data_19311 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19311 _Entry.PDB_ID 2M9V 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 19311 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 13 13 THR C C 13 174.300 174.300 175.785 -1.485 19311 2 1 1 . 1 1 13 13 THR CA C 13 61.472 61.472 65.578 -4.106 19311 3 1 1 . 1 1 13 13 THR CB C 13 69.201 69.201 68.959 0.242 19311 4 1 1 . 1 1 14 14 ASP N N 14 123.228 123.228 120.363 2.865 19311 5 1 1 . 1 1 14 14 ASP C C 14 176.245 176.245 177.384 -1.139 19311 6 1 1 . 1 1 14 14 ASP CA C 14 53.996 53.996 54.601 -0.605 19311 7 1 1 . 1 1 14 14 ASP CB C 14 41.601 41.601 39.940 1.661 19311 8 1 1 . 1 1 14 14 ASP H H 14 8.321 8.321 7.884 0.437 19311 9 1 1 . 1 1 15 15 SER N N 15 115.463 115.463 116.515 -1.052 19311 10 1 1 . 1 1 15 15 SER C C 15 175.991 175.991 176.460 -0.469 19311 11 1 1 . 1 1 15 15 SER CA C 15 58.020 58.020 61.162 -3.142 19311 12 1 1 . 1 1 15 15 SER CB C 15 63.080 63.080 63.056 0.024 19311 13 1 1 . 1 1 15 15 SER H H 15 8.403 8.403 7.667 0.736 19311 14 1 1 . 1 1 16 16 VAL N N 16 124.538 124.538 121.726 2.812 19311 15 1 1 . 1 1 16 16 VAL C C 16 176.097 176.097 176.653 -0.556 19311 16 1 1 . 1 1 16 16 VAL CA C 16 62.750 62.750 64.805 -2.055 19311 17 1 1 . 1 1 16 16 VAL CB C 16 30.859 30.859 31.591 -0.732 19311 18 1 1 . 1 1 16 16 VAL H H 16 8.139 8.139 7.603 0.536 19311 19 1 1 . 1 1 17 17 PHE N N 17 119.242 119.242 114.471 4.771 19311 20 1 1 . 1 1 17 17 PHE C C 17 176.086 176.086 174.628 1.458 19311 21 1 1 . 1 1 17 17 PHE CA C 17 58.934 58.934 57.067 1.867 19311 22 1 1 . 1 1 17 17 PHE CB C 17 38.133 38.133 38.836 -0.703 19311 23 1 1 . 1 1 17 17 PHE H H 17 7.575 7.575 7.660 -0.085 19311 24 1 1 . 1 1 18 18 LEU N N 18 121.292 121.292 123.454 -2.162 19311 25 1 1 . 1 1 18 18 LEU C C 18 173.871 173.871 175.383 -1.512 19311 26 1 1 . 1 1 18 18 LEU CA C 18 54.048 54.048 54.408 -0.360 19311 27 1 1 . 1 1 18 18 LEU CB C 18 41.529 41.529 42.712 -1.183 19311 28 1 1 . 1 1 18 18 LEU H H 18 7.586 7.586 7.554 0.032 19311 29 1 1 . 1 1 19 19 GLN N N 19 128.124 128.124 126.815 1.309 19311 30 1 1 . 1 1 19 19 GLN CA C 19 53.131 53.131 52.443 0.688 19311 31 1 1 . 1 1 19 19 GLN CB C 19 30.299 30.299 30.209 0.090 19311 32 1 1 . 1 1 19 19 GLN H H 19 8.893 8.893 8.239 0.654 19311 33 1 1 . 1 1 20 20 PRO C C 20 176.974 176.974 176.187 0.787 19311 34 1 1 . 1 1 20 20 PRO CA C 20 62.459 62.459 63.793 -1.334 19311 35 1 1 . 1 1 20 20 PRO CB C 20 29.693 29.693 31.331 -1.638 19311 36 1 1 . 1 1 21 21 TRP N N 21 126.042 126.042 122.732 3.310 19311 37 1 1 . 1 1 21 21 TRP C C 21 176.624 176.624 176.162 0.462 19311 38 1 1 . 1 1 21 21 TRP CA C 21 58.241 58.241 57.106 1.135 19311 39 1 1 . 1 1 21 21 TRP CB C 21 31.457 31.457 30.352 1.105 19311 40 1 1 . 1 1 21 21 TRP H H 21 9.813 9.813 9.254 0.559 19311 41 1 1 . 1 1 22 22 ILE N N 22 128.281 128.281 123.233 5.048 19311 42 1 1 . 1 1 22 22 ILE C C 22 176.776 176.776 177.095 -0.319 19311 43 1 1 . 1 1 22 22 ILE CA C 22 66.628 66.628 65.118 1.510 19311 44 1 1 . 1 1 22 22 ILE CB C 22 37.455 37.455 36.981 0.474 19311 45 1 1 . 1 1 22 22 ILE H H 22 8.438 8.438 7.978 0.460 19311 46 1 1 . 1 1 23 23 LYS N N 23 121.661 121.661 121.177 0.484 19311 47 1 1 . 1 1 23 23 LYS C C 23 177.812 177.812 178.194 -0.382 19311 48 1 1 . 1 1 23 23 LYS CA C 23 60.467 60.467 60.127 0.340 19311 49 1 1 . 1 1 23 23 LYS CB C 23 31.055 31.055 32.074 -1.019 19311 50 1 1 . 1 1 23 23 LYS H H 23 9.062 9.062 7.770 1.292 19311 51 1 1 . 1 1 24 24 ALA N N 24 120.454 120.454 121.497 -1.043 19311 52 1 1 . 1 1 24 24 ALA C C 24 179.285 179.285 179.719 -0.434 19311 53 1 1 . 1 1 24 24 ALA CA C 24 54.076 54.076 54.804 -0.728 19311 54 1 1 . 1 1 24 24 ALA CB C 24 17.220 17.220 18.118 -0.898 19311 55 1 1 . 1 1 24 24 ALA H H 24 8.447 8.447 8.105 0.342 19311 56 1 1 . 1 1 25 25 LEU N N 25 120.482 120.482 119.966 0.516 19311 57 1 1 . 1 1 25 25 LEU C C 25 180.269 180.269 178.827 1.442 19311 58 1 1 . 1 1 25 25 LEU CA C 25 58.102 58.102 57.811 0.291 19311 59 1 1 . 1 1 25 25 LEU CB C 25 41.636 41.636 41.899 -0.263 19311 60 1 1 . 1 1 25 25 LEU H H 25 8.071 8.071 7.774 0.297 19311 61 1 1 . 1 1 26 26 ILE N N 26 119.868 119.868 118.058 1.810 19311 62 1 1 . 1 1 26 26 ILE C C 26 179.617 179.617 179.043 0.574 19311 63 1 1 . 1 1 26 26 ILE CA C 26 63.547 63.547 65.086 -1.539 19311 64 1 1 . 1 1 26 26 ILE CB C 26 35.786 35.786 38.103 -2.317 19311 65 1 1 . 1 1 26 26 ILE H H 26 8.158 8.158 7.814 0.344 19311 66 1 1 . 1 1 27 27 GLU N N 27 122.067 122.067 120.731 1.336 19311 67 1 1 . 1 1 27 27 GLU C C 27 179.103 179.103 179.182 -0.079 19311 68 1 1 . 1 1 27 27 GLU CA C 27 59.138 59.138 59.851 -0.713 19311 69 1 1 . 1 1 27 27 GLU CB C 27 28.461 28.461 29.630 -1.169 19311 70 1 1 . 1 1 27 27 GLU H H 27 8.543 8.543 8.539 0.004 19311 71 1 1 . 1 1 28 28 ASP N N 28 119.228 119.228 116.603 2.625 19311 72 1 1 . 1 1 28 28 ASP C C 28 176.992 176.992 176.599 0.393 19311 73 1 1 . 1 1 28 28 ASP CA C 28 55.657 55.657 55.784 -0.127 19311 74 1 1 . 1 1 28 28 ASP CB C 28 40.403 40.403 41.081 -0.678 19311 75 1 1 . 1 1 28 28 ASP H H 28 8.396 8.396 8.331 0.065 19311 76 1 1 . 1 1 29 29 ASN N N 29 117.545 117.545 117.031 0.514 19311 77 1 1 . 1 1 29 29 ASN C C 29 174.277 174.277 175.497 -1.220 19311 78 1 1 . 1 1 29 29 ASN CA C 29 53.694 53.694 52.768 0.926 19311 79 1 1 . 1 1 29 29 ASN CB C 29 40.069 40.069 39.711 0.358 19311 80 1 1 . 1 1 29 29 ASN H H 29 7.536 7.536 7.778 -0.242 19311 81 1 1 . 1 1 30 30 SER N N 30 115.444 115.444 116.245 -0.801 19311 82 1 1 . 1 1 30 30 SER C C 30 173.942 173.942 174.811 -0.869 19311 83 1 1 . 1 1 30 30 SER CA C 30 58.804 58.804 60.025 -1.221 19311 84 1 1 . 1 1 30 30 SER CB C 30 63.838 63.838 63.706 0.133 19311 85 1 1 . 1 1 30 30 SER H H 30 7.704 7.704 7.686 0.018 19311 86 1 1 . 1 1 31 31 GLU N N 31 122.456 122.456 123.686 -1.230 19311 87 1 1 . 1 1 31 31 GLU C C 31 176.234 176.234 176.155 0.079 19311 88 1 1 . 1 1 31 31 GLU CA C 31 55.633 55.633 55.538 0.095 19311 89 1 1 . 1 1 31 31 GLU CB C 31 29.619 29.619 28.376 1.243 19311 90 1 1 . 1 1 31 31 GLU H H 31 8.287 8.287 8.390 -0.103 19311 91 1 1 . 1 1 32 32 HIS N N 32 120.953 120.953 120.665 0.288 19311 92 1 1 . 1 1 32 32 HIS C C 32 174.779 174.779 174.994 -0.215 19311 93 1 1 . 1 1 32 32 HIS CA C 32 56.355 56.355 57.822 -1.467 19311 94 1 1 . 1 1 32 32 HIS CB C 32 29.467 29.467 29.493 -0.026 19311 95 1 1 . 1 1 32 32 HIS H H 32 8.207 8.207 7.901 0.306 19311 96 1 1 . 1 1 33 33 ASP N N 33 120.471 120.471 117.996 2.475 19311 97 1 1 . 1 1 33 33 ASP C C 33 175.225 175.225 176.440 -1.215 19311 98 1 1 . 1 1 33 33 ASP CA C 33 54.277 54.277 54.726 -0.449 19311 99 1 1 . 1 1 33 33 ASP CB C 33 40.007 40.007 40.592 -0.585 19311 100 1 1 . 1 1 33 33 ASP H H 33 8.256 8.256 8.146 0.110 19311 101 1 1 . 1 1 34 34 GLN N N 34 118.522 118.522 116.646 1.876 19311 102 1 1 . 1 1 34 34 GLN C C 34 175.275 175.275 176.231 -0.956 19311 103 1 1 . 1 1 34 34 GLN CA C 34 55.388 55.388 55.097 0.291 19311 104 1 1 . 1 1 34 34 GLN CB C 34 28.586 28.586 30.467 -1.881 19311 105 1 1 . 1 1 34 34 GLN H H 34 7.854 7.854 7.615 0.239 19311 106 1 1 . 1 1 35 35 TYR N N 35 120.831 120.831 122.557 -1.726 19311 107 1 1 . 1 1 35 35 TYR C C 35 174.882 174.882 175.120 -0.238 19311 108 1 1 . 1 1 35 35 TYR CA C 35 56.752 56.752 59.151 -2.399 19311 109 1 1 . 1 1 35 35 TYR CB C 35 36.712 36.712 38.662 -1.950 19311 110 1 1 . 1 1 35 35 TYR H H 35 8.072 8.072 7.806 0.266 19311 111 1 1 . 1 1 36 36 HIS N N 36 121.429 121.429 128.807 -7.378 19311 112 1 1 . 1 1 36 36 HIS CA C 36 53.280 53.280 56.200 -2.920 19311 113 1 1 . 1 1 36 36 HIS CB C 36 29.223 29.223 30.405 -1.182 19311 114 1 1 . 1 1 36 36 HIS H H 36 7.788 7.788 8.298 -0.510 19311 115 1 1 . 1 1 37 37 PRO C C 37 177.021 177.021 176.739 0.282 19311 116 1 1 . 1 1 37 37 PRO CA C 37 62.947 62.947 64.854 -1.907 19311 117 1 1 . 1 1 37 37 PRO CB C 37 31.735 31.735 31.953 -0.218 19311 118 1 1 . 1 1 38 38 SER N N 38 117.550 117.550 111.957 5.593 19311 119 1 1 . 1 1 38 38 SER C C 38 174.281 174.281 174.092 0.189 19311 120 1 1 . 1 1 38 38 SER CA C 38 57.494 57.494 57.665 -0.171 19311 121 1 1 . 1 1 38 38 SER CB C 38 63.795 63.795 64.320 -0.525 19311 122 1 1 . 1 1 38 38 SER H H 38 8.808 8.808 8.326 0.482 19311 123 1 1 . 1 1 39 39 GLY N N 39 113.547 113.547 111.257 2.290 19311 124 1 1 . 1 1 39 39 GLY C C 39 173.690 173.690 173.967 -0.277 19311 125 1 1 . 1 1 39 39 GLY CA C 39 44.463 44.463 44.431 0.032 19311 126 1 1 . 1 1 39 39 GLY H H 39 8.564 8.564 7.764 0.800 19311 127 1 1 . 1 1 40 40 HIS N N 40 121.529 121.529 123.214 -1.685 19311 128 1 1 . 1 1 40 40 HIS C C 40 175.794 175.794 175.966 -0.172 19311 129 1 1 . 1 1 40 40 HIS CA C 40 55.796 55.796 58.096 -2.300 19311 130 1 1 . 1 1 40 40 HIS CB C 40 26.887 26.887 30.173 -3.286 19311 131 1 1 . 1 1 40 40 HIS H H 40 9.071 9.071 8.267 0.804 19311 132 1 1 . 1 1 41 41 VAL N N 41 115.423 115.423 118.612 -3.189 19311 133 1 1 . 1 1 41 41 VAL C C 41 176.247 176.247 175.684 0.563 19311 134 1 1 . 1 1 41 41 VAL CA C 41 62.424 62.424 62.734 -0.310 19311 135 1 1 . 1 1 41 41 VAL CB C 41 31.201 31.201 33.293 -2.092 19311 136 1 1 . 1 1 41 41 VAL H H 41 8.201 8.201 8.600 -0.399 19311 137 1 1 . 1 1 42 42 ILE N N 42 120.213 120.213 121.084 -0.871 19311 138 1 1 . 1 1 42 42 ILE CA C 42 58.655 58.655 57.868 0.786 19311 139 1 1 . 1 1 42 42 ILE CB C 42 39.579 39.579 39.869 -0.290 19311 140 1 1 . 1 1 42 42 ILE H H 42 7.305 7.305 8.119 -0.814 19311 141 1 1 . 1 1 43 43 PRO C C 43 177.076 177.076 176.453 0.623 19311 142 1 1 . 1 1 43 43 PRO CA C 43 62.446 62.446 63.099 -0.653 19311 143 1 1 . 1 1 43 43 PRO CB C 43 32.486 32.486 32.491 -0.005 19311 144 1 1 . 1 1 44 44 SER N N 44 116.530 116.530 115.422 1.108 19311 145 1 1 . 1 1 44 44 SER C C 44 173.398 173.398 174.265 -0.867 19311 146 1 1 . 1 1 44 44 SER CA C 44 57.636 57.636 58.113 -0.477 19311 147 1 1 . 1 1 44 44 SER CB C 44 63.032 63.032 64.477 -1.445 19311 148 1 1 . 1 1 44 44 SER H H 44 8.436 8.436 8.255 0.181 19311 149 1 1 . 1 1 45 45 LEU N N 45 127.441 127.441 121.918 5.523 19311 150 1 1 . 1 1 45 45 LEU C C 45 178.103 178.103 176.853 1.250 19311 151 1 1 . 1 1 45 45 LEU CA C 45 52.534 52.534 53.792 -1.258 19311 152 1 1 . 1 1 45 45 LEU CB C 45 42.737 42.737 45.506 -2.769 19311 153 1 1 . 1 1 45 45 LEU H H 45 9.947 9.947 9.020 0.927 19311 154 1 1 . 1 1 46 46 THR N N 46 114.571 114.571 113.390 1.181 19311 155 1 1 . 1 1 46 46 THR C C 46 175.217 175.217 175.123 0.094 19311 156 1 1 . 1 1 46 46 THR CA C 46 60.441 60.441 60.386 0.056 19311 157 1 1 . 1 1 46 46 THR CB C 46 71.156 71.156 70.800 0.356 19311 158 1 1 . 1 1 46 46 THR H H 46 9.328 9.328 9.017 0.311 19311 159 1 1 . 1 1 47 47 LYS N N 47 120.404 120.404 121.323 -0.919 19311 160 1 1 . 1 1 47 47 LYS C C 47 179.434 179.434 178.574 0.860 19311 161 1 1 . 1 1 47 47 LYS CA C 47 59.340 59.340 60.067 -0.727 19311 162 1 1 . 1 1 47 47 LYS CB C 47 30.960 30.960 31.993 -1.033 19311 163 1 1 . 1 1 47 47 LYS H H 47 8.690 8.690 8.700 -0.010 19311 164 1 1 . 1 1 48 48 GLN N N 48 119.487 119.487 117.457 2.030 19311 165 1 1 . 1 1 48 48 GLN C C 48 178.691 178.691 178.346 0.345 19311 166 1 1 . 1 1 48 48 GLN CA C 48 58.356 58.356 59.020 -0.665 19311 167 1 1 . 1 1 48 48 GLN CB C 48 27.365 27.365 28.439 -1.074 19311 168 1 1 . 1 1 48 48 GLN H H 48 8.082 8.082 8.423 -0.341 19311 169 1 1 . 1 1 49 49 ASP N N 49 122.541 122.541 121.030 1.511 19311 170 1 1 . 1 1 49 49 ASP C C 49 175.759 175.759 178.546 -2.787 19311 171 1 1 . 1 1 49 49 ASP CA C 49 57.516 57.516 57.185 0.331 19311 172 1 1 . 1 1 49 49 ASP CB C 49 41.147 41.147 40.599 0.548 19311 173 1 1 . 1 1 49 49 ASP H H 49 7.743 7.743 7.959 -0.216 19311 174 1 1 . 1 1 50 50 LEU N N 50 113.803 113.803 118.622 -4.819 19311 175 1 1 . 1 1 50 50 LEU C C 50 178.243 178.243 178.976 -0.733 19311 176 1 1 . 1 1 50 50 LEU CA C 50 56.063 56.063 56.872 -0.809 19311 177 1 1 . 1 1 50 50 LEU CB C 50 41.162 41.162 41.968 -0.806 19311 178 1 1 . 1 1 50 50 LEU H H 50 7.307 7.307 8.008 -0.701 19311 179 1 1 . 1 1 51 51 ALA N N 51 120.417 120.417 121.513 -1.096 19311 180 1 1 . 1 1 51 51 ALA C C 51 178.660 178.660 178.196 0.464 19311 181 1 1 . 1 1 51 51 ALA CA C 51 53.718 53.718 53.949 -0.231 19311 182 1 1 . 1 1 51 51 ALA CB C 51 18.193 18.193 19.649 -1.456 19311 183 1 1 . 1 1 51 51 ALA H H 51 7.677 7.677 7.718 -0.041 19311 184 1 1 . 1 1 52 52 LEU N N 52 116.642 116.642 117.845 -1.203 19311 185 1 1 . 1 1 52 52 LEU CA C 52 51.307 51.307 52.665 -1.358 19311 186 1 1 . 1 1 52 52 LEU CB C 52 42.099 42.099 42.317 -0.218 19311 187 1 1 . 1 1 52 52 LEU H H 52 6.992 6.992 7.876 -0.884 19311 188 1 1 . 1 1 53 53 PRO C C 53 177.594 177.594 178.050 -0.456 19311 189 1 1 . 1 1 53 53 PRO CA C 53 65.466 65.466 65.246 0.220 19311 190 1 1 . 1 1 53 53 PRO CB C 53 31.761 31.761 32.213 -0.452 19311 191 1 1 . 1 1 54 54 HIS N N 54 112.752 112.752 111.515 1.237 19311 192 1 1 . 1 1 54 54 HIS C C 54 175.187 175.187 174.819 0.368 19311 193 1 1 . 1 1 54 54 HIS CA C 54 57.695 57.695 57.337 0.358 19311 194 1 1 . 1 1 54 54 HIS CB C 54 28.716 28.716 28.376 0.340 19311 195 1 1 . 1 1 54 54 HIS H H 54 8.274 8.274 8.896 -0.622 19311 196 1 1 . 1 1 55 55 MET N N 55 116.326 116.326 117.716 -1.390 19311 197 1 1 . 1 1 55 55 MET C C 55 175.522 175.522 176.028 -0.506 19311 198 1 1 . 1 1 55 55 MET CA C 55 53.185 53.185 54.459 -1.274 19311 199 1 1 . 1 1 55 55 MET CB C 55 32.240 32.240 32.716 -0.476 19311 200 1 1 . 1 1 55 55 MET H H 55 7.254 7.254 7.367 -0.113 19311 201 1 1 . 1 1 56 56 SER N N 56 116.685 116.685 116.461 0.224 19311 202 1 1 . 1 1 56 56 SER CA C 56 54.269 54.269 54.310 -0.041 19311 203 1 1 . 1 1 56 56 SER CB C 56 63.227 63.227 64.399 -1.172 19311 204 1 1 . 1 1 56 56 SER H H 56 7.038 7.038 7.499 -0.461 19311 205 1 1 . 1 1 57 57 PRO C C 57 178.714 178.714 178.271 0.443 19311 206 1 1 . 1 1 57 57 PRO CA C 57 64.333 64.333 65.038 -0.705 19311 207 1 1 . 1 1 57 57 PRO CB C 57 31.044 31.044 31.827 -0.783 19311 208 1 1 . 1 1 58 58 THR N N 58 115.440 115.440 112.772 2.668 19311 209 1 1 . 1 1 58 58 THR C C 58 175.811 175.811 174.705 1.106 19311 210 1 1 . 1 1 58 58 THR CA C 58 65.411 65.411 66.597 -1.186 19311 211 1 1 . 1 1 58 58 THR CB C 58 68.208 68.208 68.419 -0.212 19311 212 1 1 . 1 1 58 58 THR H H 58 7.560 7.560 7.730 -0.170 19311 213 1 1 . 1 1 59 59 ILE N N 59 122.823 122.823 118.875 3.948 19311 214 1 1 . 1 1 59 59 ILE C C 59 176.672 176.672 178.407 -1.735 19311 215 1 1 . 1 1 59 59 ILE CA C 59 64.230 64.230 63.611 0.619 19311 216 1 1 . 1 1 59 59 ILE CB C 59 37.283 37.283 38.483 -1.200 19311 217 1 1 . 1 1 59 59 ILE H H 59 7.182 7.182 7.593 -0.411 19311 218 1 1 . 1 1 60 60 LEU N N 60 113.853 113.853 121.193 -7.340 19311 219 1 1 . 1 1 60 60 LEU C C 60 179.288 179.288 177.480 1.808 19311 220 1 1 . 1 1 60 60 LEU CA C 60 56.589 56.589 57.820 -1.231 19311 221 1 1 . 1 1 60 60 LEU CB C 60 40.734 40.734 42.052 -1.318 19311 222 1 1 . 1 1 60 60 LEU H H 60 7.894 7.894 8.420 -0.526 19311 223 1 1 . 1 1 61 61 THR N N 61 107.267 107.267 106.988 0.279 19311 224 1 1 . 1 1 61 61 THR C C 61 173.987 173.987 174.435 -0.448 19311 225 1 1 . 1 1 61 61 THR CA C 61 61.516 61.516 61.570 -0.054 19311 226 1 1 . 1 1 61 61 THR CB C 61 69.919 69.919 69.174 0.745 19311 227 1 1 . 1 1 61 61 THR H H 61 7.427 7.427 7.604 -0.177 19311 228 1 1 . 1 1 62 62 ASN N N 62 121.377 121.377 121.855 -0.478 19311 229 1 1 . 1 1 62 62 ASN CA C 62 49.977 49.977 50.829 -0.852 19311 230 1 1 . 1 1 62 62 ASN CB C 62 39.885 39.885 39.657 0.227 19311 231 1 1 . 1 1 62 62 ASN H H 62 7.368 7.368 7.647 -0.279 19311 232 1 1 . 1 1 63 63 PRO C C 63 176.868 176.868 177.218 -0.350 19311 233 1 1 . 1 1 63 63 PRO CA C 63 64.130 64.130 64.773 -0.643 19311 234 1 1 . 1 1 63 63 PRO CB C 63 32.275 32.275 31.811 0.464 19311 235 1 1 . 1 1 64 64 CYS N N 64 113.208 113.208 111.669 1.539 19311 236 1 1 . 1 1 64 64 CYS C C 64 170.205 170.205 174.521 -4.316 19311 237 1 1 . 1 1 64 64 CYS CA C 64 56.943 56.943 59.920 -2.978 19311 238 1 1 . 1 1 64 64 CYS CB C 64 26.242 26.242 26.949 -0.707 19311 239 1 1 . 1 1 64 64 CYS H H 64 7.072 7.072 7.567 -0.495 19311 240 1 1 . 1 1 65 65 HIS N N 65 108.987 108.987 115.893 -6.906 19311 241 1 1 . 1 1 65 65 HIS C C 65 174.303 174.303 174.473 -0.170 19311 242 1 1 . 1 1 65 65 HIS CA C 65 56.141 56.141 56.997 -0.856 19311 243 1 1 . 1 1 65 65 HIS CB C 65 28.565 28.565 30.060 -1.495 19311 244 1 1 . 1 1 65 65 HIS H H 65 6.651 6.651 7.176 -0.525 19311 245 1 1 . 1 1 66 66 PHE N N 66 116.823 116.823 114.573 2.250 19311 246 1 1 . 1 1 66 66 PHE C C 66 174.308 174.308 172.871 1.437 19311 247 1 1 . 1 1 66 66 PHE CA C 66 56.990 56.990 56.324 0.666 19311 248 1 1 . 1 1 66 66 PHE CB C 66 41.535 41.535 41.577 -0.042 19311 249 1 1 . 1 1 66 66 PHE H H 66 7.548 7.548 7.111 0.437 19311 250 1 1 . 1 1 67 67 ALA N N 67 119.242 119.242 119.740 -0.498 19311 251 1 1 . 1 1 67 67 ALA C C 67 175.495 175.495 174.928 0.567 19311 252 1 1 . 1 1 67 67 ALA CA C 67 50.842 50.842 52.047 -1.205 19311 253 1 1 . 1 1 67 67 ALA CB C 67 24.144 24.144 22.331 1.813 19311 254 1 1 . 1 1 67 67 ALA H H 67 8.646 8.646 9.119 -0.473 19311 255 1 1 . 1 1 68 68 LYS N N 68 118.338 118.338 118.787 -0.449 19311 256 1 1 . 1 1 68 68 LYS C C 68 176.011 176.011 175.816 0.195 19311 257 1 1 . 1 1 68 68 LYS CA C 68 54.557 54.557 54.791 -0.234 19311 258 1 1 . 1 1 68 68 LYS CB C 68 34.575 34.575 35.758 -1.183 19311 259 1 1 . 1 1 68 68 LYS H H 68 8.373 8.373 8.437 -0.064 19311 260 1 1 . 1 1 69 69 ILE N N 69 126.321 126.321 123.871 2.450 19311 261 1 1 . 1 1 69 69 ILE C C 69 176.711 176.711 176.463 0.248 19311 262 1 1 . 1 1 69 69 ILE CA C 69 61.581 61.581 61.347 0.234 19311 263 1 1 . 1 1 69 69 ILE CB C 69 37.161 37.161 38.814 -1.653 19311 264 1 1 . 1 1 69 69 ILE H H 69 9.660 9.660 8.419 1.241 19311 265 1 1 . 1 1 70 70 THR N N 70 118.154 118.154 118.048 0.106 19311 266 1 1 . 1 1 70 70 THR C C 70 175.076 175.076 174.138 0.938 19311 267 1 1 . 1 1 70 70 THR CA C 70 60.883 60.883 61.705 -0.822 19311 268 1 1 . 1 1 70 70 THR CB C 70 68.643 68.643 70.950 -2.307 19311 269 1 1 . 1 1 70 70 THR H H 70 8.785 8.785 8.888 -0.103 19311 270 1 1 . 1 1 71 71 LYS N N 71 122.877 122.877 119.923 2.954 19311 271 1 1 . 1 1 71 71 LYS C C 71 173.355 173.355 173.335 0.020 19311 272 1 1 . 1 1 71 71 LYS CA C 71 56.459 56.459 56.662 -0.203 19311 273 1 1 . 1 1 71 71 LYS CB C 71 34.142 34.142 34.337 -0.195 19311 274 1 1 . 1 1 71 71 LYS H H 71 7.088 7.088 7.166 -0.078 19311 275 1 1 . 1 1 72 72 PHE N N 72 122.143 122.143 122.259 -0.116 19311 276 1 1 . 1 1 72 72 PHE C C 72 175.071 175.071 175.754 -0.683 19311 277 1 1 . 1 1 72 72 PHE CA C 72 57.980 57.980 57.690 0.290 19311 278 1 1 . 1 1 72 72 PHE CB C 72 39.359 39.359 40.390 -1.031 19311 279 1 1 . 1 1 72 72 PHE H H 72 8.530 8.530 8.617 -0.087 19311 280 1 1 . 1 1 73 73 TYR N N 73 123.208 123.208 122.896 0.312 19311 281 1 1 . 1 1 73 73 TYR C C 73 176.295 176.295 175.397 0.898 19311 282 1 1 . 1 1 73 73 TYR CA C 73 60.464 60.464 59.373 1.091 19311 283 1 1 . 1 1 73 73 TYR CB C 73 39.634 39.634 40.040 -0.406 19311 284 1 1 . 1 1 73 73 TYR H H 73 9.437 9.437 9.219 0.218 19311 285 1 1 . 1 1 74 74 ASN N N 74 113.786 113.786 115.030 -1.244 19311 286 1 1 . 1 1 74 74 ASN C C 74 172.652 172.652 172.803 -0.151 19311 287 1 1 . 1 1 74 74 ASN CA C 74 52.675 52.675 53.281 -0.606 19311 288 1 1 . 1 1 74 74 ASN CB C 74 39.801 39.801 42.295 -2.494 19311 289 1 1 . 1 1 74 74 ASN H H 74 7.993 7.993 7.927 0.066 19311 290 1 1 . 1 1 75 75 VAL N N 75 124.913 124.913 122.273 2.640 19311 291 1 1 . 1 1 75 75 VAL C C 75 175.179 175.179 175.284 -0.105 19311 292 1 1 . 1 1 75 75 VAL CA C 75 61.422 61.422 61.364 0.058 19311 293 1 1 . 1 1 75 75 VAL CB C 75 33.185 33.185 34.251 -1.066 19311 294 1 1 . 1 1 75 75 VAL H H 75 7.721 7.721 8.543 -0.822 19311 295 1 1 . 1 1 76 76 CYS N N 76 125.698 125.698 125.777 -0.079 19311 296 1 1 . 1 1 76 76 CYS CA C 76 57.694 57.694 57.734 -0.040 19311 297 1 1 . 1 1 76 76 CYS CB C 76 27.993 27.993 31.533 -3.540 19311 298 1 1 . 1 1 76 76 CYS H H 76 8.677 8.677 9.062 -0.385 19311 299 1 1 . 1 1 78 78 TYR N N 78 109.730 109.730 110.720 -0.990 19311 300 1 1 . 1 1 78 78 TYR C C 78 173.592 173.592 174.048 -0.456 19311 301 1 1 . 1 1 78 78 TYR CA C 78 60.078 60.078 58.824 1.254 19311 302 1 1 . 1 1 78 78 TYR CB C 78 35.627 35.627 35.995 -0.368 19311 303 1 1 . 1 1 78 78 TYR H H 78 8.215 8.215 8.117 0.098 19311 304 1 1 . 1 1 79 79 LYS N N 79 119.181 119.181 115.885 3.296 19311 305 1 1 . 1 1 79 79 LYS C C 79 175.198 175.198 174.490 0.708 19311 306 1 1 . 1 1 79 79 LYS CA C 79 55.243 55.243 54.418 0.825 19311 307 1 1 . 1 1 79 79 LYS CB C 79 33.522 33.522 37.243 -3.721 19311 308 1 1 . 1 1 79 79 LYS H H 79 7.695 7.695 7.758 -0.063 19311 309 1 1 . 1 1 80 80 VAL N N 80 118.700 118.700 119.572 -0.872 19311 310 1 1 . 1 1 80 80 VAL C C 80 172.953 172.953 174.479 -1.526 19311 311 1 1 . 1 1 80 80 VAL CA C 80 61.093 61.093 60.825 0.268 19311 312 1 1 . 1 1 80 80 VAL CB C 80 34.048 34.048 35.446 -1.398 19311 313 1 1 . 1 1 80 80 VAL H H 80 7.478 7.478 8.327 -0.849 19311 314 1 1 . 1 1 81 81 TYR N N 81 128.065 128.065 124.812 3.253 19311 315 1 1 . 1 1 81 81 TYR C C 81 175.948 175.948 174.673 1.275 19311 316 1 1 . 1 1 81 81 TYR CA C 81 57.836 57.836 56.417 1.419 19311 317 1 1 . 1 1 81 81 TYR CB C 81 37.594 37.594 40.116 -2.522 19311 318 1 1 . 1 1 81 81 TYR H H 81 8.851 8.851 9.243 -0.392 19311 319 1 1 . 1 1 82 82 ALA N N 82 130.227 130.227 125.772 4.455 19311 320 1 1 . 1 1 82 82 ALA C C 82 174.291 174.291 175.123 -0.832 19311 321 1 1 . 1 1 82 82 ALA CA C 82 51.702 51.702 50.843 0.860 19311 322 1 1 . 1 1 82 82 ALA CB C 82 24.004 24.004 22.713 1.291 19311 323 1 1 . 1 1 82 82 ALA H H 82 9.673 9.673 9.478 0.195 19311 324 1 1 . 1 1 83 83 SER N N 83 112.455 112.455 113.863 -1.408 19311 325 1 1 . 1 1 83 83 SER C C 83 175.055 175.055 173.285 1.770 19311 326 1 1 . 1 1 83 83 SER CA C 83 56.656 56.656 56.371 0.285 19311 327 1 1 . 1 1 83 83 SER CB C 83 65.405 65.405 65.438 -0.033 19311 328 1 1 . 1 1 83 83 SER H H 83 8.975 8.975 8.437 0.538 19311 329 1 1 . 1 1 84 84 ILE N N 84 115.288 115.288 118.598 -3.310 19311 330 1 1 . 1 1 84 84 ILE C C 84 173.569 173.569 173.607 -0.038 19311 331 1 1 . 1 1 84 84 ILE CA C 84 57.822 57.822 58.823 -1.001 19311 332 1 1 . 1 1 84 84 ILE CB C 84 41.310 41.310 42.518 -1.208 19311 333 1 1 . 1 1 84 84 ILE H H 84 8.657 8.657 9.102 -0.445 19311 334 1 1 . 1 1 85 85 ARG N N 85 116.138 116.138 117.414 -1.276 19311 335 1 1 . 1 1 85 85 ARG C C 85 174.594 174.594 174.394 0.200 19311 336 1 1 . 1 1 85 85 ARG CA C 85 52.721 52.721 54.621 -1.900 19311 337 1 1 . 1 1 85 85 ARG CB C 85 33.188 33.188 34.271 -1.083 19311 338 1 1 . 1 1 85 85 ARG H H 85 9.306 9.306 8.920 0.386 19311 339 1 1 . 1 1 86 86 ASP N N 86 121.622 121.622 119.868 1.754 19311 340 1 1 . 1 1 86 86 ASP C C 86 175.804 175.804 176.102 -0.298 19311 341 1 1 . 