.353 0.286 25137 10252 1 15 . 1 1 93 93 LEU H H 93 8.160 8.160 7.514 0.646 25137 10253 1 15 . 1 1 94 94 ARG N N 94 117.940 117.940 117.412 0.528 25137 10254 1 15 . 1 1 94 94 ARG HA H 94 4.120 4.120 4.057 0.063 25137 10255 1 15 . 1 1 94 94 ARG C C 94 177.870 177.870 177.531 0.339 25137 10256 1 15 . 1 1 94 94 ARG CA C 94 58.450 58.450 58.719 -0.269 25137 10257 1 15 . 1 1 94 94 ARG CB C 94 30.370 30.370 29.865 0.505 25137 10258 1 15 . 1 1 94 94 ARG H H 94 7.770 7.770 7.530 0.240 25137 10259 1 15 . 1 1 95 95 LYS N N 95 118.380 118.380 117.174 1.206 25137 10260 1 15 . 1 1 95 95 LYS HA H 95 4.160 4.160 4.245 -0.085 25137 10261 1 15 . 1 1 95 95 LYS C C 95 177.730 177.730 177.750 -0.020 25137 10262 1 15 . 1 1 95 95 LYS CA C 95 57.600 57.600 58.076 -0.476 25137 10263 1 15 . 1 1 95 95 LYS CB C 95 32.770 32.770 32.974 -0.204 25137 10264 1 15 . 1 1 95 95 LYS H H 95 7.640 7.640 7.576 0.064 25137 10265 1 15 . 1 1 96 96 ILE N N 96 120.160 120.160 118.021 2.139 25137 10266 1 15 . 1 1 96 96 ILE HA H 96 3.781 3.781 4.010 -0.229 25137 10267 1 15 . 1 1 96 96 ILE C C 96 175.840 175.840 175.657 0.183 25137 10268 1 15 . 1 1 96 96 ILE CA C 96 63.720 63.720 63.654 0.067 25137 10269 1 15 . 1 1 96 96 ILE CB C 96 38.670 38.670 39.019 -0.349 25137 10270 1 15 . 1 1 96 96 ILE H H 96 7.980 7.980 7.337 0.643 25137 10271 1 15 . 1 1 97 97 ASP N N 97 120.510 120.510 120.133 0.377 25137 10272 1 15 . 1 1 97 97 ASP HA H 97 4.380 4.380 4.232 0.148 25137 10273 1 15 . 1 1 97 97 ASP C C 97 173.580 173.580 174.032 -0.452 25137 10274 1 15 . 1 1 97 97 ASP CA C 97 54.300 54.300 55.141 -0.841 25137 10275 1 15 . 1 1 97 97 ASP CB C 97 39.490 39.490 40.056 -0.566 25137 10276 1 15 . 1 1 97 97 ASP H H 97 8.160 8.160 8.322 -0.162 25137 10277 1 15 . 1 1 98 98 ALA N N 98 123.800 123.800 123.568 0.232 25137 10278 1 15 . 1 1 98 98 ALA HA H 98 4.550 4.550 4.524 0.026 25137 10279 1 15 . 1 1 98 98 ALA CA C 98 49.860 49.860 50.608 -0.747 25137 10280 1 15 . 1 1 98 98 ALA CB C 98 21.070 21.070 20.159 0.911 25137 10281 1 15 . 1 1 98 98 ALA H H 98 7.680 7.680 7.970 -0.290 25137 10282 1 15 . 1 1 99 99 PRO HA H 99 4.370 4.370 4.459 -0.089 25137 10283 1 15 . 1 1 99 99 PRO C C 99 174.760 174.760 175.389 -0.629 25137 10284 1 15 . 1 1 99 99 PRO CA C 99 62.950 62.950 63.438 -0.488 25137 10285 1 15 . 1 1 99 99 PRO CB C 99 32.310 32.310 32.136 0.174 25137 10286 1 15 . 1 1 100 100 VAL N N 100 120.490 120.490 122.619 -2.129 25137 10287 1 15 . 1 1 100 100 VAL HA H 100 4.832 4.832 4.597 0.235 25137 10288 1 15 . 1 1 100 100 VAL C C 100 176.650 176.650 175.484 1.166 25137 10289 1 15 . 1 1 100 100 VAL CA C 100 60.450 60.450 61.488 -1.038 25137 10290 1 15 . 1 1 100 100 VAL CB C 100 34.830 34.830 33.959 0.872 25137 10291 1 15 . 1 1 100 100 VAL H H 100 8.270 8.270 8.278 -0.008 25137 10292 1 15 . 1 1 101 101 MET N N 101 127.420 127.420 127.337 0.083 25137 10293 1 15 . 1 1 101 101 MET HA H 101 4.705 4.705 4.730 -0.025 25137 10294 1 15 . 1 1 101 101 MET C C 101 174.490 174.490 175.062 -0.572 25137 10295 1 15 . 1 1 101 101 MET CA C 101 54.730 54.730 53.381 1.349 25137 10296 1 15 . 1 1 101 101 MET CB C 101 34.560 34.560 31.695 2.865 25137 10297 1 15 . 1 1 101 101 MET H H 101 9.240 9.240 8.816 0.424 25137 10298 1 15 . 1 1 102 102 ALA N N 102 128.590 128.590 128.703 -0.113 25137 10299 1 15 . 1 1 102 102 ALA HA H 102 4.608 4.608 5.189 -0.581 25137 10300 1 15 . 1 1 102 102 ALA C C 102 177.935 177.935 176.929 1.006 25137 10301 1 15 . 1 1 102 102 ALA CA C 102 51.930 51.930 51.303 0.627 25137 10302 1 15 . 1 1 102 102 ALA CB C 102 19.040 19.040 20.351 -1.311 25137 10303 1 15 . 1 1 102 102 ALA H H 102 8.760 8.760 8.380 0.380 25137 10304 1 15 . 1 1 103 103 LYS N N 103 120.200 120.200 121.418 -1.218 25137 10305 1 15 . 1 1 103 103 LYS HA H 103 4.284 4.284 4.874 -0.590 25137 10306 1 15 . 1 1 103 103 LYS CA C 103 54.370 54.370 54.275 0.095 25137 10307 1 15 . 1 1 103 103 LYS CB C 103 34.190 34.190 32.047 2.143 25137 10308 1 15 . 1 1 103 103 LYS H H 103 7.300 7.300 7.916 -0.616 25137 10309 1 15 . 1 1 104 104 PRO HA H 104 4.611 4.611 4.492 0.119 25137 10310 1 15 . 1 1 104 104 PRO C C 104 174.980 174.980 175.526 -0.546 25137 10311 1 15 . 1 1 104 104 PRO CA C 104 62.626 62.626 62.883 -0.257 25137 10312 1 15 . 1 1 104 104 PRO CB C 104 33.867 33.867 32.127 1.740 25137 10313 1 15 . 1 1 105 105 ALA N N 105 125.082 125.082 125.645 -0.563 25137 10314 1 15 . 1 1 105 105 ALA HA H 105 4.576 4.576 4.512 0.064 25137 10315 1 15 . 1 1 105 105 ALA C C 105 176.890 176.890 176.253 0.637 25137 10316 1 15 . 1 1 105 105 ALA CA C 105 51.177 51.177 51.322 -0.145 25137 10317 1 15 . 1 1 105 105 ALA CB C 105 21.735 21.735 21.873 -0.138 25137 10318 1 15 . 1 1 105 105 ALA H H 105 8.668 8.668 8.164 0.504 25137 10319 1 15 . 1 1 106 106 ASP N N 106 122.306 122.306 123.096 -0.790 25137 10320 1 15 . 1 1 106 106 ASP HA H 106 4.636 4.636 4.651 -0.015 25137 10321 1 15 . 1 1 106 106 ASP C C 106 178.383 178.383 177.602 0.781 25137 10322 1 15 . 1 1 106 106 ASP CA C 106 54.312 54.312 53.713 0.599 25137 10323 1 15 . 1 1 106 106 ASP CB C 106 41.260 41.260 42.237 -0.977 25137 10324 1 15 . 1 1 106 106 ASP H H 106 8.867 8.867 8.453 0.414 25137 10325 1 15 . 1 1 107 107 THR N N 107 119.540 119.540 119.002 0.538 25137 10326 1 15 . 1 1 107 107 THR HA H 107 3.573 3.573 3.947 -0.374 25137 10327 1 15 . 1 1 107 107 THR C C 107 176.393 176.393 176.232 0.161 25137 10328 1 15 . 1 1 107 107 THR CA C 107 65.940 65.940 65.478 0.462 25137 10329 1 15 . 1 1 107 107 THR CB C 107 68.191 68.191 68.601 -0.410 25137 10330 1 15 . 1 1 107 107 THR H H 107 8.658 8.658 8.615 0.043 25137 10331 1 15 . 1 1 108 108 SER N N 108 117.095 117.095 117.688 -0.593 25137 10332 1 15 . 1 1 108 108 SER HA H 108 4.140 4.140 4.023 0.117 25137 10333 1 15 . 1 1 108 108 SER C C 108 176.143 176.143 175.842 0.301 25137 10334 1 15 . 1 1 108 108 SER CA C 108 61.650 61.650 62.049 -0.399 25137 10335 1 15 . 1 1 108 108 SER CB C 108 62.450 62.450 62.929 -0.479 25137 10336 1 15 . 1 1 108 108 SER H H 108 8.480 8.480 8.136 0.344 25137 10337 1 15 . 1 1 109 109 ASP N N 109 122.520 122.520 122.944 -0.424 25137 10338 1 15 . 1 1 109 109 ASP HA H 109 4.400 4.400 4.321 0.079 25137 10339 1 15 . 1 1 109 109 ASP C C 109 178.499 178.499 178.433 0.066 25137 10340 1 15 . 1 1 109 109 ASP CA C 109 56.990 56.990 58.283 -1.293 25137 10341 1 15 . 1 1 109 109 ASP CB C 109 40.560 40.560 40.781 -0.221 25137 10342 1 15 . 1 1 109 109 ASP H H 109 7.350 7.350 7.653 -0.303 25137 10343 1 15 . 1 1 110 110 VAL N N 110 120.210 120.210 119.715 0.495 25137 10344 1 15 . 1 1 110 110 VAL HA H 110 3.262 3.262 3.463 -0.201 25137 10345 1 15 . 1 1 110 110 VAL C C 110 176.535 176.535 177.617 -1.082 25137 10346 1 15 . 1 1 110 110 VAL CA C 110 66.090 66.090 66.307 -0.217 25137 10347 1 15 . 1 1 110 110 VAL CB C 110 31.400 31.400 31.351 0.049 25137 10348 1 15 . 1 1 110 110 VAL H H 110 7.440 7.440 8.054 -0.614 25137 10349 1 15 . 1 1 111 111 ALA N N 111 118.790 118.790 121.807 -3.017 25137 10350 1 15 . 1 1 111 111 ALA HA H 111 3.264 3.264 2.638 0.626 25137 10351 1 15 . 1 1 111 111 ALA C C 111 179.030 179.030 179.099 -0.069 25137 10352 1 15 . 1 1 111 111 ALA CA C 111 54.590 54.590 54.719 -0.129 25137 10353 1 15 . 1 1 111 111 ALA CB C 111 16.480 16.480 17.390 -0.910 25137 10354 1 15 . 1 1 111 111 ALA H H 111 7.610 7.610 7.762 -0.152 25137 10355 1 15 . 1 1 112 112 LYS N N 112 115.540 115.540 118.628 -3.088 25137 10356 1 15 . 1 1 112 112 LYS HA H 112 3.750 3.750 3.848 -0.098 25137 10357 1 15 . 1 1 112 112 LYS C C 112 179.470 179.470 179.153 0.317 25137 10358 1 15 . 1 1 112 112 LYS CA C 112 60.020 60.020 59.832 0.188 25137 10359 1 15 . 1 1 112 112 LYS CB C 112 32.680 32.680 32.208 0.472 25137 10360 1 15 . 1 1 112 112 LYS H H 112 7.840 7.840 8.112 -0.272 25137 10361 1 15 . 1 1 113 113 ARG N N 113 118.590 118.590 118.304 0.286 25137 10362 1 15 . 1 1 113 113 ARG HA H 113 4.021 4.021 4.020 0.001 25137 10363 1 15 . 1 1 113 113 ARG C C 113 179.120 179.120 178.738 0.382 25137 10364 1 15 . 1 1 113 113 ARG CA C 113 58.180 58.180 58.697 -0.517 25137 10365 1 15 . 1 1 113 113 ARG CB C 113 29.530 29.530 29.564 -0.034 25137 10366 1 15 . 1 1 113 113 ARG H H 113 7.860 7.860 8.199 -0.339 25137 10367 1 15 . 1 1 114 114 ALA N N 114 120.520 120.520 121.959 -1.439 25137 10368 1 15 . 1 1 114 114 ALA HA H 114 4.046 4.046 4.209 -0.163 25137 10369 1 15 . 1 1 114 114 ALA C C 114 179.280 179.280 179.744 -0.464 25137 10370 1 15 . 1 1 114 114 ALA CA C 114 55.070 55.070 54.977 0.093 25137 10371 1 15 . 1 1 114 114 ALA CB C 114 17.920 17.920 18.797 -0.877 25137 10372 1 15 . 1 1 114 114 ALA H H 114 8.190 8.190 7.786 0.404 25137 10373 1 15 . 1 1 115 115 LEU N N 115 115.820 115.820 118.458 -2.638 25137 10374 1 15 . 1 1 115 115 LEU HA H 115 4.225 4.225 4.021 0.204 25137 10375 1 15 . 1 1 115 115 LEU C C 115 180.490 180.490 179.359 1.131 25137 10376 1 15 . 1 1 115 115 LEU CA C 115 57.600 57.600 57.565 0.035 25137 10377 1 15 . 1 1 115 115 LEU CB C 115 40.590 40.590 41.484 -0.895 25137 10378 1 15 . 1 1 115 115 LEU H H 115 8.320 8.320 8.555 -0.235 25137 10379 1 15 . 1 1 116 116 GLU N N 116 119.789 119.789 119.521 0.268 25137 10380 1 15 . 1 1 116 116 GLU HA H 116 4.109 4.109 4.018 0.091 25137 10381 1 15 . 1 1 116 116 GLU C C 116 178.790 178.790 179.275 -0.485 25137 10382 1 15 . 1 1 116 116 GLU CA C 116 58.625 58.625 59.563 -0.938 25137 10383 1 15 . 1 1 116 116 GLU CB C 116 29.548 29.548 29.154 0.395 25137 10384 1 15 . 1 1 116 116 GLU H H 116 7.904 7.904 8.652 -0.748 25137 10385 1 15 . 1 1 117 117 MET N N 117 116.426 116.426 117.138 -0.712 25137 10386 1 15 . 1 1 117 117 MET HA H 117 4.245 4.245 4.287 -0.042 25137 10387 1 15 . 1 1 117 117 MET C C 117 176.890 176.890 178.510 -1.620 25137 10388 1 15 . 1 1 117 117 MET CA C 117 57.638 57.638 57.862 -0.224 25137 10389 1 15 . 1 1 117 117 MET CB C 117 33.467 33.467 32.536 0.931 25137 10390 1 15 . 1 1 117 117 MET H H 117 7.712 7.712 7.666 0.046 25137 10391 1 15 . 1 1 118 118 CYS N N 118 113.993 113.993 118.390 -4.397 25137 10392 1 15 . 1 1 118 118 CYS HA H 118 4.699 4.699 4.256 0.443 25137 10393 1 15 . 1 1 118 118 CYS C C 118 174.750 174.750 176.134 -1.384 25137 10394 1 15 . 1 1 118 118 CYS CA C 118 58.541 58.541 59.961 -1.420 25137 10395 1 15 . 1 1 118 118 CYS CB C 118 28.552 28.552 28.681 -0.129 25137 10396 1 15 . 1 1 118 118 CYS H H 118 7.428 7.428 7.725 -0.297 25137 10397 1 15 . 1 1 119 119 GLY N N 119 109.823 109.823 109.367 0.456 25137 10398 1 15 . 1 1 119 119 GLY C C 119 174.660 174.660 173.882 0.778 25137 10399 1 15 . 1 1 119 119 GLY CA C 119 45.709 45.709 44.775 0.934 25137 10400 1 15 . 1 1 119 119 GLY H H 119 8.056 8.056 7.836 0.220 25137 10401 1 15 . 1 1 120 120 GLY N N 120 108.821 108.821 109.134 -0.313 25137 10402 1 15 . 1 1 120 120 GLY C C 120 173.790 173.790 174.063 -0.273 25137 10403 1 15 . 1 1 120 120 GLY CA C 120 45.326 45.326 43.716 1.610 25137 10404 1 15 . 1 1 120 120 GLY H H 120 8.301 8.301 7.820 0.481 25137 10405 1 15 . 1 1 121 121 ASP N N 121 120.383 120.383 121.588 -1.205 25137 10406 1 15 . 1 1 121 121 ASP HA H 121 4.591 4.591 4.637 -0.046 25137 10407 1 15 . 1 1 121 121 ASP C C 121 176.160 176.160 175.590 0.570 25137 10408 1 15 . 1 1 121 121 ASP CA C 121 54.313 54.313 54.611 -0.298 25137 10409 1 15 . 1 1 121 121 ASP CB C 121 41.079 41.079 40.273 0.806 25137 10410 1 15 . 1 1 121 121 ASP H H 121 8.438 8.438 8.560 -0.122 25137 10411 1 15 . 1 1 122 122 LYS N N 122 121.450 121.450 125.353 -3.903 25137 10412 1 15 . 1 1 122 122 LYS HA H 122 4.350 4.350 4.478 -0.128 25137 10413 1 15 . 1 1 122 122 LYS C C 122 177.184 177.184 175.552 1.632 25137 10414 1 15 . 1 1 122 122 LYS CA C 122 55.890 55.890 55.481 0.409 25137 10415 1 15 . 1 1 122 122 LYS CB C 122 33.190 33.190 32.287 0.903 25137 10416 1 15 . 1 1 122 122 LYS H H 122 8.258 8.258 8.286 -0.028 25137 10417 1 15 . 1 1 123 123 GLU N N 123 123.560 123.560 124.730 -1.170 25137 10418 1 15 . 1 1 123 123 GLU HA H 123 4.550 4.550 4.531 0.019 25137 10419 1 15 . 1 1 123 123 GLU CA C 123 54.470 54.470 54.206 0.264 25137 10420 1 15 . 1 1 123 123 GLU CB C 123 29.640 29.640 29.618 0.022 25137 10421 1 15 . 1 1 123 123 GLU H H 123 8.420 8.420 8.352 0.068 25137 10422 1 15 . 1 1 124 124 PRO HA H 124 4.384 4.384 4.343 0.041 25137 10423 1 15 . 1 1 124 124 PRO C C 124 175.770 175.770 175.770 0.000 25137 10424 1 15 . 1 1 124 124 PRO CA C 124 63.350 63.350 63.161 0.189 25137 10425 1 15 . 1 1 124 124 PRO CB C 124 32.300 32.300 31.376 0.924 25137 10426 1 16 . 1 1 2 2 ALA N N 2 123.423 123.423 121.105 2.318 25137 10427 1 16 . 1 1 2 2 ALA HA H 2 4.357 4.357 4.100 0.257 25137 10428 1 16 . 1 1 2 2 ALA C C 2 177.811 177.811 177.496 0.315 25137 10429 1 16 . 1 1 2 2 ALA CA C 2 52.652 52.652 53.179 -0.527 25137 10430 1 16 . 1 1 2 2 ALA CB C 2 19.488 19.488 18.097 1.391 25137 10431 1 16 . 1 1 2 2 ALA H H 2 7.983 7.983 8.632 -0.649 25137 10432 1 16 . 1 1 3 3 MET N N 3 119.390 119.390 116.415 2.975 25137 10433 1 16 . 1 1 3 3 MET HA H 3 4.482 4.482 4.566 -0.084 25137 10434 1 16 . 1 1 3 3 MET C C 3 176.569 176.569 177.509 -0.940 25137 10435 1 16 . 1 1 3 3 MET CA C 3 55.570 55.570 55.317 0.253 25137 10436 1 16 . 1 1 3 3 MET CB C 3 32.900 32.900 33.452 -0.552 25137 10437 1 16 . 1 1 3 3 MET H H 3 8.570 8.570 8.362 0.208 25137 10438 1 16 . 1 1 4 4 GLY N N 4 110.130 110.130 110.070 0.060 25137 10439 1 16 . 1 1 4 4 GLY C C 4 173.630 173.630 174.660 -1.030 25137 10440 1 16 . 1 1 4 4 GLY CA C 4 45.270 45.270 45.273 -0.003 25137 10441 1 16 . 1 1 4 4 GLY H H 4 8.370 8.370 8.257 0.113 25137 10442 1 16 . 1 1 5 5 MET N N 5 121.570 121.570 122.854 -1.284 25137 10443 1 16 . 1 1 5 5 MET HA H 5 4.780 4.780 4.781 -0.001 25137 10444 1 16 . 1 1 5 5 MET CA C 5 53.630 53.630 53.925 -0.295 25137 10445 1 16 . 1 1 5 5 MET CB C 5 33.140 33.140 33.577 -0.437 25137 10446 1 16 . 1 1 5 5 MET H H 5 8.210 8.210 7.875 0.335 25137 10447 1 16 . 1 1 6 6 PRO HA H 6 4.505 4.505 4.513 -0.008 25137 10448 1 16 . 1 1 6 6 PRO C C 6 174.520 174.520 175.708 -1.188 25137 10449 1 16 . 1 1 6 6 PRO CA C 6 62.980 62.980 62.437 0.543 25137 10450 1 16 . 1 1 6 6 PRO CB C 6 32.400 32.400 32.386 0.014 25137 10451 1 16 . 1 1 7 7 LYS N N 7 123.443 123.443 125.670 -2.227 25137 10452 1 16 . 1 1 7 7 LYS HA H 7 5.000 5.000 4.568 0.432 25137 10453 1 16 . 1 1 7 7 LYS C C 7 175.920 175.920 175.781 0.139 25137 10454 1 16 . 1 1 7 7 LYS CA C 7 54.911 54.911 55.326 -0.415 25137 10455 1 16 . 1 1 7 7 LYS CB C 7 33.635 33.635 32.514 1.121 25137 10456 1 16 . 1 1 7 7 LYS H H 7 9.675 9.675 8.876 0.799 25137 10457 1 16 . 1 1 8 8 VAL N N 8 125.859 125.859 127.499 -1.640 25137 10458 1 16 . 1 1 8 8 VAL HA H 8 4.723 4.723 5.063 -0.340 25137 10459 1 16 . 1 1 8 8 VAL C C 8 174.630 174.630 174.166 0.464 25137 10460 1 16 . 1 1 8 8 VAL CA C 8 59.726 59.726 60.304 -0.578 25137 10461 1 16 . 1 1 8 8 VAL CB C 8 34.991 34.991 33.021 1.970 25137 10462 1 16 . 1 1 8 8 VAL H H 8 8.851 8.851 9.079 -0.228 25137 10463 1 16 . 1 1 9 9 LEU N N 9 127.114 127.114 130.082 -2.968 25137 10464 1 16 . 1 1 9 9 LEU HA H 9 5.190 5.190 4.780 0.410 25137 10465 1 16 . 1 1 9 9 LEU C C 9 174.090 174.090 174.587 -0.497 25137 10466 1 16 . 1 1 9 9 LEU CA C 9 53.090 53.090 53.175 -0.085 25137 10467 1 16 . 1 1 9 9 LEU CB C 9 45.007 45.007 43.864 1.143 25137 10468 1 16 . 1 1 9 9 LEU H H 9 7.881 7.881 8.668 -0.787 25137 10469 1 16 . 1 1 10 10 VAL N N 10 128.024 128.024 128.650 -0.626 25137 10470 1 16 . 1 1 10 10 VAL HA H 10 4.647 4.647 4.425 0.222 25137 10471 1 16 . 1 1 10 10 VAL C C 10 172.900 172.900 174.147 -1.247 25137 10472 1 16 . 1 1 10 10 VAL CA C 10 61.206 61.206 62.218 -1.012 25137 10473 1 16 . 1 1 10 10 VAL CB C 10 34.541 34.541 32.712 1.829 25137 10474 1 16 . 1 1 10 10 VAL H H 10 8.952 8.952 9.222 -0.270 25137 10475 1 16 . 1 1 11 11 LEU N N 11 128.979 128.979 130.186 -1.207 25137 10476 1 16 . 1 1 11 11 LEU HA H 11 5.504 5.504 5.325 0.179 25137 10477 1 16 . 1 1 11 11 LEU C C 11 174.450 174.450 175.373 -0.923 25137 10478 1 16 . 1 1 11 11 LEU CA C 11 52.328 52.328 53.123 -0.795 25137 10479 1 16 . 1 1 11 11 LEU CB C 11 45.000 45.000 41.301 3.699 25137 10480 1 16 . 1 1 11 11 LEU H H 11 8.433 8.433 9.225 -0.792 25137 10481 1 16 . 1 1 12 12 GLU N N 12 128.158 128.158 125.019 3.139 25137 10482 1 16 . 1 1 12 12 GLU HA H 12 4.294 4.294 4.576 -0.282 25137 10483 1 16 . 1 1 12 12 GLU C C 12 173.120 173.120 174.612 -1.492 25137 10484 1 16 . 1 1 12 12 GLU CA C 12 56.964 56.964 55.959 1.005 25137 10485 1 16 . 1 1 12 12 GLU CB C 12 32.201 32.201 33.051 -0.850 25137 10486 1 16 . 1 1 12 12 GLU H H 12 8.532 8.532 8.502 0.030 25137 10487 1 16 . 1 1 13 13 ASP N N 13 123.077 123.077 126.079 -3.002 25137 10488 1 16 . 1 1 13 13 ASP HA H 13 4.659 4.659 4.560 0.099 25137 10489 1 16 . 1 1 13 13 ASP C C 13 176.090 176.090 176.859 -0.769 25137 10490 1 16 . 1 1 13 13 ASP CA C 13 55.140 55.140 55.032 0.108 25137 10491 1 16 . 1 1 13 13 ASP CB C 13 40.524 40.524 41.687 -1.163 25137 10492 1 16 . 1 1 13 13 ASP H H 13 8.803 8.803 8.718 0.085 25137 10493 1 16 . 1 1 14 14 GLU N N 14 126.685 126.685 120.488 6.197 25137 10494 1 16 . 1 1 14 14 GLU HA H 14 4.809 4.809 4.615 0.194 25137 10495 1 16 . 1 1 14 14 GLU CA C 14 54.574 54.574 54.130 0.444 25137 10496 1 16 . 1 1 14 14 GLU CB C 14 29.310 29.310 29.547 -0.237 25137 10497 1 16 . 1 1 14 14 GLU H H 14 10.077 10.077 8.308 1.769 25137 10498 1 16 . 1 1 15 15 PRO HA H 15 4.273 4.273 4.179 0.094 25137 10499 1 16 . 1 1 15 15 PRO C C 15 179.110 179.110 178.166 0.944 25137 10500 1 16 . 1 1 15 15 PRO CA C 15 65.472 65.472 65.545 -0.073 25137 10501 1 16 . 1 1 15 15 PRO CB C 15 32.462 32.462 31.840 0.622 25137 10502 1 16 . 1 1 16 16 LEU N N 16 118.358 118.358 117.987 0.371 25137 10503 1 16 . 1 1 16 16 LEU HA H 16 4.131 4.131 4.131 0.000 25137 10504 1 16 . 1 1 16 16 LEU C C 16 179.260 179.260 178.501 0.759 25137 10505 1 16 . 1 1 16 16 LEU CA C 16 58.306 58.306 58.161 0.145 25137 10506 1 16 . 1 1 16 16 LEU CB C 16 41.731 41.731 41.405 0.326 25137 10507 1 16 . 1 1 16 16 LEU H H 16 8.851 8.851 8.241 0.610 25137 10508 1 16 . 1 1 17 17 ILE N N 17 117.680 117.680 119.194 -1.514 25137 10509 1 16 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.654 0.178 25137 10510 1 16 . 1 1 17 17 ILE C C 17 178.230 178.230 177.888 0.342 25137 10511 1 16 . 1 1 17 17 ILE CA C 17 63.344 63.344 64.925 -1.581 25137 10512 1 16 . 1 1 17 17 ILE CB C 17 36.564 36.564 37.398 -0.834 25137 10513 1 16 . 1 1 17 17 ILE H H 17 6.886 6.886 7.583 -0.698 25137 10514 1 16 . 1 1 18 18 ALA N N 18 122.321 122.321 123.346 -1.025 25137 10515 1 16 . 1 1 18 18 ALA HA H 18 3.720 3.720 3.899 -0.179 25137 10516 1 16 . 1 1 18 18 ALA C C 18 178.900 178.900 179.285 -0.385 25137 10517 1 16 . 1 1 18 18 ALA CA C 18 55.890 55.890 55.531 0.359 25137 10518 1 16 . 1 1 18 18 ALA CB C 18 18.165 18.165 18.217 -0.052 25137 10519 1 16 . 1 1 18 18 ALA H H 18 7.988 7.988 8.514 -0.526 25137 10520 1 16 . 1 1 19 19 MET N N 19 115.807 115.807 118.462 -2.655 25137 10521 1 16 . 1 1 19 19 MET HA H 19 3.999 3.999 3.892 0.107 25137 10522 1 16 . 1 1 19 19 MET C C 19 177.180 177.180 178.023 -0.843 25137 10523 1 16 . 1 1 19 19 MET CA C 19 58.144 58.144 59.008 -0.864 25137 10524 1 16 . 1 1 19 19 MET CB C 19 32.852 32.852 32.724 0.128 25137 10525 1 16 . 1 1 19 19 MET H H 19 8.204 8.204 8.523 -0.319 25137 10526 1 16 . 1 1 20 20 ASN N N 20 117.843 117.843 119.272 -1.429 25137 10527 1 16 . 1 1 20 20 ASN HA H 20 4.545 4.545 4.606 -0.061 25137 10528 1 16 . 1 1 20 20 ASN C C 20 179.590 179.590 178.207 1.383 25137 10529 1 16 . 1 1 20 20 ASN CA C 20 56.222 56.222 56.288 -0.065 25137 10530 1 16 . 1 1 20 20 ASN CB C 20 38.005 38.005 38.443 -0.438 25137 10531 1 16 . 1 1 20 20 ASN H H 20 7.839 7.839 8.001 -0.162 25137 10532 1 16 . 1 1 21 21 LEU N N 21 121.749 121.749 121.482 0.267 25137 10533 1 16 . 1 1 21 21 LEU HA H 21 4.055 4.055 4.036 0.019 25137 10534 1 16 . 1 1 21 21 LEU C C 21 177.750 177.750 178.766 -1.016 25137 10535 1 16 . 1 1 21 21 LEU CA C 21 58.268 58.268 58.549 -0.281 25137 10536 1 16 . 1 1 21 21 LEU CB C 21 42.605 42.605 41.883 0.722 25137 10537 1 16 . 1 1 21 21 LEU H H 21 8.601 8.601 8.866 -0.265 25137 10538 1 16 . 1 1 22 22 GLN N N 22 120.991 120.991 119.401 1.590 25137 10539 1 16 . 1 1 22 22 GLN HA H 22 3.935 3.935 3.956 -0.021 25137 10540 1 16 . 1 1 22 22 GLN C C 22 178.070 178.070 178.621 -0.551 25137 10541 1 16 . 1 1 22 22 GLN CA C 22 60.463 60.463 59.390 1.073 25137 10542 1 16 . 1 1 22 22 GLN CB C 22 26.902 26.902 28.496 -1.594 25137 10543 1 16 . 1 1 22 22 GLN H H 22 8.749 8.749 8.300 0.449 25137 10544 1 16 . 1 1 23 23 TYR N N 23 117.446 117.446 118.364 -0.918 25137 10545 1 16 . 1 1 23 23 TYR HA H 23 4.517 4.517 4.441 0.076 25137 10546 1 16 . 1 1 23 23 TYR C C 23 178.210 178.210 178.415 -0.205 25137 10547 1 16 . 1 1 23 23 TYR CA C 23 59.425 59.425 59.197 0.228 25137 10548 1 16 . 1 1 23 23 TYR CB C 23 36.975 36.975 37.748 -0.773 25137 10549 1 16 . 1 1 23 23 TYR H H 23 8.450 8.450 8.269 0.181 25137 10550 1 16 . 1 1 24 24 ALA N N 24 121.627 121.627 123.313 -1.686 25137 10551 1 16 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.035 0.065 25137 10552 1 16 . 1 1 24 24 ALA C C 24 180.910 180.910 179.391 1.519 25137 10553 1 16 . 1 1 24 24 ALA CA C 24 55.060 55.060 54.985 0.075 25137 10554 1 16 . 1 1 24 24 ALA CB C 24 18.070 18.070 18.067 0.003 25137 10555 1 16 . 1 1 24 24 ALA H H 24 7.765 7.765 8.247 -0.482 25137 10556 1 16 . 1 1 25 25 PHE N N 25 115.589 115.589 117.835 -2.246 25137 10557 1 16 . 1 1 25 25 PHE HA H 25 3.940 3.940 4.111 -0.171 25137 10558 1 16 . 1 1 25 25 PHE C C 25 179.090 179.090 178.473 0.617 25137 10559 1 16 . 1 1 25 25 PHE CA C 25 63.453 63.453 62.607 0.846 25137 10560 1 16 . 1 1 25 25 PHE CB C 25 39.484 39.484 38.914 0.570 25137 10561 1 16 . 1 1 25 25 PHE H H 25 8.348 8.348 8.751 -0.403 25137 10562 1 16 . 1 1 26 26 GLU N N 26 121.198 121.198 119.484 1.714 25137 10563 1 16 . 1 1 26 26 GLU HA H 26 4.429 4.429 4.452 -0.023 25137 10564 1 16 . 1 1 26 26 GLU C C 26 181.680 181.680 179.625 2.055 25137 10565 1 16 . 1 1 26 26 GLU CA C 26 59.737 59.737 58.990 0.747 25137 10566 1 16 . 1 1 26 26 GLU CB C 26 28.925 28.925 29.433 -0.508 25137 10567 1 16 . 1 1 26 26 GLU H H 26 8.822 8.822 8.400 0.422 25137 10568 1 16 . 1 1 27 27 ASP N N 27 121.846 121.846 120.421 1.425 25137 10569 1 16 . 1 1 27 27 ASP HA H 27 4.468 4.468 4.468 0.000 25137 10570 1 16 . 1 1 27 27 ASP C C 27 177.880 177.880 177.568 0.312 25137 10571 1 16 . 1 1 27 27 ASP CA C 27 56.996 56.996 56.856 0.140 25137 10572 1 16 . 1 1 27 27 ASP CB C 27 40.640 40.640 40.835 -0.195 25137 10573 1 16 . 1 1 27 27 ASP H H 27 8.424 8.424 8.091 0.333 25137 10574 1 16 . 1 1 28 28 GLU N N 28 115.759 115.759 116.882 -1.123 25137 10575 1 16 . 1 1 28 28 GLU HA H 28 4.331 4.331 4.413 -0.082 25137 10576 1 16 . 1 1 28 28 GLU C C 28 176.460 176.460 176.875 -0.415 25137 10577 1 16 . 1 1 28 28 GLU CA C 28 55.395 55.395 55.911 -0.516 25137 10578 1 16 . 1 1 28 28 GLU CB C 28 30.264 30.264 29.941 0.324 25137 10579 1 16 . 1 1 28 28 GLU H H 28 7.170 7.170 7.615 -0.445 25137 10580 1 16 . 1 1 29 29 GLY N N 29 106.899 106.899 107.623 -0.724 25137 10581 1 16 . 1 1 29 29 GLY C C 29 173.160 173.160 173.007 0.153 25137 10582 1 16 . 1 1 29 29 GLY CA C 29 45.589 45.589 45.370 0.219 25137 10583 1 16 . 1 1 29 29 GLY H H 29 7.889 7.889 7.869 0.020 25137 10584 1 16 . 1 1 30 30 ALA N N 30 121.007 121.007 120.815 0.192 25137 10585 1 16 . 1 1 30 30 ALA HA H 30 4.680 4.680 5.137 -0.457 25137 10586 1 16 . 1 1 30 30 ALA C C 30 175.880 175.880 175.364 0.516 25137 10587 1 16 . 1 1 30 30 ALA CA C 30 50.666 50.666 50.547 0.119 25137 10588 1 16 . 1 1 30 30 ALA CB C 30 21.882 21.882 22.236 -0.354 25137 10589 1 16 . 1 1 30 30 ALA H H 30 7.743 7.743 7.595 0.148 25137 10590 1 16 . 1 1 31 31 GLU N N 31 120.065 120.065 118.720 1.345 25137 10591 1 16 . 1 1 31 31 GLU HA H 31 4.664 4.664 4.788 -0.124 25137 10592 1 16 . 1 1 31 31 GLU C C 31 175.430 175.430 174.862 0.568 25137 10593 1 16 . 1 1 31 31 GLU CA C 31 55.136 55.136 54.017 1.119 25137 10594 1 16 . 1 1 31 31 GLU CB C 31 32.126 32.126 32.535 -0.409 25137 10595 1 16 . 1 1 31 31 GLU H H 31 8.595 8.595 8.480 0.115 25137 10596 1 16 . 1 1 32 32 VAL N N 32 123.414 123.414 123.590 -0.176 25137 10597 1 16 . 1 1 32 32 VAL HA H 32 4.787 4.787 4.825 -0.038 25137 10598 1 16 . 1 1 32 32 VAL C C 32 175.290 175.290 175.601 -0.311 25137 10599 1 16 . 1 1 32 32 VAL CA C 32 60.802 60.802 60.159 0.643 25137 10600 1 16 . 1 1 32 32 VAL CB C 32 34.991 34.991 34.431 0.560 25137 10601 1 16 . 1 1 32 32 VAL H H 32 8.872 8.872 8.404 0.468 25137 10602 1 16 . 1 1 33 33 VAL N N 33 128.158 128.158 126.329 1.829 25137 10603 1 16 . 1 1 33 33 VAL HA H 33 4.226 4.226 4.324 -0.098 25137 10604 1 16 . 1 1 33 33 VAL C C 33 173.830 173.830 174.710 -0.880 25137 10605 1 16 . 1 1 33 33 VAL CA C 33 60.990 60.990 60.742 0.248 25137 10606 1 16 . 1 1 33 33 VAL CB C 33 33.736 33.736 34.078 -0.342 25137 10607 1 16 . 1 1 33 33 VAL H H 33 9.042 9.042 9.073 -0.031 25137 10608 1 16 . 1 1 34 34 VAL N N 34 126.239 126.239 126.489 -0.250 25137 10609 1 16 . 1 1 34 34 VAL HA H 34 4.751 4.751 4.336 0.415 25137 10610 1 16 . 1 1 34 34 VAL C C 34 175.100 175.100 174.981 0.119 25137 10611 1 16 . 1 1 34 34 VAL CA C 34 61.389 61.389 61.567 -0.178 25137 10612 1 16 . 1 1 34 34 VAL CB C 34 33.193 33.193 32.567 0.626 25137 10613 1 16 . 1 1 34 34 VAL H H 34 8.522 8.522 8.519 0.003 25137 10614 1 16 . 1 1 35 35 ALA N N 35 129.955 129.955 129.447 0.508 25137 10615 1 16 . 1 1 35 35 ALA HA H 35 4.682 4.682 5.060 -0.378 25137 10616 1 16 . 1 1 35 35 ALA C C 35 174.380 174.380 175.790 -1.410 25137 10617 1 16 . 1 1 35 35 ALA CA C 35 50.154 50.154 50.784 -0.630 25137 10618 1 16 . 1 1 35 35 ALA CB C 35 22.922 22.922 22.711 0.211 25137 10619 1 16 . 1 1 35 35 ALA H H 35 9.388 9.388 8.858 0.530 25137 10620 1 16 . 1 1 36 36 ALA N N 36 121.011 121.011 122.678 -1.667 25137 10621 1 16 . 1 1 36 36 ALA HA H 36 4.632 4.632 4.581 0.051 25137 10622 1 16 . 1 1 36 36 ALA C C 36 176.490 176.490 176.238 0.252 25137 10623 1 16 . 1 1 36 36 ALA CA C 36 51.778 51.778 52.593 -0.815 25137 10624 1 16 . 1 1 36 36 ALA CB C 36 21.506 21.506 19.430 2.076 25137 10625 1 16 . 1 1 36 36 ALA H H 36 8.539 8.539 8.789 -0.250 25137 10626 1 16 . 1 1 37 37 THR N N 37 102.880 102.880 106.455 -3.575 25137 10627 1 16 . 1 1 37 37 THR HA H 37 4.620 4.620 4.569 0.051 25137 10628 1 16 . 1 1 37 37 THR C C 37 174.710 174.710 175.712 -1.002 25137 10629 1 16 . 1 1 37 37 THR CA C 37 57.520 57.520 59.522 -2.002 25137 10630 1 16 . 1 1 37 37 THR CB C 37 72.972 72.972 71.781 1.190 25137 10631 1 16 . 1 1 37 37 THR H H 37 7.019 7.019 7.304 -0.285 25137 10632 1 16 . 1 1 38 38 CYS N N 38 120.553 120.553 119.494 1.059 25137 10633 1 16 . 1 1 38 38 CYS HA H 38 3.677 3.677 4.035 -0.358 25137 10634 1 16 . 1 1 38 38 CYS C C 38 176.020 176.020 176.868 -0.848 25137 10635 1 16 . 1 1 38 38 CYS CA C 38 63.179 63.179 62.340 0.840 25137 10636 1 16 . 1 1 38 38 CYS CB C 38 26.317 26.317 27.540 -1.223 25137 10637 1 16 . 1 1 38 38 CYS H H 38 9.398 9.398 8.832 0.566 25137 10638 1 16 . 1 1 39 39 GLU N N 39 118.521 118.521 121.387 -2.866 25137 10639 1 16 . 1 1 39 39 GLU HA H 39 3.829 3.829 3.892 -0.063 25137 10640 1 16 . 1 1 39 39 GLU C C 39 179.470 179.470 179.012 0.458 25137 10641 1 16 . 1 1 39 39 GLU CA C 39 60.594 60.594 59.968 0.626 25137 10642 1 16 . 1 1 39 39 GLU CB C 39 28.963 28.963 29.176 -0.213 25137 10643 1 16 . 1 1 39 39 GLU H H 39 8.960 8.960 8.498 0.462 25137 10644 1 16 . 1 1 40 40 GLN N N 40 118.602 118.602 118.763 -0.161 25137 10645 1 16 . 1 1 40 40 GLN HA H 40 4.021 4.021 3.904 0.117 25137 10646 1 16 . 1 1 40 40 GLN C C 40 176.211 176.211 178.459 -2.248 25137 10647 1 16 . 1 1 40 40 GLN CA C 40 58.306 58.306 58.970 -0.664 25137 10648 1 16 . 1 1 40 40 GLN CB C 40 28.925 28.925 28.547 0.378 25137 10649 1 16 . 1 1 40 40 GLN H H 40 7.855 7.855 8.056 -0.201 25137 10650 1 16 . 1 1 41 41 ALA N N 41 122.395 122.395 122.746 -0.351 25137 10651 1 16 . 1 1 41 41 ALA HA H 41 3.735 3.735 3.955 -0.220 25137 10652 1 16 . 1 1 41 41 ALA C C 41 178.440 178.440 179.641 -1.201 25137 10653 1 16 . 1 1 41 41 ALA CA C 41 55.178 55.178 55.250 -0.072 25137 10654 1 16 . 1 1 41 41 ALA CB C 41 19.872 19.872 18.456 1.416 25137 10655 1 16 . 1 1 41 41 ALA H H 41 8.009 8.009 7.686 0.323 25137 10656 1 16 . 1 1 42 42 LEU N N 42 116.832 116.832 118.185 -1.353 25137 10657 1 16 . 1 1 42 42 LEU HA H 42 3.875 3.875 3.872 0.003 25137 10658 1 16 . 1 1 42 42 LEU C C 42 180.080 180.080 179.105 0.975 25137 10659 1 16 . 1 1 42 42 LEU CA C 42 58.011 58.011 57.489 0.522 25137 10660 1 16 . 1 1 42 42 LEU CB C 42 40.961 40.961 41.274 -0.313 25137 10661 1 16 . 1 1 42 42 LEU H H 42 8.497 8.497 8.663 -0.166 25137 10662 1 16 . 1 1 43 43 LYS N N 43 121.087 121.087 120.695 0.392 25137 10663 1 16 . 1 1 43 43 LYS HA H 43 4.065 4.065 3.989 0.076 25137 10664 1 16 . 1 1 43 43 LYS C C 43 178.500 178.500 178.995 -0.495 25137 10665 1 16 . 1 1 43 43 LYS CA C 43 59.256 59.256 59.118 0.138 25137 10666 1 16 . 1 1 43 43 LYS CB C 43 32.295 32.295 32.156 0.139 25137 10667 1 16 . 1 1 43 43 LYS H H 43 7.593 7.593 8.182 -0.589 25137 10668 1 16 . 1 1 44 44 SER N N 44 115.150 115.150 116.087 -0.937 25137 10669 1 16 . 1 1 44 44 SER HA H 44 4.130 4.130 4.190 -0.060 25137 10670 1 16 . 1 1 44 44 SER C C 44 176.430 176.430 177.061 -0.631 25137 10671 1 16 . 1 1 44 44 SER CA C 44 62.900 62.900 61.704 1.196 25137 10672 1 16 . 1 1 44 44 SER CB C 44 62.900 62.900 62.738 0.162 25137 10673 1 16 . 1 1 44 44 SER H H 44 8.100 8.100 8.270 -0.170 25137 10674 1 16 . 1 1 45 45 LEU N N 45 120.050 120.050 122.832 -2.782 25137 10675 1 16 . 1 1 45 45 LEU HA H 45 4.121 4.121 4.025 0.096 25137 10676 1 16 . 1 1 45 45 LEU C C 45 177.260 177.260 177.820 -0.560 25137 10677 1 16 . 1 1 45 45 LEU CA C 45 56.770 56.770 57.524 -0.754 25137 10678 1 16 . 1 1 45 45 LEU CB C 45 42.389 42.389 41.165 1.224 25137 10679 1 16 . 1 1 45 45 LEU H H 45 8.050 8.050 8.416 -0.366 25137 10680 1 16 . 1 1 46 46 ALA N N 46 119.940 119.940 118.788 1.152 25137 10681 1 16 . 1 1 46 46 ALA HA H 46 4.093 4.093 4.106 -0.013 25137 10682 1 16 . 1 1 46 46 ALA C C 46 179.310 179.310 180.042 -0.732 25137 10683 1 16 . 1 1 46 46 ALA CA C 46 54.126 54.126 54.269 -0.143 25137 10684 1 16 . 1 1 46 46 ALA CB C 46 18.412 18.412 18.687 -0.275 25137 10685 1 16 . 1 1 46 46 ALA H H 46 7.360 7.360 7.412 -0.052 25137 10686 1 16 . 1 1 47 47 ASP N N 47 115.277 115.277 118.848 -3.571 25137 10687 1 16 . 1 1 47 47 ASP HA H 47 4.610 4.610 4.541 0.069 25137 10688 1 16 . 1 1 47 47 ASP C C 47 175.930 175.930 176.480 -0.550 25137 10689 1 16 . 1 1 47 47 ASP CA C 47 55.087 55.087 55.992 -0.905 25137 10690 1 16 . 1 1 47 47 ASP CB C 47 42.364 42.364 41.833 0.531 25137 10691 1 16 . 1 1 47 47 ASP H H 47 7.583 7.583 8.326 -0.743 25137 10692 1 16 . 1 1 48 48 ASN N N 48 116.977 116.977 117.802 -0.825 25137 10693 1 16 . 1 1 48 48 ASN HA H 48 5.219 5.219 5.143 0.076 25137 10694 1 16 . 1 1 48 48 ASN CA C 48 51.096 51.096 50.705 0.392 25137 10695 1 16 . 1 1 48 48 ASN CB C 48 42.381 42.381 40.574 1.807 25137 10696 1 16 . 1 1 48 48 ASN H H 48 7.727 7.727 8.154 -0.427 25137 10697 1 16 . 1 1 49 49 PRO HA H 49 4.551 4.551 4.622 -0.071 25137 10698 1 16 . 1 1 49 49 PRO C C 49 174.890 174.890 175.449 -0.559 25137 10699 1 16 . 1 1 49 49 PRO CA C 49 62.093 62.093 62.212 -0.119 25137 10700 1 16 . 1 1 49 49 PRO CB C 49 29.940 29.940 31.065 -1.125 25137 10701 1 16 . 1 1 50 50 ILE N N 50 122.280 122.280 123.200 -0.920 25137 10702 1 16 . 1 1 50 50 ILE HA H 50 3.908 3.908 3.958 -0.050 25137 10703 1 16 . 1 1 50 50 ILE C C 50 174.840 174.840 176.418 -1.578 25137 10704 1 16 . 1 1 50 50 ILE CA C 50 58.580 58.580 60.861 -2.281 25137 10705 1 16 . 1 1 50 50 ILE CB C 50 38.850 38.850 37.227 1.623 25137 10706 1 16 . 1 1 50 50 ILE H H 50 7.420 7.420 7.828 -0.408 25137 10707 1 16 . 1 1 51 51 ASP N N 51 123.770 123.770 127.241 -3.471 25137 10708 1 16 . 1 1 51 51 ASP HA H 51 4.749 4.749 4.861 -0.112 25137 10709 1 16 . 1 1 51 51 ASP C C 51 175.114 175.114 175.637 -0.523 25137 10710 1 16 . 1 1 51 51 ASP CA C 51 56.930 56.930 55.889 1.041 25137 10711 1 16 . 1 1 51 51 ASP CB C 51 44.360 44.360 43.422 0.938 25137 10712 1 16 . 1 1 51 51 ASP H H 51 9.310 9.310 8.857 0.453 25137 10713 1 16 . 1 1 52 52 VAL N N 52 114.454 114.454 116.407 -1.953 25137 10714 1 16 . 1 1 52 52 VAL HA H 52 4.874 4.874 5.104 -0.230 25137 10715 1 16 . 1 1 52 52 VAL C C 52 171.129 171.129 173.012 -1.883 25137 10716 1 16 . 1 1 52 52 VAL CA C 52 59.850 59.850 59.992 -0.142 25137 10717 1 16 . 1 1 52 52 VAL CB C 52 32.980 32.980 35.035 -2.055 25137 10718 1 16 . 1 1 52 52 VAL H H 52 7.580 7.580 7.598 -0.018 25137 10719 1 16 . 1 1 53 53 ALA N N 53 124.620 124.620 125.874 -1.254 25137 10720 1 16 . 1 1 53 53 ALA HA H 53 5.665 5.665 5.214 0.451 25137 10721 1 16 . 1 1 53 53 ALA C C 53 175.100 175.100 175.103 -0.003 25137 10722 1 16 . 1 1 53 53 ALA CA C 53 49.810 49.810 50.471 -0.660 25137 10723 1 16 . 1 1 53 53 ALA CB C 53 25.750 25.750 22.856 2.894 25137 10724 1 16 . 1 1 53 53 ALA H H 53 7.780 7.780 8.327 -0.547 25137 10725 1 16 . 1 1 54 54 VAL N N 54 118.950 118.950 115.992 2.958 25137 10726 1 16 . 1 1 54 54 VAL HA H 54 4.647 4.647 5.222 -0.575 25137 10727 1 16 . 1 1 54 54 VAL C C 54 174.020 174.020 174.326 -0.306 25137 10728 1 16 . 1 1 54 54 VAL CA C 54 61.580 61.580 60.733 0.848 25137 10729 1 16 . 1 1 54 54 VAL CB C 54 34.320 34.320 33.887 0.433 25137 10730 1 16 . 1 1 54 54 VAL H H 54 8.730 8.730 8.950 -0.220 25137 10731 1 16 . 1 1 55 55 LEU N N 55 124.820 124.820 128.410 -3.590 25137 10732 1 16 . 1 1 55 55 LEU HA H 55 4.953 4.953 4.753 0.200 25137 10733 1 16 . 1 1 55 55 LEU C C 55 176.110 176.110 175.551 0.559 25137 10734 1 16 . 1 1 55 55 LEU CA C 55 53.540 53.540 53.858 -0.318 25137 10735 1 16 . 1 1 55 55 LEU CB C 55 42.690 42.690 43.886 -1.196 25137 10736 1 16 . 1 1 55 55 LEU H H 55 9.240 9.240 9.287 -0.047 25137 10737 1 16 . 1 1 56 56 ASP N N 56 124.220 124.220 124.824 -0.604 25137 10738 1 16 . 1 1 56 56 ASP HA H 56 5.629 5.629 4.817 0.812 25137 10739 1 16 . 1 1 56 56 ASP C C 56 174.460 174.460 176.424 -1.964 25137 10740 1 16 . 1 1 56 56 ASP CA C 56 52.930 52.930 52.903 0.027 25137 10741 1 16 . 1 1 56 56 ASP CB C 56 43.400 43.400 42.620 0.780 25137 10742 1 16 . 1 1 56 56 ASP H H 56 8.360 8.360 8.841 -0.481 25137 10743 1 16 . 1 1 57 57 VAL N N 57 119.581 119.581 124.144 -4.563 25137 10744 1 16 . 1 1 57 57 VAL HA H 57 4.239 4.239 3.987 0.252 25137 10745 1 16 . 1 1 57 57 VAL C C 57 175.480 175.480 175.972 -0.492 25137 10746 1 16 . 1 1 57 57 VAL CA C 57 64.564 64.564 62.531 2.033 25137 10747 1 16 . 1 1 57 57 VAL CB C 57 32.520 32.520 31.111 1.409 25137 10748 1 16 . 1 1 57 57 VAL H H 57 7.022 7.022 8.516 -1.494 25137 10749 1 16 . 1 1 58 58 ASN N N 58 114.490 114.490 118.985 -4.495 25137 10750 1 16 . 1 1 58 58 ASN HA H 58 4.693 4.693 4.967 -0.274 25137 10751 1 16 . 1 1 58 58 ASN C C 58 173.400 173.400 175.251 -1.851 25137 10752 1 16 . 1 1 58 58 ASN CA C 58 53.570 53.570 51.775 1.795 25137 10753 1 16 . 1 1 58 58 ASN CB C 58 38.820 38.820 37.991 0.829 25137 10754 1 16 . 1 1 58 58 ASN H H 58 8.600 8.600 8.245 0.355 25137 10755 1 16 . 1 1 59 59 LEU N N 59 130.670 130.670 120.602 10.068 25137 10756 1 16 . 1 1 59 59 LEU HA H 59 4.647 4.647 4.247 0.400 25137 10757 1 16 . 1 1 59 59 LEU C C 59 175.340 175.340 177.454 -2.114 25137 10758 1 16 . 1 1 59 59 LEU CA C 59 53.550 53.550 55.989 -2.439 25137 10759 1 16 . 1 1 59 59 LEU CB C 59 41.430 41.430 42.374 -0.944 25137 10760 1 16 . 1 1 59 59 LEU H H 59 8.260 8.260 8.033 0.227 25137 10761 1 16 . 1 1 60 60 GLY N N 60 109.030 109.030 103.995 5.035 25137 10762 1 16 . 1 1 60 60 GLY CA C 60 44.610 44.610 45.081 -0.471 25137 10763 1 16 . 1 1 60 60 GLY H H 60 7.860 7.860 7.688 0.172 25137 10764 1 16 . 1 1 61 61 PRO HA H 61 4.385 4.385 4.281 0.104 25137 10765 1 16 . 1 1 61 61 PRO C C 61 177.960 177.960 177.101 0.859 25137 10766 1 16 . 1 1 61 61 PRO CA C 61 64.888 64.888 65.023 -0.135 25137 10767 1 16 . 1 1 61 61 PRO CB C 61 32.070 32.070 32.123 -0.053 25137 10768 1 16 . 1 1 62 62 LYS N N 62 115.984 115.984 114.522 1.462 25137 10769 1 16 . 1 1 62 62 LYS HA H 62 4.524 4.524 4.451 0.073 25137 10770 1 16 . 1 1 62 62 LYS C C 62 175.810 175.810 175.551 0.259 25137 10771 1 16 . 1 1 62 62 LYS CA C 62 55.444 55.444 56.187 -0.743 25137 10772 1 16 . 1 1 62 62 LYS CB C 62 33.216 33.216 33.319 -0.103 25137 10773 1 16 . 1 1 62 62 LYS H H 62 8.625 8.625 7.771 0.854 25137 10774 1 16 . 1 1 63 63 SER N N 63 113.432 113.432 116.733 -3.301 25137 10775 1 16 . 1 1 63 63 SER HA H 63 4.609 4.609 4.255 0.354 25137 10776 1 16 . 1 1 63 63 SER C C 63 172.560 172.560 173.052 -0.492 25137 10777 1 16 . 1 1 63 63 SER CA C 63 57.715 57.715 58.864 -1.149 25137 10778 1 16 . 1 1 63 63 SER CB C 63 64.866 64.866 63.226 1.640 25137 10779 1 16 . 1 1 63 63 SER H H 63 7.389 7.389 7.759 -0.370 25137 10780 1 16 . 1 1 64 64 HIS N N 64 122.580 122.580 117.735 4.845 25137 10781 1 16 . 1 1 64 64 HIS HA H 64 5.833 5.833 4.863 0.970 25137 10782 1 16 . 1 1 64 64 HIS C C 64 176.210 176.210 175.329 0.881 25137 10783 1 16 . 1 1 64 64 HIS CA C 64 54.006 54.006 53.864 0.142 25137 10784 1 16 . 1 1 64 64 HIS CB C 64 34.092 34.092 32.779 1.313 25137 10785 1 16 . 1 1 64 64 HIS H H 64 7.762 7.762 7.757 0.005 25137 10786 1 16 . 1 1 65 65 CYS N N 65 111.478 111.478 120.627 -9.149 25137 10787 1 16 . 1 1 65 65 CYS HA H 65 4.342 4.342 4.474 -0.132 25137 10788 1 16 . 1 1 65 65 CYS C C 65 175.881 175.881 174.805 1.076 25137 10789 1 16 . 1 1 65 65 CYS CA C 65 57.980 57.980 58.105 -0.126 25137 10790 1 16 . 1 1 65 65 CYS CB C 65 29.790 29.790 26.515 3.275 25137 10791 1 16 . 1 1 65 65 CYS H H 65 7.946 7.946 8.124 -0.178 25137 10792 1 16 . 1 1 66 66 GLY N N 66 120.340 120.340 113.211 7.129 25137 10793 1 16 . 1 1 66 66 GLY CA C 66 48.880 48.880 46.128 2.752 25137 10794 1 16 . 1 1 66 66 GLY H H 66 11.290 11.290 8.356 2.934 25137 10795 1 16 . 1 1 67 67 PRO HA H 67 4.386 4.386 4.268 0.118 25137 10796 1 16 . 1 1 67 67 PRO C C 67 179.860 179.860 178.488 1.372 25137 10797 1 16 . 1 1 67 67 PRO CA C 67 65.388 65.388 65.350 0.038 25137 10798 1 16 . 1 1 67 67 PRO CB C 67 32.970 32.970 31.345 1.625 25137 10799 1 16 . 1 1 68 68 VAL N N 68 116.564 116.564 117.887 -1.323 25137 10800 1 16 . 1 1 68 68 VAL HA H 68 3.494 3.494 3.591 -0.097 25137 10801 1 16 . 1 1 68 68 VAL C C 68 176.350 176.350 177.609 -1.259 25137 10802 1 16 . 1 1 68 68 VAL CA C 68 64.839 64.839 66.616 -1.777 25137 10803 1 16 . 1 1 68 68 VAL CB C 68 31.396 31.396 31.111 0.285 25137 10804 1 16 . 1 1 68 68 VAL H H 68 7.471 7.471 8.067 -0.596 25137 10805 1 16 . 1 1 69 69 ALA N N 69 122.825 122.825 122.457 0.368 25137 10806 1 16 . 1 1 69 69 ALA HA H 69 3.085 3.085 3.298 -0.213 25137 10807 1 16 . 1 1 69 69 ALA C C 69 179.280 179.280 179.154 0.126 25137 10808 1 16 . 1 1 69 69 ALA CA C 69 55.209 55.209 55.191 0.018 25137 10809 1 16 . 1 1 69 69 ALA CB C 69 18.141 18.141 18.020 0.121 25137 10810 1 16 . 1 1 69 69 ALA H H 69 7.880 7.880 8.092 -0.212 25137 10811 1 16 . 1 1 70 70 ASP N N 70 116.269 116.269 118.784 -2.515 25137 10812 1 16 . 1 1 70 70 ASP HA H 70 4.314 4.314 4.300 0.014 25137 10813 1 16 . 1 1 70 70 ASP C C 70 178.300 178.300 178.046 0.254 25137 10814 1 16 . 1 1 70 70 ASP CA C 70 57.530 57.530 57.430 0.100 25137 10815 1 16 . 1 1 70 70 ASP CB C 70 40.582 40.582 40.864 -0.282 25137 10816 1 16 . 1 1 70 70 ASP H H 70 8.316 8.316 8.028 0.288 25137 10817 1 16 . 1 1 71 71 ALA N N 71 122.771 122.771 122.486 0.285 25137 10818 1 16 . 1 1 71 71 ALA HA H 71 4.045 4.045 4.014 0.031 25137 10819 1 16 . 1 1 71 71 ALA C C 71 180.700 180.700 179.853 0.847 25137 10820 1 16 . 1 1 71 71 ALA CA C 71 55.062 55.062 55.016 0.046 25137 10821 1 16 . 1 1 71 71 ALA CB C 71 18.675 18.675 18.303 0.372 25137 10822 1 16 . 1 1 71 71 ALA H H 71 7.156 7.156 7.852 -0.696 25137 10823 1 16 . 1 1 72 72 LEU N N 72 119.021 119.021 118.244 0.777 25137 10824 1 16 . 1 1 72 72 LEU HA H 72 3.824 3.824 3.852 -0.028 25137 10825 1 16 . 1 1 72 72 LEU C C 72 179.560 179.560 179.491 0.069 25137 10826 1 16 . 1 1 72 72 LEU CA C 72 58.351 58.351 57.620 0.731 25137 10827 1 16 . 1 1 72 72 LEU CB C 72 40.437 40.437 41.254 -0.817 25137 10828 1 16 . 1 1 72 72 LEU H H 72 8.250 8.250 8.274 -0.024 25137 10829 1 16 . 1 1 73 73 LYS N N 73 120.087 120.087 118.816 1.271 25137 10830 1 16 . 1 1 73 73 LYS HA H 73 4.431 4.431 4.150 0.281 25137 10831 1 16 . 1 1 73 73 LYS C C 73 181.310 181.310 179.456 1.854 25137 10832 1 16 . 1 1 73 73 LYS CA C 73 59.307 59.307 58.710 0.597 25137 10833 1 16 . 1 1 73 73 LYS CB C 73 32.404 32.404 31.816 0.588 25137 10834 1 16 . 1 1 73 73 LYS H H 73 8.383 8.383 8.138 0.245 25137 10835 1 16 . 1 1 74 74 GLN N N 74 118.982 118.982 117.925 1.057 25137 10836 1 16 . 1 1 74 74 GLN HA H 74 4.074 4.074 4.108 -0.034 25137 10837 1 16 . 1 1 74 74 GLN C C 74 177.620 177.620 177.740 -0.120 25137 10838 1 16 . 1 1 74 74 GLN CA C 74 58.834 58.834 58.298 0.536 25137 10839 1 16 . 1 1 74 74 GLN CB C 74 28.505 28.505 28.812 -0.307 25137 10840 1 16 . 1 1 74 74 GLN H H 74 8.015 8.015 8.046 -0.031 25137 10841 1 16 . 1 1 75 75 ARG N N 75 116.770 116.770 116.418 0.352 25137 10842 1 16 . 1 1 75 75 ARG HA H 75 4.272 4.272 4.367 -0.095 25137 10843 1 16 . 1 1 75 75 ARG C C 75 174.310 174.310 174.979 -0.669 25137 10844 1 16 . 1 1 75 75 ARG CA C 75 55.950 55.950 55.458 0.492 25137 10845 1 16 . 1 1 75 75 ARG CB C 75 31.780 31.780 30.264 1.516 25137 10846 1 16 . 1 1 75 75 ARG H H 75 7.240 7.240 7.811 -0.572 25137 10847 1 16 . 1 1 76 76 ALA N N 76 122.020 122.020 120.874 1.146 25137 10848 1 16 . 1 1 76 76 ALA HA H 76 4.050 4.050 4.104 -0.054 25137 10849 1 16 . 1 1 76 76 ALA C C 76 176.240 176.240 177.214 -0.974 25137 10850 1 16 . 1 1 76 76 ALA CA C 76 53.170 53.170 52.825 0.345 25137 10851 1 16 . 1 1 76 76 ALA CB C 76 16.650 16.650 17.158 -0.508 25137 10852 1 16 . 1 1 76 76 ALA H H 76 8.065 8.065 7.314 0.751 25137 10853 1 16 . 1 1 77 77 ILE N N 77 122.300 122.300 120.210 2.090 25137 10854 1 16 . 1 1 77 77 ILE HA H 77 4.502 4.502 4.311 0.191 25137 10855 1 16 . 1 1 77 77 ILE CA C 77 58.610 58.610 58.810 -0.200 25137 10856 1 16 . 1 1 77 77 ILE CB C 77 40.000 40.000 39.155 0.845 25137 10857 1 16 . 1 1 77 77 ILE H H 77 8.080 8.080 8.225 -0.145 25137 10858 1 16 . 1 1 78 78 PRO HA H 78 4.454 4.454 4.570 -0.116 25137 10859 1 16 . 1 1 78 78 PRO C C 78 174.680 174.680 175.417 -0.737 25137 10860 1 16 . 1 1 78 78 PRO CA C 78 62.622 62.622 62.749 -0.127 25137 10861 1 16 . 1 1 78 78 PRO CB C 78 32.772 32.772 32.148 0.624 25137 10862 1 16 . 1 1 79 79 PHE N N 79 109.800 109.800 116.367 -6.567 25137 10863 1 16 . 1 1 79 79 PHE HA H 79 5.656 5.656 5.442 0.214 25137 10864 1 16 . 1 1 79 79 PHE C C 79 172.780 172.780 173.475 -0.695 25137 10865 1 16 . 1 1 79 79 PHE CA C 79 55.612 55.612 55.727 -0.115 25137 10866 1 16 . 1 1 79 79 PHE CB C 79 42.181 42.181 42.310 -0.129 25137 10867 1 16 . 1 1 79 79 PHE H H 79 7.463 7.463 7.876 -0.413 25137 10868 1 16 . 1 1 80 80 ILE N N 80 114.746 114.746 120.175 -5.429 25137 10869 1 16 . 1 1 80 80 ILE HA H 80 4.545 4.545 4.600 -0.055 25137 10870 1 16 . 1 1 80 80 ILE C C 80 174.750 174.750 175.168 -0.418 25137 10871 1 16 . 1 1 80 80 ILE CA C 80 58.914 58.914 59.786 -0.872 25137 10872 1 16 . 1 1 80 80 ILE CB C 80 43.079 43.079 42.262 0.817 25137 10873 1 16 . 1 1 80 80 ILE H H 80 8.024 8.024 8.676 -0.652 25137 10874 1 16 . 1 1 81 81 LEU N N 81 124.450 124.450 126.899 -2.449 25137 10875 1 16 . 1 1 81 81 LEU HA H 81 5.470 5.470 5.095 0.375 25137 10876 1 16 . 1 1 81 81 LEU C C 81 175.620 175.620 176.251 -0.631 25137 10877 1 16 . 1 1 81 81 LEU CA C 81 53.345 53.345 53.344 0.001 25137 10878 1 16 . 1 1 81 81 LEU CB C 81 43.304 43.304 39.961 3.343 25137 10879 1 16 . 1 1 81 81 LEU H H 81 8.935 8.935 9.103 -0.168 25137 10880 1 16 . 1 1 82 82 HIS N N 82 126.167 126.167 126.709 -0.542 25137 10881 1 16 . 1 1 82 82 HIS HA H 82 5.880 5.880 5.481 0.399 25137 10882 1 16 . 1 1 82 82 HIS C C 82 172.730 172.730 174.452 -1.722 25137 10883 1 16 . 1 1 82 82 HIS CA C 82 52.947 52.947 54.276 -1.329 25137 10884 1 16 . 1 1 82 82 HIS CB C 82 31.171 31.171 30.067 1.104 25137 10885 1 16 . 1 1 82 82 HIS H H 82 8.828 8.828 8.620 0.208 25137 10886 1 16 . 1 1 83 83 THR N N 83 114.001 114.001 119.702 -5.701 25137 10887 1 16 . 1 1 83 83 THR HA H 83 5.305 5.305 4.923 0.382 25137 10888 1 16 . 1 1 83 83 THR C C 83 172.800 172.800 173.143 -0.343 25137 10889 1 16 . 1 1 83 83 THR CA C 83 58.807 58.807 60.161 -1.354 25137 10890 1 16 . 1 1 83 83 THR CB C 83 69.366 69.366 71.678 -2.312 25137 10891 1 16 . 1 1 83 83 THR H H 83 7.252 7.252 7.674 -0.422 25137 10892 1 16 . 1 1 84 84 GLY N N 84 115.666 115.666 109.381 6.285 25137 10893 1 16 . 1 1 84 84 GLY C C 84 173.764 173.764 173.961 -0.197 25137 10894 1 16 . 1 1 84 84 GLY CA C 84 45.284 45.284 44.764 0.520 25137 10895 1 16 . 1 1 84 84 GLY H H 84 8.483 8.483 8.897 -0.414 25137 10896 1 16 . 1 1 85 85 ASP N N 85 123.490 123.490 122.678 0.812 25137 10897 1 16 . 1 1 85 85 ASP HA H 85 4.982 4.982 4.930 0.052 25137 10898 1 16 . 1 1 85 85 ASP C C 85 175.829 175.829 175.009 0.820 25137 10899 1 16 . 1 1 85 85 ASP CA C 85 53.420 53.420 53.602 -0.182 25137 10900 1 16 . 1 1 85 85 ASP CB C 85 41.560 41.560 40.134 1.426 25137 10901 1 16 . 1 1 85 85 ASP H H 85 8.510 8.510 7.930 0.580 25137 10902 1 16 . 1 1 86 86 LEU N N 86 122.010 122.010 120.736 1.274 25137 10903 1 16 . 1 1 86 86 LEU HA H 86 3.997 3.997 4.184 -0.187 25137 10904 1 16 . 1 1 86 86 LEU C C 86 178.242 178.242 177.552 0.690 25137 10905 1 16 . 1 1 86 86 LEU CA C 86 57.410 57.410 57.136 0.274 25137 10906 1 16 . 1 1 86 86 LEU CB C 86 42.000 42.000 42.496 -0.496 25137 10907 1 16 . 1 1 86 86 LEU H H 86 8.210 8.210 7.897 0.313 25137 10908 1 16 . 1 1 87 87 ASP N N 87 117.260 117.260 118.336 -1.076 25137 10909 1 16 . 1 1 87 87 ASP HA H 87 4.535 4.535 4.467 0.068 25137 10910 1 16 . 1 1 87 87 ASP C C 87 178.351 178.351 179.008 -0.657 25137 10911 1 16 . 1 1 87 87 ASP CA C 87 56.010 56.010 57.228 -1.218 25137 10912 1 16 . 1 1 87 87 ASP CB C 87 41.400 41.400 40.680 0.720 25137 10913 1 16 . 1 1 87 87 ASP H H 87 8.290 8.290 8.292 -0.002 25137 10914 1 16 . 1 1 88 88 ARG N N 88 120.750 120.750 118.782 1.968 25137 10915 1 16 . 1 1 88 88 ARG HA H 88 4.015 4.015 4.111 -0.096 25137 10916 1 16 . 1 1 88 88 ARG C C 88 177.300 177.300 176.592 0.708 25137 10917 1 16 . 1 1 88 88 ARG CA C 88 58.340 58.340 57.183 1.157 25137 10918 1 16 . 1 1 88 88 ARG CB C 88 30.460 30.460 29.779 0.681 25137 10919 1 16 . 1 1 88 88 ARG H H 88 8.040 8.040 8.313 -0.273 25137 10920 1 16 . 1 1 89 89 HIS N N 89 115.580 115.580 115.840 -0.260 25137 10921 1 16 . 1 1 89 89 HIS HA H 89 5.026 5.026 4.786 0.240 25137 10922 1 16 . 1 1 89 89 HIS C C 89 175.670 175.670 175.504 0.166 25137 10923 1 16 . 1 1 89 89 HIS CA C 89 55.300 55.300 54.739 0.561 25137 10924 1 16 . 1 1 89 89 HIS CB C 89 29.890 29.890 30.689 -0.799 25137 10925 1 16 . 1 1 89 89 HIS H H 89 7.900 7.900 7.601 0.299 25137 10926 1 16 . 1 1 90 90 GLY N N 90 108.320 108.320 108.523 -0.203 25137 10927 1 16 . 1 1 90 90 GLY C C 90 175.880 175.880 175.366 0.514 25137 10928 1 16 . 1 1 90 90 GLY CA C 90 48.310 48.310 47.431 0.879 25137 10929 1 16 . 1 1 90 90 GLY H H 90 7.790 7.790 7.910 -0.120 25137 10930 1 16 . 1 1 91 91 GLU N N 91 120.490 120.490 120.432 0.058 25137 10931 1 16 . 1 1 91 91 GLU HA H 91 4.043 4.043 4.026 0.017 25137 10932 1 16 . 1 1 91 91 GLU C C 91 178.410 178.410 178.569 -0.159 25137 10933 1 16 . 1 1 91 91 GLU CA C 91 59.200 59.200 58.950 0.250 25137 10934 1 16 . 1 1 91 91 GLU CB C 91 29.240 29.240 29.063 0.177 25137 10935 1 16 . 1 1 91 91 GLU H H 91 8.580 8.580 8.370 0.210 25137 10936 1 16 . 1 1 92 92 LEU N N 92 121.740 121.740 120.887 0.853 25137 10937 1 16 . 1 1 92 92 LEU HA H 92 4.048 4.048 4.041 0.007 25137 10938 1 16 . 1 1 92 92 LEU C C 92 178.630 178.630 178.469 0.161 25137 10939 1 16 . 1 1 92 92 LEU CA C 92 57.690 57.690 57.480 0.210 25137 10940 1 16 . 1 1 92 92 LEU CB C 92 41.820 41.820 41.798 0.022 25137 10941 1 16 . 1 1 92 92 LEU H H 92 7.690 7.690 7.827 -0.137 25137 10942 1 16 . 1 1 93 93 LEU N N 93 117.310 117.310 118.579 -1.269 25137 10943 1 16 . 1 1 93 93 LEU HA H 93 3.881 3.881 3.814 0.067 25137 10944 1 16 . 1 1 93 93 LEU C C 93 174.967 174.967 178.933 -3.966 25137 10945 1 16 . 1 1 93 93 LEU CA C 93 57.940 57.940 58.321 -0.381 25137 10946 1 16 . 1 1 93 93 LEU CB C 93 40.640 40.640 41.196 -0.556 25137 10947 1 16 . 1 1 93 93 LEU H H 93 8.160 8.160 8.783 -0.623 25137 10948 1 16 . 1 1 94 94 ARG N N 94 117.940 117.940 118.337 -0.397 25137 10949 1 16 . 1 1 94 94 ARG HA H 94 4.120 4.120 4.160 -0.040 25137 10950 1 16 . 1 1 94 94 ARG C C 94 177.870 177.870 177.911 -0.041 25137 10951 1 16 . 1 1 94 94 ARG CA C 94 58.450 58.450 58.657 -0.207 25137 10952 1 16 . 1 1 94 94 ARG CB C 94 30.370 30.370 29.914 0.456 25137 10953 1 16 . 1 1 94 94 ARG H H 94 7.770 7.770 8.072 -0.302 25137 10954 1 16 . 1 1 95 95 LYS N N 95 118.380 118.380 118.495 -0.115 25137 10955 1 16 . 1 1 95 95 LYS HA H 95 4.160 4.160 4.171 -0.011 25137 10956 1 16 . 1 1 95 95 LYS C C 95 177.730 177.730 178.364 -0.634 25137 10957 1 16 . 1 1 95 95 LYS CA C 95 57.600 57.600 58.534 -0.934 25137 10958 1 16 . 1 1 95 95 LYS CB C 95 32.770 32.770 32.895 -0.126 25137 10959 1 16 . 1 1 95 95 LYS H H 95 7.640 7.640 7.484 0.156 25137 10960 1 16 . 1 1 96 96 ILE N N 96 120.160 120.160 118.153 2.007 25137 10961 1 16 . 1 1 96 96 ILE HA H 96 3.781 3.781 3.854 -0.074 25137 10962 1 16 . 1 1 96 96 ILE C C 96 175.840 175.840 175.208 0.632 25137 10963 1 16 . 1 1 96 96 ILE CA C 96 63.720 63.720 63.997 -0.277 25137 10964 1 16 . 1 1 96 96 ILE CB C 96 38.670 38.670 38.645 0.025 25137 10965 1 16 . 1 1 96 96 ILE H H 96 7.980 7.980 8.115 -0.135 25137 10966 1 16 . 1 1 97 97 ASP N N 97 120.510 120.510 118.906 1.604 25137 10967 1 16 . 1 1 97 97 ASP HA H 97 4.380 4.380 4.173 0.207 25137 10968 1 16 . 1 1 97 97 ASP C C 97 173.580 173.580 173.938 -0.358 25137 10969 1 16 . 1 1 97 97 ASP CA C 97 54.300 54.300 55.264 -0.964 25137 10970 1 16 . 1 1 97 97 ASP CB C 97 39.490 39.490 39.964 -0.474 25137 10971 1 16 . 1 1 97 97 ASP H H 97 8.160 8.160 8.032 0.128 25137 10972 1 16 . 1 1 98 98 ALA N N 98 123.800 123.800 123.275 0.525 25137 10973 1 16 . 1 1 98 98 ALA HA H 98 4.550 4.550 4.476 0.074 25137 10974 1 16 . 1 1 98 98 ALA CA C 98 49.860 49.860 50.712 -0.852 25137 10975 1 16 . 1 1 98 98 ALA CB C 98 21.070 21.070 20.305 0.765 25137 10976 1 16 . 1 1 98 98 ALA H H 98 7.680 7.680 7.898 -0.218 25137 10977 1 16 . 1 1 99 99 PRO HA H 99 4.370 4.370 4.483 -0.113 25137 10978 1 16 . 1 1 99 99 PRO C C 99 174.760 174.760 175.390 -0.630 25137 10979 1 16 . 1 1 99 99 PRO CA C 99 62.950 62.950 63.115 -0.165 25137 10980 1 16 . 1 1 99 99 PRO CB C 99 32.310 32.310 32.355 -0.045 25137 10981 1 16 . 1 1 100 100 VAL N N 100 120.490 120.490 121.493 -1.003 25137 10982 1 16 . 1 1 100 100 VAL HA H 100 4.832 4.832 4.677 0.155 25137 10983 1 16 . 1 1 100 100 VAL C C 100 176.650 176.650 175.447 1.203 25137 10984 1 16 . 1 1 100 100 VAL CA C 100 60.450 60.450 61.343 -0.893 25137 10985 1 16 . 1 1 100 100 VAL CB C 100 34.830 34.830 34.428 0.403 25137 10986 1 16 . 1 1 100 100 VAL H H 100 8.270 8.270 8.210 0.060 25137 10987 1 16 . 1 1 101 101 MET N N 101 127.420 127.420 126.503 0.917 25137 10988 1 16 . 1 1 101 101 MET HA H 101 4.705 4.705 4.780 -0.075 25137 10989 1 16 . 1 1 101 101 MET C C 101 174.490 174.490 174.985 -0.495 25137 10990 1 16 . 1 1 101 101 MET CA C 101 54.730 54.730 53.276 1.454 25137 10991 1 16 . 1 1 101 101 MET CB C 101 34.560 34.560 33.194 1.366 25137 10992 1 16 . 1 1 101 101 MET H H 101 9.240 9.240 9.136 0.104 25137 10993 1 16 . 1 1 102 102 ALA N N 102 128.590 128.590 128.566 0.024 25137 10994 1 16 . 1 1 102 102 ALA HA H 102 4.608 4.608 5.052 -0.444 25137 10995 1 16 . 1 1 102 102 ALA C C 102 177.935 177.935 177.558 0.377 25137 10996 1 16 . 1 1 102 102 ALA CA C 102 51.930 51.930 51.608 0.322 25137 10997 1 16 . 1 1 102 102 ALA CB C 102 19.040 19.040 20.000 -0.959 25137 10998 1 16 . 1 1 102 102 ALA H H 102 8.760 8.760 8.578 0.182 25137 10999 1 16 . 1 1 103 103 LYS N N 103 120.200 120.200 123.267 -3.067 25137 11000 1 16 . 1 1 103 103 LYS HA H 103 4.284 4.284 4.927 -0.643 25137 11001 1 16 . 1 1 103 103 LYS CA C 103 54.370 54.370 54.505 -0.135 25137 11002 1 16 . 1 1 103 103 LYS CB C 103 34.190 34.190 32.230 1.960 25137 11003 1 16 . 1 1 103 103 LYS H H 103 7.300 7.300 7.933 -0.633 25137 11004 1 16 . 1 1 104 104 PRO HA H 104 4.611 4.611 4.562 0.049 25137 11005 1 16 . 1 1 104 104 PRO C C 104 174.980 174.980 175.802 -0.822 25137 11006 1 16 . 1 1 104 104 PRO CA C 104 62.626 62.626 62.483 0.143 25137 11007 1 16 . 1 1 104 104 PRO CB C 104 33.867 33.867 32.397 1.470 25137 11008 1 16 . 1 1 105 105 ALA N N 105 125.082 125.082 124.134 0.948 25137 11009 1 16 . 1 1 105 105 ALA HA H 105 4.576 4.576 4.502 0.074 25137 11010 1 16 . 1 1 105 105 ALA C C 105 176.890 176.890 175.695 1.195 25137 11011 1 16 . 1 1 105 105 ALA CA C 105 51.177 51.177 51.479 -0.302 25137 11012 1 16 . 1 1 105 105 ALA CB C 105 21.735 21.735 20.902 0.833 25137 11013 1 16 . 1 1 105 105 ALA H H 105 8.668 8.668 8.046 0.622 25137 11014 1 16 . 1 1 106 106 ASP N N 106 122.306 122.306 123.811 -1.505 25137 11015 1 16 . 1 1 106 106 ASP HA H 106 4.636 4.636 4.590 0.046 25137 11016 1 16 . 1 1 106 106 ASP C C 106 178.383 178.383 177.320 1.063 25137 11017 1 16 . 1 1 106 106 ASP CA C 106 54.312 54.312 54.259 0.053 25137 11018 1 16 . 1 1 106 106 ASP CB C 106 41.260 41.260 42.129 -0.869 25137 11019 1 16 . 1 1 106 106 ASP H H 106 8.867 8.867 8.335 0.532 25137 11020 1 16 . 1 1 107 107 THR N N 107 119.540 119.540 118.504 1.036 25137 11021 1 16 . 1 1 107 107 THR HA H 107 3.573 3.573 4.043 -0.470 25137 11022 1 16 . 1 1 107 107 THR C C 107 176.393 176.393 176.024 0.369 25137 11023 1 16 . 1 1 107 107 THR CA C 107 65.940 65.940 64.961 0.979 25137 11024 1 16 . 1 1 107 107 THR CB C 107 68.191 68.191 68.620 -0.429 25137 11025 1 16 . 1 1 107 107 THR H H 107 8.658 8.658 8.508 0.150 25137 11026 1 16 . 1 1 108 108 SER N N 108 117.095 117.095 118.202 -1.107 25137 11027 1 16 . 1 1 108 108 SER HA H 108 4.140 4.140 4.065 0.075 25137 11028 1 16 . 1 1 108 108 SER C C 108 176.143 176.143 175.927 0.216 25137 11029 1 16 . 1 1 108 108 SER CA C 108 61.650 61.650 62.761 -1.111 25137 11030 1 16 . 1 1 108 108 SER CB C 108 62.450 62.450 62.669 -0.219 25137 11031 1 16 . 1 1 108 108 SER H H 108 8.480 8.480 8.491 -0.011 25137 11032 1 16 . 1 1 109 109 ASP N N 109 122.520 122.520 122.995 -0.475 25137 11033 1 16 . 1 1 109 109 ASP HA H 109 4.400 4.400 4.344 0.056 25137 11034 1 16 . 1 1 109 109 ASP C C 109 178.499 178.499 178.353 0.146 25137 11035 1 16 . 1 1 109 109 ASP CA C 109 56.990 56.990 57.745 -0.755 25137 11036 1 16 . 1 1 109 109 ASP CB C 109 40.560 40.560 40.871 -0.311 25137 11037 1 16 . 1 1 109 109 ASP H H 109 7.350 7.350 7.579 -0.229 25137 11038 1 16 . 1 1 110 110 VAL N N 110 120.210 120.210 119.772 0.438 25137 11039 1 16 . 1 1 110 110 VAL HA H 110 3.262 3.262 3.531 -0.269 25137 11040 1 16 . 1 1 110 110 VAL C C 110 176.535 176.535 177.798 -1.263 25137 11041 1 16 . 1 1 110 110 VAL CA C 110 66.090 66.090 65.936 0.154 25137 11042 1 16 . 1 1 110 110 VAL CB C 110 31.400 31.400 31.367 0.033 25137 11043 1 16 . 1 1 110 110 VAL H H 110 7.440 7.440 7.828 -0.388 25137 11044 1 16 . 1 1 111 111 ALA N N 111 118.790 118.790 121.859 -3.069 25137 11045 1 16 . 1 1 111 111 ALA HA H 111 3.264 3.264 2.710 0.554 25137 11046 1 16 . 1 1 111 111 ALA C C 111 179.030 179.030 179.100 -0.070 25137 11047 1 16 . 1 1 111 111 ALA CA C 111 54.590 54.590 54.773 -0.182 25137 11048 1 16 . 1 1 111 111 ALA CB C 111 16.480 16.480 17.469 -0.989 25137 11049 1 16 . 1 1 111 111 ALA H H 111 7.610 7.610 7.857 -0.247 25137 11050 1 16 . 1 1 112 112 LYS N N 112 115.540 115.540 118.344 -2.804 25137 11051 1 16 . 1 1 112 112 LYS HA H 112 3.750 3.750 3.911 -0.161 25137 11052 1 16 . 1 1 112 112 LYS C C 112 179.470 179.470 179.229 0.241 25137 11053 1 16 . 1 1 112 112 LYS CA C 112 60.020 60.020 59.741 0.279 25137 11054 1 16 . 1 1 112 112 LYS CB C 112 32.680 32.680 32.247 0.433 25137 11055 1 16 . 1 1 112 112 LYS H H 112 7.840 7.840 7.983 -0.143 25137 11056 1 16 . 1 1 113 113 ARG N N 113 118.590 118.590 117.651 0.939 25137 11057 1 16 . 1 1 113 113 ARG HA H 113 4.021 4.021 4.297 -0.276 25137 11058 1 16 . 1 1 113 113 ARG C C 113 179.120 179.120 178.550 0.570 25137 11059 1 16 . 1 1 113 113 ARG CA C 113 58.180 58.180 58.270 -0.090 25137 11060 1 16 . 1 1 113 113 ARG CB C 113 29.530 29.530 29.742 -0.212 25137 11061 1 16 . 1 1 113 113 ARG H H 113 7.860 7.860 8.136 -0.276 25137 11062 1 16 . 1 1 114 114 ALA N N 114 120.520 120.520 122.059 -1.539 25137 11063 1 16 . 1 1 114 114 ALA HA H 114 4.046 4.046 4.277 -0.231 25137 11064 1 16 . 1 1 114 114 ALA C C 114 179.280 179.280 179.897 -0.617 25137 11065 1 16 . 1 1 114 114 ALA CA C 114 55.070 55.070 54.765 0.305 25137 11066 1 16 . 1 1 114 114 ALA CB C 114 17.920 17.920 19.174 -1.254 25137 11067 1 16 . 1 1 114 114 ALA H H 114 8.190 8.190 7.510 0.680 25137 11068 1 16 . 1 1 115 115 LEU N N 115 115.820 115.820 119.052 -3.232 25137 11069 1 16 . 1 1 115 115 LEU HA H 115 4.225 4.225 4.098 0.127 25137 11070 1 16 . 1 1 115 115 LEU C C 115 180.490 180.490 179.537 0.953 25137 11071 1 16 . 1 1 115 115 LEU CA C 115 57.600 57.600 57.396 0.204 25137 11072 1 16 . 1 1 115 115 LEU CB C 115 40.590 40.590 41.892 -1.302 25137 11073 1 16 . 1 1 115 115 LEU H H 115 8.320 8.320 8.617 -0.297 25137 11074 1 16 . 1 1 116 116 GLU N N 116 119.789 119.789 119.524 0.265 25137 11075 1 16 . 1 1 116 116 GLU HA H 116 4.109 4.109 4.103 0.006 25137 11076 1 16 . 1 1 116 116 GLU C C 116 178.790 178.790 178.656 0.134 25137 11077 1 16 . 1 1 116 116 GLU CA C 116 58.625 58.625 58.897 -0.272 25137 11078 1 16 . 1 1 116 116 GLU CB C 116 29.548 29.548 29.006 0.542 25137 11079 1 16 . 1 1 116 116 GLU H H 116 7.904 7.904 8.355 -0.451 25137 11080 1 16 . 1 1 117 117 MET N N 117 116.426 116.426 117.003 -0.577 25137 11081 1 16 . 1 1 117 117 MET HA H 117 4.245 4.245 4.361 -0.116 25137 11082 1 16 . 1 1 117 117 MET C C 117 176.890 176.890 176.813 0.077 25137 11083 1 16 . 1 1 117 117 MET CA C 117 57.638 57.638 57.164 0.474 25137 11084 1 16 . 1 1 117 117 MET CB C 117 33.467 33.467 32.911 0.556 25137 11085 1 16 . 1 1 117 117 MET H H 117 7.712 7.712 7.708 0.004 25137 11086 1 16 . 1 1 118 118 CYS N N 118 113.993 113.993 117.853 -3.860 25137 11087 1 16 . 1 1 118 118 CYS HA H 118 4.699 4.699 4.478 0.221 25137 11088 1 16 . 1 1 118 118 CYS C C 118 174.750 174.750 175.652 -0.902 25137 11089 1 16 . 1 1 118 118 CYS CA C 118 58.541 58.541 58.541 0.000 25137 11090 1 16 . 1 1 118 118 CYS CB C 118 28.552 28.552 27.366 1.186 25137 11091 1 16 . 1 1 118 118 CYS H H 118 7.428 7.428 7.496 -0.068 25137 11092 1 16 . 1 1 119 119 GLY N N 119 109.823 109.823 107.380 2.443 25137 11093 1 16 . 1 1 119 119 GLY C C 119 174.660 174.660 174.381 0.279 25137 11094 1 16 . 1 1 119 119 GLY CA C 119 45.709 45.709 44.439 1.270 25137 11095 1 16 . 1 1 119 119 GLY H H 119 8.056 8.056 7.202 0.854 25137 11096 1 16 . 1 1 120 120 GLY N N 120 108.821 108.821 106.601 2.220 25137 11097 1 16 . 1 1 120 120 GLY C C 120 173.790 173.790 175.109 -1.319 25137 11098 1 16 . 1 1 120 120 GLY CA C 120 45.326 45.326 45.151 0.175 25137 11099 1 16 . 1 1 120 120 GLY H H 120 8.301 8.301 8.335 -0.034 25137 11100 1 16 . 1 1 121 121 ASP N N 121 120.383 120.383 119.116 1.267 25137 11101 1 16 . 1 1 121 121 ASP HA H 121 4.591 4.591 4.655 -0.064 25137 11102 1 16 . 1 1 121 121 ASP C C 121 176.160 176.160 176.009 0.151 25137 11103 1 16 . 1 1 121 121 ASP CA C 121 54.313 54.313 53.039 1.274 25137 11104 1 16 . 1 1 121 121 ASP CB C 121 41.079 41.079 40.706 0.373 25137 11105 1 16 . 1 1 121 121 ASP H H 121 8.438 8.438 8.161 0.277 25137 11106 1 16 . 1 1 122 122 LYS N N 122 121.450 121.450 122.151 -0.701 25137 11107 1 16 . 1 1 122 122 LYS HA H 122 4.350 4.350 4.345 0.005 25137 11108 1 16 . 1 1 122 122 LYS C C 122 177.184 177.184 176.688 0.496 25137 11109 1 16 . 1 1 122 122 LYS CA C 122 55.890 55.890 56.161 -0.271 25137 11110 1 16 . 1 1 122 122 LYS CB C 122 33.190 33.190 32.256 0.934 25137 11111 1 16 . 1 1 122 122 LYS H H 122 8.258 8.258 7.756 0.502 25137 11112 1 16 . 1 1 123 123 GLU N N 123 123.560 123.560 127.486 -3.926 25137 11113 1 16 . 1 1 123 123 GLU HA H 123 4.550 4.550 4.583 -0.033 25137 11114 1 16 . 1 1 123 123 GLU CA C 123 54.470 54.470 53.863 0.607 25137 11115 1 16 . 1 1 123 123 GLU CB C 123 29.640 29.640 29.907 -0.267 25137 11116 1 16 . 1 1 123 123 GLU H H 123 8.420 8.420 8.463 -0.043 25137 11117 1 16 . 1 1 124 124 PRO HA H 124 4.384 4.384 4.270 0.114 25137 11118 1 16 . 1 1 124 124 PRO C C 124 175.770 175.770 175.436 0.334 25137 11119 1 16 . 1 1 124 124 PRO CA C 124 63.350 63.350 63.503 -0.153 25137 11120 1 16 . 1 1 124 124 PRO CB C 124 32.300 32.300 31.280 1.020 25137 11121 1 17 . 1 1 2 2 ALA N N 2 123.423 123.423 124.944 -1.521 25137 11122 1 17 . 1 1 2 2 ALA HA H 2 4.357 4.357 4.229 0.128 25137 11123 1 17 . 1 1 2 2 ALA C C 2 177.811 177.811 178.809 -0.998 25137 11124 1 17 . 1 1 2 2 ALA CA C 2 52.652 52.652 53.806 -1.154 25137 11125 1 17 . 1 1 2 2 ALA CB C 2 19.488 19.488 19.027 0.461 25137 11126 1 17 . 1 1 2 2 ALA H H 2 7.983 7.983 8.508 -0.525 25137 11127 1 17 . 1 1 3 3 MET N N 3 119.390 119.390 116.932 2.458 25137 11128 1 17 . 1 1 3 3 MET HA H 3 4.482 4.482 4.600 -0.118 25137 11129 1 17 . 1 1 3 3 MET C C 3 176.569 176.569 176.182 0.387 25137 11130 1 17 . 1 1 3 3 MET CA C 3 55.570 55.570 56.528 -0.958 25137 11131 1 17 . 1 1 3 3 MET CB C 3 32.900 32.900 33.598 -0.698 25137 11132 1 17 . 1 1 3 3 MET H H 3 8.570 8.570 8.569 0.001 25137 11133 1 17 . 1 1 4 4 GLY N N 4 110.130 110.130 107.404 2.726 25137 11134 1 17 . 1 1 4 4 GLY C C 4 173.630 173.630 173.407 0.223 25137 11135 1 17 . 1 1 4 4 GLY CA C 4 45.270 45.270 44.549 0.721 25137 11136 1 17 . 1 1 4 4 GLY H H 4 8.370 8.370 7.427 0.943 25137 11137 1 17 . 1 1 5 5 MET N N 5 121.570 121.570 121.626 -0.056 25137 11138 1 17 . 1 1 5 5 MET HA H 5 4.780 4.780 4.753 0.027 25137 11139 1 17 . 1 1 5 5 MET CA C 5 53.630 53.630 52.601 1.029 25137 11140 1 17 . 1 1 5 5 MET CB C 5 33.140 33.140 32.069 1.071 25137 11141 1 17 . 1 1 5 5 MET H H 5 8.210 8.210 8.392 -0.182 25137 11142 1 17 . 1 1 6 6 PRO HA H 6 4.505 4.505 4.536 -0.031 25137 11143 1 17 . 1 1 6 6 PRO C C 6 174.520 174.520 175.865 -1.345 25137 11144 1 17 . 1 1 6 6 PRO CA C 6 62.980 62.980 62.420 0.559 25137 11145 1 17 . 1 1 6 6 PRO CB C 6 32.400 32.400 32.332 0.068 25137 11146 1 17 . 1 1 7 7 LYS N N 7 123.443 123.443 125.847 -2.404 25137 11147 1 17 . 1 1 7 7 LYS HA H 7 5.000 5.000 4.519 0.481 25137 11148 1 17 . 1 1 7 7 LYS C C 7 175.920 175.920 175.761 0.159 25137 11149 1 17 . 1 1 7 7 LYS CA C 7 54.911 54.911 55.427 -0.516 25137 11150 1 17 . 1 1 7 7 LYS CB C 7 33.635 33.635 32.493 1.142 25137 11151 1 17 . 1 1 7 7 LYS H H 7 9.675 9.675 9.394 0.281 25137 11152 1 17 . 1 1 8 8 VAL N N 8 125.859 125.859 127.557 -1.698 25137 11153 1 17 . 1 1 8 8 VAL HA H 8 4.723 4.723 5.070 -0.347 25137 11154 1 17 . 1 1 8 8 VAL C C 8 174.630 174.630 174.205 0.425 25137 11155 1 17 . 1 1 8 8 VAL CA C 8 59.726 59.726 60.297 -0.571 25137 11156 1 17 . 1 1 8 8 VAL CB C 8 34.991 34.991 32.955 2.036 25137 11157 1 17 . 1 1 8 8 VAL H H 8 8.851 8.851 9.066 -0.215 25137 11158 1 17 . 1 1 9 9 LEU N N 9 127.114 127.114 130.229 -3.115 25137 11159 1 17 . 1 1 9 9 LEU HA H 9 5.190 5.190 4.862 0.328 25137 11160 1 17 . 1 1 9 9 LEU C C 9 174.090 174.090 174.706 -0.616 25137 11161 1 17 . 1 1 9 9 LEU CA C 9 53.090 53.090 53.094 -0.004 25137 11162 1 17 . 1 1 9 9 LEU CB C 9 45.007 45.007 43.748 1.259 25137 11163 1 17 . 1 1 9 9 LEU H H 9 7.881 7.881 8.557 -0.676 25137 11164 1 17 . 1 1 10 10 VAL N N 10 128.024 128.024 128.714 -0.690 25137 11165 1 17 . 1 1 10 10 VAL HA H 10 4.647 4.647 4.547 0.100 25137 11166 1 17 . 1 1 10 10 VAL C C 10 172.900 172.900 174.199 -1.299 25137 11167 1 17 . 1 1 10 10 VAL CA C 10 61.206 61.206 62.178 -0.973 25137 11168 1 17 . 1 1 10 10 VAL CB C 10 34.541 34.541 32.851 1.690 25137 11169 1 17 . 1 1 10 10 VAL H H 10 8.952 8.952 9.276 -0.324 25137 11170 1 17 . 1 1 11 11 LEU N N 11 128.979 128.979 130.118 -1.139 25137 11171 1 17 . 1 1 11 11 LEU HA H 11 5.504 5.504 5.367 0.137 25137 11172 1 17 . 1 1 11 11 LEU C C 11 174.450 174.450 175.323 -0.873 25137 11173 1 17 . 1 1 11 11 LEU CA C 11 52.328 52.328 53.089 -0.761 25137 11174 1 17 . 1 1 11 11 LEU CB C 11 45.000 45.000 41.424 3.576 25137 11175 1 17 . 1 1 11 11 LEU H H 11 8.433 8.433 9.288 -0.855 25137 11176 1 17 . 1 1 12 12 GLU N N 12 128.158 128.158 124.995 3.163 25137 11177 1 17 . 1 1 12 12 GLU HA H 12 4.294 4.294 4.562 -0.268 25137 11178 1 17 . 1 1 12 12 GLU C C 12 173.120 173.120 174.530 -1.410 25137 11179 1 17 . 1 1 12 12 GLU CA C 12 56.964 56.964 56.107 0.857 25137 11180 1 17 . 1 1 12 12 GLU CB C 12 32.201 32.201 33.214 -1.013 25137 11181 1 17 . 1 1 12 12 GLU H H 12 8.532 8.532 8.536 -0.004 25137 11182 1 17 . 1 1 13 13 ASP N N 13 123.077 123.077 126.036 -2.959 25137 11183 1 17 . 1 1 13 13 ASP HA H 13 4.659 4.659 4.625 0.034 25137 11184 1 17 . 1 1 13 13 ASP C C 13 176.090 176.090 176.818 -0.728 25137 11185 1 17 . 1 1 13 13 ASP CA C 13 55.140 55.140 54.386 0.753 25137 11186 1 17 . 1 1 13 13 ASP CB C 13 40.524 40.524 41.796 -1.272 25137 11187 1 17 . 1 1 13 13 ASP H H 13 8.803 8.803 8.702 0.101 25137 11188 1 17 . 1 1 14 14 GLU N N 14 126.685 126.685 120.709 5.976 25137 11189 1 17 . 1 1 14 14 GLU HA H 14 4.809 4.809 4.642 0.167 25137 11190 1 17 . 1 1 14 14 GLU CA C 14 54.574 54.574 54.099 0.475 25137 11191 1 17 . 1 1 14 14 GLU CB C 14 29.310 29.310 29.589 -0.279 25137 11192 1 17 . 1 1 14 14 GLU H H 14 10.077 10.077 8.244 1.833 25137 11193 1 17 . 1 1 15 15 PRO HA H 15 4.273 4.273 4.185 0.088 25137 11194 1 17 . 1 1 15 15 PRO C C 15 179.110 179.110 177.564 1.546 25137 11195 1 17 . 1 1 15 15 PRO CA C 15 65.472 65.472 65.647 -0.175 25137 11196 1 17 . 1 1 15 15 PRO CB C 15 32.462 32.462 31.688 0.774 25137 11197 1 17 . 1 1 16 16 LEU N N 16 118.358 118.358 119.183 -0.825 25137 11198 1 17 . 1 1 16 16 LEU HA H 16 4.131 4.131 4.165 -0.034 25137 11199 1 17 . 1 1 16 16 LEU C C 16 179.260 179.260 178.337 0.923 25137 11200 1 17 . 1 1 16 16 LEU CA C 16 58.306 58.306 57.943 0.363 25137 11201 1 17 . 1 1 16 16 LEU CB C 16 41.731 41.731 41.211 0.520 25137 11202 1 17 . 1 1 16 16 LEU H H 16 8.851 8.851 7.879 0.972 25137 11203 1 17 . 1 1 17 17 ILE N N 17 117.680 117.680 119.738 -2.058 25137 11204 1 17 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.689 0.143 25137 11205 1 17 . 1 1 17 17 ILE C C 17 178.230 178.230 177.949 0.281 25137 11206 1 17 . 1 1 17 17 ILE CA C 17 63.344 63.344 64.802 -1.458 25137 11207 1 17 . 1 1 17 17 ILE CB C 17 36.564 36.564 37.083 -0.519 25137 11208 1 17 . 1 1 17 17 ILE H H 17 6.886 6.886 7.491 -0.605 25137 11209 1 17 . 1 1 18 18 ALA N N 18 122.321 122.321 122.884 -0.563 25137 11210 1 17 . 1 1 18 18 ALA HA H 18 3.720 3.720 3.957 -0.237 25137 11211 1 17 . 1 1 18 18 ALA C C 18 178.900 178.900 179.363 -0.463 25137 11212 1 17 . 1 1 18 18 ALA CA C 18 55.890 55.890 55.618 0.272 25137 11213 1 17 . 1 1 18 18 ALA CB C 18 18.165 18.165 18.190 -0.025 25137 11214 1 17 . 1 1 18 18 ALA H H 18 7.988 7.988 8.529 -0.541 25137 11215 1 17 . 1 1 19 19 MET N N 19 115.807 115.807 117.942 -2.135 25137 11216 1 17 . 1 1 19 19 MET HA H 19 3.999 3.999 3.985 0.014 25137 11217 1 17 . 1 1 19 19 MET C C 19 177.180 177.180 178.088 -0.908 25137 11218 1 17 . 1 1 19 19 MET CA C 19 58.144 58.144 58.916 -0.772 25137 11219 1 17 . 1 1 19 19 MET CB C 19 32.852 32.852 32.675 0.177 25137 11220 1 17 . 1 1 19 19 MET H H 19 8.204 8.204 8.339 -0.135 25137 11221 1 17 . 1 1 20 20 ASN N N 20 117.843 117.843 119.272 -1.429 25137 11222 1 17 . 1 1 20 20 ASN HA H 20 4.545 4.545 4.747 -0.202 25137 11223 1 17 . 1 1 20 20 ASN C C 20 179.590 179.590 178.280 1.310 25137 11224 1 17 . 1 1 20 20 ASN CA C 20 56.222 56.222 56.348 -0.126 25137 11225 1 17 . 1 1 20 20 ASN CB C 20 38.005 38.005 38.649 -0.644 25137 11226 1 17 . 1 1 20 20 ASN H H 20 7.839 7.839 8.227 -0.388 25137 11227 1 17 . 1 1 21 21 LEU N N 21 121.749 121.749 121.228 0.521 25137 11228 1 17 . 1 1 21 21 LEU HA H 21 4.055 4.055 4.055 0.000 25137 11229 1 17 . 1 1 21 21 LEU C C 21 177.750 177.750 178.653 -0.903 25137 11230 1 17 . 1 1 21 21 LEU CA C 21 58.268 58.268 58.377 -0.109 25137 11231 1 17 . 1 1 21 21 LEU CB C 21 42.605 42.605 41.915 0.690 25137 11232 1 17 . 1 1 21 21 LEU H H 21 8.601 8.601 8.780 -0.179 25137 11233 1 17 . 1 1 22 22 GLN N N 22 120.991 120.991 119.607 1.384 25137 11234 1 17 . 1 1 22 22 GLN HA H 22 3.935 3.935 3.953 -0.018 25137 11235 1 17 . 1 1 22 22 GLN C C 22 178.070 178.070 178.521 -0.451 25137 11236 1 17 . 1 1 22 22 GLN CA C 22 60.463 60.463 59.486 0.977 25137 11237 1 17 . 1 1 22 22 GLN CB C 22 26.902 26.902 28.528 -1.626 25137 11238 1 17 . 1 1 22 22 GLN H H 22 8.749 8.749 8.190 0.559 25137 11239 1 17 . 1 1 23 23 TYR N N 23 117.446 117.446 118.826 -1.380 25137 11240 1 17 . 1 1 23 23 TYR HA H 23 4.517 4.517 4.366 0.151 25137 11241 1 17 . 1 1 23 23 TYR C C 23 178.210 178.210 178.408 -0.198 25137 11242 1 17 . 1 1 23 23 TYR CA C 23 59.425 59.425 60.952 -1.527 25137 11243 1 17 . 1 1 23 23 TYR CB C 23 36.975 36.975 37.859 -0.884 25137 11244 1 17 . 1 1 23 23 TYR H H 23 8.450 8.450 8.533 -0.083 25137 11245 1 17 . 1 1 24 24 ALA N N 24 121.627 121.627 122.420 -0.793 25137 11246 1 17 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.028 0.072 25137 11247 1 17 . 1 1 24 24 ALA C C 24 180.910 180.910 179.380 1.530 25137 11248 1 17 . 1 1 24 24 ALA CA C 24 55.060 55.060 54.880 0.180 25137 11249 1 17 . 1 1 24 24 ALA CB C 24 18.070 18.070 18.110 -0.040 25137 11250 1 17 . 1 1 24 24 ALA H H 24 7.765 7.765 7.911 -0.146 25137 11251 1 17 . 1 1 25 25 PHE N N 25 115.589 115.589 118.073 -2.484 25137 11252 1 17 . 1 1 25 25 PHE HA H 25 3.940 3.940 4.093 -0.153 25137 11253 1 17 . 1 1 25 25 PHE C C 25 179.090 179.090 178.493 0.597 25137 11254 1 17 . 1 1 25 25 PHE CA C 25 63.453 63.453 62.665 0.788 25137 11255 1 17 . 1 1 25 25 PHE CB C 25 39.484 39.484 38.800 0.684 25137 11256 1 17 . 1 1 25 25 PHE H H 25 8.348 8.348 8.745 -0.397 25137 11257 1 17 . 1 1 26 26 GLU N N 26 121.198 121.198 119.636 1.562 25137 11258 1 17 . 1 1 26 26 GLU HA H 26 4.429 4.429 4.363 0.066 25137 11259 1 17 . 1 1 26 26 GLU C C 26 181.680 181.680 179.589 2.091 25137 11260 1 17 . 1 1 26 26 GLU CA C 26 59.737 59.737 58.930 0.807 25137 11261 1 17 . 1 1 26 26 GLU CB C 26 28.925 28.925 29.446 -0.521 25137 11262 1 17 . 1 1 26 26 GLU H H 26 8.822 8.822 8.386 0.436 25137 11263 1 17 . 1 1 27 27 ASP N N 27 121.846 121.846 119.808 2.038 25137 11264 1 17 . 1 1 27 27 ASP HA H 27 4.468 4.468 4.502 -0.034 25137 11265 1 17 . 1 1 27 27 ASP C C 27 177.880 177.880 177.788 0.092 25137 11266 1 17 . 1 1 27 27 ASP CA C 27 56.996 56.996 56.594 0.402 25137 11267 1 17 . 1 1 27 27 ASP CB C 27 40.640 40.640 40.978 -0.338 25137 11268 1 17 . 1 1 27 27 ASP H H 27 8.424 8.424 8.066 0.358 25137 11269 1 17 . 1 1 28 28 GLU N N 28 115.759 115.759 116.631 -0.872 25137 11270 1 17 . 1 1 28 28 GLU HA H 28 4.331 4.331 4.432 -0.101 25137 11271 1 17 . 1 1 28 28 GLU C C 28 176.460 176.460 177.039 -0.579 25137 11272 1 17 . 1 1 28 28 GLU CA C 28 55.395 55.395 55.765 -0.370 25137 11273 1 17 . 1 1 28 28 GLU CB C 28 30.264 30.264 29.795 0.469 25137 11274 1 17 . 1 1 28 28 GLU H H 28 7.170 7.170 7.680 -0.510 25137 11275 1 17 . 1 1 29 29 GLY N N 29 106.899 106.899 107.588 -0.689 25137 11276 1 17 . 1 1 29 29 GLY C C 29 173.160 173.160 173.071 0.089 25137 11277 1 17 . 1 1 29 29 GLY CA C 29 45.589 45.589 45.434 0.156 25137 11278 1 17 . 1 1 29 29 GLY H H 29 7.889 7.889 8.032 -0.143 25137 11279 1 17 . 1 1 30 30 ALA N N 30 121.007 121.007 121.076 -0.069 25137 11280 1 17 . 1 1 30 30 ALA HA H 30 4.680 4.680 5.197 -0.517 25137 11281 1 17 . 1 1 30 30 ALA C C 30 175.880 175.880 175.373 0.507 25137 11282 1 17 . 1 1 30 30 ALA CA C 30 50.666 50.666 50.529 0.137 25137 11283 1 17 . 1 1 30 30 ALA CB C 30 21.882 21.882 22.203 -0.321 25137 11284 1 17 . 1 1 30 30 ALA H H 30 7.743 7.743 7.619 0.124 25137 11285 1 17 . 1 1 31 31 GLU N N 31 120.065 120.065 118.797 1.268 25137 11286 1 17 . 1 1 31 31 GLU HA H 31 4.664 4.664 4.786 -0.122 25137 11287 1 17 . 1 1 31 31 GLU C C 31 175.430 175.430 174.458 0.972 25137 11288 1 17 . 1 1 31 31 GLU CA C 31 55.136 55.136 54.391 0.745 25137 11289 1 17 . 1 1 31 31 GLU CB C 31 32.126 32.126 32.848 -0.722 25137 11290 1 17 . 1 1 31 31 GLU H H 31 8.595 8.595 8.776 -0.181 25137 11291 1 17 . 1 1 32 32 VAL N N 32 123.414 123.414 124.221 -0.807 25137 11292 1 17 . 1 1 32 32 VAL HA H 32 4.787 4.787 4.827 -0.040 25137 11293 1 17 . 1 1 32 32 VAL C C 32 175.290 175.290 175.335 -0.045 25137 11294 1 17 . 1 1 32 32 VAL CA C 32 60.802 60.802 60.773 0.029 25137 11295 1 17 . 1 1 32 32 VAL CB C 32 34.991 34.991 34.552 0.439 25137 11296 1 17 . 1 1 32 32 VAL H H 32 8.872 8.872 8.228 0.644 25137 11297 1 17 . 1 1 33 33 VAL N N 33 128.158 128.158 127.599 0.559 25137 11298 1 17 . 1 1 33 33 VAL HA H 33 4.226 4.226 4.399 -0.173 25137 11299 1 17 . 1 1 33 33 VAL C C 33 173.830 173.830 174.443 -0.613 25137 11300 1 17 . 1 1 33 33 VAL CA C 33 60.990 60.990 60.683 0.307 25137 11301 1 17 . 1 1 33 33 VAL CB C 33 33.736 33.736 34.335 -0.599 25137 11302 1 17 . 1 1 33 33 VAL H H 33 9.042 9.042 9.077 -0.035 25137 11303 1 17 . 1 1 34 34 VAL N N 34 126.239 126.239 126.417 -0.178 25137 11304 1 17 . 1 1 34 34 VAL HA H 34 4.751 4.751 4.526 0.225 25137 11305 1 17 . 1 1 34 34 VAL C C 34 175.100 175.100 175.100 0.000 25137 11306 1 17 . 1 1 34 34 VAL CA C 34 61.389 61.389 61.435 -0.046 25137 11307 1 17 . 1 1 34 34 VAL CB C 34 33.193 33.193 32.922 0.271 25137 11308 1 17 . 1 1 34 34 VAL H H 34 8.522 8.522 8.483 0.039 25137 11309 1 17 . 1 1 35 35 ALA N N 35 129.955 129.955 129.835 0.120 25137 11310 1 17 . 1 1 35 35 ALA HA H 35 4.682 4.682 4.769 -0.087 25137 11311 1 17 . 1 1 35 35 ALA C C 35 174.380 174.380 175.668 -1.288 25137 11312 1 17 . 1 1 35 35 ALA CA C 35 50.154 50.154 50.822 -0.668 25137 11313 1 17 . 1 1 35 35 ALA CB C 35 22.922 22.922 22.490 0.432 25137 11314 1 17 . 1 1 35 35 ALA H H 35 9.388 9.388 9.097 0.291 25137 11315 1 17 . 1 1 36 36 ALA N N 36 121.011 121.011 122.938 -1.927 25137 11316 1 17 . 1 1 36 36 ALA HA H 36 4.632 4.632 4.625 0.007 25137 11317 1 17 . 1 1 36 36 ALA C C 36 176.490 176.490 176.479 0.011 25137 11318 1 17 . 1 1 36 36 ALA CA C 36 51.778 51.778 52.966 -1.188 25137 11319 1 17 . 1 1 36 36 ALA CB C 36 21.506 21.506 19.402 2.103 25137 11320 1 17 . 1 1 36 36 ALA H H 36 8.539 8.539 8.552 -0.013 25137 11321 1 17 . 1 1 37 37 THR N N 37 102.880 102.880 106.590 -3.710 25137 11322 1 17 . 1 1 37 37 THR HA H 37 4.620 4.620 4.502 0.118 25137 11323 1 17 . 1 1 37 37 THR C C 37 174.710 174.710 175.244 -0.534 25137 11324 1 17 . 1 1 37 37 THR CA C 37 57.520 57.520 59.859 -2.339 25137 11325 1 17 . 1 1 37 37 THR CB C 37 72.972 72.972 72.133 0.839 25137 11326 1 17 . 1 1 37 37 THR H H 37 7.019 7.019 7.270 -0.251 25137 11327 1 17 . 1 1 38 38 CYS N N 38 120.553 120.553 120.623 -0.070 25137 11328 1 17 . 1 1 38 38 CYS HA H 38 3.677 3.677 4.132 -0.455 25137 11329 1 17 . 1 1 38 38 CYS C C 38 176.020 176.020 176.914 -0.894 25137 11330 1 17 . 1 1 38 38 CYS CA C 38 63.179 63.179 63.280 -0.101 25137 11331 1 17 . 1 1 38 38 CYS CB C 38 26.317 26.317 28.039 -1.722 25137 11332 1 17 . 1 1 38 38 CYS H H 38 9.398 9.398 8.818 0.580 25137 11333 1 17 . 1 1 39 39 GLU N N 39 118.521 118.521 120.849 -2.328 25137 11334 1 17 . 1 1 39 39 GLU HA H 39 3.829 3.829 3.958 -0.129 25137 11335 1 17 . 1 1 39 39 GLU C C 39 179.470 179.470 179.023 0.447 25137 11336 1 17 . 1 1 39 39 GLU CA C 39 60.594 60.594 59.717 0.877 25137 11337 1 17 . 1 1 39 39 GLU CB C 39 28.963 28.963 29.298 -0.335 25137 11338 1 17 . 1 1 39 39 GLU H H 39 8.960 8.960 8.597 0.363 25137 11339 1 17 . 1 1 40 40 GLN N N 40 118.602 118.602 118.595 0.007 25137 11340 1 17 . 1 1 40 40 GLN HA H 40 4.021 4.021 4.019 0.002 25137 11341 1 17 . 1 1 40 40 GLN C C 40 176.211 176.211 178.331 -2.120 25137 11342 1 17 . 1 1 40 40 GLN CA C 40 58.306 58.306 58.616 -0.310 25137 11343 1 17 . 1 1 40 40 GLN CB C 40 28.925 28.925 28.527 0.398 25137 11344 1 17 . 1 1 40 40 GLN H H 40 7.855 7.855 8.083 -0.228 25137 11345 1 17 . 1 1 41 41 ALA N N 41 122.395 122.395 123.588 -1.193 25137 11346 1 17 . 1 1 41 41 ALA HA H 41 3.735 3.735 3.959 -0.224 25137 11347 1 17 . 1 1 41 41 ALA C C 41 178.440 178.440 179.402 -0.962 25137 11348 1 17 . 1 1 41 41 ALA CA C 41 55.178 55.178 55.272 -0.094 25137 11349 1 17 . 1 1 41 41 ALA CB C 41 19.872 19.872 18.327 1.545 25137 11350 1 17 . 1 1 41 41 ALA H H 41 8.009 8.009 7.544 0.465 25137 11351 1 17 . 