1 1 86 86 ASP CA C 86 51.666 51.666 52.217 -0.551 19311 342 1 1 . 1 1 86 86 ASP CB C 86 38.969 38.969 41.876 -2.907 19311 343 1 1 . 1 1 86 86 ASP H H 86 7.506 7.506 8.018 -0.512 19311 344 1 1 . 1 1 87 87 SER N N 87 109.487 109.487 115.711 -6.224 19311 345 1 1 . 1 1 87 87 SER C C 87 174.343 174.343 174.994 -0.651 19311 346 1 1 . 1 1 87 87 SER CA C 87 59.775 59.775 60.533 -0.758 19311 347 1 1 . 1 1 87 87 SER CB C 87 62.824 62.824 63.519 -0.695 19311 348 1 1 . 1 1 87 87 SER H H 87 6.452 6.452 8.511 -2.059 19311 349 1 1 . 1 1 88 88 SER N N 88 117.714 117.714 117.210 0.504 19311 350 1 1 . 1 1 88 88 SER C C 88 172.322 172.322 173.862 -1.540 19311 351 1 1 . 1 1 88 88 SER CA C 88 60.625 60.625 58.339 2.286 19311 352 1 1 . 1 1 88 88 SER CB C 88 66.392 66.392 63.648 2.744 19311 353 1 1 . 1 1 88 88 SER H H 88 8.852 8.852 8.304 0.548 19311 354 1 1 . 1 1 89 89 HIS N N 89 121.987 121.987 117.760 4.227 19311 355 1 1 . 1 1 89 89 HIS C C 89 173.253 173.253 174.577 -1.324 19311 356 1 1 . 1 1 89 89 HIS CA C 89 55.530 55.530 54.680 0.850 19311 357 1 1 . 1 1 89 89 HIS CB C 89 36.622 36.622 31.009 5.614 19311 358 1 1 . 1 1 89 89 HIS H H 89 9.568 9.568 7.878 1.690 19311 359 1 1 . 1 1 90 90 GLN N N 90 112.816 112.816 117.498 -4.682 19311 360 1 1 . 1 1 90 90 GLN C C 90 175.640 175.640 174.250 1.390 19311 361 1 1 . 1 1 90 90 GLN CA C 90 53.060 53.060 54.324 -1.264 19311 362 1 1 . 1 1 90 90 GLN CB C 90 32.977 32.977 32.439 0.538 19311 363 1 1 . 1 1 90 90 GLN H H 90 7.942 7.942 8.679 -0.737 19311 364 1 1 . 1 1 91 91 ILE N N 91 119.354 119.354 118.200 1.154 19311 365 1 1 . 1 1 91 91 ILE C C 91 172.309 172.309 173.369 -1.060 19311 366 1 1 . 1 1 91 91 ILE CA C 91 61.019 61.019 60.470 0.549 19311 367 1 1 . 1 1 91 91 ILE CB C 91 41.077 41.077 41.855 -0.777 19311 368 1 1 . 1 1 91 91 ILE H H 91 8.937 8.937 8.762 0.175 19311 369 1 1 . 1 1 92 92 LEU N N 92 125.414 125.414 126.425 -1.011 19311 370 1 1 . 1 1 92 92 LEU C C 92 175.848 175.848 175.307 0.541 19311 371 1 1 . 1 1 92 92 LEU CA C 92 55.084 55.084 55.058 0.026 19311 372 1 1 . 1 1 92 92 LEU CB C 92 40.637 40.637 41.829 -1.192 19311 373 1 1 . 1 1 92 92 LEU H H 92 7.192 7.192 8.543 -1.351 19311 374 1 1 . 1 1 93 93 VAL N N 93 116.666 116.666 120.821 -4.155 19311 375 1 1 . 1 1 93 93 VAL C C 93 173.013 173.013 173.412 -0.399 19311 376 1 1 . 1 1 93 93 VAL CA C 93 58.637 58.637 59.435 -0.798 19311 377 1 1 . 1 1 93 93 VAL CB C 93 35.844 35.844 35.315 0.529 19311 378 1 1 . 1 1 93 93 VAL H H 93 9.225 9.225 8.988 0.237 19311 379 1 1 . 1 1 94 94 GLU N N 94 124.248 124.248 128.193 -3.945 19311 380 1 1 . 1 1 94 94 GLU CA C 94 53.418 53.418 53.571 -0.153 19311 381 1 1 . 1 1 94 94 GLU CB C 94 32.133 32.133 32.940 -0.807 19311 382 1 1 . 1 1 94 94 GLU H H 94 8.549 8.549 8.917 -0.368 19311 383 1 1 . 1 1 95 95 PHE C C 95 175.472 175.472 176.300 -0.828 19311 384 1 1 . 1 1 95 95 PHE CA C 95 56.710 56.710 56.716 -0.006 19311 385 1 1 . 1 1 95 95 PHE CB C 95 38.774 38.774 39.361 -0.587 19311 386 1 1 . 1 1 96 96 SER N N 96 119.651 119.651 120.505 -0.854 19311 387 1 1 . 1 1 96 96 SER C C 96 173.024 173.024 175.643 -2.619 19311 388 1 1 . 1 1 96 96 SER CA C 96 57.233 57.233 57.501 -0.268 19311 389 1 1 . 1 1 96 96 SER CB C 96 65.249 65.249 65.160 0.089 19311 390 1 1 . 1 1 96 96 SER H H 96 8.203 8.203 8.587 -0.384 19311 391 1 1 . 1 1 97 97 GLN N N 97 120.894 120.894 123.150 -2.256 19311 392 1 1 . 1 1 97 97 GLN C C 97 179.424 179.424 178.064 1.360 19311 393 1 1 . 1 1 97 97 GLN CA C 97 58.799 58.799 59.990 -1.191 19311 394 1 1 . 1 1 97 97 GLN CB C 97 26.863 26.863 28.444 -1.581 19311 395 1 1 . 1 1 97 97 GLN H H 97 8.949 8.949 8.998 -0.049 19311 396 1 1 . 1 1 98 98 GLU N N 98 121.467 121.467 119.473 1.994 19311 397 1 1 . 1 1 98 98 GLU C C 98 177.401 177.401 178.065 -0.664 19311 398 1 1 . 1 1 98 98 GLU CA C 98 59.056 59.056 59.611 -0.555 19311 399 1 1 . 1 1 98 98 GLU CB C 98 28.654 28.654 29.406 -0.752 19311 400 1 1 . 1 1 98 98 GLU H H 98 8.759 8.759 8.475 0.284 19311 401 1 1 . 1 1 99 99 CYS N N 99 122.363 122.363 119.544 2.819 19311 402 1 1 . 1 1 99 99 CYS C C 99 178.667 178.667 177.449 1.218 19311 403 1 1 . 1 1 99 99 CYS CA C 99 61.683 61.683 63.024 -1.341 19311 404 1 1 . 1 1 99 99 CYS CB C 99 27.002 27.002 26.644 0.358 19311 405 1 1 . 1 1 99 99 CYS H H 99 8.194 8.194 7.877 0.317 19311 406 1 1 . 1 1 100 100 VAL N N 100 120.067 120.067 120.081 -0.014 19311 407 1 1 . 1 1 100 100 VAL C C 100 178.191 178.191 178.003 0.188 19311 408 1 1 . 1 1 100 100 VAL CA C 100 66.503 66.503 67.249 -0.746 19311 409 1 1 . 1 1 100 100 VAL CB C 100 31.299 31.299 31.744 -0.445 19311 410 1 1 . 1 1 100 100 VAL H H 100 8.584 8.584 8.557 0.027 19311 411 1 1 . 1 1 101 101 SER N N 101 117.155 117.155 116.450 0.705 19311 412 1 1 . 1 1 101 101 SER C C 101 177.930 177.930 176.859 1.071 19311 413 1 1 . 1 1 101 101 SER CA C 101 61.182 61.182 62.001 -0.819 19311 414 1 1 . 1 1 101 101 SER CB C 101 62.112 62.112 63.073 -0.961 19311 415 1 1 . 1 1 101 101 SER H H 101 8.685 8.685 8.496 0.189 19311 416 1 1 . 1 1 102 102 ASN N N 102 120.931 120.931 120.300 0.631 19311 417 1 1 . 1 1 102 102 ASN C C 102 178.047 178.047 177.464 0.583 19311 418 1 1 . 1 1 102 102 ASN CA C 102 56.108 56.108 55.847 0.261 19311 419 1 1 . 1 1 102 102 ASN CB C 102 37.456 37.456 38.105 -0.649 19311 420 1 1 . 1 1 102 102 ASN H H 102 8.638 8.638 8.207 0.431 19311 421 1 1 . 1 1 103 103 PHE N N 103 124.907 124.907 122.242 2.665 19311 422 1 1 . 1 1 103 103 PHE C C 103 177.886 177.886 177.720 0.166 19311 423 1 1 . 1 1 103 103 PHE CA C 103 61.734 61.734 61.709 0.025 19311 424 1 1 . 1 1 103 103 PHE CB C 103 38.976 38.976 39.307 -0.331 19311 425 1 1 . 1 1 103 103 PHE H H 103 8.495 8.495 8.891 -0.396 19311 426 1 1 . 1 1 104 104 GLU N N 104 120.930 120.930 120.217 0.713 19311 427 1 1 . 1 1 104 104 GLU C C 104 180.036 180.036 179.291 0.745 19311 428 1 1 . 1 1 104 104 GLU CA C 104 59.070 59.070 59.085 -0.015 19311 429 1 1 . 1 1 104 104 GLU CB C 104 28.323 28.323 29.817 -1.494 19311 430 1 1 . 1 1 104 104 GLU H H 104 8.614 8.614 8.598 0.016 19311 431 1 1 . 1 1 105 105 ARG N N 105 119.201 119.201 118.137 1.064 19311 432 1 1 . 1 1 105 105 ARG C C 105 178.097 178.097 178.550 -0.453 19311 433 1 1 . 1 1 105 105 ARG CA C 105 58.179 58.179 58.940 -0.761 19311 434 1 1 . 1 1 105 105 ARG CB C 105 29.305 29.305 30.226 -0.921 19311 435 1 1 . 1 1 105 105 ARG H H 105 7.976 7.976 8.104 -0.128 19311 436 1 1 . 1 1 106 106 THR N N 106 114.725 114.725 113.274 1.451 19311 437 1 1 . 1 1 106 106 THR C C 106 175.323 175.323 175.809 -0.486 19311 438 1 1 . 1 1 106 106 THR CA C 106 65.164 65.164 65.603 -0.439 19311 439 1 1 . 1 1 106 106 THR CB C 106 68.964 68.964 68.812 0.152 19311 440 1 1 . 1 1 106 106 THR H H 106 7.744 7.744 7.853 -0.109 19311 441 1 1 . 1 1 107 107 HIS N N 107 116.911 116.911 115.801 1.110 19311 442 1 1 . 1 1 107 107 HIS C C 107 174.769 174.769 174.441 0.328 19311 443 1 1 . 1 1 107 107 HIS CA C 107 56.636 56.636 56.516 0.120 19311 444 1 1 . 1 1 107 107 HIS CB C 107 29.833 29.833 30.609 -0.776 19311 445 1 1 . 1 1 107 107 HIS H H 107 8.033 8.033 7.658 0.375 19311 446 1 1 . 1 1 108 108 ASN N N 108 118.204 118.204 116.654 1.550 19311 447 1 1 . 1 1 108 108 ASN C C 108 173.328 173.328 174.363 -1.035 19311 448 1 1 . 1 1 108 108 ASN CA C 108 53.859 53.859 54.575 -0.716 19311 449 1 1 . 1 1 108 108 ASN CB C 108 36.623 36.623 36.119 0.504 19311 450 1 1 . 1 1 108 108 ASN H H 108 8.135 8.135 8.323 -0.188 19311 451 1 1 . 1 1 109 109 CYS N N 109 111.643 111.643 112.655 -1.012 19311 452 1 1 . 1 1 109 109 CYS C C 109 171.934 171.934 172.960 -1.026 19311 453 1 1 . 1 1 109 109 CYS CA C 109 55.233 55.233 56.501 -1.268 19311 454 1 1 . 1 1 109 109 CYS CB C 109 29.518 29.518 30.619 -1.101 19311 455 1 1 . 1 1 109 109 CYS H H 109 7.493 7.493 7.653 -0.160 19311 456 1 1 . 1 1 110 110 ARG N N 110 117.680 117.680 120.596 -2.916 19311 457 1 1 . 1 1 110 110 ARG C C 110 179.018 179.018 177.846 1.172 19311 458 1 1 . 1 1 110 110 ARG CA C 110 54.914 54.914 55.592 -0.678 19311 459 1 1 . 1 1 110 110 ARG CB C 110 30.252 30.252 30.915 -0.663 19311 460 1 1 . 1 1 110 110 ARG H H 110 8.271 8.271 8.594 -0.323 19311 461 1 1 . 1 1 111 111 ILE N N 111 124.684 124.684 122.192 2.492 19311 462 1 1 . 1 1 111 111 ILE CA C 111 63.115 63.115 62.350 0.765 19311 463 1 1 . 1 1 111 111 ILE CB C 111 37.530 37.530 37.579 -0.049 19311 464 1 1 . 1 1 111 111 ILE H H 111 9.551 9.551 8.536 1.015 19311 465 1 1 . 1 1 112 112 THR N N 112 106.975 106.975 107.196 -0.221 19311 466 1 1 . 1 1 112 112 THR C C 112 175.160 175.160 174.141 1.019 19311 467 1 1 . 1 1 112 112 THR CA C 112 60.029 60.029 61.928 -1.899 19311 468 1 1 . 1 1 112 112 THR CB C 112 67.949 67.949 68.430 -0.481 19311 469 1 1 . 1 1 112 112 THR H H 112 6.484 6.484 7.335 -0.851 19311 470 1 1 . 1 1 113 113 SER N N 113 118.281 118.281 116.631 1.650 19311 471 1 1 . 1 1 113 113 SER C C 113 173.813 173.813 174.368 -0.555 19311 472 1 1 . 1 1 113 113 SER CA C 113 58.470 58.470 57.658 0.812 19311 473 1 1 . 1 1 113 113 SER CB C 113 62.730 62.730 63.198 -0.468 19311 474 1 1 . 1 1 113 113 SER H H 113 7.446 7.446 7.344 0.102 19311 475 1 1 . 1 1 114 114 GLU N N 114 121.273 121.273 125.530 -4.257 19311 476 1 1 . 1 1 114 114 GLU CA C 114 56.911 56.911 57.592 -0.681 19311 477 1 1 . 1 1 114 114 GLU CB C 114 27.463 27.463 27.678 -0.215 19311 478 1 1 . 1 1 114 114 GLU H H 114 8.350 8.350 9.231 -0.881 19311 479 1 1 . 1 1 115 115 THR N N 115 109.184 109.184 105.335 3.849 19311 480 1 1 . 1 1 115 115 THR C C 115 177.031 177.031 175.458 1.573 19311 481 1 1 . 1 1 115 115 THR CA C 115 61.908 61.908 62.525 -0.617 19311 482 1 1 . 1 1 115 115 THR CB C 115 69.072 69.072 69.881 -0.809 19311 483 1 1 . 1 1 115 115 THR H H 115 7.689 7.689 7.963 -0.274 19311 484 1 1 . 1 1 116 116 THR N N 116 115.339 115.339 113.721 1.618 19311 485 1 1 . 1 1 116 116 THR C C 116 175.023 175.023 174.139 0.884 19311 486 1 1 . 1 1 116 116 THR CA C 116 63.834 63.834 63.937 -0.103 19311 487 1 1 . 1 1 116 116 THR CB C 116 68.130 68.130 68.886 -0.756 19311 488 1 1 . 1 1 116 116 THR H H 116 7.979 7.979 8.442 -0.463 19311 489 1 1 . 1 1 117 117 ASN N N 117 118.558 118.558 117.816 0.742 19311 490 1 1 . 1 1 117 117 ASN C C 117 174.413 174.413 174.105 0.308 19311 491 1 1 . 1 1 117 117 ASN CA C 117 53.549 53.549 52.444 1.105 19311 492 1 1 . 1 1 117 117 ASN CB C 117 37.548 37.548 39.637 -2.089 19311 493 1 1 . 1 1 117 117 ASN H H 117 8.295 8.295 8.077 0.218 19311 494 1 1 . 1 1 118 118 CYS N N 118 116.611 116.611 117.713 -1.102 19311 495 1 1 . 1 1 118 118 CYS C C 118 174.430 174.430 173.186 1.244 19311 496 1 1 . 1 1 118 118 CYS CA C 118 58.206 58.206 57.383 0.824 19311 497 1 1 . 1 1 118 118 CYS CB C 118 28.866 28.866 32.158 -3.292 19311 498 1 1 . 1 1 118 118 CYS H H 118 7.548 7.548 7.757 -0.209 19311 499 1 1 . 1 1 119 119 LEU N N 119 125.613 125.613 119.755 5.858 19311 500 1 1 . 1 1 119 119 LEU C C 119 174.612 174.612 175.949 -1.337 19311 501 1 1 . 1 1 119 119 LEU CA C 119 54.869 54.869 54.145 0.724 19311 502 1 1 . 1 1 119 119 LEU CB C 119 42.394 42.394 43.500 -1.106 19311 503 1 1 . 1 1 119 119 LEU H H 119 8.840 8.840 8.890 -0.050 19311 504 1 1 . 1 1 120 120 MET N N 120 128.079 128.079 122.656 5.423 19311 505 1 1 . 1 1 120 120 MET C C 120 174.384 174.384 174.240 0.144 19311 506 1 1 . 1 1 120 120 MET CA C 120 53.292 53.292 54.348 -1.056 19311 507 1 1 . 1 1 120 120 MET H H 120 9.274 9.274 8.889 0.385 19311 508 1 1 . 1 1 121 121 ILE N N 121 120.093 120.093 124.753 -4.660 19311 509 1 1 . 1 1 121 121 ILE C C 121 176.479 176.479 175.127 1.352 19311 510 1 1 . 1 1 121 121 ILE CA C 121 55.536 55.536 58.526 -2.990 19311 511 1 1 . 1 1 121 121 ILE CB C 121 36.335 36.335 38.355 -2.020 19311 512 1 1 . 1 1 121 121 ILE H H 121 8.527 8.527 9.168 -0.641 19311 513 1 1 . 1 1 122 122 ILE N N 122 119.127 119.127 120.393 -1.266 19311 514 1 1 . 1 1 122 122 ILE C C 122 174.904 174.904 174.839 0.065 19311 515 1 1 . 1 1 122 122 ILE CA C 122 57.790 57.790 58.676 -0.886 19311 516 1 1 . 1 1 122 122 ILE CB C 122 41.605 41.605 42.215 -0.610 19311 517 1 1 . 1 1 122 122 ILE H H 122 8.913 8.913 8.623 0.290 19311 518 1 1 . 1 1 123 123 GLY N N 123 106.647 106.647 109.128 -2.481 19311 519 1 1 . 1 1 123 123 GLY C C 123 170.571 170.571 172.365 -1.794 19311 520 1 1 . 1 1 123 123 GLY CA C 123 43.698 43.698 44.905 -1.207 19311 521 1 1 . 1 1 123 123 GLY H H 123 8.373 8.373 8.661 -0.288 19311 522 1 1 . 1 1 124 124 ASP N N 124 119.021 119.021 119.969 -0.948 19311 523 1 1 . 1 1 124 124 ASP C C 124 174.481 174.481 174.075 0.406 19311 524 1 1 . 1 1 124 124 ASP CA C 124 53.993 53.993 55.109 -1.116 19311 525 1 1 . 1 1 124 124 ASP CB C 124 39.163 39.163 39.976 -0.813 19311 526 1 1 . 1 1 124 124 ASP H H 124 7.712 7.712 8.233 -0.521 19311 527 1 1 . 1 1 125 125 ALA N N 125 122.997 122.997 123.351 -0.354 19311 528 1 1 . 1 1 125 125 ALA C C 125 175.798 175.798 175.293 0.505 19311 529 1 1 . 1 1 125 125 ALA CA C 125 49.258 49.258 50.721 -1.462 19311 530 1 1 . 1 1 125 125 ALA CB C 125 23.466 23.466 23.515 -0.049 19311 531 1 1 . 1 1 125 125 ALA H H 125 8.502 8.502 8.019 0.483 19311 532 1 1 . 1 1 126 126 ASP N N 126 121.643 121.643 119.834 1.809 19311 533 1 1 . 1 1 126 126 ASP C C 126 174.129 174.129 173.940 0.189 19311 534 1 1 . 1 1 126 126 ASP CA C 126 51.984 51.984 52.371 -0.387 19311 535 1 1 . 1 1 126 126 ASP CB C 126 43.380 43.380 44.606 -1.226 19311 536 1 1 . 1 1 126 126 ASP H H 126 8.656 8.656 8.938 -0.282 19311 537 1 1 . 1 1 127 127 LEU N N 127 124.869 124.869 121.642 3.227 19311 538 1 1 . 1 1 127 127 LEU C C 127 175.007 175.007 175.248 -0.241 19311 539 1 1 . 1 1 127 127 LEU CA C 127 53.944 53.944 53.752 0.192 19311 540 1 1 . 1 1 127 127 LEU CB C 127 43.759 43.759 44.692 -0.933 19311 541 1 1 . 1 1 127 127 LEU H H 127 8.886 8.886 8.409 0.477 19311 542 1 1 . 1 1 128 128 VAL N N 128 122.817 122.817 116.606 6.211 19311 543 1 1 . 1 1 128 128 VAL C C 128 173.242 173.242 173.236 0.006 19311 544 1 1 . 1 1 128 128 VAL CA C 128 58.875 58.875 59.193 -0.318 19311 545 1 1 . 1 1 128 128 VAL CB C 128 34.062 34.062 35.472 -1.410 19311 546 1 1 . 1 1 128 128 VAL H H 128 8.737 8.737 8.510 0.227 19311 547 1 1 . 1 1 129 129 TYR N N 129 120.375 120.375 120.196 0.179 19311 548 1 1 . 1 1 129 129 TYR C C 129 176.280 176.280 176.227 0.053 19311 549 1 1 . 1 1 129 129 TYR CA C 129 57.265 57.265 57.078 0.187 19311 550 1 1 . 1 1 129 129 TYR CB C 129 38.931 38.931 40.271 -1.340 19311 551 1 1 . 1 1 129 129 TYR H H 129 8.585 8.585 8.418 0.167 19311 552 1 1 . 1 1 130 130 VAL N N 130 121.466 121.466 118.655 2.811 19311 553 1 1 . 1 1 130 130 VAL C C 130 174.139 174.139 175.101 -0.962 19311 554 1 1 . 1 1 130 130 VAL CA C 130 59.324 59.324 59.091 0.233 19311 555 1 1 . 1 1 130 130 VAL CB C 130 34.193 34.193 35.483 -1.290 19311 556 1 1 . 1 1 130 130 VAL H H 130 8.851 8.851 8.697 0.154 19311 557 1 1 . 1 1 131 131 THR N N 131 113.648 113.648 111.933 1.715 19311 558 1 1 . 1 1 131 131 THR C C 131 175.861 175.861 175.936 -0.075 19311 559 1 1 . 1 1 131 131 THR CA C 131 59.748 59.748 61.019 -1.271 19311 560 1 1 . 1 1 131 131 THR CB C 131 70.864 70.864 70.403 0.461 19311 561 1 1 . 1 1 131 131 THR H H 131 7.768 7.768 8.241 -0.473 19311 562 1 1 . 1 1 132 132 ASN N N 132 119.407 119.407 120.704 -1.297 19311 563 1 1 . 1 1 132 132 ASN CA C 132 56.643 56.643 56.792 -0.149 19311 564 1 1 . 1 1 132 132 ASN CB C 132 38.269 38.269 38.182 0.087 19311 565 1 1 . 1 1 132 132 ASN H H 132 8.518 8.518 8.790 -0.272 19311 566 1 1 . 1 1 133 133 SER C C 133 176.763 176.763 176.526 0.237 19311 567 1 1 . 1 1 133 133 SER CA C 133 61.287 61.287 61.925 -0.638 19311 568 1 1 . 1 1 134 134 ARG N N 134 124.193 124.193 121.297 2.896 19311 569 1 1 . 1 1 134 134 ARG C C 134 178.393 178.393 178.612 -0.219 19311 570 1 1 . 1 1 134 134 ARG CA C 134 57.034 57.034 59.518 -2.484 19311 571 1 1 . 1 1 134 134 ARG CB C 134 29.051 29.051 30.319 -1.268 19311 572 1 1 . 1 1 134 134 ARG H H 134 7.333 7.333 7.809 -0.476 19311 573 1 1 . 1 1 135 135 ALA N N 135 124.165 124.165 122.992 1.173 19311 574 1 1 . 1 1 135 135 ALA C C 135 180.063 180.063 179.809 0.254 19311 575 1 1 . 1 1 135 135 ALA CA C 135 55.239 55.239 55.194 0.045 19311 576 1 1 . 1 1 135 135 ALA CB C 135 16.063 16.063 18.211 -2.148 19311 577 1 1 . 1 1 135 135 ALA H H 135 8.656 8.656 8.504 0.152 19311 578 1 1 . 1 1 136 136 MET N N 136 117.770 117.770 117.887 -0.117 19311 579 1 1 . 1 1 136 136 MET C C 136 178.837 178.837 178.176 0.661 19311 580 1 1 . 1 1 136 136 MET CA C 136 58.214 58.214 58.765 -0.551 19311 581 1 1 . 1 1 136 136 MET CB C 136 31.493 31.493 32.649 -1.156 19311 582 1 1 . 1 1 136 136 MET H H 136 8.211 8.211 8.511 -0.300 19311 583 1 1 . 1 1 137 137 SER N N 137 114.607 114.607 114.184 0.423 19311 584 1 1 . 1 1 137 137 SER C C 137 176.196 176.196 175.897 0.299 19311 585 1 1 . 1 1 137 137 SER CA C 137 60.589 60.589 60.641 -0.052 19311 586 1 1 . 1 1 137 137 SER CB C 137 62.236 62.236 62.989 -0.752 19311 587 1 1 . 1 1 137 137 SER H H 137 8.021 8.021 8.152 -0.131 19311 588 1 1 . 1 1 138 138 HIS N N 138 120.793 120.793 117.121 3.672 19311 589 1 1 . 1 1 138 138 HIS C C 138 174.530 174.530 175.415 -0.885 19311 590 1 1 . 1 1 138 138 HIS CA C 138 58.296 58.296 57.367 0.930 19311 591 1 1 . 1 1 138 138 HIS CB C 138 29.593 29.593 30.244 -0.651 19311 592 1 1 . 1 1 138 138 HIS H H 138 8.462 8.462 8.025 0.437 19311 593 1 1 . 1 1 139 139 PHE N N 139 114.046 114.046 115.255 -1.209 19311 594 1 1 . 1 1 139 139 PHE C C 139 173.540 173.540 175.693 -2.153 19311 595 1 1 . 1 1 139 139 PHE CA C 139 58.722 58.722 58.927 -0.205 19311 596 1 1 . 1 1 139 139 PHE CB C 139 38.583 38.583 39.176 -0.593 19311 597 1 1 . 1 1 139 139 PHE H H 139 7.466 7.466 7.982 -0.516 19311 598 1 1 . 1 1 140 140 LYS N N 140 110.734 110.734 113.614 -2.880 19311 599 1 1 . 1 1 140 140 LYS C C 140 175.951 175.951 175.052 0.899 19311 600 1 1 . 1 1 140 140 LYS CA C 140 56.106 56.106 56.926 -0.820 19311 601 1 1 . 1 1 140 140 LYS CB C 140 27.887 27.887 29.705 -1.818 19311 602 1 1 . 1 1 140 140 LYS H H 140 7.141 7.141 8.020 -0.879 19311 603 1 1 . 1 1 141 141 ILE N N 141 114.716 114.716 121.589 -6.873 19311 604 1 1 . 1 1 141 141 ILE C C 141 173.514 173.514 174.921 -1.407 19311 605 1 1 . 1 1 141 141 ILE CA C 141 58.801 58.801 58.846 -0.045 19311 606 1 1 . 1 1 141 141 ILE CB C 141 41.595 41.595 37.831 3.764 19311 607 1 1 . 1 1 141 141 ILE H H 141 7.309 7.309 7.869 -0.560 19311 608 1 1 . 1 1 142 142 SER N N 142 115.031 115.031 121.651 -6.620 19311 609 1 1 . 1 1 142 142 SER C C 142 176.437 176.437 174.191 2.246 19311 610 1 1 . 1 1 142 142 SER CA C 142 55.685 55.685 58.320 -2.635 19311 611 1 1 . 1 1 142 142 SER CB C 142 62.911 62.911 64.265 -1.354 19311 612 1 1 . 1 1 142 142 SER H H 142 7.814 7.814 8.416 -0.602 19311 613 1 1 . 1 1 143 143 LEU N N 143 127.405 127.405 121.258 6.147 19311 614 1 1 . 1 1 143 143 LEU C C 143 178.496 178.496 178.479 0.017 19311 615 1 1 . 1 1 143 143 LEU CA C 143 56.183 56.183 55.672 0.510 19311 616 1 1 . 1 1 143 143 LEU CB C 143 40.186 40.186 42.776 -2.591 19311 617 1 1 . 1 1 143 143 LEU H H 143 8.735 8.735 8.982 -0.247 19311 618 1 1 . 1 1 144 144 SER N N 144 114.479 114.479 114.205 0.274 19311 619 1 1 . 1 1 144 144 SER CA C 144 60.242 60.242 60.646 -0.404 19311 620 1 1 . 1 1 144 144 SER CB C 144 61.694 61.694 62.859 -1.165 19311 621 1 1 . 1 1 144 144 SER H H 144 8.140 8.140 8.231 -0.091 19311 622 1 1 . 1 1 145 145 ASN N N 145 117.299 117.299 117.300 -0.001 19311 623 1 1 . 1 1 145 145 ASN C C 145 175.940 175.940 174.849 1.091 19311 624 1 1 . 1 1 145 145 ASN CA C 145 54.269 54.269 54.354 -0.085 19311 625 1 1 . 1 1 145 145 ASN CB C 145 38.284 38.284 39.467 -1.183 19311 626 1 1 . 1 1 145 145 ASN H H 145 7.735 7.735 8.172 -0.437 19311 627 1 1 . 1 1 146 146 ILE N N 146 112.479 112.479 112.997 -0.518 19311 628 1 1 . 1 1 146 146 ILE C C 146 174.155 174.155 175.618 -1.463 19311 629 1 1 . 1 1 146 146 ILE CA C 146 60.838 60.838 61.382 -0.544 19311 630 1 1 . 1 1 146 146 ILE CB C 146 39.123 39.123 39.163 -0.040 19311 631 1 1 . 1 1 146 146 ILE H H 146 7.489 7.489 7.144 0.345 19311 632 1 1 . 1 1 147 147 SER N N 147 114.961 114.961 113.803 1.158 19311 633 1 1 . 1 1 147 147 SER CA C 147 56.770 56.770 58.375 -1.605 19311 634 1 1 . 1 1 147 147 SER CB C 147 64.077 64.077 65.680 -1.602 19311 635 1 1 . 1 1 147 147 SER H H 147 7.794 7.794 7.828 -0.034 19311 636 1 1 . 1 1 148 148 SER C C 148 174.292 174.292 173.560 0.732 19311 637 1 1 . 1 1 148 148 SER CA C 148 58.192 58.192 59.485 -1.293 19311 638 1 1 . 1 1 148 148 SER CB C 148 62.840 62.840 62.196 0.644 19311 639 1 1 . 1 1 149 149 LYS N N 149 122.096 122.096 119.809 2.287 19311 640 1 1 . 1 1 149 149 LYS CA C 149 54.607 54.607 54.331 0.276 19311 641 1 1 . 1 1 149 149 LYS CB C 149 33.707 33.707 33.520 0.187 19311 642 1 1 . 1 1 149 149 LYS H H 149 8.049 8.049 7.408 0.641 19311 643 1 1 . 1 1 150 150 GLU N N 150 120.070 120.070 118.162 1.908 19311 644 1 1 . 1 1 150 150 GLU C C 150 174.162 174.162 176.279 -2.117 19311 645 1 1 . 1 1 150 150 GLU CA C 150 56.703 56.703 57.024 -0.321 19311 646 1 1 . 1 1 150 150 GLU CB C 150 29.037 29.037 31.259 -2.222 19311 647 1 1 . 1 1 150 150 GLU H H 150 8.613 8.613 8.514 0.099 19311 648 1 1 . 1 1 151 151 ILE N N 151 118.006 118.006 112.854 5.152 19311 649 1 1 . 1 1 151 151 ILE C C 151 175.069 175.069 173.852 1.217 19311 650 1 1 . 1 1 151 151 ILE CA C 151 59.088 59.088 59.019 0.069 19311 651 1 1 . 1 1 151 151 ILE CB C 151 39.773 39.773 42.362 -2.589 19311 652 1 1 . 1 1 151 151 ILE H H 151 6.873 6.873 7.427 -0.554 19311 653 1 1 . 1 1 152 152 VAL N N 152 117.278 117.278 120.841 -3.563 19311 654 1 1 . 1 1 152 152 VAL CA C 152 56.340 56.340 57.895 -1.555 19311 655 1 1 . 1 1 152 152 VAL CB C 152 33.340 33.340 36.550 -3.210 19311 656 1 1 . 1 1 152 152 VAL H H 152 8.401 8.401 9.165 -0.764 19311 657 1 1 . 1 1 153 153 PRO C C 153 175.090 175.090 175.400 -0.310 19311 658 1 1 . 1 1 153 153 PRO CA C 153 60.885 60.885 62.275 -1.390 19311 659 1 1 . 1 1 153 153 PRO CB C 153 31.113 31.113 31.814 -0.701 19311 660 1 1 . 1 1 154 154 VAL N N 154 124.951 124.951 120.309 4.642 19311 661 1 1 . 1 1 154 154 VAL C C 154 174.325 174.325 174.347 -0.022 19311 662 1 1 . 1 1 154 154 VAL CA C 154 59.700 59.700 60.480 -0.780 19311 663 1 1 . 1 1 154 154 VAL CB C 154 35.364 35.364 36.314 -0.950 19311 664 1 1 . 1 1 154 154 VAL H H 154 9.206 9.206 8.556 0.650 19311 665 1 1 . 1 1 155 155 LEU N N 155 122.272 122.272 127.625 -5.353 19311 666 1 1 . 1 1 155 155 LEU C C 155 174.865 174.865 174.561 0.304 19311 667 1 1 . 1 1 155 155 LEU CA C 155 52.543 52.543 53.611 -1.068 19311 668 1 1 . 1 1 155 155 LEU CB C 155 43.016 43.016 43.364 -0.348 19311 669 1 1 . 1 1 155 155 LEU H H 155 7.818 7.818 8.789 -0.971 19311 670 1 1 . 1 1 156 156 ASN N N 156 126.663 126.663 126.490 0.173 19311 671 1 1 . 