1 1 42 42 LEU N N 42 116.832 116.832 118.483 -1.651 25137 11352 1 17 . 1 1 42 42 LEU HA H 42 3.875 3.875 3.823 0.052 25137 11353 1 17 . 1 1 42 42 LEU C C 42 180.080 180.080 179.148 0.932 25137 11354 1 17 . 1 1 42 42 LEU CA C 42 58.011 58.011 57.690 0.321 25137 11355 1 17 . 1 1 42 42 LEU CB C 42 40.961 40.961 41.212 -0.251 25137 11356 1 17 . 1 1 42 42 LEU H H 42 8.497 8.497 8.446 0.051 25137 11357 1 17 . 1 1 43 43 LYS N N 43 121.087 121.087 119.962 1.125 25137 11358 1 17 . 1 1 43 43 LYS HA H 43 4.065 4.065 3.873 0.192 25137 11359 1 17 . 1 1 43 43 LYS C C 43 178.500 178.500 178.726 -0.226 25137 11360 1 17 . 1 1 43 43 LYS CA C 43 59.256 59.256 59.762 -0.506 25137 11361 1 17 . 1 1 43 43 LYS CB C 43 32.295 32.295 32.169 0.126 25137 11362 1 17 . 1 1 43 43 LYS H H 43 7.593 7.593 7.954 -0.361 25137 11363 1 17 . 1 1 44 44 SER N N 44 115.150 115.150 115.471 -0.321 25137 11364 1 17 . 1 1 44 44 SER HA H 44 4.130 4.130 4.201 -0.071 25137 11365 1 17 . 1 1 44 44 SER C C 44 176.430 176.430 176.806 -0.376 25137 11366 1 17 . 1 1 44 44 SER CA C 44 62.900 62.900 61.288 1.612 25137 11367 1 17 . 1 1 44 44 SER CB C 44 62.900 62.900 63.102 -0.202 25137 11368 1 17 . 1 1 44 44 SER H H 44 8.100 8.100 8.005 0.095 25137 11369 1 17 . 1 1 45 45 LEU N N 45 120.050 120.050 123.005 -2.955 25137 11370 1 17 . 1 1 45 45 LEU HA H 45 4.121 4.121 4.042 0.079 25137 11371 1 17 . 1 1 45 45 LEU C C 45 177.260 177.260 177.524 -0.264 25137 11372 1 17 . 1 1 45 45 LEU CA C 45 56.770 56.770 57.724 -0.954 25137 11373 1 17 . 1 1 45 45 LEU CB C 45 42.389 42.389 41.712 0.676 25137 11374 1 17 . 1 1 45 45 LEU H H 45 8.050 8.050 8.466 -0.416 25137 11375 1 17 . 1 1 46 46 ALA N N 46 119.940 119.940 120.113 -0.173 25137 11376 1 17 . 1 1 46 46 ALA HA H 46 4.093 4.093 4.074 0.019 25137 11377 1 17 . 1 1 46 46 ALA C C 46 179.310 179.310 179.765 -0.455 25137 11378 1 17 . 1 1 46 46 ALA CA C 46 54.126 54.126 54.633 -0.507 25137 11379 1 17 . 1 1 46 46 ALA CB C 46 18.412 18.412 18.288 0.124 25137 11380 1 17 . 1 1 46 46 ALA H H 46 7.360 7.360 7.810 -0.450 25137 11381 1 17 . 1 1 47 47 ASP N N 47 115.277 115.277 118.795 -3.518 25137 11382 1 17 . 1 1 47 47 ASP HA H 47 4.610 4.610 4.630 -0.020 25137 11383 1 17 . 1 1 47 47 ASP C C 47 175.930 175.930 176.846 -0.916 25137 11384 1 17 . 1 1 47 47 ASP CA C 47 55.087 55.087 55.681 -0.594 25137 11385 1 17 . 1 1 47 47 ASP CB C 47 42.364 42.364 41.993 0.371 25137 11386 1 17 . 1 1 47 47 ASP H H 47 7.583 7.583 8.284 -0.701 25137 11387 1 17 . 1 1 48 48 ASN N N 48 116.977 116.977 117.004 -0.027 25137 11388 1 17 . 1 1 48 48 ASN HA H 48 5.219 5.219 5.132 0.087 25137 11389 1 17 . 1 1 48 48 ASN CA C 48 51.096 51.096 51.075 0.021 25137 11390 1 17 . 1 1 48 48 ASN CB C 48 42.381 42.381 39.903 2.478 25137 11391 1 17 . 1 1 48 48 ASN H H 48 7.727 7.727 8.385 -0.658 25137 11392 1 17 . 1 1 49 49 PRO HA H 49 4.551 4.551 4.611 -0.060 25137 11393 1 17 . 1 1 49 49 PRO C C 49 174.890 174.890 175.444 -0.554 25137 11394 1 17 . 1 1 49 49 PRO CA C 49 62.093 62.093 62.212 -0.119 25137 11395 1 17 . 1 1 49 49 PRO CB C 49 29.940 29.940 31.122 -1.182 25137 11396 1 17 . 1 1 50 50 ILE N N 50 122.280 122.280 123.449 -1.169 25137 11397 1 17 . 1 1 50 50 ILE HA H 50 3.908 3.908 3.972 -0.064 25137 11398 1 17 . 1 1 50 50 ILE C C 50 174.840 174.840 176.418 -1.578 25137 11399 1 17 . 1 1 50 50 ILE CA C 50 58.580 58.580 60.812 -2.232 25137 11400 1 17 . 1 1 50 50 ILE CB C 50 38.850 38.850 37.328 1.522 25137 11401 1 17 . 1 1 50 50 ILE H H 50 7.420 7.420 7.838 -0.418 25137 11402 1 17 . 1 1 51 51 ASP N N 51 123.770 123.770 127.298 -3.528 25137 11403 1 17 . 1 1 51 51 ASP HA H 51 4.749 4.749 4.821 -0.072 25137 11404 1 17 . 1 1 51 51 ASP C C 51 175.114 175.114 175.807 -0.693 25137 11405 1 17 . 1 1 51 51 ASP CA C 51 56.930 56.930 56.050 0.880 25137 11406 1 17 . 1 1 51 51 ASP CB C 51 44.360 44.360 43.001 1.359 25137 11407 1 17 . 1 1 51 51 ASP H H 51 9.310 9.310 8.836 0.474 25137 11408 1 17 . 1 1 52 52 VAL N N 52 114.454 114.454 116.801 -2.347 25137 11409 1 17 . 1 1 52 52 VAL HA H 52 4.874 4.874 4.822 0.052 25137 11410 1 17 . 1 1 52 52 VAL C C 52 171.129 171.129 173.165 -2.036 25137 11411 1 17 . 1 1 52 52 VAL CA C 52 59.850 59.850 60.030 -0.180 25137 11412 1 17 . 1 1 52 52 VAL CB C 52 32.980 32.980 35.053 -2.073 25137 11413 1 17 . 1 1 52 52 VAL H H 52 7.580 7.580 7.630 -0.050 25137 11414 1 17 . 1 1 53 53 ALA N N 53 124.620 124.620 126.798 -2.178 25137 11415 1 17 . 1 1 53 53 ALA HA H 53 5.665 5.665 4.911 0.754 25137 11416 1 17 . 1 1 53 53 ALA C C 53 175.100 175.100 174.597 0.503 25137 11417 1 17 . 1 1 53 53 ALA CA C 53 49.810 49.810 50.485 -0.675 25137 11418 1 17 . 1 1 53 53 ALA CB C 53 25.750 25.750 22.733 3.018 25137 11419 1 17 . 1 1 53 53 ALA H H 53 7.780 7.780 8.949 -1.169 25137 11420 1 17 . 1 1 54 54 VAL N N 54 118.950 118.950 119.314 -0.364 25137 11421 1 17 . 1 1 54 54 VAL HA H 54 4.647 4.647 4.911 -0.264 25137 11422 1 17 . 1 1 54 54 VAL C C 54 174.020 174.020 173.652 0.368 25137 11423 1 17 . 1 1 54 54 VAL CA C 54 61.580 61.580 61.598 -0.018 25137 11424 1 17 . 1 1 54 54 VAL CB C 54 34.320 34.320 36.417 -2.097 25137 11425 1 17 . 1 1 54 54 VAL H H 54 8.730 8.730 8.838 -0.108 25137 11426 1 17 . 1 1 55 55 LEU N N 55 124.820 124.820 129.777 -4.957 25137 11427 1 17 . 1 1 55 55 LEU HA H 55 4.953 4.953 4.761 0.192 25137 11428 1 17 . 1 1 55 55 LEU C C 55 176.110 176.110 174.879 1.231 25137 11429 1 17 . 1 1 55 55 LEU CA C 55 53.540 53.540 53.916 -0.376 25137 11430 1 17 . 1 1 55 55 LEU CB C 55 42.690 42.690 45.064 -2.374 25137 11431 1 17 . 1 1 55 55 LEU H H 55 9.240 9.240 9.432 -0.192 25137 11432 1 17 . 1 1 56 56 ASP N N 56 124.220 124.220 124.811 -0.591 25137 11433 1 17 . 1 1 56 56 ASP HA H 56 5.629 5.629 4.859 0.770 25137 11434 1 17 . 1 1 56 56 ASP C C 56 174.460 174.460 176.293 -1.833 25137 11435 1 17 . 1 1 56 56 ASP CA C 56 52.930 52.930 52.975 -0.045 25137 11436 1 17 . 1 1 56 56 ASP CB C 56 43.400 43.400 42.069 1.331 25137 11437 1 17 . 1 1 56 56 ASP H H 56 8.360 8.360 8.778 -0.418 25137 11438 1 17 . 1 1 57 57 VAL N N 57 119.581 119.581 125.873 -6.292 25137 11439 1 17 . 1 1 57 57 VAL HA H 57 4.239 4.239 3.712 0.527 25137 11440 1 17 . 1 1 57 57 VAL C C 57 175.480 175.480 176.199 -0.719 25137 11441 1 17 . 1 1 57 57 VAL CA C 57 64.564 64.564 64.314 0.250 25137 11442 1 17 . 1 1 57 57 VAL CB C 57 32.520 32.520 32.117 0.403 25137 11443 1 17 . 1 1 57 57 VAL H H 57 7.022 7.022 8.558 -1.536 25137 11444 1 17 . 1 1 58 58 ASN N N 58 114.490 114.490 117.072 -2.582 25137 11445 1 17 . 1 1 58 58 ASN HA H 58 4.693 4.693 4.737 -0.044 25137 11446 1 17 . 1 1 58 58 ASN C C 58 173.400 173.400 175.412 -2.012 25137 11447 1 17 . 1 1 58 58 ASN CA C 58 53.570 53.570 51.589 1.981 25137 11448 1 17 . 1 1 58 58 ASN CB C 58 38.820 38.820 37.715 1.105 25137 11449 1 17 . 1 1 58 58 ASN H H 58 8.600 8.600 8.444 0.156 25137 11450 1 17 . 1 1 59 59 LEU N N 59 130.670 130.670 119.742 10.928 25137 11451 1 17 . 1 1 59 59 LEU HA H 59 4.647 4.647 4.092 0.555 25137 11452 1 17 . 1 1 59 59 LEU C C 59 175.340 175.340 177.407 -2.067 25137 11453 1 17 . 1 1 59 59 LEU CA C 59 53.550 53.550 56.197 -2.647 25137 11454 1 17 . 1 1 59 59 LEU CB C 59 41.430 41.430 42.365 -0.935 25137 11455 1 17 . 1 1 59 59 LEU H H 59 8.260 8.260 7.561 0.699 25137 11456 1 17 . 1 1 60 60 GLY N N 60 109.030 109.030 103.830 5.200 25137 11457 1 17 . 1 1 60 60 GLY CA C 60 44.610 44.610 45.245 -0.635 25137 11458 1 17 . 1 1 60 60 GLY H H 60 7.860 7.860 7.628 0.232 25137 11459 1 17 . 1 1 61 61 PRO HA H 61 4.385 4.385 4.293 0.092 25137 11460 1 17 . 1 1 61 61 PRO C C 61 177.960 177.960 177.413 0.547 25137 11461 1 17 . 1 1 61 61 PRO CA C 61 64.888 64.888 64.976 -0.088 25137 11462 1 17 . 1 1 61 61 PRO CB C 61 32.070 32.070 32.345 -0.275 25137 11463 1 17 . 1 1 62 62 LYS N N 62 115.984 115.984 114.422 1.562 25137 11464 1 17 . 1 1 62 62 LYS HA H 62 4.524 4.524 4.448 0.076 25137 11465 1 17 . 1 1 62 62 LYS C C 62 175.810 175.810 176.225 -0.415 25137 11466 1 17 . 1 1 62 62 LYS CA C 62 55.444 55.444 56.548 -1.104 25137 11467 1 17 . 1 1 62 62 LYS CB C 62 33.216 33.216 33.492 -0.276 25137 11468 1 17 . 1 1 62 62 LYS H H 62 8.625 8.625 8.036 0.589 25137 11469 1 17 . 1 1 63 63 SER N N 63 113.432 113.432 116.777 -3.345 25137 11470 1 17 . 1 1 63 63 SER HA H 63 4.609 4.609 4.266 0.343 25137 11471 1 17 . 1 1 63 63 SER C C 63 172.560 172.560 172.771 -0.211 25137 11472 1 17 . 1 1 63 63 SER CA C 63 57.715 57.715 59.342 -1.627 25137 11473 1 17 . 1 1 63 63 SER CB C 63 64.866 64.866 63.399 1.467 25137 11474 1 17 . 1 1 63 63 SER H H 63 7.389 7.389 7.967 -0.578 25137 11475 1 17 . 1 1 64 64 HIS N N 64 122.580 122.580 118.556 4.024 25137 11476 1 17 . 1 1 64 64 HIS HA H 64 5.833 5.833 5.043 0.790 25137 11477 1 17 . 1 1 64 64 HIS C C 64 176.210 176.210 175.137 1.073 25137 11478 1 17 . 1 1 64 64 HIS CA C 64 54.006 54.006 53.729 0.277 25137 11479 1 17 . 1 1 64 64 HIS CB C 64 34.092 34.092 32.616 1.476 25137 11480 1 17 . 1 1 64 64 HIS H H 64 7.762 7.762 7.721 0.041 25137 11481 1 17 . 1 1 65 65 CYS N N 65 111.478 111.478 122.158 -10.680 25137 11482 1 17 . 1 1 65 65 CYS HA H 65 4.342 4.342 4.538 -0.196 25137 11483 1 17 . 1 1 65 65 CYS C C 65 175.881 175.881 174.761 1.120 25137 11484 1 17 . 1 1 65 65 CYS CA C 65 57.980 57.980 58.119 -0.139 25137 11485 1 17 . 1 1 65 65 CYS CB C 65 29.790 29.790 26.416 3.374 25137 11486 1 17 . 1 1 65 65 CYS H H 65 7.946 7.946 8.124 -0.178 25137 11487 1 17 . 1 1 66 66 GLY N N 66 120.340 120.340 113.302 7.038 25137 11488 1 17 . 1 1 66 66 GLY CA C 66 48.880 48.880 45.988 2.892 25137 11489 1 17 . 1 1 66 66 GLY H H 66 11.290 11.290 8.211 3.079 25137 11490 1 17 . 1 1 67 67 PRO HA H 67 4.386 4.386 4.212 0.174 25137 11491 1 17 . 1 1 67 67 PRO C C 67 179.860 179.860 178.183 1.677 25137 11492 1 17 . 1 1 67 67 PRO CA C 67 65.388 65.388 65.938 -0.550 25137 11493 1 17 . 1 1 67 67 PRO CB C 67 32.970 32.970 31.521 1.449 25137 11494 1 17 . 1 1 68 68 VAL N N 68 116.564 116.564 117.467 -0.903 25137 11495 1 17 . 1 1 68 68 VAL HA H 68 3.494 3.494 3.567 -0.073 25137 11496 1 17 . 1 1 68 68 VAL C C 68 176.350 176.350 177.468 -1.118 25137 11497 1 17 . 1 1 68 68 VAL CA C 68 64.839 64.839 66.343 -1.504 25137 11498 1 17 . 1 1 68 68 VAL CB C 68 31.396 31.396 31.067 0.330 25137 11499 1 17 . 1 1 68 68 VAL H H 68 7.471 7.471 7.884 -0.413 25137 11500 1 17 . 1 1 69 69 ALA N N 69 122.825 122.825 122.722 0.103 25137 11501 1 17 . 1 1 69 69 ALA HA H 69 3.085 3.085 3.206 -0.121 25137 11502 1 17 . 1 1 69 69 ALA C C 69 179.280 179.280 179.045 0.235 25137 11503 1 17 . 1 1 69 69 ALA CA C 69 55.209 55.209 55.173 0.036 25137 11504 1 17 . 1 1 69 69 ALA CB C 69 18.141 18.141 17.946 0.195 25137 11505 1 17 . 1 1 69 69 ALA H H 69 7.880 7.880 7.481 0.399 25137 11506 1 17 . 1 1 70 70 ASP N N 70 116.269 116.269 118.670 -2.401 25137 11507 1 17 . 1 1 70 70 ASP HA H 70 4.314 4.314 4.298 0.016 25137 11508 1 17 . 1 1 70 70 ASP C C 70 178.300 178.300 178.105 0.195 25137 11509 1 17 . 1 1 70 70 ASP CA C 70 57.530 57.530 57.406 0.124 25137 11510 1 17 . 1 1 70 70 ASP CB C 70 40.582 40.582 40.802 -0.220 25137 11511 1 17 . 1 1 70 70 ASP H H 70 8.316 8.316 8.031 0.285 25137 11512 1 17 . 1 1 71 71 ALA N N 71 122.771 122.771 122.406 0.365 25137 11513 1 17 . 1 1 71 71 ALA HA H 71 4.045 4.045 4.065 -0.020 25137 11514 1 17 . 1 1 71 71 ALA C C 71 180.700 180.700 179.849 0.851 25137 11515 1 17 . 1 1 71 71 ALA CA C 71 55.062 55.062 55.006 0.056 25137 11516 1 17 . 1 1 71 71 ALA CB C 71 18.675 18.675 18.360 0.315 25137 11517 1 17 . 1 1 71 71 ALA H H 71 7.156 7.156 7.747 -0.591 25137 11518 1 17 . 1 1 72 72 LEU N N 72 119.021 119.021 118.355 0.666 25137 11519 1 17 . 1 1 72 72 LEU HA H 72 3.824 3.824 3.861 -0.037 25137 11520 1 17 . 1 1 72 72 LEU C C 72 179.560 179.560 179.481 0.079 25137 11521 1 17 . 1 1 72 72 LEU CA C 72 58.351 58.351 57.645 0.706 25137 11522 1 17 . 1 1 72 72 LEU CB C 72 40.437 40.437 41.308 -0.871 25137 11523 1 17 . 1 1 72 72 LEU H H 72 8.250 8.250 8.388 -0.138 25137 11524 1 17 . 1 1 73 73 LYS N N 73 120.087 120.087 118.790 1.297 25137 11525 1 17 . 1 1 73 73 LYS HA H 73 4.431 4.431 4.141 0.290 25137 11526 1 17 . 1 1 73 73 LYS C C 73 181.310 181.310 179.637 1.673 25137 11527 1 17 . 1 1 73 73 LYS CA C 73 59.307 59.307 59.090 0.217 25137 11528 1 17 . 1 1 73 73 LYS CB C 73 32.404 32.404 31.951 0.453 25137 11529 1 17 . 1 1 73 73 LYS H H 73 8.383 8.383 8.269 0.114 25137 11530 1 17 . 1 1 74 74 GLN N N 74 118.982 118.982 117.811 1.171 25137 11531 1 17 . 1 1 74 74 GLN HA H 74 4.074 4.074 4.091 -0.017 25137 11532 1 17 . 1 1 74 74 GLN C C 74 177.620 177.620 177.488 0.132 25137 11533 1 17 . 1 1 74 74 GLN CA C 74 58.834 58.834 58.380 0.454 25137 11534 1 17 . 1 1 74 74 GLN CB C 74 28.505 28.505 29.008 -0.503 25137 11535 1 17 . 1 1 74 74 GLN H H 74 8.015 8.015 7.984 0.031 25137 11536 1 17 . 1 1 75 75 ARG N N 75 116.770 116.770 116.107 0.663 25137 11537 1 17 . 1 1 75 75 ARG HA H 75 4.272 4.272 4.344 -0.072 25137 11538 1 17 . 1 1 75 75 ARG C C 75 174.310 174.310 175.694 -1.384 25137 11539 1 17 . 1 1 75 75 ARG CA C 75 55.950 55.950 55.738 0.212 25137 11540 1 17 . 1 1 75 75 ARG CB C 75 31.780 31.780 30.648 1.132 25137 11541 1 17 . 1 1 75 75 ARG H H 75 7.240 7.240 7.573 -0.333 25137 11542 1 17 . 1 1 76 76 ALA N N 76 122.020 122.020 119.899 2.121 25137 11543 1 17 . 1 1 76 76 ALA HA H 76 4.050 4.050 4.066 -0.016 25137 11544 1 17 . 1 1 76 76 ALA C C 76 176.240 176.240 176.808 -0.568 25137 11545 1 17 . 1 1 76 76 ALA CA C 76 53.170 53.170 52.840 0.330 25137 11546 1 17 . 1 1 76 76 ALA CB C 76 16.650 16.650 16.826 -0.176 25137 11547 1 17 . 1 1 76 76 ALA H H 76 8.065 8.065 7.445 0.620 25137 11548 1 17 . 1 1 77 77 ILE N N 77 122.300 122.300 119.756 2.544 25137 11549 1 17 . 1 1 77 77 ILE HA H 77 4.502 4.502 4.266 0.236 25137 11550 1 17 . 1 1 77 77 ILE CA C 77 58.610 58.610 59.069 -0.459 25137 11551 1 17 . 1 1 77 77 ILE CB C 77 40.000 40.000 38.565 1.435 25137 11552 1 17 . 1 1 77 77 ILE H H 77 8.080 8.080 8.071 0.009 25137 11553 1 17 . 1 1 78 78 PRO HA H 78 4.454 4.454 4.500 -0.046 25137 11554 1 17 . 1 1 78 78 PRO C C 78 174.680 174.680 175.457 -0.777 25137 11555 1 17 . 1 1 78 78 PRO CA C 78 62.622 62.622 62.765 -0.143 25137 11556 1 17 . 1 1 78 78 PRO CB C 78 32.772 32.772 32.196 0.577 25137 11557 1 17 . 1 1 79 79 PHE N N 79 109.800 109.800 116.203 -6.403 25137 11558 1 17 . 1 1 79 79 PHE HA H 79 5.656 5.656 5.635 0.021 25137 11559 1 17 . 1 1 79 79 PHE C C 79 172.780 172.780 173.688 -0.908 25137 11560 1 17 . 1 1 79 79 PHE CA C 79 55.612 55.612 55.811 -0.199 25137 11561 1 17 . 1 1 79 79 PHE CB C 79 42.181 42.181 42.379 -0.198 25137 11562 1 17 . 1 1 79 79 PHE H H 79 7.463 7.463 7.878 -0.415 25137 11563 1 17 . 1 1 80 80 ILE N N 80 114.746 114.746 120.561 -5.815 25137 11564 1 17 . 1 1 80 80 ILE HA H 80 4.545 4.545 4.648 -0.103 25137 11565 1 17 . 1 1 80 80 ILE C C 80 174.750 174.750 175.370 -0.620 25137 11566 1 17 . 1 1 80 80 ILE CA C 80 58.914 58.914 59.730 -0.816 25137 11567 1 17 . 1 1 80 80 ILE CB C 80 43.079 43.079 41.801 1.278 25137 11568 1 17 . 1 1 80 80 ILE H H 80 8.024 8.024 8.273 -0.249 25137 11569 1 17 . 1 1 81 81 LEU N N 81 124.450 124.450 127.088 -2.638 25137 11570 1 17 . 1 1 81 81 LEU HA H 81 5.470 5.470 5.173 0.297 25137 11571 1 17 . 1 1 81 81 LEU C C 81 175.620 175.620 176.364 -0.744 25137 11572 1 17 . 1 1 81 81 LEU CA C 81 53.345 53.345 53.382 -0.037 25137 11573 1 17 . 1 1 81 81 LEU CB C 81 43.304 43.304 39.974 3.330 25137 11574 1 17 . 1 1 81 81 LEU H H 81 8.935 8.935 9.173 -0.238 25137 11575 1 17 . 1 1 82 82 HIS N N 82 126.167 126.167 126.519 -0.352 25137 11576 1 17 . 1 1 82 82 HIS HA H 82 5.880 5.880 5.302 0.578 25137 11577 1 17 . 1 1 82 82 HIS C C 82 172.730 172.730 174.214 -1.484 25137 11578 1 17 . 1 1 82 82 HIS CA C 82 52.947 52.947 53.777 -0.830 25137 11579 1 17 . 1 1 82 82 HIS CB C 82 31.171 31.171 29.254 1.917 25137 11580 1 17 . 1 1 82 82 HIS H H 82 8.828 8.828 8.406 0.422 25137 11581 1 17 . 1 1 83 83 THR N N 83 114.001 114.001 116.780 -2.779 25137 11582 1 17 . 1 1 83 83 THR HA H 83 5.305 5.305 5.080 0.225 25137 11583 1 17 . 1 1 83 83 THR C C 83 172.800 172.800 174.778 -1.978 25137 11584 1 17 . 1 1 83 83 THR CA C 83 58.807 58.807 59.364 -0.556 25137 11585 1 17 . 1 1 83 83 THR CB C 83 69.366 69.366 70.805 -1.439 25137 11586 1 17 . 1 1 83 83 THR H H 83 7.252 7.252 7.576 -0.324 25137 11587 1 17 . 1 1 84 84 GLY N N 84 115.666 115.666 111.301 4.365 25137 11588 1 17 . 1 1 84 84 GLY C C 84 173.764 173.764 173.477 0.287 25137 11589 1 17 . 1 1 84 84 GLY CA C 84 45.284 45.284 44.563 0.721 25137 11590 1 17 . 1 1 84 84 GLY H H 84 8.483 8.483 8.797 -0.314 25137 11591 1 17 . 1 1 85 85 ASP N N 85 123.490 123.490 119.481 4.009 25137 11592 1 17 . 1 1 85 85 ASP HA H 85 4.982 4.982 4.877 0.105 25137 11593 1 17 . 1 1 85 85 ASP C C 85 175.829 175.829 175.224 0.605 25137 11594 1 17 . 1 1 85 85 ASP CA C 85 53.420 53.420 53.986 -0.566 25137 11595 1 17 . 1 1 85 85 ASP CB C 85 41.560 41.560 43.037 -1.477 25137 11596 1 17 . 1 1 85 85 ASP H H 85 8.510 8.510 8.028 0.482 25137 11597 1 17 . 1 1 86 86 LEU N N 86 122.010 122.010 125.356 -3.346 25137 11598 1 17 . 1 1 86 86 LEU HA H 86 3.997 3.997 4.640 -0.643 25137 11599 1 17 . 1 1 86 86 LEU C C 86 178.242 178.242 176.639 1.603 25137 11600 1 17 . 1 1 86 86 LEU CA C 86 57.410 57.410 55.163 2.248 25137 11601 1 17 . 1 1 86 86 LEU CB C 86 42.000 42.000 42.662 -0.662 25137 11602 1 17 . 1 1 86 86 LEU H H 86 8.210 8.210 8.624 -0.414 25137 11603 1 17 . 1 1 87 87 ASP N N 87 117.260 117.260 120.817 -3.557 25137 11604 1 17 . 1 1 87 87 ASP HA H 87 4.535 4.535 4.588 -0.053 25137 11605 1 17 . 1 1 87 87 ASP C C 87 178.351 178.351 178.512 -0.161 25137 11606 1 17 . 1 1 87 87 ASP CA C 87 56.010 56.010 57.495 -1.484 25137 11607 1 17 . 1 1 87 87 ASP CB C 87 41.400 41.400 40.934 0.466 25137 11608 1 17 . 1 1 87 87 ASP H H 87 8.290 8.290 8.044 0.246 25137 11609 1 17 . 1 1 88 88 ARG N N 88 120.750 120.750 120.316 0.434 25137 11610 1 17 . 1 1 88 88 ARG HA H 88 4.015 4.015 4.062 -0.047 25137 11611 1 17 . 1 1 88 88 ARG C C 88 177.300 177.300 177.663 -0.363 25137 11612 1 17 . 1 1 88 88 ARG CA C 88 58.340 58.340 58.179 0.161 25137 11613 1 17 . 1 1 88 88 ARG CB C 88 30.460 30.460 30.467 -0.007 25137 11614 1 17 . 1 1 88 88 ARG H H 88 8.040 8.040 8.518 -0.478 25137 11615 1 17 . 1 1 89 89 HIS N N 89 115.580 115.580 115.739 -0.159 25137 11616 1 17 . 1 1 89 89 HIS HA H 89 5.026 5.026 4.794 0.232 25137 11617 1 17 . 1 1 89 89 HIS C C 89 175.670 175.670 175.425 0.245 25137 11618 1 17 . 1 1 89 89 HIS CA C 89 55.300 55.300 55.220 0.080 25137 11619 1 17 . 1 1 89 89 HIS CB C 89 29.890 29.890 29.478 0.412 25137 11620 1 17 . 1 1 89 89 HIS H H 89 7.900 7.900 8.608 -0.708 25137 11621 1 17 . 1 1 90 90 GLY N N 90 108.320 108.320 108.364 -0.044 25137 11622 1 17 . 1 1 90 90 GLY C C 90 175.880 175.880 175.170 0.710 25137 11623 1 17 . 1 1 90 90 GLY CA C 90 48.310 48.310 46.889 1.421 25137 11624 1 17 . 1 1 90 90 GLY H H 90 7.790 7.790 7.781 0.009 25137 11625 1 17 . 1 1 91 91 GLU N N 91 120.490 120.490 120.620 -0.130 25137 11626 1 17 . 1 1 91 91 GLU HA H 91 4.043 4.043 4.114 -0.071 25137 11627 1 17 . 1 1 91 91 GLU C C 91 178.410 178.410 178.205 0.205 25137 11628 1 17 . 1 1 91 91 GLU CA C 91 59.200 59.200 58.202 0.998 25137 11629 1 17 . 1 1 91 91 GLU CB C 91 29.240 29.240 29.551 -0.311 25137 11630 1 17 . 1 1 91 91 GLU H H 91 8.580 8.580 8.291 0.289 25137 11631 1 17 . 1 1 92 92 LEU N N 92 121.740 121.740 121.265 0.475 25137 11632 1 17 . 1 1 92 92 LEU HA H 92 4.048 4.048 4.040 0.008 25137 11633 1 17 . 1 1 92 92 LEU C C 92 178.630 178.630 178.449 0.181 25137 11634 1 17 . 1 1 92 92 LEU CA C 92 57.690 57.690 57.687 0.003 25137 11635 1 17 . 1 1 92 92 LEU CB C 92 41.820 41.820 41.829 -0.009 25137 11636 1 17 . 1 1 92 92 LEU H H 92 7.690 7.690 7.563 0.127 25137 11637 1 17 . 1 1 93 93 LEU N N 93 117.310 117.310 118.919 -1.609 25137 11638 1 17 . 1 1 93 93 LEU HA H 93 3.881 3.881 3.934 -0.053 25137 11639 1 17 . 1 1 93 93 LEU C C 93 174.967 174.967 179.054 -4.087 25137 11640 1 17 . 1 1 93 93 LEU CA C 93 57.940 57.940 57.962 -0.022 25137 11641 1 17 . 1 1 93 93 LEU CB C 93 40.640 40.640 40.153 0.487 25137 11642 1 17 . 1 1 93 93 LEU H H 93 8.160 8.160 7.690 0.470 25137 11643 1 17 . 1 1 94 94 ARG N N 94 117.940 117.940 117.679 0.261 25137 11644 1 17 . 1 1 94 94 ARG HA H 94 4.120 4.120 4.162 -0.042 25137 11645 1 17 . 1 1 94 94 ARG C C 94 177.870 177.870 178.274 -0.404 25137 11646 1 17 . 1 1 94 94 ARG CA C 94 58.450 58.450 57.638 0.812 25137 11647 1 17 . 1 1 94 94 ARG CB C 94 30.370 30.370 29.480 0.890 25137 11648 1 17 . 1 1 94 94 ARG H H 94 7.770 7.770 7.757 0.013 25137 11649 1 17 . 1 1 95 95 LYS N N 95 118.380 118.380 117.929 0.451 25137 11650 1 17 . 1 1 95 95 LYS HA H 95 4.160 4.160 4.199 -0.039 25137 11651 1 17 . 1 1 95 95 LYS C C 95 177.730 177.730 178.154 -0.424 25137 11652 1 17 . 1 1 95 95 LYS CA C 95 57.600 57.600 58.478 -0.879 25137 11653 1 17 . 1 1 95 95 LYS CB C 95 32.770 32.770 32.974 -0.204 25137 11654 1 17 . 1 1 95 95 LYS H H 95 7.640 7.640 7.572 0.068 25137 11655 1 17 . 1 1 96 96 ILE N N 96 120.160 120.160 117.892 2.268 25137 11656 1 17 . 1 1 96 96 ILE HA H 96 3.781 3.781 3.982 -0.201 25137 11657 1 17 . 1 1 96 96 ILE C C 96 175.840 175.840 175.774 0.066 25137 11658 1 17 . 1 1 96 96 ILE CA C 96 63.720 63.720 63.666 0.054 25137 11659 1 17 . 1 1 96 96 ILE CB C 96 38.670 38.670 38.974 -0.304 25137 11660 1 17 . 1 1 96 96 ILE H H 96 7.980 7.980 7.715 0.265 25137 11661 1 17 . 1 1 97 97 ASP N N 97 120.510 120.510 120.446 0.064 25137 11662 1 17 . 1 1 97 97 ASP HA H 97 4.380 4.380 4.261 0.119 25137 11663 1 17 . 1 1 97 97 ASP C C 97 173.580 173.580 173.791 -0.211 25137 11664 1 17 . 1 1 97 97 ASP CA C 97 54.300 54.300 55.205 -0.905 25137 11665 1 17 . 1 1 97 97 ASP CB C 97 39.490 39.490 40.488 -0.998 25137 11666 1 17 . 1 1 97 97 ASP H H 97 8.160 8.160 8.248 -0.088 25137 11667 1 17 . 1 1 98 98 ALA N N 98 123.800 123.800 124.017 -0.217 25137 11668 1 17 . 1 1 98 98 ALA HA H 98 4.550 4.550 4.654 -0.104 25137 11669 1 17 . 1 1 98 98 ALA CA C 98 49.860 49.860 50.722 -0.862 25137 11670 1 17 . 1 1 98 98 ALA CB C 98 21.070 21.070 20.506 0.563 25137 11671 1 17 . 1 1 98 98 ALA H H 98 7.680 7.680 8.024 -0.344 25137 11672 1 17 . 1 1 99 99 PRO HA H 99 4.370 4.370 4.518 -0.148 25137 11673 1 17 . 1 1 99 99 PRO C C 99 174.760 174.760 175.387 -0.627 25137 11674 1 17 . 1 1 99 99 PRO CA C 99 62.950 62.950 63.451 -0.501 25137 11675 1 17 . 1 1 99 99 PRO CB C 99 32.310 32.310 32.103 0.207 25137 11676 1 17 . 1 1 100 100 VAL N N 100 120.490 120.490 122.151 -1.661 25137 11677 1 17 . 1 1 100 100 VAL HA H 100 4.832 4.832 4.630 0.202 25137 11678 1 17 . 1 1 100 100 VAL C C 100 176.650 176.650 175.474 1.176 25137 11679 1 17 . 1 1 100 100 VAL CA C 100 60.450 60.450 61.533 -1.083 25137 11680 1 17 . 1 1 100 100 VAL CB C 100 34.830 34.830 34.346 0.484 25137 11681 1 17 . 1 1 100 100 VAL H H 100 8.270 8.270 8.247 0.023 25137 11682 1 17 . 1 1 101 101 MET N N 101 127.420 127.420 127.132 0.288 25137 11683 1 17 . 1 1 101 101 MET HA H 101 4.705 4.705 4.784 -0.079 25137 11684 1 17 . 1 1 101 101 MET C C 101 174.490 174.490 175.067 -0.577 25137 11685 1 17 . 1 1 101 101 MET CA C 101 54.730 54.730 54.120 0.610 25137 11686 1 17 . 1 1 101 101 MET CB C 101 34.560 34.560 34.678 -0.118 25137 11687 1 17 . 1 1 101 101 MET H H 101 9.240 9.240 9.198 0.042 25137 11688 1 17 . 1 1 102 102 ALA N N 102 128.590 128.590 128.237 0.353 25137 11689 1 17 . 1 1 102 102 ALA HA H 102 4.608 4.608 4.949 -0.341 25137 11690 1 17 . 1 1 102 102 ALA C C 102 177.935 177.935 177.510 0.425 25137 11691 1 17 . 1 1 102 102 ALA CA C 102 51.930 51.930 51.757 0.173 25137 11692 1 17 . 1 1 102 102 ALA CB C 102 19.040 19.040 19.900 -0.860 25137 11693 1 17 . 1 1 102 102 ALA H H 102 8.760 8.760 8.606 0.154 25137 11694 1 17 . 1 1 103 103 LYS N N 103 120.200 120.200 123.057 -2.857 25137 11695 1 17 . 1 1 103 103 LYS HA H 103 4.284 4.284 4.962 -0.678 25137 11696 1 17 . 1 1 103 103 LYS CA C 103 54.370 54.370 54.553 -0.183 25137 11697 1 17 . 1 1 103 103 LYS CB C 103 34.190 34.190 32.306 1.884 25137 11698 1 17 . 1 1 103 103 LYS H H 103 7.300 7.300 8.058 -0.758 25137 11699 1 17 . 1 1 104 104 PRO HA H 104 4.611 4.611 4.591 0.020 25137 11700 1 17 . 1 1 104 104 PRO C C 104 174.980 174.980 175.812 -0.832 25137 11701 1 17 . 1 1 104 104 PRO CA C 104 62.626 62.626 62.461 0.165 25137 11702 1 17 . 1 1 104 104 PRO CB C 104 33.867 33.867 32.399 1.468 25137 11703 1 17 . 1 1 105 105 ALA N N 105 125.082 125.082 123.932 1.150 25137 11704 1 17 . 1 1 105 105 ALA HA H 105 4.576 4.576 4.424 0.152 25137 11705 1 17 . 1 1 105 105 ALA C C 105 176.890 176.890 175.767 1.123 25137 11706 1 17 . 1 1 105 105 ALA CA C 105 51.177 51.177 51.788 -0.611 25137 11707 1 17 . 1 1 105 105 ALA CB C 105 21.735 21.735 21.288 0.447 25137 11708 1 17 . 1 1 105 105 ALA H H 105 8.668 8.668 8.210 0.458 25137 11709 1 17 . 1 1 106 106 ASP N N 106 122.306 122.306 122.320 -0.014 25137 11710 1 17 . 1 1 106 106 ASP HA H 106 4.636 4.636 4.561 0.075 25137 11711 1 17 . 1 1 106 106 ASP C C 106 178.383 178.383 177.867 0.516 25137 11712 1 17 . 1 1 106 106 ASP CA C 106 54.312 54.312 53.899 0.413 25137 11713 1 17 . 1 1 106 106 ASP CB C 106 41.260 41.260 42.922 -1.662 25137 11714 1 17 . 1 1 106 106 ASP H H 106 8.867 8.867 8.452 0.415 25137 11715 1 17 . 1 1 107 107 THR N N 107 119.540 119.540 118.728 0.812 25137 11716 1 17 . 1 1 107 107 THR HA H 107 3.573 3.573 3.965 -0.392 25137 11717 1 17 . 1 1 107 107 THR C C 107 176.393 176.393 175.980 0.413 25137 11718 1 17 . 1 1 107 107 THR CA C 107 65.940 65.940 65.789 0.151 25137 11719 1 17 . 1 1 107 107 THR CB C 107 68.191 68.191 68.676 -0.485 25137 11720 1 17 . 1 1 107 107 THR H H 107 8.658 8.658 8.549 0.109 25137 11721 1 17 . 1 1 108 108 SER N N 108 117.095 117.095 118.164 -1.069 25137 11722 1 17 . 1 1 108 108 SER HA H 108 4.140 4.140 3.988 0.152 25137 11723 1 17 . 1 1 108 108 SER C C 108 176.143 176.143 176.143 0.000 25137 11724 1 17 . 1 1 108 108 SER CA C 108 61.650 61.650 62.782 -1.132 25137 11725 1 17 . 1 1 108 108 SER CB C 108 62.450 62.450 62.551 -0.101 25137 11726 1 17 . 1 1 108 108 SER H H 108 8.480 8.480 7.744 0.736 25137 11727 1 17 . 1 1 109 109 ASP N N 109 122.520 122.520 122.557 -0.037 25137 11728 1 17 . 1 1 109 109 ASP HA H 109 4.400 4.400 4.351 0.049 25137 11729 1 17 . 1 1 109 109 ASP C C 109 178.499 178.499 178.349 0.150 25137 11730 1 17 . 1 1 109 109 ASP CA C 109 56.990 56.990 57.352 -0.362 25137 11731 1 17 . 1 1 109 109 ASP CB C 109 40.560 40.560 40.672 -0.112 25137 11732 1 17 . 1 1 109 109 ASP H H 109 7.350 7.350 7.742 -0.392 25137 11733 1 17 . 1 1 110 110 VAL N N 110 120.210 120.210 120.515 -0.305 25137 11734 1 17 . 1 1 110 110 VAL HA H 110 3.262 3.262 3.696 -0.434 25137 11735 1 17 . 1 1 110 110 VAL C C 110 176.535 176.535 178.260 -1.725 25137 11736 1 17 . 1 1 110 110 VAL CA C 110 66.090 66.090 66.006 0.084 25137 11737 1 17 . 1 1 110 110 VAL CB C 110 31.400 31.400 31.220 0.180 25137 11738 1 17 . 1 1 110 110 VAL H H 110 7.440 7.440 7.894 -0.454 25137 11739 1 17 . 1 1 111 111 ALA N N 111 118.790 118.790 121.550 -2.760 25137 11740 1 17 . 1 1 111 111 ALA HA H 111 3.264 3.264 2.710 0.554 25137 11741 1 17 . 1 1 111 111 ALA C C 111 179.030 179.030 179.300 -0.270 25137 11742 1 17 . 1 1 111 111 ALA CA C 111 54.590 54.590 54.724 -0.134 25137 11743 1 17 . 1 1 111 111 ALA CB C 111 16.480 16.480 17.456 -0.976 25137 11744 1 17 . 1 1 111 111 ALA H H 111 7.610 7.610 7.849 -0.239 25137 11745 1 17 . 1 1 112 112 LYS N N 112 115.540 115.540 118.210 -2.670 25137 11746 1 17 . 1 1 112 112 LYS HA H 112 3.750 3.750 3.918 -0.168 25137 11747 1 17 . 1 1 112 112 LYS C C 112 179.470 179.470 179.364 0.106 25137 11748 1 17 . 1 1 112 112 LYS CA C 112 60.020 60.020 59.554 0.466 25137 11749 1 17 . 1 1 112 112 LYS CB C 112 32.680 32.680 32.255 0.425 25137 11750 1 17 . 1 1 112 112 LYS H H 112 7.840 7.840 8.195 -0.355 25137 11751 1 17 . 1 1 113 113 ARG N N 113 118.590 118.590 117.740 0.850 25137 11752 1 17 . 1 1 113 113 ARG HA H 113 4.021 4.021 4.161 -0.140 25137 11753 1 17 . 1 1 113 113 ARG C C 113 179.120 179.120 178.682 0.438 25137 11754 1 17 . 1 1 113 113 ARG CA C 113 58.180 58.180 57.837 0.344 25137 11755 1 17 . 1 1 113 113 ARG CB C 113 29.530 29.530 29.471 0.059 25137 11756 1 17 . 1 1 113 113 ARG H H 113 7.860 7.860 8.148 -0.288 25137 11757 1 17 . 1 1 114 114 ALA N N 114 120.520 120.520 122.786 -2.266 25137 11758 1 17 . 1 1 114 114 ALA HA H 114 4.046 4.046 4.278 -0.232 25137 11759 1 17 . 1 1 114 114 ALA C C 114 179.280 179.280 179.447 -0.167 25137 11760 1 17 . 1 1 114 114 ALA CA C 114 55.070 55.070 54.835 0.235 25137 11761 1 17 . 1 1 114 114 ALA CB C 114 17.920 17.920 18.946 -1.026 25137 11762 1 17 . 1 1 114 114 ALA H H 114 8.190 8.190 7.573 0.617 25137 11763 1 17 . 1 1 115 115 LEU N N 115 115.820 115.820 117.950 -2.130 25137 11764 1 17 . 1 1 115 115 LEU HA H 115 4.225 4.225 4.237 -0.012 25137 11765 1 17 . 1 1 115 115 LEU C C 115 180.490 180.490 179.295 1.195 25137 11766 1 17 . 1 1 115 115 LEU CA C 115 57.600 57.600 56.876 0.724 25137 11767 1 17 . 1 1 115 115 LEU CB C 115 40.590 40.590 42.126 -1.536 25137 11768 1 17 . 1 1 115 115 LEU H H 115 8.320 8.320 8.679 -0.359 25137 11769 1 17 . 1 1 116 116 GLU N N 116 119.789 119.789 117.964 1.825 25137 11770 1 17 . 1 1 116 116 GLU HA H 116 4.109 4.109 4.134 -0.025 25137 11771 1 17 . 1 1 116 116 GLU C C 116 178.790 178.790 179.236 -0.446 25137 11772 1 17 . 1 1 116 116 GLU CA C 116 58.625 58.625 58.543 0.082 25137 11773 1 17 . 1 1 116 116 GLU CB C 116 29.548 29.548 28.832 0.716 25137 11774 1 17 . 1 1 116 116 GLU H H 116 7.904 7.904 8.013 -0.109 25137 11775 1 17 . 1 1 117 117 MET N N 117 116.426 116.426 118.863 -2.437 25137 11776 1 17 . 1 1 117 117 MET HA H 117 4.245 4.245 4.262 -0.017 25137 11777 1 17 . 1 1 117 117 MET C C 117 176.890 176.890 177.135 -0.245 25137 11778 1 17 . 1 1 117 117 MET CA C 117 57.638 57.638 58.426 -0.788 25137 11779 1 17 . 1 1 117 117 MET CB C 117 33.467 33.467 33.209 0.258 25137 11780 1 17 . 1 1 117 117 MET H H 117 7.712 7.712 7.580 0.132 25137 11781 1 17 . 1 1 118 118 CYS N N 118 113.993 113.993 112.032 1.961 25137 11782 1 17 . 1 1 118 118 CYS HA H 118 4.699 4.699 4.670 0.029 25137 11783 1 17 . 1 1 118 118 CYS C C 118 174.750 174.750 176.225 -1.475 25137 11784 1 17 . 1 1 118 118 CYS CA C 118 58.541 58.541 56.739 1.802 25137 11785 1 17 . 1 1 118 118 CYS CB C 118 28.552 28.552 27.696 0.856 25137 11786 1 17 . 1 1 118 118 CYS H H 118 7.428 7.428 7.553 -0.125 25137 11787 1 17 . 1 1 119 119 GLY N N 119 109.823 109.823 110.871 -1.048 25137 11788 1 17 . 1 1 119 119 GLY C C 119 174.660 174.660 174.106 0.554 25137 11789 1 17 . 1 1 119 119 GLY CA C 119 45.709 45.709 45.282 0.427 25137 11790 1 17 . 1 1 119 119 GLY H H 119 8.056 8.056 7.727 0.329 25137 11791 1 17 . 1 1 120 120 GLY N N 120 108.821 108.821 110.311 -1.490 25137 11792 1 17 . 1 1 120 120 GLY C C 120 173.790 173.790 172.789 1.001 25137 11793 1 17 . 1 1 120 120 GLY CA C 120 45.326 45.326 45.720 -0.394 25137 11794 1 17 . 1 1 120 120 GLY H H 120 8.301 8.301 8.175 0.126 25137 11795 1 17 . 1 1 121 121 ASP N N 121 120.383 120.383 119.884 0.499 25137 11796 1 17 . 1 1 121 121 ASP HA H 121 4.591 4.591 4.667 -0.076 25137 11797 1 17 . 1 1 121 121 ASP C C 121 176.160 176.160 175.368 0.792 25137 11798 1 17 . 1 1 121 121 ASP CA C 121 54.313 54.313 53.357 0.956 25137 11799 1 17 . 1 1 121 121 ASP CB C 121 41.079 41.079 42.095 -1.016 25137 11800 1 17 . 1 1 121 121 ASP H H 121 8.438 8.438 8.004 0.434 25137 11801 1 17 . 1 1 122 122 LYS N N 122 121.450 121.450 121.423 0.027 25137 11802 1 17 . 1 1 122 122 LYS HA H 122 4.350 4.350 4.359 -0.009 25137 11803 1 17 . 1 1 122 122 LYS C C 122 177.184 177.184 176.488 0.696 25137 11804 1 17 . 1 1 122 122 LYS CA C 122 55.890 55.890 56.710 -0.820 25137 11805 1 17 . 1 1 122 122 LYS CB C 122 33.190 33.190 32.642 0.548 25137 11806 1 17 . 1 1 122 122 LYS H H 122 8.258 8.258 8.496 -0.238 25137 11807 1 17 . 1 1 123 123 GLU N N 123 123.560 123.560 126.746 -3.186 25137 11808 1 17 . 1 1 123 123 GLU HA H 123 4.550 4.550 4.445 0.105 25137 11809 1 17 . 1 1 123 123 GLU CA C 123 54.470 54.470 54.305 0.165 25137 11810 1 17 . 1 1 123 123 GLU CB C 123 29.640 29.640 30.404 -0.764 25137 11811 1 17 . 1 1 123 123 GLU H H 123 8.420 8.420 8.658 -0.238 25137 11812 1 17 . 1 1 124 124 PRO HA H 124 4.384 4.384 4.390 -0.006 25137 11813 1 17 . 1 1 124 124 PRO C C 124 175.770 175.770 175.543 0.227 25137 11814 1 17 . 1 1 124 124 PRO CA C 124 63.350 63.350 63.093 0.257 25137 11815 1 17 . 1 1 124 124 PRO CB C 124 32.300 32.300 31.176 1.124 25137 11816 1 18 . 1 1 2 2 ALA N N 2 123.423 123.423 122.641 0.782 25137 11817 1 18 . 1 1 2 2 ALA HA H 2 4.357 4.357 4.915 -0.558 25137 11818 1 18 . 1 1 2 2 ALA C C 2 177.811 177.811 178.314 -0.503 25137 11819 1 18 . 1 1 2 2 ALA CA C 2 52.652 52.652 54.131 -1.479 25137 11820 1 18 . 1 1 2 2 ALA CB C 2 19.488 19.488 18.717 0.771 25137 11821 1 18 . 1 1 2 2 ALA H H 2 7.983 7.983 9.017 -1.034 25137 11822 1 18 . 1 1 3 3 MET N N 3 119.390 119.390 115.533 3.857 25137 11823 1 18 . 1 1 3 3 MET HA H 3 4.482 4.482 4.723 -0.241 25137 11824 1 18 . 1 1 3 3 MET C C 3 176.569 176.569 175.111 1.458 25137 11825 1 18 . 1 1 3 3 MET CA C 3 55.570 55.570 54.905 0.665 25137 11826 1 18 . 1 1 3 3 MET CB C 3 32.900 32.900 34.365 -1.465 25137 11827 1 18 . 1 1 3 3 MET H H 3 8.570 8.570 7.809 0.761 25137 11828 1 18 . 1 1 4 4 GLY N N 4 110.130 110.130 109.010 1.120 25137 11829 1 18 . 1 1 4 4 GLY C C 4 173.630 173.630 173.556 0.074 25137 11830 1 18 . 1 1 4 4 GLY CA C 4 45.270 45.270 44.521 0.749 25137 11831 1 18 . 1 1 4 4 GLY H H 4 8.370 8.370 8.229 0.141 25137 11832 1 18 . 1 1 5 5 MET N N 5 121.570 121.570 119.075 2.495 25137 11833 1 18 . 1 1 5 5 MET HA H 5 4.780 4.780 4.975 -0.195 25137 11834 1 18 . 1 1 5 5 MET CA C 5 53.630 53.630 53.036 0.594 25137 11835 1 18 . 1 1 5 5 MET CB C 5 33.140 33.140 33.321 -0.181 25137 11836 1 18 . 1 1 5 5 MET H H 5 8.210 8.210 7.703 0.507 25137 11837 1 18 . 1 1 6 6 PRO HA H 6 4.505 4.505 4.727 -0.222 25137 11838 1 18 . 1 1 6 6 PRO C C 6 174.520 174.520 175.481 -0.961 25137 11839 1 18 . 1 1 6 6 PRO CA C 6 62.980 62.980 62.140 0.840 25137 11840 1 18 . 1 1 6 6 PRO CB C 6 32.400 32.400 32.813 -0.413 25137 11841 1 18 . 1 1 7 7 LYS N N 7 123.443 123.443 123.381 0.062 25137 11842 1 18 . 1 1 7 7 LYS HA H 7 5.000 5.000 4.686 0.314 25137 11843 1 18 . 1 1 7 7 LYS C C 7 175.920 175.920 175.990 -0.070 25137 11844 1 18 . 1 1 7 7 LYS CA C 7 54.911 54.911 55.078 -0.167 25137 11845 1 18 . 1 1 7 7 LYS CB C 7 33.635 33.635 32.740 0.895 25137 11846 1 18 . 1 1 7 7 LYS H H 7 9.675 9.675 9.287 0.388 25137 11847 1 18 . 1 1 8 8 VAL N N 8 125.859 125.859 127.775 -1.916 25137 11848 1 18 . 1 1 8 8 VAL HA H 8 4.723 4.723 4.929 -0.206 25137 11849 1 18 . 1 1 8 8 VAL C C 8 174.630 174.630 174.208 0.422 25137 11850 1 18 . 1 1 8 8 VAL CA C 8 59.726 59.726 61.232 -1.506 25137 11851 1 18 . 1 1 8 8 VAL CB C 8 34.991 34.991 33.104 1.887 25137 11852 1 18 . 1 1 8 8 VAL H H 8 8.851 8.851 9.121 -0.270 25137 11853 1 18 . 1 1 9 9 LEU N N 9 127.114 127.114 129.778 -2.664 25137 11854 1 18 . 1 1 9 9 LEU HA H 9 5.190 5.190 4.914 0.276 25137 11855 1 18 . 1 1 9 9 LEU C C 9 174.090 174.090 174.615 -0.525 25137 11856 1 18 . 1 1 9 9 LEU CA C 9 53.090 53.090 53.285 -0.195 25137 11857 1 18 . 1 1 9 9 LEU CB C 9 45.007 45.007 44.163 0.844 25137 11858 1 18 . 1 1 9 9 LEU H H 9 7.881 7.881 8.809 -0.928 25137 11859 1 18 . 1 1 10 10 VAL N N 10 128.024 128.024 128.433 -0.409 25137 11860 1 18 . 1 1 10 10 VAL HA H 10 4.647 4.647 4.379 0.268 25137 11861 1 18 . 1 1 10 10 VAL C C 10 172.900 172.900 174.108 -1.208 25137 11862 1 18 . 1 1 10 10 VAL CA C 10 61.206 61.206 62.251 -1.045 25137 11863 1 18 . 1 1 10 10 VAL CB C 10 34.541 34.541 32.832 1.709 25137 11864 1 18 . 1 1 10 10 VAL H H 10 8.952 8.952 9.255 -0.303 25137 11865 1 18 . 1 1 11 11 LEU N N 11 128.979 128.979 130.265 -1.286 25137 11866 1 18 . 1 1 11 11 LEU HA H 11 5.504 5.504 5.202 0.302 25137 11867 1 18 . 1 1 11 11 LEU C C 11 174.450 174.450 175.306 -0.856 25137 11868 1 18 . 1 1 11 11 LEU CA C 11 52.328 52.328 53.200 -0.872 25137 11869 1 18 . 1 1 11 11 LEU CB C 11 45.000 45.000 41.282 3.718 25137 11870 1 18 . 1 1 11 11 LEU H H 11 8.433 8.433 9.212 -0.779 25137 11871 1 18 . 1 1 12 12 GLU N N 12 128.158 128.158 124.944 3.214 25137 11872 1 18 . 1 1 12 12 GLU HA H 12 4.294 4.294 4.562 -0.268 25137 11873 1 18 . 1 1 12 12 GLU C C 12 173.120 173.120 174.635 -1.515 25137 11874 1 18 . 1 1 12 12 GLU CA C 12 56.964 56.964 55.984 0.980 25137 11875 1 18 . 1 1 12 12 GLU CB C 12 32.201 32.201 32.863 -0.662 25137 11876 1 18 . 1 1 12 12 GLU H H 12 8.532 8.532 8.579 -0.047 25137 11877 1 18 . 1 1 13 13 ASP N N 13 123.077 123.077 125.977 -2.900 25137 11878 1 18 . 1 1 13 13 ASP HA H 13 4.659 4.659 4.544 0.115 25137 11879 1 18 . 1 1 13 13 ASP C C 13 176.090 176.090 176.880 -0.790 25137 11880 1 18 . 1 1 13 13 ASP CA C 13 55.140 55.140 55.198 -0.058 25137 11881 1 18 . 1 1 13 13 ASP CB C 13 40.524 40.524 41.608 -1.084 25137 11882 1 18 . 1 1 13 13 ASP H H 13 8.803 8.803 8.707 0.096 25137 11883 1 18 . 1 1 14 14 GLU N N 14 126.685 126.685 120.476 6.209 25137 11884 1 18 . 1 1 14 14 GLU HA H 14 4.809 4.809 4.598 0.211 25137 11885 1 18 . 1 1 14 14 GLU CA C 14 54.574 54.574 54.181 0.394 25137 11886 1 18 . 1 1 14 14 GLU CB C 14 29.310 29.310 29.615 -0.305 25137 11887 1 18 . 1 1 14 14 GLU H H 14 10.077 10.077 8.194 1.883 25137 11888 1 18 . 1 1 15 15 PRO HA H 15 4.273 4.273 4.179 0.094 25137 11889 1 18 . 1 1 15 15 PRO C C 15 179.110 179.110 177.935 1.175 25137 11890 1 18 . 1 1 15 15 PRO CA C 15 65.472 65.472 65.813 -0.341 25137 11891 1 18 . 1 1 15 15 PRO CB C 15 32.462 32.462 31.763 0.699 25137 11892 1 18 . 1 1 16 16 LEU N N 16 118.358 118.358 118.411 -0.053 25137 11893 1 18 . 1 1 16 16 LEU HA H 16 4.131 4.131 4.114 0.017 25137 11894 1 18 . 1 1 16 16 LEU C C 16 179.260 179.260 178.587 0.673 25137 11895 1 18 . 1 1 16 16 LEU CA C 16 58.306 58.306 57.657 0.649 25137 11896 1 18 . 1 1 16 16 LEU CB C 16 41.731 41.731 41.796 -0.065 25137 11897 1 18 . 1 1 16 16 LEU H H 16 8.851 8.851 7.833 1.018 25137 11898 1 18 . 1 1 17 17 ILE N N 17 117.680 117.680 119.013 -1.333 25137 11899 1 18 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.655 0.177 25137 11900 1 18 . 