1 1 156 156 ASN C C 156 174.956 174.956 174.067 0.889 19311 672 1 1 . 1 1 156 156 ASN CA C 156 51.381 51.381 52.014 -0.633 19311 673 1 1 . 1 1 156 156 ASN CB C 156 38.588 38.588 39.855 -1.267 19311 674 1 1 . 1 1 156 156 ASN H H 156 9.256 9.256 9.075 0.181 19311 675 1 1 . 1 1 157 157 VAL N N 157 126.547 126.547 126.372 0.175 19311 676 1 1 . 1 1 157 157 VAL C C 157 174.990 174.990 174.933 0.057 19311 677 1 1 . 1 1 157 157 VAL CA C 157 62.737 62.737 61.662 1.075 19311 678 1 1 . 1 1 157 157 VAL CB C 157 33.901 33.901 34.236 -0.335 19311 679 1 1 . 1 1 157 157 VAL H H 157 8.730 8.730 8.803 -0.073 19311 680 1 1 . 1 1 158 158 ASN N N 158 122.925 122.925 123.736 -0.811 19311 681 1 1 . 1 1 158 158 ASN C C 158 174.151 174.151 175.426 -1.275 19311 682 1 1 . 1 1 158 158 ASN CA C 158 53.155 53.155 53.963 -0.808 19311 683 1 1 . 1 1 158 158 ASN CB C 158 40.955 40.955 41.295 -0.340 19311 684 1 1 . 1 1 158 158 ASN H H 158 8.086 8.086 8.893 -0.807 19311 685 1 1 . 1 1 159 159 GLN N N 159 118.639 118.639 118.581 0.058 19311 686 1 1 . 1 1 159 159 GLN C C 159 174.146 174.146 173.691 0.455 19311 687 1 1 . 1 1 159 159 GLN CA C 159 54.960 54.960 54.897 0.063 19311 688 1 1 . 1 1 159 159 GLN CB C 159 33.259 33.259 31.727 1.532 19311 689 1 1 . 1 1 159 159 GLN H H 159 8.013 8.013 8.105 -0.092 19311 690 1 1 . 1 1 160 160 ALA N N 160 121.359 121.359 126.412 -5.053 19311 691 1 1 . 1 1 160 160 ALA C C 160 176.623 176.623 175.766 0.857 19311 692 1 1 . 1 1 160 160 ALA CA C 160 51.336 51.336 51.362 -0.026 19311 693 1 1 . 1 1 160 160 ALA CB C 160 20.748 20.748 22.915 -2.167 19311 694 1 1 . 1 1 160 160 ALA H H 160 8.277 8.277 8.624 -0.347 19311 695 1 1 . 1 1 161 161 THR N N 161 115.028 115.028 114.215 0.813 19311 696 1 1 . 1 1 161 161 THR CA C 161 59.988 59.988 61.033 -1.045 19311 697 1 1 . 1 1 161 161 THR CB C 161 69.766 69.766 71.806 -2.040 19311 698 1 1 . 1 1 161 161 THR H H 161 9.101 9.101 8.898 0.203 19311 699 1 1 . 1 1 162 162 ILE C C 162 175.079 175.079 175.735 -0.656 19311 700 1 1 . 1 1 162 162 ILE CA C 162 62.025 62.025 62.771 -0.746 19311 701 1 1 . 1 1 162 162 ILE CB C 162 39.360 39.360 38.334 1.026 19311 702 1 1 . 1 1 163 163 PHE N N 163 128.730 128.730 128.511 0.219 19311 703 1 1 . 1 1 163 163 PHE CA C 163 59.063 59.063 58.561 0.502 19311 704 1 1 . 1 1 163 163 PHE CB C 163 39.535 39.535 41.178 -1.643 19311 705 1 1 . 1 1 163 163 PHE H H 163 9.310 9.310 9.062 0.248 19311 706 1 1 . 1 1 165 165 ILE C C 165 175.305 175.305 174.561 0.744 19311 707 1 1 . 1 1 165 165 ILE CA C 165 60.713 60.713 60.482 0.231 19311 708 1 1 . 1 1 165 165 ILE CB C 165 38.555 38.555 38.658 -0.103 19311 709 1 1 . 1 1 166 166 ASP N N 166 124.971 124.971 123.322 1.649 19311 710 1 1 . 1 1 166 166 ASP C C 166 175.583 175.583 176.255 -0.672 19311 711 1 1 . 1 1 166 166 ASP CA C 166 53.988 53.988 55.056 -1.068 19311 712 1 1 . 1 1 166 166 ASP CB C 166 41.109 41.109 41.239 -0.130 19311 713 1 1 . 1 1 166 166 ASP H H 166 8.400 8.400 7.844 0.556 19311 714 1 1 . 1 1 167 167 GLN N N 167 122.323 122.323 123.939 -1.616 19311 715 1 1 . 1 1 167 167 GLN C C 167 175.699 175.699 175.363 0.336 19311 716 1 1 . 1 1 167 167 GLN CA C 167 55.012 55.012 56.654 -1.642 19311 717 1 1 . 1 1 167 167 GLN CB C 167 28.830 28.830 28.885 -0.055 19311 718 1 1 . 1 1 167 167 GLN H H 167 8.379 8.379 8.447 -0.068 19311 719 1 1 . 1 1 168 168 VAL N N 168 122.545 122.545 128.138 -5.593 19311 720 1 1 . 1 1 168 168 VAL C C 168 176.586 176.586 175.827 0.759 19311 721 1 1 . 1 1 168 168 VAL CA C 168 62.315 62.315 61.362 0.953 19311 722 1 1 . 1 1 168 168 VAL CB C 168 31.976 31.976 33.106 -1.130 19311 723 1 1 . 1 1 168 168 VAL H H 168 8.097 8.097 8.188 -0.091 19311 724 1 1 . 1 1 169 169 GLY N N 169 112.864 112.864 113.757 -0.893 19311 725 1 1 . 1 1 169 169 GLY CA C 169 44.508 44.508 44.735 -0.227 19311 726 1 1 . 1 1 169 169 GLY H H 169 8.349 8.349 8.557 -0.208 19311 727 1 1 . 1 1 171 171 LEU C C 171 177.338 177.338 176.745 0.593 19311 728 1 1 . 1 1 171 171 LEU CA C 171 54.598 54.598 54.881 -0.283 19311 729 1 1 . 1 1 171 171 LEU CB C 171 40.893 40.893 42.406 -1.513 19311 730 1 1 . 1 1 172 172 SER N N 172 117.418 117.418 120.311 -2.893 19311 731 1 1 . 1 1 172 172 SER C C 172 172.759 172.759 174.241 -1.482 19311 732 1 1 . 1 1 172 172 SER CA C 172 57.862 57.862 58.101 -0.239 19311 733 1 1 . 1 1 172 172 SER CB C 172 63.116 63.116 64.376 -1.260 19311 734 1 1 . 1 1 172 172 SER H H 172 7.985 7.985 8.824 -0.839 19311 735 1 1 . 1 1 173 173 THR N N 173 116.665 116.665 114.721 1.944 19311 736 1 1 . 1 1 173 173 THR C C 173 173.571 173.571 173.210 0.361 19311 737 1 1 . 1 1 173 173 THR CA C 173 61.126 61.126 60.975 0.151 19311 738 1 1 . 1 1 173 173 THR CB C 173 69.260 69.260 70.244 -0.984 19311 739 1 1 . 1 1 173 173 THR H H 173 7.922 7.922 7.316 0.606 19311 740 1 1 . 1 1 174 174 PHE N N 174 125.740 125.740 120.733 5.007 19311 741 1 1 . 1 1 174 174 PHE CA C 174 54.742 54.742 54.671 0.071 19311 742 1 1 . 1 1 174 174 PHE CB C 174 38.364 38.364 37.963 0.401 19311 743 1 1 . 1 1 174 174 PHE H H 174 8.618 8.618 8.177 0.441 19311 744 1 1 . 1 1 175 175 PRO C C 175 178.235 178.235 177.552 0.683 19311 745 1 1 . 1 1 175 175 PRO CA C 175 61.555 61.555 63.372 -1.817 19311 746 1 1 . 1 1 175 175 PRO CB C 175 31.606 31.606 32.021 -0.415 19311 747 1 1 . 1 1 176 176 PHE N N 176 119.598 119.598 124.419 -4.821 19311 748 1 1 . 1 1 176 176 PHE C C 176 178.361 178.361 178.078 0.283 19311 749 1 1 . 1 1 176 176 PHE CA C 176 59.631 59.631 58.966 0.665 19311 750 1 1 . 1 1 176 176 PHE CB C 176 39.493 39.493 38.725 0.768 19311 751 1 1 . 1 1 176 176 PHE H H 176 9.179 9.179 9.153 0.026 19311 752 1 1 . 1 1 177 177 VAL N N 177 121.283 121.283 117.933 3.350 19311 753 1 1 . 1 1 177 177 VAL C C 177 174.922 174.922 175.706 -0.784 19311 754 1 1 . 1 1 177 177 VAL CA C 177 62.670 62.670 64.482 -1.812 19311 755 1 1 . 1 1 177 177 VAL CB C 177 31.437 31.437 31.356 0.081 19311 756 1 1 . 1 1 177 177 VAL H H 177 9.408 9.408 8.101 1.307 19311 757 1 1 . 1 1 178 178 TYR N N 178 116.602 116.602 115.619 0.983 19311 758 1 1 . 1 1 178 178 TYR C C 178 176.839 176.839 177.670 -0.831 19311 759 1 1 . 1 1 178 178 TYR CA C 178 56.575 56.575 59.819 -3.244 19311 760 1 1 . 1 1 178 178 TYR CB C 178 35.764 35.764 39.564 -3.800 19311 761 1 1 . 1 1 178 178 TYR H H 178 6.166 6.166 7.444 -1.278 19311 762 1 1 . 1 1 179 179 LYS N N 179 118.114 118.114 120.764 -2.650 19311 763 1 1 . 1 1 179 179 LYS C C 179 176.384 176.384 177.170 -0.786 19311 764 1 1 . 1 1 179 179 LYS CA C 179 57.540 57.540 59.296 -1.756 19311 765 1 1 . 1 1 179 179 LYS CB C 179 31.024 31.024 32.647 -1.623 19311 766 1 1 . 1 1 179 179 LYS H H 179 7.554 7.554 8.128 -0.574 19311 767 1 1 . 1 1 180 180 TYR N N 180 117.346 117.346 115.947 1.399 19311 768 1 1 . 1 1 180 180 TYR C C 180 174.479 174.479 174.602 -0.123 19311 769 1 1 . 1 1 180 180 TYR CA C 180 57.407 57.407 57.434 -0.027 19311 770 1 1 . 1 1 180 180 TYR CB C 180 38.020 38.020 37.552 0.468 19311 771 1 1 . 1 1 180 180 TYR H H 180 7.788 7.788 7.716 0.072 19311 772 1 2 . 1 1 13 13 THR C C 13 174.300 174.300 174.904 -0.604 19311 773 1 2 . 1 1 13 13 THR CA C 13 61.472 61.472 62.151 -0.679 19311 774 1 2 . 1 1 13 13 THR CB C 13 69.201 69.201 69.397 -0.196 19311 775 1 2 . 1 1 14 14 ASP N N 14 123.228 123.228 122.576 0.652 19311 776 1 2 . 1 1 14 14 ASP C C 14 176.245 176.245 177.076 -0.831 19311 777 1 2 . 1 1 14 14 ASP CA C 14 53.996 53.996 54.435 -0.439 19311 778 1 2 . 1 1 14 14 ASP CB C 14 41.601 41.601 41.587 0.014 19311 779 1 2 . 1 1 14 14 ASP H H 14 8.321 8.321 7.569 0.752 19311 780 1 2 . 1 1 15 15 SER N N 15 115.463 115.463 116.790 -1.327 19311 781 1 2 . 1 1 15 15 SER C C 15 175.991 175.991 176.244 -0.253 19311 782 1 2 . 1 1 15 15 SER CA C 15 58.020 58.020 58.700 -0.680 19311 783 1 2 . 1 1 15 15 SER CB C 15 63.080 63.080 63.819 -0.739 19311 784 1 2 . 1 1 15 15 SER H H 15 8.403 8.403 8.500 -0.097 19311 785 1 2 . 1 1 16 16 VAL N N 16 124.538 124.538 122.333 2.205 19311 786 1 2 . 1 1 16 16 VAL C C 16 176.097 176.097 176.877 -0.780 19311 787 1 2 . 1 1 16 16 VAL CA C 16 62.750 62.750 64.972 -2.222 19311 788 1 2 . 1 1 16 16 VAL CB C 16 30.859 30.859 31.555 -0.696 19311 789 1 2 . 1 1 16 16 VAL H H 16 8.139 8.139 7.767 0.372 19311 790 1 2 . 1 1 17 17 PHE N N 17 119.242 119.242 114.883 4.359 19311 791 1 2 . 1 1 17 17 PHE C C 17 176.086 176.086 175.868 0.218 19311 792 1 2 . 1 1 17 17 PHE CA C 17 58.934 58.934 57.964 0.970 19311 793 1 2 . 1 1 17 17 PHE CB C 17 38.133 38.133 38.605 -0.472 19311 794 1 2 . 1 1 17 17 PHE H H 17 7.575 7.575 7.623 -0.049 19311 795 1 2 . 1 1 18 18 LEU N N 18 121.292 121.292 121.612 -0.320 19311 796 1 2 . 1 1 18 18 LEU C C 18 173.871 173.871 174.975 -1.104 19311 797 1 2 . 1 1 18 18 LEU CA C 18 54.048 54.048 53.886 0.162 19311 798 1 2 . 1 1 18 18 LEU CB C 18 41.529 41.529 41.970 -0.441 19311 799 1 2 . 1 1 18 18 LEU H H 18 7.586 7.586 7.435 0.151 19311 800 1 2 . 1 1 19 19 GLN N N 19 128.124 128.124 124.783 3.341 19311 801 1 2 . 1 1 19 19 GLN CA C 19 53.131 53.131 51.782 1.349 19311 802 1 2 . 1 1 19 19 GLN CB C 19 30.299 30.299 28.855 1.444 19311 803 1 2 . 1 1 19 19 GLN H H 19 8.893 8.893 7.832 1.061 19311 804 1 2 . 1 1 20 20 PRO C C 20 176.974 176.974 176.411 0.563 19311 805 1 2 . 1 1 20 20 PRO CA C 20 62.459 62.459 63.934 -1.475 19311 806 1 2 . 1 1 20 20 PRO CB C 20 29.693 29.693 31.437 -1.744 19311 807 1 2 . 1 1 21 21 TRP N N 21 126.042 126.042 122.355 3.687 19311 808 1 2 . 1 1 21 21 TRP C C 21 176.624 176.624 176.050 0.574 19311 809 1 2 . 1 1 21 21 TRP CA C 21 58.241 58.241 56.962 1.279 19311 810 1 2 . 1 1 21 21 TRP CB C 21 31.457 31.457 30.392 1.065 19311 811 1 2 . 1 1 21 21 TRP H H 21 9.813 9.813 9.286 0.527 19311 812 1 2 . 1 1 22 22 ILE N N 22 128.281 128.281 122.852 5.429 19311 813 1 2 . 1 1 22 22 ILE C C 22 176.776 176.776 177.400 -0.624 19311 814 1 2 . 1 1 22 22 ILE CA C 22 66.628 66.628 65.003 1.625 19311 815 1 2 . 1 1 22 22 ILE CB C 22 37.455 37.455 37.382 0.073 19311 816 1 2 . 1 1 22 22 ILE H H 22 8.438 8.438 8.133 0.305 19311 817 1 2 . 1 1 23 23 LYS N N 23 121.661 121.661 120.389 1.272 19311 818 1 2 . 1 1 23 23 LYS C C 23 177.812 177.812 178.029 -0.217 19311 819 1 2 . 1 1 23 23 LYS CA C 23 60.467 60.467 59.339 1.129 19311 820 1 2 . 1 1 23 23 LYS CB C 23 31.055 31.055 31.925 -0.870 19311 821 1 2 . 1 1 23 23 LYS H H 23 9.062 9.062 8.134 0.928 19311 822 1 2 . 1 1 24 24 ALA N N 24 120.454 120.454 120.476 -0.022 19311 823 1 2 . 1 1 24 24 ALA C C 24 179.285 179.285 179.700 -0.415 19311 824 1 2 . 1 1 24 24 ALA CA C 24 54.076 54.076 54.708 -0.631 19311 825 1 2 . 1 1 24 24 ALA CB C 24 17.220 17.220 17.768 -0.548 19311 826 1 2 . 1 1 24 24 ALA H H 24 8.447 8.447 8.256 0.191 19311 827 1 2 . 1 1 25 25 LEU N N 25 120.482 120.482 117.355 3.127 19311 828 1 2 . 1 1 25 25 LEU C C 25 180.269 180.269 178.700 1.569 19311 829 1 2 . 1 1 25 25 LEU CA C 25 58.102 58.102 57.693 0.409 19311 830 1 2 . 1 1 25 25 LEU CB C 25 41.636 41.636 41.956 -0.320 19311 831 1 2 . 1 1 25 25 LEU H H 25 8.071 8.071 7.404 0.667 19311 832 1 2 . 1 1 26 26 ILE N N 26 119.868 119.868 112.343 7.525 19311 833 1 2 . 1 1 26 26 ILE C C 26 179.617 179.617 176.361 3.256 19311 834 1 2 . 1 1 26 26 ILE CA C 26 63.547 63.547 61.429 2.118 19311 835 1 2 . 1 1 26 26 ILE CB C 26 35.786 35.786 38.823 -3.037 19311 836 1 2 . 1 1 26 26 ILE H H 26 8.158 8.158 7.514 0.644 19311 837 1 2 . 1 1 27 27 GLU N N 27 122.067 122.067 120.815 1.252 19311 838 1 2 . 1 1 27 27 GLU C C 27 179.103 179.103 178.775 0.328 19311 839 1 2 . 1 1 27 27 GLU CA C 27 59.138 59.138 59.471 -0.333 19311 840 1 2 . 1 1 27 27 GLU CB C 27 28.461 28.461 29.789 -1.328 19311 841 1 2 . 1 1 27 27 GLU H H 27 8.543 8.543 7.844 0.699 19311 842 1 2 . 1 1 28 28 ASP N N 28 119.228 119.228 117.687 1.541 19311 843 1 2 . 1 1 28 28 ASP C C 28 176.992 176.992 176.617 0.375 19311 844 1 2 . 1 1 28 28 ASP CA C 28 55.657 55.657 56.067 -0.410 19311 845 1 2 . 1 1 28 28 ASP CB C 28 40.403 40.403 40.993 -0.590 19311 846 1 2 . 1 1 28 28 ASP H H 28 8.396 8.396 8.279 0.117 19311 847 1 2 . 1 1 29 29 ASN N N 29 117.545 117.545 116.568 0.977 19311 848 1 2 . 1 1 29 29 ASN C C 29 174.277 174.277 175.234 -0.957 19311 849 1 2 . 1 1 29 29 ASN CA C 29 53.694 53.694 52.853 0.841 19311 850 1 2 . 1 1 29 29 ASN CB C 29 40.069 40.069 38.980 1.089 19311 851 1 2 . 1 1 29 29 ASN H H 29 7.536 7.536 7.770 -0.234 19311 852 1 2 . 1 1 30 30 SER N N 30 115.444 115.444 115.284 0.160 19311 853 1 2 . 1 1 30 30 SER C C 30 173.942 173.942 175.298 -1.356 19311 854 1 2 . 1 1 30 30 SER CA C 30 58.804 58.804 59.807 -1.003 19311 855 1 2 . 1 1 30 30 SER CB C 30 63.838 63.838 63.661 0.177 19311 856 1 2 . 1 1 30 30 SER H H 30 7.704 7.704 7.591 0.113 19311 857 1 2 . 1 1 31 31 GLU N N 31 122.456 122.456 120.314 2.142 19311 858 1 2 . 1 1 31 31 GLU C C 31 176.234 176.234 176.307 -0.073 19311 859 1 2 . 1 1 31 31 GLU CA C 31 55.633 55.633 56.111 -0.478 19311 860 1 2 . 1 1 31 31 GLU CB C 31 29.619 29.619 29.492 0.126 19311 861 1 2 . 1 1 31 31 GLU H H 31 8.287 8.287 8.419 -0.132 19311 862 1 2 . 1 1 32 32 HIS N N 32 120.953 120.953 117.280 3.673 19311 863 1 2 . 1 1 32 32 HIS C C 32 174.779 174.779 174.504 0.275 19311 864 1 2 . 1 1 32 32 HIS CA C 32 56.355 56.355 55.267 1.088 19311 865 1 2 . 1 1 32 32 HIS CB C 32 29.467 29.467 30.449 -0.982 19311 866 1 2 . 1 1 32 32 HIS H H 32 8.207 8.207 7.747 0.460 19311 867 1 2 . 1 1 33 33 ASP N N 33 120.471 120.471 119.460 1.011 19311 868 1 2 . 1 1 33 33 ASP C C 33 175.225 175.225 176.399 -1.174 19311 869 1 2 . 1 1 33 33 ASP CA C 33 54.277 54.277 53.261 1.016 19311 870 1 2 . 1 1 33 33 ASP CB C 33 40.007 40.007 41.631 -1.624 19311 871 1 2 . 1 1 33 33 ASP H H 33 8.256 8.256 8.465 -0.209 19311 872 1 2 . 1 1 34 34 GLN N N 34 118.522 118.522 119.180 -0.658 19311 873 1 2 . 1 1 34 34 GLN C C 34 175.275 175.275 174.974 0.301 19311 874 1 2 . 1 1 34 34 GLN CA C 34 55.388 55.388 56.494 -1.106 19311 875 1 2 . 1 1 34 34 GLN CB C 34 28.586 28.586 26.895 1.691 19311 876 1 2 . 1 1 34 34 GLN H H 34 7.854 7.854 8.454 -0.600 19311 877 1 2 . 1 1 35 35 TYR N N 35 120.831 120.831 116.664 4.167 19311 878 1 2 . 1 1 35 35 TYR C C 35 174.882 174.882 174.037 0.845 19311 879 1 2 . 1 1 35 35 TYR CA C 35 56.752 56.752 58.120 -1.368 19311 880 1 2 . 1 1 35 35 TYR CB C 35 36.712 36.712 35.428 1.284 19311 881 1 2 . 1 1 35 35 TYR H H 35 8.072 8.072 8.530 -0.458 19311 882 1 2 . 1 1 36 36 HIS N N 36 121.429 121.429 122.366 -0.937 19311 883 1 2 . 1 1 36 36 HIS CA C 36 53.280 53.280 54.045 -0.765 19311 884 1 2 . 1 1 36 36 HIS CB C 36 29.223 29.223 31.584 -2.361 19311 885 1 2 . 1 1 36 36 HIS H H 36 7.788 7.788 7.708 0.080 19311 886 1 2 . 1 1 37 37 PRO C C 37 177.021 177.021 175.733 1.288 19311 887 1 2 . 1 1 37 37 PRO CA C 37 62.947 62.947 62.751 0.196 19311 888 1 2 . 1 1 37 37 PRO CB C 37 31.735 31.735 33.272 -1.537 19311 889 1 2 . 1 1 38 38 SER N N 38 117.550 117.550 116.699 0.851 19311 890 1 2 . 1 1 38 38 SER C C 38 174.281 174.281 174.592 -0.311 19311 891 1 2 . 1 1 38 38 SER CA C 38 57.494 57.494 56.579 0.915 19311 892 1 2 . 1 1 38 38 SER CB C 38 63.795 63.795 65.241 -1.446 19311 893 1 2 . 1 1 38 38 SER H H 38 8.808 8.808 8.628 0.180 19311 894 1 2 . 1 1 39 39 GLY N N 39 113.547 113.547 108.332 5.215 19311 895 1 2 . 1 1 39 39 GLY C C 39 173.690 173.690 173.413 0.277 19311 896 1 2 . 1 1 39 39 GLY CA C 39 44.463 44.463 43.888 0.575 19311 897 1 2 . 1 1 39 39 GLY H H 39 8.564 8.564 8.542 0.022 19311 898 1 2 . 1 1 40 40 HIS N N 40 121.529 121.529 117.765 3.764 19311 899 1 2 . 1 1 40 40 HIS C C 40 175.794 175.794 176.046 -0.252 19311 900 1 2 . 1 1 40 40 HIS CA C 40 55.796 55.796 57.375 -1.579 19311 901 1 2 . 1 1 40 40 HIS CB C 40 26.887 26.887 29.922 -3.035 19311 902 1 2 . 1 1 40 40 HIS H H 40 9.071 9.071 8.245 0.826 19311 903 1 2 . 1 1 41 41 VAL N N 41 115.423 115.423 117.773 -2.350 19311 904 1 2 . 1 1 41 41 VAL C C 41 176.247 176.247 174.881 1.366 19311 905 1 2 . 1 1 41 41 VAL CA C 41 62.424 62.424 62.109 0.315 19311 906 1 2 . 1 1 41 41 VAL CB C 41 31.201 31.201 33.506 -2.305 19311 907 1 2 . 1 1 41 41 VAL H H 41 8.201 8.201 8.780 -0.579 19311 908 1 2 . 1 1 42 42 ILE N N 42 120.213 120.213 121.348 -1.135 19311 909 1 2 . 1 1 42 42 ILE CA C 42 58.655 58.655 56.490 2.165 19311 910 1 2 . 1 1 42 42 ILE CB C 42 39.579 39.579 37.838 1.741 19311 911 1 2 . 1 1 42 42 ILE H H 42 7.305 7.305 7.559 -0.254 19311 912 1 2 . 1 1 43 43 PRO C C 43 177.076 177.076 176.387 0.689 19311 913 1 2 . 1 1 43 43 PRO CA C 43 62.446 62.446 63.191 -0.745 19311 914 1 2 . 1 1 43 43 PRO CB C 43 32.486 32.486 32.690 -0.204 19311 915 1 2 . 1 1 44 44 SER N N 44 116.530 116.530 115.837 0.693 19311 916 1 2 . 1 1 44 44 SER C C 44 173.398 173.398 173.830 -0.432 19311 917 1 2 . 1 1 44 44 SER CA C 44 57.636 57.636 57.951 -0.315 19311 918 1 2 . 1 1 44 44 SER CB C 44 63.032 63.032 63.495 -0.463 19311 919 1 2 . 1 1 44 44 SER H H 44 8.436 8.436 8.355 0.081 19311 920 1 2 . 1 1 45 45 LEU N N 45 127.441 127.441 126.458 0.983 19311 921 1 2 . 1 1 45 45 LEU C C 45 178.103 178.103 177.036 1.067 19311 922 1 2 . 1 1 45 45 LEU CA C 45 52.534 52.534 53.749 -1.216 19311 923 1 2 . 1 1 45 45 LEU CB C 45 42.737 42.737 44.264 -1.527 19311 924 1 2 . 1 1 45 45 LEU H H 45 9.947 9.947 8.314 1.633 19311 925 1 2 . 1 1 46 46 THR N N 46 114.571 114.571 114.340 0.231 19311 926 1 2 . 1 1 46 46 THR C C 46 175.217 175.217 175.338 -0.121 19311 927 1 2 . 1 1 46 46 THR CA C 46 60.441 60.441 60.281 0.160 19311 928 1 2 . 1 1 46 46 THR CB C 46 71.156 71.156 70.792 0.364 19311 929 1 2 . 1 1 46 46 THR H H 46 9.328 9.328 8.764 0.564 19311 930 1 2 . 1 1 47 47 LYS N N 47 120.404 120.404 120.647 -0.243 19311 931 1 2 . 1 1 47 47 LYS C C 47 179.434 179.434 178.724 0.710 19311 932 1 2 . 1 1 47 47 LYS CA C 47 59.340 59.340 60.433 -1.093 19311 933 1 2 . 1 1 47 47 LYS CB C 47 30.960 30.960 32.172 -1.212 19311 934 1 2 . 1 1 47 47 LYS H H 47 8.690 8.690 8.579 0.111 19311 935 1 2 . 1 1 48 48 GLN N N 48 119.487 119.487 117.590 1.897 19311 936 1 2 . 1 1 48 48 GLN C C 48 178.691 178.691 178.490 0.201 19311 937 1 2 . 1 1 48 48 GLN CA C 48 58.356 58.356 58.734 -0.378 19311 938 1 2 . 1 1 48 48 GLN CB C 48 27.365 27.365 28.510 -1.145 19311 939 1 2 . 1 1 48 48 GLN H H 48 8.082 8.082 8.052 0.030 19311 940 1 2 . 1 1 49 49 ASP N N 49 122.541 122.541 120.396 2.145 19311 941 1 2 . 1 1 49 49 ASP C C 49 175.759 175.759 178.412 -2.653 19311 942 1 2 . 1 1 49 49 ASP CA C 49 57.516 57.516 56.854 0.662 19311 943 1 2 . 1 1 49 49 ASP CB C 49 41.147 41.147 40.694 0.453 19311 944 1 2 . 1 1 49 49 ASP H H 49 7.743 7.743 7.483 0.260 19311 945 1 2 . 1 1 50 50 LEU N N 50 113.803 113.803 119.779 -5.976 19311 946 1 2 . 1 1 50 50 LEU C C 50 178.243 178.243 179.554 -1.311 19311 947 1 2 . 1 1 50 50 LEU CA C 50 56.063 56.063 57.723 -1.660 19311 948 1 2 . 1 1 50 50 LEU CB C 50 41.162 41.162 41.796 -0.634 19311 949 1 2 . 1 1 50 50 LEU H H 50 7.307 7.307 8.361 -1.054 19311 950 1 2 . 1 1 51 51 ALA N N 51 120.417 120.417 121.837 -1.420 19311 951 1 2 . 1 1 51 51 ALA C C 51 178.660 178.660 178.099 0.561 19311 952 1 2 . 1 1 51 51 ALA CA C 51 53.718 53.718 54.449 -0.731 19311 953 1 2 . 1 1 51 51 ALA CB C 51 18.193 18.193 19.372 -1.179 19311 954 1 2 . 1 1 51 51 ALA H H 51 7.677 7.677 7.937 -0.260 19311 955 1 2 . 1 1 52 52 LEU N N 52 116.642 116.642 118.493 -1.851 19311 956 1 2 . 1 1 52 52 LEU CA C 52 51.307 51.307 51.937 -0.630 19311 957 1 2 . 1 1 52 52 LEU CB C 52 42.099 42.099 42.313 -0.214 19311 958 1 2 . 1 1 52 52 LEU H H 52 6.992 6.992 7.740 -0.748 19311 959 1 2 . 1 1 53 53 PRO C C 53 177.594 177.594 177.927 -0.333 19311 960 1 2 . 1 1 53 53 PRO CA C 53 65.466 65.466 64.656 0.810 19311 961 1 2 . 1 1 53 53 PRO CB C 53 31.761 31.761 31.938 -0.177 19311 962 1 2 . 1 1 54 54 HIS N N 54 112.752 112.752 112.829 -0.077 19311 963 1 2 . 1 1 54 54 HIS C C 54 175.187 175.187 174.530 0.657 19311 964 1 2 . 1 1 54 54 HIS CA C 54 57.695 57.695 57.263 0.432 19311 965 1 2 . 1 1 54 54 HIS CB C 54 28.716 28.716 28.614 0.102 19311 966 1 2 . 1 1 54 54 HIS H H 54 8.274 8.274 8.569 -0.295 19311 967 1 2 . 1 1 55 55 MET N N 55 116.326 116.326 118.074 -1.748 19311 968 1 2 . 1 1 55 55 MET C C 55 175.522 175.522 175.761 -0.239 19311 969 1 2 . 1 1 55 55 MET CA C 55 53.185 53.185 54.222 -1.038 19311 970 1 2 . 1 1 55 55 MET CB C 55 32.240 32.240 32.401 -0.161 19311 971 1 2 . 1 1 55 55 MET H H 55 7.254 7.254 7.317 -0.063 19311 972 1 2 . 1 1 56 56 SER N N 56 116.685 116.685 116.781 -0.096 19311 973 1 2 . 1 1 56 56 SER CA C 56 54.269 54.269 54.244 0.025 19311 974 1 2 . 1 1 56 56 SER CB C 56 63.227 63.227 64.394 -1.167 19311 975 1 2 . 1 1 56 56 SER H H 56 7.038 7.038 7.359 -0.321 19311 976 1 2 . 1 1 57 57 PRO C C 57 178.714 178.714 177.926 0.788 19311 977 1 2 . 1 1 57 57 PRO CA C 57 64.333 64.333 65.474 -1.141 19311 978 1 2 . 1 1 57 57 PRO CB C 57 31.044 31.044 31.805 -0.760 19311 979 1 2 . 1 1 58 58 THR N N 58 115.440 115.440 108.642 6.798 19311 980 1 2 . 1 1 58 58 THR C C 58 175.811 175.811 174.891 0.920 19311 981 1 2 . 1 1 58 58 THR CA C 58 65.411 65.411 64.320 1.091 19311 982 1 2 . 1 1 58 58 THR CB C 58 68.208 68.208 68.239 -0.031 19311 983 1 2 . 1 1 58 58 THR H H 58 7.560 7.560 7.722 -0.162 19311 984 1 2 . 1 1 59 59 ILE N N 59 122.823 122.823 118.891 3.932 19311 985 1 2 . 1 1 59 59 ILE C C 59 176.672 176.672 177.497 -0.825 19311 986 1 2 . 1 1 59 59 ILE CA C 59 64.230 64.230 62.692 1.538 19311 987 1 2 . 1 1 59 59 ILE CB C 59 37.283 37.283 38.785 -1.502 19311 988 1 2 . 1 1 59 59 ILE H H 59 7.182 7.182 7.426 -0.244 19311 989 1 2 . 1 1 60 60 LEU N N 60 113.853 113.853 120.181 -6.328 19311 990 1 2 . 1 1 60 60 LEU C C 60 179.288 179.288 177.400 1.888 19311 991 1 2 . 1 1 60 60 LEU CA C 60 56.589 56.589 57.743 -1.155 19311 992 1 2 . 1 1 60 60 LEU CB C 60 40.734 40.734 41.863 -1.129 19311 993 1 2 . 1 1 60 60 LEU H H 60 7.894 7.894 8.082 -0.188 19311 994 1 2 . 1 1 61 61 THR N N 61 107.267 107.267 105.917 1.350 19311 995 1 2 . 1 1 61 61 THR C C 61 173.987 173.987 174.459 -0.472 19311 996 1 2 . 1 1 61 61 THR CA C 61 61.516 61.516 61.272 0.244 19311 997 1 2 . 1 1 61 61 THR CB C 61 69.919 69.919 68.941 0.978 19311 998 1 2 . 1 1 61 61 THR H H 61 7.427 7.427 7.667 -0.240 19311 999 1 2 . 1 1 62 62 ASN N N 62 121.377 121.377 121.360 0.017 19311 1000 1 2 . 1 1 62 62 ASN CA C 62 49.977 49.977 50.590 -0.613 19311 1001 1 2 . 1 1 62 62 ASN CB C 62 39.885 39.885 39.841 0.044 19311 1002 1 2 . 1 1 62 62 ASN H H 62 7.368 7.368 7.704 -0.336 19311 1003 1 2 . 1 1 63 63 PRO C C 63 176.868 176.868 178.032 -1.164 19311 1004 1 2 . 1 1 63 63 PRO CA C 63 64.130 64.130 65.394 -1.264 19311 1005 1 2 . 1 1 63 63 PRO CB C 63 32.275 32.275 32.294 -0.019 19311 1006 1 2 . 1 1 64 64 CYS N N 64 113.208 113.208 114.250 -1.042 19311 1007 1 2 . 1 1 64 64 CYS C C 64 170.205 170.205 175.234 -5.029 19311 1008 1 2 . 1 1 64 64 CYS CA C 64 56.943 56.943 60.734 -3.791 19311 1009 1 2 . 1 1 64 64 CYS CB C 64 26.242 26.242 26.911 -0.669 19311 1010 1 2 . 1 1 64 64 CYS H H 64 7.072 7.072 8.268 -1.196 19311 1011 1 2 . 1 1 65 65 HIS N N 65 108.987 108.987 114.772 -5.785 19311 1012 1 2 . 1 1 65 65 HIS C C 65 174.303 174.303 174.078 0.225 19311 1013 1 2 . 1 1 65 65 HIS CA C 65 56.141 56.141 57.436 -1.295 19311 1014 1 2 . 1 1 65 65 HIS CB C 65 28.565 28.565 30.156 -1.591 19311 1015 1 2 . 1 1 65 65 HIS H H 65 6.651 6.651 7.295 -0.644 19311 1016 1 2 . 1 1 66 66 PHE N N 66 116.823 116.823 120.495 -3.672 19311 1017 1 2 . 1 1 66 66 PHE C C 66 174.308 174.308 174.126 0.182 19311 1018 1 2 . 1 1 66 66 PHE CA C 66 56.990 56.990 57.897 -0.907 19311 1019 1 2 . 1 1 66 66 PHE CB C 66 41.535 41.535 40.121 1.414 19311 1020 1 2 . 1 1 66 66 PHE H H 66 7.548 7.548 7.627 -0.079 19311 1021 1 2 . 1 1 67 67 ALA N N 67 119.242 119.242 124.875 -5.633 19311 1022 1 2 . 1 1 67 67 ALA C C 67 175.495 175.495 175.274 0.221 19311 1023 1 2 . 1 1 67 67 ALA CA C 67 50.842 50.842 51.254 -0.412 19311 1024 1 2 . 1 1 67 67 ALA CB C 67 24.144 24.144 22.994 1.150 19311 1025 1 2 . 1 1 67 67 ALA H H 67 8.646 8.646 9.174 -0.528 19311 1026 1 2 . 1 1 68 68 LYS N N 68 118.338 118.338 122.865 -4.527 19311 1027 1 2 . 1 1 68 68 LYS C C 68 176.011 176.011 175.699 0.312 19311 1028 1 2 . 1 1 68 68 LYS CA C 68 54.557 54.557 54.441 0.115 19311 1029 1 2 . 1 1 68 68 LYS CB C 68 34.575 34.575 34.900 -0.325 19311 1030 1 2 . 1 1 68 68 LYS H H 68 8.373 8.373 8.297 0.076 19311 1031 1 2 . 1 1 69 69 ILE N N 69 126.321 126.321 127.027 -0.706 19311 1032 1 2 . 1 1 69 69 ILE C C 69 176.711 176.711 176.710 0.001 19311 1033 1 2 . 1 1 69 69 ILE CA C 69 61.581 61.581 62.343 -0.761 19311 1034 1 2 . 1 1 69 69 ILE CB C 69 37.161 37.161 37.890 -0.729 19311 1035 1 2 . 1 1 69 69 ILE H H 69 9.660 9.660 9.083 0.577 19311 1036 1 2 . 1 1 70 70 THR N N 70 118.154 118.154 119.401 -1.247 19311 1037 1 2 . 1 1 70 70 THR C C 70 175.076 175.076 174.725 0.351 19311 1038 1 2 . 1 1 70 70 THR CA C 70 60.883 60.883 61.800 -0.917 19311 1039 1 2 . 1 1 70 70 THR CB C 70 68.643 68.643 70.500 -1.857 19311 1040 1 2 . 1 1 70 70 THR H H 70 8.785 8.785 8.677 0.108 19311 1041 1 2 . 1 1 71 71 LYS N N 71 122.877 122.877 119.910 2.967 19311 1042 1 2 . 1 1 71 71 LYS C C 71 173.355 173.355 173.259 0.096 19311 1043 1 2 . 1 1 71 71 LYS CA C 71 56.459 56.459 56.170 0.289 19311 1044 1 2 . 1 1 71 71 LYS CB C 71 34.142 34.142 34.217 -0.075 19311 1045 1 2 . 1 1 71 71 LYS H H 71 7.088 7.088 7.189 -0.101 19311 1046 1 2 . 1 1 72 72 PHE N N 72 122.143 122.143 122.284 -0.141 19311 1047 1 2 . 1 1 72 72 PHE C C 72 175.071 175.071 175.673 -0.602 19311 1048 1 2 . 1 1 72 72 PHE CA C 72 57.980 57.980 58.228 -0.248 19311 1049 1 2 . 1 1 72 72 PHE CB C 72 39.359 39.359 40.329 -0.970 19311 1050 1 2 . 1 1 72 72 PHE H H 72 8.530 8.530 8.720 -0.190 19311 1051 1 2 . 1 1 73 73 TYR N N 73 123.208 123.208 120.813 2.395 19311 1052 1 2 . 1 1 73 73 TYR C C 73 176.295 176.295 175.270 1.025 19311 1053 1 2 . 1 1 73 73 TYR CA C 73 60.464 60.464 59.031 1.433 19311 1054 1 2 . 1 1 73 73 TYR CB C 73 39.634 39.634 40.192 -0.558 19311 1055 1 2 . 1 1 73 73 TYR H H 73 9.437 9.437 9.029 0.408 19311 1056 1 2 . 1 1 74 74 ASN N N 74 113.786 113.786 118.816 -5.030 19311 1057 1 2 . 1 1 74 74 ASN C C 74 172.652 172.652 173.358 -0.706 19311 1058 1 2 . 1 1 74 74 ASN CA C 74 52.675 52.675 53.343 -0.668 19311 1059 1 2 . 1 1 74 74 ASN CB C 74 39.801 39.801 39.641 0.160 19311 1060 1 2 . 1 1 74 74 ASN H H 74 7.993 7.993 8.352 -0.359 19311 1061 1 2 . 1 1 75 75 VAL N N 75 124.913 124.913 124.305 0.608 19311 1062 1 2 . 1 1 75 75 VAL C C 75 175.179 175.179 175.537 -0.358 19311 1063 1 2 . 1 1 75 75 VAL CA C 75 61.422 61.422 62.677 -1.255 19311 1064 1 2 . 1 1 75 75 VAL CB C 75 33.185 33.185 32.322 0.863 19311 1065 1 2 . 1 1 75 75 VAL H H 75 7.721 7.721 8.396 -0.675 19311 1066 1 2 . 1 1 76 76 CYS N N 76 125.698 125.698 126.254 -0.556 19311 1067 1 2 . 1 1 76 76 CYS CA C 76 57.694 57.694 56.319 1.375 19311 1068 1 2 . 1 1 76 76 CYS CB C 76 27.993 27.993 32.189 -4.196 19311 1069 1 2 . 1 1 76 76 CYS H H 76 8.677 8.677 7.920 0.757 19311 1070 1 2 . 1 1 78 78 TYR N N 78 109.730 109.730 116.903 -7.173 19311 1071 1 2 . 1 1 78 78 TYR C C 78 173.592 173.592 174.075 -0.483 19311 1072 1 2 . 1 1 78 78 TYR CA C 78 60.078 60.078 59.719 0.359 19311 1073 1 2 . 1 1 78 78 TYR CB C 78 35.627 35.627 35.278 0.349 19311 1074 1 2 . 1 1 78 78 TYR H H 78 8.215 8.215 8.317 -0.102 19311 1075 1 2 . 1 1 79 79 LYS N N 79 119.181 119.181 118.448 0.733 19311 1076 1 2 . 1 1 79 79 LYS C C 79 175.198 175.198 174.796 0.402 19311 1077 1 2 . 1 1 79 79 LYS CA C 79 55.243 55.243 55.452 -0.209 19311 1078 1 2 . 1 1 79 79 LYS CB C 79 33.522 33.522 33.956 -0.434 19311 1079 1 2 . 1 1 79 79 LYS H H 79 7.695 7.695 7.624 0.071 19311 1080 1 2 . 1 1 80 80 VAL N N 80 118.700 118.700 121.943 -3.243 19311 1081 1 2 . 1 1 80 80 VAL C C 80 172.953 172.953 174.756 -1.803 19311 1082 1 2 . 1 1 80 80 VAL CA C 80 61.093 61.093 61.230 -0.137 19311 1083 1 2 . 1 1 80 80 VAL CB C 80 34.048 34.048 33.697 0.351 19311 1084 1 2 . 1 1 80 80 VAL H H 80 7.478 7.478 7.596 -0.118 19311 1085 1 2 . 1 1 81 81 TYR N N 81 128.065 128.065 126.561 1.504 19311 1086 1 2 . 1 1 81 81 TYR C C 81 175.948 175.948 174.810 1.138 19311 1087 1 2 . 1 1 81 81 TYR CA C 81 57.836 57.836 56.513 1.323 19311 1088 1 2 . 1 1 81 81 TYR CB C 81 37.594 37.594 40.181 -2.587 19311 1089 1 2 . 1 1 81 81 TYR H H 81 8.851 8.851 9.114 -0.263 19311 1090 1 2 . 1 1 82 82 ALA N N 82 130.227 130.227 126.220 4.007 19311 1091 1 2 . 1 1 82 82 ALA C C 82 174.291 174.291 175.294 -1.003 19311 1092 1 2 . 1 1 82 82 ALA CA C 82 51.702 51.702 51.147 0.555 19311 1093 1 2 . 1 1 82 82 ALA CB C 82 24.004 24.004 22.604 1.400 19311 1094 1 2 . 1 1 82 82 ALA H H 82 9.673 9.673 9.392 0.281 19311 1095 1 2 . 1 1 83 83 SER N N 83 112.455 112.455 112.701 -0.246 19311 1096 1 2 . 1 1 83 83 SER C C 83 175.055 175.055 173.704 1.351 19311 1097 1 2 . 1 1 83 83 SER CA C 83 56.656 56.656 57.032 -0.376 19311 1098 1 2 . 1 1 83 83 SER CB C 83 65.405 65.405 66.308 -0.903 19311 1099 1 2 . 1 1 83 83 SER H H 83 8.975 8.975 8.654 0.321 19311 1100 1 2 . 1 1 84 84 ILE N N 84 115.288 115.288 114.900 0.388 19311 1101 1 2 . 1 1 84 84 ILE C C 84 173.569 173.569 173.945 -0.376 19311 1102 1 2 . 1 1 84 84 ILE CA C 84 57.822 57.822 58.859 -1.037 19311 1103 1 2 . 1 1 84 84 ILE CB C 84 41.310 41.310 42.521 -1.211 19311 1104 1 2 . 1 1 84 84 ILE H H 84 8.657 8.657 9.081 -0.424 19311 1105 1 2 . 1 1 85 85 ARG N N 85 116.138 116.138 121.563 -5.425 19311 1106 1 2 . 1 1 85 85 ARG C C 85 174.594 174.594 175.095 -0.501 19311 1107 1 2 . 1 1 85 85 ARG CA C 85 52.721 52.721 54.320 -1.599 19311 1108 1 2 . 1 1 85 85 ARG CB C 85 33.188 33.188 34.588 -1.400 19311 1109 1 2 . 1 1 85 85 ARG H H 85 9.306 9.306 8.842 0.464 19311 1110 1 2 . 1 1 86 86 ASP N N 86 121.622 121.622 125.500 -3.878 19311 1111 1 2 . 1 1 86 86 ASP C C 86 175.804 175.804 175.841 -0.037 19311 1112 1 2 . 1 1 86 86 ASP CA C 86 51.666 51.666 52.762 -1.096 19311 1113 1 2 . 1 1 86 86 ASP CB C 86 38.969 38.969 41.895 -2.925 19311 1114 1 2 . 1 1 86 86 ASP H H 86 7.506 7.506 8.608 -1.102 19311 1115 1 2 . 1 1 87 87 SER N N 87 109.487 109.487 113.942 -4.455 19311 1116 1 2 . 1 1 87 87 SER C C 87 174.343 174.343 175.969 -1.626 19311 1117 1 2 . 1 1 87 87 SER CA C 87 59.775 59.775 60.830 -1.055 19311 1118 1 2 . 1 1 87 87 SER CB C 87 62.824 62.824 63.915 -1.091 19311 1119 1 2 . 1 1 87 87 SER H H 87 6.452 6.452 8.660 -2.208 19311 1120 1 2 . 1 1 88 88 SER N N 88 117.714 117.714 113.121 4.593 19311 1121 1 2 . 1 1 88 88 SER C C 88 172.322 172.322 173.911 -1.589 19311 1122 1 2 . 1 1 88 88 SER CA C 88 60.625 60.625 58.342 2.283 19311 1123 1 2 . 1 1 88 88 SER CB C 88 66.392 66.392 64.164 2.228 19311 1124 1 2 . 1 1 88 88 SER H H 88 8.852 8.852 8.336 0.516 19311 1125 1 2 . 1 1 89 89 HIS N N 89 121.987 121.987 117.615 4.372 19311 1126 1 2 . 1 1 89 89 HIS C C 89 173.253 173.253 173.064 0.189 19311 1127 1 2 . 1 1 89 89 HIS CA C 89 55.530 55.530 55.573 -0.043 19311 1128 1 2 . 1 1 89 89 HIS CB C 89 36.622 36.622 33.328 3.294 19311 1129 1 2 . 1 1 89 89 HIS H H 89 9.568 9.568 8.879 0.689 19311 1130 1 2 . 1 1 90 90 GLN N N 90 112.816 112.816 119.568 -6.752 19311 1131 1 2 . 1 1 90 90 GLN C C 90 175.640 175.640 173.701 1.939 19311 1132 1 2 . 1 1 90 90 GLN CA C 90 53.060 53.060 53.705 -0.645 19311 1133 1 2 . 1 1 90 90 GLN CB C 90 32.977 32.977 31.949 1.028 19311 1134 1 2 . 1 1 90 90 GLN H H 90 7.942 7.942 8.237 -0.295 19311 1135 1 2 . 1 1 91 91 ILE N N 91 119.354 119.354 123.357 -4.003 19311 1136 1 2 . 1 1 91 91 ILE C C 91 172.309 172.309 173.738 -1.429 19311 1137 1 2 . 1 1 91 91 ILE CA C 91 61.019 61.019 59.195 1.824 19311 1138 1 2 . 1 1 91 91 ILE CB C 91 41.077 41.077 42.497 -1.420 19311 1139 1 2 . 1 1 91 91 ILE H H 91 8.937 8.937 8.848 0.089 19311 1140 1 2 . 1 1 92 92 LEU N N 92 125.414 125.414 127.835 -2.421 19311 1141 1 2 . 1 1 92 92 LEU C C 92 175.848 175.848 175.651 0.197 19311 1142 1 2 . 1 1 92 92 LEU CA C 92 55.084 55.084 55.695 -0.611 19311 1143 1 2 . 1 1 92 92 LEU CB C 92 40.637 40.637 42.034 -1.397 19311 1144 1 2 . 1 1 92 92 LEU H H 92 7.192 7.192 8.548 -1.356 19311 1145 1 2 . 1 1 93 93 VAL N N 93 116.666 116.666 120.439 -3.773 19311 1146 1 2 . 1 1 93 93 VAL C C 93 173.013 173.013 173.615 -0.602 19311 1147 1 2 . 1 1 93 93 VAL CA C 93 58.637 58.637 59.349 -0.712 19311 1148 1 2 . 1 1 93 93 VAL CB C 93 35.844 35.844 35.711 0.133 19311 1149 1 2 . 1 1 93 93 VAL H H 93 9.225 9.225 9.166 0.059 19311 1150 1 2 . 1 1 94 94 GLU N N 94 124.248 124.248 126.978 -2.730 19311 1151 1 2 . 1 1 94 94 GLU CA C 94 53.418 53.418 53.505 -0.087 19311 1152 1 2 . 1 1 94 94 GLU CB C 94 32.133 32.133 33.615 -1.482 19311 1153 1 2 . 1 1 94 94 GLU H H 94 8.549 8.549 8.837 -0.288 19311 1154 1 2 . 1 1 95 95 PHE C C 95 175.472 175.472 176.136 -0.664 19311 1155 1 2 . 1 1 95 95 PHE CA C 95 56.710 56.710 56.891 -0.181 19311 1156 1 2 . 1 1 95 95 PHE CB C 95 38.774 38.774 40.280 -1.506 19311 1157 1 2 . 1 1 96 96 SER N N 96 119.651 119.651 119.630 0.021 19311 1158 1 2 . 1 1 96 96 SER C C 96 173.024 173.024 176.192 -3.168 19311 1159 1 2 . 1 1 96 96 SER CA C 96 57.233 57.233 57.938 -0.704 19311 1160 1 2 . 1 1 96 96 SER CB C 96 65.249 65.249 65.470 -0.221 19311 1161 1 2 . 1 1 96 96 SER H H 96 8.203 8.203 8.657 -0.454 19311 1162 1 2 . 1 1 97 97 GLN N N 97 120.894 120.894 121.148 -0.254 19311 1163 1 2 . 1 1 97 97 GLN C C 97 179.424 179.424 177.915 1.509 19311 1164 1 2 . 1 1 97 97 GLN CA C 97 58.799 58.799 59.421 -0.622 19311 1165 1 2 . 1 1 97 97 GLN CB C 97 26.863 26.863 27.815 -0.952 19311 1166 1 2 . 1 1 97 97 GLN H H 97 8.949 8.949 9.090 -0.141 19311 1167 1 2 . 1 1 98 98 GLU N N 98 121.467 121.467 120.830 0.637 19311 1168 1 2 . 1 1 98 98 GLU C C 98 177.401 177.401 178.994 -1.593 19311 1169 1 2 . 1 1 98 98 GLU CA C 98 59.056 59.056 59.142 -0.086 19311 1170 1 2 . 1 1 98 98 GLU CB C 98 28.654 28.654 28.940 -0.286 19311 1171 1 2 . 1 1 98 98 GLU H H 98 8.759 8.759 8.473 0.286 19311 1172 1 2 . 1 1 99 99 CYS N N 99 122.363 122.363 119.210 3.153 19311 1173 1 2 . 1 1 99 99 CYS C C 99 178.667 178.667 177.517 1.150 19311 1174 1 2 . 1 1 99 99 CYS CA C 99 61.683 61.683 64.188 -2.505 19311 1175 1 2 . 1 1 99 99 CYS CB C 99 27.002 27.002 27.913 -0.910 19311 1176 1 2 . 1 1 99 99 CYS H H 99 8.194 8.194 7.796 0.398 19311 1177 1 2 . 1 1 100 100 VAL N N 100 120.067 120.067 119.699 0.368 19311 1178 1 2 . 1 1 100 100 VAL C C 100 178.191 178.191 178.048 0.143 19311 1179 1 2 . 1 1 100 100 VAL CA C 100 66.503 66.503 67.011 -0.508 19311 1180 1 2 . 1 1 100 100 VAL CB C 100 31.299 31.299 31.753 -0.454 19311 1181 1 2 . 1 1 100 100 VAL H H 100 8.584 8.584 8.183 0.401 19311 1182 1 2 . 1 1 101 101 SER N N 101 117.155 117.155 115.588 1.567 19311 1183 1 2 . 1 1 101 101 SER C C 101 177.930 177.930 176.998 0.932 19311 1184 1 2 . 1 1 101 101 SER CA C 101 61.182 61.182 61.279 -0.097 19311 1185 1 2 . 1 1 101 101 SER CB C 101 62.112 62.112 63.203 -1.091 19311 1186 1 2 . 1 1 101 101 SER H H 101 8.685 8.685 8.757 -0.072 19311 1187 1 2 . 1 1 102 102 ASN N N 102 120.931 120.931 121.909 -0.978 19311 1188 1 2 . 1 1 102 102 ASN C C 102 178.047 178.047 177.679 0.368 19311 1189 1 2 . 1 1 102 102 ASN CA C 102 56.108 56.108 55.806 0.302 19311 1190 1 2 . 1 1 102 102 ASN CB C 102 37.456 37.456 37.709 -0.253 19311 1191 1 2 . 1 1 102 102 ASN H H 102 8.638 8.638 8.205 0.433 19311 1192 1 2 . 1 1 103 103 PHE N N 103 124.907 124.907 118.974 5.933 19311 1193 1 2 . 1 1 103 103 PHE C C 103 177.886 177.886 177.995 -0.109 19311 1194 1 2 . 1 1 103 103 PHE CA C 103 61.734 61.734 61.812 -0.078 19311 1195 1 2 . 1 1 103 103 PHE CB C 103 38.976 38.976 38.334 0.642 19311 1196 1 2 . 1 1 103 103 PHE H H 103 8.495 8.495 7.869 0.626 19311 1197 1 2 . 1 1 104 104 GLU N N 104 120.930 120.930 120.072 0.858 19311 1198 1 2 . 1 1 104 104 GLU C C 104 180.036 180.036 179.382 0.654 19311 1199 1 2 . 1 1 104 104 GLU CA C 104 59.070 59.070 59.404 -0.334 19311 1200 1 2 . 1 1 104 104 GLU CB C 104 28.323 28.323 29.736 -1.413 19311 1201 1 2 . 1 1 104 104 GLU H H 104 8.614 8.614 8.244 0.370 19311 1202 1 2 . 1 1 105 105 ARG N N 105 119.201 119.201 118.363 0.838 19311 1203 1 2 . 1 1 105 105 ARG C C 105 178.097 178.097 178.513 -0.416 19311 1204 1 2 . 1 1 105 105 ARG CA C 105 58.179 58.179 58.618 -0.439 19311 1205 1 2 . 1 1 105 105 ARG CB C 105 29.305 29.305 30.624 -1.319 19311 1206 1 2 . 1 1 105 105 ARG H H 105 7.976 7.976 8.323 -0.347 19311 1207 1 2 . 1 1 106 106 THR N N 106 114.725 114.725 113.496 1.229 19311 1208 1 2 . 1 1 106 106 THR C C 106 175.323 175.323 175.981 -0.658 19311 1209 1 2 . 1 1 106 106 THR CA C 106 65.164 65.164 65.568 -0.404 19311 1210 1 2 . 1 1 106 106 THR CB C 106 68.964 68.964 68.918 0.046 19311 1211 1 2 . 1 1 106 106 THR H H 106 7.744 7.744 8.008 -0.264 19311 1212 1 2 . 1 1 107 107 HIS N N 107 116.911 116.911 116.642 0.269 19311 1213 1 2 . 1 1 107 107 HIS C C 107 174.769 174.769 174.605 0.164 19311 1214 1 2 . 1 1 107 107 HIS CA C 107 56.636 56.636 57.021 -0.385 19311 1215 1 2 . 1 1 107 107 HIS CB C 107 29.833 29.833 30.615 -0.782 19311 1216 1 2 . 1 1 107 107 HIS H H 107 8.033 8.033 7.529 0.504 19311 1217 1 2 . 1 1 108 108 ASN N N 108 118.204 118.204 116.062 2.142 19311 1218 1 2 . 1 1 108 108 ASN C C 108 173.328 173.328 174.717 -1.389 19311 1219 1 2 . 1 1 108 108 ASN CA C 108 53.859 53.859 54.630 -0.771 19311 1220 1 2 . 1 1 108 108 ASN CB C 108 36.623 36.623 36.115 0.508 19311 1221 1 2 . 1 1 108 108 ASN H H 108 8.135 8.135 8.548 -0.413 19311 1222 1 2 . 1 1 109 109 CYS N N 109 111.643 111.643 114.404 -2.761 19311 1223 1 2 . 1 1 109 109 CYS C C 109 171.934 171.934 173.286 -1.352 19311 1224 1 2 . 1 1 109 109 CYS CA C 109 55.233 55.233 56.148 -0.915 19311 1225 1 2 . 1 1 109 109 CYS CB C 109 29.518 29.518 30.259 -0.741 19311 1226 1 2 . 1 1 109 109 CYS H H 109 7.493 7.493 8.524 -1.031 19311 1227 1 2 . 1 1 110 110 ARG N N 110 117.680 117.680 120.380 -2.700 19311 1228 1 2 . 1 1 110 110 ARG C C 110 179.018 179.018 177.582 1.436 19311 1229 1 2 . 1 1 110 110 ARG CA C 110 54.914 54.914 55.392 -0.478 19311 1230 1 2 . 1 1 110 110 ARG CB C 110 30.252 30.252 30.834 -0.582 19311 1231 1 2 . 1 1 110 110 ARG H H 110 8.271 8.271 8.259 0.012 19311 1232 1 2 . 1 1 111 111 ILE N N 111 124.684 124.684 121.449 3.235 19311 1233 1 2 . 1 1 111 111 ILE CA C 111 63.115 63.115 63.377 -0.262 19311 1234 1 2 . 1 1 111 111 ILE CB C 111 37.530 37.530 37.631 -0.101 19311 1235 1 2 . 1 1 111 111 ILE H H 111 9.551 9.551 8.457 1.094 19311 1236 1 2 . 1 1 112 112 THR N N 112 106.975 106.975 108.079 -1.104 19311 1237 1 2 . 1 1 112 112 THR C C 112 175.160 175.160 174.535 0.625 19311 1238 1 2 . 1 1 112 112 THR CA C 112 60.029 60.029 62.094 -2.066 19311 1239 1 2 . 1 1 112 112 THR CB C 112 67.949 67.949 67.931 0.018 19311 1240 1 2 . 1 1 112 112 THR H H 112 6.484 6.484 7.519 -1.035 19311 1241 1 2 . 1 1 113 113 SER N N 113 118.281 118.281 116.264 2.017 19311 1242 1 2 . 1 1 113 113 SER C C 113 173.813 173.813 173.918 -0.105 19311 1243 1 2 . 1 1 113 113 SER CA C 113 58.470 58.470 57.636 0.834 19311 1244 1 2 . 1 1 113 113 SER CB C 113 62.730 62.730 63.494 -0.764 19311 1245 1 2 . 1 1 113 113 SER H H 113 7.446 7.446 7.380 0.066 19311 1246 1 2 . 1 1 114 114 GLU N N 114 121.273 121.273 121.443 -0.170 19311 1247 1 2 . 1 1 114 114 GLU CA C 114 56.911 56.911 57.711 -0.800 19311 1248 1 2 . 1 1 114 114 GLU CB C 114 27.463 27.463 27.683 -0.220 19311 1249 1 2 . 1 1 114 114 GLU H H 114 8.350 8.350 8.805 -0.455 19311 1250 1 2 . 1 1 115 115 THR N N 115 109.184 109.184 112.007 -2.823 19311 1251 1 2 . 1 1 115 115 THR C C 115 177.031 177.031 176.187 0.844 19311 1252 1 2 . 1 1 115 115 THR CA C 115 61.908 61.908 64.339 -2.431 19311 1253 1 2 . 1 1 115 115 THR CB C 115 69.072 69.072 70.002 -0.930 19311 1254 1 2 . 1 1 115 115 THR H H 115 7.689 7.689 8.141 -0.452 19311 1255 1 2 . 1 1 116 116 THR N N 116 115.339 115.339 119.053 -3.714 19311 1256 1 2 . 1 1 116 116 THR C C 116 175.023 175.023 175.022 0.001 19311 1257 1 2 . 1 1 116 116 THR CA C 116 63.834 63.834 67.190 -3.356 19311 1258 1 2 . 1 1 116 116 THR CB C 116 68.130 68.130 68.755 -0.626 19311 1259 1 2 . 1 1 116 116 THR H H 116 7.979 7.979 8.597 -0.618 19311 1260 1 2 . 1 1 117 117 ASN N N 117 118.558 118.558 116.612 1.946 19311 1261 1 2 . 1 1 117 117 ASN C C 117 174.413 174.413 173.979 0.434 19311 1262 1 2 . 1 1 117 117 ASN CA C 117 53.549 53.549 52.681 0.868 19311 1263 1 2 . 1 1 117 117 ASN CB C 117 37.548 37.548 38.405 -0.857 19311 1264 1 2 . 1 1 117 117 ASN H H 117 8.295 8.295 8.400 -0.105 19311 1265 1 2 . 1 1 118 118 CYS N N 118 116.611 116.611 116.634 -0.023 19311 1266 1 2 . 1 1 118 118 CYS C C 118 174.430 174.430 173.345 1.085 19311 1267 1 2 . 1 1 118 118 CYS CA C 118 58.206 58.206 57.625 0.581 19311 1268 1 2 . 1 1 118 118 CYS CB C 118 28.866 28.866 31.737 -2.871 19311 1269 1 2 . 1 1 118 118 CYS H H 118 7.548 7.548 7.825 -0.277 19311 1270 1 2 . 1 1 119 119 LEU N N 119 125.613 125.613 122.928 2.685 19311 1271 1 2 . 1 1 119 119 LEU C C 119 174.612 174.612 174.805 -0.193 19311 1272 1 2 . 1 1 119 119 LEU CA C 119 54.869 54.869 54.115 0.753 19311 1273 1 2 . 1 1 119 119 LEU CB C 119 42.394 42.394 45.875 -3.481 19311 1274 1 2 . 1 1 119 119 LEU H H 119 8.840 8.840 9.191 -0.350 19311 1275 1 2 . 1 1 120 120 MET N N 120 128.079 128.079 126.500 1.579 19311 1276 1 2 . 1 1 120 120 MET C C 120 174.384 174.384 174.443 -0.059 19311 1277 1 2 . 1 1 120 120 MET CA C 120 53.292 53.292 55.056 -1.764 19311 1278 1 2 . 1 1 120 120 MET H H 120 9.274 9.274 8.426 0.848 19311 1279 1 2 . 1 1 121 121 ILE N N 121 120.093 120.093 125.672 -5.579 19311 1280 1 2 . 1 1 121 121 ILE C C 121 176.479 176.479 175.419 1.060 19311 1281 1 2 . 1 1 121 121 ILE CA C 121 55.536 55.536 58.273 -2.737 19311 1282 1 2 . 1 1 121 121 ILE CB C 121 36.335 36.335 38.818 -2.482 19311 1283 1 2 . 1 1 121 121 ILE H H 121 8.527 8.527 9.161 -0.634 19311 1284 1 2 . 1 1 122 122 ILE N N 122 119.127 119.127 121.668 -2.541 19311 1285 1 2 . 1 1 122 122 ILE C C 122 174.904 174.904 174.767 0.137 19311 1286 1 2 . 1 1 122 122 ILE CA C 122 57.790 57.790 58.444 -0.654 19311 1287 1 2 . 1 1 122 122 ILE CB C 122 41.605 41.605 41.456 0.149 19311 1288 1 2 . 1 1 122 122 ILE H H 122 8.913 8.913 8.918 -0.005 19311 1289 1 2 . 1 1 123 123 GLY N N 123 106.647 106.647 109.066 -2.419 19311 1290 1 2 . 1 1 123 123 GLY C C 123 170.571 170.571 172.196 -1.625 19311 1291 1 2 . 1 1 123 123 GLY CA C 123 43.698 43.698 44.896 -1.198 19311 1292 1 2 . 1 1 123 123 GLY H H 123 8.373 8.373 8.828 -0.455 19311 1293 1 2 . 1 1 124 124 ASP N N 124 119.021 119.021 120.464 -1.443 19311 1294 1 2 . 1 1 124 124 ASP C C 124 174.481 174.481 174.168 0.313 19311 1295 1 2 . 1 1 124 124 ASP CA C 124 53.993 53.993 54.994 -1.001 19311 1296 1 2 . 1 1 124 124 ASP CB C 124 39.163 39.163 40.078 -0.915 19311 1297 1 2 . 1 1 124 124 ASP H H 124 7.712 7.712 8.385 -0.673 19311 1298 1 2 . 1 1 125 125 ALA N N 125 122.997 122.997 123.728 -0.731 19311 1299 1 2 . 1 1 125 125 ALA C C 125 175.798 175.798 175.268 0.530 19311 1300 1 2 . 1 1 125 125 ALA CA C 125 49.258 49.258 50.489 -1.231 19311 1301 1 2 . 1 1 125 125 ALA CB C 125 23.466 23.466 23.463 0.003 19311 1302 1 2 . 1 1 125 125 ALA H H 125 8.502 8.502 7.676 0.826 19311 1303 1 2 . 1 1 126 126 ASP N N 126 121.643 121.643 123.007 -1.364 19311 1304 1 2 . 1 1 126 126 ASP C C 126 174.129 174.129 174.569 -0.440 19311 1305 1 2 . 1 1 126 126 ASP CA C 126 51.984 51.984 52.712 -0.728 19311 1306 1 2 . 1 1 126 126 ASP CB C 126 43.380 43.380 44.730 -1.350 19311 1307 1 2 . 1 1 126 126 ASP H H 126 8.656 8.656 8.723 -0.067 19311 1308 1 2 . 1 1 127 127 LEU N N 127 124.869 124.869 127.784 -2.915 19311 1309 1 2 . 1 1 127 127 LEU C C 127 175.007 175.007 174.895 0.112 19311 1310 1 2 . 1 1 127 127 LEU CA C 127 53.944 53.944 54.108 -0.163 19311 1311 1 2 . 1 1 127 127 LEU CB C 127 43.759 43.759 43.355 0.404 19311 1312 1 2 . 1 1 127 127 LEU H H 127 8.886 8.886 8.086 0.800 19311 1313 1 2 . 1 1 128 128 VAL N N 128 122.817 122.817 120.529 2.288 19311 1314 1 2 . 1 1 128 128 VAL C C 128 173.242 173.242 173.683 -0.441 19311 1315 1 2 . 1 1 128 128 VAL CA C 128 58.875 58.875 59.633 -0.758 19311 1316 1 2 . 1 1 128 128 VAL CB C 128 34.062 34.062 35.347 -1.286 19311 1317 1 2 . 1 1 128 128 VAL H H 128 8.737 8.737 8.953 -0.216 19311 1318 1 2 . 1 1 129 129 TYR N N 129 120.375 120.375 118.208 2.167 19311 1319 1 2 . 1 1 129 129 TYR C C 129 176.280 176.280 176.066 0.214 19311 1320 1 2 . 1 1 129 129 TYR CA C 129 57.265 57.265 57.188 0.077 19311 1321 1 2 . 1 1 129 129 TYR CB C 129 38.931 38.931 41.593 -2.662 19311 1322 1 2 . 1 1 129 129 TYR H H 129 8.585 8.585 8.374 0.211 19311 1323 1 2 . 1 1 130 130 VAL N N 130 121.466 121.466 117.342 4.124 19311 1324 1 2 . 1 1 130 130 VAL C C 130 174.139 174.139 174.736 -0.597 19311 1325 1 2 . 1 1 130 130 VAL CA C 130 59.324 59.324 59.396 -0.072 19311 1326 1 2 . 1 1 130 130 VAL CB C 130 34.193 34.193 35.572 -1.379 19311 1327 1 2 . 1 1 130 130 VAL H H 130 8.851 8.851 9.099 -0.248 19311 1328 1 2 . 1 1 131 131 THR N N 131 113.648 113.648 112.954 0.694 19311 1329 1 2 . 1 1 131 131 THR C C 131 175.861 175.861 175.623 0.238 19311 1330 1 2 . 1 1 131 131 THR CA C 131 59.748 59.748 59.650 0.098 19311 1331 1 2 . 1 1 131 131 THR CB C 131 70.864 70.864 70.906 -0.042 19311 1332 1 2 . 1 1 131 131 THR H H 131 7.768 7.768 7.958 -0.190 19311 1333 1 2 . 1 1 132 132 ASN N N 132 119.407 119.407 120.165 -0.758 19311 1334 1 2 . 1 1 132 132 ASN CA C 132 56.643 56.643 56.846 -0.203 19311 1335 1 2 . 1 1 132 132 ASN CB C 132 38.269 38.269 38.144 0.125 19311 1336 1 2 . 1 1 132 132 ASN H H 132 8.518 8.518 8.704 -0.186 19311 1337 1 2 . 