1 1 17 17 ILE C C 17 178.230 178.230 177.909 0.321 25137 11901 1 18 . 1 1 17 17 ILE CA C 17 63.344 63.344 64.820 -1.476 25137 11902 1 18 . 1 1 17 17 ILE CB C 17 36.564 36.564 37.493 -0.929 25137 11903 1 18 . 1 1 17 17 ILE H H 17 6.886 6.886 7.400 -0.514 25137 11904 1 18 . 1 1 18 18 ALA N N 18 122.321 122.321 123.104 -0.783 25137 11905 1 18 . 1 1 18 18 ALA HA H 18 3.720 3.720 3.932 -0.212 25137 11906 1 18 . 1 1 18 18 ALA C C 18 178.900 178.900 179.342 -0.442 25137 11907 1 18 . 1 1 18 18 ALA CA C 18 55.890 55.890 55.537 0.353 25137 11908 1 18 . 1 1 18 18 ALA CB C 18 18.165 18.165 18.244 -0.079 25137 11909 1 18 . 1 1 18 18 ALA H H 18 7.988 7.988 8.677 -0.689 25137 11910 1 18 . 1 1 19 19 MET N N 19 115.807 115.807 119.062 -3.255 25137 11911 1 18 . 1 1 19 19 MET HA H 19 3.999 3.999 4.013 -0.014 25137 11912 1 18 . 1 1 19 19 MET C C 19 177.180 177.180 178.140 -0.960 25137 11913 1 18 . 1 1 19 19 MET CA C 19 58.144 58.144 59.286 -1.142 25137 11914 1 18 . 1 1 19 19 MET CB C 19 32.852 32.852 32.812 0.040 25137 11915 1 18 . 1 1 19 19 MET H H 19 8.204 8.204 8.468 -0.264 25137 11916 1 18 . 1 1 20 20 ASN N N 20 117.843 117.843 118.845 -1.002 25137 11917 1 18 . 1 1 20 20 ASN HA H 20 4.545 4.545 4.678 -0.133 25137 11918 1 18 . 1 1 20 20 ASN C C 20 179.590 179.590 178.387 1.203 25137 11919 1 18 . 1 1 20 20 ASN CA C 20 56.222 56.222 56.745 -0.523 25137 11920 1 18 . 1 1 20 20 ASN CB C 20 38.005 38.005 38.966 -0.961 25137 11921 1 18 . 1 1 20 20 ASN H H 20 7.839 7.839 8.158 -0.319 25137 11922 1 18 . 1 1 21 21 LEU N N 21 121.749 121.749 121.479 0.270 25137 11923 1 18 . 1 1 21 21 LEU HA H 21 4.055 4.055 4.091 -0.036 25137 11924 1 18 . 1 1 21 21 LEU C C 21 177.750 177.750 178.824 -1.074 25137 11925 1 18 . 1 1 21 21 LEU CA C 21 58.268 58.268 58.491 -0.223 25137 11926 1 18 . 1 1 21 21 LEU CB C 21 42.605 42.605 42.016 0.589 25137 11927 1 18 . 1 1 21 21 LEU H H 21 8.601 8.601 8.917 -0.316 25137 11928 1 18 . 1 1 22 22 GLN N N 22 120.991 120.991 119.559 1.432 25137 11929 1 18 . 1 1 22 22 GLN HA H 22 3.935 3.935 3.980 -0.045 25137 11930 1 18 . 1 1 22 22 GLN C C 22 178.070 178.070 178.665 -0.595 25137 11931 1 18 . 1 1 22 22 GLN CA C 22 60.463 60.463 59.461 1.002 25137 11932 1 18 . 1 1 22 22 GLN CB C 22 26.902 26.902 28.602 -1.700 25137 11933 1 18 . 1 1 22 22 GLN H H 22 8.749 8.749 8.209 0.540 25137 11934 1 18 . 1 1 23 23 TYR N N 23 117.446 117.446 118.483 -1.037 25137 11935 1 18 . 1 1 23 23 TYR HA H 23 4.517 4.517 4.267 0.250 25137 11936 1 18 . 1 1 23 23 TYR C C 23 178.210 178.210 178.249 -0.039 25137 11937 1 18 . 1 1 23 23 TYR CA C 23 59.425 59.425 61.328 -1.903 25137 11938 1 18 . 1 1 23 23 TYR CB C 23 36.975 36.975 37.977 -1.002 25137 11939 1 18 . 1 1 23 23 TYR H H 23 8.450 8.450 8.581 -0.131 25137 11940 1 18 . 1 1 24 24 ALA N N 24 121.627 121.627 123.036 -1.409 25137 11941 1 18 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.013 0.087 25137 11942 1 18 . 1 1 24 24 ALA C C 24 180.910 180.910 179.338 1.572 25137 11943 1 18 . 1 1 24 24 ALA CA C 24 55.060 55.060 54.928 0.132 25137 11944 1 18 . 1 1 24 24 ALA CB C 24 18.070 18.070 18.136 -0.066 25137 11945 1 18 . 1 1 24 24 ALA H H 24 7.765 7.765 8.030 -0.265 25137 11946 1 18 . 1 1 25 25 PHE N N 25 115.589 115.589 117.677 -2.088 25137 11947 1 18 . 1 1 25 25 PHE HA H 25 3.940 3.940 4.092 -0.152 25137 11948 1 18 . 1 1 25 25 PHE C C 25 179.090 179.090 178.511 0.579 25137 11949 1 18 . 1 1 25 25 PHE CA C 25 63.453 63.453 62.638 0.815 25137 11950 1 18 . 1 1 25 25 PHE CB C 25 39.484 39.484 38.830 0.654 25137 11951 1 18 . 1 1 25 25 PHE H H 25 8.348 8.348 8.753 -0.405 25137 11952 1 18 . 1 1 26 26 GLU N N 26 121.198 121.198 118.836 2.362 25137 11953 1 18 . 1 1 26 26 GLU HA H 26 4.429 4.429 4.335 0.094 25137 11954 1 18 . 1 1 26 26 GLU C C 26 181.680 181.680 178.585 3.095 25137 11955 1 18 . 1 1 26 26 GLU CA C 26 59.737 59.737 58.702 1.035 25137 11956 1 18 . 1 1 26 26 GLU CB C 26 28.925 28.925 29.487 -0.562 25137 11957 1 18 . 1 1 26 26 GLU H H 26 8.822 8.822 8.253 0.569 25137 11958 1 18 . 1 1 27 27 ASP N N 27 121.846 121.846 118.511 3.335 25137 11959 1 18 . 1 1 27 27 ASP HA H 27 4.468 4.468 4.511 -0.043 25137 11960 1 18 . 1 1 27 27 ASP C C 27 177.880 177.880 178.013 -0.133 25137 11961 1 18 . 1 1 27 27 ASP CA C 27 56.996 56.996 56.418 0.578 25137 11962 1 18 . 1 1 27 27 ASP CB C 27 40.640 40.640 41.035 -0.395 25137 11963 1 18 . 1 1 27 27 ASP H H 27 8.424 8.424 7.859 0.565 25137 11964 1 18 . 1 1 28 28 GLU N N 28 115.759 115.759 117.110 -1.351 25137 11965 1 18 . 1 1 28 28 GLU HA H 28 4.331 4.331 4.415 -0.084 25137 11966 1 18 . 1 1 28 28 GLU C C 28 176.460 176.460 176.615 -0.155 25137 11967 1 18 . 1 1 28 28 GLU CA C 28 55.395 55.395 55.931 -0.536 25137 11968 1 18 . 1 1 28 28 GLU CB C 28 30.264 30.264 30.049 0.214 25137 11969 1 18 . 1 1 28 28 GLU H H 28 7.170 7.170 7.749 -0.579 25137 11970 1 18 . 1 1 29 29 GLY N N 29 106.899 106.899 106.678 0.221 25137 11971 1 18 . 1 1 29 29 GLY C C 29 173.160 173.160 172.667 0.493 25137 11972 1 18 . 1 1 29 29 GLY CA C 29 45.589 45.589 45.151 0.438 25137 11973 1 18 . 1 1 29 29 GLY H H 29 7.889 7.889 7.443 0.446 25137 11974 1 18 . 1 1 30 30 ALA N N 30 121.007 121.007 119.875 1.132 25137 11975 1 18 . 1 1 30 30 ALA HA H 30 4.680 4.680 4.640 0.040 25137 11976 1 18 . 1 1 30 30 ALA C C 30 175.880 175.880 175.057 0.823 25137 11977 1 18 . 1 1 30 30 ALA CA C 30 50.666 50.666 50.890 -0.224 25137 11978 1 18 . 1 1 30 30 ALA CB C 30 21.882 21.882 22.336 -0.454 25137 11979 1 18 . 1 1 30 30 ALA H H 30 7.743 7.743 7.551 0.192 25137 11980 1 18 . 1 1 31 31 GLU N N 31 120.065 120.065 119.387 0.678 25137 11981 1 18 . 1 1 31 31 GLU HA H 31 4.664 4.664 4.744 -0.080 25137 11982 1 18 . 1 1 31 31 GLU C C 31 175.430 175.430 174.659 0.771 25137 11983 1 18 . 1 1 31 31 GLU CA C 31 55.136 55.136 54.905 0.231 25137 11984 1 18 . 1 1 31 31 GLU CB C 31 32.126 32.126 32.289 -0.163 25137 11985 1 18 . 1 1 31 31 GLU H H 31 8.595 8.595 8.548 0.047 25137 11986 1 18 . 1 1 32 32 VAL N N 32 123.414 123.414 124.325 -0.911 25137 11987 1 18 . 1 1 32 32 VAL HA H 32 4.787 4.787 4.824 -0.037 25137 11988 1 18 . 1 1 32 32 VAL C C 32 175.290 175.290 175.296 -0.006 25137 11989 1 18 . 1 1 32 32 VAL CA C 32 60.802 60.802 60.502 0.300 25137 11990 1 18 . 1 1 32 32 VAL CB C 32 34.991 34.991 34.418 0.573 25137 11991 1 18 . 1 1 32 32 VAL H H 32 8.872 8.872 8.279 0.593 25137 11992 1 18 . 1 1 33 33 VAL N N 33 128.158 128.158 127.795 0.363 25137 11993 1 18 . 1 1 33 33 VAL HA H 33 4.226 4.226 4.351 -0.125 25137 11994 1 18 . 1 1 33 33 VAL C C 33 173.830 173.830 174.451 -0.621 25137 11995 1 18 . 1 1 33 33 VAL CA C 33 60.990 60.990 60.905 0.085 25137 11996 1 18 . 1 1 33 33 VAL CB C 33 33.736 33.736 33.987 -0.251 25137 11997 1 18 . 1 1 33 33 VAL H H 33 9.042 9.042 9.081 -0.039 25137 11998 1 18 . 1 1 34 34 VAL N N 34 126.239 126.239 127.426 -1.187 25137 11999 1 18 . 1 1 34 34 VAL HA H 34 4.751 4.751 4.306 0.445 25137 12000 1 18 . 1 1 34 34 VAL C C 34 175.100 175.100 175.050 0.050 25137 12001 1 18 . 1 1 34 34 VAL CA C 34 61.389 61.389 61.732 -0.343 25137 12002 1 18 . 1 1 34 34 VAL CB C 34 33.193 33.193 32.582 0.611 25137 12003 1 18 . 1 1 34 34 VAL H H 34 8.522 8.522 8.536 -0.014 25137 12004 1 18 . 1 1 35 35 ALA N N 35 129.955 129.955 129.528 0.427 25137 12005 1 18 . 1 1 35 35 ALA HA H 35 4.682 4.682 4.870 -0.188 25137 12006 1 18 . 1 1 35 35 ALA C C 35 174.380 174.380 175.686 -1.306 25137 12007 1 18 . 1 1 35 35 ALA CA C 35 50.154 50.154 50.738 -0.584 25137 12008 1 18 . 1 1 35 35 ALA CB C 35 22.922 22.922 22.790 0.132 25137 12009 1 18 . 1 1 35 35 ALA H H 35 9.388 9.388 8.901 0.487 25137 12010 1 18 . 1 1 36 36 ALA N N 36 121.011 121.011 122.886 -1.875 25137 12011 1 18 . 1 1 36 36 ALA HA H 36 4.632 4.632 4.632 -0.000 25137 12012 1 18 . 1 1 36 36 ALA C C 36 176.490 176.490 176.478 0.012 25137 12013 1 18 . 1 1 36 36 ALA CA C 36 51.778 51.778 52.514 -0.736 25137 12014 1 18 . 1 1 36 36 ALA CB C 36 21.506 21.506 19.579 1.927 25137 12015 1 18 . 1 1 36 36 ALA H H 36 8.539 8.539 8.520 0.019 25137 12016 1 18 . 1 1 37 37 THR N N 37 102.880 102.880 106.453 -3.573 25137 12017 1 18 . 1 1 37 37 THR HA H 37 4.620 4.620 4.610 0.010 25137 12018 1 18 . 1 1 37 37 THR C C 37 174.710 174.710 175.846 -1.136 25137 12019 1 18 . 1 1 37 37 THR CA C 37 57.520 57.520 58.884 -1.364 25137 12020 1 18 . 1 1 37 37 THR CB C 37 72.972 72.972 71.954 1.018 25137 12021 1 18 . 1 1 37 37 THR H H 37 7.019 7.019 7.203 -0.184 25137 12022 1 18 . 1 1 38 38 CYS N N 38 120.553 120.553 119.552 1.001 25137 12023 1 18 . 1 1 38 38 CYS HA H 38 3.677 3.677 4.049 -0.372 25137 12024 1 18 . 1 1 38 38 CYS C C 38 176.020 176.020 177.042 -1.022 25137 12025 1 18 . 1 1 38 38 CYS CA C 38 63.179 63.179 62.163 1.016 25137 12026 1 18 . 1 1 38 38 CYS CB C 38 26.317 26.317 27.330 -1.013 25137 12027 1 18 . 1 1 38 38 CYS H H 38 9.398 9.398 8.992 0.406 25137 12028 1 18 . 1 1 39 39 GLU N N 39 118.521 118.521 121.359 -2.838 25137 12029 1 18 . 1 1 39 39 GLU HA H 39 3.829 3.829 3.897 -0.068 25137 12030 1 18 . 1 1 39 39 GLU C C 39 179.470 179.470 179.044 0.426 25137 12031 1 18 . 1 1 39 39 GLU CA C 39 60.594 60.594 59.967 0.627 25137 12032 1 18 . 1 1 39 39 GLU CB C 39 28.963 28.963 29.213 -0.250 25137 12033 1 18 . 1 1 39 39 GLU H H 39 8.960 8.960 8.512 0.448 25137 12034 1 18 . 1 1 40 40 GLN N N 40 118.602 118.602 118.406 0.196 25137 12035 1 18 . 1 1 40 40 GLN HA H 40 4.021 4.021 3.982 0.039 25137 12036 1 18 . 1 1 40 40 GLN C C 40 176.211 176.211 178.463 -2.252 25137 12037 1 18 . 1 1 40 40 GLN CA C 40 58.306 58.306 58.669 -0.363 25137 12038 1 18 . 1 1 40 40 GLN CB C 40 28.925 28.925 28.552 0.373 25137 12039 1 18 . 1 1 40 40 GLN H H 40 7.855 7.855 7.885 -0.030 25137 12040 1 18 . 1 1 41 41 ALA N N 41 122.395 122.395 122.866 -0.471 25137 12041 1 18 . 1 1 41 41 ALA HA H 41 3.735 3.735 3.991 -0.256 25137 12042 1 18 . 1 1 41 41 ALA C C 41 178.440 178.440 179.489 -1.049 25137 12043 1 18 . 1 1 41 41 ALA CA C 41 55.178 55.178 55.212 -0.033 25137 12044 1 18 . 1 1 41 41 ALA CB C 41 19.872 19.872 18.467 1.405 25137 12045 1 18 . 1 1 41 41 ALA H H 41 8.009 8.009 7.568 0.441 25137 12046 1 18 . 1 1 42 42 LEU N N 42 116.832 116.832 118.446 -1.614 25137 12047 1 18 . 1 1 42 42 LEU HA H 42 3.875 3.875 3.876 -0.001 25137 12048 1 18 . 1 1 42 42 LEU C C 42 180.080 180.080 179.147 0.933 25137 12049 1 18 . 1 1 42 42 LEU CA C 42 58.011 58.011 57.500 0.511 25137 12050 1 18 . 1 1 42 42 LEU CB C 42 40.961 40.961 41.259 -0.298 25137 12051 1 18 . 1 1 42 42 LEU H H 42 8.497 8.497 8.632 -0.135 25137 12052 1 18 . 1 1 43 43 LYS N N 43 121.087 121.087 120.492 0.595 25137 12053 1 18 . 1 1 43 43 LYS HA H 43 4.065 4.065 3.911 0.154 25137 12054 1 18 . 1 1 43 43 LYS C C 43 178.500 178.500 178.781 -0.281 25137 12055 1 18 . 1 1 43 43 LYS CA C 43 59.256 59.256 59.870 -0.614 25137 12056 1 18 . 1 1 43 43 LYS CB C 43 32.295 32.295 32.328 -0.033 25137 12057 1 18 . 1 1 43 43 LYS H H 43 7.593 7.593 8.246 -0.653 25137 12058 1 18 . 1 1 44 44 SER N N 44 115.150 115.150 115.688 -0.538 25137 12059 1 18 . 1 1 44 44 SER HA H 44 4.130 4.130 4.203 -0.073 25137 12060 1 18 . 1 1 44 44 SER C C 44 176.430 176.430 176.691 -0.261 25137 12061 1 18 . 1 1 44 44 SER CA C 44 62.900 62.900 61.547 1.353 25137 12062 1 18 . 1 1 44 44 SER CB C 44 62.900 62.900 62.932 -0.032 25137 12063 1 18 . 1 1 44 44 SER H H 44 8.100 8.100 7.965 0.135 25137 12064 1 18 . 1 1 45 45 LEU N N 45 120.050 120.050 122.011 -1.961 25137 12065 1 18 . 1 1 45 45 LEU HA H 45 4.121 4.121 4.005 0.116 25137 12066 1 18 . 1 1 45 45 LEU C C 45 177.260 177.260 178.263 -1.003 25137 12067 1 18 . 1 1 45 45 LEU CA C 45 56.770 56.770 57.687 -0.917 25137 12068 1 18 . 1 1 45 45 LEU CB C 45 42.389 42.389 41.023 1.366 25137 12069 1 18 . 1 1 45 45 LEU H H 45 8.050 8.050 8.627 -0.577 25137 12070 1 18 . 1 1 46 46 ALA N N 46 119.940 119.940 119.093 0.847 25137 12071 1 18 . 1 1 46 46 ALA HA H 46 4.093 4.093 4.117 -0.024 25137 12072 1 18 . 1 1 46 46 ALA C C 46 179.310 179.310 179.219 0.091 25137 12073 1 18 . 1 1 46 46 ALA CA C 46 54.126 54.126 54.313 -0.187 25137 12074 1 18 . 1 1 46 46 ALA CB C 46 18.412 18.412 18.623 -0.211 25137 12075 1 18 . 1 1 46 46 ALA H H 46 7.360 7.360 7.441 -0.081 25137 12076 1 18 . 1 1 47 47 ASP N N 47 115.277 115.277 118.720 -3.443 25137 12077 1 18 . 1 1 47 47 ASP HA H 47 4.610 4.610 4.591 0.019 25137 12078 1 18 . 1 1 47 47 ASP C C 47 175.930 175.930 176.618 -0.688 25137 12079 1 18 . 1 1 47 47 ASP CA C 47 55.087 55.087 55.776 -0.689 25137 12080 1 18 . 1 1 47 47 ASP CB C 47 42.364 42.364 42.212 0.152 25137 12081 1 18 . 1 1 47 47 ASP H H 47 7.583 7.583 8.156 -0.573 25137 12082 1 18 . 1 1 48 48 ASN N N 48 116.977 116.977 117.775 -0.798 25137 12083 1 18 . 1 1 48 48 ASN HA H 48 5.219 5.219 5.145 0.074 25137 12084 1 18 . 1 1 48 48 ASN CA C 48 51.096 51.096 50.981 0.115 25137 12085 1 18 . 1 1 48 48 ASN CB C 48 42.381 42.381 39.965 2.416 25137 12086 1 18 . 1 1 48 48 ASN H H 48 7.727 7.727 8.412 -0.685 25137 12087 1 18 . 1 1 49 49 PRO HA H 49 4.551 4.551 4.624 -0.073 25137 12088 1 18 . 1 1 49 49 PRO C C 49 174.890 174.890 175.474 -0.584 25137 12089 1 18 . 1 1 49 49 PRO CA C 49 62.093 62.093 62.207 -0.114 25137 12090 1 18 . 1 1 49 49 PRO CB C 49 29.940 29.940 30.960 -1.020 25137 12091 1 18 . 1 1 50 50 ILE N N 50 122.280 122.280 124.198 -1.918 25137 12092 1 18 . 1 1 50 50 ILE HA H 50 3.908 3.908 3.904 0.004 25137 12093 1 18 . 1 1 50 50 ILE C C 50 174.840 174.840 175.812 -0.972 25137 12094 1 18 . 1 1 50 50 ILE CA C 50 58.580 58.580 60.789 -2.209 25137 12095 1 18 . 1 1 50 50 ILE CB C 50 38.850 38.850 36.583 2.267 25137 12096 1 18 . 1 1 50 50 ILE H H 50 7.420 7.420 7.807 -0.387 25137 12097 1 18 . 1 1 51 51 ASP N N 51 123.770 123.770 126.290 -2.520 25137 12098 1 18 . 1 1 51 51 ASP HA H 51 4.749 4.749 4.598 0.151 25137 12099 1 18 . 1 1 51 51 ASP C C 51 175.114 175.114 175.927 -0.813 25137 12100 1 18 . 1 1 51 51 ASP CA C 51 56.930 56.930 56.431 0.499 25137 12101 1 18 . 1 1 51 51 ASP CB C 51 44.360 44.360 42.774 1.586 25137 12102 1 18 . 1 1 51 51 ASP H H 51 9.310 9.310 8.591 0.719 25137 12103 1 18 . 1 1 52 52 VAL N N 52 114.454 114.454 117.332 -2.878 25137 12104 1 18 . 1 1 52 52 VAL HA H 52 4.874 4.874 4.990 -0.116 25137 12105 1 18 . 1 1 52 52 VAL C C 52 171.129 171.129 173.058 -1.929 25137 12106 1 18 . 1 1 52 52 VAL CA C 52 59.850 59.850 60.241 -0.391 25137 12107 1 18 . 1 1 52 52 VAL CB C 52 32.980 32.980 35.773 -2.793 25137 12108 1 18 . 1 1 52 52 VAL H H 52 7.580 7.580 7.562 0.018 25137 12109 1 18 . 1 1 53 53 ALA N N 53 124.620 124.620 126.463 -1.843 25137 12110 1 18 . 1 1 53 53 ALA HA H 53 5.665 5.665 5.387 0.278 25137 12111 1 18 . 1 1 53 53 ALA C C 53 175.100 175.100 175.160 -0.060 25137 12112 1 18 . 1 1 53 53 ALA CA C 53 49.810 49.810 50.079 -0.269 25137 12113 1 18 . 1 1 53 53 ALA CB C 53 25.750 25.750 22.707 3.042 25137 12114 1 18 . 1 1 53 53 ALA H H 53 7.780 7.780 8.448 -0.668 25137 12115 1 18 . 1 1 54 54 VAL N N 54 118.950 118.950 115.956 2.994 25137 12116 1 18 . 1 1 54 54 VAL HA H 54 4.647 4.647 5.258 -0.612 25137 12117 1 18 . 1 1 54 54 VAL C C 54 174.020 174.020 174.373 -0.353 25137 12118 1 18 . 1 1 54 54 VAL CA C 54 61.580 61.580 60.784 0.796 25137 12119 1 18 . 1 1 54 54 VAL CB C 54 34.320 34.320 33.813 0.507 25137 12120 1 18 . 1 1 54 54 VAL H H 54 8.730 8.730 8.907 -0.177 25137 12121 1 18 . 1 1 55 55 LEU N N 55 124.820 124.820 128.232 -3.412 25137 12122 1 18 . 1 1 55 55 LEU HA H 55 4.953 4.953 4.665 0.288 25137 12123 1 18 . 1 1 55 55 LEU C C 55 176.110 176.110 175.406 0.704 25137 12124 1 18 . 1 1 55 55 LEU CA C 55 53.540 53.540 54.092 -0.552 25137 12125 1 18 . 1 1 55 55 LEU CB C 55 42.690 42.690 44.210 -1.520 25137 12126 1 18 . 1 1 55 55 LEU H H 55 9.240 9.240 9.224 0.016 25137 12127 1 18 . 1 1 56 56 ASP N N 56 124.220 124.220 124.901 -0.681 25137 12128 1 18 . 1 1 56 56 ASP HA H 56 5.629 5.629 4.830 0.799 25137 12129 1 18 . 1 1 56 56 ASP C C 56 174.460 174.460 177.671 -3.211 25137 12130 1 18 . 1 1 56 56 ASP CA C 56 52.930 52.930 52.692 0.238 25137 12131 1 18 . 1 1 56 56 ASP CB C 56 43.400 43.400 41.072 2.328 25137 12132 1 18 . 1 1 56 56 ASP H H 56 8.360 8.360 8.651 -0.291 25137 12133 1 18 . 1 1 57 57 VAL N N 57 119.581 119.581 126.276 -6.695 25137 12134 1 18 . 1 1 57 57 VAL HA H 57 4.239 4.239 3.699 0.540 25137 12135 1 18 . 1 1 57 57 VAL C C 57 175.480 175.480 175.857 -0.377 25137 12136 1 18 . 1 1 57 57 VAL CA C 57 64.564 64.564 64.528 0.036 25137 12137 1 18 . 1 1 57 57 VAL CB C 57 32.520 32.520 31.583 0.937 25137 12138 1 18 . 1 1 57 57 VAL H H 57 7.022 7.022 8.315 -1.292 25137 12139 1 18 . 1 1 58 58 ASN N N 58 114.490 114.490 116.540 -2.050 25137 12140 1 18 . 1 1 58 58 ASN HA H 58 4.693 4.693 4.786 -0.093 25137 12141 1 18 . 1 1 58 58 ASN C C 58 173.400 173.400 175.314 -1.914 25137 12142 1 18 . 1 1 58 58 ASN CA C 58 53.570 53.570 51.815 1.755 25137 12143 1 18 . 1 1 58 58 ASN CB C 58 38.820 38.820 38.686 0.134 25137 12144 1 18 . 1 1 58 58 ASN H H 58 8.600 8.600 8.313 0.287 25137 12145 1 18 . 1 1 59 59 LEU N N 59 130.670 130.670 120.399 10.271 25137 12146 1 18 . 1 1 59 59 LEU HA H 59 4.647 4.647 4.158 0.489 25137 12147 1 18 . 1 1 59 59 LEU C C 59 175.340 175.340 177.612 -2.272 25137 12148 1 18 . 1 1 59 59 LEU CA C 59 53.550 53.550 56.330 -2.780 25137 12149 1 18 . 1 1 59 59 LEU CB C 59 41.430 41.430 42.294 -0.864 25137 12150 1 18 . 1 1 59 59 LEU H H 59 8.260 8.260 8.074 0.186 25137 12151 1 18 . 1 1 60 60 GLY N N 60 109.030 109.030 103.657 5.373 25137 12152 1 18 . 1 1 60 60 GLY CA C 60 44.610 44.610 45.296 -0.686 25137 12153 1 18 . 1 1 60 60 GLY H H 60 7.860 7.860 7.713 0.147 25137 12154 1 18 . 1 1 61 61 PRO HA H 61 4.385 4.385 4.264 0.120 25137 12155 1 18 . 1 1 61 61 PRO C C 61 177.960 177.960 178.148 -0.188 25137 12156 1 18 . 1 1 61 61 PRO CA C 61 64.888 64.888 65.596 -0.708 25137 12157 1 18 . 1 1 61 61 PRO CB C 61 32.070 32.070 32.430 -0.360 25137 12158 1 18 . 1 1 62 62 LYS N N 62 115.984 115.984 113.354 2.630 25137 12159 1 18 . 1 1 62 62 LYS HA H 62 4.524 4.524 4.520 0.004 25137 12160 1 18 . 1 1 62 62 LYS C C 62 175.810 175.810 175.297 0.513 25137 12161 1 18 . 1 1 62 62 LYS CA C 62 55.444 55.444 55.973 -0.529 25137 12162 1 18 . 1 1 62 62 LYS CB C 62 33.216 33.216 33.521 -0.305 25137 12163 1 18 . 1 1 62 62 LYS H H 62 8.625 8.625 8.011 0.614 25137 12164 1 18 . 1 1 63 63 SER N N 63 113.432 113.432 117.219 -3.787 25137 12165 1 18 . 1 1 63 63 SER HA H 63 4.609 4.609 4.293 0.316 25137 12166 1 18 . 1 1 63 63 SER C C 63 172.560 172.560 173.299 -0.739 25137 12167 1 18 . 1 1 63 63 SER CA C 63 57.715 57.715 59.692 -1.977 25137 12168 1 18 . 1 1 63 63 SER CB C 63 64.866 64.866 63.207 1.659 25137 12169 1 18 . 1 1 63 63 SER H H 63 7.389 7.389 7.895 -0.506 25137 12170 1 18 . 1 1 64 64 HIS N N 64 122.580 122.580 118.324 4.256 25137 12171 1 18 . 1 1 64 64 HIS HA H 64 5.833 5.833 4.873 0.960 25137 12172 1 18 . 1 1 64 64 HIS C C 64 176.210 176.210 175.116 1.094 25137 12173 1 18 . 1 1 64 64 HIS CA C 64 54.006 54.006 54.496 -0.490 25137 12174 1 18 . 1 1 64 64 HIS CB C 64 34.092 34.092 32.831 1.261 25137 12175 1 18 . 1 1 64 64 HIS H H 64 7.762 7.762 7.721 0.041 25137 12176 1 18 . 1 1 65 65 CYS N N 65 111.478 111.478 122.942 -11.464 25137 12177 1 18 . 1 1 65 65 CYS HA H 65 4.342 4.342 4.417 -0.075 25137 12178 1 18 . 1 1 65 65 CYS C C 65 175.881 175.881 175.474 0.407 25137 12179 1 18 . 1 1 65 65 CYS CA C 65 57.980 57.980 60.029 -2.049 25137 12180 1 18 . 1 1 65 65 CYS CB C 65 29.790 29.790 26.512 3.279 25137 12181 1 18 . 1 1 65 65 CYS H H 65 7.946 7.946 8.164 -0.218 25137 12182 1 18 . 1 1 66 66 GLY N N 66 120.340 120.340 112.677 7.663 25137 12183 1 18 . 1 1 66 66 GLY CA C 66 48.880 48.880 46.117 2.763 25137 12184 1 18 . 1 1 66 66 GLY H H 66 11.290 11.290 8.240 3.050 25137 12185 1 18 . 1 1 67 67 PRO HA H 67 4.386 4.386 4.266 0.120 25137 12186 1 18 . 1 1 67 67 PRO C C 67 179.860 179.860 178.536 1.324 25137 12187 1 18 . 1 1 67 67 PRO CA C 67 65.388 65.388 65.384 0.004 25137 12188 1 18 . 1 1 67 67 PRO CB C 67 32.970 32.970 31.288 1.682 25137 12189 1 18 . 1 1 68 68 VAL N N 68 116.564 116.564 117.064 -0.500 25137 12190 1 18 . 1 1 68 68 VAL HA H 68 3.494 3.494 3.572 -0.078 25137 12191 1 18 . 1 1 68 68 VAL C C 68 176.350 176.350 177.575 -1.225 25137 12192 1 18 . 1 1 68 68 VAL CA C 68 64.839 64.839 66.598 -1.759 25137 12193 1 18 . 1 1 68 68 VAL CB C 68 31.396 31.396 31.125 0.272 25137 12194 1 18 . 1 1 68 68 VAL H H 68 7.471 7.471 8.080 -0.609 25137 12195 1 18 . 1 1 69 69 ALA N N 69 122.825 122.825 122.637 0.188 25137 12196 1 18 . 1 1 69 69 ALA HA H 69 3.085 3.085 3.357 -0.272 25137 12197 1 18 . 1 1 69 69 ALA C C 69 179.280 179.280 179.090 0.190 25137 12198 1 18 . 1 1 69 69 ALA CA C 69 55.209 55.209 55.269 -0.060 25137 12199 1 18 . 1 1 69 69 ALA CB C 69 18.141 18.141 18.062 0.079 25137 12200 1 18 . 1 1 69 69 ALA H H 69 7.880 7.880 7.432 0.448 25137 12201 1 18 . 1 1 70 70 ASP N N 70 116.269 116.269 118.819 -2.550 25137 12202 1 18 . 1 1 70 70 ASP HA H 70 4.314 4.314 4.278 0.036 25137 12203 1 18 . 1 1 70 70 ASP C C 70 178.300 178.300 178.087 0.213 25137 12204 1 18 . 1 1 70 70 ASP CA C 70 57.530 57.530 57.470 0.060 25137 12205 1 18 . 1 1 70 70 ASP CB C 70 40.582 40.582 40.771 -0.189 25137 12206 1 18 . 1 1 70 70 ASP H H 70 8.316 8.316 8.207 0.109 25137 12207 1 18 . 1 1 71 71 ALA N N 71 122.771 122.771 122.229 0.542 25137 12208 1 18 . 1 1 71 71 ALA HA H 71 4.045 4.045 4.040 0.005 25137 12209 1 18 . 1 1 71 71 ALA C C 71 180.700 180.700 179.894 0.806 25137 12210 1 18 . 1 1 71 71 ALA CA C 71 55.062 55.062 54.979 0.083 25137 12211 1 18 . 1 1 71 71 ALA CB C 71 18.675 18.675 18.343 0.332 25137 12212 1 18 . 1 1 71 71 ALA H H 71 7.156 7.156 7.829 -0.673 25137 12213 1 18 . 1 1 72 72 LEU N N 72 119.021 119.021 118.238 0.783 25137 12214 1 18 . 1 1 72 72 LEU HA H 72 3.824 3.824 3.779 0.045 25137 12215 1 18 . 1 1 72 72 LEU C C 72 179.560 179.560 179.253 0.307 25137 12216 1 18 . 1 1 72 72 LEU CA C 72 58.351 58.351 57.575 0.776 25137 12217 1 18 . 1 1 72 72 LEU CB C 72 40.437 40.437 41.258 -0.821 25137 12218 1 18 . 1 1 72 72 LEU H H 72 8.250 8.250 8.193 0.057 25137 12219 1 18 . 1 1 73 73 LYS N N 73 120.087 120.087 118.806 1.281 25137 12220 1 18 . 1 1 73 73 LYS HA H 73 4.431 4.431 4.154 0.277 25137 12221 1 18 . 1 1 73 73 LYS C C 73 181.310 181.310 179.922 1.388 25137 12222 1 18 . 1 1 73 73 LYS CA C 73 59.307 59.307 59.002 0.305 25137 12223 1 18 . 1 1 73 73 LYS CB C 73 32.404 32.404 31.645 0.759 25137 12224 1 18 . 1 1 73 73 LYS H H 73 8.383 8.383 8.515 -0.132 25137 12225 1 18 . 1 1 74 74 GLN N N 74 118.982 118.982 119.026 -0.044 25137 12226 1 18 . 1 1 74 74 GLN HA H 74 4.074 4.074 4.141 -0.067 25137 12227 1 18 . 1 1 74 74 GLN C C 74 177.620 177.620 177.301 0.319 25137 12228 1 18 . 1 1 74 74 GLN CA C 74 58.834 58.834 58.409 0.425 25137 12229 1 18 . 1 1 74 74 GLN CB C 74 28.505 28.505 28.510 -0.005 25137 12230 1 18 . 1 1 74 74 GLN H H 74 8.015 8.015 8.328 -0.313 25137 12231 1 18 . 1 1 75 75 ARG N N 75 116.770 116.770 117.636 -0.866 25137 12232 1 18 . 1 1 75 75 ARG HA H 75 4.272 4.272 4.384 -0.112 25137 12233 1 18 . 1 1 75 75 ARG C C 75 174.310 174.310 174.945 -0.635 25137 12234 1 18 . 1 1 75 75 ARG CA C 75 55.950 55.950 55.255 0.695 25137 12235 1 18 . 1 1 75 75 ARG CB C 75 31.780 31.780 30.246 1.534 25137 12236 1 18 . 1 1 75 75 ARG H H 75 7.240 7.240 7.667 -0.427 25137 12237 1 18 . 1 1 76 76 ALA N N 76 122.020 122.020 120.688 1.332 25137 12238 1 18 . 1 1 76 76 ALA HA H 76 4.050 4.050 4.079 -0.029 25137 12239 1 18 . 1 1 76 76 ALA C C 76 176.240 176.240 177.417 -1.177 25137 12240 1 18 . 1 1 76 76 ALA CA C 76 53.170 53.170 52.896 0.274 25137 12241 1 18 . 1 1 76 76 ALA CB C 76 16.650 16.650 17.242 -0.592 25137 12242 1 18 . 1 1 76 76 ALA H H 76 8.065 8.065 7.444 0.621 25137 12243 1 18 . 1 1 77 77 ILE N N 77 122.300 122.300 120.154 2.146 25137 12244 1 18 . 1 1 77 77 ILE HA H 77 4.502 4.502 4.235 0.267 25137 12245 1 18 . 1 1 77 77 ILE CA C 77 58.610 58.610 59.129 -0.519 25137 12246 1 18 . 1 1 77 77 ILE CB C 77 40.000 40.000 38.901 1.099 25137 12247 1 18 . 1 1 77 77 ILE H H 77 8.080 8.080 8.125 -0.045 25137 12248 1 18 . 1 1 78 78 PRO HA H 78 4.454 4.454 4.597 -0.143 25137 12249 1 18 . 1 1 78 78 PRO C C 78 174.680 174.680 175.434 -0.754 25137 12250 1 18 . 1 1 78 78 PRO CA C 78 62.622 62.622 62.769 -0.147 25137 12251 1 18 . 1 1 78 78 PRO CB C 78 32.772 32.772 32.335 0.437 25137 12252 1 18 . 1 1 79 79 PHE N N 79 109.800 109.800 116.367 -6.567 25137 12253 1 18 . 1 1 79 79 PHE HA H 79 5.656 5.656 5.411 0.245 25137 12254 1 18 . 1 1 79 79 PHE C C 79 172.780 172.780 173.539 -0.759 25137 12255 1 18 . 1 1 79 79 PHE CA C 79 55.612 55.612 55.861 -0.249 25137 12256 1 18 . 1 1 79 79 PHE CB C 79 42.181 42.181 42.040 0.141 25137 12257 1 18 . 1 1 79 79 PHE H H 79 7.463 7.463 7.978 -0.515 25137 12258 1 18 . 1 1 80 80 ILE N N 80 114.746 114.746 120.603 -5.857 25137 12259 1 18 . 1 1 80 80 ILE HA H 80 4.545 4.545 4.640 -0.095 25137 12260 1 18 . 1 1 80 80 ILE C C 80 174.750 174.750 175.336 -0.586 25137 12261 1 18 . 1 1 80 80 ILE CA C 80 58.914 58.914 59.640 -0.726 25137 12262 1 18 . 1 1 80 80 ILE CB C 80 43.079 43.079 41.826 1.253 25137 12263 1 18 . 1 1 80 80 ILE H H 80 8.024 8.024 8.744 -0.720 25137 12264 1 18 . 1 1 81 81 LEU N N 81 124.450 124.450 127.094 -2.644 25137 12265 1 18 . 1 1 81 81 LEU HA H 81 5.470 5.470 5.029 0.441 25137 12266 1 18 . 1 1 81 81 LEU C C 81 175.620 175.620 176.169 -0.549 25137 12267 1 18 . 1 1 81 81 LEU CA C 81 53.345 53.345 53.377 -0.032 25137 12268 1 18 . 1 1 81 81 LEU CB C 81 43.304 43.304 40.041 3.263 25137 12269 1 18 . 1 1 81 81 LEU H H 81 8.935 8.935 9.018 -0.083 25137 12270 1 18 . 1 1 82 82 HIS N N 82 126.167 126.167 126.294 -0.127 25137 12271 1 18 . 1 1 82 82 HIS HA H 82 5.880 5.880 5.503 0.377 25137 12272 1 18 . 1 1 82 82 HIS C C 82 172.730 172.730 174.664 -1.934 25137 12273 1 18 . 1 1 82 82 HIS CA C 82 52.947 52.947 53.765 -0.818 25137 12274 1 18 . 1 1 82 82 HIS CB C 82 31.171 31.171 30.056 1.115 25137 12275 1 18 . 1 1 82 82 HIS H H 82 8.828 8.828 8.725 0.103 25137 12276 1 18 . 1 1 83 83 THR N N 83 114.001 114.001 119.247 -5.246 25137 12277 1 18 . 1 1 83 83 THR HA H 83 5.305 5.305 4.864 0.441 25137 12278 1 18 . 1 1 83 83 THR C C 83 172.800 172.800 173.550 -0.750 25137 12279 1 18 . 1 1 83 83 THR CA C 83 58.807 58.807 59.908 -1.101 25137 12280 1 18 . 1 1 83 83 THR CB C 83 69.366 69.366 70.469 -1.103 25137 12281 1 18 . 1 1 83 83 THR H H 83 7.252 7.252 7.813 -0.561 25137 12282 1 18 . 1 1 84 84 GLY N N 84 115.666 115.666 111.031 4.635 25137 12283 1 18 . 1 1 84 84 GLY C C 84 173.764 173.764 173.455 0.309 25137 12284 1 18 . 1 1 84 84 GLY CA C 84 45.284 45.284 45.014 0.270 25137 12285 1 18 . 1 1 84 84 GLY H H 84 8.483 8.483 8.961 -0.478 25137 12286 1 18 . 1 1 85 85 ASP N N 85 123.490 123.490 120.989 2.501 25137 12287 1 18 . 1 1 85 85 ASP HA H 85 4.982 4.982 4.881 0.101 25137 12288 1 18 . 1 1 85 85 ASP C C 85 175.829 175.829 176.288 -0.459 25137 12289 1 18 . 1 1 85 85 ASP CA C 85 53.420 53.420 54.032 -0.612 25137 12290 1 18 . 1 1 85 85 ASP CB C 85 41.560 41.560 41.786 -0.226 25137 12291 1 18 . 1 1 85 85 ASP H H 85 8.510 8.510 7.714 0.796 25137 12292 1 18 . 1 1 86 86 LEU N N 86 122.010 122.010 123.226 -1.216 25137 12293 1 18 . 1 1 86 86 LEU HA H 86 3.997 3.997 4.369 -0.372 25137 12294 1 18 . 1 1 86 86 LEU C C 86 178.242 178.242 177.666 0.576 25137 12295 1 18 . 1 1 86 86 LEU CA C 86 57.410 57.410 56.570 0.840 25137 12296 1 18 . 1 1 86 86 LEU CB C 86 42.000 42.000 42.356 -0.356 25137 12297 1 18 . 1 1 86 86 LEU H H 86 8.210 8.210 8.143 0.067 25137 12298 1 18 . 1 1 87 87 ASP N N 87 117.260 117.260 119.489 -2.229 25137 12299 1 18 . 1 1 87 87 ASP HA H 87 4.535 4.535 4.505 0.030 25137 12300 1 18 . 1 1 87 87 ASP C C 87 178.351 178.351 179.314 -0.963 25137 12301 1 18 . 1 1 87 87 ASP CA C 87 56.010 56.010 57.206 -1.196 25137 12302 1 18 . 1 1 87 87 ASP CB C 87 41.400 41.400 40.882 0.518 25137 12303 1 18 . 1 1 87 87 ASP H H 87 8.290 8.290 8.287 0.003 25137 12304 1 18 . 1 1 88 88 ARG N N 88 120.750 120.750 118.656 2.094 25137 12305 1 18 . 1 1 88 88 ARG HA H 88 4.015 4.015 4.158 -0.143 25137 12306 1 18 . 1 1 88 88 ARG C C 88 177.300 177.300 177.756 -0.456 25137 12307 1 18 . 1 1 88 88 ARG CA C 88 58.340 58.340 58.146 0.194 25137 12308 1 18 . 1 1 88 88 ARG CB C 88 30.460 30.460 29.958 0.502 25137 12309 1 18 . 1 1 88 88 ARG H H 88 8.040 8.040 8.333 -0.293 25137 12310 1 18 . 1 1 89 89 HIS N N 89 115.580 115.580 116.909 -1.329 25137 12311 1 18 . 1 1 89 89 HIS HA H 89 5.026 5.026 4.719 0.307 25137 12312 1 18 . 1 1 89 89 HIS C C 89 175.670 175.670 176.626 -0.956 25137 12313 1 18 . 1 1 89 89 HIS CA C 89 55.300 55.300 56.123 -0.824 25137 12314 1 18 . 1 1 89 89 HIS CB C 89 29.890 29.890 29.658 0.232 25137 12315 1 18 . 1 1 89 89 HIS H H 89 7.900 7.900 7.725 0.175 25137 12316 1 18 . 1 1 90 90 GLY N N 90 108.320 108.320 108.750 -0.430 25137 12317 1 18 . 1 1 90 90 GLY C C 90 175.880 175.880 175.235 0.645 25137 12318 1 18 . 1 1 90 90 GLY CA C 90 48.310 48.310 47.172 1.138 25137 12319 1 18 . 1 1 90 90 GLY H H 90 7.790 7.790 7.694 0.096 25137 12320 1 18 . 1 1 91 91 GLU N N 91 120.490 120.490 121.041 -0.551 25137 12321 1 18 . 1 1 91 91 GLU HA H 91 4.043 4.043 4.066 -0.023 25137 12322 1 18 . 1 1 91 91 GLU C C 91 178.410 178.410 178.475 -0.065 25137 12323 1 18 . 1 1 91 91 GLU CA C 91 59.200 59.200 58.662 0.538 25137 12324 1 18 . 1 1 91 91 GLU CB C 91 29.240 29.240 29.574 -0.334 25137 12325 1 18 . 1 1 91 91 GLU H H 91 8.580 8.580 8.325 0.255 25137 12326 1 18 . 1 1 92 92 LEU N N 92 121.740 121.740 121.041 0.699 25137 12327 1 18 . 1 1 92 92 LEU HA H 92 4.048 4.048 4.108 -0.060 25137 12328 1 18 . 1 1 92 92 LEU C C 92 178.630 178.630 178.571 0.059 25137 12329 1 18 . 1 1 92 92 LEU CA C 92 57.690 57.690 58.014 -0.324 25137 12330 1 18 . 1 1 92 92 LEU CB C 92 41.820 41.820 41.920 -0.100 25137 12331 1 18 . 1 1 92 92 LEU H H 92 7.690 7.690 7.866 -0.176 25137 12332 1 18 . 1 1 93 93 LEU N N 93 117.310 117.310 116.585 0.725 25137 12333 1 18 . 1 1 93 93 LEU HA H 93 3.881 3.881 4.086 -0.205 25137 12334 1 18 . 1 1 93 93 LEU C C 93 174.967 174.967 178.961 -3.994 25137 12335 1 18 . 1 1 93 93 LEU CA C 93 57.940 57.940 57.872 0.068 25137 12336 1 18 . 1 1 93 93 LEU CB C 93 40.640 40.640 39.901 0.739 25137 12337 1 18 . 1 1 93 93 LEU H H 93 8.160 8.160 7.706 0.454 25137 12338 1 18 . 1 1 94 94 ARG N N 94 117.940 117.940 120.618 -2.678 25137 12339 1 18 . 1 1 94 94 ARG HA H 94 4.120 4.120 4.135 -0.015 25137 12340 1 18 . 1 1 94 94 ARG C C 94 177.870 177.870 178.617 -0.747 25137 12341 1 18 . 1 1 94 94 ARG CA C 94 58.450 58.450 58.158 0.292 25137 12342 1 18 . 1 1 94 94 ARG CB C 94 30.370 30.370 29.553 0.817 25137 12343 1 18 . 1 1 94 94 ARG H H 94 7.770 7.770 8.020 -0.250 25137 12344 1 18 . 1 1 95 95 LYS N N 95 118.380 118.380 117.793 0.587 25137 12345 1 18 . 1 1 95 95 LYS HA H 95 4.160 4.160 4.111 0.049 25137 12346 1 18 . 1 1 95 95 LYS C C 95 177.730 177.730 178.456 -0.726 25137 12347 1 18 . 1 1 95 95 LYS CA C 95 57.600 57.600 58.798 -1.198 25137 12348 1 18 . 1 1 95 95 LYS CB C 95 32.770 32.770 32.697 0.074 25137 12349 1 18 . 1 1 95 95 LYS H H 95 7.640 7.640 7.544 0.096 25137 12350 1 18 . 1 1 96 96 ILE N N 96 120.160 120.160 117.119 3.041 25137 12351 1 18 . 1 1 96 96 ILE HA H 96 3.781 3.781 3.886 -0.105 25137 12352 1 18 . 1 1 96 96 ILE C C 96 175.840 175.840 175.477 0.363 25137 12353 1 18 . 1 1 96 96 ILE CA C 96 63.720 63.720 63.919 -0.199 25137 12354 1 18 . 1 1 96 96 ILE CB C 96 38.670 38.670 38.647 0.023 25137 12355 1 18 . 1 1 96 96 ILE H H 96 7.980 7.980 7.896 0.084 25137 12356 1 18 . 1 1 97 97 ASP N N 97 120.510 120.510 119.184 1.326 25137 12357 1 18 . 1 1 97 97 ASP HA H 97 4.380 4.380 4.198 0.182 25137 12358 1 18 . 1 1 97 97 ASP C C 97 173.580 173.580 173.918 -0.338 25137 12359 1 18 . 1 1 97 97 ASP CA C 97 54.300 54.300 55.131 -0.831 25137 12360 1 18 . 1 1 97 97 ASP CB C 97 39.490 39.490 39.934 -0.444 25137 12361 1 18 . 1 1 97 97 ASP H H 97 8.160 8.160 8.120 0.040 25137 12362 1 18 . 1 1 98 98 ALA N N 98 123.800 123.800 123.111 0.689 25137 12363 1 18 . 1 1 98 98 ALA HA H 98 4.550 4.550 4.543 0.007 25137 12364 1 18 . 1 1 98 98 ALA CA C 98 49.860 49.860 50.647 -0.787 25137 12365 1 18 . 1 1 98 98 ALA CB C 98 21.070 21.070 20.186 0.884 25137 12366 1 18 . 1 1 98 98 ALA H H 98 7.680 7.680 7.805 -0.125 25137 12367 1 18 . 1 1 99 99 PRO HA H 99 4.370 4.370 4.492 -0.122 25137 12368 1 18 . 1 1 99 99 PRO C C 99 174.760 174.760 175.419 -0.659 25137 12369 1 18 . 1 1 99 99 PRO CA C 99 62.950 62.950 63.203 -0.253 25137 12370 1 18 . 1 1 99 99 PRO CB C 99 32.310 32.310 31.960 0.350 25137 12371 1 18 . 1 1 100 100 VAL N N 100 120.490 120.490 122.068 -1.578 25137 12372 1 18 . 1 1 100 100 VAL HA H 100 4.832 4.832 4.658 0.174 25137 12373 1 18 . 1 1 100 100 VAL C C 100 176.650 176.650 175.447 1.203 25137 12374 1 18 . 1 1 100 100 VAL CA C 100 60.450 60.450 61.853 -1.403 25137 12375 1 18 . 1 1 100 100 VAL CB C 100 34.830 34.830 34.587 0.243 25137 12376 1 18 . 1 1 100 100 VAL H H 100 8.270 8.270 8.255 0.015 25137 12377 1 18 . 1 1 101 101 MET N N 101 127.420 127.420 126.684 0.736 25137 12378 1 18 . 1 1 101 101 MET HA H 101 4.705 4.705 4.751 -0.046 25137 12379 1 18 . 1 1 101 101 MET C C 101 174.490 174.490 175.019 -0.529 25137 12380 1 18 . 1 1 101 101 MET CA C 101 54.730 54.730 53.327 1.403 25137 12381 1 18 . 1 1 101 101 MET CB C 101 34.560 34.560 33.291 1.269 25137 12382 1 18 . 1 1 101 101 MET H H 101 9.240 9.240 9.218 0.022 25137 12383 1 18 . 1 1 102 102 ALA N N 102 128.590 128.590 128.676 -0.086 25137 12384 1 18 . 1 1 102 102 ALA HA H 102 4.608 4.608 4.970 -0.362 25137 12385 1 18 . 1 1 102 102 ALA C C 102 177.935 177.935 177.460 0.475 25137 12386 1 18 . 1 1 102 102 ALA CA C 102 51.930 51.930 51.702 0.228 25137 12387 1 18 . 1 1 102 102 ALA CB C 102 19.040 19.040 19.934 -0.894 25137 12388 1 18 . 1 1 102 102 ALA H H 102 8.760 8.760 8.551 0.209 25137 12389 1 18 . 1 1 103 103 LYS N N 103 120.200 120.200 123.597 -3.397 25137 12390 1 18 . 1 1 103 103 LYS HA H 103 4.284 4.284 4.927 -0.643 25137 12391 1 18 . 1 1 103 103 LYS CA C 103 54.370 54.370 54.421 -0.051 25137 12392 1 18 . 1 1 103 103 LYS CB C 103 34.190 34.190 32.399 1.791 25137 12393 1 18 . 1 1 103 103 LYS H H 103 7.300 7.300 8.176 -0.876 25137 12394 1 18 . 1 1 104 104 PRO HA H 104 4.611 4.611 4.531 0.080 25137 12395 1 18 . 1 1 104 104 PRO C C 104 174.980 174.980 175.820 -0.840 25137 12396 1 18 . 1 1 104 104 PRO CA C 104 62.626 62.626 62.573 0.053 25137 12397 1 18 . 1 1 104 104 PRO CB C 104 33.867 33.867 32.434 1.433 25137 12398 1 18 . 1 1 105 105 ALA N N 105 125.082 125.082 124.162 0.920 25137 12399 1 18 . 1 1 105 105 ALA HA H 105 4.576 4.576 4.553 0.023 25137 12400 1 18 . 1 1 105 105 ALA C C 105 176.890 176.890 175.876 1.014 25137 12401 1 18 . 1 1 105 105 ALA CA C 105 51.177 51.177 51.327 -0.150 25137 12402 1 18 . 1 1 105 105 ALA CB C 105 21.735 21.735 21.346 0.389 25137 12403 1 18 . 1 1 105 105 ALA H H 105 8.668 8.668 8.035 0.633 25137 12404 1 18 . 1 1 106 106 ASP N N 106 122.306 122.306 122.777 -0.471 25137 12405 1 18 . 1 1 106 106 ASP HA H 106 4.636 4.636 4.627 0.009 25137 12406 1 18 . 1 1 106 106 ASP C C 106 178.383 178.383 177.709 0.674 25137 12407 1 18 . 1 1 106 106 ASP CA C 106 54.312 54.312 54.087 0.225 25137 12408 1 18 . 1 1 106 106 ASP CB C 106 41.260 41.260 41.769 -0.509 25137 12409 1 18 . 1 1 106 106 ASP H H 106 8.867 8.867 8.230 0.637 25137 12410 1 18 . 1 1 107 107 THR N N 107 119.540 119.540 118.628 0.912 25137 12411 1 18 . 1 1 107 107 THR HA H 107 3.573 3.573 4.028 -0.455 25137 12412 1 18 . 1 1 107 107 THR C C 107 176.393 176.393 176.214 0.179 25137 12413 1 18 . 1 1 107 107 THR CA C 107 65.940 65.940 65.254 0.686 25137 12414 1 18 . 1 1 107 107 THR CB C 107 68.191 68.191 68.687 -0.496 25137 12415 1 18 . 1 1 107 107 THR H H 107 8.658 8.658 8.525 0.133 25137 12416 1 18 . 1 1 108 108 SER N N 108 117.095 117.095 117.907 -0.812 25137 12417 1 18 . 1 1 108 108 SER HA H 108 4.140 4.140 4.092 0.048 25137 12418 1 18 . 1 1 108 108 SER C C 108 176.143 176.143 176.041 0.102 25137 12419 1 18 . 1 1 108 108 SER CA C 108 61.650 61.650 61.956 -0.306 25137 12420 1 18 . 1 1 108 108 SER CB C 108 62.450 62.450 63.044 -0.594 25137 12421 1 18 . 1 1 108 108 SER H H 108 8.480 8.480 8.172 0.308 25137 12422 1 18 . 1 1 109 109 ASP N N 109 122.520 122.520 122.625 -0.105 25137 12423 1 18 . 1 1 109 109 ASP HA H 109 4.400 4.400 4.349 0.051 25137 12424 1 18 . 1 1 109 109 ASP C C 109 178.499 178.499 178.417 0.082 25137 12425 1 18 . 1 1 109 109 ASP CA C 109 56.990 56.990 58.143 -1.153 25137 12426 1 18 . 1 1 109 109 ASP CB C 109 40.560 40.560 40.688 -0.128 25137 12427 1 18 . 1 1 109 109 ASP H H 109 7.350 7.350 7.715 -0.365 25137 12428 1 18 . 1 1 110 110 VAL N N 110 120.210 120.210 119.143 1.067 25137 12429 1 18 . 1 1 110 110 VAL HA H 110 3.262 3.262 3.540 -0.278 25137 12430 1 18 . 1 1 110 110 VAL C C 110 176.535 176.535 177.928 -1.393 25137 12431 1 18 . 1 1 110 110 VAL CA C 110 66.090 66.090 66.027 0.063 25137 12432 1 18 . 1 1 110 110 VAL CB C 110 31.400 31.400 30.767 0.633 25137 12433 1 18 . 1 1 110 110 VAL H H 110 7.440 7.440 7.786 -0.346 25137 12434 1 18 . 1 1 111 111 ALA N N 111 118.790 118.790 121.825 -3.035 25137 12435 1 18 . 1 1 111 111 ALA HA H 111 3.264 3.264 2.627 0.637 25137 12436 1 18 . 1 1 111 111 ALA C C 111 179.030 179.030 179.255 -0.225 25137 12437 1 18 . 1 1 111 111 ALA CA C 111 54.590 54.590 54.675 -0.085 25137 12438 1 18 . 1 1 111 111 ALA CB C 111 16.480 16.480 17.505 -1.025 25137 12439 1 18 . 1 1 111 111 ALA H H 111 7.610 7.610 7.753 -0.143 25137 12440 1 18 . 1 1 112 112 LYS N N 112 115.540 115.540 118.302 -2.762 25137 12441 1 18 . 1 1 112 112 LYS HA H 112 3.750 3.750 3.856 -0.106 25137 12442 1 18 . 1 1 112 112 LYS C C 112 179.470 179.470 179.288 0.182 25137 12443 1 18 . 1 1 112 112 LYS CA C 112 60.020 60.020 59.751 0.269 25137 12444 1 18 . 1 1 112 112 LYS CB C 112 32.680 32.680 32.289 0.391 25137 12445 1 18 . 1 1 112 112 LYS H H 112 7.840 7.840 7.843 -0.003 25137 12446 1 18 . 1 1 113 113 ARG N N 113 118.590 118.590 117.792 0.798 25137 12447 1 18 . 1 1 113 113 ARG HA H 113 4.021 4.021 4.087 -0.066 25137 12448 1 18 . 1 1 113 113 ARG C C 113 179.120 179.120 178.681 0.439 25137 12449 1 18 . 1 1 113 113 ARG CA C 113 58.180 58.180 58.101 0.079 25137 12450 1 18 . 1 1 113 113 ARG CB C 113 29.530 29.530 29.395 0.135 25137 12451 1 18 . 