1 1 133 133 SER C C 133 176.763 176.763 176.409 0.354 19311 1338 1 2 . 1 1 133 133 SER CA C 133 61.287 61.287 61.331 -0.044 19311 1339 1 2 . 1 1 134 134 ARG N N 134 124.193 124.193 121.228 2.965 19311 1340 1 2 . 1 1 134 134 ARG C C 134 178.393 178.393 178.605 -0.212 19311 1341 1 2 . 1 1 134 134 ARG CA C 134 57.034 57.034 58.986 -1.952 19311 1342 1 2 . 1 1 134 134 ARG CB C 134 29.051 29.051 30.070 -1.019 19311 1343 1 2 . 1 1 134 134 ARG H H 134 7.333 7.333 7.660 -0.327 19311 1344 1 2 . 1 1 135 135 ALA N N 135 124.165 124.165 122.851 1.314 19311 1345 1 2 . 1 1 135 135 ALA C C 135 180.063 180.063 179.361 0.702 19311 1346 1 2 . 1 1 135 135 ALA CA C 135 55.239 55.239 55.225 0.014 19311 1347 1 2 . 1 1 135 135 ALA CB C 135 16.063 16.063 18.448 -2.385 19311 1348 1 2 . 1 1 135 135 ALA H H 135 8.656 8.656 8.377 0.279 19311 1349 1 2 . 1 1 136 136 MET N N 136 117.770 117.770 116.444 1.326 19311 1350 1 2 . 1 1 136 136 MET C C 136 178.837 178.837 178.831 0.006 19311 1351 1 2 . 1 1 136 136 MET CA C 136 58.214 58.214 58.949 -0.735 19311 1352 1 2 . 1 1 136 136 MET CB C 136 31.493 31.493 32.683 -1.190 19311 1353 1 2 . 1 1 136 136 MET H H 136 8.211 8.211 8.139 0.072 19311 1354 1 2 . 1 1 137 137 SER N N 137 114.607 114.607 114.560 0.047 19311 1355 1 2 . 1 1 137 137 SER C C 137 176.196 176.196 176.782 -0.586 19311 1356 1 2 . 1 1 137 137 SER CA C 137 60.589 60.589 60.605 -0.016 19311 1357 1 2 . 1 1 137 137 SER CB C 137 62.236 62.236 63.299 -1.063 19311 1358 1 2 . 1 1 137 137 SER H H 137 8.021 8.021 8.112 -0.091 19311 1359 1 2 . 1 1 138 138 HIS N N 138 120.793 120.793 120.716 0.077 19311 1360 1 2 . 1 1 138 138 HIS C C 138 174.530 174.530 175.611 -1.081 19311 1361 1 2 . 1 1 138 138 HIS CA C 138 58.296 58.296 57.013 1.283 19311 1362 1 2 . 1 1 138 138 HIS CB C 138 29.593 29.593 30.931 -1.338 19311 1363 1 2 . 1 1 138 138 HIS H H 138 8.462 8.462 7.884 0.578 19311 1364 1 2 . 1 1 139 139 PHE N N 139 114.046 114.046 114.738 -0.692 19311 1365 1 2 . 1 1 139 139 PHE C C 139 173.540 173.540 176.005 -2.465 19311 1366 1 2 . 1 1 139 139 PHE CA C 139 58.722 58.722 59.051 -0.329 19311 1367 1 2 . 1 1 139 139 PHE CB C 139 38.583 38.583 39.689 -1.106 19311 1368 1 2 . 1 1 139 139 PHE H H 139 7.466 7.466 7.949 -0.483 19311 1369 1 2 . 1 1 140 140 LYS N N 140 110.734 110.734 115.668 -4.934 19311 1370 1 2 . 1 1 140 140 LYS C C 140 175.951 175.951 175.223 0.728 19311 1371 1 2 . 1 1 140 140 LYS CA C 140 56.106 56.106 56.849 -0.743 19311 1372 1 2 . 1 1 140 140 LYS CB C 140 27.887 27.887 29.470 -1.583 19311 1373 1 2 . 1 1 140 140 LYS H H 140 7.141 7.141 8.380 -1.239 19311 1374 1 2 . 1 1 141 141 ILE N N 141 114.716 114.716 119.496 -4.780 19311 1375 1 2 . 1 1 141 141 ILE C C 141 173.514 173.514 173.898 -0.384 19311 1376 1 2 . 1 1 141 141 ILE CA C 141 58.801 58.801 60.165 -1.364 19311 1377 1 2 . 1 1 141 141 ILE CB C 141 41.595 41.595 40.017 1.579 19311 1378 1 2 . 1 1 141 141 ILE H H 141 7.309 7.309 7.497 -0.188 19311 1379 1 2 . 1 1 142 142 SER N N 142 115.031 115.031 121.089 -6.058 19311 1380 1 2 . 1 1 142 142 SER C C 142 176.437 176.437 175.847 0.590 19311 1381 1 2 . 1 1 142 142 SER CA C 142 55.685 55.685 58.057 -2.372 19311 1382 1 2 . 1 1 142 142 SER CB C 142 62.911 62.911 63.896 -0.985 19311 1383 1 2 . 1 1 142 142 SER H H 142 7.814 7.814 8.379 -0.565 19311 1384 1 2 . 1 1 143 143 LEU N N 143 127.405 127.405 126.608 0.797 19311 1385 1 2 . 1 1 143 143 LEU C C 143 178.496 178.496 178.502 -0.006 19311 1386 1 2 . 1 1 143 143 LEU CA C 143 56.183 56.183 56.583 -0.400 19311 1387 1 2 . 1 1 143 143 LEU CB C 143 40.186 40.186 41.536 -1.350 19311 1388 1 2 . 1 1 143 143 LEU H H 143 8.735 8.735 9.332 -0.597 19311 1389 1 2 . 1 1 144 144 SER N N 144 114.479 114.479 114.467 0.012 19311 1390 1 2 . 1 1 144 144 SER CA C 144 60.242 60.242 60.770 -0.528 19311 1391 1 2 . 1 1 144 144 SER CB C 144 61.694 61.694 62.965 -1.271 19311 1392 1 2 . 1 1 144 144 SER H H 144 8.140 8.140 7.821 0.319 19311 1393 1 2 . 1 1 145 145 ASN N N 145 117.299 117.299 118.820 -1.521 19311 1394 1 2 . 1 1 145 145 ASN C C 145 175.940 175.940 175.699 0.241 19311 1395 1 2 . 1 1 145 145 ASN CA C 145 54.269 54.269 54.269 0.000 19311 1396 1 2 . 1 1 145 145 ASN CB C 145 38.284 38.284 39.797 -1.513 19311 1397 1 2 . 1 1 145 145 ASN H H 145 7.735 7.735 7.637 0.098 19311 1398 1 2 . 1 1 146 146 ILE N N 146 112.479 112.479 111.580 0.899 19311 1399 1 2 . 1 1 146 146 ILE C C 146 174.155 174.155 174.457 -0.302 19311 1400 1 2 . 1 1 146 146 ILE CA C 146 60.838 60.838 60.921 -0.083 19311 1401 1 2 . 1 1 146 146 ILE CB C 146 39.123 39.123 39.172 -0.049 19311 1402 1 2 . 1 1 146 146 ILE H H 146 7.489 7.489 7.416 0.073 19311 1403 1 2 . 1 1 147 147 SER N N 147 114.961 114.961 114.809 0.152 19311 1404 1 2 . 1 1 147 147 SER CA C 147 56.770 56.770 56.902 -0.132 19311 1405 1 2 . 1 1 147 147 SER CB C 147 64.077 64.077 65.223 -1.146 19311 1406 1 2 . 1 1 147 147 SER H H 147 7.794 7.794 7.870 -0.076 19311 1407 1 2 . 1 1 148 148 SER C C 148 174.292 174.292 174.701 -0.409 19311 1408 1 2 . 1 1 148 148 SER CA C 148 58.192 58.192 59.158 -0.966 19311 1409 1 2 . 1 1 148 148 SER CB C 148 62.840 62.840 63.438 -0.598 19311 1410 1 2 . 1 1 149 149 LYS N N 149 122.096 122.096 122.296 -0.200 19311 1411 1 2 . 1 1 149 149 LYS CA C 149 54.607 54.607 54.749 -0.142 19311 1412 1 2 . 1 1 149 149 LYS CB C 149 33.707 33.707 33.854 -0.147 19311 1413 1 2 . 1 1 149 149 LYS H H 149 8.049 8.049 7.629 0.420 19311 1414 1 2 . 1 1 150 150 GLU N N 150 120.070 120.070 118.095 1.975 19311 1415 1 2 . 1 1 150 150 GLU C C 150 174.162 174.162 175.314 -1.152 19311 1416 1 2 . 1 1 150 150 GLU CA C 150 56.703 56.703 56.409 0.294 19311 1417 1 2 . 1 1 150 150 GLU CB C 150 29.037 29.037 29.787 -0.750 19311 1418 1 2 . 1 1 150 150 GLU H H 150 8.613 8.613 8.745 -0.132 19311 1419 1 2 . 1 1 151 151 ILE N N 151 118.006 118.006 112.943 5.063 19311 1420 1 2 . 1 1 151 151 ILE C C 151 175.069 175.069 173.864 1.205 19311 1421 1 2 . 1 1 151 151 ILE CA C 151 59.088 59.088 59.046 0.042 19311 1422 1 2 . 1 1 151 151 ILE CB C 151 39.773 39.773 41.742 -1.969 19311 1423 1 2 . 1 1 151 151 ILE H H 151 6.873 6.873 7.280 -0.407 19311 1424 1 2 . 1 1 152 152 VAL N N 152 117.278 117.278 114.250 3.028 19311 1425 1 2 . 1 1 152 152 VAL CA C 152 56.340 56.340 57.966 -1.626 19311 1426 1 2 . 1 1 152 152 VAL CB C 152 33.340 33.340 34.252 -0.912 19311 1427 1 2 . 1 1 152 152 VAL H H 152 8.401 8.401 8.628 -0.227 19311 1428 1 2 . 1 1 153 153 PRO C C 153 175.090 175.090 175.722 -0.632 19311 1429 1 2 . 1 1 153 153 PRO CA C 153 60.885 60.885 62.067 -1.182 19311 1430 1 2 . 1 1 153 153 PRO CB C 153 31.113 31.113 32.215 -1.102 19311 1431 1 2 . 1 1 154 154 VAL N N 154 124.951 124.951 119.004 5.947 19311 1432 1 2 . 1 1 154 154 VAL C C 154 174.325 174.325 174.280 0.045 19311 1433 1 2 . 1 1 154 154 VAL CA C 154 59.700 59.700 60.633 -0.933 19311 1434 1 2 . 1 1 154 154 VAL CB C 154 35.364 35.364 36.454 -1.090 19311 1435 1 2 . 1 1 154 154 VAL H H 154 9.206 9.206 8.576 0.630 19311 1436 1 2 . 1 1 155 155 LEU N N 155 122.272 122.272 127.314 -5.042 19311 1437 1 2 . 1 1 155 155 LEU C C 155 174.865 174.865 174.397 0.468 19311 1438 1 2 . 1 1 155 155 LEU CA C 155 52.543 52.543 53.561 -1.018 19311 1439 1 2 . 1 1 155 155 LEU CB C 155 43.016 43.016 44.029 -1.014 19311 1440 1 2 . 1 1 155 155 LEU H H 155 7.818 7.818 8.903 -1.085 19311 1441 1 2 . 1 1 156 156 ASN N N 156 126.663 126.663 126.336 0.327 19311 1442 1 2 . 1 1 156 156 ASN C C 156 174.956 174.956 174.443 0.513 19311 1443 1 2 . 1 1 156 156 ASN CA C 156 51.381 51.381 51.708 -0.327 19311 1444 1 2 . 1 1 156 156 ASN CB C 156 38.588 38.588 38.839 -0.251 19311 1445 1 2 . 1 1 156 156 ASN H H 156 9.256 9.256 9.030 0.226 19311 1446 1 2 . 1 1 157 157 VAL N N 157 126.547 126.547 126.548 -0.001 19311 1447 1 2 . 1 1 157 157 VAL C C 157 174.990 174.990 174.597 0.393 19311 1448 1 2 . 1 1 157 157 VAL CA C 157 62.737 62.737 62.581 0.156 19311 1449 1 2 . 1 1 157 157 VAL CB C 157 33.901 33.901 32.768 1.133 19311 1450 1 2 . 1 1 157 157 VAL H H 157 8.730 8.730 8.672 0.058 19311 1451 1 2 . 1 1 158 158 ASN N N 158 122.925 122.925 125.618 -2.693 19311 1452 1 2 . 1 1 158 158 ASN C C 158 174.151 174.151 174.963 -0.812 19311 1453 1 2 . 1 1 158 158 ASN CA C 158 53.155 53.155 54.150 -0.995 19311 1454 1 2 . 1 1 158 158 ASN CB C 158 40.955 40.955 40.413 0.542 19311 1455 1 2 . 1 1 158 158 ASN H H 158 8.086 8.086 8.895 -0.809 19311 1456 1 2 . 1 1 159 159 GLN N N 159 118.639 118.639 117.851 0.788 19311 1457 1 2 . 1 1 159 159 GLN C C 159 174.146 174.146 174.035 0.111 19311 1458 1 2 . 1 1 159 159 GLN CA C 159 54.960 54.960 54.234 0.726 19311 1459 1 2 . 1 1 159 159 GLN CB C 159 33.259 33.259 31.037 2.222 19311 1460 1 2 . 1 1 159 159 GLN H H 159 8.013 8.013 8.052 -0.039 19311 1461 1 2 . 1 1 160 160 ALA N N 160 121.359 121.359 125.811 -4.452 19311 1462 1 2 . 1 1 160 160 ALA C C 160 176.623 176.623 175.863 0.760 19311 1463 1 2 . 1 1 160 160 ALA CA C 160 51.336 51.336 51.578 -0.242 19311 1464 1 2 . 1 1 160 160 ALA CB C 160 20.748 20.748 22.661 -1.913 19311 1465 1 2 . 1 1 160 160 ALA H H 160 8.277 8.277 8.450 -0.173 19311 1466 1 2 . 1 1 161 161 THR N N 161 115.028 115.028 113.698 1.330 19311 1467 1 2 . 1 1 161 161 THR CA C 161 59.988 59.988 60.118 -0.130 19311 1468 1 2 . 1 1 161 161 THR CB C 161 69.766 69.766 72.480 -2.714 19311 1469 1 2 . 1 1 161 161 THR H H 161 9.101 9.101 8.826 0.275 19311 1470 1 2 . 1 1 162 162 ILE C C 162 175.079 175.079 174.157 0.922 19311 1471 1 2 . 1 1 162 162 ILE CA C 162 62.025 62.025 60.428 1.597 19311 1472 1 2 . 1 1 162 162 ILE CB C 162 39.360 39.360 41.268 -1.908 19311 1473 1 2 . 1 1 163 163 PHE N N 163 128.730 128.730 124.371 4.359 19311 1474 1 2 . 1 1 163 163 PHE CA C 163 59.063 59.063 56.219 2.844 19311 1475 1 2 . 1 1 163 163 PHE CB C 163 39.535 39.535 43.095 -3.560 19311 1476 1 2 . 1 1 163 163 PHE H H 163 9.310 9.310 8.810 0.500 19311 1477 1 2 . 1 1 165 165 ILE C C 165 175.305 175.305 174.970 0.335 19311 1478 1 2 . 1 1 165 165 ILE CA C 165 60.713 60.713 62.114 -1.401 19311 1479 1 2 . 1 1 165 165 ILE CB C 165 38.555 38.555 39.692 -1.137 19311 1480 1 2 . 1 1 166 166 ASP N N 166 124.971 124.971 117.249 7.722 19311 1481 1 2 . 1 1 166 166 ASP C C 166 175.583 175.583 173.834 1.749 19311 1482 1 2 . 1 1 166 166 ASP CA C 166 53.988 53.988 53.205 0.784 19311 1483 1 2 . 1 1 166 166 ASP CB C 166 41.109 41.109 43.840 -2.731 19311 1484 1 2 . 1 1 166 166 ASP H H 166 8.400 8.400 8.004 0.396 19311 1485 1 2 . 1 1 167 167 GLN N N 167 122.323 122.323 120.358 1.965 19311 1486 1 2 . 1 1 167 167 GLN C C 167 175.699 175.699 176.056 -0.357 19311 1487 1 2 . 1 1 167 167 GLN CA C 167 55.012 55.012 55.688 -0.676 19311 1488 1 2 . 1 1 167 167 GLN CB C 167 28.830 28.830 29.789 -0.959 19311 1489 1 2 . 1 1 167 167 GLN H H 167 8.379 8.379 8.231 0.148 19311 1490 1 2 . 1 1 168 168 VAL N N 168 122.545 122.545 121.704 0.841 19311 1491 1 2 . 1 1 168 168 VAL C C 168 176.586 176.586 176.081 0.505 19311 1492 1 2 . 1 1 168 168 VAL CA C 168 62.315 62.315 63.206 -0.891 19311 1493 1 2 . 1 1 168 168 VAL CB C 168 31.976 31.976 32.096 -0.120 19311 1494 1 2 . 1 1 168 168 VAL H H 168 8.097 8.097 8.127 -0.030 19311 1495 1 2 . 1 1 169 169 GLY N N 169 112.864 112.864 113.201 -0.337 19311 1496 1 2 . 1 1 169 169 GLY CA C 169 44.508 44.508 44.086 0.422 19311 1497 1 2 . 1 1 169 169 GLY H H 169 8.349 8.349 8.160 0.189 19311 1498 1 2 . 1 1 171 171 LEU C C 171 177.338 177.338 176.791 0.547 19311 1499 1 2 . 1 1 171 171 LEU CA C 171 54.598 54.598 53.933 0.665 19311 1500 1 2 . 1 1 171 171 LEU CB C 171 40.893 40.893 43.973 -3.080 19311 1501 1 2 . 1 1 172 172 SER N N 172 117.418 117.418 120.561 -3.143 19311 1502 1 2 . 1 1 172 172 SER C C 172 172.759 172.759 174.772 -2.013 19311 1503 1 2 . 1 1 172 172 SER CA C 172 57.862 57.862 58.250 -0.388 19311 1504 1 2 . 1 1 172 172 SER CB C 172 63.116 63.116 64.358 -1.242 19311 1505 1 2 . 1 1 172 172 SER H H 172 7.985 7.985 8.705 -0.720 19311 1506 1 2 . 1 1 173 173 THR N N 173 116.665 116.665 115.198 1.467 19311 1507 1 2 . 1 1 173 173 THR C C 173 173.571 173.571 174.463 -0.892 19311 1508 1 2 . 1 1 173 173 THR CA C 173 61.126 61.126 62.746 -1.620 19311 1509 1 2 . 1 1 173 173 THR CB C 173 69.260 69.260 69.083 0.177 19311 1510 1 2 . 1 1 173 173 THR H H 173 7.922 7.922 8.312 -0.390 19311 1511 1 2 . 1 1 174 174 PHE N N 174 125.740 125.740 123.500 2.240 19311 1512 1 2 . 1 1 174 174 PHE CA C 174 54.742 54.742 56.816 -2.074 19311 1513 1 2 . 1 1 174 174 PHE CB C 174 38.364 38.364 38.221 0.143 19311 1514 1 2 . 1 1 174 174 PHE H H 174 8.618 8.618 7.506 1.112 19311 1515 1 2 . 1 1 175 175 PRO C C 175 178.235 178.235 175.678 2.557 19311 1516 1 2 . 1 1 175 175 PRO CA C 175 61.555 61.555 63.058 -1.503 19311 1517 1 2 . 1 1 175 175 PRO CB C 175 31.606 31.606 31.991 -0.385 19311 1518 1 2 . 1 1 176 176 PHE N N 176 119.598 119.598 119.166 0.432 19311 1519 1 2 . 1 1 176 176 PHE C C 176 178.361 178.361 177.652 0.709 19311 1520 1 2 . 1 1 176 176 PHE CA C 176 59.631 59.631 57.243 2.388 19311 1521 1 2 . 1 1 176 176 PHE CB C 176 39.493 39.493 40.304 -0.811 19311 1522 1 2 . 1 1 176 176 PHE H H 176 9.179 9.179 8.100 1.079 19311 1523 1 2 . 1 1 177 177 VAL N N 177 121.283 121.283 120.838 0.445 19311 1524 1 2 . 1 1 177 177 VAL C C 177 174.922 174.922 177.791 -2.869 19311 1525 1 2 . 1 1 177 177 VAL CA C 177 62.670 62.670 65.320 -2.651 19311 1526 1 2 . 1 1 177 177 VAL CB C 177 31.437 31.437 31.849 -0.412 19311 1527 1 2 . 1 1 177 177 VAL H H 177 9.408 9.408 8.746 0.662 19311 1528 1 2 . 1 1 178 178 TYR N N 178 116.602 116.602 118.048 -1.446 19311 1529 1 2 . 1 1 178 178 TYR C C 178 176.839 176.839 177.717 -0.878 19311 1530 1 2 . 1 1 178 178 TYR CA C 178 56.575 56.575 58.457 -1.882 19311 1531 1 2 . 1 1 178 178 TYR CB C 178 35.764 35.764 36.660 -0.896 19311 1532 1 2 . 1 1 178 178 TYR H H 178 6.166 6.166 8.339 -2.173 19311 1533 1 2 . 1 1 179 179 LYS N N 179 118.114 118.114 117.987 0.127 19311 1534 1 2 . 1 1 179 179 LYS C C 179 176.384 176.384 176.947 -0.563 19311 1535 1 2 . 1 1 179 179 LYS CA C 179 57.540 57.540 57.826 -0.286 19311 1536 1 2 . 1 1 179 179 LYS CB C 179 31.024 31.024 31.619 -0.595 19311 1537 1 2 . 1 1 179 179 LYS H H 179 7.554 7.554 7.798 -0.244 19311 1538 1 2 . 1 1 180 180 TYR N N 180 117.346 117.346 117.887 -0.541 19311 1539 1 2 . 1 1 180 180 TYR C C 180 174.479 174.479 175.603 -1.124 19311 1540 1 2 . 1 1 180 180 TYR CA C 180 57.407 57.407 58.894 -1.487 19311 1541 1 2 . 1 1 180 180 TYR CB C 180 38.020 38.020 38.447 -0.427 19311 1542 1 2 . 1 1 180 180 TYR H H 180 7.788 7.788 7.580 0.208 19311 1543 1 3 . 1 1 13 13 THR C C 13 174.300 174.300 175.864 -1.564 19311 1544 1 3 . 1 1 13 13 THR CA C 13 61.472 61.472 63.704 -2.232 19311 1545 1 3 . 1 1 13 13 THR CB C 13 69.201 69.201 68.703 0.498 19311 1546 1 3 . 1 1 14 14 ASP N N 14 123.228 123.228 121.764 1.464 19311 1547 1 3 . 1 1 14 14 ASP C C 14 176.245 176.245 177.248 -1.003 19311 1548 1 3 . 1 1 14 14 ASP CA C 14 53.996 53.996 56.336 -2.340 19311 1549 1 3 . 1 1 14 14 ASP CB C 14 41.601 41.601 40.091 1.510 19311 1550 1 3 . 1 1 14 14 ASP H H 14 8.321 8.321 8.788 -0.467 19311 1551 1 3 . 1 1 15 15 SER N N 15 115.463 115.463 113.589 1.874 19311 1552 1 3 . 1 1 15 15 SER C C 15 175.991 175.991 175.634 0.357 19311 1553 1 3 . 1 1 15 15 SER CA C 15 58.020 58.020 59.634 -1.614 19311 1554 1 3 . 1 1 15 15 SER CB C 15 63.080 63.080 63.028 0.052 19311 1555 1 3 . 1 1 15 15 SER H H 15 8.403 8.403 7.299 1.104 19311 1556 1 3 . 1 1 16 16 VAL N N 16 124.538 124.538 121.314 3.224 19311 1557 1 3 . 1 1 16 16 VAL C C 16 176.097 176.097 176.863 -0.766 19311 1558 1 3 . 1 1 16 16 VAL CA C 16 62.750 62.750 65.285 -2.535 19311 1559 1 3 . 1 1 16 16 VAL CB C 16 30.859 30.859 32.175 -1.316 19311 1560 1 3 . 1 1 16 16 VAL H H 16 8.139 8.139 7.170 0.969 19311 1561 1 3 . 1 1 17 17 PHE N N 17 119.242 119.242 113.778 5.464 19311 1562 1 3 . 1 1 17 17 PHE C C 17 176.086 176.086 175.465 0.621 19311 1563 1 3 . 1 1 17 17 PHE CA C 17 58.934 58.934 56.546 2.388 19311 1564 1 3 . 1 1 17 17 PHE CB C 17 38.133 38.133 38.901 -0.768 19311 1565 1 3 . 1 1 17 17 PHE H H 17 7.575 7.575 6.807 0.768 19311 1566 1 3 . 1 1 18 18 LEU N N 18 121.292 121.292 121.424 -0.132 19311 1567 1 3 . 1 1 18 18 LEU C C 18 173.871 173.871 176.155 -2.284 19311 1568 1 3 . 1 1 18 18 LEU CA C 18 54.048 54.048 53.568 0.480 19311 1569 1 3 . 1 1 18 18 LEU CB C 18 41.529 41.529 40.355 1.173 19311 1570 1 3 . 1 1 18 18 LEU H H 18 7.586 7.586 6.689 0.897 19311 1571 1 3 . 1 1 19 19 GLN N N 19 128.124 128.124 119.703 8.421 19311 1572 1 3 . 1 1 19 19 GLN CA C 19 53.131 53.131 52.776 0.355 19311 1573 1 3 . 1 1 19 19 GLN CB C 19 30.299 30.299 28.113 2.186 19311 1574 1 3 . 1 1 19 19 GLN H H 19 8.893 8.893 7.742 1.151 19311 1575 1 3 . 1 1 20 20 PRO C C 20 176.974 176.974 175.940 1.034 19311 1576 1 3 . 1 1 20 20 PRO CA C 20 62.459 62.459 63.336 -0.877 19311 1577 1 3 . 1 1 20 20 PRO CB C 20 29.693 29.693 32.147 -2.454 19311 1578 1 3 . 1 1 21 21 TRP N N 21 126.042 126.042 120.487 5.555 19311 1579 1 3 . 1 1 21 21 TRP C C 21 176.624 176.624 176.354 0.270 19311 1580 1 3 . 1 1 21 21 TRP CA C 21 58.241 58.241 57.159 1.082 19311 1581 1 3 . 1 1 21 21 TRP CB C 21 31.457 31.457 30.479 0.978 19311 1582 1 3 . 1 1 21 21 TRP H H 21 9.813 9.813 9.141 0.672 19311 1583 1 3 . 1 1 22 22 ILE N N 22 128.281 128.281 123.657 4.624 19311 1584 1 3 . 1 1 22 22 ILE C C 22 176.776 176.776 177.247 -0.471 19311 1585 1 3 . 1 1 22 22 ILE CA C 22 66.628 66.628 65.555 1.073 19311 1586 1 3 . 1 1 22 22 ILE CB C 22 37.455 37.455 37.138 0.317 19311 1587 1 3 . 1 1 22 22 ILE H H 22 8.438 8.438 8.040 0.398 19311 1588 1 3 . 1 1 23 23 LYS N N 23 121.661 121.661 120.544 1.117 19311 1589 1 3 . 1 1 23 23 LYS C C 23 177.812 177.812 177.797 0.015 19311 1590 1 3 . 1 1 23 23 LYS CA C 23 60.467 60.467 59.165 1.302 19311 1591 1 3 . 1 1 23 23 LYS CB C 23 31.055 31.055 31.057 -0.002 19311 1592 1 3 . 1 1 23 23 LYS H H 23 9.062 9.062 8.039 1.023 19311 1593 1 3 . 1 1 24 24 ALA N N 24 120.454 120.454 121.813 -1.359 19311 1594 1 3 . 1 1 24 24 ALA C C 24 179.285 179.285 179.488 -0.203 19311 1595 1 3 . 1 1 24 24 ALA CA C 24 54.076 54.076 54.800 -0.724 19311 1596 1 3 . 1 1 24 24 ALA CB C 24 17.220 17.220 18.178 -0.958 19311 1597 1 3 . 1 1 24 24 ALA H H 24 8.447 8.447 7.995 0.452 19311 1598 1 3 . 1 1 25 25 LEU N N 25 120.482 120.482 120.203 0.279 19311 1599 1 3 . 1 1 25 25 LEU C C 25 180.269 180.269 178.938 1.331 19311 1600 1 3 . 1 1 25 25 LEU CA C 25 58.102 58.102 57.743 0.359 19311 1601 1 3 . 1 1 25 25 LEU CB C 25 41.636 41.636 42.117 -0.481 19311 1602 1 3 . 1 1 25 25 LEU H H 25 8.071 8.071 8.135 -0.064 19311 1603 1 3 . 1 1 26 26 ILE N N 26 119.868 119.868 119.591 0.277 19311 1604 1 3 . 1 1 26 26 ILE C C 26 179.617 179.617 178.857 0.760 19311 1605 1 3 . 1 1 26 26 ILE CA C 26 63.547 63.547 65.597 -2.050 19311 1606 1 3 . 1 1 26 26 ILE CB C 26 35.786 35.786 37.912 -2.126 19311 1607 1 3 . 1 1 26 26 ILE H H 26 8.158 8.158 8.067 0.091 19311 1608 1 3 . 1 1 27 27 GLU N N 27 122.067 122.067 121.090 0.977 19311 1609 1 3 . 1 1 27 27 GLU C C 27 179.103 179.103 179.506 -0.403 19311 1610 1 3 . 1 1 27 27 GLU CA C 27 59.138 59.138 59.455 -0.317 19311 1611 1 3 . 1 1 27 27 GLU CB C 27 28.461 28.461 29.496 -1.035 19311 1612 1 3 . 1 1 27 27 GLU H H 27 8.543 8.543 8.192 0.351 19311 1613 1 3 . 1 1 28 28 ASP N N 28 119.228 119.228 118.097 1.131 19311 1614 1 3 . 1 1 28 28 ASP C C 28 176.992 176.992 177.376 -0.384 19311 1615 1 3 . 1 1 28 28 ASP CA C 28 55.657 55.657 56.460 -0.803 19311 1616 1 3 . 1 1 28 28 ASP CB C 28 40.403 40.403 40.682 -0.279 19311 1617 1 3 . 1 1 28 28 ASP H H 28 8.396 8.396 8.479 -0.083 19311 1618 1 3 . 1 1 29 29 ASN N N 29 117.545 117.545 116.172 1.373 19311 1619 1 3 . 1 1 29 29 ASN C C 29 174.277 174.277 173.558 0.719 19311 1620 1 3 . 1 1 29 29 ASN CA C 29 53.694 53.694 52.941 0.753 19311 1621 1 3 . 1 1 29 29 ASN CB C 29 40.069 40.069 40.783 -0.714 19311 1622 1 3 . 1 1 29 29 ASN H H 29 7.536 7.536 7.878 -0.342 19311 1623 1 3 . 1 1 30 30 SER N N 30 115.444 115.444 113.828 1.616 19311 1624 1 3 . 1 1 30 30 SER C C 30 173.942 173.942 172.394 1.548 19311 1625 1 3 . 1 1 30 30 SER CA C 30 58.804 58.804 57.818 0.986 19311 1626 1 3 . 1 1 30 30 SER CB C 30 63.838 63.838 64.120 -0.282 19311 1627 1 3 . 1 1 30 30 SER H H 30 7.704 7.704 7.455 0.249 19311 1628 1 3 . 1 1 31 31 GLU N N 31 122.456 122.456 127.585 -5.129 19311 1629 1 3 . 1 1 31 31 GLU C C 31 176.234 176.234 176.237 -0.003 19311 1630 1 3 . 1 1 31 31 GLU CA C 31 55.633 55.633 55.158 0.475 19311 1631 1 3 . 1 1 31 31 GLU CB C 31 29.619 29.619 31.195 -1.577 19311 1632 1 3 . 1 1 31 31 GLU H H 31 8.287 8.287 8.571 -0.284 19311 1633 1 3 . 1 1 32 32 HIS N N 32 120.953 120.953 120.335 0.618 19311 1634 1 3 . 1 1 32 32 HIS C C 32 174.779 174.779 175.040 -0.261 19311 1635 1 3 . 1 1 32 32 HIS CA C 32 56.355 56.355 58.336 -1.981 19311 1636 1 3 . 1 1 32 32 HIS CB C 32 29.467 29.467 29.435 0.032 19311 1637 1 3 . 1 1 32 32 HIS H H 32 8.207 8.207 8.649 -0.442 19311 1638 1 3 . 1 1 33 33 ASP N N 33 120.471 120.471 121.272 -0.801 19311 1639 1 3 . 1 1 33 33 ASP C C 33 175.225 175.225 175.132 0.093 19311 1640 1 3 . 1 1 33 33 ASP CA C 33 54.277 54.277 55.097 -0.820 19311 1641 1 3 . 1 1 33 33 ASP CB C 33 40.007 40.007 39.316 0.690 19311 1642 1 3 . 1 1 33 33 ASP H H 33 8.256 8.256 8.606 -0.350 19311 1643 1 3 . 1 1 34 34 GLN N N 34 118.522 118.522 118.245 0.277 19311 1644 1 3 . 1 1 34 34 GLN C C 34 175.275 175.275 174.628 0.647 19311 1645 1 3 . 1 1 34 34 GLN CA C 34 55.388 55.388 54.526 0.862 19311 1646 1 3 . 1 1 34 34 GLN CB C 34 28.586 28.586 30.298 -1.712 19311 1647 1 3 . 1 1 34 34 GLN H H 34 7.854 7.854 7.662 0.192 19311 1648 1 3 . 1 1 35 35 TYR N N 35 120.831 120.831 127.908 -7.077 19311 1649 1 3 . 1 1 35 35 TYR C C 35 174.882 174.882 174.819 0.063 19311 1650 1 3 . 1 1 35 35 TYR CA C 35 56.752 56.752 58.888 -2.136 19311 1651 1 3 . 1 1 35 35 TYR CB C 35 36.712 36.712 39.361 -2.650 19311 1652 1 3 . 1 1 35 35 TYR H H 35 8.072 8.072 8.623 -0.551 19311 1653 1 3 . 1 1 36 36 HIS N N 36 121.429 121.429 127.167 -5.738 19311 1654 1 3 . 1 1 36 36 HIS CA C 36 53.280 53.280 55.021 -1.741 19311 1655 1 3 . 1 1 36 36 HIS CB C 36 29.223 29.223 30.130 -0.907 19311 1656 1 3 . 1 1 36 36 HIS H H 36 7.788 7.788 8.277 -0.489 19311 1657 1 3 . 1 1 37 37 PRO C C 37 177.021 177.021 176.145 0.876 19311 1658 1 3 . 1 1 37 37 PRO CA C 37 62.947 62.947 63.168 -0.221 19311 1659 1 3 . 1 1 37 37 PRO CB C 37 31.735 31.735 32.311 -0.576 19311 1660 1 3 . 1 1 38 38 SER N N 38 117.550 117.550 114.310 3.240 19311 1661 1 3 . 1 1 38 38 SER C C 38 174.281 174.281 175.362 -1.081 19311 1662 1 3 . 1 1 38 38 SER CA C 38 57.494 57.494 58.562 -1.068 19311 1663 1 3 . 1 1 38 38 SER CB C 38 63.795 63.795 63.538 0.257 19311 1664 1 3 . 1 1 38 38 SER H H 38 8.808 8.808 8.309 0.499 19311 1665 1 3 . 