1 1 113 113 ARG H H 113 7.860 7.860 8.057 -0.197 25137 12452 1 18 . 1 1 114 114 ALA N N 114 120.520 120.520 122.115 -1.595 25137 12453 1 18 . 1 1 114 114 ALA HA H 114 4.046 4.046 4.227 -0.181 25137 12454 1 18 . 1 1 114 114 ALA C C 114 179.280 179.280 180.062 -0.782 25137 12455 1 18 . 1 1 114 114 ALA CA C 114 55.070 55.070 54.795 0.275 25137 12456 1 18 . 1 1 114 114 ALA CB C 114 17.920 17.920 18.729 -0.809 25137 12457 1 18 . 1 1 114 114 ALA H H 114 8.190 8.190 7.583 0.607 25137 12458 1 18 . 1 1 115 115 LEU N N 115 115.820 115.820 119.048 -3.228 25137 12459 1 18 . 1 1 115 115 LEU HA H 115 4.225 4.225 4.126 0.099 25137 12460 1 18 . 1 1 115 115 LEU C C 115 180.490 180.490 179.473 1.017 25137 12461 1 18 . 1 1 115 115 LEU CA C 115 57.600 57.600 57.190 0.410 25137 12462 1 18 . 1 1 115 115 LEU CB C 115 40.590 40.590 41.429 -0.839 25137 12463 1 18 . 1 1 115 115 LEU H H 115 8.320 8.320 8.273 0.047 25137 12464 1 18 . 1 1 116 116 GLU N N 116 119.789 119.789 119.394 0.395 25137 12465 1 18 . 1 1 116 116 GLU HA H 116 4.109 4.109 4.037 0.072 25137 12466 1 18 . 1 1 116 116 GLU C C 116 178.790 178.790 178.693 0.097 25137 12467 1 18 . 1 1 116 116 GLU CA C 116 58.625 58.625 59.136 -0.511 25137 12468 1 18 . 1 1 116 116 GLU CB C 116 29.548 29.548 29.172 0.376 25137 12469 1 18 . 1 1 116 116 GLU H H 116 7.904 7.904 8.066 -0.162 25137 12470 1 18 . 1 1 117 117 MET N N 117 116.426 116.426 115.728 0.698 25137 12471 1 18 . 1 1 117 117 MET HA H 117 4.245 4.245 4.294 -0.049 25137 12472 1 18 . 1 1 117 117 MET C C 117 176.890 176.890 176.903 -0.013 25137 12473 1 18 . 1 1 117 117 MET CA C 117 57.638 57.638 57.548 0.090 25137 12474 1 18 . 1 1 117 117 MET CB C 117 33.467 33.467 33.818 -0.351 25137 12475 1 18 . 1 1 117 117 MET H H 117 7.712 7.712 7.659 0.053 25137 12476 1 18 . 1 1 118 118 CYS N N 118 113.993 113.993 118.611 -4.618 25137 12477 1 18 . 1 1 118 118 CYS HA H 118 4.699 4.699 4.558 0.141 25137 12478 1 18 . 1 1 118 118 CYS C C 118 174.750 174.750 173.800 0.950 25137 12479 1 18 . 1 1 118 118 CYS CA C 118 58.541 58.541 59.120 -0.579 25137 12480 1 18 . 1 1 118 118 CYS CB C 118 28.552 28.552 27.983 0.569 25137 12481 1 18 . 1 1 118 118 CYS H H 118 7.428 7.428 7.672 -0.244 25137 12482 1 18 . 1 1 119 119 GLY N N 119 109.823 109.823 115.364 -5.541 25137 12483 1 18 . 1 1 119 119 GLY C C 119 174.660 174.660 174.078 0.582 25137 12484 1 18 . 1 1 119 119 GLY CA C 119 45.709 45.709 45.420 0.289 25137 12485 1 18 . 1 1 119 119 GLY H H 119 8.056 8.056 8.495 -0.439 25137 12486 1 18 . 1 1 120 120 GLY N N 120 108.821 108.821 110.285 -1.464 25137 12487 1 18 . 1 1 120 120 GLY C C 120 173.790 173.790 174.715 -0.925 25137 12488 1 18 . 1 1 120 120 GLY CA C 120 45.326 45.326 45.750 -0.424 25137 12489 1 18 . 1 1 120 120 GLY H H 120 8.301 8.301 8.221 0.080 25137 12490 1 18 . 1 1 121 121 ASP N N 121 120.383 120.383 117.839 2.544 25137 12491 1 18 . 1 1 121 121 ASP HA H 121 4.591 4.591 4.246 0.345 25137 12492 1 18 . 1 1 121 121 ASP C C 121 176.160 176.160 174.769 1.391 25137 12493 1 18 . 1 1 121 121 ASP CA C 121 54.313 54.313 54.789 -0.476 25137 12494 1 18 . 1 1 121 121 ASP CB C 121 41.079 41.079 40.039 1.040 25137 12495 1 18 . 1 1 121 121 ASP H H 121 8.438 8.438 8.599 -0.161 25137 12496 1 18 . 1 1 122 122 LYS N N 122 121.450 121.450 120.908 0.542 25137 12497 1 18 . 1 1 122 122 LYS HA H 122 4.350 4.350 4.421 -0.071 25137 12498 1 18 . 1 1 122 122 LYS C C 122 177.184 177.184 176.770 0.414 25137 12499 1 18 . 1 1 122 122 LYS CA C 122 55.890 55.890 55.922 -0.032 25137 12500 1 18 . 1 1 122 122 LYS CB C 122 33.190 33.190 33.127 0.063 25137 12501 1 18 . 1 1 122 122 LYS H H 122 8.258 8.258 7.972 0.286 25137 12502 1 18 . 1 1 123 123 GLU N N 123 123.560 123.560 126.691 -3.131 25137 12503 1 18 . 1 1 123 123 GLU HA H 123 4.550 4.550 4.383 0.167 25137 12504 1 18 . 1 1 123 123 GLU CA C 123 54.470 54.470 54.472 -0.002 25137 12505 1 18 . 1 1 123 123 GLU CB C 123 29.640 29.640 30.229 -0.589 25137 12506 1 18 . 1 1 123 123 GLU H H 123 8.420 8.420 8.653 -0.233 25137 12507 1 18 . 1 1 124 124 PRO HA H 124 4.384 4.384 4.452 -0.068 25137 12508 1 18 . 1 1 124 124 PRO C C 124 175.770 175.770 175.498 0.272 25137 12509 1 18 . 1 1 124 124 PRO CA C 124 63.350 63.350 62.949 0.401 25137 12510 1 18 . 1 1 124 124 PRO CB C 124 32.300 32.300 30.302 1.998 25137 12511 1 19 . 1 1 2 2 ALA N N 2 123.423 123.423 124.293 -0.870 25137 12512 1 19 . 1 1 2 2 ALA HA H 2 4.357 4.357 4.010 0.347 25137 12513 1 19 . 1 1 2 2 ALA C C 2 177.811 177.811 178.048 -0.237 25137 12514 1 19 . 1 1 2 2 ALA CA C 2 52.652 52.652 52.577 0.075 25137 12515 1 19 . 1 1 2 2 ALA CB C 2 19.488 19.488 18.175 1.313 25137 12516 1 19 . 1 1 2 2 ALA H H 2 7.983 7.983 8.203 -0.220 25137 12517 1 19 . 1 1 3 3 MET N N 3 119.390 119.390 118.362 1.028 25137 12518 1 19 . 1 1 3 3 MET HA H 3 4.482 4.482 4.308 0.174 25137 12519 1 19 . 1 1 3 3 MET C C 3 176.569 176.569 177.742 -1.173 25137 12520 1 19 . 1 1 3 3 MET CA C 3 55.570 55.570 55.814 -0.244 25137 12521 1 19 . 1 1 3 3 MET CB C 3 32.900 32.900 32.943 -0.043 25137 12522 1 19 . 1 1 3 3 MET H H 3 8.570 8.570 8.390 0.180 25137 12523 1 19 . 1 1 4 4 GLY N N 4 110.130 110.130 107.878 2.252 25137 12524 1 19 . 1 1 4 4 GLY C C 4 173.630 173.630 173.998 -0.368 25137 12525 1 19 . 1 1 4 4 GLY CA C 4 45.270 45.270 44.264 1.006 25137 12526 1 19 . 1 1 4 4 GLY H H 4 8.370 8.370 7.856 0.514 25137 12527 1 19 . 1 1 5 5 MET N N 5 121.570 121.570 121.521 0.049 25137 12528 1 19 . 1 1 5 5 MET HA H 5 4.780 4.780 4.738 0.042 25137 12529 1 19 . 1 1 5 5 MET CA C 5 53.630 53.630 54.452 -0.822 25137 12530 1 19 . 1 1 5 5 MET CB C 5 33.140 33.140 32.352 0.788 25137 12531 1 19 . 1 1 5 5 MET H H 5 8.210 8.210 7.874 0.336 25137 12532 1 19 . 1 1 6 6 PRO HA H 6 4.505 4.505 4.533 -0.028 25137 12533 1 19 . 1 1 6 6 PRO C C 6 174.520 174.520 175.568 -1.048 25137 12534 1 19 . 1 1 6 6 PRO CA C 6 62.980 62.980 62.694 0.286 25137 12535 1 19 . 1 1 6 6 PRO CB C 6 32.400 32.400 32.447 -0.047 25137 12536 1 19 . 1 1 7 7 LYS N N 7 123.443 123.443 125.359 -1.916 25137 12537 1 19 . 1 1 7 7 LYS HA H 7 5.000 5.000 4.668 0.332 25137 12538 1 19 . 1 1 7 7 LYS C C 7 175.920 175.920 176.042 -0.122 25137 12539 1 19 . 1 1 7 7 LYS CA C 7 54.911 54.911 55.271 -0.360 25137 12540 1 19 . 1 1 7 7 LYS CB C 7 33.635 33.635 32.355 1.280 25137 12541 1 19 . 1 1 7 7 LYS H H 7 9.675 9.675 9.172 0.503 25137 12542 1 19 . 1 1 8 8 VAL N N 8 125.859 125.859 127.650 -1.791 25137 12543 1 19 . 1 1 8 8 VAL HA H 8 4.723 4.723 4.915 -0.192 25137 12544 1 19 . 1 1 8 8 VAL C C 8 174.630 174.630 174.238 0.392 25137 12545 1 19 . 1 1 8 8 VAL CA C 8 59.726 59.726 61.212 -1.486 25137 12546 1 19 . 1 1 8 8 VAL CB C 8 34.991 34.991 33.167 1.824 25137 12547 1 19 . 1 1 8 8 VAL H H 8 8.851 8.851 9.111 -0.260 25137 12548 1 19 . 1 1 9 9 LEU N N 9 127.114 127.114 129.145 -2.031 25137 12549 1 19 . 1 1 9 9 LEU HA H 9 5.190 5.190 4.883 0.307 25137 12550 1 19 . 1 1 9 9 LEU C C 9 174.090 174.090 174.637 -0.547 25137 12551 1 19 . 1 1 9 9 LEU CA C 9 53.090 53.090 53.502 -0.412 25137 12552 1 19 . 1 1 9 9 LEU CB C 9 45.007 45.007 44.542 0.465 25137 12553 1 19 . 1 1 9 9 LEU H H 9 7.881 7.881 8.780 -0.899 25137 12554 1 19 . 1 1 10 10 VAL N N 10 128.024 128.024 127.969 0.055 25137 12555 1 19 . 1 1 10 10 VAL HA H 10 4.647 4.647 4.493 0.154 25137 12556 1 19 . 1 1 10 10 VAL C C 10 172.900 172.900 174.006 -1.106 25137 12557 1 19 . 1 1 10 10 VAL CA C 10 61.206 61.206 61.490 -0.284 25137 12558 1 19 . 1 1 10 10 VAL CB C 10 34.541 34.541 32.609 1.932 25137 12559 1 19 . 1 1 10 10 VAL H H 10 8.952 8.952 9.148 -0.196 25137 12560 1 19 . 1 1 11 11 LEU N N 11 128.979 128.979 129.975 -0.996 25137 12561 1 19 . 1 1 11 11 LEU HA H 11 5.504 5.504 5.375 0.129 25137 12562 1 19 . 1 1 11 11 LEU C C 11 174.450 174.450 175.497 -1.047 25137 12563 1 19 . 1 1 11 11 LEU CA C 11 52.328 52.328 52.903 -0.575 25137 12564 1 19 . 1 1 11 11 LEU CB C 11 45.000 45.000 41.554 3.446 25137 12565 1 19 . 1 1 11 11 LEU H H 11 8.433 8.433 9.195 -0.762 25137 12566 1 19 . 1 1 12 12 GLU N N 12 128.158 128.158 124.921 3.237 25137 12567 1 19 . 1 1 12 12 GLU HA H 12 4.294 4.294 4.538 -0.244 25137 12568 1 19 . 1 1 12 12 GLU C C 12 173.120 173.120 174.449 -1.329 25137 12569 1 19 . 1 1 12 12 GLU CA C 12 56.964 56.964 56.390 0.574 25137 12570 1 19 . 1 1 12 12 GLU CB C 12 32.201 32.201 33.374 -1.173 25137 12571 1 19 . 1 1 12 12 GLU H H 12 8.532 8.532 8.823 -0.291 25137 12572 1 19 . 1 1 13 13 ASP N N 13 123.077 123.077 126.149 -3.072 25137 12573 1 19 . 1 1 13 13 ASP HA H 13 4.659 4.659 4.683 -0.024 25137 12574 1 19 . 1 1 13 13 ASP C C 13 176.090 176.090 176.624 -0.534 25137 12575 1 19 . 1 1 13 13 ASP CA C 13 55.140 55.140 54.422 0.718 25137 12576 1 19 . 1 1 13 13 ASP CB C 13 40.524 40.524 42.220 -1.696 25137 12577 1 19 . 1 1 13 13 ASP H H 13 8.803 8.803 8.734 0.069 25137 12578 1 19 . 1 1 14 14 GLU N N 14 126.685 126.685 121.168 5.517 25137 12579 1 19 . 1 1 14 14 GLU HA H 14 4.809 4.809 4.606 0.203 25137 12580 1 19 . 1 1 14 14 GLU CA C 14 54.574 54.574 54.345 0.229 25137 12581 1 19 . 1 1 14 14 GLU CB C 14 29.310 29.310 29.550 -0.240 25137 12582 1 19 . 1 1 14 14 GLU H H 14 10.077 10.077 8.634 1.443 25137 12583 1 19 . 1 1 15 15 PRO HA H 15 4.273 4.273 4.204 0.069 25137 12584 1 19 . 1 1 15 15 PRO C C 15 179.110 179.110 178.176 0.934 25137 12585 1 19 . 1 1 15 15 PRO CA C 15 65.472 65.472 65.705 -0.233 25137 12586 1 19 . 1 1 15 15 PRO CB C 15 32.462 32.462 31.789 0.673 25137 12587 1 19 . 1 1 16 16 LEU N N 16 118.358 118.358 117.853 0.505 25137 12588 1 19 . 1 1 16 16 LEU HA H 16 4.131 4.131 4.157 -0.026 25137 12589 1 19 . 1 1 16 16 LEU C C 16 179.260 179.260 178.637 0.623 25137 12590 1 19 . 1 1 16 16 LEU CA C 16 58.306 58.306 58.361 -0.055 25137 12591 1 19 . 1 1 16 16 LEU CB C 16 41.731 41.731 41.319 0.412 25137 12592 1 19 . 1 1 16 16 LEU H H 16 8.851 8.851 8.181 0.670 25137 12593 1 19 . 1 1 17 17 ILE N N 17 117.680 117.680 119.626 -1.946 25137 12594 1 19 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.696 0.136 25137 12595 1 19 . 1 1 17 17 ILE C C 17 178.230 178.230 177.902 0.328 25137 12596 1 19 . 1 1 17 17 ILE CA C 17 63.344 63.344 64.870 -1.526 25137 12597 1 19 . 1 1 17 17 ILE CB C 17 36.564 36.564 37.238 -0.674 25137 12598 1 19 . 1 1 17 17 ILE H H 17 6.886 6.886 7.463 -0.577 25137 12599 1 19 . 1 1 18 18 ALA N N 18 122.321 122.321 122.589 -0.268 25137 12600 1 19 . 1 1 18 18 ALA HA H 18 3.720 3.720 4.014 -0.294 25137 12601 1 19 . 1 1 18 18 ALA C C 18 178.900 178.900 179.715 -0.815 25137 12602 1 19 . 1 1 18 18 ALA CA C 18 55.890 55.890 55.461 0.429 25137 12603 1 19 . 1 1 18 18 ALA CB C 18 18.165 18.165 18.180 -0.014 25137 12604 1 19 . 1 1 18 18 ALA H H 18 7.988 7.988 8.556 -0.568 25137 12605 1 19 . 1 1 19 19 MET N N 19 115.807 115.807 117.800 -1.993 25137 12606 1 19 . 1 1 19 19 MET HA H 19 3.999 3.999 4.131 -0.132 25137 12607 1 19 . 1 1 19 19 MET C C 19 177.180 177.180 178.347 -1.167 25137 12608 1 19 . 1 1 19 19 MET CA C 19 58.144 58.144 59.212 -1.068 25137 12609 1 19 . 1 1 19 19 MET CB C 19 32.852 32.852 32.734 0.118 25137 12610 1 19 . 1 1 19 19 MET H H 19 8.204 8.204 8.560 -0.356 25137 12611 1 19 . 1 1 20 20 ASN N N 20 117.843 117.843 118.841 -0.998 25137 12612 1 19 . 1 1 20 20 ASN HA H 20 4.545 4.545 4.650 -0.105 25137 12613 1 19 . 1 1 20 20 ASN C C 20 179.590 179.590 178.531 1.059 25137 12614 1 19 . 1 1 20 20 ASN CA C 20 56.222 56.222 56.565 -0.342 25137 12615 1 19 . 1 1 20 20 ASN CB C 20 38.005 38.005 38.925 -0.920 25137 12616 1 19 . 1 1 20 20 ASN H H 20 7.839 7.839 8.123 -0.284 25137 12617 1 19 . 1 1 21 21 LEU N N 21 121.749 121.749 122.149 -0.400 25137 12618 1 19 . 1 1 21 21 LEU HA H 21 4.055 4.055 4.117 -0.062 25137 12619 1 19 . 1 1 21 21 LEU C C 21 177.750 177.750 178.466 -0.716 25137 12620 1 19 . 1 1 21 21 LEU CA C 21 58.268 58.268 58.342 -0.074 25137 12621 1 19 . 1 1 21 21 LEU CB C 21 42.605 42.605 41.999 0.606 25137 12622 1 19 . 1 1 21 21 LEU H H 21 8.601 8.601 8.821 -0.220 25137 12623 1 19 . 1 1 22 22 GLN N N 22 120.991 120.991 119.821 1.170 25137 12624 1 19 . 1 1 22 22 GLN HA H 22 3.935 3.935 3.936 -0.001 25137 12625 1 19 . 1 1 22 22 GLN C C 22 178.070 178.070 178.478 -0.408 25137 12626 1 19 . 1 1 22 22 GLN CA C 22 60.463 60.463 59.593 0.870 25137 12627 1 19 . 1 1 22 22 GLN CB C 22 26.902 26.902 28.615 -1.713 25137 12628 1 19 . 1 1 22 22 GLN H H 22 8.749 8.749 8.491 0.258 25137 12629 1 19 . 1 1 23 23 TYR N N 23 117.446 117.446 118.390 -0.944 25137 12630 1 19 . 1 1 23 23 TYR HA H 23 4.517 4.517 4.610 -0.093 25137 12631 1 19 . 1 1 23 23 TYR C C 23 178.210 178.210 178.282 -0.072 25137 12632 1 19 . 1 1 23 23 TYR CA C 23 59.425 59.425 61.175 -1.750 25137 12633 1 19 . 1 1 23 23 TYR CB C 23 36.975 36.975 38.111 -1.137 25137 12634 1 19 . 1 1 23 23 TYR H H 23 8.450 8.450 8.700 -0.250 25137 12635 1 19 . 1 1 24 24 ALA N N 24 121.627 121.627 123.341 -1.714 25137 12636 1 19 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.035 0.065 25137 12637 1 19 . 1 1 24 24 ALA C C 24 180.910 180.910 179.154 1.756 25137 12638 1 19 . 1 1 24 24 ALA CA C 24 55.060 55.060 54.910 0.150 25137 12639 1 19 . 1 1 24 24 ALA CB C 24 18.070 18.070 18.060 0.010 25137 12640 1 19 . 1 1 24 24 ALA H H 24 7.765 7.765 7.966 -0.201 25137 12641 1 19 . 1 1 25 25 PHE N N 25 115.589 115.589 117.970 -2.381 25137 12642 1 19 . 1 1 25 25 PHE HA H 25 3.940 3.940 4.099 -0.159 25137 12643 1 19 . 1 1 25 25 PHE C C 25 179.090 179.090 178.464 0.626 25137 12644 1 19 . 1 1 25 25 PHE CA C 25 63.453 63.453 62.598 0.855 25137 12645 1 19 . 1 1 25 25 PHE CB C 25 39.484 39.484 38.895 0.589 25137 12646 1 19 . 1 1 25 25 PHE H H 25 8.348 8.348 8.745 -0.397 25137 12647 1 19 . 1 1 26 26 GLU N N 26 121.198 121.198 119.374 1.824 25137 12648 1 19 . 1 1 26 26 GLU HA H 26 4.429 4.429 4.261 0.168 25137 12649 1 19 . 1 1 26 26 GLU C C 26 181.680 181.680 178.705 2.975 25137 12650 1 19 . 1 1 26 26 GLU CA C 26 59.737 59.737 58.929 0.808 25137 12651 1 19 . 1 1 26 26 GLU CB C 26 28.925 28.925 29.370 -0.445 25137 12652 1 19 . 1 1 26 26 GLU H H 26 8.822 8.822 8.482 0.340 25137 12653 1 19 . 1 1 27 27 ASP N N 27 121.846 121.846 118.334 3.512 25137 12654 1 19 . 1 1 27 27 ASP HA H 27 4.468 4.468 4.478 -0.010 25137 12655 1 19 . 1 1 27 27 ASP C C 27 177.880 177.880 177.970 -0.090 25137 12656 1 19 . 1 1 27 27 ASP CA C 27 56.996 56.996 56.640 0.356 25137 12657 1 19 . 1 1 27 27 ASP CB C 27 40.640 40.640 40.976 -0.336 25137 12658 1 19 . 1 1 27 27 ASP H H 27 8.424 8.424 7.789 0.635 25137 12659 1 19 . 1 1 28 28 GLU N N 28 115.759 115.759 117.099 -1.340 25137 12660 1 19 . 1 1 28 28 GLU HA H 28 4.331 4.331 4.386 -0.055 25137 12661 1 19 . 1 1 28 28 GLU C C 28 176.460 176.460 176.515 -0.055 25137 12662 1 19 . 1 1 28 28 GLU CA C 28 55.395 55.395 56.063 -0.668 25137 12663 1 19 . 1 1 28 28 GLU CB C 28 30.264 30.264 30.188 0.076 25137 12664 1 19 . 1 1 28 28 GLU H H 28 7.170 7.170 7.620 -0.450 25137 12665 1 19 . 1 1 29 29 GLY N N 29 106.899 106.899 106.723 0.176 25137 12666 1 19 . 1 1 29 29 GLY C C 29 173.160 173.160 172.631 0.529 25137 12667 1 19 . 1 1 29 29 GLY CA C 29 45.589 45.589 45.131 0.458 25137 12668 1 19 . 1 1 29 29 GLY H H 29 7.889 7.889 7.571 0.318 25137 12669 1 19 . 1 1 30 30 ALA N N 30 121.007 121.007 121.359 -0.352 25137 12670 1 19 . 1 1 30 30 ALA HA H 30 4.680 4.680 5.159 -0.479 25137 12671 1 19 . 1 1 30 30 ALA C C 30 175.880 175.880 175.116 0.764 25137 12672 1 19 . 1 1 30 30 ALA CA C 30 50.666 50.666 50.675 -0.009 25137 12673 1 19 . 1 1 30 30 ALA CB C 30 21.882 21.882 22.244 -0.362 25137 12674 1 19 . 1 1 30 30 ALA H H 30 7.743 7.743 7.670 0.073 25137 12675 1 19 . 1 1 31 31 GLU N N 31 120.065 120.065 120.091 -0.026 25137 12676 1 19 . 1 1 31 31 GLU HA H 31 4.664 4.664 4.728 -0.064 25137 12677 1 19 . 1 1 31 31 GLU C C 31 175.430 175.430 174.617 0.813 25137 12678 1 19 . 1 1 31 31 GLU CA C 31 55.136 55.136 55.039 0.097 25137 12679 1 19 . 1 1 31 31 GLU CB C 31 32.126 32.126 32.273 -0.147 25137 12680 1 19 . 1 1 31 31 GLU H H 31 8.595 8.595 8.647 -0.052 25137 12681 1 19 . 1 1 32 32 VAL N N 32 123.414 123.414 125.877 -2.463 25137 12682 1 19 . 1 1 32 32 VAL HA H 32 4.787 4.787 4.681 0.106 25137 12683 1 19 . 1 1 32 32 VAL C C 32 175.290 175.290 175.564 -0.274 25137 12684 1 19 . 1 1 32 32 VAL CA C 32 60.802 60.802 60.659 0.143 25137 12685 1 19 . 1 1 32 32 VAL CB C 32 34.991 34.991 33.473 1.518 25137 12686 1 19 . 1 1 32 32 VAL H H 32 8.872 8.872 8.470 0.402 25137 12687 1 19 . 1 1 33 33 VAL N N 33 128.158 128.158 128.113 0.045 25137 12688 1 19 . 1 1 33 33 VAL HA H 33 4.226 4.226 4.344 -0.118 25137 12689 1 19 . 1 1 33 33 VAL C C 33 173.830 173.830 174.675 -0.845 25137 12690 1 19 . 1 1 33 33 VAL CA C 33 60.990 60.990 60.949 0.041 25137 12691 1 19 . 1 1 33 33 VAL CB C 33 33.736 33.736 33.941 -0.205 25137 12692 1 19 . 1 1 33 33 VAL H H 33 9.042 9.042 9.012 0.030 25137 12693 1 19 . 1 1 34 34 VAL N N 34 126.239 126.239 125.938 0.301 25137 12694 1 19 . 1 1 34 34 VAL HA H 34 4.751 4.751 4.673 0.078 25137 12695 1 19 . 1 1 34 34 VAL C C 34 175.100 175.100 174.927 0.173 25137 12696 1 19 . 1 1 34 34 VAL CA C 34 61.389 61.389 61.114 0.276 25137 12697 1 19 . 1 1 34 34 VAL CB C 34 33.193 33.193 33.328 -0.135 25137 12698 1 19 . 1 1 34 34 VAL H H 34 8.522 8.522 8.476 0.046 25137 12699 1 19 . 1 1 35 35 ALA N N 35 129.955 129.955 129.351 0.604 25137 12700 1 19 . 1 1 35 35 ALA HA H 35 4.682 4.682 4.883 -0.201 25137 12701 1 19 . 1 1 35 35 ALA C C 35 174.380 174.380 175.904 -1.524 25137 12702 1 19 . 1 1 35 35 ALA CA C 35 50.154 50.154 50.604 -0.450 25137 12703 1 19 . 1 1 35 35 ALA CB C 35 22.922 22.922 22.631 0.291 25137 12704 1 19 . 1 1 35 35 ALA H H 35 9.388 9.388 9.010 0.378 25137 12705 1 19 . 1 1 36 36 ALA N N 36 121.011 121.011 123.078 -2.067 25137 12706 1 19 . 1 1 36 36 ALA HA H 36 4.632 4.632 4.663 -0.031 25137 12707 1 19 . 1 1 36 36 ALA C C 36 176.490 176.490 176.595 -0.105 25137 12708 1 19 . 1 1 36 36 ALA CA C 36 51.778 51.778 52.590 -0.812 25137 12709 1 19 . 1 1 36 36 ALA CB C 36 21.506 21.506 19.562 1.944 25137 12710 1 19 . 1 1 36 36 ALA H H 36 8.539 8.539 8.725 -0.186 25137 12711 1 19 . 1 1 37 37 THR N N 37 102.880 102.880 106.489 -3.609 25137 12712 1 19 . 1 1 37 37 THR HA H 37 4.620 4.620 4.503 0.117 25137 12713 1 19 . 1 1 37 37 THR C C 37 174.710 174.710 175.555 -0.845 25137 12714 1 19 . 1 1 37 37 THR CA C 37 57.520 57.520 59.183 -1.663 25137 12715 1 19 . 1 1 37 37 THR CB C 37 72.972 72.972 72.344 0.628 25137 12716 1 19 . 1 1 37 37 THR H H 37 7.019 7.019 7.129 -0.110 25137 12717 1 19 . 1 1 38 38 CYS N N 38 120.553 120.553 121.135 -0.582 25137 12718 1 19 . 1 1 38 38 CYS HA H 38 3.677 3.677 4.024 -0.347 25137 12719 1 19 . 1 1 38 38 CYS C C 38 176.020 176.020 176.881 -0.861 25137 12720 1 19 . 1 1 38 38 CYS CA C 38 63.179 63.179 63.931 -0.752 25137 12721 1 19 . 1 1 38 38 CYS CB C 38 26.317 26.317 27.296 -0.979 25137 12722 1 19 . 1 1 38 38 CYS H H 38 9.398 9.398 9.024 0.374 25137 12723 1 19 . 1 1 39 39 GLU N N 39 118.521 118.521 120.248 -1.727 25137 12724 1 19 . 1 1 39 39 GLU HA H 39 3.829 3.829 3.934 -0.105 25137 12725 1 19 . 1 1 39 39 GLU C C 39 179.470 179.470 179.098 0.372 25137 12726 1 19 . 1 1 39 39 GLU CA C 39 60.594 60.594 59.761 0.834 25137 12727 1 19 . 1 1 39 39 GLU CB C 39 28.963 28.963 29.218 -0.256 25137 12728 1 19 . 1 1 39 39 GLU H H 39 8.960 8.960 8.583 0.377 25137 12729 1 19 . 1 1 40 40 GLN N N 40 118.602 118.602 118.821 -0.219 25137 12730 1 19 . 1 1 40 40 GLN HA H 40 4.021 4.021 3.986 0.035 25137 12731 1 19 . 1 1 40 40 GLN C C 40 176.211 176.211 178.446 -2.235 25137 12732 1 19 . 1 1 40 40 GLN CA C 40 58.306 58.306 58.621 -0.315 25137 12733 1 19 . 1 1 40 40 GLN CB C 40 28.925 28.925 28.578 0.347 25137 12734 1 19 . 1 1 40 40 GLN H H 40 7.855 7.855 7.961 -0.106 25137 12735 1 19 . 1 1 41 41 ALA N N 41 122.395 122.395 123.140 -0.745 25137 12736 1 19 . 1 1 41 41 ALA HA H 41 3.735 3.735 3.965 -0.230 25137 12737 1 19 . 1 1 41 41 ALA C C 41 178.440 178.440 179.444 -1.004 25137 12738 1 19 . 1 1 41 41 ALA CA C 41 55.178 55.178 55.264 -0.086 25137 12739 1 19 . 1 1 41 41 ALA CB C 41 19.872 19.872 18.434 1.438 25137 12740 1 19 . 1 1 41 41 ALA H H 41 8.009 8.009 7.762 0.247 25137 12741 1 19 . 1 1 42 42 LEU N N 42 116.832 116.832 118.150 -1.318 25137 12742 1 19 . 1 1 42 42 LEU HA H 42 3.875 3.875 3.866 0.009 25137 12743 1 19 . 1 1 42 42 LEU C C 42 180.080 180.080 179.074 1.006 25137 12744 1 19 . 1 1 42 42 LEU CA C 42 58.011 58.011 57.433 0.578 25137 12745 1 19 . 1 1 42 42 LEU CB C 42 40.961 40.961 41.223 -0.262 25137 12746 1 19 . 1 1 42 42 LEU H H 42 8.497 8.497 8.497 0.000 25137 12747 1 19 . 1 1 43 43 LYS N N 43 121.087 121.087 120.167 0.920 25137 12748 1 19 . 1 1 43 43 LYS HA H 43 4.065 4.065 3.955 0.110 25137 12749 1 19 . 1 1 43 43 LYS C C 43 178.500 178.500 178.695 -0.195 25137 12750 1 19 . 1 1 43 43 LYS CA C 43 59.256 59.256 59.218 0.038 25137 12751 1 19 . 1 1 43 43 LYS CB C 43 32.295 32.295 32.035 0.260 25137 12752 1 19 . 1 1 43 43 LYS H H 43 7.593 7.593 7.826 -0.233 25137 12753 1 19 . 1 1 44 44 SER N N 44 115.150 115.150 115.762 -0.612 25137 12754 1 19 . 1 1 44 44 SER HA H 44 4.130 4.130 4.220 -0.090 25137 12755 1 19 . 1 1 44 44 SER C C 44 176.430 176.430 176.920 -0.490 25137 12756 1 19 . 1 1 44 44 SER CA C 44 62.900 62.900 61.212 1.688 25137 12757 1 19 . 1 1 44 44 SER CB C 44 62.900 62.900 62.936 -0.036 25137 12758 1 19 . 1 1 44 44 SER H H 44 8.100 8.100 7.904 0.196 25137 12759 1 19 . 1 1 45 45 LEU N N 45 120.050 120.050 121.551 -1.501 25137 12760 1 19 . 1 1 45 45 LEU HA H 45 4.121 4.121 4.056 0.065 25137 12761 1 19 . 1 1 45 45 LEU C C 45 177.260 177.260 178.045 -0.785 25137 12762 1 19 . 1 1 45 45 LEU CA C 45 56.770 56.770 57.338 -0.568 25137 12763 1 19 . 1 1 45 45 LEU CB C 45 42.389 42.389 41.035 1.354 25137 12764 1 19 . 1 1 45 45 LEU H H 45 8.050 8.050 8.319 -0.269 25137 12765 1 19 . 1 1 46 46 ALA N N 46 119.940 119.940 119.741 0.199 25137 12766 1 19 . 1 1 46 46 ALA HA H 46 4.093 4.093 4.162 -0.069 25137 12767 1 19 . 1 1 46 46 ALA C C 46 179.310 179.310 178.780 0.530 25137 12768 1 19 . 1 1 46 46 ALA CA C 46 54.126 54.126 53.652 0.474 25137 12769 1 19 . 1 1 46 46 ALA CB C 46 18.412 18.412 19.172 -0.760 25137 12770 1 19 . 1 1 46 46 ALA H H 46 7.360 7.360 7.366 -0.006 25137 12771 1 19 . 1 1 47 47 ASP N N 47 115.277 115.277 119.020 -3.743 25137 12772 1 19 . 1 1 47 47 ASP HA H 47 4.610 4.610 4.487 0.123 25137 12773 1 19 . 1 1 47 47 ASP C C 47 175.930 175.930 176.768 -0.838 25137 12774 1 19 . 1 1 47 47 ASP CA C 47 55.087 55.087 55.584 -0.497 25137 12775 1 19 . 1 1 47 47 ASP CB C 47 42.364 42.364 41.483 0.881 25137 12776 1 19 . 1 1 47 47 ASP H H 47 7.583 7.583 8.344 -0.761 25137 12777 1 19 . 1 1 48 48 ASN N N 48 116.977 116.977 116.026 0.951 25137 12778 1 19 . 1 1 48 48 ASN HA H 48 5.219 5.219 5.136 0.083 25137 12779 1 19 . 1 1 48 48 ASN CA C 48 51.096 51.096 50.953 0.143 25137 12780 1 19 . 1 1 48 48 ASN CB C 48 42.381 42.381 40.184 2.197 25137 12781 1 19 . 1 1 48 48 ASN H H 48 7.727 7.727 8.208 -0.481 25137 12782 1 19 . 1 1 49 49 PRO HA H 49 4.551 4.551 4.610 -0.059 25137 12783 1 19 . 1 1 49 49 PRO C C 49 174.890 174.890 175.516 -0.626 25137 12784 1 19 . 1 1 49 49 PRO CA C 49 62.093 62.093 62.236 -0.143 25137 12785 1 19 . 1 1 49 49 PRO CB C 49 29.940 29.940 31.066 -1.126 25137 12786 1 19 . 1 1 50 50 ILE N N 50 122.280 122.280 124.304 -2.024 25137 12787 1 19 . 1 1 50 50 ILE HA H 50 3.908 3.908 3.882 0.026 25137 12788 1 19 . 1 1 50 50 ILE C C 50 174.840 174.840 175.923 -1.083 25137 12789 1 19 . 1 1 50 50 ILE CA C 50 58.580 58.580 60.907 -2.327 25137 12790 1 19 . 1 1 50 50 ILE CB C 50 38.850 38.850 36.763 2.087 25137 12791 1 19 . 1 1 50 50 ILE H H 50 7.420 7.420 7.887 -0.467 25137 12792 1 19 . 1 1 51 51 ASP N N 51 123.770 123.770 126.934 -3.164 25137 12793 1 19 . 1 1 51 51 ASP HA H 51 4.749 4.749 4.633 0.116 25137 12794 1 19 . 1 1 51 51 ASP C C 51 175.114 175.114 175.822 -0.708 25137 12795 1 19 . 1 1 51 51 ASP CA C 51 56.930 56.930 56.173 0.757 25137 12796 1 19 . 1 1 51 51 ASP CB C 51 44.360 44.360 43.157 1.203 25137 12797 1 19 . 1 1 51 51 ASP H H 51 9.310 9.310 8.655 0.655 25137 12798 1 19 . 1 1 52 52 VAL N N 52 114.454 114.454 116.320 -1.866 25137 12799 1 19 . 1 1 52 52 VAL HA H 52 4.874 4.874 4.967 -0.093 25137 12800 1 19 . 1 1 52 52 VAL C C 52 171.129 171.129 172.955 -1.826 25137 12801 1 19 . 1 1 52 52 VAL CA C 52 59.850 59.850 59.834 0.016 25137 12802 1 19 . 1 1 52 52 VAL CB C 52 32.980 32.980 35.240 -2.260 25137 12803 1 19 . 1 1 52 52 VAL H H 52 7.580 7.580 7.700 -0.120 25137 12804 1 19 . 1 1 53 53 ALA N N 53 124.620 124.620 126.472 -1.852 25137 12805 1 19 . 1 1 53 53 ALA HA H 53 5.665 5.665 5.360 0.305 25137 12806 1 19 . 1 1 53 53 ALA C C 53 175.100 175.100 175.191 -0.091 25137 12807 1 19 . 1 1 53 53 ALA CA C 53 49.810 49.810 50.045 -0.235 25137 12808 1 19 . 1 1 53 53 ALA CB C 53 25.750 25.750 22.890 2.860 25137 12809 1 19 . 1 1 53 53 ALA H H 53 7.780 7.780 8.737 -0.957 25137 12810 1 19 . 1 1 54 54 VAL N N 54 118.950 118.950 116.873 2.077 25137 12811 1 19 . 1 1 54 54 VAL HA H 54 4.647 4.647 4.860 -0.213 25137 12812 1 19 . 1 1 54 54 VAL C C 54 174.020 174.020 174.352 -0.332 25137 12813 1 19 . 1 1 54 54 VAL CA C 54 61.580 61.580 61.069 0.511 25137 12814 1 19 . 1 1 54 54 VAL CB C 54 34.320 34.320 33.820 0.500 25137 12815 1 19 . 1 1 54 54 VAL H H 54 8.730 8.730 8.947 -0.217 25137 12816 1 19 . 1 1 55 55 LEU N N 55 124.820 124.820 128.742 -3.922 25137 12817 1 19 . 1 1 55 55 LEU HA H 55 4.953 4.953 4.711 0.242 25137 12818 1 19 . 1 1 55 55 LEU C C 55 176.110 176.110 175.242 0.868 25137 12819 1 19 . 1 1 55 55 LEU CA C 55 53.540 53.540 54.010 -0.470 25137 12820 1 19 . 1 1 55 55 LEU CB C 55 42.690 42.690 42.658 0.032 25137 12821 1 19 . 1 1 55 55 LEU H H 55 9.240 9.240 9.276 -0.036 25137 12822 1 19 . 1 1 56 56 ASP N N 56 124.220 124.220 124.633 -0.413 25137 12823 1 19 . 1 1 56 56 ASP HA H 56 5.629 5.629 5.670 -0.041 25137 12824 1 19 . 1 1 56 56 ASP C C 56 174.460 174.460 177.006 -2.546 25137 12825 1 19 . 1 1 56 56 ASP CA C 56 52.930 52.930 53.738 -0.808 25137 12826 1 19 . 1 1 56 56 ASP CB C 56 43.400 43.400 43.109 0.291 25137 12827 1 19 . 1 1 56 56 ASP H H 56 8.360 8.360 8.837 -0.477 25137 12828 1 19 . 1 1 57 57 VAL N N 57 119.581 119.581 122.328 -2.747 25137 12829 1 19 . 1 1 57 57 VAL HA H 57 4.239 4.239 4.032 0.207 25137 12830 1 19 . 1 1 57 57 VAL C C 57 175.480 175.480 176.400 -0.920 25137 12831 1 19 . 1 1 57 57 VAL CA C 57 64.564 64.564 62.294 2.270 25137 12832 1 19 . 1 1 57 57 VAL CB C 57 32.520 32.520 31.390 1.130 25137 12833 1 19 . 1 1 57 57 VAL H H 57 7.022 7.022 8.158 -1.136 25137 12834 1 19 . 1 1 58 58 ASN N N 58 114.490 114.490 119.478 -4.988 25137 12835 1 19 . 1 1 58 58 ASN HA H 58 4.693 4.693 4.704 -0.011 25137 12836 1 19 . 1 1 58 58 ASN C C 58 173.400 173.400 175.129 -1.729 25137 12837 1 19 . 1 1 58 58 ASN CA C 58 53.570 53.570 52.120 1.450 25137 12838 1 19 . 1 1 58 58 ASN CB C 58 38.820 38.820 37.205 1.615 25137 12839 1 19 . 1 1 58 58 ASN H H 58 8.600 8.600 8.198 0.402 25137 12840 1 19 . 1 1 59 59 LEU N N 59 130.670 130.670 119.153 11.517 25137 12841 1 19 . 1 1 59 59 LEU HA H 59 4.647 4.647 4.458 0.189 25137 12842 1 19 . 1 1 59 59 LEU C C 59 175.340 175.340 177.598 -2.258 25137 12843 1 19 . 1 1 59 59 LEU CA C 59 53.550 53.550 55.498 -1.948 25137 12844 1 19 . 1 1 59 59 LEU CB C 59 41.430 41.430 42.593 -1.163 25137 12845 1 19 . 1 1 59 59 LEU H H 59 8.260 8.260 7.627 0.633 25137 12846 1 19 . 1 1 60 60 GLY N N 60 109.030 109.030 104.875 4.155 25137 12847 1 19 . 1 1 60 60 GLY CA C 60 44.610 44.610 45.284 -0.674 25137 12848 1 19 . 1 1 60 60 GLY H H 60 7.860 7.860 7.557 0.303 25137 12849 1 19 . 1 1 61 61 PRO HA H 61 4.385 4.385 4.339 0.046 25137 12850 1 19 . 1 1 61 61 PRO C C 61 177.960 177.960 177.321 0.639 25137 12851 1 19 . 1 1 61 61 PRO CA C 61 64.888 64.888 65.047 -0.159 25137 12852 1 19 . 1 1 61 61 PRO CB C 61 32.070 32.070 32.334 -0.264 25137 12853 1 19 . 1 1 62 62 LYS N N 62 115.984 115.984 113.490 2.494 25137 12854 1 19 . 1 1 62 62 LYS HA H 62 4.524 4.524 4.561 -0.037 25137 12855 1 19 . 1 1 62 62 LYS C C 62 175.810 175.810 175.607 0.203 25137 12856 1 19 . 1 1 62 62 LYS CA C 62 55.444 55.444 56.121 -0.677 25137 12857 1 19 . 1 1 62 62 LYS CB C 62 33.216 33.216 33.433 -0.217 25137 12858 1 19 . 1 1 62 62 LYS H H 62 8.625 8.625 7.835 0.790 25137 12859 1 19 . 1 1 63 63 SER N N 63 113.432 113.432 116.763 -3.331 25137 12860 1 19 . 1 1 63 63 SER HA H 63 4.609 4.609 4.232 0.377 25137 12861 1 19 . 1 1 63 63 SER C C 63 172.560 172.560 173.261 -0.701 25137 12862 1 19 . 1 1 63 63 SER CA C 63 57.715 57.715 59.116 -1.401 25137 12863 1 19 . 1 1 63 63 SER CB C 63 64.866 64.866 63.134 1.732 25137 12864 1 19 . 1 1 63 63 SER H H 63 7.389 7.389 7.954 -0.565 25137 12865 1 19 . 1 1 64 64 HIS N N 64 122.580 122.580 117.925 4.655 25137 12866 1 19 . 1 1 64 64 HIS HA H 64 5.833 5.833 5.038 0.795 25137 12867 1 19 . 1 1 64 64 HIS C C 64 176.210 176.210 175.251 0.959 25137 12868 1 19 . 1 1 64 64 HIS CA C 64 54.006 54.006 53.971 0.035 25137 12869 1 19 . 1 1 64 64 HIS CB C 64 34.092 34.092 33.046 1.046 25137 12870 1 19 . 1 1 64 64 HIS H H 64 7.762 7.762 7.612 0.150 25137 12871 1 19 . 1 1 65 65 CYS N N 65 111.478 111.478 121.536 -10.058 25137 12872 1 19 . 1 1 65 65 CYS HA H 65 4.342 4.342 4.507 -0.165 25137 12873 1 19 . 1 1 65 65 CYS C C 65 175.881 175.881 174.819 1.062 25137 12874 1 19 . 1 1 65 65 CYS CA C 65 57.980 57.980 58.332 -0.352 25137 12875 1 19 . 1 1 65 65 CYS CB C 65 29.790 29.790 26.390 3.401 25137 12876 1 19 . 1 1 65 65 CYS H H 65 7.946 7.946 8.440 -0.494 25137 12877 1 19 . 1 1 66 66 GLY N N 66 120.340 120.340 113.216 7.124 25137 12878 1 19 . 1 1 66 66 GLY CA C 66 48.880 48.880 46.006 2.874 25137 12879 1 19 . 1 1 66 66 GLY H H 66 11.290 11.290 8.188 3.102 25137 12880 1 19 . 1 1 67 67 PRO HA H 67 4.386 4.386 4.251 0.135 25137 12881 1 19 . 1 1 67 67 PRO C C 67 179.860 179.860 178.178 1.682 25137 12882 1 19 . 1 1 67 67 PRO CA C 67 65.388 65.388 65.557 -0.169 25137 12883 1 19 . 1 1 67 67 PRO CB C 67 32.970 32.970 31.358 1.612 25137 12884 1 19 . 1 1 68 68 VAL N N 68 116.564 116.564 117.052 -0.488 25137 12885 1 19 . 1 1 68 68 VAL HA H 68 3.494 3.494 3.561 -0.067 25137 12886 1 19 . 1 1 68 68 VAL C C 68 176.350 176.350 177.452 -1.102 25137 12887 1 19 . 1 1 68 68 VAL CA C 68 64.839 64.839 66.161 -1.322 25137 12888 1 19 . 1 1 68 68 VAL CB C 68 31.396 31.396 31.184 0.212 25137 12889 1 19 . 1 1 68 68 VAL H H 68 7.471 7.471 7.872 -0.401 25137 12890 1 19 . 1 1 69 69 ALA N N 69 122.825 122.825 122.713 0.112 25137 12891 1 19 . 1 1 69 69 ALA HA H 69 3.085 3.085 3.266 -0.181 25137 12892 1 19 . 1 1 69 69 ALA C C 69 179.280 179.280 178.887 0.393 25137 12893 1 19 . 1 1 69 69 ALA CA C 69 55.209 55.209 55.136 0.073 25137 12894 1 19 . 1 1 69 69 ALA CB C 69 18.141 18.141 18.066 0.075 25137 12895 1 19 . 1 1 69 69 ALA H H 69 7.880 7.880 7.712 0.168 25137 12896 1 19 . 1 1 70 70 ASP N N 70 116.269 116.269 119.313 -3.044 25137 12897 1 19 . 1 1 70 70 ASP HA H 70 4.314 4.314 4.253 0.061 25137 12898 1 19 . 1 1 70 70 ASP C C 70 178.300 178.300 177.973 0.327 25137 12899 1 19 . 1 1 70 70 ASP CA C 70 57.530 57.530 57.539 -0.009 25137 12900 1 19 . 1 1 70 70 ASP CB C 70 40.582 40.582 40.685 -0.103 25137 12901 1 19 . 1 1 70 70 ASP H H 70 8.316 8.316 7.821 0.495 25137 12902 1 19 . 1 1 71 71 ALA N N 71 122.771 122.771 121.917 0.854 25137 12903 1 19 . 1 1 71 71 ALA HA H 71 4.045 4.045 4.023 0.022 25137 12904 1 19 . 1 1 71 71 ALA C C 71 180.700 180.700 180.129 0.571 25137 12905 1 19 . 1 1 71 71 ALA CA C 71 55.062 55.062 55.013 0.049 25137 12906 1 19 . 1 1 71 71 ALA CB C 71 18.675 18.675 18.343 0.332 25137 12907 1 19 . 1 1 71 71 ALA H H 71 7.156 7.156 7.936 -0.780 25137 12908 1 19 . 1 1 72 72 LEU N N 72 119.021 119.021 118.275 0.746 25137 12909 1 19 . 1 1 72 72 LEU HA H 72 3.824 3.824 3.817 0.006 25137 12910 1 19 . 1 1 72 72 LEU C C 72 179.560 179.560 179.215 0.345 25137 12911 1 19 . 1 1 72 72 LEU CA C 72 58.351 58.351 57.525 0.826 25137 12912 1 19 . 1 1 72 72 LEU CB C 72 40.437 40.437 41.255 -0.818 25137 12913 1 19 . 1 1 72 72 LEU H H 72 8.250 8.250 7.941 0.309 25137 12914 1 19 . 1 1 73 73 LYS N N 73 120.087 120.087 119.731 0.356 25137 12915 1 19 . 1 1 73 73 LYS HA H 73 4.431 4.431 4.120 0.311 25137 12916 1 19 . 1 1 73 73 LYS C C 73 181.310 181.310 180.157 1.153 25137 12917 1 19 . 1 1 73 73 LYS CA C 73 59.307 59.307 59.302 0.005 25137 12918 1 19 . 1 1 73 73 LYS CB C 73 32.404 32.404 31.751 0.653 25137 12919 1 19 . 1 1 73 73 LYS H H 73 8.383 8.383 8.464 -0.081 25137 12920 1 19 . 1 1 74 74 GLN N N 74 118.982 118.982 118.541 0.441 25137 12921 1 19 . 1 1 74 74 GLN HA H 74 4.074 4.074 4.152 -0.078 25137 12922 1 19 . 1 1 74 74 GLN C C 74 177.620 177.620 177.823 -0.203 25137 12923 1 19 . 1 1 74 74 GLN CA C 74 58.834 58.834 58.476 0.358 25137 12924 1 19 . 1 1 74 74 GLN CB C 74 28.505 28.505 28.606 -0.101 25137 12925 1 19 . 1 1 74 74 GLN H H 74 8.015 8.015 8.543 -0.528 25137 12926 1 19 . 1 1 75 75 ARG N N 75 116.770 116.770 116.374 0.396 25137 12927 1 19 . 1 1 75 75 ARG HA H 75 4.272 4.272 4.402 -0.130 25137 12928 1 19 . 1 1 75 75 ARG C C 75 174.310 174.310 175.178 -0.868 25137 12929 1 19 . 1 1 75 75 ARG CA C 75 55.950 55.950 55.381 0.569 25137 12930 1 19 . 1 1 75 75 ARG CB C 75 31.780 31.780 30.231 1.549 25137 12931 1 19 . 1 1 75 75 ARG H H 75 7.240 7.240 7.484 -0.244 25137 12932 1 19 . 1 1 76 76 ALA N N 76 122.020 122.020 120.507 1.513 25137 12933 1 19 . 1 1 76 76 ALA HA H 76 4.050 4.050 4.058 -0.008 25137 12934 1 19 . 1 1 76 76 ALA C C 76 176.240 176.240 177.313 -1.073 25137 12935 1 19 . 1 1 76 76 ALA CA C 76 53.170 53.170 52.951 0.219 25137 12936 1 19 . 1 1 76 76 ALA CB C 76 16.650 16.650 17.227 -0.577 25137 12937 1 19 . 1 1 76 76 ALA H H 76 8.065 8.065 7.487 0.578 25137 12938 1 19 . 1 1 77 77 ILE N N 77 122.300 122.300 119.958 2.342 25137 12939 1 19 . 1 1 77 77 ILE HA H 77 4.502 4.502 4.301 0.201 25137 12940 1 19 . 1 1 77 77 ILE CA C 77 58.610 58.610 58.852 -0.242 25137 12941 1 19 . 1 1 77 77 ILE CB C 77 40.000 40.000 39.078 0.922 25137 12942 1 19 . 1 1 77 77 ILE H H 77 8.080 8.080 8.167 -0.087 25137 12943 1 19 . 1 1 78 78 PRO HA H 78 4.454 4.454 4.577 -0.123 25137 12944 1 19 . 1 1 78 78 PRO C C 78 174.680 174.680 175.493 -0.813 25137 12945 1 19 . 1 1 78 78 PRO CA C 78 62.622 62.622 62.717 -0.094 25137 12946 1 19 . 1 1 78 78 PRO CB C 78 32.772 32.772 32.214 0.558 25137 12947 1 19 . 1 1 79 79 PHE N N 79 109.800 109.800 116.124 -6.324 25137 12948 1 19 . 1 1 79 79 PHE HA H 79 5.656 5.656 5.586 0.070 25137 12949 1 19 . 1 1 79 79 PHE C C 79 172.780 172.780 173.637 -0.857 25137 12950 1 19 . 1 1 79 79 PHE CA C 79 55.612 55.612 55.786 -0.174 25137 12951 1 19 . 1 1 79 79 PHE CB C 79 42.181 42.181 42.253 -0.072 25137 12952 1 19 . 1 1 79 79 PHE H H 79 7.463 7.463 7.950 -0.487 25137 12953 1 19 . 1 1 80 80 ILE N N 80 114.746 114.746 120.554 -5.808 25137 12954 1 19 . 1 1 80 80 ILE HA H 80 4.545 4.545 4.605 -0.060 25137 12955 1 19 . 1 1 80 80 ILE C C 80 174.750 174.750 175.305 -0.555 25137 12956 1 19 . 1 1 80 80 ILE CA C 80 58.914 58.914 59.762 -0.848 25137 12957 1 19 . 1 1 80 80 ILE CB C 80 43.079 43.079 41.669 1.410 25137 12958 1 19 . 1 1 80 80 ILE H H 80 8.024 8.024 8.327 -0.303 25137 12959 1 19 . 1 1 81 81 LEU N N 81 124.450 124.450 127.143 -2.693 25137 12960 1 19 . 1 1 81 81 LEU HA H 81 5.470 5.470 5.110 0.360 25137 12961 1 19 . 1 1 81 81 LEU C C 81 175.620 175.620 176.187 -0.567 25137 12962 1 19 . 1 1 81 81 LEU CA C 81 53.345 53.345 53.097 0.248 25137 12963 1 19 . 1 1 81 81 LEU CB C 81 43.304 43.304 39.888 3.416 25137 12964 1 19 . 1 1 81 81 LEU H H 81 8.935 8.935 9.015 -0.080 25137 12965 1 19 . 1 1 82 82 HIS N N 82 126.167 126.167 126.575 -0.408 25137 12966 1 19 . 1 1 82 82 HIS HA H 82 5.880 5.880 5.636 0.244 25137 12967 1 19 . 1 1 82 82 HIS C C 82 172.730 172.730 174.577 -1.847 25137 12968 1 19 . 1 1 82 82 HIS CA C 82 52.947 52.947 53.856 -0.909 25137 12969 1 19 . 1 1 82 82 HIS CB C 82 31.171 31.171 31.676 -0.505 25137 12970 1 19 . 1 1 82 82 HIS H H 82 8.828 8.828 9.008 -0.180 25137 12971 1 19 . 1 1 83 83 THR N N 83 114.001 114.001 120.285 -6.284 25137 12972 1 19 . 1 1 83 83 THR HA H 83 5.305 5.305 4.529 0.776 25137 12973 1 19 . 1 1 83 83 THR C C 83 172.800 172.800 173.542 -0.742 25137 12974 1 19 . 1 1 83 83 THR CA C 83 58.807 58.807 61.243 -2.436 25137 12975 1 19 . 1 1 83 83 THR CB C 83 69.366 69.366 70.299 -0.933 25137 12976 1 19 . 1 1 83 83 THR H H 83 7.252 7.252 8.786 -1.534 25137 12977 1 19 . 1 1 84 84 GLY N N 84 115.666 115.666 111.595 4.071 25137 12978 1 19 . 1 1 84 84 GLY C C 84 173.764 173.764 173.565 0.199 25137 12979 1 19 . 1 1 84 84 GLY CA C 84 45.284 45.284 45.078 0.206 25137 12980 1 19 . 1 1 84 84 GLY H H 84 8.483 8.483 8.905 -0.422 25137 12981 1 19 . 1 1 85 85 ASP N N 85 123.490 123.490 120.489 3.001 25137 12982 1 19 . 1 1 85 85 ASP HA H 85 4.982 4.982 4.937 0.045 25137 12983 1 19 . 1 1 85 85 ASP C C 85 175.829 175.829 175.825 0.004 25137 12984 1 19 . 1 1 85 85 ASP CA C 85 53.420 53.420 53.133 0.287 25137 12985 1 19 . 1 1 85 85 ASP CB C 85 41.560 41.560 41.728 -0.168 25137 12986 1 19 . 1 1 85 85 ASP H H 85 8.510 8.510 7.910 0.600 25137 12987 1 19 . 1 1 86 86 LEU N N 86 122.010 122.010 125.969 -3.959 25137 12988 1 19 . 1 1 86 86 LEU HA H 86 3.997 3.997 4.529 -0.532 25137 12989 1 19 . 1 1 86 86 LEU C C 86 178.242 178.242 176.949 1.293 25137 12990 1 19 . 1 1 86 86 LEU CA C 86 57.410 57.410 55.486 1.923 25137 12991 1 19 . 1 1 86 86 LEU CB C 86 42.000 42.000 42.647 -0.647 25137 12992 1 19 . 1 1 86 86 LEU H H 86 8.210 8.210 8.661 -0.451 25137 12993 1 19 . 1 1 87 87 ASP N N 87 117.260 117.260 119.568 -2.308 25137 12994 1 19 . 1 1 87 87 ASP HA H 87 4.535 4.535 4.546 -0.011 25137 12995 1 19 . 1 1 87 87 ASP C C 87 178.351 178.351 178.797 -0.446 25137 12996 1 19 . 1 1 87 87 ASP CA C 87 56.010 56.010 56.935 -0.925 25137 12997 1 19 . 1 1 87 87 ASP CB C 87 41.400 41.400 41.010 0.390 25137 12998 1 19 . 1 1 87 87 ASP H H 87 8.290 8.290 7.863 0.427 25137 12999 1 19 . 1 1 88 88 ARG N N 88 120.750 120.750 120.517 0.233 25137 13000 1 19 . 1 1 88 88 ARG HA H 88 4.015 4.015 4.077 -0.062 25137 13001 1 19 . 1 1 88 88 ARG C C 88 177.300 177.300 178.432 -1.132 25137 13002 1 19 . 1 1 88 88 ARG CA C 88 58.340 58.340 58.411 -0.071 25137 13003 1 19 . 