1 1 39 39 GLY N N 39 113.547 113.547 110.080 3.467 19311 1666 1 3 . 1 1 39 39 GLY C C 39 173.690 173.690 173.458 0.232 19311 1667 1 3 . 1 1 39 39 GLY CA C 39 44.463 44.463 44.282 0.181 19311 1668 1 3 . 1 1 39 39 GLY H H 39 8.564 8.564 7.735 0.829 19311 1669 1 3 . 1 1 40 40 HIS N N 40 121.529 121.529 117.327 4.202 19311 1670 1 3 . 1 1 40 40 HIS C C 40 175.794 175.794 175.854 -0.060 19311 1671 1 3 . 1 1 40 40 HIS CA C 40 55.796 55.796 56.808 -1.012 19311 1672 1 3 . 1 1 40 40 HIS CB C 40 26.887 26.887 31.828 -4.941 19311 1673 1 3 . 1 1 40 40 HIS H H 40 9.071 9.071 8.275 0.796 19311 1674 1 3 . 1 1 41 41 VAL N N 41 115.423 115.423 115.582 -0.159 19311 1675 1 3 . 1 1 41 41 VAL C C 41 176.247 176.247 175.054 1.193 19311 1676 1 3 . 1 1 41 41 VAL CA C 41 62.424 62.424 62.562 -0.138 19311 1677 1 3 . 1 1 41 41 VAL CB C 41 31.201 31.201 33.497 -2.296 19311 1678 1 3 . 1 1 41 41 VAL H H 41 8.201 8.201 8.687 -0.486 19311 1679 1 3 . 1 1 42 42 ILE N N 42 120.213 120.213 121.322 -1.109 19311 1680 1 3 . 1 1 42 42 ILE CA C 42 58.655 58.655 57.889 0.766 19311 1681 1 3 . 1 1 42 42 ILE CB C 42 39.579 39.579 40.111 -0.533 19311 1682 1 3 . 1 1 42 42 ILE H H 42 7.305 7.305 8.023 -0.718 19311 1683 1 3 . 1 1 43 43 PRO C C 43 177.076 177.076 176.759 0.317 19311 1684 1 3 . 1 1 43 43 PRO CA C 43 62.446 62.446 63.093 -0.647 19311 1685 1 3 . 1 1 43 43 PRO CB C 43 32.486 32.486 32.414 0.072 19311 1686 1 3 . 1 1 44 44 SER N N 44 116.530 116.530 115.730 0.800 19311 1687 1 3 . 1 1 44 44 SER C C 44 173.398 173.398 173.596 -0.198 19311 1688 1 3 . 1 1 44 44 SER CA C 44 57.636 57.636 58.178 -0.542 19311 1689 1 3 . 1 1 44 44 SER CB C 44 63.032 63.032 63.633 -0.601 19311 1690 1 3 . 1 1 44 44 SER H H 44 8.436 8.436 8.263 0.173 19311 1691 1 3 . 1 1 45 45 LEU N N 45 127.441 127.441 125.382 2.059 19311 1692 1 3 . 1 1 45 45 LEU C C 45 178.103 178.103 176.825 1.278 19311 1693 1 3 . 1 1 45 45 LEU CA C 45 52.534 52.534 53.683 -1.149 19311 1694 1 3 . 1 1 45 45 LEU CB C 45 42.737 42.737 44.572 -1.835 19311 1695 1 3 . 1 1 45 45 LEU H H 45 9.947 9.947 8.221 1.726 19311 1696 1 3 . 1 1 46 46 THR N N 46 114.571 114.571 114.212 0.359 19311 1697 1 3 . 1 1 46 46 THR C C 46 175.217 175.217 175.206 0.011 19311 1698 1 3 . 1 1 46 46 THR CA C 46 60.441 60.441 60.070 0.371 19311 1699 1 3 . 1 1 46 46 THR CB C 46 71.156 71.156 71.131 0.025 19311 1700 1 3 . 1 1 46 46 THR H H 46 9.328 9.328 9.108 0.220 19311 1701 1 3 . 1 1 47 47 LYS N N 47 120.404 120.404 120.568 -0.164 19311 1702 1 3 . 1 1 47 47 LYS C C 47 179.434 179.434 178.773 0.661 19311 1703 1 3 . 1 1 47 47 LYS CA C 47 59.340 59.340 60.463 -1.123 19311 1704 1 3 . 1 1 47 47 LYS CB C 47 30.960 30.960 32.198 -1.238 19311 1705 1 3 . 1 1 47 47 LYS H H 47 8.690 8.690 8.599 0.091 19311 1706 1 3 . 1 1 48 48 GLN N N 48 119.487 119.487 117.632 1.855 19311 1707 1 3 . 1 1 48 48 GLN C C 48 178.691 178.691 178.460 0.231 19311 1708 1 3 . 1 1 48 48 GLN CA C 48 58.356 58.356 58.773 -0.417 19311 1709 1 3 . 1 1 48 48 GLN CB C 48 27.365 27.365 28.452 -1.087 19311 1710 1 3 . 1 1 48 48 GLN H H 48 8.082 8.082 8.130 -0.048 19311 1711 1 3 . 1 1 49 49 ASP N N 49 122.541 122.541 120.435 2.106 19311 1712 1 3 . 1 1 49 49 ASP C C 49 175.759 175.759 178.348 -2.589 19311 1713 1 3 . 1 1 49 49 ASP CA C 49 57.516 57.516 56.970 0.546 19311 1714 1 3 . 1 1 49 49 ASP CB C 49 41.147 41.147 40.725 0.422 19311 1715 1 3 . 1 1 49 49 ASP H H 49 7.743 7.743 7.488 0.255 19311 1716 1 3 . 1 1 50 50 LEU N N 50 113.803 113.803 119.193 -5.390 19311 1717 1 3 . 1 1 50 50 LEU C C 50 178.243 178.243 178.856 -0.613 19311 1718 1 3 . 1 1 50 50 LEU CA C 50 56.063 56.063 56.962 -0.898 19311 1719 1 3 . 1 1 50 50 LEU CB C 50 41.162 41.162 41.811 -0.649 19311 1720 1 3 . 1 1 50 50 LEU H H 50 7.307 7.307 7.992 -0.685 19311 1721 1 3 . 1 1 51 51 ALA N N 51 120.417 120.417 121.718 -1.301 19311 1722 1 3 . 1 1 51 51 ALA C C 51 178.660 178.660 178.149 0.511 19311 1723 1 3 . 1 1 51 51 ALA CA C 51 53.718 53.718 54.235 -0.517 19311 1724 1 3 . 1 1 51 51 ALA CB C 51 18.193 18.193 19.863 -1.670 19311 1725 1 3 . 1 1 51 51 ALA H H 51 7.677 7.677 7.826 -0.149 19311 1726 1 3 . 1 1 52 52 LEU N N 52 116.642 116.642 118.501 -1.859 19311 1727 1 3 . 1 1 52 52 LEU CA C 52 51.307 51.307 51.996 -0.689 19311 1728 1 3 . 1 1 52 52 LEU CB C 52 42.099 42.099 42.353 -0.254 19311 1729 1 3 . 1 1 52 52 LEU H H 52 6.992 6.992 7.888 -0.896 19311 1730 1 3 . 1 1 53 53 PRO C C 53 177.594 177.594 177.904 -0.310 19311 1731 1 3 . 1 1 53 53 PRO CA C 53 65.466 65.466 64.573 0.893 19311 1732 1 3 . 1 1 53 53 PRO CB C 53 31.761 31.761 31.733 0.028 19311 1733 1 3 . 1 1 54 54 HIS N N 54 112.752 112.752 112.939 -0.187 19311 1734 1 3 . 1 1 54 54 HIS C C 54 175.187 175.187 174.674 0.513 19311 1735 1 3 . 1 1 54 54 HIS CA C 54 57.695 57.695 57.488 0.207 19311 1736 1 3 . 1 1 54 54 HIS CB C 54 28.716 28.716 28.699 0.017 19311 1737 1 3 . 1 1 54 54 HIS H H 54 8.274 8.274 8.594 -0.320 19311 1738 1 3 . 1 1 55 55 MET N N 55 116.326 116.326 118.018 -1.692 19311 1739 1 3 . 1 1 55 55 MET C C 55 175.522 175.522 175.843 -0.321 19311 1740 1 3 . 1 1 55 55 MET CA C 55 53.185 53.185 54.279 -1.095 19311 1741 1 3 . 1 1 55 55 MET CB C 55 32.240 32.240 32.413 -0.172 19311 1742 1 3 . 1 1 55 55 MET H H 55 7.254 7.254 7.333 -0.079 19311 1743 1 3 . 1 1 56 56 SER N N 56 116.685 116.685 116.570 0.115 19311 1744 1 3 . 1 1 56 56 SER CA C 56 54.269 54.269 54.262 0.007 19311 1745 1 3 . 1 1 56 56 SER CB C 56 63.227 63.227 64.379 -1.152 19311 1746 1 3 . 1 1 56 56 SER H H 56 7.038 7.038 7.349 -0.311 19311 1747 1 3 . 1 1 57 57 PRO C C 57 178.714 178.714 178.061 0.653 19311 1748 1 3 . 1 1 57 57 PRO CA C 57 64.333 64.333 65.273 -0.940 19311 1749 1 3 . 1 1 57 57 PRO CB C 57 31.044 31.044 31.939 -0.894 19311 1750 1 3 . 1 1 58 58 THR N N 58 115.440 115.440 109.222 6.218 19311 1751 1 3 . 1 1 58 58 THR C C 58 175.811 175.811 174.767 1.044 19311 1752 1 3 . 1 1 58 58 THR CA C 58 65.411 65.411 64.897 0.514 19311 1753 1 3 . 1 1 58 58 THR CB C 58 68.208 68.208 68.397 -0.188 19311 1754 1 3 . 1 1 58 58 THR H H 58 7.560 7.560 7.742 -0.182 19311 1755 1 3 . 1 1 59 59 ILE N N 59 122.823 122.823 119.982 2.841 19311 1756 1 3 . 1 1 59 59 ILE C C 59 176.672 176.672 177.546 -0.874 19311 1757 1 3 . 1 1 59 59 ILE CA C 59 64.230 64.230 62.971 1.260 19311 1758 1 3 . 1 1 59 59 ILE CB C 59 37.283 37.283 38.376 -1.093 19311 1759 1 3 . 1 1 59 59 ILE H H 59 7.182 7.182 7.537 -0.355 19311 1760 1 3 . 1 1 60 60 LEU N N 60 113.853 113.853 120.742 -6.889 19311 1761 1 3 . 1 1 60 60 LEU C C 60 179.288 179.288 177.623 1.665 19311 1762 1 3 . 1 1 60 60 LEU CA C 60 56.589 56.589 57.534 -0.945 19311 1763 1 3 . 1 1 60 60 LEU CB C 60 40.734 40.734 42.242 -1.508 19311 1764 1 3 . 1 1 60 60 LEU H H 60 7.894 7.894 8.351 -0.457 19311 1765 1 3 . 1 1 61 61 THR N N 61 107.267 107.267 108.163 -0.896 19311 1766 1 3 . 1 1 61 61 THR C C 61 173.987 173.987 174.424 -0.437 19311 1767 1 3 . 1 1 61 61 THR CA C 61 61.516 61.516 61.480 0.036 19311 1768 1 3 . 1 1 61 61 THR CB C 61 69.919 69.919 69.165 0.754 19311 1769 1 3 . 1 1 61 61 THR H H 61 7.427 7.427 7.773 -0.346 19311 1770 1 3 . 1 1 62 62 ASN N N 62 121.377 121.377 121.188 0.189 19311 1771 1 3 . 1 1 62 62 ASN CA C 62 49.977 49.977 50.627 -0.650 19311 1772 1 3 . 1 1 62 62 ASN CB C 62 39.885 39.885 40.439 -0.554 19311 1773 1 3 . 1 1 62 62 ASN H H 62 7.368 7.368 7.857 -0.489 19311 1774 1 3 . 1 1 63 63 PRO C C 63 176.868 176.868 177.835 -0.967 19311 1775 1 3 . 1 1 63 63 PRO CA C 63 64.130 64.130 65.229 -1.099 19311 1776 1 3 . 1 1 63 63 PRO CB C 63 32.275 32.275 32.220 0.055 19311 1777 1 3 . 1 1 64 64 CYS N N 64 113.208 113.208 113.142 0.066 19311 1778 1 3 . 1 1 64 64 CYS C C 64 170.205 170.205 174.988 -4.783 19311 1779 1 3 . 1 1 64 64 CYS CA C 64 56.943 56.943 60.379 -3.436 19311 1780 1 3 . 1 1 64 64 CYS CB C 64 26.242 26.242 26.877 -0.635 19311 1781 1 3 . 1 1 64 64 CYS H H 64 7.072 7.072 8.414 -1.342 19311 1782 1 3 . 1 1 65 65 HIS N N 65 108.987 108.987 116.028 -7.041 19311 1783 1 3 . 1 1 65 65 HIS C C 65 174.303 174.303 174.156 0.147 19311 1784 1 3 . 1 1 65 65 HIS CA C 65 56.141 56.141 57.075 -0.934 19311 1785 1 3 . 1 1 65 65 HIS CB C 65 28.565 28.565 29.561 -0.996 19311 1786 1 3 . 1 1 65 65 HIS H H 65 6.651 6.651 7.557 -0.906 19311 1787 1 3 . 1 1 66 66 PHE N N 66 116.823 116.823 119.485 -2.662 19311 1788 1 3 . 1 1 66 66 PHE C C 66 174.308 174.308 173.879 0.429 19311 1789 1 3 . 1 1 66 66 PHE CA C 66 56.990 56.990 56.522 0.468 19311 1790 1 3 . 1 1 66 66 PHE CB C 66 41.535 41.535 43.656 -2.121 19311 1791 1 3 . 1 1 66 66 PHE H H 66 7.548 7.548 7.660 -0.112 19311 1792 1 3 . 1 1 67 67 ALA N N 67 119.242 119.242 121.801 -2.559 19311 1793 1 3 . 1 1 67 67 ALA C C 67 175.495 175.495 175.088 0.407 19311 1794 1 3 . 1 1 67 67 ALA CA C 67 50.842 50.842 51.571 -0.729 19311 1795 1 3 . 1 1 67 67 ALA CB C 67 24.144 24.144 23.100 1.044 19311 1796 1 3 . 1 1 67 67 ALA H H 67 8.646 8.646 9.423 -0.777 19311 1797 1 3 . 1 1 68 68 LYS N N 68 118.338 118.338 119.805 -1.467 19311 1798 1 3 . 1 1 68 68 LYS C C 68 176.011 176.011 175.408 0.603 19311 1799 1 3 . 1 1 68 68 LYS CA C 68 54.557 54.557 54.649 -0.092 19311 1800 1 3 . 1 1 68 68 LYS CB C 68 34.575 34.575 36.278 -1.703 19311 1801 1 3 . 1 1 68 68 LYS H H 68 8.373 8.373 8.737 -0.364 19311 1802 1 3 . 1 1 69 69 ILE N N 69 126.321 126.321 122.986 3.335 19311 1803 1 3 . 1 1 69 69 ILE C C 69 176.711 176.711 176.461 0.250 19311 1804 1 3 . 1 1 69 69 ILE CA C 69 61.581 61.581 61.659 -0.078 19311 1805 1 3 . 1 1 69 69 ILE CB C 69 37.161 37.161 38.729 -1.568 19311 1806 1 3 . 1 1 69 69 ILE H H 69 9.660 9.660 8.957 0.703 19311 1807 1 3 . 1 1 70 70 THR N N 70 118.154 118.154 118.513 -0.359 19311 1808 1 3 . 1 1 70 70 THR C C 70 175.076 175.076 174.756 0.320 19311 1809 1 3 . 1 1 70 70 THR CA C 70 60.883 60.883 61.862 -0.979 19311 1810 1 3 . 1 1 70 70 THR CB C 70 68.643 68.643 71.389 -2.746 19311 1811 1 3 . 1 1 70 70 THR H H 70 8.785 8.785 8.832 -0.047 19311 1812 1 3 . 1 1 71 71 LYS N N 71 122.877 122.877 119.728 3.149 19311 1813 1 3 . 1 1 71 71 LYS C C 71 173.355 173.355 173.404 -0.049 19311 1814 1 3 . 1 1 71 71 LYS CA C 71 56.459 56.459 56.228 0.231 19311 1815 1 3 . 1 1 71 71 LYS CB C 71 34.142 34.142 34.957 -0.815 19311 1816 1 3 . 1 1 71 71 LYS H H 71 7.088 7.088 7.225 -0.137 19311 1817 1 3 . 1 1 72 72 PHE N N 72 122.143 122.143 122.441 -0.298 19311 1818 1 3 . 1 1 72 72 PHE C C 72 175.071 175.071 175.615 -0.544 19311 1819 1 3 . 1 1 72 72 PHE CA C 72 57.980 57.980 58.461 -0.481 19311 1820 1 3 . 1 1 72 72 PHE CB C 72 39.359 39.359 40.134 -0.775 19311 1821 1 3 . 1 1 72 72 PHE H H 72 8.530 8.530 8.739 -0.209 19311 1822 1 3 . 1 1 73 73 TYR N N 73 123.208 123.208 121.655 1.553 19311 1823 1 3 . 1 1 73 73 TYR C C 73 176.295 176.295 174.908 1.387 19311 1824 1 3 . 1 1 73 73 TYR CA C 73 60.464 60.464 59.908 0.556 19311 1825 1 3 . 1 1 73 73 TYR CB C 73 39.634 39.634 39.997 -0.363 19311 1826 1 3 . 1 1 73 73 TYR H H 73 9.437 9.437 9.291 0.146 19311 1827 1 3 . 1 1 74 74 ASN N N 74 113.786 113.786 117.087 -3.301 19311 1828 1 3 . 1 1 74 74 ASN C C 74 172.652 172.652 173.849 -1.197 19311 1829 1 3 . 1 1 74 74 ASN CA C 74 52.675 52.675 52.207 0.468 19311 1830 1 3 . 1 1 74 74 ASN CB C 74 39.801 39.801 38.583 1.218 19311 1831 1 3 . 1 1 74 74 ASN H H 74 7.993 7.993 8.365 -0.372 19311 1832 1 3 . 1 1 75 75 VAL N N 75 124.913 124.913 122.787 2.126 19311 1833 1 3 . 1 1 75 75 VAL C C 75 175.179 175.179 175.669 -0.490 19311 1834 1 3 . 1 1 75 75 VAL CA C 75 61.422 61.422 63.605 -2.183 19311 1835 1 3 . 1 1 75 75 VAL CB C 75 33.185 33.185 31.529 1.656 19311 1836 1 3 . 1 1 75 75 VAL H H 75 7.721 7.721 8.344 -0.623 19311 1837 1 3 . 1 1 76 76 CYS N N 76 125.698 125.698 127.047 -1.349 19311 1838 1 3 . 1 1 76 76 CYS CA C 76 57.694 57.694 56.582 1.112 19311 1839 1 3 . 1 1 76 76 CYS CB C 76 27.993 27.993 31.828 -3.835 19311 1840 1 3 . 1 1 76 76 CYS H H 76 8.677 8.677 8.809 -0.132 19311 1841 1 3 . 1 1 78 78 TYR N N 78 109.730 109.730 118.519 -8.789 19311 1842 1 3 . 1 1 78 78 TYR C C 78 173.592 173.592 174.209 -0.617 19311 1843 1 3 . 1 1 78 78 TYR CA C 78 60.078 60.078 59.539 0.539 19311 1844 1 3 . 1 1 78 78 TYR CB C 78 35.627 35.627 35.667 -0.041 19311 1845 1 3 . 1 1 78 78 TYR H H 78 8.215 8.215 8.181 0.034 19311 1846 1 3 . 1 1 79 79 LYS N N 79 119.181 119.181 119.664 -0.483 19311 1847 1 3 . 1 1 79 79 LYS C C 79 175.198 175.198 175.009 0.189 19311 1848 1 3 . 1 1 79 79 LYS CA C 79 55.243 55.243 55.593 -0.350 19311 1849 1 3 . 1 1 79 79 LYS CB C 79 33.522 33.522 34.717 -1.195 19311 1850 1 3 . 1 1 79 79 LYS H H 79 7.695 7.695 7.968 -0.273 19311 1851 1 3 . 1 1 80 80 VAL N N 80 118.700 118.700 124.115 -5.415 19311 1852 1 3 . 1 1 80 80 VAL C C 80 172.953 172.953 174.302 -1.349 19311 1853 1 3 . 1 1 80 80 VAL CA C 80 61.093 61.093 61.175 -0.082 19311 1854 1 3 . 1 1 80 80 VAL CB C 80 34.048 34.048 33.908 0.140 19311 1855 1 3 . 1 1 80 80 VAL H H 80 7.478 7.478 7.798 -0.320 19311 1856 1 3 . 1 1 81 81 TYR N N 81 128.065 128.065 126.704 1.361 19311 1857 1 3 . 1 1 81 81 TYR C C 81 175.948 175.948 174.672 1.276 19311 1858 1 3 . 1 1 81 81 TYR CA C 81 57.836 57.836 56.831 1.005 19311 1859 1 3 . 1 1 81 81 TYR CB C 81 37.594 37.594 40.210 -2.616 19311 1860 1 3 . 1 1 81 81 TYR H H 81 8.851 8.851 8.063 0.788 19311 1861 1 3 . 1 1 82 82 ALA N N 82 130.227 130.227 126.449 3.778 19311 1862 1 3 . 1 1 82 82 ALA C C 82 174.291 174.291 175.137 -0.846 19311 1863 1 3 . 1 1 82 82 ALA CA C 82 51.702 51.702 50.951 0.751 19311 1864 1 3 . 1 1 82 82 ALA CB C 82 24.004 24.004 22.597 1.407 19311 1865 1 3 . 1 1 82 82 ALA H H 82 9.673 9.673 9.639 0.034 19311 1866 1 3 . 1 1 83 83 SER N N 83 112.455 112.455 113.115 -0.660 19311 1867 1 3 . 1 1 83 83 SER C C 83 175.055 175.055 173.343 1.712 19311 1868 1 3 . 1 1 83 83 SER CA C 83 56.656 56.656 56.185 0.471 19311 1869 1 3 . 1 1 83 83 SER CB C 83 65.405 65.405 65.156 0.249 19311 1870 1 3 . 1 1 83 83 SER H H 83 8.975 8.975 8.508 0.467 19311 1871 1 3 . 1 1 84 84 ILE N N 84 115.288 115.288 119.401 -4.113 19311 1872 1 3 . 1 1 84 84 ILE C C 84 173.569 173.569 173.880 -0.311 19311 1873 1 3 . 1 1 84 84 ILE CA C 84 57.822 57.822 58.933 -1.111 19311 1874 1 3 . 1 1 84 84 ILE CB C 84 41.310 41.310 42.621 -1.311 19311 1875 1 3 . 1 1 84 84 ILE H H 84 8.657 8.657 8.982 -0.325 19311 1876 1 3 . 1 1 85 85 ARG N N 85 116.138 116.138 116.989 -0.851 19311 1877 1 3 . 1 1 85 85 ARG C C 85 174.594 174.594 174.560 0.034 19311 1878 1 3 . 1 1 85 85 ARG CA C 85 52.721 52.721 54.940 -2.219 19311 1879 1 3 . 1 1 85 85 ARG CB C 85 33.188 33.188 34.002 -0.814 19311 1880 1 3 . 1 1 85 85 ARG H H 85 9.306 9.306 8.920 0.386 19311 1881 1 3 . 1 1 86 86 ASP N N 86 121.622 121.622 121.300 0.322 19311 1882 1 3 . 1 1 86 86 ASP C C 86 175.804 175.804 176.072 -0.268 19311 1883 1 3 . 1 1 86 86 ASP CA C 86 51.666 51.666 52.605 -0.939 19311 1884 1 3 . 1 1 86 86 ASP CB C 86 38.969 38.969 41.194 -2.225 19311 1885 1 3 . 1 1 86 86 ASP H H 86 7.506 7.506 8.375 -0.869 19311 1886 1 3 . 1 1 87 87 SER N N 87 109.487 109.487 114.624 -5.137 19311 1887 1 3 . 1 1 87 87 SER C C 87 174.343 174.343 174.052 0.291 19311 1888 1 3 . 1 1 87 87 SER CA C 87 59.775 59.775 59.428 0.347 19311 1889 1 3 . 1 1 87 87 SER CB C 87 62.824 62.824 63.402 -0.578 19311 1890 1 3 . 1 1 87 87 SER H H 87 6.452 6.452 8.470 -2.018 19311 1891 1 3 . 1 1 88 88 SER N N 88 117.714 117.714 116.255 1.459 19311 1892 1 3 . 1 1 88 88 SER C C 88 172.322 172.322 174.212 -1.890 19311 1893 1 3 . 1 1 88 88 SER CA C 88 60.625 60.625 58.993 1.632 19311 1894 1 3 . 1 1 88 88 SER CB C 88 66.392 66.392 64.483 1.909 19311 1895 1 3 . 1 1 88 88 SER H H 88 8.852 8.852 8.371 0.481 19311 1896 1 3 . 1 1 89 89 HIS N N 89 121.987 121.987 121.713 0.274 19311 1897 1 3 . 1 1 89 89 HIS C C 89 173.253 173.253 174.632 -1.379 19311 1898 1 3 . 1 1 89 89 HIS CA C 89 55.530 55.530 55.564 -0.034 19311 1899 1 3 . 1 1 89 89 HIS CB C 89 36.622 36.622 32.164 4.458 19311 1900 1 3 . 1 1 89 89 HIS H H 89 9.568 9.568 8.707 0.861 19311 1901 1 3 . 1 1 90 90 GLN N N 90 112.816 112.816 121.336 -8.520 19311 1902 1 3 . 1 1 90 90 GLN C C 90 175.640 175.640 173.932 1.708 19311 1903 1 3 . 1 1 90 90 GLN CA C 90 53.060 53.060 54.733 -1.673 19311 1904 1 3 . 1 1 90 90 GLN CB C 90 32.977 32.977 31.881 1.096 19311 1905 1 3 . 1 1 90 90 GLN H H 90 7.942 7.942 8.772 -0.830 19311 1906 1 3 . 1 1 91 91 ILE N N 91 119.354 119.354 123.740 -4.386 19311 1907 1 3 . 1 1 91 91 ILE C C 91 172.309 172.309 173.246 -0.937 19311 1908 1 3 . 1 1 91 91 ILE CA C 91 61.019 61.019 59.977 1.042 19311 1909 1 3 . 1 1 91 91 ILE CB C 91 41.077 41.077 42.453 -1.376 19311 1910 1 3 . 1 1 91 91 ILE H H 91 8.937 8.937 9.014 -0.077 19311 1911 1 3 . 1 1 92 92 LEU N N 92 125.414 125.414 125.693 -0.279 19311 1912 1 3 . 1 1 92 92 LEU C C 92 175.848 175.848 175.344 0.504 19311 1913 1 3 . 1 1 92 92 LEU CA C 92 55.084 55.084 55.197 -0.113 19311 1914 1 3 . 1 1 92 92 LEU CB C 92 40.637 40.637 42.033 -1.397 19311 1915 1 3 . 1 1 92 92 LEU H H 92 7.192 7.192 8.641 -1.449 19311 1916 1 3 . 1 1 93 93 VAL N N 93 116.666 116.666 120.475 -3.809 19311 1917 1 3 . 1 1 93 93 VAL C C 93 173.013 173.013 173.547 -0.534 19311 1918 1 3 . 1 1 93 93 VAL CA C 93 58.637 58.637 59.593 -0.956 19311 1919 1 3 . 1 1 93 93 VAL CB C 93 35.844 35.844 35.325 0.519 19311 1920 1 3 . 1 1 93 93 VAL H H 93 9.225 9.225 8.976 0.249 19311 1921 1 3 . 1 1 94 94 GLU N N 94 124.248 124.248 124.999 -0.751 19311 1922 1 3 . 1 1 94 94 GLU CA C 94 53.418 53.418 53.248 0.170 19311 1923 1 3 . 1 1 94 94 GLU CB C 94 32.133 32.133 33.481 -1.348 19311 1924 1 3 . 1 1 94 94 GLU H H 94 8.549 8.549 8.878 -0.329 19311 1925 1 3 . 1 1 95 95 PHE C C 95 175.472 175.472 176.079 -0.607 19311 1926 1 3 . 1 1 95 95 PHE CA C 95 56.710 56.710 56.186 0.524 19311 1927 1 3 . 1 1 95 95 PHE CB C 95 38.774 38.774 41.842 -3.068 19311 1928 1 3 . 1 1 96 96 SER N N 96 119.651 119.651 119.210 0.441 19311 1929 1 3 . 1 1 96 96 SER C C 96 173.024 173.024 175.669 -2.645 19311 1930 1 3 . 1 1 96 96 SER CA C 96 57.233 57.233 58.152 -0.919 19311 1931 1 3 . 1 1 96 96 SER CB C 96 65.249 65.249 64.891 0.357 19311 1932 1 3 . 1 1 96 96 SER H H 96 8.203 8.203 8.768 -0.565 19311 1933 1 3 . 1 1 97 97 GLN N N 97 120.894 120.894 121.171 -0.277 19311 1934 1 3 . 1 1 97 97 GLN C C 97 179.424 179.424 178.343 1.081 19311 1935 1 3 . 1 1 97 97 GLN CA C 97 58.799 58.799 59.799 -1.000 19311 1936 1 3 . 1 1 97 97 GLN CB C 97 26.863 26.863 28.645 -1.782 19311 1937 1 3 . 1 1 97 97 GLN H H 97 8.949 8.949 8.821 0.128 19311 1938 1 3 . 1 1 98 98 GLU N N 98 121.467 121.467 119.062 2.405 19311 1939 1 3 . 1 1 98 98 GLU C C 98 177.401 177.401 178.000 -0.599 19311 1940 1 3 . 1 1 98 98 GLU CA C 98 59.056 59.056 59.451 -0.395 19311 1941 1 3 . 1 1 98 98 GLU CB C 98 28.654 28.654 29.431 -0.777 19311 1942 1 3 . 1 1 98 98 GLU H H 98 8.759 8.759 8.317 0.442 19311 1943 1 3 . 1 1 99 99 CYS N N 99 122.363 122.363 119.764 2.599 19311 1944 1 3 . 1 1 99 99 CYS C C 99 178.667 178.667 177.419 1.248 19311 1945 1 3 . 1 1 99 99 CYS CA C 99 61.683 61.683 63.121 -1.438 19311 1946 1 3 . 1 1 99 99 CYS CB C 99 27.002 27.002 26.718 0.284 19311 1947 1 3 . 1 1 99 99 CYS H H 99 8.194 8.194 7.791 0.403 19311 1948 1 3 . 1 1 100 100 VAL N N 100 120.067 120.067 119.727 0.340 19311 1949 1 3 . 1 1 100 100 VAL C C 100 178.191 178.191 178.085 0.106 19311 1950 1 3 . 1 1 100 100 VAL CA C 100 66.503 66.503 67.200 -0.697 19311 1951 1 3 . 1 1 100 100 VAL CB C 100 31.299 31.299 31.807 -0.508 19311 1952 1 3 . 1 1 100 100 VAL H H 100 8.584 8.584 8.347 0.237 19311 1953 1 3 . 1 1 101 101 SER N N 101 117.155 117.155 116.745 0.410 19311 1954 1 3 . 1 1 101 101 SER C C 101 177.930 177.930 176.891 1.039 19311 1955 1 3 . 1 1 101 101 SER CA C 101 61.182 61.182 62.026 -0.845 19311 1956 1 3 . 1 1 101 101 SER CB C 101 62.112 62.112 63.082 -0.970 19311 1957 1 3 . 1 1 101 101 SER H H 101 8.685 8.685 8.533 0.152 19311 1958 1 3 . 1 1 102 102 ASN N N 102 120.931 120.931 120.288 0.643 19311 1959 1 3 . 1 1 102 102 ASN C C 102 178.047 178.047 177.438 0.609 19311 1960 1 3 . 1 1 102 102 ASN CA C 102 56.108 56.108 55.894 0.214 19311 1961 1 3 . 1 1 102 102 ASN CB C 102 37.456 37.456 38.172 -0.716 19311 1962 1 3 . 1 1 102 102 ASN H H 102 8.638 8.638 8.186 0.452 19311 1963 1 3 . 1 1 103 103 PHE N N 103 124.907 124.907 122.577 2.330 19311 1964 1 3 . 1 1 103 103 PHE C C 103 177.886 177.886 177.663 0.223 19311 1965 1 3 . 1 1 103 103 PHE CA C 103 61.734 61.734 62.022 -0.288 19311 1966 1 3 . 1 1 103 103 PHE CB C 103 38.976 38.976 39.264 -0.288 19311 1967 1 3 . 1 1 103 103 PHE H H 103 8.495 8.495 8.847 -0.352 19311 1968 1 3 . 1 1 104 104 GLU N N 104 120.930 120.930 119.795 1.135 19311 1969 1 3 . 1 1 104 104 GLU C C 104 180.036 180.036 179.416 0.620 19311 1970 1 3 . 1 1 104 104 GLU CA C 104 59.070 59.070 59.319 -0.249 19311 1971 1 3 . 1 1 104 104 GLU CB C 104 28.323 28.323 29.666 -1.343 19311 1972 1 3 . 1 1 104 104 GLU H H 104 8.614 8.614 8.558 0.056 19311 1973 1 3 . 1 1 105 105 ARG N N 105 119.201 119.201 118.243 0.958 19311 1974 1 3 . 1 1 105 105 ARG C C 105 178.097 178.097 178.532 -0.435 19311 1975 1 3 . 1 1 105 105 ARG CA C 105 58.179 58.179 59.030 -0.851 19311 1976 1 3 . 1 1 105 105 ARG CB C 105 29.305 29.305 30.190 -0.885 19311 1977 1 3 . 1 1 105 105 ARG H H 105 7.976 7.976 8.028 -0.052 19311 1978 1 3 . 1 1 106 106 THR N N 106 114.725 114.725 113.214 1.511 19311 1979 1 3 . 1 1 106 106 THR C C 106 175.323 175.323 175.838 -0.515 19311 1980 1 3 . 1 1 106 106 THR CA C 106 65.164 65.164 65.603 -0.439 19311 1981 1 3 . 1 1 106 106 THR CB C 106 68.964 68.964 68.846 0.118 19311 1982 1 3 . 1 1 106 106 THR H H 106 7.744 7.744 7.935 -0.191 19311 1983 1 3 . 1 1 107 107 HIS N N 107 116.911 116.911 115.997 0.914 19311 1984 1 3 . 1 1 107 107 HIS C C 107 174.769 174.769 174.937 -0.168 19311 1985 1 3 . 1 1 107 107 HIS CA C 107 56.636 56.636 56.522 0.114 19311 1986 1 3 . 1 1 107 107 HIS CB C 107 29.833 29.833 30.841 -1.008 19311 1987 1 3 . 1 1 107 107 HIS H H 107 8.033 8.033 7.687 0.346 19311 1988 1 3 . 1 1 108 108 ASN N N 108 118.204 118.204 116.830 1.374 19311 1989 1 3 . 1 1 108 108 ASN C C 108 173.328 173.328 174.541 -1.213 19311 1990 1 3 . 1 1 108 108 ASN CA C 108 53.859 53.859 54.613 -0.754 19311 1991 1 3 . 1 1 108 108 ASN CB C 108 36.623 36.623 36.330 0.294 19311 1992 1 3 . 1 1 108 108 ASN H H 108 8.135 8.135 8.364 -0.229 19311 1993 1 3 . 1 1 109 109 CYS N N 109 111.643 111.643 113.618 -1.975 19311 1994 1 3 . 1 1 109 109 CYS C C 109 171.934 171.934 173.175 -1.241 19311 1995 1 3 . 1 1 109 109 CYS CA C 109 55.233 55.233 55.857 -0.624 19311 1996 1 3 . 1 1 109 109 CYS CB C 109 29.518 29.518 30.789 -1.271 19311 1997 1 3 . 1 1 109 109 CYS H H 109 7.493 7.493 7.320 0.173 19311 1998 1 3 . 1 1 110 110 ARG N N 110 117.680 117.680 119.356 -1.676 19311 1999 1 3 . 