1 1 88 88 ARG CB C 88 30.460 30.460 30.608 -0.148 25137 13004 1 19 . 1 1 88 88 ARG H H 88 8.040 8.040 8.083 -0.043 25137 13005 1 19 . 1 1 89 89 HIS N N 89 115.580 115.580 116.806 -1.226 25137 13006 1 19 . 1 1 89 89 HIS HA H 89 5.026 5.026 4.694 0.332 25137 13007 1 19 . 1 1 89 89 HIS C C 89 175.670 175.670 176.228 -0.558 25137 13008 1 19 . 1 1 89 89 HIS CA C 89 55.300 55.300 55.527 -0.227 25137 13009 1 19 . 1 1 89 89 HIS CB C 89 29.890 29.890 29.218 0.672 25137 13010 1 19 . 1 1 89 89 HIS H H 89 7.900 7.900 8.443 -0.543 25137 13011 1 19 . 1 1 90 90 GLY N N 90 108.320 108.320 108.432 -0.112 25137 13012 1 19 . 1 1 90 90 GLY C C 90 175.880 175.880 175.298 0.582 25137 13013 1 19 . 1 1 90 90 GLY CA C 90 48.310 48.310 46.975 1.335 25137 13014 1 19 . 1 1 90 90 GLY H H 90 7.790 7.790 7.741 0.049 25137 13015 1 19 . 1 1 91 91 GLU N N 91 120.490 120.490 121.729 -1.239 25137 13016 1 19 . 1 1 91 91 GLU HA H 91 4.043 4.043 4.029 0.014 25137 13017 1 19 . 1 1 91 91 GLU C C 91 178.410 178.410 178.262 0.148 25137 13018 1 19 . 1 1 91 91 GLU CA C 91 59.200 59.200 59.001 0.199 25137 13019 1 19 . 1 1 91 91 GLU CB C 91 29.240 29.240 29.189 0.051 25137 13020 1 19 . 1 1 91 91 GLU H H 91 8.580 8.580 8.000 0.580 25137 13021 1 19 . 1 1 92 92 LEU N N 92 121.740 121.740 120.691 1.049 25137 13022 1 19 . 1 1 92 92 LEU HA H 92 4.048 4.048 4.011 0.037 25137 13023 1 19 . 1 1 92 92 LEU C C 92 178.630 178.630 178.739 -0.109 25137 13024 1 19 . 1 1 92 92 LEU CA C 92 57.690 57.690 57.905 -0.215 25137 13025 1 19 . 1 1 92 92 LEU CB C 92 41.820 41.820 41.730 0.090 25137 13026 1 19 . 1 1 92 92 LEU H H 92 7.690 7.690 7.955 -0.265 25137 13027 1 19 . 1 1 93 93 LEU N N 93 117.310 117.310 118.803 -1.493 25137 13028 1 19 . 1 1 93 93 LEU HA H 93 3.881 3.881 3.823 0.058 25137 13029 1 19 . 1 1 93 93 LEU C C 93 174.967 174.967 179.176 -4.209 25137 13030 1 19 . 1 1 93 93 LEU CA C 93 57.940 57.940 58.261 -0.321 25137 13031 1 19 . 1 1 93 93 LEU CB C 93 40.640 40.640 41.220 -0.580 25137 13032 1 19 . 1 1 93 93 LEU H H 93 8.160 8.160 8.129 0.031 25137 13033 1 19 . 1 1 94 94 ARG N N 94 117.940 117.940 118.083 -0.143 25137 13034 1 19 . 1 1 94 94 ARG HA H 94 4.120 4.120 4.098 0.022 25137 13035 1 19 . 1 1 94 94 ARG C C 94 177.870 177.870 178.181 -0.311 25137 13036 1 19 . 1 1 94 94 ARG CA C 94 58.450 58.450 59.058 -0.608 25137 13037 1 19 . 1 1 94 94 ARG CB C 94 30.370 30.370 30.111 0.259 25137 13038 1 19 . 1 1 94 94 ARG H H 94 7.770 7.770 8.369 -0.599 25137 13039 1 19 . 1 1 95 95 LYS N N 95 118.380 118.380 120.140 -1.760 25137 13040 1 19 . 1 1 95 95 LYS HA H 95 4.160 4.160 4.175 -0.015 25137 13041 1 19 . 1 1 95 95 LYS C C 95 177.730 177.730 177.958 -0.228 25137 13042 1 19 . 1 1 95 95 LYS CA C 95 57.600 57.600 58.725 -1.125 25137 13043 1 19 . 1 1 95 95 LYS CB C 95 32.770 32.770 32.858 -0.088 25137 13044 1 19 . 1 1 95 95 LYS H H 95 7.640 7.640 7.647 -0.007 25137 13045 1 19 . 1 1 96 96 ILE N N 96 120.160 120.160 117.866 2.294 25137 13046 1 19 . 1 1 96 96 ILE HA H 96 3.781 3.781 3.988 -0.207 25137 13047 1 19 . 1 1 96 96 ILE C C 96 175.840 175.840 175.099 0.741 25137 13048 1 19 . 1 1 96 96 ILE CA C 96 63.720 63.720 63.847 -0.127 25137 13049 1 19 . 1 1 96 96 ILE CB C 96 38.670 38.670 39.067 -0.397 25137 13050 1 19 . 1 1 96 96 ILE H H 96 7.980 7.980 7.671 0.309 25137 13051 1 19 . 1 1 97 97 ASP N N 97 120.510 120.510 119.403 1.107 25137 13052 1 19 . 1 1 97 97 ASP HA H 97 4.380 4.380 4.237 0.143 25137 13053 1 19 . 1 1 97 97 ASP C C 97 173.580 173.580 173.893 -0.313 25137 13054 1 19 . 1 1 97 97 ASP CA C 97 54.300 54.300 55.128 -0.828 25137 13055 1 19 . 1 1 97 97 ASP CB C 97 39.490 39.490 40.090 -0.600 25137 13056 1 19 . 1 1 97 97 ASP H H 97 8.160 8.160 8.323 -0.163 25137 13057 1 19 . 1 1 98 98 ALA N N 98 123.800 123.800 123.781 0.019 25137 13058 1 19 . 1 1 98 98 ALA HA H 98 4.550 4.550 4.652 -0.102 25137 13059 1 19 . 1 1 98 98 ALA CA C 98 49.860 49.860 50.770 -0.910 25137 13060 1 19 . 1 1 98 98 ALA CB C 98 21.070 21.070 20.424 0.646 25137 13061 1 19 . 1 1 98 98 ALA H H 98 7.680 7.680 7.924 -0.244 25137 13062 1 19 . 1 1 99 99 PRO HA H 99 4.370 4.370 4.481 -0.111 25137 13063 1 19 . 1 1 99 99 PRO C C 99 174.760 174.760 175.576 -0.816 25137 13064 1 19 . 1 1 99 99 PRO CA C 99 62.950 62.950 63.316 -0.366 25137 13065 1 19 . 1 1 99 99 PRO CB C 99 32.310 32.310 31.975 0.335 25137 13066 1 19 . 1 1 100 100 VAL N N 100 120.490 120.490 122.036 -1.546 25137 13067 1 19 . 1 1 100 100 VAL HA H 100 4.832 4.832 4.857 -0.025 25137 13068 1 19 . 1 1 100 100 VAL C C 100 176.650 176.650 175.496 1.154 25137 13069 1 19 . 1 1 100 100 VAL CA C 100 60.450 60.450 61.121 -0.671 25137 13070 1 19 . 1 1 100 100 VAL CB C 100 34.830 34.830 34.952 -0.122 25137 13071 1 19 . 1 1 100 100 VAL H H 100 8.270 8.270 8.197 0.073 25137 13072 1 19 . 1 1 101 101 MET N N 101 127.420 127.420 125.470 1.950 25137 13073 1 19 . 1 1 101 101 MET HA H 101 4.705 4.705 4.787 -0.082 25137 13074 1 19 . 1 1 101 101 MET C C 101 174.490 174.490 174.626 -0.136 25137 13075 1 19 . 1 1 101 101 MET CA C 101 54.730 54.730 53.513 1.217 25137 13076 1 19 . 1 1 101 101 MET CB C 101 34.560 34.560 34.485 0.075 25137 13077 1 19 . 1 1 101 101 MET H H 101 9.240 9.240 9.333 -0.093 25137 13078 1 19 . 1 1 102 102 ALA N N 102 128.590 128.590 128.507 0.083 25137 13079 1 19 . 1 1 102 102 ALA HA H 102 4.608 4.608 5.216 -0.608 25137 13080 1 19 . 1 1 102 102 ALA C C 102 177.935 177.935 176.898 1.037 25137 13081 1 19 . 1 1 102 102 ALA CA C 102 51.930 51.930 51.241 0.689 25137 13082 1 19 . 1 1 102 102 ALA CB C 102 19.040 19.040 20.147 -1.107 25137 13083 1 19 . 1 1 102 102 ALA H H 102 8.760 8.760 8.466 0.294 25137 13084 1 19 . 1 1 103 103 LYS N N 103 120.200 120.200 122.508 -2.308 25137 13085 1 19 . 1 1 103 103 LYS HA H 103 4.284 4.284 4.937 -0.653 25137 13086 1 19 . 1 1 103 103 LYS CA C 103 54.370 54.370 54.217 0.153 25137 13087 1 19 . 1 1 103 103 LYS CB C 103 34.190 34.190 32.410 1.780 25137 13088 1 19 . 1 1 103 103 LYS H H 103 7.300 7.300 7.994 -0.694 25137 13089 1 19 . 1 1 104 104 PRO HA H 104 4.611 4.611 4.512 0.099 25137 13090 1 19 . 1 1 104 104 PRO C C 104 174.980 174.980 175.561 -0.581 25137 13091 1 19 . 1 1 104 104 PRO CA C 104 62.626 62.626 62.617 0.009 25137 13092 1 19 . 1 1 104 104 PRO CB C 104 33.867 33.867 32.364 1.503 25137 13093 1 19 . 1 1 105 105 ALA N N 105 125.082 125.082 124.714 0.368 25137 13094 1 19 . 1 1 105 105 ALA HA H 105 4.576 4.576 4.474 0.102 25137 13095 1 19 . 1 1 105 105 ALA C C 105 176.890 176.890 176.245 0.645 25137 13096 1 19 . 1 1 105 105 ALA CA C 105 51.177 51.177 51.303 -0.126 25137 13097 1 19 . 1 1 105 105 ALA CB C 105 21.735 21.735 21.675 0.060 25137 13098 1 19 . 1 1 105 105 ALA H H 105 8.668 8.668 8.213 0.455 25137 13099 1 19 . 1 1 106 106 ASP N N 106 122.306 122.306 124.169 -1.863 25137 13100 1 19 . 1 1 106 106 ASP HA H 106 4.636 4.636 4.629 0.007 25137 13101 1 19 . 1 1 106 106 ASP C C 106 178.383 178.383 177.612 0.771 25137 13102 1 19 . 1 1 106 106 ASP CA C 106 54.312 54.312 53.876 0.436 25137 13103 1 19 . 1 1 106 106 ASP CB C 106 41.260 41.260 42.340 -1.080 25137 13104 1 19 . 1 1 106 106 ASP H H 106 8.867 8.867 8.439 0.428 25137 13105 1 19 . 1 1 107 107 THR N N 107 119.540 119.540 117.671 1.869 25137 13106 1 19 . 1 1 107 107 THR HA H 107 3.573 3.573 4.038 -0.465 25137 13107 1 19 . 1 1 107 107 THR C C 107 176.393 176.393 176.433 -0.040 25137 13108 1 19 . 1 1 107 107 THR CA C 107 65.940 65.940 64.708 1.232 25137 13109 1 19 . 1 1 107 107 THR CB C 107 68.191 68.191 68.630 -0.439 25137 13110 1 19 . 1 1 107 107 THR H H 107 8.658 8.658 8.535 0.123 25137 13111 1 19 . 1 1 108 108 SER N N 108 117.095 117.095 117.385 -0.290 25137 13112 1 19 . 1 1 108 108 SER HA H 108 4.140 4.140 4.061 0.079 25137 13113 1 19 . 1 1 108 108 SER C C 108 176.143 176.143 175.911 0.232 25137 13114 1 19 . 1 1 108 108 SER CA C 108 61.650 61.650 62.413 -0.763 25137 13115 1 19 . 1 1 108 108 SER CB C 108 62.450 62.450 62.447 0.003 25137 13116 1 19 . 1 1 108 108 SER H H 108 8.480 8.480 8.677 -0.197 25137 13117 1 19 . 1 1 109 109 ASP N N 109 122.520 122.520 123.666 -1.146 25137 13118 1 19 . 1 1 109 109 ASP HA H 109 4.400 4.400 4.420 -0.020 25137 13119 1 19 . 1 1 109 109 ASP C C 109 178.499 178.499 178.648 -0.149 25137 13120 1 19 . 1 1 109 109 ASP CA C 109 56.990 56.990 57.421 -0.431 25137 13121 1 19 . 1 1 109 109 ASP CB C 109 40.560 40.560 40.750 -0.190 25137 13122 1 19 . 1 1 109 109 ASP H H 109 7.350 7.350 7.702 -0.352 25137 13123 1 19 . 1 1 110 110 VAL N N 110 120.210 120.210 119.479 0.731 25137 13124 1 19 . 1 1 110 110 VAL HA H 110 3.262 3.262 3.629 -0.367 25137 13125 1 19 . 1 1 110 110 VAL C C 110 176.535 176.535 178.017 -1.482 25137 13126 1 19 . 1 1 110 110 VAL CA C 110 66.090 66.090 65.865 0.225 25137 13127 1 19 . 1 1 110 110 VAL CB C 110 31.400 31.400 30.667 0.733 25137 13128 1 19 . 1 1 110 110 VAL H H 110 7.440 7.440 7.828 -0.388 25137 13129 1 19 . 1 1 111 111 ALA N N 111 118.790 118.790 122.016 -3.226 25137 13130 1 19 . 1 1 111 111 ALA HA H 111 3.264 3.264 2.752 0.512 25137 13131 1 19 . 1 1 111 111 ALA C C 111 179.030 179.030 179.280 -0.250 25137 13132 1 19 . 1 1 111 111 ALA CA C 111 54.590 54.590 54.719 -0.129 25137 13133 1 19 . 1 1 111 111 ALA CB C 111 16.480 16.480 17.523 -1.044 25137 13134 1 19 . 1 1 111 111 ALA H H 111 7.610 7.610 7.866 -0.256 25137 13135 1 19 . 1 1 112 112 LYS N N 112 115.540 115.540 118.350 -2.810 25137 13136 1 19 . 1 1 112 112 LYS HA H 112 3.750 3.750 3.853 -0.103 25137 13137 1 19 . 1 1 112 112 LYS C C 112 179.470 179.470 179.204 0.266 25137 13138 1 19 . 1 1 112 112 LYS CA C 112 60.020 60.020 59.869 0.151 25137 13139 1 19 . 1 1 112 112 LYS CB C 112 32.680 32.680 32.237 0.443 25137 13140 1 19 . 1 1 112 112 LYS H H 112 7.840 7.840 8.118 -0.278 25137 13141 1 19 . 1 1 113 113 ARG N N 113 118.590 118.590 118.327 0.263 25137 13142 1 19 . 1 1 113 113 ARG HA H 113 4.021 4.021 4.083 -0.062 25137 13143 1 19 . 1 1 113 113 ARG C C 113 179.120 179.120 178.620 0.500 25137 13144 1 19 . 1 1 113 113 ARG CA C 113 58.180 58.180 58.473 -0.293 25137 13145 1 19 . 1 1 113 113 ARG CB C 113 29.530 29.530 29.558 -0.028 25137 13146 1 19 . 1 1 113 113 ARG H H 113 7.860 7.860 7.853 0.007 25137 13147 1 19 . 1 1 114 114 ALA N N 114 120.520 120.520 122.533 -2.013 25137 13148 1 19 . 1 1 114 114 ALA HA H 114 4.046 4.046 4.199 -0.153 25137 13149 1 19 . 1 1 114 114 ALA C C 114 179.280 179.280 179.758 -0.478 25137 13150 1 19 . 1 1 114 114 ALA CA C 114 55.070 55.070 55.060 0.010 25137 13151 1 19 . 1 1 114 114 ALA CB C 114 17.920 17.920 18.701 -0.781 25137 13152 1 19 . 1 1 114 114 ALA H H 114 8.190 8.190 7.613 0.577 25137 13153 1 19 . 1 1 115 115 LEU N N 115 115.820 115.820 118.324 -2.504 25137 13154 1 19 . 1 1 115 115 LEU HA H 115 4.225 4.225 4.040 0.185 25137 13155 1 19 . 1 1 115 115 LEU C C 115 180.490 180.490 179.314 1.176 25137 13156 1 19 . 1 1 115 115 LEU CA C 115 57.600 57.600 57.564 0.036 25137 13157 1 19 . 1 1 115 115 LEU CB C 115 40.590 40.590 41.480 -0.890 25137 13158 1 19 . 1 1 115 115 LEU H H 115 8.320 8.320 8.605 -0.285 25137 13159 1 19 . 1 1 116 116 GLU N N 116 119.789 119.789 119.311 0.478 25137 13160 1 19 . 1 1 116 116 GLU HA H 116 4.109 4.109 4.025 0.084 25137 13161 1 19 . 1 1 116 116 GLU C C 116 178.790 178.790 178.637 0.153 25137 13162 1 19 . 1 1 116 116 GLU CA C 116 58.625 58.625 59.266 -0.640 25137 13163 1 19 . 1 1 116 116 GLU CB C 116 29.548 29.548 29.415 0.133 25137 13164 1 19 . 1 1 116 116 GLU H H 116 7.904 7.904 8.263 -0.359 25137 13165 1 19 . 1 1 117 117 MET N N 117 116.426 116.426 116.408 0.018 25137 13166 1 19 . 1 1 117 117 MET HA H 117 4.245 4.245 4.316 -0.071 25137 13167 1 19 . 1 1 117 117 MET C C 117 176.890 176.890 178.654 -1.764 25137 13168 1 19 . 1 1 117 117 MET CA C 117 57.638 57.638 57.643 -0.005 25137 13169 1 19 . 1 1 117 117 MET CB C 117 33.467 33.467 32.879 0.588 25137 13170 1 19 . 1 1 117 117 MET H H 117 7.712 7.712 7.540 0.172 25137 13171 1 19 . 1 1 118 118 CYS N N 118 113.993 113.993 119.174 -5.181 25137 13172 1 19 . 1 1 118 118 CYS HA H 118 4.699 4.699 4.233 0.466 25137 13173 1 19 . 1 1 118 118 CYS C C 118 174.750 174.750 176.131 -1.381 25137 13174 1 19 . 1 1 118 118 CYS CA C 118 58.541 58.541 60.854 -2.313 25137 13175 1 19 . 1 1 118 118 CYS CB C 118 28.552 28.552 28.136 0.416 25137 13176 1 19 . 1 1 118 118 CYS H H 118 7.428 7.428 7.708 -0.280 25137 13177 1 19 . 1 1 119 119 GLY N N 119 109.823 109.823 106.867 2.956 25137 13178 1 19 . 1 1 119 119 GLY C C 119 174.660 174.660 174.154 0.506 25137 13179 1 19 . 1 1 119 119 GLY CA C 119 45.709 45.709 44.570 1.139 25137 13180 1 19 . 1 1 119 119 GLY H H 119 8.056 8.056 7.599 0.457 25137 13181 1 19 . 1 1 120 120 GLY N N 120 108.821 108.821 109.001 -0.180 25137 13182 1 19 . 1 1 120 120 GLY C C 120 173.790 173.790 174.474 -0.684 25137 13183 1 19 . 1 1 120 120 GLY CA C 120 45.326 45.326 45.706 -0.380 25137 13184 1 19 . 1 1 120 120 GLY H H 120 8.301 8.301 8.758 -0.457 25137 13185 1 19 . 1 1 121 121 ASP N N 121 120.383 120.383 121.184 -0.801 25137 13186 1 19 . 1 1 121 121 ASP HA H 121 4.591 4.591 4.725 -0.134 25137 13187 1 19 . 1 1 121 121 ASP C C 121 176.160 176.160 175.721 0.439 25137 13188 1 19 . 1 1 121 121 ASP CA C 121 54.313 54.313 53.846 0.466 25137 13189 1 19 . 1 1 121 121 ASP CB C 121 41.079 41.079 41.588 -0.509 25137 13190 1 19 . 1 1 121 121 ASP H H 121 8.438 8.438 8.080 0.358 25137 13191 1 19 . 1 1 122 122 LYS N N 122 121.450 121.450 123.163 -1.713 25137 13192 1 19 . 1 1 122 122 LYS HA H 122 4.350 4.350 4.460 -0.110 25137 13193 1 19 . 1 1 122 122 LYS C C 122 177.184 177.184 176.377 0.807 25137 13194 1 19 . 1 1 122 122 LYS CA C 122 55.890 55.890 56.029 -0.139 25137 13195 1 19 . 1 1 122 122 LYS CB C 122 33.190 33.190 33.301 -0.112 25137 13196 1 19 . 1 1 122 122 LYS H H 122 8.258 8.258 8.393 -0.135 25137 13197 1 19 . 1 1 123 123 GLU N N 123 123.560 123.560 122.740 0.820 25137 13198 1 19 . 1 1 123 123 GLU HA H 123 4.550 4.550 4.433 0.117 25137 13199 1 19 . 1 1 123 123 GLU CA C 123 54.470 54.470 54.779 -0.309 25137 13200 1 19 . 1 1 123 123 GLU CB C 123 29.640 29.640 29.436 0.204 25137 13201 1 19 . 1 1 123 123 GLU H H 123 8.420 8.420 8.519 -0.099 25137 13202 1 19 . 1 1 124 124 PRO HA H 124 4.384 4.384 4.508 -0.124 25137 13203 1 19 . 1 1 124 124 PRO C C 124 175.770 175.770 175.628 0.142 25137 13204 1 19 . 1 1 124 124 PRO CA C 124 63.350 63.350 62.813 0.537 25137 13205 1 19 . 1 1 124 124 PRO CB C 124 32.300 32.300 30.627 1.673 25137 13206 1 20 . 1 1 2 2 ALA N N 2 123.423 123.423 128.384 -4.961 25137 13207 1 20 . 1 1 2 2 ALA HA H 2 4.357 4.357 4.104 0.253 25137 13208 1 20 . 1 1 2 2 ALA C C 2 177.811 177.811 177.587 0.224 25137 13209 1 20 . 1 1 2 2 ALA CA C 2 52.652 52.652 54.431 -1.779 25137 13210 1 20 . 1 1 2 2 ALA CB C 2 19.488 19.488 19.085 0.403 25137 13211 1 20 . 1 1 2 2 ALA H H 2 7.983 7.983 8.651 -0.668 25137 13212 1 20 . 1 1 3 3 MET N N 3 119.390 119.390 116.136 3.254 25137 13213 1 20 . 1 1 3 3 MET HA H 3 4.482 4.482 4.602 -0.120 25137 13214 1 20 . 1 1 3 3 MET C C 3 176.569 176.569 176.683 -0.114 25137 13215 1 20 . 1 1 3 3 MET CA C 3 55.570 55.570 53.467 2.103 25137 13216 1 20 . 1 1 3 3 MET CB C 3 32.900 32.900 31.492 1.408 25137 13217 1 20 . 1 1 3 3 MET H H 3 8.570 8.570 7.978 0.592 25137 13218 1 20 . 1 1 4 4 GLY N N 4 110.130 110.130 109.566 0.564 25137 13219 1 20 . 1 1 4 4 GLY C C 4 173.630 173.630 173.235 0.395 25137 13220 1 20 . 1 1 4 4 GLY CA C 4 45.270 45.270 46.044 -0.774 25137 13221 1 20 . 1 1 4 4 GLY H H 4 8.370 8.370 7.957 0.413 25137 13222 1 20 . 1 1 5 5 MET N N 5 121.570 121.570 117.258 4.312 25137 13223 1 20 . 1 1 5 5 MET HA H 5 4.780 4.780 4.876 -0.096 25137 13224 1 20 . 1 1 5 5 MET CA C 5 53.630 53.630 52.286 1.344 25137 13225 1 20 . 1 1 5 5 MET CB C 5 33.140 33.140 36.026 -2.886 25137 13226 1 20 . 1 1 5 5 MET H H 5 8.210 8.210 7.622 0.588 25137 13227 1 20 . 1 1 6 6 PRO HA H 6 4.505 4.505 4.534 -0.029 25137 13228 1 20 . 1 1 6 6 PRO C C 6 174.520 174.520 175.707 -1.187 25137 13229 1 20 . 1 1 6 6 PRO CA C 6 62.980 62.980 62.466 0.514 25137 13230 1 20 . 1 1 6 6 PRO CB C 6 32.400 32.400 31.881 0.520 25137 13231 1 20 . 1 1 7 7 LYS N N 7 123.443 123.443 126.559 -3.116 25137 13232 1 20 . 1 1 7 7 LYS HA H 7 5.000 5.000 4.693 0.307 25137 13233 1 20 . 1 1 7 7 LYS C C 7 175.920 175.920 176.041 -0.121 25137 13234 1 20 . 1 1 7 7 LYS CA C 7 54.911 54.911 55.238 -0.327 25137 13235 1 20 . 1 1 7 7 LYS CB C 7 33.635 33.635 32.596 1.039 25137 13236 1 20 . 1 1 7 7 LYS H H 7 9.675 9.675 9.452 0.223 25137 13237 1 20 . 1 1 8 8 VAL N N 8 125.859 125.859 128.090 -2.231 25137 13238 1 20 . 1 1 8 8 VAL HA H 8 4.723 4.723 4.900 -0.177 25137 13239 1 20 . 1 1 8 8 VAL C C 8 174.630 174.630 174.093 0.537 25137 13240 1 20 . 1 1 8 8 VAL CA C 8 59.726 59.726 60.637 -0.911 25137 13241 1 20 . 1 1 8 8 VAL CB C 8 34.991 34.991 32.540 2.451 25137 13242 1 20 . 1 1 8 8 VAL H H 8 8.851 8.851 9.142 -0.291 25137 13243 1 20 . 1 1 9 9 LEU N N 9 127.114 127.114 130.453 -3.339 25137 13244 1 20 . 1 1 9 9 LEU HA H 9 5.190 5.190 4.878 0.312 25137 13245 1 20 . 1 1 9 9 LEU C C 9 174.090 174.090 174.577 -0.487 25137 13246 1 20 . 1 1 9 9 LEU CA C 9 53.090 53.090 52.658 0.431 25137 13247 1 20 . 1 1 9 9 LEU CB C 9 45.007 45.007 42.972 2.035 25137 13248 1 20 . 1 1 9 9 LEU H H 9 7.881 7.881 8.734 -0.853 25137 13249 1 20 . 1 1 10 10 VAL N N 10 128.024 128.024 128.451 -0.427 25137 13250 1 20 . 1 1 10 10 VAL HA H 10 4.647 4.647 4.420 0.227 25137 13251 1 20 . 1 1 10 10 VAL C C 10 172.900 172.900 174.167 -1.267 25137 13252 1 20 . 1 1 10 10 VAL CA C 10 61.206 61.206 62.151 -0.945 25137 13253 1 20 . 1 1 10 10 VAL CB C 10 34.541 34.541 33.087 1.454 25137 13254 1 20 . 1 1 10 10 VAL H H 10 8.952 8.952 9.218 -0.266 25137 13255 1 20 . 1 1 11 11 LEU N N 11 128.979 128.979 130.183 -1.204 25137 13256 1 20 . 1 1 11 11 LEU HA H 11 5.504 5.504 5.238 0.266 25137 13257 1 20 . 1 1 11 11 LEU C C 11 174.450 174.450 175.100 -0.650 25137 13258 1 20 . 1 1 11 11 LEU CA C 11 52.328 52.328 53.173 -0.845 25137 13259 1 20 . 1 1 11 11 LEU CB C 11 45.000 45.000 41.710 3.290 25137 13260 1 20 . 1 1 11 11 LEU H H 11 8.433 8.433 9.259 -0.826 25137 13261 1 20 . 1 1 12 12 GLU N N 12 128.158 128.158 125.505 2.653 25137 13262 1 20 . 1 1 12 12 GLU HA H 12 4.294 4.294 4.571 -0.277 25137 13263 1 20 . 1 1 12 12 GLU C C 12 173.120 173.120 174.625 -1.505 25137 13264 1 20 . 1 1 12 12 GLU CA C 12 56.964 56.964 55.791 1.173 25137 13265 1 20 . 1 1 12 12 GLU CB C 12 32.201 32.201 33.110 -0.909 25137 13266 1 20 . 1 1 12 12 GLU H H 12 8.532 8.532 8.768 -0.236 25137 13267 1 20 . 1 1 13 13 ASP N N 13 123.077 123.077 125.630 -2.553 25137 13268 1 20 . 1 1 13 13 ASP HA H 13 4.659 4.659 4.529 0.130 25137 13269 1 20 . 1 1 13 13 ASP C C 13 176.090 176.090 176.695 -0.605 25137 13270 1 20 . 1 1 13 13 ASP CA C 13 55.140 55.140 55.437 -0.297 25137 13271 1 20 . 1 1 13 13 ASP CB C 13 40.524 40.524 41.407 -0.883 25137 13272 1 20 . 1 1 13 13 ASP H H 13 8.803 8.803 8.734 0.069 25137 13273 1 20 . 1 1 14 14 GLU N N 14 126.685 126.685 120.326 6.359 25137 13274 1 20 . 1 1 14 14 GLU HA H 14 4.809 4.809 4.682 0.127 25137 13275 1 20 . 1 1 14 14 GLU CA C 14 54.574 54.574 53.658 0.916 25137 13276 1 20 . 1 1 14 14 GLU CB C 14 29.310 29.310 29.265 0.045 25137 13277 1 20 . 1 1 14 14 GLU H H 14 10.077 10.077 8.456 1.621 25137 13278 1 20 . 1 1 15 15 PRO HA H 15 4.273 4.273 4.222 0.051 25137 13279 1 20 . 1 1 15 15 PRO C C 15 179.110 179.110 178.017 1.093 25137 13280 1 20 . 1 1 15 15 PRO CA C 15 65.472 65.472 65.781 -0.309 25137 13281 1 20 . 1 1 15 15 PRO CB C 15 32.462 32.462 31.800 0.662 25137 13282 1 20 . 1 1 16 16 LEU N N 16 118.358 118.358 118.527 -0.169 25137 13283 1 20 . 1 1 16 16 LEU HA H 16 4.131 4.131 4.112 0.019 25137 13284 1 20 . 1 1 16 16 LEU C C 16 179.260 179.260 178.586 0.674 25137 13285 1 20 . 1 1 16 16 LEU CA C 16 58.306 58.306 57.731 0.575 25137 13286 1 20 . 1 1 16 16 LEU CB C 16 41.731 41.731 41.764 -0.033 25137 13287 1 20 . 1 1 16 16 LEU H H 16 8.851 8.851 7.832 1.019 25137 13288 1 20 . 1 1 17 17 ILE N N 17 117.680 117.680 119.073 -1.393 25137 13289 1 20 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.629 0.203 25137 13290 1 20 . 1 1 17 17 ILE C C 17 178.230 178.230 177.946 0.284 25137 13291 1 20 . 1 1 17 17 ILE CA C 17 63.344 63.344 64.884 -1.540 25137 13292 1 20 . 1 1 17 17 ILE CB C 17 36.564 36.564 37.458 -0.894 25137 13293 1 20 . 1 1 17 17 ILE H H 17 6.886 6.886 7.448 -0.562 25137 13294 1 20 . 1 1 18 18 ALA N N 18 122.321 122.321 123.178 -0.857 25137 13295 1 20 . 1 1 18 18 ALA HA H 18 3.720 3.720 3.905 -0.185 25137 13296 1 20 . 1 1 18 18 ALA C C 18 178.900 178.900 179.352 -0.452 25137 13297 1 20 . 1 1 18 18 ALA CA C 18 55.890 55.890 55.466 0.424 25137 13298 1 20 . 1 1 18 18 ALA CB C 18 18.165 18.165 18.227 -0.062 25137 13299 1 20 . 1 1 18 18 ALA H H 18 7.988 7.988 8.624 -0.636 25137 13300 1 20 . 1 1 19 19 MET N N 19 115.807 115.807 119.011 -3.204 25137 13301 1 20 . 1 1 19 19 MET HA H 19 3.999 3.999 4.016 -0.017 25137 13302 1 20 . 1 1 19 19 MET C C 19 177.180 177.180 178.230 -1.050 25137 13303 1 20 . 1 1 19 19 MET CA C 19 58.144 58.144 59.359 -1.215 25137 13304 1 20 . 1 1 19 19 MET CB C 19 32.852 32.852 32.801 0.051 25137 13305 1 20 . 1 1 19 19 MET H H 19 8.204 8.204 8.582 -0.378 25137 13306 1 20 . 1 1 20 20 ASN N N 20 117.843 117.843 118.528 -0.685 25137 13307 1 20 . 1 1 20 20 ASN HA H 20 4.545 4.545 4.694 -0.149 25137 13308 1 20 . 1 1 20 20 ASN C C 20 179.590 179.590 178.580 1.010 25137 13309 1 20 . 1 1 20 20 ASN CA C 20 56.222 56.222 56.586 -0.364 25137 13310 1 20 . 1 1 20 20 ASN CB C 20 38.005 38.005 38.940 -0.935 25137 13311 1 20 . 1 1 20 20 ASN H H 20 7.839 7.839 8.131 -0.292 25137 13312 1 20 . 1 1 21 21 LEU N N 21 121.749 121.749 122.061 -0.312 25137 13313 1 20 . 1 1 21 21 LEU HA H 21 4.055 4.055 4.110 -0.055 25137 13314 1 20 . 1 1 21 21 LEU C C 21 177.750 177.750 178.482 -0.732 25137 13315 1 20 . 1 1 21 21 LEU CA C 21 58.268 58.268 58.334 -0.066 25137 13316 1 20 . 1 1 21 21 LEU CB C 21 42.605 42.605 42.029 0.576 25137 13317 1 20 . 1 1 21 21 LEU H H 21 8.601 8.601 8.850 -0.249 25137 13318 1 20 . 1 1 22 22 GLN N N 22 120.991 120.991 119.720 1.271 25137 13319 1 20 . 1 1 22 22 GLN HA H 22 3.935 3.935 3.975 -0.040 25137 13320 1 20 . 1 1 22 22 GLN C C 22 178.070 178.070 178.520 -0.450 25137 13321 1 20 . 1 1 22 22 GLN CA C 22 60.463 60.463 59.543 0.920 25137 13322 1 20 . 1 1 22 22 GLN CB C 22 26.902 26.902 28.602 -1.700 25137 13323 1 20 . 1 1 22 22 GLN H H 22 8.749 8.749 8.431 0.318 25137 13324 1 20 . 1 1 23 23 TYR N N 23 117.446 117.446 118.670 -1.224 25137 13325 1 20 . 1 1 23 23 TYR HA H 23 4.517 4.517 4.396 0.121 25137 13326 1 20 . 1 1 23 23 TYR C C 23 178.210 178.210 178.305 -0.095 25137 13327 1 20 . 1 1 23 23 TYR CA C 23 59.425 59.425 61.096 -1.671 25137 13328 1 20 . 1 1 23 23 TYR CB C 23 36.975 36.975 37.936 -0.961 25137 13329 1 20 . 1 1 23 23 TYR H H 23 8.450 8.450 8.707 -0.257 25137 13330 1 20 . 1 1 24 24 ALA N N 24 121.627 121.627 122.896 -1.269 25137 13331 1 20 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.008 0.092 25137 13332 1 20 . 1 1 24 24 ALA C C 24 180.910 180.910 179.262 1.648 25137 13333 1 20 . 1 1 24 24 ALA CA C 24 55.060 55.060 54.920 0.140 25137 13334 1 20 . 1 1 24 24 ALA CB C 24 18.070 18.070 18.026 0.044 25137 13335 1 20 . 1 1 24 24 ALA H H 24 7.765 7.765 7.808 -0.043 25137 13336 1 20 . 1 1 25 25 PHE N N 25 115.589 115.589 117.751 -2.162 25137 13337 1 20 . 1 1 25 25 PHE HA H 25 3.940 3.940 4.118 -0.178 25137 13338 1 20 . 1 1 25 25 PHE C C 25 179.090 179.090 178.477 0.613 25137 13339 1 20 . 1 1 25 25 PHE CA C 25 63.453 63.453 62.477 0.976 25137 13340 1 20 . 1 1 25 25 PHE CB C 25 39.484 39.484 38.879 0.605 25137 13341 1 20 . 1 1 25 25 PHE H H 25 8.348 8.348 8.583 -0.235 25137 13342 1 20 . 1 1 26 26 GLU N N 26 121.198 121.198 119.476 1.722 25137 13343 1 20 . 1 1 26 26 GLU HA H 26 4.429 4.429 4.331 0.098 25137 13344 1 20 . 1 1 26 26 GLU C C 26 181.680 181.680 178.697 2.983 25137 13345 1 20 . 1 1 26 26 GLU CA C 26 59.737 59.737 58.815 0.922 25137 13346 1 20 . 1 1 26 26 GLU CB C 26 28.925 28.925 29.464 -0.539 25137 13347 1 20 . 1 1 26 26 GLU H H 26 8.822 8.822 8.509 0.313 25137 13348 1 20 . 1 1 27 27 ASP N N 27 121.846 121.846 118.567 3.279 25137 13349 1 20 . 1 1 27 27 ASP HA H 27 4.468 4.468 4.484 -0.016 25137 13350 1 20 . 1 1 27 27 ASP C C 27 177.880 177.880 178.164 -0.284 25137 13351 1 20 . 1 1 27 27 ASP CA C 27 56.996 56.996 56.621 0.374 25137 13352 1 20 . 1 1 27 27 ASP CB C 27 40.640 40.640 41.041 -0.401 25137 13353 1 20 . 1 1 27 27 ASP H H 27 8.424 8.424 7.992 0.432 25137 13354 1 20 . 1 1 28 28 GLU N N 28 115.759 115.759 116.224 -0.465 25137 13355 1 20 . 1 1 28 28 GLU HA H 28 4.331 4.331 4.388 -0.057 25137 13356 1 20 . 1 1 28 28 GLU C C 28 176.460 176.460 177.045 -0.585 25137 13357 1 20 . 1 1 28 28 GLU CA C 28 55.395 55.395 56.092 -0.697 25137 13358 1 20 . 1 1 28 28 GLU CB C 28 30.264 30.264 30.136 0.128 25137 13359 1 20 . 1 1 28 28 GLU H H 28 7.170 7.170 7.672 -0.502 25137 13360 1 20 . 1 1 29 29 GLY N N 29 106.899 106.899 107.360 -0.461 25137 13361 1 20 . 1 1 29 29 GLY C C 29 173.160 173.160 172.843 0.317 25137 13362 1 20 . 1 1 29 29 GLY CA C 29 45.589 45.589 45.232 0.357 25137 13363 1 20 . 1 1 29 29 GLY H H 29 7.889 7.889 7.771 0.118 25137 13364 1 20 . 1 1 30 30 ALA N N 30 121.007 121.007 120.970 0.037 25137 13365 1 20 . 1 1 30 30 ALA HA H 30 4.680 4.680 5.126 -0.446 25137 13366 1 20 . 1 1 30 30 ALA C C 30 175.880 175.880 175.109 0.771 25137 13367 1 20 . 1 1 30 30 ALA CA C 30 50.666 50.666 50.768 -0.102 25137 13368 1 20 . 1 1 30 30 ALA CB C 30 21.882 21.882 22.223 -0.341 25137 13369 1 20 . 1 1 30 30 ALA H H 30 7.743 7.743 7.627 0.116 25137 13370 1 20 . 1 1 31 31 GLU N N 31 120.065 120.065 119.473 0.592 25137 13371 1 20 . 1 1 31 31 GLU HA H 31 4.664 4.664 4.793 -0.129 25137 13372 1 20 . 1 1 31 31 GLU C C 31 175.430 175.430 174.576 0.854 25137 13373 1 20 . 1 1 31 31 GLU CA C 31 55.136 55.136 54.627 0.509 25137 13374 1 20 . 1 1 31 31 GLU CB C 31 32.126 32.126 32.560 -0.434 25137 13375 1 20 . 1 1 31 31 GLU H H 31 8.595 8.595 8.467 0.128 25137 13376 1 20 . 1 1 32 32 VAL N N 32 123.414 123.414 124.591 -1.177 25137 13377 1 20 . 1 1 32 32 VAL HA H 32 4.787 4.787 4.909 -0.122 25137 13378 1 20 . 1 1 32 32 VAL C C 32 175.290 175.290 175.620 -0.330 25137 13379 1 20 . 1 1 32 32 VAL CA C 32 60.802 60.802 60.500 0.302 25137 13380 1 20 . 1 1 32 32 VAL CB C 32 34.991 34.991 33.969 1.022 25137 13381 1 20 . 1 1 32 32 VAL H H 32 8.872 8.872 8.446 0.426 25137 13382 1 20 . 1 1 33 33 VAL N N 33 128.158 128.158 127.942 0.216 25137 13383 1 20 . 1 1 33 33 VAL HA H 33 4.226 4.226 4.348 -0.122 25137 13384 1 20 . 1 1 33 33 VAL C C 33 173.830 173.830 174.574 -0.744 25137 13385 1 20 . 1 1 33 33 VAL CA C 33 60.990 60.990 61.063 -0.073 25137 13386 1 20 . 1 1 33 33 VAL CB C 33 33.736 33.736 33.774 -0.038 25137 13387 1 20 . 1 1 33 33 VAL H H 33 9.042 9.042 9.127 -0.085 25137 13388 1 20 . 1 1 34 34 VAL N N 34 126.239 126.239 127.226 -0.987 25137 13389 1 20 . 1 1 34 34 VAL HA H 34 4.751 4.751 4.436 0.315 25137 13390 1 20 . 1 1 34 34 VAL C C 34 175.100 175.100 175.144 -0.044 25137 13391 1 20 . 1 1 34 34 VAL CA C 34 61.389 61.389 61.492 -0.103 25137 13392 1 20 . 1 1 34 34 VAL CB C 34 33.193 33.193 32.373 0.820 25137 13393 1 20 . 1 1 34 34 VAL H H 34 8.522 8.522 8.515 0.007 25137 13394 1 20 . 1 1 35 35 ALA N N 35 129.955 129.955 129.737 0.218 25137 13395 1 20 . 1 1 35 35 ALA HA H 35 4.682 4.682 5.001 -0.319 25137 13396 1 20 . 1 1 35 35 ALA C C 35 174.380 174.380 175.582 -1.202 25137 13397 1 20 . 1 1 35 35 ALA CA C 35 50.154 50.154 49.916 0.238 25137 13398 1 20 . 1 1 35 35 ALA CB C 35 22.922 22.922 22.900 0.022 25137 13399 1 20 . 1 1 35 35 ALA H H 35 9.388 9.388 8.903 0.485 25137 13400 1 20 . 1 1 36 36 ALA N N 36 121.011 121.011 124.197 -3.186 25137 13401 1 20 . 1 1 36 36 ALA HA H 36 4.632 4.632 4.934 -0.302 25137 13402 1 20 . 1 1 36 36 ALA C C 36 176.490 176.490 177.200 -0.710 25137 13403 1 20 . 1 1 36 36 ALA CA C 36 51.778 51.778 52.297 -0.520 25137 13404 1 20 . 1 1 36 36 ALA CB C 36 21.506 21.506 20.408 1.098 25137 13405 1 20 . 1 1 36 36 ALA H H 36 8.539 8.539 9.911 -1.372 25137 13406 1 20 . 1 1 37 37 THR N N 37 102.880 102.880 108.840 -5.960 25137 13407 1 20 . 1 1 37 37 THR HA H 37 4.620 4.620 4.647 -0.027 25137 13408 1 20 . 1 1 37 37 THR C C 37 174.710 174.710 175.378 -0.668 25137 13409 1 20 . 1 1 37 37 THR CA C 37 57.520 57.520 59.389 -1.869 25137 13410 1 20 . 1 1 37 37 THR CB C 37 72.972 72.972 71.777 1.195 25137 13411 1 20 . 1 1 37 37 THR H H 37 7.019 7.019 7.611 -0.592 25137 13412 1 20 . 1 1 38 38 CYS N N 38 120.553 120.553 119.945 0.608 25137 13413 1 20 . 1 1 38 38 CYS HA H 38 3.677 3.677 4.191 -0.514 25137 13414 1 20 . 1 1 38 38 CYS C C 38 176.020 176.020 176.938 -0.918 25137 13415 1 20 . 1 1 38 38 CYS CA C 38 63.179 63.179 62.874 0.305 25137 13416 1 20 . 1 1 38 38 CYS CB C 38 26.317 26.317 27.459 -1.141 25137 13417 1 20 . 1 1 38 38 CYS H H 38 9.398 9.398 8.810 0.588 25137 13418 1 20 . 1 1 39 39 GLU N N 39 118.521 118.521 120.767 -2.246 25137 13419 1 20 . 1 1 39 39 GLU HA H 39 3.829 3.829 3.960 -0.131 25137 13420 1 20 . 1 1 39 39 GLU C C 39 179.470 179.470 179.157 0.313 25137 13421 1 20 . 1 1 39 39 GLU CA C 39 60.594 60.594 59.767 0.827 25137 13422 1 20 . 1 1 39 39 GLU CB C 39 28.963 28.963 29.296 -0.333 25137 13423 1 20 . 1 1 39 39 GLU H H 39 8.960 8.960 8.582 0.378 25137 13424 1 20 . 1 1 40 40 GLN N N 40 118.602 118.602 118.677 -0.075 25137 13425 1 20 . 1 1 40 40 GLN HA H 40 4.021 4.021 3.944 0.077 25137 13426 1 20 . 1 1 40 40 GLN C C 40 176.211 176.211 178.248 -2.037 25137 13427 1 20 . 1 1 40 40 GLN CA C 40 58.306 58.306 58.980 -0.674 25137 13428 1 20 . 1 1 40 40 GLN CB C 40 28.925 28.925 28.489 0.436 25137 13429 1 20 . 1 1 40 40 GLN H H 40 7.855 7.855 8.231 -0.376 25137 13430 1 20 . 1 1 41 41 ALA N N 41 122.395 122.395 123.259 -0.864 25137 13431 1 20 . 1 1 41 41 ALA HA H 41 3.735 3.735 3.993 -0.258 25137 13432 1 20 . 1 1 41 41 ALA C C 41 178.440 178.440 179.372 -0.932 25137 13433 1 20 . 1 1 41 41 ALA CA C 41 55.178 55.178 55.104 0.074 25137 13434 1 20 . 1 1 41 41 ALA CB C 41 19.872 19.872 18.365 1.507 25137 13435 1 20 . 1 1 41 41 ALA H H 41 8.009 8.009 7.383 0.626 25137 13436 1 20 . 1 1 42 42 LEU N N 42 116.832 116.832 119.532 -2.700 25137 13437 1 20 . 1 1 42 42 LEU HA H 42 3.875 3.875 3.888 -0.013 25137 13438 1 20 . 1 1 42 42 LEU C C 42 180.080 180.080 179.028 1.052 25137 13439 1 20 . 1 1 42 42 LEU CA C 42 58.011 58.011 58.113 -0.102 25137 13440 1 20 . 1 1 42 42 LEU CB C 42 40.961 40.961 41.064 -0.103 25137 13441 1 20 . 1 1 42 42 LEU H H 42 8.497 8.497 8.302 0.195 25137 13442 1 20 . 1 1 43 43 LYS N N 43 121.087 121.087 119.887 1.200 25137 13443 1 20 . 1 1 43 43 LYS HA H 43 4.065 4.065 3.870 0.195 25137 13444 1 20 . 1 1 43 43 LYS C C 43 178.500 178.500 178.827 -0.327 25137 13445 1 20 . 1 1 43 43 LYS CA C 43 59.256 59.256 59.943 -0.687 25137 13446 1 20 . 1 1 43 43 LYS CB C 43 32.295 32.295 32.336 -0.041 25137 13447 1 20 . 1 1 43 43 LYS H H 43 7.593 7.593 8.392 -0.799 25137 13448 1 20 . 1 1 44 44 SER N N 44 115.150 115.150 116.210 -1.060 25137 13449 1 20 . 1 1 44 44 SER HA H 44 4.130 4.130 4.172 -0.042 25137 13450 1 20 . 1 1 44 44 SER C C 44 176.430 176.430 176.850 -0.420 25137 13451 1 20 . 1 1 44 44 SER CA C 44 62.900 62.900 61.910 0.990 25137 13452 1 20 . 1 1 44 44 SER CB C 44 62.900 62.900 62.993 -0.093 25137 13453 1 20 . 1 1 44 44 SER H H 44 8.100 8.100 7.932 0.168 25137 13454 1 20 . 1 1 45 45 LEU N N 45 120.050 120.050 120.931 -0.881 25137 13455 1 20 . 1 1 45 45 LEU HA H 45 4.121 4.121 4.072 0.049 25137 13456 1 20 . 1 1 45 45 LEU C C 45 177.260 177.260 178.417 -1.157 25137 13457 1 20 . 1 1 45 45 LEU CA C 45 56.770 56.770 57.655 -0.885 25137 13458 1 20 . 1 1 45 45 LEU CB C 45 42.389 42.389 41.834 0.555 25137 13459 1 20 . 1 1 45 45 LEU H H 45 8.050 8.050 8.595 -0.545 25137 13460 1 20 . 1 1 46 46 ALA N N 46 119.940 119.940 120.550 -0.610 25137 13461 1 20 . 1 1 46 46 ALA HA H 46 4.093 4.093 4.156 -0.063 25137 13462 1 20 . 1 1 46 46 ALA C C 46 179.310 179.310 178.612 0.698 25137 13463 1 20 . 1 1 46 46 ALA CA C 46 54.126 54.126 54.251 -0.125 25137 13464 1 20 . 1 1 46 46 ALA CB C 46 18.412 18.412 18.657 -0.245 25137 13465 1 20 . 1 1 46 46 ALA H H 46 7.360 7.360 7.597 -0.237 25137 13466 1 20 . 1 1 47 47 ASP N N 47 115.277 115.277 117.488 -2.211 25137 13467 1 20 . 1 1 47 47 ASP HA H 47 4.610 4.610 4.625 -0.015 25137 13468 1 20 . 1 1 47 47 ASP C C 47 175.930 175.930 176.244 -0.314 25137 13469 1 20 . 1 1 47 47 ASP CA C 47 55.087 55.087 54.924 0.163 25137 13470 1 20 . 1 1 47 47 ASP CB C 47 42.364 42.364 42.024 0.340 25137 13471 1 20 . 1 1 47 47 ASP H H 47 7.583 7.583 8.191 -0.608 25137 13472 1 20 . 1 1 48 48 ASN N N 48 116.977 116.977 116.176 0.801 25137 13473 1 20 . 1 1 48 48 ASN HA H 48 5.219 5.219 5.062 0.157 25137 13474 1 20 . 1 1 48 48 ASN CA C 48 51.096 51.096 51.230 -0.134 25137 13475 1 20 . 1 1 48 48 ASN CB C 48 42.381 42.381 40.542 1.839 25137 13476 1 20 . 1 1 48 48 ASN H H 48 7.727 7.727 7.875 -0.148 25137 13477 1 20 . 1 1 49 49 PRO HA H 49 4.551 4.551 4.636 -0.085 25137 13478 1 20 . 1 1 49 49 PRO C C 49 174.890 174.890 175.449 -0.559 25137 13479 1 20 . 1 1 49 49 PRO CA C 49 62.093 62.093 62.261 -0.168 25137 13480 1 20 . 1 1 49 49 PRO CB C 49 29.940 29.940 31.132 -1.192 25137 13481 1 20 . 1 1 50 50 ILE N N 50 122.280 122.280 123.354 -1.074 25137 13482 1 20 . 1 1 50 50 ILE HA H 50 3.908 3.908 3.986 -0.078 25137 13483 1 20 . 1 1 50 50 ILE C C 50 174.840 174.840 176.551 -1.711 25137 13484 1 20 . 1 1 50 50 ILE CA C 50 58.580 58.580 60.838 -2.258 25137 13485 1 20 . 1 1 50 50 ILE CB C 50 38.850 38.850 37.122 1.728 25137 13486 1 20 . 1 1 50 50 ILE H H 50 7.420 7.420 7.987 -0.567 25137 13487 1 20 . 1 1 51 51 ASP N N 51 123.770 123.770 127.582 -3.812 25137 13488 1 20 . 1 1 51 51 ASP HA H 51 4.749 4.749 4.597 0.152 25137 13489 1 20 . 1 1 51 51 ASP C C 51 175.114 175.114 175.972 -0.858 25137 13490 1 20 . 1 1 51 51 ASP CA C 51 56.930 56.930 56.112 0.818 25137 13491 1 20 . 1 1 51 51 ASP CB C 51 44.360 44.360 43.239 1.121 25137 13492 1 20 . 1 1 51 51 ASP H H 51 9.310 9.310 8.804 0.506 25137 13493 1 20 . 1 1 52 52 VAL N N 52 114.454 114.454 117.524 -3.070 25137 13494 1 20 . 1 1 52 52 VAL HA H 52 4.874 4.874 4.925 -0.051 25137 13495 1 20 . 1 1 52 52 VAL C C 52 171.129 171.129 173.034 -1.905 25137 13496 1 20 . 1 1 52 52 VAL CA C 52 59.850 59.850 60.179 -0.329 25137 13497 1 20 . 1 1 52 52 VAL CB C 52 32.980 32.980 35.799 -2.819 25137 13498 1 20 . 1 1 52 52 VAL H H 52 7.580 7.580 7.597 -0.017 25137 13499 1 20 . 1 1 53 53 ALA N N 53 124.620 124.620 125.874 -1.254 25137 13500 1 20 . 1 1 53 53 ALA HA H 53 5.665 5.665 5.345 0.320 25137 13501 1 20 . 1 1 53 53 ALA C C 53 175.100 175.100 175.144 -0.044 25137 13502 1 20 . 1 1 53 53 ALA CA C 53 49.810 49.810 50.250 -0.440 25137 13503 1 20 . 1 1 53 53 ALA CB C 53 25.750 25.750 22.836 2.914 25137 13504 1 20 . 1 1 53 53 ALA H H 53 7.780 7.780 8.487 -0.707 25137 13505 1 20 . 1 1 54 54 VAL N N 54 118.950 118.950 116.856 2.094 25137 13506 1 20 . 1 1 54 54 VAL HA H 54 4.647 4.647 5.175 -0.528 25137 13507 1 20 . 1 1 54 54 VAL C C 54 174.020 174.020 174.079 -0.059 25137 13508 1 20 . 1 1 54 54 VAL CA C 54 61.580 61.580 60.478 1.102 25137 13509 1 20 . 1 1 54 54 VAL CB C 54 34.320 34.320 33.506 0.814 25137 13510 1 20 . 1 1 54 54 VAL H H 54 8.730 8.730 8.927 -0.197 25137 13511 1 20 . 1 1 55 55 LEU N N 55 124.820 124.820 128.586 -3.766 25137 13512 1 20 . 1 1 55 55 LEU HA H 55 4.953 4.953 4.702 0.251 25137 13513 1 20 . 1 1 55 55 LEU C C 55 176.110 176.110 175.369 0.741 25137 13514 1 20 . 1 1 55 55 LEU CA C 55 53.540 53.540 53.963 -0.423 25137 13515 1 20 . 1 1 55 55 LEU CB C 55 42.690 42.690 43.638 -0.948 25137 13516 1 20 . 1 1 55 55 LEU H H 55 9.240 9.240 9.364 -0.124 25137 13517 1 20 . 1 1 56 56 ASP N N 56 124.220 124.220 124.684 -0.464 25137 13518 1 20 . 1 1 56 56 ASP HA H 56 5.629 5.629 4.930 0.699 25137 13519 1 20 . 1 1 56 56 ASP C C 56 174.460 174.460 176.871 -2.411 25137 13520 1 20 . 1 1 56 56 ASP CA C 56 52.930 52.930 52.720 0.210 25137 13521 1 20 . 1 1 56 56 ASP CB C 56 43.400 43.400 41.941 1.458 25137 13522 1 20 . 1 1 56 56 ASP H H 56 8.360 8.360 8.721 -0.361 25137 13523 1 20 . 1 1 57 57 VAL N N 57 119.581 119.581 125.420 -5.839 25137 13524 1 20 . 1 1 57 57 VAL HA H 57 4.239 4.239 3.758 0.481 25137 13525 1 20 . 1 1 57 57 VAL C C 57 175.480 175.480 176.319 -0.839 25137 13526 1 20 . 1 1 57 57 VAL CA C 57 64.564 64.564 64.455 0.109 25137 13527 1 20 . 1 1 57 57 VAL CB C 57 32.520 32.520 31.533 0.987 25137 13528 1 20 . 1 1 57 57 VAL H H 57 7.022 7.022 8.543 -1.521 25137 13529 1 20 . 1 1 58 58 ASN N N 58 114.490 114.490 117.658 -3.168 25137 13530 1 20 . 1 1 58 58 ASN HA H 58 4.693 4.693 4.827 -0.134 25137 13531 1 20 . 1 1 58 58 ASN C C 58 173.400 173.400 176.068 -2.668 25137 13532 1 20 . 1 1 58 58 ASN CA C 58 53.570 53.570 52.060 1.510 25137 13533 1 20 . 1 1 58 58 ASN CB C 58 38.820 38.820 38.082 0.738 25137 13534 1 20 . 1 1 58 58 ASN H H 58 8.600 8.600 8.406 0.194 25137 13535 1 20 . 1 1 59 59 LEU N N 59 130.670 130.670 119.882 10.788 25137 13536 1 20 . 1 1 59 59 LEU HA H 59 4.647 4.647 4.139 0.508 25137 13537 1 20 . 1 1 59 59 LEU C C 59 175.340 175.340 177.642 -2.302 25137 13538 1 20 . 1 1 59 59 LEU CA C 59 53.550 53.550 56.580 -3.030 25137 13539 1 20 . 1 1 59 59 LEU CB C 59 41.430 41.430 42.267 -0.837 25137 13540 1 20 . 1 1 59 59 LEU H H 59 8.260 8.260 7.791 0.469 25137 13541 1 20 . 1 1 60 60 GLY N N 60 109.030 109.030 102.917 6.113 25137 13542 1 20 . 1 1 60 60 GLY CA C 60 44.610 44.610 44.915 -0.305 25137 13543 1 20 . 1 1 60 60 GLY H H 60 7.860 7.860 7.776 0.084 25137 13544 1 20 . 1 1 61 61 PRO HA H 61 4.385 4.385 4.251 0.134 25137 13545 1 20 . 1 1 61 61 PRO C C 61 177.960 177.960 178.144 -0.184 25137 13546 1 20 . 1 1 61 61 PRO CA C 61 64.888 64.888 65.528 -0.640 25137 13547 1 20 . 1 1 61 61 PRO CB C 61 32.070 32.070 32.310 -0.240 25137 13548 1 20 . 1 1 62 62 LYS N N 62 115.984 115.984 113.726 2.258 25137 13549 1 20 . 1 1 62 62 LYS HA H 62 4.524 4.524 4.572 -0.048 25137 13550 1 20 . 1 1 62 62 LYS C C 62 175.810 175.810 176.573 -0.763 25137 13551 1 20 . 1 1 62 62 LYS CA C 62 55.444 55.444 56.520 -1.076 25137 13552 1 20 . 