1 1 110 110 ARG C C 110 179.018 179.018 177.906 1.112 19311 2000 1 3 . 1 1 110 110 ARG CA C 110 54.914 54.914 55.962 -1.048 19311 2001 1 3 . 1 1 110 110 ARG CB C 110 30.252 30.252 30.998 -0.746 19311 2002 1 3 . 1 1 110 110 ARG H H 110 8.271 8.271 8.426 -0.155 19311 2003 1 3 . 1 1 111 111 ILE N N 111 124.684 124.684 120.525 4.159 19311 2004 1 3 . 1 1 111 111 ILE CA C 111 63.115 63.115 62.996 0.119 19311 2005 1 3 . 1 1 111 111 ILE CB C 111 37.530 37.530 37.592 -0.062 19311 2006 1 3 . 1 1 111 111 ILE H H 111 9.551 9.551 8.794 0.757 19311 2007 1 3 . 1 1 112 112 THR N N 112 106.975 106.975 107.408 -0.433 19311 2008 1 3 . 1 1 112 112 THR C C 112 175.160 175.160 174.821 0.339 19311 2009 1 3 . 1 1 112 112 THR CA C 112 60.029 60.029 61.849 -1.820 19311 2010 1 3 . 1 1 112 112 THR CB C 112 67.949 67.949 68.514 -0.565 19311 2011 1 3 . 1 1 112 112 THR H H 112 6.484 6.484 7.661 -1.177 19311 2012 1 3 . 1 1 113 113 SER N N 113 118.281 118.281 116.692 1.589 19311 2013 1 3 . 1 1 113 113 SER C C 113 173.813 173.813 173.965 -0.152 19311 2014 1 3 . 1 1 113 113 SER CA C 113 58.470 58.470 57.681 0.789 19311 2015 1 3 . 1 1 113 113 SER CB C 113 62.730 62.730 63.628 -0.898 19311 2016 1 3 . 1 1 113 113 SER H H 113 7.446 7.446 7.520 -0.074 19311 2017 1 3 . 1 1 114 114 GLU N N 114 121.273 121.273 122.157 -0.884 19311 2018 1 3 . 1 1 114 114 GLU CA C 114 56.911 56.911 57.798 -0.887 19311 2019 1 3 . 1 1 114 114 GLU CB C 114 27.463 27.463 27.323 0.140 19311 2020 1 3 . 1 1 114 114 GLU H H 114 8.350 8.350 9.016 -0.666 19311 2021 1 3 . 1 1 115 115 THR N N 115 109.184 109.184 105.348 3.836 19311 2022 1 3 . 1 1 115 115 THR C C 115 177.031 177.031 175.991 1.040 19311 2023 1 3 . 1 1 115 115 THR CA C 115 61.908 61.908 62.619 -0.711 19311 2024 1 3 . 1 1 115 115 THR CB C 115 69.072 69.072 70.664 -1.592 19311 2025 1 3 . 1 1 115 115 THR H H 115 7.689 7.689 7.659 0.030 19311 2026 1 3 . 1 1 116 116 THR N N 116 115.339 115.339 119.293 -3.954 19311 2027 1 3 . 1 1 116 116 THR C C 116 175.023 175.023 174.289 0.734 19311 2028 1 3 . 1 1 116 116 THR CA C 116 63.834 63.834 66.998 -3.164 19311 2029 1 3 . 1 1 116 116 THR CB C 116 68.130 68.130 68.882 -0.752 19311 2030 1 3 . 1 1 116 116 THR H H 116 7.979 7.979 8.466 -0.487 19311 2031 1 3 . 1 1 117 117 ASN N N 117 118.558 118.558 114.196 4.362 19311 2032 1 3 . 1 1 117 117 ASN C C 117 174.413 174.413 173.583 0.830 19311 2033 1 3 . 1 1 117 117 ASN CA C 117 53.549 53.549 51.612 1.937 19311 2034 1 3 . 1 1 117 117 ASN CB C 117 37.548 37.548 37.680 -0.132 19311 2035 1 3 . 1 1 117 117 ASN H H 117 8.295 8.295 8.234 0.061 19311 2036 1 3 . 1 1 118 118 CYS N N 118 116.611 116.611 118.213 -1.602 19311 2037 1 3 . 1 1 118 118 CYS C C 118 174.430 174.430 173.864 0.566 19311 2038 1 3 . 1 1 118 118 CYS CA C 118 58.206 58.206 58.341 -0.135 19311 2039 1 3 . 1 1 118 118 CYS CB C 118 28.866 28.866 31.258 -2.392 19311 2040 1 3 . 1 1 118 118 CYS H H 118 7.548 7.548 7.544 0.004 19311 2041 1 3 . 1 1 119 119 LEU N N 119 125.613 125.613 125.226 0.387 19311 2042 1 3 . 1 1 119 119 LEU C C 119 174.612 174.612 176.033 -1.421 19311 2043 1 3 . 1 1 119 119 LEU CA C 119 54.869 54.869 55.815 -0.946 19311 2044 1 3 . 1 1 119 119 LEU CB C 119 42.394 42.394 43.414 -1.020 19311 2045 1 3 . 1 1 119 119 LEU H H 119 8.840 8.840 8.638 0.202 19311 2046 1 3 . 1 1 120 120 MET N N 120 128.079 128.079 124.595 3.484 19311 2047 1 3 . 1 1 120 120 MET C C 120 174.384 174.384 175.840 -1.456 19311 2048 1 3 . 1 1 120 120 MET CA C 120 53.292 53.292 53.158 0.134 19311 2049 1 3 . 1 1 120 120 MET H H 120 9.274 9.274 8.969 0.305 19311 2050 1 3 . 1 1 121 121 ILE N N 121 120.093 120.093 121.765 -1.672 19311 2051 1 3 . 1 1 121 121 ILE C C 121 176.479 176.479 175.265 1.214 19311 2052 1 3 . 1 1 121 121 ILE CA C 121 55.536 55.536 59.901 -4.365 19311 2053 1 3 . 1 1 121 121 ILE CB C 121 36.335 36.335 40.274 -3.939 19311 2054 1 3 . 1 1 121 121 ILE H H 121 8.527 8.527 9.080 -0.553 19311 2055 1 3 . 1 1 122 122 ILE N N 122 119.127 119.127 125.751 -6.624 19311 2056 1 3 . 1 1 122 122 ILE C C 122 174.904 174.904 175.002 -0.098 19311 2057 1 3 . 1 1 122 122 ILE CA C 122 57.790 57.790 59.525 -1.735 19311 2058 1 3 . 1 1 122 122 ILE CB C 122 41.605 41.605 41.390 0.215 19311 2059 1 3 . 1 1 122 122 ILE H H 122 8.913 8.913 8.443 0.470 19311 2060 1 3 . 1 1 123 123 GLY N N 123 106.647 106.647 111.245 -4.598 19311 2061 1 3 . 1 1 123 123 GLY C C 123 170.571 170.571 172.585 -2.014 19311 2062 1 3 . 1 1 123 123 GLY CA C 123 43.698 43.698 44.256 -0.558 19311 2063 1 3 . 1 1 123 123 GLY H H 123 8.373 8.373 8.832 -0.459 19311 2064 1 3 . 1 1 124 124 ASP N N 124 119.021 119.021 120.381 -1.360 19311 2065 1 3 . 1 1 124 124 ASP C C 124 174.481 174.481 174.124 0.357 19311 2066 1 3 . 1 1 124 124 ASP CA C 124 53.993 53.993 55.094 -1.101 19311 2067 1 3 . 1 1 124 124 ASP CB C 124 39.163 39.163 39.970 -0.807 19311 2068 1 3 . 1 1 124 124 ASP H H 124 7.712 7.712 8.264 -0.552 19311 2069 1 3 . 1 1 125 125 ALA N N 125 122.997 122.997 122.907 0.090 19311 2070 1 3 . 1 1 125 125 ALA C C 125 175.798 175.798 175.187 0.611 19311 2071 1 3 . 1 1 125 125 ALA CA C 125 49.258 49.258 50.499 -1.241 19311 2072 1 3 . 1 1 125 125 ALA CB C 125 23.466 23.466 23.429 0.037 19311 2073 1 3 . 1 1 125 125 ALA H H 125 8.502 8.502 7.935 0.567 19311 2074 1 3 . 1 1 126 126 ASP N N 126 121.643 121.643 120.846 0.797 19311 2075 1 3 . 1 1 126 126 ASP C C 126 174.129 174.129 174.067 0.062 19311 2076 1 3 . 1 1 126 126 ASP CA C 126 51.984 51.984 53.067 -1.083 19311 2077 1 3 . 1 1 126 126 ASP CB C 126 43.380 43.380 44.429 -1.049 19311 2078 1 3 . 1 1 126 126 ASP H H 126 8.656 8.656 8.734 -0.078 19311 2079 1 3 . 1 1 127 127 LEU N N 127 124.869 124.869 120.685 4.184 19311 2080 1 3 . 1 1 127 127 LEU C C 127 175.007 175.007 175.851 -0.844 19311 2081 1 3 . 1 1 127 127 LEU CA C 127 53.944 53.944 54.047 -0.103 19311 2082 1 3 . 1 1 127 127 LEU CB C 127 43.759 43.759 42.125 1.634 19311 2083 1 3 . 1 1 127 127 LEU H H 127 8.886 8.886 8.483 0.403 19311 2084 1 3 . 1 1 128 128 VAL N N 128 122.817 122.817 113.296 9.521 19311 2085 1 3 . 1 1 128 128 VAL C C 128 173.242 173.242 174.322 -1.080 19311 2086 1 3 . 1 1 128 128 VAL CA C 128 58.875 58.875 59.423 -0.548 19311 2087 1 3 . 1 1 128 128 VAL CB C 128 34.062 34.062 35.476 -1.414 19311 2088 1 3 . 1 1 128 128 VAL H H 128 8.737 8.737 8.573 0.164 19311 2089 1 3 . 1 1 129 129 TYR N N 129 120.375 120.375 122.932 -2.557 19311 2090 1 3 . 1 1 129 129 TYR C C 129 176.280 176.280 176.633 -0.353 19311 2091 1 3 . 1 1 129 129 TYR CA C 129 57.265 57.265 58.676 -1.411 19311 2092 1 3 . 1 1 129 129 TYR CB C 129 38.931 38.931 39.255 -0.324 19311 2093 1 3 . 1 1 129 129 TYR H H 129 8.585 8.585 8.711 -0.126 19311 2094 1 3 . 1 1 130 130 VAL N N 130 121.466 121.466 118.716 2.750 19311 2095 1 3 . 1 1 130 130 VAL C C 130 174.139 174.139 174.924 -0.785 19311 2096 1 3 . 1 1 130 130 VAL CA C 130 59.324 59.324 58.994 0.330 19311 2097 1 3 . 1 1 130 130 VAL CB C 130 34.193 34.193 35.499 -1.306 19311 2098 1 3 . 1 1 130 130 VAL H H 130 8.851 8.851 8.901 -0.050 19311 2099 1 3 . 1 1 131 131 THR N N 131 113.648 113.648 111.602 2.046 19311 2100 1 3 . 1 1 131 131 THR C C 131 175.861 175.861 175.830 0.031 19311 2101 1 3 . 1 1 131 131 THR CA C 131 59.748 59.748 60.359 -0.611 19311 2102 1 3 . 1 1 131 131 THR CB C 131 70.864 70.864 70.920 -0.056 19311 2103 1 3 . 1 1 131 131 THR H H 131 7.768 7.768 8.238 -0.470 19311 2104 1 3 . 1 1 132 132 ASN N N 132 119.407 119.407 120.323 -0.916 19311 2105 1 3 . 1 1 132 132 ASN CA C 132 56.643 56.643 57.034 -0.391 19311 2106 1 3 . 1 1 132 132 ASN CB C 132 38.269 38.269 38.389 -0.120 19311 2107 1 3 . 1 1 132 132 ASN H H 132 8.518 8.518 8.810 -0.292 19311 2108 1 3 . 1 1 133 133 SER C C 133 176.763 176.763 176.496 0.267 19311 2109 1 3 . 1 1 133 133 SER CA C 133 61.287 61.287 61.799 -0.512 19311 2110 1 3 . 1 1 134 134 ARG N N 134 124.193 124.193 121.354 2.839 19311 2111 1 3 . 1 1 134 134 ARG C C 134 178.393 178.393 178.741 -0.348 19311 2112 1 3 . 1 1 134 134 ARG CA C 134 57.034 57.034 59.264 -2.230 19311 2113 1 3 . 1 1 134 134 ARG CB C 134 29.051 29.051 30.418 -1.367 19311 2114 1 3 . 1 1 134 134 ARG H H 134 7.333 7.333 7.729 -0.396 19311 2115 1 3 . 1 1 135 135 ALA N N 135 124.165 124.165 121.792 2.373 19311 2116 1 3 . 1 1 135 135 ALA C C 135 180.063 180.063 179.209 0.854 19311 2117 1 3 . 1 1 135 135 ALA CA C 135 55.239 55.239 55.106 0.133 19311 2118 1 3 . 1 1 135 135 ALA CB C 135 16.063 16.063 18.599 -2.536 19311 2119 1 3 . 1 1 135 135 ALA H H 135 8.656 8.656 8.438 0.218 19311 2120 1 3 . 1 1 136 136 MET N N 136 117.770 117.770 116.670 1.100 19311 2121 1 3 . 1 1 136 136 MET C C 136 178.837 178.837 178.150 0.687 19311 2122 1 3 . 1 1 136 136 MET CA C 136 58.214 58.214 58.282 -0.068 19311 2123 1 3 . 1 1 136 136 MET CB C 136 31.493 31.493 33.006 -1.513 19311 2124 1 3 . 1 1 136 136 MET H H 136 8.211 8.211 8.134 0.077 19311 2125 1 3 . 1 1 137 137 SER N N 137 114.607 114.607 114.396 0.211 19311 2126 1 3 . 1 1 137 137 SER C C 137 176.196 176.196 175.658 0.538 19311 2127 1 3 . 1 1 137 137 SER CA C 137 60.589 60.589 60.199 0.390 19311 2128 1 3 . 1 1 137 137 SER CB C 137 62.236 62.236 63.500 -1.264 19311 2129 1 3 . 1 1 137 137 SER H H 137 8.021 8.021 8.121 -0.100 19311 2130 1 3 . 1 1 138 138 HIS N N 138 120.793 120.793 117.451 3.342 19311 2131 1 3 . 1 1 138 138 HIS C C 138 174.530 174.530 174.496 0.034 19311 2132 1 3 . 1 1 138 138 HIS CA C 138 58.296 58.296 57.193 1.103 19311 2133 1 3 . 1 1 138 138 HIS CB C 138 29.593 29.593 31.546 -1.953 19311 2134 1 3 . 1 1 138 138 HIS H H 138 8.462 8.462 8.030 0.432 19311 2135 1 3 . 1 1 139 139 PHE N N 139 114.046 114.046 114.983 -0.937 19311 2136 1 3 . 1 1 139 139 PHE C C 139 173.540 173.540 174.588 -1.048 19311 2137 1 3 . 1 1 139 139 PHE CA C 139 58.722 58.722 57.487 1.235 19311 2138 1 3 . 1 1 139 139 PHE CB C 139 38.583 38.583 40.122 -1.539 19311 2139 1 3 . 1 1 139 139 PHE H H 139 7.466 7.466 7.175 0.291 19311 2140 1 3 . 1 1 140 140 LYS N N 140 110.734 110.734 117.623 -6.889 19311 2141 1 3 . 1 1 140 140 LYS C C 140 175.951 175.951 175.280 0.671 19311 2142 1 3 . 1 1 140 140 LYS CA C 140 56.106 56.106 57.068 -0.962 19311 2143 1 3 . 1 1 140 140 LYS CB C 140 27.887 27.887 29.854 -1.967 19311 2144 1 3 . 1 1 140 140 LYS H H 140 7.141 7.141 8.075 -0.934 19311 2145 1 3 . 1 1 141 141 ILE N N 141 114.716 114.716 119.147 -4.431 19311 2146 1 3 . 1 1 141 141 ILE C C 141 173.514 173.514 173.615 -0.101 19311 2147 1 3 . 1 1 141 141 ILE CA C 141 58.801 58.801 60.008 -1.207 19311 2148 1 3 . 1 1 141 141 ILE CB C 141 41.595 41.595 40.136 1.459 19311 2149 1 3 . 1 1 141 141 ILE H H 141 7.309 7.309 7.785 -0.476 19311 2150 1 3 . 1 1 142 142 SER N N 142 115.031 115.031 121.334 -6.303 19311 2151 1 3 . 1 1 142 142 SER C C 142 176.437 176.437 174.638 1.799 19311 2152 1 3 . 1 1 142 142 SER CA C 142 55.685 55.685 58.066 -2.381 19311 2153 1 3 . 1 1 142 142 SER CB C 142 62.911 62.911 63.699 -0.788 19311 2154 1 3 . 1 1 142 142 SER H H 142 7.814 7.814 8.287 -0.473 19311 2155 1 3 . 1 1 143 143 LEU N N 143 127.405 127.405 126.248 1.157 19311 2156 1 3 . 1 1 143 143 LEU C C 143 178.496 178.496 178.745 -0.249 19311 2157 1 3 . 1 1 143 143 LEU CA C 143 56.183 56.183 56.768 -0.585 19311 2158 1 3 . 1 1 143 143 LEU CB C 143 40.186 40.186 42.240 -2.054 19311 2159 1 3 . 1 1 143 143 LEU H H 143 8.735 8.735 9.478 -0.743 19311 2160 1 3 . 1 1 144 144 SER N N 144 114.479 114.479 114.337 0.142 19311 2161 1 3 . 1 1 144 144 SER CA C 144 60.242 60.242 60.846 -0.605 19311 2162 1 3 . 1 1 144 144 SER CB C 144 61.694 61.694 62.968 -1.274 19311 2163 1 3 . 1 1 144 144 SER H H 144 8.140 8.140 7.956 0.184 19311 2164 1 3 . 1 1 145 145 ASN N N 145 117.299 117.299 117.998 -0.699 19311 2165 1 3 . 1 1 145 145 ASN C C 145 175.940 175.940 175.061 0.879 19311 2166 1 3 . 1 1 145 145 ASN CA C 145 54.269 54.269 54.059 0.210 19311 2167 1 3 . 1 1 145 145 ASN CB C 145 38.284 38.284 39.710 -1.426 19311 2168 1 3 . 1 1 145 145 ASN H H 145 7.735 7.735 8.204 -0.469 19311 2169 1 3 . 1 1 146 146 ILE N N 146 112.479 112.479 113.075 -0.596 19311 2170 1 3 . 1 1 146 146 ILE C C 146 174.155 174.155 174.961 -0.806 19311 2171 1 3 . 1 1 146 146 ILE CA C 146 60.838 60.838 61.560 -0.722 19311 2172 1 3 . 1 1 146 146 ILE CB C 146 39.123 39.123 39.862 -0.739 19311 2173 1 3 . 1 1 146 146 ILE H H 146 7.489 7.489 7.630 -0.141 19311 2174 1 3 . 1 1 147 147 SER N N 147 114.961 114.961 116.137 -1.176 19311 2175 1 3 . 1 1 147 147 SER CA C 147 56.770 56.770 57.016 -0.245 19311 2176 1 3 . 1 1 147 147 SER CB C 147 64.077 64.077 66.556 -2.479 19311 2177 1 3 . 1 1 147 147 SER H H 147 7.794 7.794 8.094 -0.300 19311 2178 1 3 . 1 1 148 148 SER C C 148 174.292 174.292 174.349 -0.057 19311 2179 1 3 . 1 1 148 148 SER CA C 148 58.192 58.192 58.643 -0.451 19311 2180 1 3 . 1 1 148 148 SER CB C 148 62.840 62.840 63.296 -0.456 19311 2181 1 3 . 1 1 149 149 LYS N N 149 122.096 122.096 121.963 0.133 19311 2182 1 3 . 1 1 149 149 LYS CA C 149 54.607 54.607 54.532 0.075 19311 2183 1 3 . 1 1 149 149 LYS CB C 149 33.707 33.707 35.073 -1.366 19311 2184 1 3 . 1 1 149 149 LYS H H 149 8.049 8.049 7.448 0.601 19311 2185 1 3 . 1 1 150 150 GLU N N 150 120.070 120.070 118.808 1.262 19311 2186 1 3 . 1 1 150 150 GLU C C 150 174.162 174.162 174.832 -0.670 19311 2187 1 3 . 1 1 150 150 GLU CA C 150 56.703 56.703 56.177 0.526 19311 2188 1 3 . 1 1 150 150 GLU CB C 150 29.037 29.037 30.183 -1.146 19311 2189 1 3 . 1 1 150 150 GLU H H 150 8.613 8.613 8.679 -0.066 19311 2190 1 3 . 1 1 151 151 ILE N N 151 118.006 118.006 119.211 -1.205 19311 2191 1 3 . 1 1 151 151 ILE C C 151 175.069 175.069 174.697 0.372 19311 2192 1 3 . 1 1 151 151 ILE CA C 151 59.088 59.088 60.322 -1.234 19311 2193 1 3 . 1 1 151 151 ILE CB C 151 39.773 39.773 41.189 -1.416 19311 2194 1 3 . 1 1 151 151 ILE H H 151 6.873 6.873 7.577 -0.704 19311 2195 1 3 . 1 1 152 152 VAL N N 152 117.278 117.278 125.793 -8.515 19311 2196 1 3 . 1 1 152 152 VAL CA C 152 56.340 56.340 57.699 -1.359 19311 2197 1 3 . 1 1 152 152 VAL CB C 152 33.340 33.340 36.426 -3.086 19311 2198 1 3 . 1 1 152 152 VAL H H 152 8.401 8.401 9.185 -0.784 19311 2199 1 3 . 1 1 153 153 PRO C C 153 175.090 175.090 175.413 -0.323 19311 2200 1 3 . 1 1 153 153 PRO CA C 153 60.885 60.885 62.475 -1.590 19311 2201 1 3 . 1 1 153 153 PRO CB C 153 31.113 31.113 31.759 -0.646 19311 2202 1 3 . 1 1 154 154 VAL N N 154 124.951 124.951 120.254 4.697 19311 2203 1 3 . 1 1 154 154 VAL C C 154 174.325 174.325 174.581 -0.256 19311 2204 1 3 . 1 1 154 154 VAL CA C 154 59.700 59.700 60.425 -0.725 19311 2205 1 3 . 1 1 154 154 VAL CB C 154 35.364 35.364 36.182 -0.818 19311 2206 1 3 . 1 1 154 154 VAL H H 154 9.206 9.206 8.528 0.678 19311 2207 1 3 . 1 1 155 155 LEU N N 155 122.272 122.272 127.656 -5.384 19311 2208 1 3 . 1 1 155 155 LEU C C 155 174.865 174.865 174.555 0.310 19311 2209 1 3 . 1 1 155 155 LEU CA C 155 52.543 52.543 53.751 -1.208 19311 2210 1 3 . 1 1 155 155 LEU CB C 155 43.016 43.016 42.876 0.140 19311 2211 1 3 . 1 1 155 155 LEU H H 155 7.818 7.818 8.640 -0.822 19311 2212 1 3 . 1 1 156 156 ASN N N 156 126.663 126.663 126.216 0.447 19311 2213 1 3 . 1 1 156 156 ASN C C 156 174.956 174.956 173.952 1.004 19311 2214 1 3 . 1 1 156 156 ASN CA C 156 51.381 51.381 52.215 -0.834 19311 2215 1 3 . 1 1 156 156 ASN CB C 156 38.588 38.588 40.361 -1.773 19311 2216 1 3 . 1 1 156 156 ASN H H 156 9.256 9.256 8.983 0.273 19311 2217 1 3 . 1 1 157 157 VAL N N 157 126.547 126.547 125.881 0.666 19311 2218 1 3 . 1 1 157 157 VAL C C 157 174.990 174.990 174.727 0.263 19311 2219 1 3 . 1 1 157 157 VAL CA C 157 62.737 62.737 61.493 1.244 19311 2220 1 3 . 1 1 157 157 VAL CB C 157 33.901 33.901 34.391 -0.490 19311 2221 1 3 . 1 1 157 157 VAL H H 157 8.730 8.730 8.827 -0.097 19311 2222 1 3 . 1 1 158 158 ASN N N 158 122.925 122.925 123.693 -0.768 19311 2223 1 3 . 1 1 158 158 ASN C C 158 174.151 174.151 175.330 -1.179 19311 2224 1 3 . 1 1 158 158 ASN CA C 158 53.155 53.155 53.468 -0.313 19311 2225 1 3 . 1 1 158 158 ASN CB C 158 40.955 40.955 40.664 0.291 19311 2226 1 3 . 1 1 158 158 ASN H H 158 8.086 8.086 8.767 -0.681 19311 2227 1 3 . 1 1 159 159 GLN N N 159 118.639 118.639 117.974 0.665 19311 2228 1 3 . 1 1 159 159 GLN C C 159 174.146 174.146 173.958 0.188 19311 2229 1 3 . 1 1 159 159 GLN CA C 159 54.960 54.960 54.192 0.768 19311 2230 1 3 . 1 1 159 159 GLN CB C 159 33.259 33.259 31.463 1.796 19311 2231 1 3 . 1 1 159 159 GLN H H 159 8.013 8.013 8.188 -0.175 19311 2232 1 3 . 1 1 160 160 ALA N N 160 121.359 121.359 125.716 -4.357 19311 2233 1 3 . 1 1 160 160 ALA C C 160 176.623 176.623 175.945 0.678 19311 2234 1 3 . 1 1 160 160 ALA CA C 160 51.336 51.336 51.536 -0.200 19311 2235 1 3 . 1 1 160 160 ALA CB C 160 20.748 20.748 22.816 -2.067 19311 2236 1 3 . 1 1 160 160 ALA H H 160 8.277 8.277 8.539 -0.262 19311 2237 1 3 . 1 1 161 161 THR N N 161 115.028 115.028 114.238 0.790 19311 2238 1 3 . 1 1 161 161 THR CA C 161 59.988 59.988 61.295 -1.307 19311 2239 1 3 . 1 1 161 161 THR CB C 161 69.766 69.766 71.722 -1.956 19311 2240 1 3 . 1 1 161 161 THR H H 161 9.101 9.101 8.389 0.712 19311 2241 1 3 . 1 1 162 162 ILE C C 162 175.079 175.079 175.426 -0.347 19311 2242 1 3 . 1 1 162 162 ILE CA C 162 62.025 62.025 61.586 0.439 19311 2243 1 3 . 1 1 162 162 ILE CB C 162 39.360 39.360 39.096 0.264 19311 2244 1 3 . 1 1 163 163 PHE N N 163 128.730 128.730 128.507 0.223 19311 2245 1 3 . 1 1 163 163 PHE CA C 163 59.063 59.063 56.519 2.544 19311 2246 1 3 . 1 1 163 163 PHE CB C 163 39.535 39.535 41.995 -2.461 19311 2247 1 3 . 1 1 163 163 PHE H H 163 9.310 9.310 9.066 0.244 19311 2248 1 3 . 1 1 165 165 ILE C C 165 175.305 175.305 174.164 1.141 19311 2249 1 3 . 1 1 165 165 ILE CA C 165 60.713 60.713 60.951 -0.238 19311 2250 1 3 . 1 1 165 165 ILE CB C 165 38.555 38.555 40.398 -1.843 19311 2251 1 3 . 1 1 166 166 ASP N N 166 124.971 124.971 121.751 3.220 19311 2252 1 3 . 1 1 166 166 ASP C C 166 175.583 175.583 174.912 0.671 19311 2253 1 3 . 1 1 166 166 ASP CA C 166 53.988 53.988 53.001 0.987 19311 2254 1 3 . 1 1 166 166 ASP CB C 166 41.109 41.109 41.852 -0.743 19311 2255 1 3 . 1 1 166 166 ASP H H 166 8.400 8.400 8.238 0.162 19311 2256 1 3 . 1 1 167 167 GLN N N 167 122.323 122.323 123.230 -0.907 19311 2257 1 3 . 1 1 167 167 GLN C C 167 175.699 175.699 175.838 -0.139 19311 2258 1 3 . 1 1 167 167 GLN CA C 167 55.012 55.012 56.139 -1.127 19311 2259 1 3 . 1 1 167 167 GLN CB C 167 28.830 28.830 29.537 -0.707 19311 2260 1 3 . 1 1 167 167 GLN H H 167 8.379 8.379 8.392 -0.013 19311 2261 1 3 . 1 1 168 168 VAL N N 168 122.545 122.545 125.562 -3.017 19311 2262 1 3 . 1 1 168 168 VAL C C 168 176.586 176.586 176.544 0.042 19311 2263 1 3 . 1 1 168 168 VAL CA C 168 62.315 62.315 62.949 -0.634 19311 2264 1 3 . 1 1 168 168 VAL CB C 168 31.976 31.976 31.927 0.049 19311 2265 1 3 . 1 1 168 168 VAL H H 168 8.097 8.097 8.255 -0.158 19311 2266 1 3 . 1 1 169 169 GLY N N 169 112.864 112.864 115.187 -2.323 19311 2267 1 3 . 1 1 169 169 GLY CA C 169 44.508 44.508 43.809 0.699 19311 2268 1 3 . 1 1 169 169 GLY H H 169 8.349 8.349 8.326 0.023 19311 2269 1 3 . 1 1 171 171 LEU C C 171 177.338 177.338 176.449 0.889 19311 2270 1 3 . 1 1 171 171 LEU CA C 171 54.598 54.598 55.485 -0.887 19311 2271 1 3 . 1 1 171 171 LEU CB C 171 40.893 40.893 41.923 -1.030 19311 2272 1 3 . 1 1 172 172 SER N N 172 117.418 117.418 121.712 -4.294 19311 2273 1 3 . 1 1 172 172 SER C C 172 172.759 172.759 174.157 -1.398 19311 2274 1 3 . 1 1 172 172 SER CA C 172 57.862 57.862 57.167 0.695 19311 2275 1 3 . 1 1 172 172 SER CB C 172 63.116 63.116 65.201 -2.085 19311 2276 1 3 . 1 1 172 172 SER H H 172 7.985 7.985 8.603 -0.618 19311 2277 1 3 . 1 1 173 173 THR N N 173 116.665 116.665 114.825 1.840 19311 2278 1 3 . 1 1 173 173 THR C C 173 173.571 173.571 173.101 0.470 19311 2279 1 3 . 1 1 173 173 THR CA C 173 61.126 61.126 62.466 -1.340 19311 2280 1 3 . 1 1 173 173 THR CB C 173 69.260 69.260 68.002 1.258 19311 2281 1 3 . 1 1 173 173 THR H H 173 7.922 7.922 8.175 -0.253 19311 2282 1 3 . 1 1 174 174 PHE N N 174 125.740 125.740 124.129 1.611 19311 2283 1 3 . 1 1 174 174 PHE CA C 174 54.742 54.742 54.912 -0.170 19311 2284 1 3 . 1 1 174 174 PHE CB C 174 38.364 38.364 41.092 -2.728 19311 2285 1 3 . 1 1 174 174 PHE H H 174 8.618 8.618 7.782 0.836 19311 2286 1 3 . 1 1 175 175 PRO C C 175 178.235 178.235 174.296 3.939 19311 2287 1 3 . 1 1 175 175 PRO CA C 175 61.555 61.555 62.316 -0.760 19311 2288 1 3 . 1 1 175 175 PRO CB C 175 31.606 31.606 31.478 0.128 19311 2289 1 3 . 1 1 176 176 PHE N N 176 119.598 119.598 118.794 0.804 19311 2290 1 3 . 1 1 176 176 PHE C C 176 178.361 178.361 176.719 1.642 19311 2291 1 3 . 1 1 176 176 PHE CA C 176 59.631 59.631 55.587 4.044 19311 2292 1 3 . 1 1 176 176 PHE CB C 176 39.493 39.493 41.242 -1.749 19311 2293 1 3 . 1 1 176 176 PHE H H 176 9.179 9.179 7.418 1.761 19311 2294 1 3 . 1 1 177 177 VAL N N 177 121.283 121.283 122.391 -1.108 19311 2295 1 3 . 1 1 177 177 VAL C C 177 174.922 174.922 176.583 -1.661 19311 2296 1 3 . 1 1 177 177 VAL CA C 177 62.670 62.670 66.029 -3.359 19311 2297 1 3 . 1 1 177 177 VAL CB C 177 31.437 31.437 32.404 -0.967 19311 2298 1 3 . 1 1 177 177 VAL H H 177 9.408 9.408 8.249 1.159 19311 2299 1 3 . 1 1 178 178 TYR N N 178 116.602 116.602 114.846 1.756 19311 2300 1 3 . 1 1 178 178 TYR C C 178 176.839 176.839 177.320 -0.481 19311 2301 1 3 . 1 1 178 178 TYR CA C 178 56.575 56.575 58.310 -1.735 19311 2302 1 3 . 1 1 178 178 TYR CB C 178 35.764 35.764 37.884 -2.120 19311 2303 1 3 . 1 1 178 178 TYR H H 178 6.166 6.166 7.611 -1.444 19311 2304 1 3 . 1 1 179 179 LYS N N 179 118.114 118.114 120.379 -2.265 19311 2305 1 3 . 1 1 179 179 LYS C C 179 176.384 176.384 177.223 -0.839 19311 2306 1 3 . 1 1 179 179 LYS CA C 179 57.540 57.540 58.058 -0.518 19311 2307 1 3 . 1 1 179 179 LYS CB C 179 31.024 31.024 32.099 -1.075 19311 2308 1 3 . 1 1 179 179 LYS H H 179 7.554 7.554 7.578 -0.024 19311 2309 1 3 . 1 1 180 180 TYR N N 180 117.346 117.346 117.637 -0.291 19311 2310 1 3 . 1 1 180 180 TYR C C 180 174.479 174.479 175.066 -0.587 19311 2311 1 3 . 1 1 180 180 TYR CA C 180 57.407 57.407 55.760 1.647 19311 2312 1 3 . 1 1 180 180 TYR CB C 180 38.020 38.020 37.536 0.484 19311 2313 1 3 . 1 1 180 180 TYR H H 180 7.788 7.788 7.721 0.067 19311 2314 1 4 . 1 1 13 13 THR C C 13 174.300 174.300 175.291 -0.991 19311 2315 1 4 . 1 1 13 13 THR CA C 13 61.472 61.472 62.848 -1.376 19311 2316 1 4 . 1 1 13 13 THR CB C 13 69.201 69.201 69.244 -0.043 19311 2317 1 4 . 1 1 14 14 ASP N N 14 123.228 123.228 122.240 0.988 19311 2318 1 4 . 1 1 14 14 ASP C C 14 176.245 176.245 177.008 -0.763 19311 2319 1 4 . 1 1 14 14 ASP CA C 14 53.996 53.996 57.004 -3.008 19311 2320 1 4 . 1 1 14 14 ASP CB C 14 41.601 41.601 40.588 1.013 19311 2321 1 4 . 