1 1 62 62 LYS CB C 62 33.216 33.216 33.061 0.155 25137 13553 1 20 . 1 1 62 62 LYS H H 62 8.625 8.625 7.982 0.643 25137 13554 1 20 . 1 1 63 63 SER N N 63 113.432 113.432 115.967 -2.535 25137 13555 1 20 . 1 1 63 63 SER HA H 63 4.609 4.609 4.297 0.312 25137 13556 1 20 . 1 1 63 63 SER C C 63 172.560 172.560 173.318 -0.758 25137 13557 1 20 . 1 1 63 63 SER CA C 63 57.715 57.715 59.156 -1.441 25137 13558 1 20 . 1 1 63 63 SER CB C 63 64.866 64.866 63.208 1.658 25137 13559 1 20 . 1 1 63 63 SER H H 63 7.389 7.389 8.072 -0.683 25137 13560 1 20 . 1 1 64 64 HIS N N 64 122.580 122.580 119.165 3.415 25137 13561 1 20 . 1 1 64 64 HIS HA H 64 5.833 5.833 5.088 0.745 25137 13562 1 20 . 1 1 64 64 HIS C C 64 176.210 176.210 174.986 1.224 25137 13563 1 20 . 1 1 64 64 HIS CA C 64 54.006 54.006 53.856 0.150 25137 13564 1 20 . 1 1 64 64 HIS CB C 64 34.092 34.092 33.201 0.891 25137 13565 1 20 . 1 1 64 64 HIS H H 64 7.762 7.762 8.010 -0.248 25137 13566 1 20 . 1 1 65 65 CYS N N 65 111.478 111.478 121.702 -10.224 25137 13567 1 20 . 1 1 65 65 CYS HA H 65 4.342 4.342 4.557 -0.215 25137 13568 1 20 . 1 1 65 65 CYS C C 65 175.881 175.881 174.825 1.056 25137 13569 1 20 . 1 1 65 65 CYS CA C 65 57.980 57.980 58.021 -0.041 25137 13570 1 20 . 1 1 65 65 CYS CB C 65 29.790 29.790 26.586 3.204 25137 13571 1 20 . 1 1 65 65 CYS H H 65 7.946 7.946 8.287 -0.341 25137 13572 1 20 . 1 1 66 66 GLY N N 66 120.340 120.340 113.168 7.172 25137 13573 1 20 . 1 1 66 66 GLY CA C 66 48.880 48.880 46.005 2.875 25137 13574 1 20 . 1 1 66 66 GLY H H 66 11.290 11.290 8.102 3.188 25137 13575 1 20 . 1 1 67 67 PRO HA H 67 4.386 4.386 4.236 0.150 25137 13576 1 20 . 1 1 67 67 PRO C C 67 179.860 179.860 178.173 1.687 25137 13577 1 20 . 1 1 67 67 PRO CA C 67 65.388 65.388 65.692 -0.304 25137 13578 1 20 . 1 1 67 67 PRO CB C 67 32.970 32.970 31.338 1.632 25137 13579 1 20 . 1 1 68 68 VAL N N 68 116.564 116.564 116.720 -0.156 25137 13580 1 20 . 1 1 68 68 VAL HA H 68 3.494 3.494 3.583 -0.089 25137 13581 1 20 . 1 1 68 68 VAL C C 68 176.350 176.350 177.465 -1.115 25137 13582 1 20 . 1 1 68 68 VAL CA C 68 64.839 64.839 66.031 -1.192 25137 13583 1 20 . 1 1 68 68 VAL CB C 68 31.396 31.396 31.217 0.179 25137 13584 1 20 . 1 1 68 68 VAL H H 68 7.471 7.471 7.960 -0.489 25137 13585 1 20 . 1 1 69 69 ALA N N 69 122.825 122.825 122.915 -0.090 25137 13586 1 20 . 1 1 69 69 ALA HA H 69 3.085 3.085 3.318 -0.233 25137 13587 1 20 . 1 1 69 69 ALA C C 69 179.280 179.280 178.909 0.371 25137 13588 1 20 . 1 1 69 69 ALA CA C 69 55.209 55.209 55.129 0.080 25137 13589 1 20 . 1 1 69 69 ALA CB C 69 18.141 18.141 18.146 -0.005 25137 13590 1 20 . 1 1 69 69 ALA H H 69 7.880 7.880 7.647 0.233 25137 13591 1 20 . 1 1 70 70 ASP N N 70 116.269 116.269 119.032 -2.763 25137 13592 1 20 . 1 1 70 70 ASP HA H 70 4.314 4.314 4.280 0.034 25137 13593 1 20 . 1 1 70 70 ASP C C 70 178.300 178.300 178.022 0.278 25137 13594 1 20 . 1 1 70 70 ASP CA C 70 57.530 57.530 57.700 -0.170 25137 13595 1 20 . 1 1 70 70 ASP CB C 70 40.582 40.582 40.825 -0.243 25137 13596 1 20 . 1 1 70 70 ASP H H 70 8.316 8.316 7.922 0.394 25137 13597 1 20 . 1 1 71 71 ALA N N 71 122.771 122.771 122.300 0.471 25137 13598 1 20 . 1 1 71 71 ALA HA H 71 4.045 4.045 4.010 0.035 25137 13599 1 20 . 1 1 71 71 ALA C C 71 180.700 180.700 179.929 0.771 25137 13600 1 20 . 1 1 71 71 ALA CA C 71 55.062 55.062 55.085 -0.023 25137 13601 1 20 . 1 1 71 71 ALA CB C 71 18.675 18.675 18.311 0.364 25137 13602 1 20 . 1 1 71 71 ALA H H 71 7.156 7.156 8.046 -0.890 25137 13603 1 20 . 1 1 72 72 LEU N N 72 119.021 119.021 117.931 1.090 25137 13604 1 20 . 1 1 72 72 LEU HA H 72 3.824 3.824 3.868 -0.044 25137 13605 1 20 . 1 1 72 72 LEU C C 72 179.560 179.560 179.400 0.160 25137 13606 1 20 . 1 1 72 72 LEU CA C 72 58.351 58.351 57.467 0.884 25137 13607 1 20 . 1 1 72 72 LEU CB C 72 40.437 40.437 41.258 -0.821 25137 13608 1 20 . 1 1 72 72 LEU H H 72 8.250 8.250 7.813 0.437 25137 13609 1 20 . 1 1 73 73 LYS N N 73 120.087 120.087 119.582 0.505 25137 13610 1 20 . 1 1 73 73 LYS HA H 73 4.431 4.431 4.180 0.251 25137 13611 1 20 . 1 1 73 73 LYS C C 73 181.310 181.310 180.230 1.080 25137 13612 1 20 . 1 1 73 73 LYS CA C 73 59.307 59.307 58.937 0.370 25137 13613 1 20 . 1 1 73 73 LYS CB C 73 32.404 32.404 31.655 0.749 25137 13614 1 20 . 1 1 73 73 LYS H H 73 8.383 8.383 8.280 0.103 25137 13615 1 20 . 1 1 74 74 GLN N N 74 118.982 118.982 119.012 -0.030 25137 13616 1 20 . 1 1 74 74 GLN HA H 74 4.074 4.074 4.133 -0.059 25137 13617 1 20 . 1 1 74 74 GLN C C 74 177.620 177.620 177.835 -0.215 25137 13618 1 20 . 1 1 74 74 GLN CA C 74 58.834 58.834 58.410 0.424 25137 13619 1 20 . 1 1 74 74 GLN CB C 74 28.505 28.505 28.640 -0.136 25137 13620 1 20 . 1 1 74 74 GLN H H 74 8.015 8.015 8.438 -0.423 25137 13621 1 20 . 1 1 75 75 ARG N N 75 116.770 116.770 116.207 0.563 25137 13622 1 20 . 1 1 75 75 ARG HA H 75 4.272 4.272 4.430 -0.158 25137 13623 1 20 . 1 1 75 75 ARG C C 75 174.310 174.310 175.142 -0.832 25137 13624 1 20 . 1 1 75 75 ARG CA C 75 55.950 55.950 55.312 0.638 25137 13625 1 20 . 1 1 75 75 ARG CB C 75 31.780 31.780 30.311 1.469 25137 13626 1 20 . 1 1 75 75 ARG H H 75 7.240 7.240 7.461 -0.221 25137 13627 1 20 . 1 1 76 76 ALA N N 76 122.020 122.020 120.375 1.645 25137 13628 1 20 . 1 1 76 76 ALA HA H 76 4.050 4.050 4.036 0.014 25137 13629 1 20 . 1 1 76 76 ALA C C 76 176.240 176.240 176.814 -0.574 25137 13630 1 20 . 1 1 76 76 ALA CA C 76 53.170 53.170 52.775 0.395 25137 13631 1 20 . 1 1 76 76 ALA CB C 76 16.650 16.650 17.114 -0.464 25137 13632 1 20 . 1 1 76 76 ALA H H 76 8.065 8.065 7.412 0.653 25137 13633 1 20 . 1 1 77 77 ILE N N 77 122.300 122.300 119.732 2.568 25137 13634 1 20 . 1 1 77 77 ILE HA H 77 4.502 4.502 4.333 0.169 25137 13635 1 20 . 1 1 77 77 ILE CA C 77 58.610 58.610 58.822 -0.212 25137 13636 1 20 . 1 1 77 77 ILE CB C 77 40.000 40.000 38.525 1.475 25137 13637 1 20 . 1 1 77 77 ILE H H 77 8.080 8.080 8.122 -0.042 25137 13638 1 20 . 1 1 78 78 PRO HA H 78 4.454 4.454 4.592 -0.138 25137 13639 1 20 . 1 1 78 78 PRO C C 78 174.680 174.680 175.500 -0.820 25137 13640 1 20 . 1 1 78 78 PRO CA C 78 62.622 62.622 62.751 -0.129 25137 13641 1 20 . 1 1 78 78 PRO CB C 78 32.772 32.772 32.126 0.646 25137 13642 1 20 . 1 1 79 79 PHE N N 79 109.800 109.800 116.708 -6.908 25137 13643 1 20 . 1 1 79 79 PHE HA H 79 5.656 5.656 5.480 0.176 25137 13644 1 20 . 1 1 79 79 PHE C C 79 172.780 172.780 173.492 -0.712 25137 13645 1 20 . 1 1 79 79 PHE CA C 79 55.612 55.612 55.713 -0.101 25137 13646 1 20 . 1 1 79 79 PHE CB C 79 42.181 42.181 42.386 -0.205 25137 13647 1 20 . 1 1 79 79 PHE H H 79 7.463 7.463 7.945 -0.482 25137 13648 1 20 . 1 1 80 80 ILE N N 80 114.746 114.746 119.960 -5.214 25137 13649 1 20 . 1 1 80 80 ILE HA H 80 4.545 4.545 4.584 -0.039 25137 13650 1 20 . 1 1 80 80 ILE C C 80 174.750 174.750 175.149 -0.399 25137 13651 1 20 . 1 1 80 80 ILE CA C 80 58.914 58.914 59.728 -0.814 25137 13652 1 20 . 1 1 80 80 ILE CB C 80 43.079 43.079 42.269 0.810 25137 13653 1 20 . 1 1 80 80 ILE H H 80 8.024 8.024 8.555 -0.531 25137 13654 1 20 . 1 1 81 81 LEU N N 81 124.450 124.450 126.537 -2.087 25137 13655 1 20 . 1 1 81 81 LEU HA H 81 5.470 5.470 5.129 0.341 25137 13656 1 20 . 1 1 81 81 LEU C C 81 175.620 175.620 176.344 -0.724 25137 13657 1 20 . 1 1 81 81 LEU CA C 81 53.345 53.345 53.326 0.019 25137 13658 1 20 . 1 1 81 81 LEU CB C 81 43.304 43.304 39.969 3.335 25137 13659 1 20 . 1 1 81 81 LEU H H 81 8.935 8.935 9.120 -0.185 25137 13660 1 20 . 1 1 82 82 HIS N N 82 126.167 126.167 126.714 -0.547 25137 13661 1 20 . 1 1 82 82 HIS HA H 82 5.880 5.880 5.284 0.596 25137 13662 1 20 . 1 1 82 82 HIS C C 82 172.730 172.730 174.419 -1.689 25137 13663 1 20 . 1 1 82 82 HIS CA C 82 52.947 52.947 54.423 -1.476 25137 13664 1 20 . 1 1 82 82 HIS CB C 82 31.171 31.171 29.852 1.319 25137 13665 1 20 . 1 1 82 82 HIS H H 82 8.828 8.828 8.725 0.103 25137 13666 1 20 . 1 1 83 83 THR N N 83 114.001 114.001 119.613 -5.612 25137 13667 1 20 . 1 1 83 83 THR HA H 83 5.305 5.305 4.761 0.544 25137 13668 1 20 . 1 1 83 83 THR C C 83 172.800 172.800 173.080 -0.280 25137 13669 1 20 . 1 1 83 83 THR CA C 83 58.807 58.807 60.462 -1.655 25137 13670 1 20 . 1 1 83 83 THR CB C 83 69.366 69.366 71.327 -1.961 25137 13671 1 20 . 1 1 83 83 THR H H 83 7.252 7.252 7.593 -0.341 25137 13672 1 20 . 1 1 84 84 GLY N N 84 115.666 115.666 110.209 5.457 25137 13673 1 20 . 1 1 84 84 GLY C C 84 173.764 173.764 174.490 -0.726 25137 13674 1 20 . 1 1 84 84 GLY CA C 84 45.284 45.284 44.560 0.723 25137 13675 1 20 . 1 1 84 84 GLY H H 84 8.483 8.483 8.957 -0.474 25137 13676 1 20 . 1 1 85 85 ASP N N 85 123.490 123.490 121.316 2.174 25137 13677 1 20 . 1 1 85 85 ASP HA H 85 4.982 4.982 4.976 0.006 25137 13678 1 20 . 1 1 85 85 ASP C C 85 175.829 175.829 175.804 0.025 25137 13679 1 20 . 1 1 85 85 ASP CA C 85 53.420 53.420 53.586 -0.166 25137 13680 1 20 . 1 1 85 85 ASP CB C 85 41.560 41.560 41.650 -0.090 25137 13681 1 20 . 1 1 85 85 ASP H H 85 8.510 8.510 7.794 0.716 25137 13682 1 20 . 1 1 86 86 LEU N N 86 122.010 122.010 120.523 1.487 25137 13683 1 20 . 1 1 86 86 LEU HA H 86 3.997 3.997 4.054 -0.057 25137 13684 1 20 . 1 1 86 86 LEU C C 86 178.242 178.242 178.071 0.171 25137 13685 1 20 . 1 1 86 86 LEU CA C 86 57.410 57.410 57.630 -0.220 25137 13686 1 20 . 1 1 86 86 LEU CB C 86 42.000 42.000 42.194 -0.194 25137 13687 1 20 . 1 1 86 86 LEU H H 86 8.210 8.210 8.230 -0.020 25137 13688 1 20 . 1 1 87 87 ASP N N 87 117.260 117.260 116.841 0.419 25137 13689 1 20 . 1 1 87 87 ASP HA H 87 4.535 4.535 4.360 0.175 25137 13690 1 20 . 1 1 87 87 ASP C C 87 178.351 178.351 178.331 0.020 25137 13691 1 20 . 1 1 87 87 ASP CA C 87 56.010 56.010 56.617 -0.607 25137 13692 1 20 . 1 1 87 87 ASP CB C 87 41.400 41.400 40.136 1.264 25137 13693 1 20 . 1 1 87 87 ASP H H 87 8.290 8.290 8.444 -0.154 25137 13694 1 20 . 1 1 88 88 ARG N N 88 120.750 120.750 119.002 1.748 25137 13695 1 20 . 1 1 88 88 ARG HA H 88 4.015 4.015 4.111 -0.096 25137 13696 1 20 . 1 1 88 88 ARG C C 88 177.300 177.300 176.393 0.907 25137 13697 1 20 . 1 1 88 88 ARG CA C 88 58.340 58.340 57.176 1.164 25137 13698 1 20 . 1 1 88 88 ARG CB C 88 30.460 30.460 30.541 -0.081 25137 13699 1 20 . 1 1 88 88 ARG H H 88 8.040 8.040 7.401 0.639 25137 13700 1 20 . 1 1 89 89 HIS N N 89 115.580 115.580 115.940 -0.360 25137 13701 1 20 . 1 1 89 89 HIS HA H 89 5.026 5.026 4.813 0.213 25137 13702 1 20 . 1 1 89 89 HIS C C 89 175.670 175.670 175.415 0.255 25137 13703 1 20 . 1 1 89 89 HIS CA C 89 55.300 55.300 55.054 0.246 25137 13704 1 20 . 1 1 89 89 HIS CB C 89 29.890 29.890 31.026 -1.136 25137 13705 1 20 . 1 1 89 89 HIS H H 89 7.900 7.900 7.716 0.184 25137 13706 1 20 . 1 1 90 90 GLY N N 90 108.320 108.320 109.047 -0.727 25137 13707 1 20 . 1 1 90 90 GLY C C 90 175.880 175.880 175.023 0.857 25137 13708 1 20 . 1 1 90 90 GLY CA C 90 48.310 48.310 46.933 1.377 25137 13709 1 20 . 1 1 90 90 GLY H H 90 7.790 7.790 7.808 -0.018 25137 13710 1 20 . 1 1 91 91 GLU N N 91 120.490 120.490 119.848 0.642 25137 13711 1 20 . 1 1 91 91 GLU HA H 91 4.043 4.043 4.067 -0.024 25137 13712 1 20 . 1 1 91 91 GLU C C 91 178.410 178.410 178.157 0.253 25137 13713 1 20 . 1 1 91 91 GLU CA C 91 59.200 59.200 58.173 1.027 25137 13714 1 20 . 1 1 91 91 GLU CB C 91 29.240 29.240 29.289 -0.049 25137 13715 1 20 . 1 1 91 91 GLU H H 91 8.580 8.580 8.104 0.476 25137 13716 1 20 . 1 1 92 92 LEU N N 92 121.740 121.740 121.264 0.476 25137 13717 1 20 . 1 1 92 92 LEU HA H 92 4.048 4.048 4.103 -0.055 25137 13718 1 20 . 1 1 92 92 LEU C C 92 178.630 178.630 178.281 0.349 25137 13719 1 20 . 1 1 92 92 LEU CA C 92 57.690 57.690 58.018 -0.328 25137 13720 1 20 . 1 1 92 92 LEU CB C 92 41.820 41.820 42.039 -0.219 25137 13721 1 20 . 1 1 92 92 LEU H H 92 7.690 7.690 7.926 -0.236 25137 13722 1 20 . 1 1 93 93 LEU N N 93 117.310 117.310 115.980 1.330 25137 13723 1 20 . 1 1 93 93 LEU HA H 93 3.881 3.881 4.070 -0.189 25137 13724 1 20 . 1 1 93 93 LEU C C 93 174.967 174.967 178.905 -3.938 25137 13725 1 20 . 1 1 93 93 LEU CA C 93 57.940 57.940 57.665 0.275 25137 13726 1 20 . 1 1 93 93 LEU CB C 93 40.640 40.640 39.786 0.854 25137 13727 1 20 . 1 1 93 93 LEU H H 93 8.160 8.160 7.546 0.614 25137 13728 1 20 . 1 1 94 94 ARG N N 94 117.940 117.940 119.928 -1.988 25137 13729 1 20 . 1 1 94 94 ARG HA H 94 4.120 4.120 4.104 0.016 25137 13730 1 20 . 1 1 94 94 ARG C C 94 177.870 177.870 178.188 -0.318 25137 13731 1 20 . 1 1 94 94 ARG CA C 94 58.450 58.450 58.958 -0.508 25137 13732 1 20 . 1 1 94 94 ARG CB C 94 30.370 30.370 29.992 0.378 25137 13733 1 20 . 1 1 94 94 ARG H H 94 7.770 7.770 7.701 0.069 25137 13734 1 20 . 1 1 95 95 LYS N N 95 118.380 118.380 116.727 1.653 25137 13735 1 20 . 1 1 95 95 LYS HA H 95 4.160 4.160 4.180 -0.020 25137 13736 1 20 . 1 1 95 95 LYS C C 95 177.730 177.730 178.007 -0.277 25137 13737 1 20 . 1 1 95 95 LYS CA C 95 57.600 57.600 58.563 -0.963 25137 13738 1 20 . 1 1 95 95 LYS CB C 95 32.770 32.770 33.223 -0.453 25137 13739 1 20 . 1 1 95 95 LYS H H 95 7.640 7.640 7.719 -0.079 25137 13740 1 20 . 1 1 96 96 ILE N N 96 120.160 120.160 118.790 1.370 25137 13741 1 20 . 1 1 96 96 ILE HA H 96 3.781 3.781 4.023 -0.242 25137 13742 1 20 . 1 1 96 96 ILE C C 96 175.840 175.840 176.249 -0.409 25137 13743 1 20 . 1 1 96 96 ILE CA C 96 63.720 63.720 63.440 0.280 25137 13744 1 20 . 1 1 96 96 ILE CB C 96 38.670 38.670 38.752 -0.082 25137 13745 1 20 . 1 1 96 96 ILE H H 96 7.980 7.980 7.785 0.195 25137 13746 1 20 . 1 1 97 97 ASP N N 97 120.510 120.510 118.727 1.783 25137 13747 1 20 . 1 1 97 97 ASP HA H 97 4.380 4.380 4.219 0.161 25137 13748 1 20 . 1 1 97 97 ASP C C 97 173.580 173.580 174.294 -0.714 25137 13749 1 20 . 1 1 97 97 ASP CA C 97 54.300 54.300 55.648 -1.348 25137 13750 1 20 . 1 1 97 97 ASP CB C 97 39.490 39.490 39.080 0.411 25137 13751 1 20 . 1 1 97 97 ASP H H 97 8.160 8.160 8.315 -0.155 25137 13752 1 20 . 1 1 98 98 ALA N N 98 123.800 123.800 123.215 0.585 25137 13753 1 20 . 1 1 98 98 ALA HA H 98 4.550 4.550 4.709 -0.159 25137 13754 1 20 . 1 1 98 98 ALA CA C 98 49.860 49.860 50.164 -0.304 25137 13755 1 20 . 1 1 98 98 ALA CB C 98 21.070 21.070 21.302 -0.232 25137 13756 1 20 . 1 1 98 98 ALA H H 98 7.680 7.680 7.965 -0.285 25137 13757 1 20 . 1 1 99 99 PRO HA H 99 4.370 4.370 4.468 -0.098 25137 13758 1 20 . 1 1 99 99 PRO C C 99 174.760 174.760 175.431 -0.671 25137 13759 1 20 . 1 1 99 99 PRO CA C 99 62.950 62.950 63.295 -0.345 25137 13760 1 20 . 1 1 99 99 PRO CB C 99 32.310 32.310 31.931 0.379 25137 13761 1 20 . 1 1 100 100 VAL N N 100 120.490 120.490 121.924 -1.434 25137 13762 1 20 . 1 1 100 100 VAL HA H 100 4.832 4.832 4.727 0.105 25137 13763 1 20 . 1 1 100 100 VAL C C 100 176.650 176.650 175.616 1.034 25137 13764 1 20 . 1 1 100 100 VAL CA C 100 60.450 60.450 61.743 -1.293 25137 13765 1 20 . 1 1 100 100 VAL CB C 100 34.830 34.830 34.648 0.182 25137 13766 1 20 . 1 1 100 100 VAL H H 100 8.270 8.270 8.247 0.023 25137 13767 1 20 . 1 1 101 101 MET N N 101 127.420 127.420 126.374 1.046 25137 13768 1 20 . 1 1 101 101 MET HA H 101 4.705 4.705 4.744 -0.039 25137 13769 1 20 . 1 1 101 101 MET C C 101 174.490 174.490 174.990 -0.500 25137 13770 1 20 . 1 1 101 101 MET CA C 101 54.730 54.730 53.269 1.461 25137 13771 1 20 . 1 1 101 101 MET CB C 101 34.560 34.560 33.328 1.232 25137 13772 1 20 . 1 1 101 101 MET H H 101 9.240 9.240 9.195 0.045 25137 13773 1 20 . 1 1 102 102 ALA N N 102 128.590 128.590 128.951 -0.361 25137 13774 1 20 . 1 1 102 102 ALA HA H 102 4.608 4.608 4.862 -0.254 25137 13775 1 20 . 1 1 102 102 ALA C C 102 177.935 177.935 176.892 1.043 25137 13776 1 20 . 1 1 102 102 ALA CA C 102 51.930 51.930 51.846 0.084 25137 13777 1 20 . 1 1 102 102 ALA CB C 102 19.040 19.040 19.844 -0.804 25137 13778 1 20 . 1 1 102 102 ALA H H 102 8.760 8.760 8.443 0.317 25137 13779 1 20 . 1 1 103 103 LYS N N 103 120.200 120.200 123.542 -3.342 25137 13780 1 20 . 1 1 103 103 LYS HA H 103 4.284 4.284 4.914 -0.630 25137 13781 1 20 . 1 1 103 103 LYS CA C 103 54.370 54.370 54.092 0.278 25137 13782 1 20 . 1 1 103 103 LYS CB C 103 34.190 34.190 32.390 1.800 25137 13783 1 20 . 1 1 103 103 LYS H H 103 7.300 7.300 7.918 -0.618 25137 13784 1 20 . 1 1 104 104 PRO HA H 104 4.611 4.611 4.515 0.096 25137 13785 1 20 . 1 1 104 104 PRO C C 104 174.980 174.980 175.622 -0.642 25137 13786 1 20 . 1 1 104 104 PRO CA C 104 62.626 62.626 62.516 0.110 25137 13787 1 20 . 1 1 104 104 PRO CB C 104 33.867 33.867 32.390 1.477 25137 13788 1 20 . 1 1 105 105 ALA N N 105 125.082 125.082 123.792 1.290 25137 13789 1 20 . 1 1 105 105 ALA HA H 105 4.576 4.576 4.478 0.098 25137 13790 1 20 . 1 1 105 105 ALA C C 105 176.890 176.890 176.175 0.715 25137 13791 1 20 . 1 1 105 105 ALA CA C 105 51.177 51.177 51.384 -0.207 25137 13792 1 20 . 1 1 105 105 ALA CB C 105 21.735 21.735 21.696 0.039 25137 13793 1 20 . 1 1 105 105 ALA H H 105 8.668 8.668 8.217 0.451 25137 13794 1 20 . 1 1 106 106 ASP N N 106 122.306 122.306 123.161 -0.855 25137 13795 1 20 . 1 1 106 106 ASP HA H 106 4.636 4.636 4.630 0.006 25137 13796 1 20 . 1 1 106 106 ASP C C 106 178.383 178.383 177.451 0.932 25137 13797 1 20 . 1 1 106 106 ASP CA C 106 54.312 54.312 54.130 0.182 25137 13798 1 20 . 1 1 106 106 ASP CB C 106 41.260 41.260 42.544 -1.284 25137 13799 1 20 . 1 1 106 106 ASP H H 106 8.867 8.867 8.421 0.446 25137 13800 1 20 . 1 1 107 107 THR N N 107 119.540 119.540 117.428 2.112 25137 13801 1 20 . 1 1 107 107 THR HA H 107 3.573 3.573 4.015 -0.442 25137 13802 1 20 . 1 1 107 107 THR C C 107 176.393 176.393 176.395 -0.002 25137 13803 1 20 . 1 1 107 107 THR CA C 107 65.940 65.940 64.466 1.474 25137 13804 1 20 . 1 1 107 107 THR CB C 107 68.191 68.191 68.862 -0.671 25137 13805 1 20 . 1 1 107 107 THR H H 107 8.658 8.658 8.489 0.169 25137 13806 1 20 . 1 1 108 108 SER N N 108 117.095 117.095 117.369 -0.274 25137 13807 1 20 . 1 1 108 108 SER HA H 108 4.140 4.140 4.051 0.089 25137 13808 1 20 . 1 1 108 108 SER C C 108 176.143 176.143 175.996 0.147 25137 13809 1 20 . 1 1 108 108 SER CA C 108 61.650 61.650 62.343 -0.693 25137 13810 1 20 . 1 1 108 108 SER CB C 108 62.450 62.450 62.528 -0.078 25137 13811 1 20 . 1 1 108 108 SER H H 108 8.480 8.480 8.614 -0.134 25137 13812 1 20 . 1 1 109 109 ASP N N 109 122.520 122.520 124.141 -1.621 25137 13813 1 20 . 1 1 109 109 ASP HA H 109 4.400 4.400 4.313 0.087 25137 13814 1 20 . 1 1 109 109 ASP C C 109 178.499 178.499 178.350 0.149 25137 13815 1 20 . 1 1 109 109 ASP CA C 109 56.990 56.990 58.375 -1.385 25137 13816 1 20 . 1 1 109 109 ASP CB C 109 40.560 40.560 40.517 0.043 25137 13817 1 20 . 1 1 109 109 ASP H H 109 7.350 7.350 7.428 -0.078 25137 13818 1 20 . 1 1 110 110 VAL N N 110 120.210 120.210 119.698 0.512 25137 13819 1 20 . 1 1 110 110 VAL HA H 110 3.262 3.262 3.516 -0.254 25137 13820 1 20 . 1 1 110 110 VAL C C 110 176.535 176.535 177.668 -1.133 25137 13821 1 20 . 1 1 110 110 VAL CA C 110 66.090 66.090 66.574 -0.484 25137 13822 1 20 . 1 1 110 110 VAL CB C 110 31.400 31.400 31.262 0.138 25137 13823 1 20 . 1 1 110 110 VAL H H 110 7.440 7.440 7.666 -0.226 25137 13824 1 20 . 1 1 111 111 ALA N N 111 118.790 118.790 121.433 -2.643 25137 13825 1 20 . 1 1 111 111 ALA HA H 111 3.264 3.264 2.826 0.438 25137 13826 1 20 . 1 1 111 111 ALA C C 111 179.030 179.030 179.333 -0.303 25137 13827 1 20 . 1 1 111 111 ALA CA C 111 54.590 54.590 54.764 -0.174 25137 13828 1 20 . 1 1 111 111 ALA CB C 111 16.480 16.480 17.420 -0.940 25137 13829 1 20 . 1 1 111 111 ALA H H 111 7.610 7.610 7.953 -0.343 25137 13830 1 20 . 1 1 112 112 LYS N N 112 115.540 115.540 118.378 -2.838 25137 13831 1 20 . 1 1 112 112 LYS HA H 112 3.750 3.750 3.909 -0.159 25137 13832 1 20 . 1 1 112 112 LYS C C 112 179.470 179.470 179.212 0.258 25137 13833 1 20 . 1 1 112 112 LYS CA C 112 60.020 60.020 59.745 0.275 25137 13834 1 20 . 1 1 112 112 LYS CB C 112 32.680 32.680 32.285 0.396 25137 13835 1 20 . 1 1 112 112 LYS H H 112 7.840 7.840 7.979 -0.139 25137 13836 1 20 . 1 1 113 113 ARG N N 113 118.590 118.590 117.722 0.868 25137 13837 1 20 . 1 1 113 113 ARG HA H 113 4.021 4.021 4.355 -0.334 25137 13838 1 20 . 1 1 113 113 ARG C C 113 179.120 179.120 178.817 0.303 25137 13839 1 20 . 1 1 113 113 ARG CA C 113 58.180 58.180 57.877 0.303 25137 13840 1 20 . 1 1 113 113 ARG CB C 113 29.530 29.530 29.497 0.033 25137 13841 1 20 . 1 1 113 113 ARG H H 113 7.860 7.860 8.026 -0.166 25137 13842 1 20 . 1 1 114 114 ALA N N 114 120.520 120.520 122.364 -1.844 25137 13843 1 20 . 1 1 114 114 ALA HA H 114 4.046 4.046 4.250 -0.204 25137 13844 1 20 . 1 1 114 114 ALA C C 114 179.280 179.280 179.597 -0.317 25137 13845 1 20 . 1 1 114 114 ALA CA C 114 55.070 55.070 54.922 0.148 25137 13846 1 20 . 1 1 114 114 ALA CB C 114 17.920 17.920 18.848 -0.928 25137 13847 1 20 . 1 1 114 114 ALA H H 114 8.190 8.190 7.605 0.585 25137 13848 1 20 . 1 1 115 115 LEU N N 115 115.820 115.820 118.568 -2.748 25137 13849 1 20 . 1 1 115 115 LEU HA H 115 4.225 4.225 4.042 0.183 25137 13850 1 20 . 1 1 115 115 LEU C C 115 180.490 180.490 179.021 1.469 25137 13851 1 20 . 1 1 115 115 LEU CA C 115 57.600 57.600 57.582 0.018 25137 13852 1 20 . 1 1 115 115 LEU CB C 115 40.590 40.590 41.874 -1.284 25137 13853 1 20 . 1 1 115 115 LEU H H 115 8.320 8.320 8.490 -0.170 25137 13854 1 20 . 1 1 116 116 GLU N N 116 119.789 119.789 119.068 0.721 25137 13855 1 20 . 1 1 116 116 GLU HA H 116 4.109 4.109 4.074 0.035 25137 13856 1 20 . 1 1 116 116 GLU C C 116 178.790 178.790 178.255 0.535 25137 13857 1 20 . 1 1 116 116 GLU CA C 116 58.625 58.625 59.034 -0.409 25137 13858 1 20 . 1 1 116 116 GLU CB C 116 29.548 29.548 29.171 0.377 25137 13859 1 20 . 1 1 116 116 GLU H H 116 7.904 7.904 8.327 -0.423 25137 13860 1 20 . 1 1 117 117 MET N N 117 116.426 116.426 117.314 -0.888 25137 13861 1 20 . 1 1 117 117 MET HA H 117 4.245 4.245 4.273 -0.028 25137 13862 1 20 . 1 1 117 117 MET C C 117 176.890 176.890 177.871 -0.981 25137 13863 1 20 . 1 1 117 117 MET CA C 117 57.638 57.638 57.579 0.059 25137 13864 1 20 . 1 1 117 117 MET CB C 117 33.467 33.467 32.792 0.674 25137 13865 1 20 . 1 1 117 117 MET H H 117 7.712 7.712 7.570 0.142 25137 13866 1 20 . 1 1 118 118 CYS N N 118 113.993 113.993 117.039 -3.046 25137 13867 1 20 . 1 1 118 118 CYS HA H 118 4.699 4.699 4.215 0.484 25137 13868 1 20 . 1 1 118 118 CYS C C 118 174.750 174.750 176.488 -1.738 25137 13869 1 20 . 1 1 118 118 CYS CA C 118 58.541 58.541 60.942 -2.401 25137 13870 1 20 . 1 1 118 118 CYS CB C 118 28.552 28.552 29.102 -0.550 25137 13871 1 20 . 1 1 118 118 CYS H H 118 7.428 7.428 7.621 -0.193 25137 13872 1 20 . 1 1 119 119 GLY N N 119 109.823 109.823 109.580 0.243 25137 13873 1 20 . 1 1 119 119 GLY C C 119 174.660 174.660 174.624 0.036 25137 13874 1 20 . 1 1 119 119 GLY CA C 119 45.709 45.709 45.670 0.039 25137 13875 1 20 . 1 1 119 119 GLY H H 119 8.056 8.056 8.557 -0.501 25137 13876 1 20 . 1 1 120 120 GLY N N 120 108.821 108.821 112.320 -3.499 25137 13877 1 20 . 1 1 120 120 GLY C C 120 173.790 173.790 173.213 0.577 25137 13878 1 20 . 1 1 120 120 GLY CA C 120 45.326 45.326 44.584 0.742 25137 13879 1 20 . 1 1 120 120 GLY H H 120 8.301 8.301 8.046 0.255 25137 13880 1 20 . 1 1 121 121 ASP N N 121 120.383 120.383 122.648 -2.265 25137 13881 1 20 . 1 1 121 121 ASP HA H 121 4.591 4.591 4.658 -0.067 25137 13882 1 20 . 1 1 121 121 ASP C C 121 176.160 176.160 175.297 0.863 25137 13883 1 20 . 1 1 121 121 ASP CA C 121 54.313 54.313 54.336 -0.022 25137 13884 1 20 . 1 1 121 121 ASP CB C 121 41.079 41.079 42.183 -1.104 25137 13885 1 20 . 1 1 121 121 ASP H H 121 8.438 8.438 8.500 -0.062 25137 13886 1 20 . 1 1 122 122 LYS N N 122 121.450 121.450 122.989 -1.539 25137 13887 1 20 . 1 1 122 122 LYS HA H 122 4.350 4.350 4.518 -0.168 25137 13888 1 20 . 1 1 122 122 LYS C C 122 177.184 177.184 175.736 1.448 25137 13889 1 20 . 1 1 122 122 LYS CA C 122 55.890 55.890 55.601 0.289 25137 13890 1 20 . 1 1 122 122 LYS CB C 122 33.190 33.190 34.062 -0.872 25137 13891 1 20 . 1 1 122 122 LYS H H 122 8.258 8.258 8.395 -0.137 25137 13892 1 20 . 1 1 123 123 GLU N N 123 123.560 123.560 126.745 -3.185 25137 13893 1 20 . 1 1 123 123 GLU HA H 123 4.550 4.550 4.624 -0.074 25137 13894 1 20 . 1 1 123 123 GLU CA C 123 54.470 54.470 52.891 1.579 25137 13895 1 20 . 1 1 123 123 GLU CB C 123 29.640 29.640 30.273 -0.633 25137 13896 1 20 . 1 1 123 123 GLU H H 123 8.420 8.420 8.743 -0.323 25137 13897 1 20 . 1 1 124 124 PRO HA H 124 4.384 4.384 4.547 -0.163 25137 13898 1 20 . 1 1 124 124 PRO C C 124 175.770 175.770 175.506 0.264 25137 13899 1 20 . 1 1 124 124 PRO CA C 124 63.350 63.350 62.838 0.512 25137 13900 1 20 . 1 1 124 124 PRO CB C 124 32.300 32.300 30.341 1.959 25137 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 114 2.817 0.452 2.792 25137 2 1 1 "Average Difference" HA 131 0.240 -0.016 0.241 25137 3 1 1 "Average Difference" C 114 1.053 0.134 1.049 25137 4 1 1 "Average Difference" CA 123 0.799 0.066 0.800 25137 5 1 1 "Average Difference" CB 115 1.134 -0.217 1.118 25137 6 1 1 "Average Difference" HN 114 0.540 0.031 0.541 25137 7 1 2 "Average Difference" N 114 2.571 0.513 2.530 25137 8 1 2 "Average Difference" HA 131 0.265 -0.022 0.265 25137 9 1 2 "Average Difference" C 114 0.987 0.178 0.975 25137 10 1 2 "Average Difference" CA 123 0.892 0.109 0.889 25137 11 1 2 "Average Difference" CB 115 1.092 -0.290 1.058 25137 12 1 2 "Average Difference" HN 114 0.538 0.032 0.539 25137 13 1 3 "Average Difference" N 114 2.672 0.526 2.631 25137 14 1 3 "Average Difference" HA 131 0.264 -0.017 0.265 25137 15 1 3 "Average Difference" C 114 1.007 0.205 0.990 25137 16 1 3 "Average Difference" CA 123 0.904 0.032 0.907 25137 17 1 3 "Average Difference" CB 115 1.172 -0.304 1.137 25137 18 1 3 "Average Difference" HN 114 0.549 0.021 0.552 25137 19 1 4 "Average Difference" N 114 2.775 0.541 2.734 25137 20 1 4 "Average Difference" HA 131 0.275 -0.036 0.274 25137 21 1 4 "Average Difference" C 114 1.024 0.134 1.020 25137 22 1 4 "Average Difference" CA 123 0.835 0.067 0.836 25137 23 1 4 "Average Difference" CB 115 1.136 -0.263 1.110 25137 24 1 4 "Average Difference" HN 114 0.530 0.008 0.533 25137 25 1 5 "Average Difference" N 114 2.638 0.470 2.607 25137 26 1 5 "Average Difference" HA 131 0.247 -0.000 0.248 25137 27 1 5 "Average Difference" C 114 0.983 0.150 0.976 25137 28 1 5 "Average Difference" CA 123 0.819 0.084 0.818 25137 29 1 5 "Average Difference" CB 115 1.152 -0.330 1.109 25137 30 1 5 "Average Difference" HN 114 0.558 0.019 0.561 25137 31 1 6 "Average Difference" N 114 2.764 0.626 2.704 25137 32 1 6 "Average Difference" HA 131 0.253 -0.023 0.253 25137 33 1 6 "Average Difference" C 114 0.988 0.166 0.978 25137 34 1 6 "Average Difference" CA 123 0.849 0.099 0.847 25137 35 1 6 "Average Difference" CB 115 1.071 -0.212 1.055 25137 36 1 6 "Average Difference" HN 114 0.531 0.044 0.532 25137 37 1 7 "Average Difference" N 114 2.828 0.568 2.782 25137 38 1 7 "Average Difference" HA 131 0.258 -0.013 0.259 25137 39 1 7 "Average Difference" C 114 0.997 0.206 0.980 25137 40 1 7 "Average Difference" CA 123 0.839 0.065 0.840 25137 41 1 7 "Average Difference" CB 115 1.114 -0.275 1.084 25137 42 1 7 "Average Difference" HN 114 0.523 0.034 0.524 25137 43 1 8 "Average Difference" N 114 2.727 0.550 2.682 25137 44 1 8 "Average Difference" HA 131 0.276 -0.013 0.277 25137 45 1 8 "Average Difference" C 114 1.011 0.209 0.993 25137 46 1 8 "Average Difference" CA 123 0.870 0.023 0.873 25137 47 1 8 "Average Difference" CB 115 1.162 -0.283 1.132 25137 48 1 8 "Average Difference" HN 114 0.550 0.012 0.553 25137 49 1 9 "Average Difference" N 114 2.883 0.558 2.841 25137 50 1 9 "Average Difference" HA 131 0.262 -0.043 0.259 25137 51 1 9 "Average Difference" C 114 0.997 0.194 0.982 25137 52 1 9 "Average Difference" CA 123 0.854 0.160 0.842 25137 53 1 9 "Average Difference" CB 115 1.125 -0.324 1.082 25137 54 1 9 "Average Difference" HN 114 0.523 0.037 0.524 25137 55 1 10 "Average Difference" N 114 2.729 0.424 2.708 25137 56 1 10 "Average Difference" HA 131 0.250 -0.034 0.248 25137 57 1 10 "Average Difference" C 114 1.009 0.168 1.000 25137 58 1 10 "Average Difference" CA 123 0.818 0.091 0.817 25137 59 1 10 "Average Difference" CB 115 1.120 -0.296 1.085 25137 60 1 10 "Average Difference" HN 114 0.531 0.024 0.533 25137 61 1 11 "Average Difference" N 114 2.677 0.447 2.651 25137 62 1 11 "Average Difference" HA 131 0.266 -0.017 0.267 25137 63 1 11 "Average Difference" C 114 1.020 0.173 1.009 25137 64 1 11 "Average Difference" CA 123 0.831 0.034 0.834 25137 65 1 11 "Average Difference" CB 115 1.096 -0.257 1.071 25137 66 1 11 "Average Difference" HN 114 0.520 0.007 0.522 25137 67 1 12 "Average Difference" N 114 2.890 0.618 2.836 25137 68 1 12 "Average Difference" HA 131 0.251 -0.031 0.250 25137 69 1 12 "Average Difference" C 114 1.045 0.153 1.038 25137 70 1 12 "Average Difference" CA 123 0.830 0.018 0.833 25137 71 1 12 "Average Difference" CB 115 1.129 -0.269 1.101 25137 72 1 12 "Average Difference" HN 114 0.524 0.028 0.525 25137 73 1 13 "Average Difference" N 114 2.783 0.539 2.743 25137 74 1 13 "Average Difference" HA 131 0.249 -0.012 0.250 25137 75 1 13 "Average Difference" C 114 1.017 0.232 0.994 25137 76 1 13 "Average Difference" CA 123 0.843 0.043 0.845 25137 77 1 13 "Average Difference" CB 115 1.122 -0.268 1.094 25137 78 1 13 "Average Difference" HN 114 0.540 0.015 0.542 25137 79 1 14 "Average Difference" N 114 2.717 0.336 2.708 25137 80 1 14 "Average Difference" HA 131 0.249 -0.014 0.249 25137 81 1 14 "Average Difference" C 114 1.033 0.222 1.014 25137 82 1 14 "Average Difference" CA 123 0.837 0.164 0.824 25137 83 1 14 "Average Difference" CB 115 1.161 -0.265 1.135 25137 84 1 14 "Average Difference" HN 114 0.562 0.030 0.564 25137 85 1 15 "Average Difference" N 114 2.847 0.536 2.809 25137 86 1 15 "Average Difference" HA 131 0.264 -0.020 0.264 25137 87 1 15 "Average Difference" C 114 1.031 0.161 1.022 25137 88 1 15 "Average Difference" CA 123 0.930 0.063 0.932 25137 89 1 15 "Average Difference" CB 115 1.154 -0.325 1.112 25137 90 1 15 "Average Difference" HN 114 0.534 0.011 0.537 25137 91 1 16 "Average Difference" N 114 2.705 0.364 2.692 25137 92 1 16 "Average Difference" HA 131 0.254 -0.020 0.255 25137 93 1 16 "Average Difference" C 114 0.954 0.196 0.938 25137 94 1 16 "Average Difference" CA 123 0.803 0.015 0.806 25137 95 1 16 "Average Difference" CB 115 1.098 -0.313 1.057 25137 96 1 16 "Average Difference" HN 114 0.524 0.017 0.526 25137 97 1 17 "Average Difference" N 114 2.736 0.503 2.701 25137 98 1 17 "Average Difference" HA 131 0.254 -0.019 0.254 25137 99 1 17 "Average Difference" C 114 0.997 0.160 0.988 25137 100 1 17 "Average Difference" CA 123 0.853 0.066 0.854 25137 101 1 17 "Average Difference" CB 115 1.150 -0.227 1.133 25137 102 1 17 "Average Difference" HN 114 0.543 0.014 0.545 25137 103 1 18 "Average Difference" N 114 2.887 0.418 2.869 25137 104 1 18 "Average Difference" HA 131 0.268 -0.025 0.267 25137 105 1 18 "Average Difference" C 114 1.013 0.200 0.998 25137 106 1 18 "Average Difference" CA 123 0.840 0.139 0.832 25137 107 1 18 "Average Difference" CB 115 1.125 -0.309 1.086 25137 108 1 18 "Average Difference" HN 114 0.546 0.006 0.548 25137 109 1 19 "Average Difference" N 114 2.748 0.495 2.715 25137 110 1 19 "Average Difference" HA 131 0.245 -0.009 0.246 25137 111 1 19 "Average Difference" C 114 1.011 0.223 0.991 25137 112 1 19 "Average Difference" CA 123 0.844 0.087 0.843 25137 113 1 19 "Average Difference" CB 115 1.082 -0.282 1.049 25137 114 1 19 "Average Difference" HN 114 0.535 0.035 0.536 25137 115 1 20 "Average Difference" N 114 2.876 0.477 2.849 25137 116 1 20 "Average Difference" HA 131 0.257 -0.023 0.257 25137 117 1 20 "Average Difference" C 114 1.006 0.185 0.993 25137 118 1 20 "Average Difference" CA 123 0.906 0.067 0.907 25137 119 1 20 "Average Difference" CB 115 1.139 -0.246 1.117 25137 120 1 20 "Average Difference" HN 114 0.559 0.028 0.561 25137 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 25137 _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 2 123.423 123.423 124.131 -0.708 25137 2 1 . 1 1 2 2 ALA HA H 2 4.357 4.357 4.394 -0.037 25137 3 1 . 1 1 2 2 ALA C C 2 177.811 177.811 177.351 0.460 25137 4 1 . 1 1 2 2 ALA CA C 2 52.652 52.652 52.612 0.040 25137 5 1 . 1 1 2 2 ALA CB C 2 19.488 19.488 18.861 0.627 25137 6 1 . 1 1 2 2 ALA H H 2 7.983 7.983 8.308 -0.325 25137 7 1 . 1 1 3 3 MET N N 3 119.390 119.390 118.719 0.671 25137 8 1 . 1 1 3 3 MET HA H 3 4.482 4.482 4.541 -0.059 25137 9 1 . 1 1 3 3 MET C C 3 176.569 176.569 176.739 -0.170 25137 10 1 . 1 1 3 3 MET CA C 3 55.570 55.570 55.415 0.155 25137 11 1 . 1 1 3 3 MET CB C 3 32.900 32.900 33.093 -0.193 25137 12 1 . 1 1 3 3 MET H H 3 8.570 8.570 8.204 0.366 25137 13 1 . 1 1 4 4 GLY N N 4 110.130 110.130 109.939 0.191 25137 14 1 . 1 1 4 4 GLY C C 4 173.630 173.630 173.832 -0.202 25137 15 1 . 1 1 4 4 GLY CA C 4 45.270 45.270 44.924 0.346 25137 16 1 . 1 1 4 4 GLY H H 4 8.370 8.370 8.172 0.198 25137 17 1 . 1 1 5 5 MET N N 5 121.570 121.570 121.406 0.164 25137 18 1 . 1 1 5 5 MET HA H 5 4.780 4.780 4.832 -0.052 25137 19 1 . 1 1 5 5 MET CA C 5 53.630 53.630 53.397 0.233 25137 20 1 . 1 1 5 5 MET CB C 5 33.140 33.140 33.169 -0.029 25137 21 1 . 1 1 5 5 MET H H 5 8.210 8.210 7.974 0.236 25137 22 1 . 1 1 6 6 PRO HA H 6 4.505 4.505 4.558 -0.052 25137 23 1 . 1 1 6 6 PRO C C 6 174.520 174.520 175.731 -1.211 25137 24 1 . 1 1 6 6 PRO CA C 6 62.980 62.980 62.355 0.625 25137 25 1 . 1 1 6 6 PRO CB C 6 32.400 32.400 32.409 -0.009 25137 26 1 . 1 1 7 7 LYS N N 7 123.443 123.443 125.295 -1.852 25137 27 1 . 1 1 7 7 LYS HA H 7 5.000 5.000 4.654 0.346 25137 28 1 . 1 1 7 7 LYS C C 7 175.920 175.920 176.004 -0.084 25137 29 1 . 1 1 7 7 LYS CA C 7 54.911 54.911 55.314 -0.403 25137 30 1 . 1 1 7 7 LYS CB C 7 33.635 33.635 32.519 1.116 25137 31 1 . 1 1 7 7 LYS H H 7 9.675 9.675 9.263 0.412 25137 32 1 . 1 1 8 8 VAL N N 8 125.859 125.859 127.703 -1.844 25137 33 1 . 1 1 8 8 VAL HA H 8 4.723 4.723 4.949 -0.225 25137 34 1 . 1 1 8 8 VAL C C 8 174.630 174.630 174.152 0.478 25137 35 1 . 1 1 8 8 VAL CA C 8 59.726 59.726 60.814 -1.088 25137 36 1 . 1 1 8 8 VAL CB C 8 34.991 34.991 33.115 1.876 25137 37 1 . 1 1 8 8 VAL H H 8 8.851 8.851 9.096 -0.245 25137 38 1 . 1 1 9 9 LEU N N 9 127.114 127.114 129.908 -2.795 25137 39 1 . 1 1 9 9 LEU HA H 9 5.190 5.190 4.879 0.311 25137 40 1 . 1 1 9 9 LEU C C 9 174.090 174.090 174.641 -0.551 25137 41 1 . 1 1 9 9 LEU CA C 9 53.090 53.090 53.196 -0.106 25137 42 1 . 1 1 9 9 LEU CB C 9 45.007 45.007 43.968 1.039 25137 43 1 . 1 1 9 9 LEU H H 9 7.881 7.881 8.707 -0.826 25137 44 1 . 1 1 10 10 VAL N N 10 128.024 128.024 128.318 -0.294 25137 45 1 . 1 1 10 10 VAL HA H 10 4.647 4.647 4.483 0.164 25137 46 1 . 1 1 10 10 VAL C C 10 172.900 172.900 174.122 -1.222 25137 47 1 . 1 1 10 10 VAL CA C 10 61.206 61.206 61.909 -0.703 25137 48 1 . 1 1 10 10 VAL CB C 10 34.541 34.541 32.853 1.688 25137 49 1 . 1 1 10 10 VAL H H 10 8.952 8.952 9.204 -0.252 25137 50 1 . 1 1 11 11 LEU N N 11 128.979 128.979 129.974 -0.995 25137 51 1 . 1 1 11 11 LEU HA H 11 5.504 5.504 5.337 0.167 25137 52 1 . 1 1 11 11 LEU C C 11 174.450 174.450 175.343 -0.893 25137 53 1 . 1 1 11 11 LEU CA C 11 52.328 52.328 53.026 -0.698 25137 54 1 . 1 1 11 11 LEU CB C 11 45.000 45.000 41.544 3.455 25137 55 1 . 1 1 11 11 LEU H H 11 8.433 8.433 9.218 -0.785 25137 56 1 . 1 1 12 12 GLU N N 12 128.158 128.158 124.914 3.244 25137 57 1 . 1 1 12 12 GLU HA H 12 4.294 4.294 4.566 -0.272 25137 58 1 . 1 1 12 12 GLU C C 12 173.120 173.120 174.568 -1.448 25137 59 1 . 1 1 12 12 GLU CA C 12 56.964 56.964 56.082 0.882 25137 60 1 . 1 1 12 12 GLU CB C 12 32.201 32.201 33.018 -0.817 25137 61 1 . 1 1 12 12 GLU H H 12 8.532 8.532 8.684 -0.152 25137 62 1 . 1 1 13 13 ASP N N 13 123.077 123.077 125.632 -2.555 25137 63 1 . 1 1 13 13 ASP HA H 13 4.659 4.659 4.603 0.056 25137 64 1 . 1 1 13 13 ASP C C 13 176.090 176.090 176.695 -0.605 25137 65 1 . 1 1 13 13 ASP CA C 13 55.140 55.140 54.982 0.158 25137 66 1 . 1 1 13 13 ASP CB C 13 40.524 40.524 41.750 -1.226 25137 67 1 . 1 1 13 13 ASP H H 13 8.803 8.803 8.707 0.096 25137 68 1 . 1 1 14 14 GLU N N 14 126.685 126.685 120.775 5.910 25137 69 1 . 1 1 14 14 GLU HA H 14 4.809 4.809 4.624 0.185 25137 70 1 . 1 1 14 14 GLU CA C 14 54.574 54.574 54.082 0.492 25137 71 1 . 1 1 14 14 GLU CB C 14 29.310 29.310 29.538 -0.228 25137 72 1 . 1 1 14 14 GLU H H 14 10.077 10.077 8.375 1.702 25137 73 1 . 1 1 15 15 PRO HA H 15 4.273 4.273 4.218 0.055 25137 74 1 . 1 1 15 15 PRO C C 15 179.110 179.110 178.118 0.992 25137 75 1 . 1 1 15 15 PRO CA C 15 65.472 65.472 65.637 -0.165 25137 76 1 . 1 1 15 15 PRO CB C 15 32.462 32.462 31.816 0.646 25137 77 1 . 1 1 16 16 LEU N N 16 118.358 118.358 118.763 -0.405 25137 78 1 . 1 1 16 16 LEU HA H 16 4.131 4.131 4.136 -0.005 25137 79 1 . 1 1 16 16 LEU C C 16 179.260 179.260 178.591 0.669 25137 80 1 . 1 1 16 16 LEU CA C 16 58.306 58.306 58.015 0.291 25137 81 1 . 1 1 16 16 LEU CB C 16 41.731 41.731 41.505 0.226 25137 82 1 . 1 1 16 16 LEU H H 16 8.851 8.851 8.003 0.848 25137 83 1 . 1 1 17 17 ILE N N 17 117.680 117.680 119.333 -1.653 25137 84 1 . 1 1 17 17 ILE HA H 17 3.832 3.832 3.640 0.192 25137 85 1 . 1 1 17 17 ILE C C 17 178.230 178.230 177.917 0.313 25137 86 1 . 1 1 17 17 ILE CA C 17 63.344 63.344 64.892 -1.549 25137 87 1 . 1 1 17 17 ILE CB C 17 36.564 36.564 37.320 -0.756 25137 88 1 . 1 1 17 17 ILE H H 17 6.886 6.886 7.565 -0.679 25137 89 1 . 1 1 18 18 ALA N N 18 122.321 122.321 123.018 -0.697 25137 90 1 . 1 1 18 18 ALA HA H 18 3.720 3.720 3.929 -0.209 25137 91 1 . 1 1 18 18 ALA C C 18 178.900 178.900 179.391 -0.491 25137 92 1 . 1 1 18 18 ALA CA C 18 55.890 55.890 55.479 0.411 25137 93 1 . 1 1 18 18 ALA CB C 18 18.165 18.165 18.214 -0.049 25137 94 1 . 1 1 18 18 ALA H H 18 7.988 7.988 8.595 -0.607 25137 95 1 . 1 1 19 19 MET N N 19 115.807 115.807 118.546 -2.739 25137 96 1 . 1 1 19 19 MET HA H 19 3.999 3.999 4.025 -0.026 25137 97 1 . 1 1 19 19 MET C C 19 177.180 177.180 178.164 -0.984 25137 98 1 . 1 1 19 19 MET CA C 19 58.144 58.144 59.173 -1.029 25137 99 1 . 1 1 19 19 MET CB C 19 32.852 32.852 32.733 0.119 25137 100 1 . 1 1 19 19 MET H H 19 8.204 8.204 8.506 -0.302 25137 101 1 . 1 1 20 20 ASN N N 20 117.843 117.843 119.001 -1.158 25137 102 1 . 1 1 20 20 ASN HA H 20 4.545 4.545 4.657 -0.112 25137 103 1 . 1 1 20 20 ASN C C 20 179.590 179.590 178.365 1.225 25137 104 1 . 1 1 20 20 ASN CA C 20 56.222 56.222 56.394 -0.172 25137 105 1 . 1 1 20 20 ASN CB C 20 38.005 38.005 38.648 -0.643 25137 106 1 . 1 1 20 20 ASN H H 20 7.839 7.839 8.183 -0.344 25137 107 1 . 1 1 21 21 LEU N N 21 121.749 121.749 121.665 0.084 25137 108 1 . 1 1 21 21 LEU HA H 21 4.055 4.055 4.070 -0.015 25137 109 1 . 1 1 21 21 LEU C C 21 177.750 177.750 178.678 -0.928 25137 110 1 . 1 1 21 21 LEU CA C 21 58.268 58.268 58.438 -0.170 25137 111 1 . 1 1 21 21 LEU CB C 21 42.605 42.605 41.945 0.660 25137 112 1 . 1 1 21 21 LEU H H 21 8.601 8.601 8.811 -0.210 25137 113 1 . 1 1 22 22 GLN N N 22 120.991 120.991 119.603 1.388 25137 114 1 . 1 1 22 22 GLN HA H 22 3.935 3.935 3.966 -0.031 25137 115 1 . 1 1 22 22 GLN C C 22 178.070 178.070 178.568 -0.498 25137 116 1 . 1 1 22 22 GLN CA C 22 60.463 60.463 59.495 0.968 25137 117 1 . 1 1 22 22 GLN CB C 22 26.902 26.902 28.581 -1.679 25137 118 1 . 1 1 22 22 GLN H H 22 8.749 8.749 8.351 0.398 25137 119 1 . 1 1 23 23 TYR N N 23 117.446 117.446 118.559 -1.113 25137 120 1 . 1 1 23 23 TYR HA H 23 4.517 4.517 4.404 0.113 25137 121 1 . 1 1 23 23 TYR C C 23 178.210 178.210 178.291 -0.081 25137 122 1 . 1 1 23 23 TYR CA C 23 59.425 59.425 60.625 -1.200 25137 123 1 . 1 1 23 23 TYR CB C 23 36.975 36.975 37.904 -0.929 25137 124 1 . 1 1 23 23 TYR H H 23 8.450 8.450 8.533 -0.083 25137 125 1 . 1 1 24 24 ALA N N 24 121.627 121.627 123.056 -1.429 25137 126 1 . 1 1 24 24 ALA HA H 24 4.100 4.100 4.023 0.077 25137 127 1 . 1 1 24 24 ALA C C 24 180.910 180.910 179.255 1.655 25137 128 1 . 1 1 24 24 ALA CA C 24 55.060 55.060 54.925 0.135 25137 129 1 . 1 1 24 24 ALA CB C 24 18.070 18.070 18.066 0.004 25137 130 1 . 1 1 24 24 ALA H H 24 7.765 7.765 7.978 -0.213 25137 131 1 . 1 1 25 25 PHE N N 25 115.589 115.589 117.818 -2.229 25137 132 1 . 1 1 25 25 PHE HA H 25 3.940 3.940 4.114 -0.173 25137 133 1 . 1 1 25 25 PHE C C 25 179.090 179.090 178.472 0.618 25137 134 1 . 1 1 25 25 PHE CA C 25 63.453 63.453 62.564 0.889 25137 135 1 . 1 1 25 25 PHE CB C 25 39.484 39.484 38.888 0.596 25137 136 1 . 1 1 25 25 PHE H H 25 8.348 8.348 8.669 -0.321 25137 137 1 . 1 1 26 26 GLU N N 26 121.198 121.198 119.201 1.997 25137 138 1 . 1 1 26 26 GLU HA H 26 4.429 4.429 4.360 0.069 25137 139 1 . 1 1 26 26 GLU C C 26 181.680 181.680 178.965 2.715 25137 140 1 . 1 1 26 26 GLU CA C 26 59.737 59.737 58.776 0.961 25137 141 1 . 1 1 26 26 GLU CB C 26 28.925 28.925 29.434 -0.509 25137 142 1 . 1 1 26 26 GLU H H 26 8.822 8.822 8.385 0.437 25137 143 1 . 1 1 27 27 ASP N N 27 121.846 121.846 119.312 2.534 25137 144 1 . 1 1 27 27 ASP HA H 27 4.468 4.468 4.488 -0.020 25137 145 1 . 1 1 27 27 ASP C C 27 177.880 177.880 177.853 0.027 25137 146 1 . 1 1 27 27 ASP CA C 27 56.996 56.996 56.611 0.385 25137 147 1 . 1 1 27 27 ASP CB C 27 40.640 40.640 41.004 -0.364 25137 148 1 . 1 1 27 27 ASP H H 27 8.424 8.424 7.944 0.480 25137 149 1 . 1 1 28 28 GLU N N 28 115.759 115.759 117.026 -1.267 25137 150 1 . 1 1 28 28 GLU HA H 28 4.331 4.331 4.374 -0.043 25137 151 1 . 1 1 28 28 GLU C C 28 176.460 176.460 176.906 -0.446 25137 152 1 . 1 1 28 28 GLU CA C 28 55.395 55.395 56.123 -0.728 25137 153 1 . 1 1 28 28 GLU CB C 28 30.264 30.264 29.966 0.298 25137 154 1 . 1 1 28 28 GLU H H 28 7.170 7.170 7.649 -0.479 25137 155 1 . 1 1 29 29 GLY N N 29 106.899 106.899 107.516 -0.617 25137 156 1 . 1 1 29 29 GLY C C 29 173.160 173.160 172.877 0.283 25137 157 1 . 1 1 29 29 GLY CA C 29 45.589 45.589 45.263 0.326 25137 158 1 . 1 1 29 29 GLY H H 29 7.889 7.889 7.756 0.133 25137 159 1 . 1 1 30 30 ALA N N 30 121.007 121.007 121.111 -0.104 25137 160 1 . 1 1 30 30 ALA HA H 30 4.680 4.680 5.024 -0.344 25137 161 1 . 1 1 30 30 ALA C C 30 175.880 175.880 175.149 0.731 25137 162 1 . 1 1 30 30 ALA CA C 30 50.666 50.666 50.763 -0.097 25137 163 1 . 1 1 30 30 ALA CB C 30 21.882 21.882 22.235 -0.353 25137 164 1 . 1 1 30 30 ALA H H 30 7.743 7.743 7.627 0.116 25137 165 1 . 1 1 31 31 GLU N N 31 120.065 120.065 119.509 0.556 25137 166 1 . 1 1 31 31 GLU HA H 31 4.664 4.664 4.752 -0.088 25137 167 1 . 1 1 31 31 GLU C C 31 175.430 175.430 174.625 0.805 25137 168 1 . 1 1 31 31 GLU CA C 31 55.136 55.136 54.711 0.425 25137 169 1 . 1 1 31 31 GLU CB C 31 32.126 32.126 32.421 -0.295 25137 170 1 . 1 1 31 31 GLU H H 31 8.595 8.595 8.511 0.084 25137 171 1 . 1 1 32 32 VAL N N 32 123.414 123.414 124.714 -1.300 25137 172 1 . 1 1 32 32 VAL HA H 32 4.787 4.787 4.821 -0.034 25137 173 1 . 1 1 32 32 VAL C C 32 175.290 175.290 175.520 -0.230 25137 174 1 . 1 1 32 32 VAL CA C 32 60.802 60.802 60.374 0.428 25137 175 1 . 1 1 32 32 VAL CB C 32 34.991 34.991 34.024 0.967 25137 176 1 . 1 1 32 32 VAL H H 32 8.872 8.872 8.413 0.459 25137 177 1 . 1 1 33 33 VAL N N 33 128.158 128.158 127.348 0.810 25137 178 1 . 1 1 33 33 VAL HA H 33 4.226 4.226 4.346 -0.120 25137 179 1 . 1 1 33 33 VAL C C 33 173.830 173.830 174.504 -0.674 25137 180 1 . 1 1 33 33 VAL CA C 33 60.990 60.990 60.720 0.270 25137 181 1 . 1 1 33 33 VAL CB C 33 33.736 33.736 33.898 -0.162 25137 182 1 . 1 1 33 33 VAL H H 33 9.042 9.042 9.091 -0.050 25137 183 1 . 1 1 34 34 VAL N N 34 126.239 126.239 127.040 -0.801 25137 184 1 . 1 1 34 34 VAL HA H 34 4.751 4.751 4.379 0.372 25137 185 1 . 1 1 34 34 VAL C C 34 175.100 175.100 174.991 0.109 25137 186 1 . 1 1 34 34 VAL CA C 34 61.389 61.389 61.391 -0.002 25137 187 1 . 1 1 34 34 VAL CB C 34 33.193 33.193 32.725 0.468 25137 188 1 . 1 1 34 34 VAL H H 34 8.522 8.522 8.528 -0.006 25137 189 1 . 1 1 35 35 ALA N N 35 129.955 129.955 129.722 0.233 25137 190 1 . 1 1 35 35 ALA HA H 35 4.682 4.682 4.934 -0.252 25137 191 1 . 1 1 35 35 ALA C C 35 174.380 174.380 175.733 -1.353 25137 192 1 . 1 1 35 35 ALA CA C 35 50.154 50.154 50.617 -0.463 25137 193 1 . 1 1 35 35 ALA CB C 35 22.922 22.922 22.597 0.326 25137 194 1 . 1 1 35 35 ALA H H 35 9.388 9.388 8.950 0.438 25137 195 1 . 1 1 36 36 ALA N N 36 121.011 121.011 123.551 -2.540 25137 196 1 . 1 1 36 36 ALA HA H 36 4.632 4.632 4.670 -0.038 25137 197 1 . 1 1 36 36 ALA C C 36 176.490 176.490 176.586 -0.096 25137 198 1 . 1 1 36 36 ALA CA C 36 51.778 51.778 52.662 -0.884 25137 199 1 . 1 1 36 36 ALA CB C 36 21.506 21.506 19.647 1.859 25137 200 1 . 1 1 36 36 ALA H H 36 8.539 8.539 8.823 -0.284 25137 201 1 . 1 1 37 37 THR N N 37 102.880 102.880 107.112 -4.232 25137 202 1 . 1 1 37 37 THR HA H 37 4.620 4.620 4.526 0.094 25137 203 1 . 1 1 37 37 THR C C 37 174.710 174.710 175.482 -0.772 25137 204 1 . 1 1 37 37 THR CA C 37 57.520 57.520 59.620 -2.100 25137 205 1 . 1 1 37 37 THR CB C 37 72.972 72.972 72.069 0.903 25137 206 1 . 1 1 37 37 THR H H 37 7.019 7.019 7.298 -0.279 25137 207 1 . 1 1 38 38 CYS N N 38 120.553 120.553 120.379 0.174 25137 208 1 . 1 1 38 38 CYS HA H 38 3.677 3.677 4.094 -0.417 25137 209 1 . 1 1 38 38 CYS C C 38 176.020 176.020 176.914 -0.894 25137 210 1 . 1 1 38 38 CYS CA C 38 63.179 63.179 63.163 0.016 25137 211 1 . 1 1 38 38 CYS CB C 38 26.317 26.317 27.545 -1.228 25137 212 1 . 1 1 38 38 CYS H H 38 9.398 9.398 8.884 0.514 25137 213 1 . 1 1 39 39 GLU N N 39 118.521 118.521 120.712 -2.191 25137 214 1 . 1 1 39 39 GLU HA H 39 3.829 3.829 3.932 -0.103 25137 215 1 . 1 1 39 39 GLU C C 39 179.470 179.470 179.104 0.366 25137 216 1 . 1 1 39 39 GLU CA C 39 60.594 60.594 59.819 0.775 25137 217 1 . 1 1 39 39 GLU CB C 39 28.963 28.963 29.234 -0.271 25137 218 1 . 1 1 39 39 GLU H H 39 8.960 8.960 8.559 0.401 25137 219 1 . 1 1 40 40 GLN N N 40 118.602 118.602 118.677 -0.075 25137 220 1 . 1 1 40 40 GLN HA H 40 4.021 4.021 3.984 0.037 25137 221 1 . 1 1 40 40 GLN C C 40 176.211 176.211 178.396 -2.185 25137 222 1 . 1 1 40 40 GLN CA C 40 58.306 58.306 58.703 -0.398 25137 223 1 . 1 1 40 40 GLN CB C 40 28.925 28.925 28.521 0.404 25137 224 1 . 1 1 40 40 GLN H H 40 7.855 7.855 8.067 -0.212 25137 225 1 . 1 1 41 41 ALA N N 41 122.395 122.395 123.164 -0.769 25137 226 1 . 1 1 41 41 ALA HA H 41 3.735 3.735 3.970 -0.235 25137 227 1 . 1 1 41 41 ALA C C 41 178.440 178.440 179.473 -1.033 25137 228 1 . 1 1 41 41 ALA CA C 41 55.178 55.178 55.229 -0.051 25137 229 1 . 1 1 41 41 ALA CB C 41 19.872 19.872 18.408 1.464 25137 230 1 . 1 1 41 41 ALA H H 41 8.009 8.009 7.613 0.396 25137 231 1 . 1 1 42 42 LEU N N 42 116.832 116.832 118.390 -1.558 25137 232 1 . 1 1 42 42 LEU HA H 42 3.875 3.875 3.856 0.019 25137 233 1 . 1 1 42 42 LEU C C 42 180.080 180.080 179.117 0.963 25137 234 1 . 1 1 42 42 LEU CA C 42 58.011 58.011 57.596 0.415 25137 235 1 . 1 1 42 42 LEU CB C 42 40.961 40.961 41.211 -0.250 25137 236 1 . 1 1 42 42 LEU H H 42 8.497 8.497 8.543 -0.046 25137 237 1 . 1 1 43 43 LYS N N 43 121.087 121.087 120.216 0.871 25137 238 1 . 1 1 43 43 LYS HA H 43 4.065 4.065 3.929 0.135 25137 239 1 . 1 1 43 43 LYS C C 43 178.500 178.500 178.841 -0.341 25137 240 1 . 1 1 43 43 LYS CA C 43 59.256 59.256 59.506 -0.250 25137 241 1 . 1 1 43 43 LYS CB C 43 32.295 32.295 32.132 0.163 25137 242 1 . 1 1 43 43 LYS H H 43 7.593 7.593 8.066 -0.473 25137 243 1 . 1 1 44 44 SER N N 44 115.150 115.150 115.570 -0.420 25137 244 1 . 1 1 44 44 SER HA H 44 4.130 4.130 4.220 -0.090 25137 245 1 . 1 1 44 44 SER C C 44 176.430 176.430 176.840 -0.410 25137 246 1 . 1 1 44 44 SER CA C 44 62.900 62.900 61.443 1.457 25137 247 1 . 1 1 44 44 SER CB C 44 62.900 62.900 62.941 -0.041 25137 248 1 . 1 1 44 44 SER H H 44 8.100 8.100 7.908 0.192 25137 249 1 . 1 1 45 45 LEU N N 45 120.050 120.050 122.381 -2.331 25137 250 1 . 1 1 45 45 LEU HA H 45 4.121 4.121 4.045 0.076 25137 251 1 . 1 1 45 45 LEU C C 45 177.260 177.260 177.987 -0.727 25137 252 1 . 1 1 45 45 LEU CA C 45 56.770 56.770 57.594 -0.824 25137 253 1 . 1 1 45 45 LEU CB C 45 42.389 42.389 41.408 0.981 25137 254 1 . 1 1 45 45 LEU H H 45 8.050 8.050 8.417 -0.367 25137 255 1 . 1 1 46 46 ALA N N 46 119.940 119.940 119.773 0.167 25137 256 1 . 1 1 46 46 ALA HA H 46 4.093 4.093 4.117 -0.024 25137 257 1 . 1 1 46 46 ALA C C 46 179.310 179.310 179.246 0.064 25137 258 1 . 1 1 46 46 ALA CA C 46 54.126 54.126 54.279 -0.153 25137 259 1 . 1 1 46 46 ALA CB C 46 18.412 18.412 18.660 -0.248 25137 260 1 . 1 1 46 46 ALA H H 46 7.360 7.360 7.563 -0.203 25137 261 1 . 1 1 47 47 ASP N N 47 115.277 115.277 118.698 -3.421 25137 262 1 . 1 1 47 47 ASP HA H 47 4.610 4.610 4.559 0.051 25137 263 1 . 1 1 47 47 ASP C C 47 175.930 175.930 176.686 -0.756 25137 264 1 . 1 1 47 47 ASP CA C 47 55.087 55.087 55.556 -0.470 25137 265 1 . 1 1 47 47 ASP CB C 47 42.364 42.364 41.795 0.569 25137 266 1 . 1 1 47 47 ASP H H 47 7.583 7.583 8.259 -0.676 25137 267 1 . 1 1 48 48 ASN N N 48 116.977 116.977 116.645 0.332 25137 268 1 . 1 1 48 48 ASN HA H 48 5.219 5.219 5.129 0.090 25137 269 1 . 1 1 48 48 ASN CA C 48 51.096 51.096 50.979 0.117 25137 270 1 . 1 1 48 48 ASN CB C 48 42.381 42.381 40.261 2.120 25137 271 1 . 1 1 48 48 ASN H H 48 7.727 7.727 8.238 -0.511 25137 272 1 . 1 1 49 49 PRO HA H 49 4.551 4.551 4.612 -0.061 25137 273 1 . 1 1 49 49 PRO C C 49 174.890 174.890 175.471 -0.581 25137 274 1 . 1 1 49 49 PRO CA C 49 62.093 62.093 62.235 -0.142 25137 275 1 . 1 1 49 49 PRO CB C 49 29.940 29.940 31.067 -1.127 25137 276 1 . 1 1 50 50 ILE N N 50 122.280 122.280 123.947 -1.667 25137 277 1 . 1 1 50 50 ILE HA H 50 3.908 3.908 3.925 -0.017 25137 278 1 . 1 1 50 50 ILE C C 50 174.840 174.840 176.056 -1.216 25137 279 1 . 1 1 50 50 ILE CA C 50 58.580 58.580 60.878 -2.298 25137 280 1 . 1 1 50 50 ILE CB C 50 38.850 38.850 36.942 1.908 25137 281 1 . 1 1 50 50 ILE H H 50 7.420 7.420 7.861 -0.441 25137 282 1 . 1 1 51 51 ASP N N 51 123.770 123.770 126.903 -3.133 25137 283 1 . 1 1 51 51 ASP HA H 51 4.749 4.749 4.697 0.052 25137 284 1 . 1 1 51 51 ASP C C 51 175.114 175.114 175.793 -0.678 25137 285 1 . 1 1 51 51 ASP CA C 51 56.930 56.930 56.156 0.774 25137 286 1 . 1 1 51 51 ASP CB C 51 44.360 44.360 43.039 1.321 25137 287 1 . 1 1 51 51 ASP H H 51 9.310 9.310 8.726 0.584 25137 288 1 . 1 1 52 52 VAL N N 52 114.454 114.454 116.634 -2.180 25137 289 1 . 1 1 52 52 VAL HA H 52 4.874 4.874 4.949 -0.075 25137 290 1 . 1 1 52 52 VAL C C 52 171.129 171.129 173.072 -1.943 25137 291 1 . 1 1 52 52 VAL CA C 52 59.850 59.850 60.093 -0.242 25137 292 1 . 1 1 52 52 VAL CB C 52 32.980 32.980 35.284 -2.304 25137 293 1 . 1 1 52 52 VAL H H 52 7.580 7.580 7.619 -0.039 25137 294 1 . 1 1 53 53 ALA N N 53 124.620 124.620 126.245 -1.625 25137 295 1 . 1 1 53 53 ALA HA H 53 5.665 5.665 5.237 0.428 25137 296 1 . 1 1 53 53 ALA C C 53 175.100 175.100 175.028 0.072 25137 297 1 . 1 1 53 53 ALA CA C 53 49.810 49.810 50.274 -0.464 25137 298 1 . 1 1 53 53 ALA CB C 53 25.750 25.750 22.824 2.926 25137 299 1 . 1 1 53 53 ALA H H 53 7.780 7.780 8.577 -0.797 25137 300 1 . 1 1 54 54 VAL N N 54 118.950 118.950 117.020 1.930 25137 301 1 . 1 1 54 54 VAL HA H 54 4.647 4.647 5.093 -0.446 25137 302 1 . 1 1 54 54 VAL C C 54 174.020 174.020 174.166 -0.146 25137 303 1 . 1 1 54 54 VAL CA C 54 61.580 61.580 60.813 0.768 25137 304 1 . 1 1 54 54 VAL CB C 54 34.320 34.320 34.089 0.231 25137 305 1 . 1 1 54 54 VAL H H 54 8.730 8.730 8.914 -0.184 25137 306 1 . 1 1 55 55 LEU N N 55 124.820 124.820 128.711 -3.891 25137 307 1 . 1 1 55 55 LEU HA H 55 4.953 4.953 4.708 0.245 25137 308 1 . 1 1 55 55 LEU C C 55 176.110 176.110 175.423 0.687 25137 309 1 . 1 1 55 55 LEU CA C 55 53.540 53.540 53.969 -0.429 25137 310 1 . 1 1 55 55 LEU CB C 55 42.690 42.690 43.516 -0.826 25137 311 1 . 1 1 55 55 LEU H H 55 9.240 9.240 9.302 -0.062 25137 312 1 . 1 1 56 56 ASP N N 56 124.220 124.220 125.250 -1.030 25137 313 1 . 1 1 56 56 ASP HA H 56 5.629 5.629 4.951 0.678 25137 314 1 . 1 1 56 56 ASP C C 56 174.460 174.460 176.769 -2.309 25137 315 1 . 1 1 56 56 ASP CA C 56 52.930 52.930 53.543 -0.613 25137 316 1 . 1 1 56 56 ASP CB C 56 43.400 43.400 41.899 1.501 25137 317 1 . 1 1 56 56 ASP H H 56 8.360 8.360 8.764 -0.404 25137 318 1 . 1 1 57 57 VAL N N 57 119.581 119.581 123.882 -4.301 25137 319 1 . 1 1 57 57 VAL HA H 57 4.239 4.239 3.827 0.412 25137 320 1 . 1 1 57 57 VAL C C 57 175.480 175.480 176.015 -0.535 25137 321 1 . 1 1 57 57 VAL CA C 57 64.564 64.564 63.718 0.846 25137 322 1 . 1 1 57 57 VAL CB C 57 32.520 32.520 31.636 0.884 25137 323 1 . 1 1 57 57 VAL H H 57 7.022 7.022 8.249 -1.227 25137 324 1 . 1 1 58 58 ASN N N 58 114.490 114.490 117.244 -2.754 25137 325 1 . 1 1 58 58 ASN HA H 58 4.693 4.693 4.777 -0.084 25137 326 1 . 1 1 58 58 ASN C C 58 173.400 173.400 175.484 -2.084 25137 327 1 . 1 1 58 58 ASN CA C 58 53.570 53.570 52.015 1.555 25137 328 1 . 1 1 58 58 ASN CB C 58 38.820 38.820 37.990 0.830 25137 329 1 . 1 1 58 58 ASN H H 58 8.600 8.600 8.141 0.459 25137 330 1 . 1 1 59 59 LEU N N 59 130.670 130.670 120.185 10.485 25137 331 1 . 1 1 59 59 LEU HA H 59 4.647 4.647 4.241 0.406 25137 332 1 . 1 1 59 59 LEU C C 59 175.340 175.340 177.531 -2.191 25137 333 1 . 1 1 59 59 LEU CA C 59 53.550 53.550 56.103 -2.553 25137 334 1 . 1 1 59 59 LEU CB C 59 41.430 41.430 42.285 -0.855 25137 335 1 . 1 1 59 59 LEU H H 59 8.260 8.260 7.864 0.396 25137 336 1 . 1 1 60 60 GLY N N 60 109.030 109.030 103.874 5.156 25137 337 1 . 1 1 60 60 GLY CA C 60 44.610 44.610 45.119 -0.509 25137 338 1 . 1 1 60 60 GLY H H 60 7.860 7.860 7.664 0.196 25137 339 1 . 1 1 61 61 PRO HA H 61 4.385 4.385 4.303 0.082 25137 340 1 . 1 1 61 61 PRO C C 61 177.960 177.960 177.552 0.408 25137 341 1 . 1 1 61 61 PRO CA C 61 64.888 64.888 65.078 -0.190 25137 342 1 . 1 1 61 61 PRO CB C 61 32.070 32.070 32.328 -0.258 25137 343 1 . 1 1 62 62 LYS N N 62 115.984 115.984 114.378 1.606 25137 344 1 . 1 1 62 62 LYS HA H 62 4.524 4.524 4.502 0.022 25137 345 1 . 1 1 62 62 LYS C C 62 175.810 175.810 175.833 -0.023 25137 346 1 . 1 1 62 62 LYS CA C 62 55.444 55.444 56.211 -0.767 25137 347 1 . 1 1 62 62 LYS CB C 62 33.216 33.216 33.395 -0.179 25137 348 1 . 1 1 62 62 LYS H H 62 8.625 8.625 7.944 0.681 25137 349 1 . 1 1 63 63 SER N N 63 113.432 113.432 116.622 -3.190 25137 350 1 . 1 1 63 63 SER HA H 63 4.609 4.609 4.260 0.349 25137 351 1 . 1 1 63 63 SER C C 63 172.560 172.560 173.126 -0.566 25137 352 1 . 1 1 63 63 SER CA C 63 57.715 57.715 59.235 -1.520 25137 353 1 . 1 1 63 63 SER CB C 63 64.866 64.866 63.339 1.527 25137 354 1 . 1 1 63 63 SER H H 63 7.389 7.389 7.921 -0.532 25137 355 1 . 1 1 64 64 HIS N N 64 122.580 122.580 118.470 4.110 25137 356 1 . 1 1 64 64 HIS HA H 64 5.833 5.833 5.006 0.827 25137 357 1 . 1 1 64 64 HIS C C 64 176.210 176.210 175.027 1.183 25137 358 1 . 1 1 64 64 HIS CA C 64 54.006 54.006 53.991 0.015 25137 359 1 . 1 1 64 64 HIS CB C 64 34.092 34.092 32.862 1.230 25137 360 1 . 1 1 64 64 HIS H H 64 7.762 7.762 7.749 0.013 25137 361 1 . 1 1 65 65 CYS N N 65 111.478 111.478 121.663 -10.185 25137 362 1 . 1 1 65 65 CYS HA H 65 4.342 4.342 4.510 -0.168 25137 363 1 . 1 1 65 65 CYS C C 65 175.881 175.881 175.032 0.849 25137 364 1 . 1 1 65 65 CYS CA C 65 57.980 57.980 58.458 -0.478 25137 365 1 . 1 1 65 65 CYS CB C 65 29.790 29.790 26.264 3.526 25137 366 1 . 1 1 65 65 CYS H H 65 7.946 7.946 8.332 -0.386 25137 367 1 . 1 1 66 66 GLY N N 66 120.340 120.340 113.132 7.208 25137 368 1 . 1 1 66 66 GLY CA C 66 48.880 48.880 46.133 2.747 25137 369 1 . 1 1 66 66 GLY H H 66 11.290 11.290 8.228 3.062 25137 370 1 . 1 1 67 67 PRO HA H 67 4.386 4.386 4.258 0.128 25137 371 1 . 1 1 67 67 PRO C C 67 179.860 179.860 178.271 1.589 25137 372 1 . 1 1 67 67 PRO CA C 67 65.388 65.388 65.529 -0.141 25137 373 1 . 1 1 67 67 PRO CB C 67 32.970 32.970 31.405 1.565 25137 374 1 . 1 1 68 68 VAL N N 68 116.564 116.564 117.098 -0.534 25137 375 1 . 1 1 68 68 VAL HA H 68 3.494 3.494 3.579 -0.085 25137 376 1 . 1 1 68 68 VAL C C 68 176.350 176.350 177.470 -1.120 25137 377 1 . 1 1 68 68 VAL CA C 68 64.839 64.839 66.289 -1.450 25137 378 1 . 1 1 68 68 VAL CB C 68 31.396 31.396 31.135 0.261 25137 379 1 . 1 1 68 68 VAL H H 68 7.471 7.471 7.937 -0.466 25137 380 1 . 1 1 69 69 ALA N N 69 122.825 122.825 122.899 -0.074 25137 381 1 . 1 1 69 69 ALA HA H 69 3.085 3.085 3.332 -0.247 25137 382 1 . 1 1 69 69 ALA C C 69 179.280 179.280 179.115 0.165 25137 383 1 . 1 1 69 69 ALA CA C 69 55.209 55.209 55.197 0.012 25137 384 1 . 1 1 69 69 ALA CB C 69 18.141 18.141 18.058 0.083 25137 385 1 . 1 1 69 69 ALA H H 69 7.880 7.880 7.680 0.200 25137 386 1 . 1 1 70 70 ASP N N 70 116.269 116.269 118.955 -2.686 25137 387 1 . 1 1 70 70 ASP HA H 70 4.314 4.314 4.286 0.028 25137 388 1 . 1 1 70 70 ASP C C 70 178.300 178.300 178.206 0.094 25137 389 1 . 1 1 70 70 ASP CA C 70 57.530 57.530 57.705 -0.175 25137 390 1 . 1 1 70 70 ASP CB C 70 40.582 40.582 40.699 -0.117 25137 391 1 . 1 1 70 70 ASP H H 70 8.316 8.316 8.021 0.295 25137 392 1 . 1 1 71 71 ALA N N 71 122.771 122.771 122.612 0.159 25137 393 1 . 1 1 71 71 ALA HA H 71 4.045 4.045 4.063 -0.018 25137 394 1 . 1 1 71 71 ALA C C 71 180.700 180.700 179.891 0.809 25137 395 1 . 1 1 71 71 ALA CA C 71 55.062 55.062 55.025 0.037 25137 396 1 . 1 1 71 71 ALA CB C 71 18.675 18.675 18.355 0.320 25137 397 1 . 1 1 71 71 ALA H H 71 7.156 7.156 7.864 -0.708 25137 398 1 . 1 1 72 72 LEU N N 72 119.021 119.021 118.132 0.889 25137 399 1 . 1 1 72 72 LEU HA H 72 3.824 3.824 3.816 0.008 25137 400 1 . 1 1 72 72 LEU C C 72 179.560 179.560 179.356 0.204 25137 401 1 . 1 1 72 72 LEU CA C 72 58.351 58.351 57.591 0.760 25137 402 1 . 1 1 72 72 LEU CB C 72 40.437 40.437 41.254 -0.817 25137 403 1 . 1 1 72 72 LEU H H 72 8.250 8.250 8.179 0.071 25137 404 1 . 1 1 73 73 LYS N N 73 120.087 120.087 119.171 0.916 25137 405 1 . 1 1 73 73 LYS HA H 73 4.431 4.431 4.147 0.284 25137 406 1 . 1 1 73 73 LYS C C 73 181.310 181.310 179.928 1.382 25137 407 1 . 1 1 73 73 LYS CA C 73 59.307 59.307 59.067 0.240 25137 408 1 . 1 1 73 73 LYS CB C 73 32.404 32.404 31.818 0.586 25137 409 1 . 1 1 73 73 LYS H H 73 8.383 8.383 8.310 0.073 25137 410 1 . 1 1 74 74 GLN N N 74 118.982 118.982 118.511 0.471 25137 411 1 . 1 1 74 74 GLN HA H 74 4.074 4.074 4.140 -0.066 25137 412 1 . 1 1 74 74 GLN C C 74 177.620 177.620 177.795 -0.175 25137 413 1 . 1 1 74 74 GLN CA C 74 58.834 58.834 58.300 0.534 25137 414 1 . 1 1 74 74 GLN CB C 74 28.505 28.505 28.680 -0.175 25137 415 1 . 1 1 74 74 GLN H H 74 8.015 8.015 8.259 -0.244 25137 416 1 . 1 1 75 75 ARG N N 75 116.770 116.770 116.438 0.332 25137 417 1 . 1 1 75 75 ARG HA H 75 4.272 4.272 4.398 -0.126 25137 418 1 . 1 1 75 75 ARG C C 75 174.310 174.310 175.246 -0.936 25137 419 1 . 1 1 75 75 ARG CA C 75 55.950 55.950 55.476 0.474 25137 420 1 . 1 1 75 75 ARG CB C 75 31.780 31.780 30.446 1.334 25137 421 1 . 1 1 75 75 ARG H H 75 7.240 7.240 7.578 -0.338 25137 422 1 . 1 1 76 76 ALA N N 76 122.020 122.020 120.443 1.577 25137 423 1 . 1 1 76 76 ALA HA H 76 4.050 4.050 4.063 -0.013 25137 424 1 . 1 1 76 76 ALA C C 76 176.240 176.240 177.037 -0.797 25137 425 1 . 1 1 76 76 ALA CA C 76 53.170 53.170 52.834 0.336 25137 426 1 . 1 1 76 76 ALA CB C 76 16.650 16.650 17.094 -0.444 25137 427 1 . 1 1 76 76 ALA H H 76 8.065 8.065 7.449 0.616 25137 428 1 . 1 1 77 77 ILE N N 77 122.300 122.300 119.910 2.390 25137 429 1 . 1 1 77 77 ILE HA H 77 4.502 4.502 4.290 0.212 25137 430 1 . 1 1 77 77 ILE CA C 77 58.610 58.610 58.933 -0.323 25137 431 1 . 1 1 77 77 ILE CB C 77 40.000 40.000 38.808 1.192 25137 432 1 . 1 1 77 77 ILE H H 77 8.080 8.080 8.125 -0.045 25137 433 1 . 1 1 78 78 PRO HA H 78 4.454 4.454 4.571 -0.117 25137 434 1 . 1 1 78 78 PRO C C 78 174.680 174.680 175.455 -0.775 25137 435 1 . 1 1 78 78 PRO CA C 78 62.622 62.622 62.755 -0.133 25137 436 1 . 1 1 78 78 PRO CB C 78 32.772 32.772 32.181 0.591 25137 437 1 . 1 1 79 79 PHE N N 79 109.800 109.800 116.396 -6.596 25137 438 1 . 1 1 79 79 PHE HA H 79 5.656 5.656 5.519 0.137 25137 439 1 . 1 1 79 79 PHE C C 79 172.780 172.780 173.540 -0.760 25137 440 1 . 1 1 79 79 PHE CA C 79 55.612 55.612 55.771 -0.159 25137 441 1 . 1 1 79 79 PHE CB C 79 42.181 42.181 42.306 -0.125 25137 442 1 . 1 1 79 79 PHE H H 79 7.463 7.463 7.931 -0.468 25137 443 1 . 1 1 80 80 ILE N N 80 114.746 114.746 120.278 -5.532 25137 444 1 . 1 1 80 80 ILE HA H 80 4.545 4.545 4.608 -0.063 25137 445 1 . 1 1 80 80 ILE C C 80 174.750 174.750 175.210 -0.460 25137 446 1 . 1 1 80 80 ILE CA C 80 58.914 58.914 59.727 -0.813 25137 447 1 . 1 1 80 80 ILE CB C 80 43.079 43.079 42.121 0.958 25137 448 1 . 1 1 80 80 ILE H H 80 8.024 8.024 8.514 -0.490 25137 449 1 . 1 1 81 81 LEU N N 81 124.450 124.450 126.849 -2.399 25137 450 1 . 1 1 81 81 LEU HA H 81 5.470 5.470 5.074 0.396 25137 451 1 . 1 1 81 81 LEU C C 81 175.620 175.620 176.212 -0.592 25137 452 1 . 1 1 81 81 LEU CA C 81 53.345 53.345 53.321 0.024 25137 453 1 . 1 1 81 81 LEU CB C 81 43.304 43.304 39.977 3.327 25137 454 1 . 1 1 81 81 LEU H H 81 8.935 8.935 9.082 -0.147 25137 455 1 . 1 1 82 82 HIS N N 82 126.167 126.167 126.492 -0.325 25137 456 1 . 1 1 82 82 HIS HA H 82 5.880 5.880 5.388 0.492 25137 457 1 . 1 1 82 82 HIS C C 82 172.730 172.730 174.431 -1.701 25137 458 1 . 1 1 82 82 HIS CA C 82 52.947 52.947 53.918 -0.971 25137 459 1 . 1 1 82 82 HIS CB C 82 31.171 31.171 30.249 0.922 25137 460 1 . 1 1 82 82 HIS H H 82 8.828 8.828 8.624 0.204 25137 461 1 . 1 1 83 83 THR N N 83 114.001 114.001 118.927 -4.926 25137 462 1 . 1 1 83 83 THR HA H 83 5.305 5.305 4.851 0.454 25137 463 1 . 1 1 83 83 THR C C 83 172.800 172.800 173.923 -1.123 25137 464 1 . 1 1 83 83 THR CA C 83 58.807 58.807 60.323 -1.516 25137 465 1 . 1 1 83 83 THR CB C 83 69.366 69.366 71.001 -1.635 25137 466 1 . 1 1 83 83 THR H H 83 7.252 7.252 7.943 -0.691 25137 467 1 . 1 1 84 84 GLY N N 84 115.666 115.666 110.855 4.811 25137 468 1 . 1 1 84 84 GLY C C 84 173.764 173.764 173.905 -0.141 25137 469 1 . 1 1 84 84 GLY CA C 84 45.284 45.284 44.786 0.498 25137 470 1 . 1 1 84 84 GLY H H 84 8.483 8.483 8.865 -0.382 25137 471 1 . 1 1 85 85 ASP N N 85 123.490 123.490 120.910 2.580 25137 472 1 . 1 1 85 85 ASP HA H 85 4.982 4.982 4.903 0.079 25137 473 1 . 1 1 85 85 ASP C C 85 175.829 175.829 175.535 0.294 25137 474 1 . 1 1 85 85 ASP CA C 85 53.420 53.420 53.638 -0.218 25137 475 1 . 1 1 85 85 ASP CB C 85 41.560 41.560 41.916 -0.356 25137 476 1 . 1 1 85 85 ASP H H 85 8.510 8.510 7.908 0.602 25137 477 1 . 1 1 86 86 LEU N N 86 122.010 122.010 123.359 -1.350 25137 478 1 . 1 1 86 86 LEU HA H 86 3.997 3.997 4.386 -0.389 25137 479 1 . 1 1 86 86 LEU C C 86 178.242 178.242 177.452 0.790 25137 480 1 . 1 1 86 86 LEU CA C 86 57.410 57.410 56.601 0.809 25137 481 1 . 1 1 86 86 LEU CB C 86 42.000 42.000 42.600 -0.600 25137 482 1 . 1 1 86 86 LEU H H 86 8.210 8.210 8.307 -0.097 25137 483 1 . 1 1 87 87 ASP N N 87 117.260 117.260 119.181 -1.921 25137 484 1 . 1 1 87 87 ASP HA H 87 4.535 4.535 4.474 0.061 25137 485 1 . 1 1 87 87 ASP C C 87 178.351 178.351 178.660 -0.309 25137 486 1 . 1 1 87 87 ASP CA C 87 56.010 56.010 56.965 -0.955 25137 487 1 . 1 1 87 87 ASP CB C 87 41.400 41.400 40.784 0.616 25137 488 1 . 1 1 87 87 ASP H H 87 8.290 8.290 8.296 -0.006 25137 489 1 . 1 1 88 88 ARG N N 88 120.750 120.750 119.375 1.375 25137 490 1 . 1 1 88 88 ARG HA H 88 4.015 4.015 4.102 -0.087 25137 491 1 . 1 1 88 88 ARG C C 88 177.300 177.300 177.240 0.060 25137 492 1 . 1 1 88 88 ARG CA C 88 58.340 58.340 57.729 0.611 25137 493 1 . 1 1 88 88 ARG CB C 88 30.460 30.460 30.244 0.216 25137 494 1 . 1 1 88 88 ARG H H 88 8.040 8.040 8.299 -0.259 25137 495 1 . 1 1 89 89 HIS N N 89 115.580 115.580 115.848 -0.268 25137 496 1 . 1 1 89 89 HIS HA H 89 5.026 5.026 4.795 0.231 25137 497 1 . 1 1 89 89 HIS C C 89 175.670 175.670 175.592 0.078 25137 498 1 . 1 1 89 89 HIS CA C 89 55.300 55.300 55.337 -0.037 25137 499 1 . 1 1 89 89 HIS CB C 89 29.890 29.890 30.184 -0.294 25137 500 1 . 1 1 89 89 HIS H H 89 7.900 7.900 8.096 -0.196 25137 501 1 . 1 1 90 90 GLY N N 90 108.320 108.320 108.788 -0.468 25137 502 1 . 1 1 90 90 GLY C C 90 175.880 175.880 175.352 0.528 25137 503 1 . 1 1 90 90 GLY CA C 90 48.310 48.310 47.146 1.164 25137 504 1 . 1 1 90 90 GLY H H 90 7.790 7.790 7.786 0.004 25137 505 1 . 1 1 91 91 GLU N N 91 120.490 120.490 120.813 -0.323 25137 506 1 . 1 1 91 91 GLU HA H 91 4.043 4.043 4.048 -0.005 25137 507 1 . 1 1 91 91 GLU C C 91 178.410 178.410 178.445 -0.035 25137 508 1 . 1 1 91 91 GLU CA C 91 59.200 59.200 58.778 0.422 25137 509 1 . 1 1 91 91 GLU CB C 91 29.240 29.240 29.050 0.190 25137 510 1 . 1 1 91 91 GLU H H 91 8.580 8.580 8.276 0.304 25137 511 1 . 1 1 92 92 LEU N N 92 121.740 121.740 120.984 0.756 25137 512 1 . 1 1 92 92 LEU HA H 92 4.048 4.048 4.057 -0.009 25137 513 1 . 1 1 92 92 LEU C C 92 178.630 178.630 178.508 0.122 25137 514 1 . 1 1 92 92 LEU CA C 92 57.690 57.690 57.751 -0.061 25137 515 1 . 1 1 92 92 LEU CB C 92 41.820 41.820 41.826 -0.006 25137 516 1 . 1 1 92 92 LEU H H 92 7.690 7.690 7.822 -0.132 25137 517 1 . 1 1 93 93 LEU N N 93 117.310 117.310 118.433 -1.123 25137 518 1 . 1 1 93 93 LEU HA H 93 3.881 3.881 3.869 0.012 25137 519 1 . 1 1 93 93 LEU C C 93 174.967 174.967 178.991 -4.024 25137 520 1 . 1 1 93 93 LEU CA C 93 57.940 57.940 58.144 -0.204 25137 521 1 . 1 1 93 93 LEU CB C 93 40.640 40.640 40.933 -0.293 25137 522 1 . 1 1 93 93 LEU H H 93 8.160 8.160 8.272 -0.112 25137 523 1 . 1 1 94 94 ARG N N 94 117.940 117.940 118.405 -0.465 25137 524 1 . 1 1 94 94 ARG HA H 94 4.120 4.120 4.123 -0.003 25137 525 1 . 1 1 94 94 ARG C C 94 177.870 177.870 178.106 -0.236 25137 526 1 . 1 1 94 94 ARG CA C 94 58.450 58.450 58.681 -0.231 25137 527 1 . 1 1 94 94 ARG CB C 94 30.370 30.370 29.896 0.474 25137 528 1 . 1 1 94 94 ARG H H 94 7.770 7.770 7.927 -0.157 25137 529 1 . 1 1 95 95 LYS N N 95 118.380 118.380 118.122 0.258 25137 530 1 . 1 1 95 95 LYS HA H 95 4.160 4.160 4.158 0.002 25137 531 1 . 1 1 95 95 LYS C C 95 177.730 177.730 178.135 -0.405 25137 532 1 . 1 1 95 95 LYS CA C 95 57.600 57.600 58.633 -1.033 25137 533 1 . 1 1 95 95 LYS CB C 95 32.770 32.770 32.865 -0.095 25137 534 1 . 1 1 95 95 LYS H H 95 7.640 7.640 7.562 0.078 25137 535 1 . 1 1 96 96 ILE N N 96 120.160 120.160 117.759 2.401 25137 536 1 . 1 1 96 96 ILE HA H 96 3.781 3.781 3.939 -0.158 25137 537 1 . 1 1 96 96 ILE C C 96 175.840 175.840 175.844 -0.004 25137 538 1 . 1 1 96 96 ILE CA C 96 63.720 63.720 63.828 -0.108 25137 539 1 . 1 1 96 96 ILE CB C 96 38.670 38.670 38.826 -0.156 25137 540 1 . 1 1 96 96 ILE H H 96 7.980 7.980 7.760 0.220 25137 541 1 . 1 1 97 97 ASP N N 97 120.510 120.510 119.681 0.829 25137 542 1 . 1 1 97 97 ASP HA H 97 4.380 4.380 4.231 0.149 25137 543 1 . 1 1 97 97 ASP C C 97 173.580 173.580 173.980 -0.400 25137 544 1 . 1 1 97 97 ASP CA C 97 54.300 54.300 55.212 -0.912 25137 545 1 . 1 1 97 97 ASP CB C 97 39.490 39.490 40.109 -0.619 25137 546 1 . 1 1 97 97 ASP H H 97 8.160 8.160 8.237 -0.077 25137 547 1 . 1 1 98 98 ALA N N 98 123.800 123.800 123.566 0.234 25137 548 1 . 1 1 98 98 ALA HA H 98 4.550 4.550 4.571 -0.021 25137 549 1 . 1 1 98 98 ALA CA C 98 49.860 49.860 50.635 -0.775 25137 550 1 . 1 1 98 98 ALA CB C 98 21.070 21.070 20.405 0.665 25137 551 1 . 1 1 98 98 ALA H H 98 7.680 7.680 7.989 -0.309 25137 552 1 . 1 1 99 99 PRO HA H 99 4.370 4.370 4.467 -0.097 25137 553 1 . 1 1 99 99 PRO C C 99 174.760 174.760 175.487 -0.727 25137 554 1 . 1 1 99 99 PRO CA C 99 62.950 62.950 63.293 -0.343 25137 555 1 . 1 1 99 99 PRO CB C 99 32.310 32.310 32.025 0.285 25137 556 1 . 1 1 100 100 VAL N N 100 120.490 120.490 122.025 -1.535 25137 557 1 . 1 1 100 100 VAL HA H 100 4.832 4.832 4.693 0.139 25137 558 1 . 1 1 100 100 VAL C C 100 176.650 176.650 175.483 1.167 25137 559 1 . 1 1 100 100 VAL CA C 100 60.450 60.450 61.471 -1.021 25137 560 1 . 1 1 100 100 VAL CB C 100 34.830 34.830 34.514 0.316 25137 561 1 . 1 1 100 100 VAL H H 100 8.270 8.270 8.239 0.031 25137 562 1 . 1 1 101 101 MET N N 101 127.420 127.420 126.607 0.813 25137 563 1 . 1 1 101 101 MET HA H 101 4.705 4.705 4.745 -0.040 25137 564 1 . 1 1 101 101 MET C C 101 174.490 174.490 174.951 -0.461 25137 565 1 . 1 1 101 101 MET CA C 101 54.730 54.730 53.563 1.167 25137 566 1 . 1 1 101 101 MET CB C 101 34.560 34.560 33.405 1.155 25137 567 1 . 1 1 101 101 MET H H 101 9.240 9.240 9.169 0.071 25137 568 1 . 1 1 102 102 ALA N N 102 128.590 128.590 128.296 0.294 25137 569 1 . 1 1 102 102 ALA HA H 102 4.608 4.608 4.937 -0.329 25137 570 1 . 1 1 102 102 ALA C C 102 177.935 177.935 177.190 0.745 25137 571 1 . 1 1 102 102 ALA CA C 102 51.930 51.930 51.664 0.266 25137 572 1 . 1 1 102 102 ALA CB C 102 19.040 19.040 19.978 -0.938 25137 573 1 . 1 1 102 102 ALA H H 102 8.760 8.760 8.521 0.239 25137 574 1 . 1 1 103 103 LYS N N 103 120.200 120.200 123.271 -3.071 25137 575 1 . 1 1 103 103 LYS HA H 103 4.284 4.284 4.910 -0.626 25137 576 1 . 1 1 103 103 LYS CA C 103 54.370 54.370 54.329 0.041 25137 577 1 . 1 1 103 103 LYS CB C 103 34.190 34.190 32.305 1.885 25137 578 1 . 1 1 103 103 LYS H H 103 7.300 7.300 8.074 -0.774 25137 579 1 . 1 1 104 104 PRO HA H 104 4.611 4.611 4.524 0.087 25137 580 1 . 1 1 104 104 PRO C C 104 174.980 174.980 175.686 -0.706 25137 581 1 . 1 1 104 104 PRO CA C 104 62.626 62.626 62.764 -0.138 25137 582 1 . 1 1 104 104 PRO CB C 104 33.867 33.867 32.227 1.640 25137 583 1 . 1 1 105 105 ALA N N 105 125.082 125.082 124.856 0.226 25137 584 1 . 1 1 105 105 ALA HA H 105 4.576 4.576 4.484 0.092 25137 585 1 . 1 1 105 105 ALA C C 105 176.890 176.890 175.993 0.897 25137 586 1 . 1 1 105 105 ALA CA C 105 51.177 51.177 51.286 -0.109 25137 587 1 . 1 1 105 105 ALA CB C 105 21.735 21.735 21.460 0.275 25137 588 1 . 1 1 105 105 ALA H H 105 8.668 8.668 8.194 0.474 25137 589 1 . 1 1 106 106 ASP N N 106 122.306 122.306 123.623 -1.317 25137 590 1 . 1 1 106 106 ASP HA H 106 4.636 4.636 4.628 0.008 25137 591 1 . 1 1 106 106 ASP C C 106 178.383 178.383 177.655 0.728 25137 592 1 . 1 1 106 106 ASP CA C 106 54.312 54.312 54.137 0.175 25137 593 1 . 1 1 106 106 ASP CB C 106 41.260 41.260 42.459 -1.199 25137 594 1 . 1 1 106 106 ASP H H 106 8.867 8.867 8.465 0.402 25137 595 1 . 1 1 107 107 THR N N 107 119.540 119.540 118.106 1.434 25137 596 1 . 1 1 107 107 THR HA H 107 3.573 3.573 4.007 -0.434 25137 597 1 . 1 1 107 107 THR C C 107 176.393 176.393 176.263 0.130 25137 598 1 . 1 1 107 107 THR CA C 107 65.940 65.940 64.911 1.029 25137 599 1 . 1 1 107 107 THR CB C 107 68.191 68.191 68.739 -0.548 25137 600 1 . 1 1 107 107 THR H H 107 8.658 8.658 8.519 0.139 25137 601 1 . 1 1 108 108 SER N N 108 117.095 117.095 117.421 -0.326 25137 602 1 . 1 1 108 108 SER HA H 108 4.140 4.140 4.047 0.093 25137 603 1 . 1 1 108 108 SER C C 108 176.143 176.143 176.011 0.132 25137 604 1 . 1 1 108 108 SER CA C 108 61.650 61.650 62.177 -0.527 25137 605 1 . 1 1 108 108 SER CB C 108 62.450 62.450 62.683 -0.233 25137 606 1 . 1 1 108 108 SER H H 108 8.480 8.480 8.420 0.060 25137 607 1 . 1 1 109 109 ASP N N 109 122.520 122.520 123.182 -0.662 25137 608 1 . 1 1 109 109 ASP HA H 109 4.400 4.400 4.386 0.014 25137 609 1 . 1 1 109 109 ASP C C 109 178.499 178.499 178.454 0.045 25137 610 1 . 1 1 109 109 ASP CA C 109 56.990 56.990 57.697 -0.707 25137 611 1 . 1 1 109 109 ASP CB C 109 40.560 40.560 40.693 -0.133 25137 612 1 . 1 1 109 109 ASP H H 109 7.350 7.350 7.668 -0.318 25137 613 1 . 1 1 110 110 VAL N N 110 120.210 120.210 119.901 0.309 25137 614 1 . 1 1 110 110 VAL HA H 110 3.262 3.262 3.576 -0.314 25137 615 1 . 1 1 110 110 VAL C C 110 176.535 176.535 177.915 -1.380 25137 616 1 . 1 1 110 110 VAL CA C 110 66.090 66.090 66.088 0.002 25137 617 1 . 1 1 110 110 VAL CB C 110 31.400 31.400 31.161 0.239 25137 618 1 . 1 1 110 110 VAL H H 110 7.440 7.440 7.861 -0.421 25137 619 1 . 1 1 111 111 ALA N N 111 118.790 118.790 121.709 -2.919 25137 620 1 . 1 1 111 111 ALA HA H 111 3.264 3.264 2.753 0.511 25137 621 1 . 1 1 111 111 ALA C C 111 179.030 179.030 179.210 -0.180 25137 622 1 . 1 1 111 111 ALA CA C 111 54.590 54.590 54.759 -0.169 25137 623 1 . 1 1 111 111 ALA CB C 111 16.480 16.480 17.455 -0.975 25137 624 1 . 1 1 111 111 ALA H H 111 7.610 7.610 7.871 -0.261 25137 625 1 . 1 1 112 112 LYS N N 112 115.540 115.540 118.394 -2.854 25137 626 1 . 1 1 112 112 LYS HA H 112 3.750 3.750 3.899 -0.149 25137 627 1 . 1 1 112 112 LYS C C 112 179.470 179.470 179.253 0.217 25137 628 1 . 1 1 112 112 LYS CA C 112 60.020 60.020 59.673 0.347 25137 629 1 . 1 1 112 112 LYS CB C 112 32.680 32.680 32.269 0.411 25137 630 1 . 1 1 112 112 LYS H H 112 7.840 7.840 7.992 -0.152 25137 631 1 . 1 1 113 113 ARG N N 113 118.590 118.590 117.835 0.755 25137 632 1 . 1 1 113 113 ARG HA H 113 4.021 4.021 4.211 -0.190 25137 633 1 . 1 1 113 113 ARG C C 113 179.120 179.120 178.653 0.467 25137 634 1 . 1 1 113 113 ARG CA C 113 58.180 58.180 58.100 0.081 25137 635 1 . 1 1 113 113 ARG CB C 113 29.530 29.530 29.519 0.011 25137 636 1 . 1 1 113 113 ARG H H 113 7.860 7.860 8.020 -0.160 25137 637 1 . 1 1 114 114 ALA N N 114 120.520 120.520 122.159 -1.639 25137 638 1 . 1 1 114 114 ALA HA H 114 4.046 4.046 4.247 -0.201 25137 639 1 . 1 1 114 114 ALA C C 114 179.280 179.280 179.796 -0.516 25137 640 1 . 1 1 114 114 ALA CA C 114 55.070 55.070 54.819 0.251 25137 641 1 . 1 1 114 114 ALA CB C 114 17.920 17.920 18.934 -1.014 25137 642 1 . 1 1 114 114 ALA H H 114 8.190 8.190 7.590 0.600 25137 643 1 . 1 1 115 115 LEU N N 115 115.820 115.820 118.708 -2.888 25137 644 1 . 1 1 115 115 LEU HA H 115 4.225 4.225 4.111 0.114 25137 645 1 . 1 1 115 115 LEU C C 115 180.490 180.490 179.232 1.258 25137 646 1 . 1 1 115 115 LEU CA C 115 57.600 57.600 57.381 0.219 25137 647 1 . 1 1 115 115 LEU CB C 115 40.590 40.590 41.733 -1.143 25137 648 1 . 1 1 115 115 LEU H H 115 8.320 8.320 8.554 -0.234 25137 649 1 . 1 1 116 116 GLU N N 116 119.789 119.789 118.971 0.818 25137 650 1 . 1 1 116 116 GLU HA H 116 4.109 4.109 4.077 0.032 25137 651 1 . 1 1 116 116 GLU C C 116 178.790 178.790 178.709 0.081 25137 652 1 . 1 1 116 116 GLU CA C 116 58.625 58.625 58.956 -0.331 25137 653 1 . 1 1 116 116 GLU CB C 116 29.548 29.548 29.128 0.420 25137 654 1 . 1 1 116 116 GLU H H 116 7.904 7.904 8.289 -0.385 25137 655 1 . 1 1 117 117 MET N N 117 116.426 116.426 117.089 -0.663 25137 656 1 . 1 1 117 117 MET HA H 117 4.245 4.245 4.332 -0.087 25137 657 1 . 1 1 117 117 MET C C 117 176.890 176.890 177.357 -0.467 25137 658 1 . 1 1 117 117 MET CA C 117 57.638 57.638 57.691 -0.052 25137 659 1 . 1 1 117 117 MET CB C 117 33.467 33.467 33.108 0.359 25137 660 1 . 1 1 117 117 MET H H 117 7.712 7.712 7.636 0.076 25137 661 1 . 1 1 118 118 CYS N N 118 113.993 113.993 117.396 -3.403 25137 662 1 . 1 1 118 118 CYS HA H 118 4.699 4.699 4.532 0.167 25137 663 1 . 1 1 118 118 CYS C C 118 174.750 174.750 175.759 -1.009 25137 664 1 . 1 1 118 118 CYS CA C 118 58.541 58.541 58.712 -0.171 25137 665 1 . 1 1 118 118 CYS CB C 118 28.552 28.552 28.319 0.233 25137 666 1 . 1 1 118 118 CYS H H 118 7.428 7.428 7.592 -0.164 25137 667 1 . 1 1 119 119 GLY N N 119 109.823 109.823 109.483 0.340 25137 668 1 . 1 1 119 119 GLY C C 119 174.660 174.660 174.326 0.334 25137 669 1 . 1 1 119 119 GLY CA C 119 45.709 45.709 45.258 0.451 25137 670 1 . 1 1 119 119 GLY H H 119 8.056 8.056 8.041 0.015 25137 671 1 . 1 1 120 120 GLY N N 120 108.821 108.821 110.155 -1.334 25137 672 1 . 1 1 120 120 GLY C C 120 173.790 173.790 173.835 -0.045 25137 673 1 . 1 1 120 120 GLY CA C 120 45.326 45.326 45.190 0.136 25137 674 1 . 1 1 120 120 GLY H H 120 8.301 8.301 8.041 0.260 25137 675 1 . 1 1 121 121 ASP N N 121 120.383 120.383 120.468 -0.085 25137 676 1 . 1 1 121 121 ASP HA H 121 4.591 4.591 4.590 0.001 25137 677 1 . 1 1 121 121 ASP C C 121 176.160 176.160 175.483 0.677 25137 678 1 . 1 1 121 121 ASP CA C 121 54.313 54.313 54.226 0.087 25137 679 1 . 1 1 121 121 ASP CB C 121 41.079 41.079 41.086 -0.007 25137 680 1 . 1 1 121 121 ASP H H 121 8.438 8.438 8.224 0.214 25137 681 1 . 1 1 122 122 LYS N N 122 121.450 121.450 122.161 -0.711 25137 682 1 . 1 1 122 122 LYS HA H 122 4.350 4.350 4.425 -0.075 25137 683 1 . 1 1 122 122 LYS C C 122 177.184 177.184 175.683 1.501 25137 684 1 . 1 1 122 122 LYS CA C 122 55.890 55.890 56.000 -0.110 25137 685 1 . 1 1 122 122 LYS CB C 122 33.190 33.190 33.294 -0.104 25137 686 1 . 1 1 122 122 LYS H H 122 8.258 8.258 8.133 0.125 25137 687 1 . 1 1 123 123 GLU N N 123 123.560 123.560 124.687 -1.127 25137 688 1 . 1 1 123 123 GLU HA H 123 4.550 4.550 4.501 0.049 25137 689 1 . 1 1 123 123 GLU CA C 123 54.470 54.470 54.294 0.176 25137 690 1 . 1 1 123 123 GLU CB C 123 29.640 29.640 29.796 -0.156 25137 691 1 . 1 1 123 123 GLU H H 123 8.420 8.420 8.481 -0.061 25137 692 1 . 1 1 124 124 PRO HA H 124 4.384 4.384 4.455 -0.072 25137 693 1 . 1 1 124 124 PRO C C 124 175.770 175.770 175.695 0.074 25137 694 1 . 1 1 124 124 PRO CA C 124 63.350 63.350 62.991 0.358 25137 695 1 . 1 1 124 124 PRO CB C 124 32.300 32.300 31.338 0.962 25137 stop_ save_