1 1 14 14 ASP H H 14 8.321 8.321 7.977 0.344 19311 2322 1 4 . 1 1 15 15 SER N N 15 115.463 115.463 110.769 4.694 19311 2323 1 4 . 1 1 15 15 SER C C 15 175.991 175.991 175.634 0.357 19311 2324 1 4 . 1 1 15 15 SER CA C 15 58.020 58.020 58.923 -0.903 19311 2325 1 4 . 1 1 15 15 SER CB C 15 63.080 63.080 63.812 -0.732 19311 2326 1 4 . 1 1 15 15 SER H H 15 8.403 8.403 7.868 0.535 19311 2327 1 4 . 1 1 16 16 VAL N N 16 124.538 124.538 119.978 4.560 19311 2328 1 4 . 1 1 16 16 VAL C C 16 176.097 176.097 177.903 -1.806 19311 2329 1 4 . 1 1 16 16 VAL CA C 16 62.750 62.750 65.258 -2.509 19311 2330 1 4 . 1 1 16 16 VAL CB C 16 30.859 30.859 32.496 -1.637 19311 2331 1 4 . 1 1 16 16 VAL H H 16 8.139 8.139 7.374 0.765 19311 2332 1 4 . 1 1 17 17 PHE N N 17 119.242 119.242 117.496 1.746 19311 2333 1 4 . 1 1 17 17 PHE C C 17 176.086 176.086 176.086 0.000 19311 2334 1 4 . 1 1 17 17 PHE CA C 17 58.934 58.934 59.186 -0.252 19311 2335 1 4 . 1 1 17 17 PHE CB C 17 38.133 38.133 37.868 0.265 19311 2336 1 4 . 1 1 17 17 PHE H H 17 7.575 7.575 7.397 0.178 19311 2337 1 4 . 1 1 18 18 LEU N N 18 121.292 121.292 119.021 2.271 19311 2338 1 4 . 1 1 18 18 LEU C C 18 173.871 173.871 176.707 -2.836 19311 2339 1 4 . 1 1 18 18 LEU CA C 18 54.048 54.048 53.940 0.109 19311 2340 1 4 . 1 1 18 18 LEU CB C 18 41.529 41.529 40.526 1.003 19311 2341 1 4 . 1 1 18 18 LEU H H 18 7.586 7.586 7.048 0.538 19311 2342 1 4 . 1 1 19 19 GLN N N 19 128.124 128.124 119.336 8.788 19311 2343 1 4 . 1 1 19 19 GLN CA C 19 53.131 53.131 53.448 -0.317 19311 2344 1 4 . 1 1 19 19 GLN CB C 19 30.299 30.299 27.594 2.705 19311 2345 1 4 . 1 1 19 19 GLN H H 19 8.893 8.893 7.425 1.468 19311 2346 1 4 . 1 1 20 20 PRO C C 20 176.974 176.974 175.912 1.062 19311 2347 1 4 . 1 1 20 20 PRO CA C 20 62.459 62.459 63.209 -0.750 19311 2348 1 4 . 1 1 20 20 PRO CB C 20 29.693 29.693 32.464 -2.771 19311 2349 1 4 . 1 1 21 21 TRP N N 21 126.042 126.042 118.769 7.273 19311 2350 1 4 . 1 1 21 21 TRP C C 21 176.624 176.624 176.850 -0.226 19311 2351 1 4 . 1 1 21 21 TRP CA C 21 58.241 58.241 57.397 0.844 19311 2352 1 4 . 1 1 21 21 TRP CB C 21 31.457 31.457 30.295 1.162 19311 2353 1 4 . 1 1 21 21 TRP H H 21 9.813 9.813 9.196 0.617 19311 2354 1 4 . 1 1 22 22 ILE N N 22 128.281 128.281 123.830 4.451 19311 2355 1 4 . 1 1 22 22 ILE C C 22 176.776 176.776 177.147 -0.371 19311 2356 1 4 . 1 1 22 22 ILE CA C 22 66.628 66.628 65.359 1.269 19311 2357 1 4 . 1 1 22 22 ILE CB C 22 37.455 37.455 37.389 0.066 19311 2358 1 4 . 1 1 22 22 ILE H H 22 8.438 8.438 8.122 0.316 19311 2359 1 4 . 1 1 23 23 LYS N N 23 121.661 121.661 120.814 0.847 19311 2360 1 4 . 1 1 23 23 LYS C C 23 177.812 177.812 177.862 -0.050 19311 2361 1 4 . 1 1 23 23 LYS CA C 23 60.467 60.467 60.118 0.349 19311 2362 1 4 . 1 1 23 23 LYS CB C 23 31.055 31.055 31.967 -0.912 19311 2363 1 4 . 1 1 23 23 LYS H H 23 9.062 9.062 7.663 1.399 19311 2364 1 4 . 1 1 24 24 ALA N N 24 120.454 120.454 121.050 -0.596 19311 2365 1 4 . 1 1 24 24 ALA C C 24 179.285 179.285 179.730 -0.445 19311 2366 1 4 . 1 1 24 24 ALA CA C 24 54.076 54.076 54.459 -0.383 19311 2367 1 4 . 1 1 24 24 ALA CB C 24 17.220 17.220 18.092 -0.872 19311 2368 1 4 . 1 1 24 24 ALA H H 24 8.447 8.447 7.953 0.494 19311 2369 1 4 . 1 1 25 25 LEU N N 25 120.482 120.482 119.891 0.591 19311 2370 1 4 . 1 1 25 25 LEU C C 25 180.269 180.269 178.343 1.926 19311 2371 1 4 . 1 1 25 25 LEU CA C 25 58.102 58.102 57.751 0.351 19311 2372 1 4 . 1 1 25 25 LEU CB C 25 41.636 41.636 41.972 -0.336 19311 2373 1 4 . 1 1 25 25 LEU H H 25 8.071 8.071 7.855 0.216 19311 2374 1 4 . 1 1 26 26 ILE N N 26 119.868 119.868 117.489 2.379 19311 2375 1 4 . 1 1 26 26 ILE C C 26 179.617 179.617 178.001 1.616 19311 2376 1 4 . 1 1 26 26 ILE CA C 26 63.547 63.547 64.861 -1.314 19311 2377 1 4 . 1 1 26 26 ILE CB C 26 35.786 35.786 38.150 -2.364 19311 2378 1 4 . 1 1 26 26 ILE H H 26 8.158 8.158 7.746 0.412 19311 2379 1 4 . 1 1 27 27 GLU N N 27 122.067 122.067 120.744 1.323 19311 2380 1 4 . 1 1 27 27 GLU C C 27 179.103 179.103 178.633 0.470 19311 2381 1 4 . 1 1 27 27 GLU CA C 27 59.138 59.138 59.282 -0.144 19311 2382 1 4 . 1 1 27 27 GLU CB C 27 28.461 28.461 29.238 -0.777 19311 2383 1 4 . 1 1 27 27 GLU H H 27 8.543 8.543 7.748 0.795 19311 2384 1 4 . 1 1 28 28 ASP N N 28 119.228 119.228 117.253 1.975 19311 2385 1 4 . 1 1 28 28 ASP C C 28 176.992 176.992 176.337 0.655 19311 2386 1 4 . 1 1 28 28 ASP CA C 28 55.657 55.657 55.339 0.318 19311 2387 1 4 . 1 1 28 28 ASP CB C 28 40.403 40.403 41.315 -0.912 19311 2388 1 4 . 1 1 28 28 ASP H H 28 8.396 8.396 7.877 0.519 19311 2389 1 4 . 1 1 29 29 ASN N N 29 117.545 117.545 116.012 1.533 19311 2390 1 4 . 1 1 29 29 ASN C C 29 174.277 174.277 174.459 -0.182 19311 2391 1 4 . 1 1 29 29 ASN CA C 29 53.694 53.694 52.190 1.504 19311 2392 1 4 . 1 1 29 29 ASN CB C 29 40.069 40.069 39.246 0.823 19311 2393 1 4 . 1 1 29 29 ASN H H 29 7.536 7.536 7.681 -0.145 19311 2394 1 4 . 1 1 30 30 SER N N 30 115.444 115.444 115.325 0.119 19311 2395 1 4 . 1 1 30 30 SER C C 30 173.942 173.942 175.333 -1.391 19311 2396 1 4 . 1 1 30 30 SER CA C 30 58.804 58.804 60.162 -1.358 19311 2397 1 4 . 1 1 30 30 SER CB C 30 63.838 63.838 63.908 -0.070 19311 2398 1 4 . 1 1 30 30 SER H H 30 7.704 7.704 7.587 0.117 19311 2399 1 4 . 1 1 31 31 GLU N N 31 122.456 122.456 122.850 -0.394 19311 2400 1 4 . 1 1 31 31 GLU C C 31 176.234 176.234 175.931 0.303 19311 2401 1 4 . 1 1 31 31 GLU CA C 31 55.633 55.633 55.458 0.175 19311 2402 1 4 . 1 1 31 31 GLU CB C 31 29.619 29.619 28.044 1.575 19311 2403 1 4 . 1 1 31 31 GLU H H 31 8.287 8.287 8.304 -0.017 19311 2404 1 4 . 1 1 32 32 HIS N N 32 120.953 120.953 120.786 0.167 19311 2405 1 4 . 1 1 32 32 HIS C C 32 174.779 174.779 175.711 -0.932 19311 2406 1 4 . 1 1 32 32 HIS CA C 32 56.355 56.355 58.746 -2.391 19311 2407 1 4 . 1 1 32 32 HIS CB C 32 29.467 29.467 29.489 -0.022 19311 2408 1 4 . 1 1 32 32 HIS H H 32 8.207 8.207 8.037 0.170 19311 2409 1 4 . 1 1 33 33 ASP N N 33 120.471 120.471 117.752 2.719 19311 2410 1 4 . 1 1 33 33 ASP C C 33 175.225 175.225 177.141 -1.916 19311 2411 1 4 . 1 1 33 33 ASP CA C 33 54.277 54.277 56.458 -2.181 19311 2412 1 4 . 1 1 33 33 ASP CB C 33 40.007 40.007 40.542 -0.535 19311 2413 1 4 . 1 1 33 33 ASP H H 33 8.256 8.256 8.523 -0.267 19311 2414 1 4 . 1 1 34 34 GLN N N 34 118.522 118.522 115.790 2.732 19311 2415 1 4 . 1 1 34 34 GLN C C 34 175.275 175.275 176.305 -1.030 19311 2416 1 4 . 1 1 34 34 GLN CA C 34 55.388 55.388 55.631 -0.243 19311 2417 1 4 . 1 1 34 34 GLN CB C 34 28.586 28.586 31.061 -2.475 19311 2418 1 4 . 1 1 34 34 GLN H H 34 7.854 7.854 7.732 0.122 19311 2419 1 4 . 1 1 35 35 TYR N N 35 120.831 120.831 122.553 -1.722 19311 2420 1 4 . 1 1 35 35 TYR C C 35 174.882 174.882 174.820 0.062 19311 2421 1 4 . 1 1 35 35 TYR CA C 35 56.752 56.752 58.414 -1.662 19311 2422 1 4 . 1 1 35 35 TYR CB C 35 36.712 36.712 39.231 -2.519 19311 2423 1 4 . 1 1 35 35 TYR H H 35 8.072 8.072 8.039 0.033 19311 2424 1 4 . 1 1 36 36 HIS N N 36 121.429 121.429 127.255 -5.826 19311 2425 1 4 . 1 1 36 36 HIS CA C 36 53.280 53.280 56.683 -3.403 19311 2426 1 4 . 1 1 36 36 HIS CB C 36 29.223 29.223 30.258 -1.035 19311 2427 1 4 . 1 1 36 36 HIS H H 36 7.788 7.788 8.106 -0.318 19311 2428 1 4 . 1 1 37 37 PRO C C 37 177.021 177.021 176.825 0.196 19311 2429 1 4 . 1 1 37 37 PRO CA C 37 62.947 62.947 65.524 -2.577 19311 2430 1 4 . 1 1 37 37 PRO CB C 37 31.735 31.735 32.293 -0.558 19311 2431 1 4 . 1 1 38 38 SER N N 38 117.550 117.550 111.067 6.483 19311 2432 1 4 . 1 1 38 38 SER C C 38 174.281 174.281 173.887 0.394 19311 2433 1 4 . 1 1 38 38 SER CA C 38 57.494 57.494 57.098 0.396 19311 2434 1 4 . 1 1 38 38 SER CB C 38 63.795 63.795 64.097 -0.302 19311 2435 1 4 . 1 1 38 38 SER H H 38 8.808 8.808 8.581 0.227 19311 2436 1 4 . 1 1 39 39 GLY N N 39 113.547 113.547 110.102 3.445 19311 2437 1 4 . 1 1 39 39 GLY C C 39 173.690 173.690 173.334 0.356 19311 2438 1 4 . 1 1 39 39 GLY CA C 39 44.463 44.463 45.756 -1.293 19311 2439 1 4 . 1 1 39 39 GLY H H 39 8.564 8.564 7.603 0.961 19311 2440 1 4 . 1 1 40 40 HIS N N 40 121.529 121.529 124.712 -3.183 19311 2441 1 4 . 1 1 40 40 HIS C C 40 175.794 175.794 175.227 0.567 19311 2442 1 4 . 1 1 40 40 HIS CA C 40 55.796 55.796 57.578 -1.782 19311 2443 1 4 . 1 1 40 40 HIS CB C 40 26.887 26.887 30.774 -3.887 19311 2444 1 4 . 1 1 40 40 HIS H H 40 9.071 9.071 8.615 0.456 19311 2445 1 4 . 1 1 41 41 VAL N N 41 115.423 115.423 126.561 -11.138 19311 2446 1 4 . 1 1 41 41 VAL C C 41 176.247 176.247 175.739 0.508 19311 2447 1 4 . 1 1 41 41 VAL CA C 41 62.424 62.424 62.905 -0.481 19311 2448 1 4 . 1 1 41 41 VAL CB C 41 31.201 31.201 33.819 -2.618 19311 2449 1 4 . 1 1 41 41 VAL H H 41 8.201 8.201 7.996 0.205 19311 2450 1 4 . 1 1 42 42 ILE N N 42 120.213 120.213 119.883 0.330 19311 2451 1 4 . 1 1 42 42 ILE CA C 42 58.655 58.655 58.419 0.236 19311 2452 1 4 . 1 1 42 42 ILE CB C 42 39.579 39.579 38.187 1.392 19311 2453 1 4 . 1 1 42 42 ILE H H 42 7.305 7.305 7.583 -0.278 19311 2454 1 4 . 1 1 43 43 PRO C C 43 177.076 177.076 177.129 -0.053 19311 2455 1 4 . 1 1 43 43 PRO CA C 43 62.446 62.446 63.127 -0.681 19311 2456 1 4 . 1 1 43 43 PRO CB C 43 32.486 32.486 32.181 0.305 19311 2457 1 4 . 1 1 44 44 SER N N 44 116.530 116.530 116.338 0.192 19311 2458 1 4 . 1 1 44 44 SER C C 44 173.398 173.398 173.900 -0.502 19311 2459 1 4 . 1 1 44 44 SER CA C 44 57.636 57.636 59.664 -2.028 19311 2460 1 4 . 1 1 44 44 SER CB C 44 63.032 63.032 63.602 -0.570 19311 2461 1 4 . 1 1 44 44 SER H H 44 8.436 8.436 8.566 -0.130 19311 2462 1 4 . 1 1 45 45 LEU N N 45 127.441 127.441 123.503 3.938 19311 2463 1 4 . 1 1 45 45 LEU C C 45 178.103 178.103 177.134 0.969 19311 2464 1 4 . 1 1 45 45 LEU CA C 45 52.534 52.534 53.452 -0.918 19311 2465 1 4 . 1 1 45 45 LEU CB C 45 42.737 42.737 45.021 -2.284 19311 2466 1 4 . 1 1 45 45 LEU H H 45 9.947 9.947 8.156 1.791 19311 2467 1 4 . 1 1 46 46 THR N N 46 114.571 114.571 111.692 2.879 19311 2468 1 4 . 1 1 46 46 THR C C 46 175.217 175.217 175.630 -0.413 19311 2469 1 4 . 1 1 46 46 THR CA C 46 60.441 60.441 60.006 0.435 19311 2470 1 4 . 1 1 46 46 THR CB C 46 71.156 71.156 71.568 -0.412 19311 2471 1 4 . 1 1 46 46 THR H H 46 9.328 9.328 8.932 0.396 19311 2472 1 4 . 1 1 47 47 LYS N N 47 120.404 120.404 121.534 -1.130 19311 2473 1 4 . 1 1 47 47 LYS C C 47 179.434 179.434 178.563 0.871 19311 2474 1 4 . 1 1 47 47 LYS CA C 47 59.340 59.340 60.261 -0.921 19311 2475 1 4 . 1 1 47 47 LYS CB C 47 30.960 30.960 32.263 -1.303 19311 2476 1 4 . 1 1 47 47 LYS H H 47 8.690 8.690 8.723 -0.033 19311 2477 1 4 . 1 1 48 48 GLN N N 48 119.487 119.487 117.432 2.055 19311 2478 1 4 . 1 1 48 48 GLN C C 48 178.691 178.691 178.351 0.340 19311 2479 1 4 . 1 1 48 48 GLN CA C 48 58.356 58.356 59.039 -0.683 19311 2480 1 4 . 1 1 48 48 GLN CB C 48 27.365 27.365 28.439 -1.074 19311 2481 1 4 . 1 1 48 48 GLN H H 48 8.082 8.082 8.420 -0.338 19311 2482 1 4 . 1 1 49 49 ASP N N 49 122.541 122.541 120.929 1.612 19311 2483 1 4 . 1 1 49 49 ASP C C 49 175.759 175.759 178.545 -2.786 19311 2484 1 4 . 1 1 49 49 ASP CA C 49 57.516 57.516 57.067 0.449 19311 2485 1 4 . 1 1 49 49 ASP CB C 49 41.147 41.147 40.557 0.590 19311 2486 1 4 . 1 1 49 49 ASP H H 49 7.743 7.743 7.927 -0.184 19311 2487 1 4 . 1 1 50 50 LEU N N 50 113.803 113.803 119.345 -5.542 19311 2488 1 4 . 1 1 50 50 LEU C C 50 178.243 178.243 179.659 -1.416 19311 2489 1 4 . 1 1 50 50 LEU CA C 50 56.063 56.063 57.502 -1.439 19311 2490 1 4 . 1 1 50 50 LEU CB C 50 41.162 41.162 41.806 -0.645 19311 2491 1 4 . 1 1 50 50 LEU H H 50 7.307 7.307 8.288 -0.981 19311 2492 1 4 . 1 1 51 51 ALA N N 51 120.417 120.417 122.582 -2.165 19311 2493 1 4 . 1 1 51 51 ALA C C 51 178.660 178.660 178.172 0.488 19311 2494 1 4 . 1 1 51 51 ALA CA C 51 53.718 53.718 54.493 -0.775 19311 2495 1 4 . 1 1 51 51 ALA CB C 51 18.193 18.193 19.369 -1.176 19311 2496 1 4 . 1 1 51 51 ALA H H 51 7.677 7.677 7.821 -0.144 19311 2497 1 4 . 1 1 52 52 LEU N N 52 116.642 116.642 118.500 -1.858 19311 2498 1 4 . 1 1 52 52 LEU CA C 52 51.307 51.307 52.190 -0.883 19311 2499 1 4 . 1 1 52 52 LEU CB C 52 42.099 42.099 42.422 -0.323 19311 2500 1 4 . 1 1 52 52 LEU H H 52 6.992 6.992 7.928 -0.936 19311 2501 1 4 . 1 1 53 53 PRO C C 53 177.594 177.594 177.836 -0.242 19311 2502 1 4 . 1 1 53 53 PRO CA C 53 65.466 65.466 65.043 0.423 19311 2503 1 4 . 1 1 53 53 PRO CB C 53 31.761 31.761 31.842 -0.081 19311 2504 1 4 . 1 1 54 54 HIS N N 54 112.752 112.752 111.526 1.226 19311 2505 1 4 . 1 1 54 54 HIS C C 54 175.187 175.187 174.620 0.567 19311 2506 1 4 . 1 1 54 54 HIS CA C 54 57.695 57.695 57.085 0.610 19311 2507 1 4 . 1 1 54 54 HIS CB C 54 28.716 28.716 28.165 0.551 19311 2508 1 4 . 1 1 54 54 HIS H H 54 8.274 8.274 8.601 -0.327 19311 2509 1 4 . 1 1 55 55 MET N N 55 116.326 116.326 117.819 -1.493 19311 2510 1 4 . 1 1 55 55 MET C C 55 175.522 175.522 175.898 -0.376 19311 2511 1 4 . 1 1 55 55 MET CA C 55 53.185 53.185 54.342 -1.157 19311 2512 1 4 . 1 1 55 55 MET CB C 55 32.240 32.240 32.626 -0.386 19311 2513 1 4 . 1 1 55 55 MET H H 55 7.254 7.254 7.342 -0.088 19311 2514 1 4 . 1 1 56 56 SER N N 56 116.685 116.685 116.619 0.066 19311 2515 1 4 . 1 1 56 56 SER CA C 56 54.269 54.269 54.420 -0.151 19311 2516 1 4 . 1 1 56 56 SER CB C 56 63.227 63.227 64.471 -1.244 19311 2517 1 4 . 1 1 56 56 SER H H 56 7.038 7.038 7.537 -0.499 19311 2518 1 4 . 1 1 57 57 PRO C C 57 178.714 178.714 177.897 0.817 19311 2519 1 4 . 1 1 57 57 PRO CA C 57 64.333 64.333 65.269 -0.936 19311 2520 1 4 . 1 1 57 57 PRO CB C 57 31.044 31.044 31.940 -0.896 19311 2521 1 4 . 1 1 58 58 THR N N 58 115.440 115.440 108.777 6.663 19311 2522 1 4 . 1 1 58 58 THR C C 58 175.811 175.811 175.107 0.704 19311 2523 1 4 . 1 1 58 58 THR CA C 58 65.411 65.411 64.357 1.054 19311 2524 1 4 . 1 1 58 58 THR CB C 58 68.208 68.208 68.318 -0.110 19311 2525 1 4 . 1 1 58 58 THR H H 58 7.560 7.560 7.753 -0.193 19311 2526 1 4 . 1 1 59 59 ILE N N 59 122.823 122.823 119.017 3.806 19311 2527 1 4 . 1 1 59 59 ILE C C 59 176.672 176.672 177.859 -1.187 19311 2528 1 4 . 1 1 59 59 ILE CA C 59 64.230 64.230 62.554 1.676 19311 2529 1 4 . 1 1 59 59 ILE CB C 59 37.283 37.283 39.044 -1.761 19311 2530 1 4 . 1 1 59 59 ILE H H 59 7.182 7.182 7.545 -0.363 19311 2531 1 4 . 1 1 60 60 LEU N N 60 113.853 113.853 120.887 -7.034 19311 2532 1 4 . 1 1 60 60 LEU C C 60 179.288 179.288 178.120 1.168 19311 2533 1 4 . 1 1 60 60 LEU CA C 60 56.589 56.589 58.247 -1.658 19311 2534 1 4 . 1 1 60 60 LEU CB C 60 40.734 40.734 41.982 -1.248 19311 2535 1 4 . 1 1 60 60 LEU H H 60 7.894 7.894 8.343 -0.449 19311 2536 1 4 . 1 1 61 61 THR N N 61 107.267 107.267 105.653 1.614 19311 2537 1 4 . 1 1 61 61 THR C C 61 173.987 173.987 174.415 -0.428 19311 2538 1 4 . 1 1 61 61 THR CA C 61 61.516 61.516 61.711 -0.195 19311 2539 1 4 . 1 1 61 61 THR CB C 61 69.919 69.919 69.056 0.862 19311 2540 1 4 . 1 1 61 61 THR H H 61 7.427 7.427 7.930 -0.503 19311 2541 1 4 . 1 1 62 62 ASN N N 62 121.377 121.377 120.642 0.735 19311 2542 1 4 . 1 1 62 62 ASN CA C 62 49.977 49.977 50.733 -0.756 19311 2543 1 4 . 1 1 62 62 ASN CB C 62 39.885 39.885 41.637 -1.752 19311 2544 1 4 . 1 1 62 62 ASN H H 62 7.368 7.368 7.786 -0.418 19311 2545 1 4 . 1 1 63 63 PRO C C 63 176.868 176.868 178.133 -1.265 19311 2546 1 4 . 1 1 63 63 PRO CA C 63 64.130 64.130 64.531 -0.401 19311 2547 1 4 . 1 1 63 63 PRO CB C 63 32.275 32.275 32.342 -0.066 19311 2548 1 4 . 1 1 64 64 CYS N N 64 113.208 113.208 113.570 -0.362 19311 2549 1 4 . 1 1 64 64 CYS C C 64 170.205 170.205 174.737 -4.532 19311 2550 1 4 . 1 1 64 64 CYS CA C 64 56.943 56.943 59.602 -2.659 19311 2551 1 4 . 1 1 64 64 CYS CB C 64 26.242 26.242 26.393 -0.151 19311 2552 1 4 . 1 1 64 64 CYS H H 64 7.072 7.072 7.875 -0.803 19311 2553 1 4 . 1 1 65 65 HIS N N 65 108.987 108.987 117.415 -8.428 19311 2554 1 4 . 1 1 65 65 HIS C C 65 174.303 174.303 173.919 0.384 19311 2555 1 4 . 1 1 65 65 HIS CA C 65 56.141 56.141 57.414 -1.273 19311 2556 1 4 . 1 1 65 65 HIS CB C 65 28.565 28.565 30.182 -1.617 19311 2557 1 4 . 1 1 65 65 HIS H H 65 6.651 6.651 7.295 -0.644 19311 2558 1 4 . 1 1 66 66 PHE N N 66 116.823 116.823 120.440 -3.617 19311 2559 1 4 . 1 1 66 66 PHE C C 66 174.308 174.308 173.854 0.454 19311 2560 1 4 . 1 1 66 66 PHE CA C 66 56.990 56.990 57.246 -0.256 19311 2561 1 4 . 1 1 66 66 PHE CB C 66 41.535 41.535 41.352 0.183 19311 2562 1 4 . 1 1 66 66 PHE H H 66 7.548 7.548 7.728 -0.180 19311 2563 1 4 . 1 1 67 67 ALA N N 67 119.242 119.242 124.692 -5.450 19311 2564 1 4 . 1 1 67 67 ALA C C 67 175.495 175.495 175.541 -0.046 19311 2565 1 4 . 1 1 67 67 ALA CA C 67 50.842 50.842 50.964 -0.122 19311 2566 1 4 . 1 1 67 67 ALA CB C 67 24.144 24.144 23.075 1.069 19311 2567 1 4 . 1 1 67 67 ALA H H 67 8.646 8.646 9.233 -0.587 19311 2568 1 4 . 1 1 68 68 LYS N N 68 118.338 118.338 123.530 -5.192 19311 2569 1 4 . 1 1 68 68 LYS C C 68 176.011 176.011 175.662 0.349 19311 2570 1 4 . 1 1 68 68 LYS CA C 68 54.557 54.557 54.636 -0.079 19311 2571 1 4 . 1 1 68 68 LYS CB C 68 34.575 34.575 33.891 0.685 19311 2572 1 4 . 1 1 68 68 LYS H H 68 8.373 8.373 8.567 -0.194 19311 2573 1 4 . 1 1 69 69 ILE N N 69 126.321 126.321 127.572 -1.251 19311 2574 1 4 . 1 1 69 69 ILE C C 69 176.711 176.711 176.600 0.111 19311 2575 1 4 . 1 1 69 69 ILE CA C 69 61.581 61.581 62.100 -0.519 19311 2576 1 4 . 1 1 69 69 ILE CB C 69 37.161 37.161 37.762 -0.601 19311 2577 1 4 . 1 1 69 69 ILE H H 69 9.660 9.660 8.951 0.709 19311 2578 1 4 . 1 1 70 70 THR N N 70 118.154 118.154 118.571 -0.417 19311 2579 1 4 . 1 1 70 70 THR C C 70 175.076 175.076 174.296 0.780 19311 2580 1 4 . 1 1 70 70 THR CA C 70 60.883 60.883 61.688 -0.805 19311 2581 1 4 . 1 1 70 70 THR CB C 70 68.643 68.643 71.126 -2.483 19311 2582 1 4 . 1 1 70 70 THR H H 70 8.785 8.785 8.734 0.051 19311 2583 1 4 . 1 1 71 71 LYS N N 71 122.877 122.877 119.873 3.004 19311 2584 1 4 . 1 1 71 71 LYS C C 71 173.355 173.355 173.453 -0.098 19311 2585 1 4 . 1 1 71 71 LYS CA C 71 56.459 56.459 56.694 -0.235 19311 2586 1 4 . 1 1 71 71 LYS CB C 71 34.142 34.142 34.375 -0.233 19311 2587 1 4 . 1 1 71 71 LYS H H 71 7.088 7.088 7.386 -0.298 19311 2588 1 4 . 1 1 72 72 PHE N N 72 122.143 122.143 120.783 1.360 19311 2589 1 4 . 1 1 72 72 PHE C C 72 175.071 175.071 174.462 0.609 19311 2590 1 4 . 1 1 72 72 PHE CA C 72 57.980 57.980 55.617 2.363 19311 2591 1 4 . 1 1 72 72 PHE CB C 72 39.359 39.359 40.625 -1.266 19311 2592 1 4 . 1 1 72 72 PHE H H 72 8.530 8.530 8.029 0.501 19311 2593 1 4 . 1 1 73 73 TYR N N 73 123.208 123.208 119.656 3.552 19311 2594 1 4 . 1 1 73 73 TYR C C 73 176.295 176.295 175.574 0.721 19311 2595 1 4 . 1 1 73 73 TYR CA C 73 60.464 60.464 59.935 0.529 19311 2596 1 4 . 1 1 73 73 TYR CB C 73 39.634 39.634 39.855 -0.221 19311 2597 1 4 . 1 1 73 73 TYR H H 73 9.437 9.437 9.056 0.381 19311 2598 1 4 . 1 1 74 74 ASN N N 74 113.786 113.786 114.689 -0.903 19311 2599 1 4 . 1 1 74 74 ASN C C 74 172.652 172.652 172.813 -0.161 19311 2600 1 4 . 1 1 74 74 ASN CA C 74 52.675 52.675 53.096 -0.421 19311 2601 1 4 . 1 1 74 74 ASN CB C 74 39.801 39.801 41.710 -1.909 19311 2602 1 4 . 1 1 74 74 ASN H H 74 7.993 7.993 7.895 0.098 19311 2603 1 4 . 1 1 75 75 VAL N N 75 124.913 124.913 116.157 8.756 19311 2604 1 4 . 1 1 75 75 VAL C C 75 175.179 175.179 174.452 0.727 19311 2605 1 4 . 1 1 75 75 VAL CA C 75 61.422 61.422 59.946 1.476 19311 2606 1 4 . 1 1 75 75 VAL CB C 75 33.185 33.185 35.128 -1.943 19311 2607 1 4 . 1 1 75 75 VAL H H 75 7.721 7.721 8.510 -0.789 19311 2608 1 4 . 1 1 76 76 CYS N N 76 125.698 125.698 122.263 3.435 19311 2609 1 4 . 1 1 76 76 CYS CA C 76 57.694 57.694 58.921 -1.227 19311 2610 1 4 . 1 1 76 76 CYS CB C 76 27.993 27.993 30.576 -2.583 19311 2611 1 4 . 1 1 76 76 CYS H H 76 8.677 8.677 8.687 -0.010 19311 2612 1 4 . 1 1 78 78 TYR N N 78 109.730 109.730 110.555 -0.825 19311 2613 1 4 . 1 1 78 78 TYR C C 78 173.592 173.592 174.459 -0.867 19311 2614 1 4 . 1 1 78 78 TYR CA C 78 60.078 60.078 58.902 1.176 19311 2615 1 4 . 1 1 78 78 TYR CB C 78 35.627 35.627 35.878 -0.251 19311 2616 1 4 . 1 1 78 78 TYR H H 78 8.215 8.215 8.128 0.087 19311 2617 1 4 . 1 1 79 79 LYS N N 79 119.181 119.181 117.709 1.472 19311 2618 1 4 . 1 1 79 79 LYS C C 79 175.198 175.198 174.653 0.545 19311 2619 1 4 . 1 1 79 79 LYS CA C 79 55.243 55.243 54.534 0.709 19311 2620 1 4 . 1 1 79 79 LYS CB C 79 33.522 33.522 36.654 -3.132 19311 2621 1 4 . 1 1 79 79 LYS H H 79 7.695 7.695 7.616 0.079 19311 2622 1 4 . 1 1 80 80 VAL N N 80 118.700 118.700 119.373 -0.673 19311 2623 1 4 . 1 1 80 80 VAL C C 80 172.953 172.953 173.380 -0.427 19311 2624 1 4 . 1 1 80 80 VAL CA C 80 61.093 61.093 59.798 1.295 19311 2625 1 4 . 1 1 80 80 VAL CB C 80 34.048 34.048 35.078 -1.030 19311 2626 1 4 . 1 1 80 80 VAL H H 80 7.478 7.478 7.726 -0.248 19311 2627 1 4 . 1 1 81 81 TYR N N 81 128.065 128.065 126.454 1.611 19311 2628 1 4 . 1 1 81 81 TYR C C 81 175.948 175.948 174.543 1.405 19311 2629 1 4 . 1 1 81 81 TYR CA C 81 57.836 57.836 56.030 1.806 19311 2630 1 4 . 1 1 81 81 TYR CB C 81 37.594 37.594 40.401 -2.807 19311 2631 1 4 . 1 1 81 81 TYR H H 81 8.851 8.851 8.844 0.007 19311 2632 1 4 . 1 1 82 82 ALA N N 82 130.227 130.227 125.263 4.964 19311 2633 1 4 . 1 1 82 82 ALA C C 82 174.291 174.291 175.476 -1.185 19311 2634 1 4 . 1 1 82 82 ALA CA C 82 51.702 51.702 51.201 0.501 19311 2635 1 4 . 1 1 82 82 ALA CB C 82 24.004 24.004 22.903 1.101 19311 2636 1 4 . 1 1 82 82 ALA H H 82 9.673 9.673 9.554 0.119 19311 2637 1 4 . 1 1 83 83 SER N N 83 112.455 112.455 113.609 -1.154 19311 2638 1 4 . 1 1 83 83 SER C C 83 175.055 175.055 173.689 1.366 19311 2639 1 4 . 1 1 83 83 SER CA C 83 56.656 56.656 57.480 -0.824 19311 2640 1 4 . 1 1 83 83 SER CB C 83 65.405 65.405 65.945 -0.540 19311 2641 1 4 . 1 1 83 83 SER H H 83 8.975 8.975 8.822 0.153 19311 2642 1 4 . 1 1 84 84 ILE N N 84 115.288 115.288 118.402 -3.114 19311 2643 1 4 . 1 1 84 84 ILE C C 84 173.569 173.569 174.022 -0.453 19311 2644 1 4 . 1 1 84 84 ILE CA C 84 57.822 57.822 58.619 -0.797 19311 2645 1 4 . 1 1 84 84 ILE CB C 84 41.310 41.310 42.761 -1.451 19311 2646 1 4 . 1 1 84 84 ILE H H 84 8.657 8.657 9.238 -0.581 19311 2647 1 4 . 1 1 85 85 ARG N N 85 116.138 116.138 117.946 -1.808 19311 2648 1 4 . 1 1 85 85 ARG C C 85 174.594 174.594 174.343 0.251 19311 2649 1 4 . 1 1 85 85 ARG CA C 85 52.721 52.721 54.851 -2.130 19311 2650 1 4 . 1 1 85 85 ARG CB C 85 33.188 33.188 34.245 -1.057 19311 2651 1 4 . 1 1 85 85 ARG H H 85 9.306 9.306 8.860 0.446 19311 2652 1 4 . 1 1 86 86 ASP N N 86 121.622 121.622 118.685 2.937 19311 2653 1 4 . 1 1 86 86 ASP C C 86 175.804 175.804 176.072 -0.268 19311 2654 1 4 . 1 1 86 86 ASP CA C 86 51.666 51.666 52.701 -1.035 19311 2655 1 4 . 1 1 86 86 ASP CB C 86 38.969 38.969 41.752 -2.783 19311 2656 1 4 . 1 1 86 86 ASP H H 86 7.506 7.506 8.034 -0.528 19311 2657 1 4 . 1 1 87 87 SER N N 87 109.487 109.487 115.906 -6.419 19311 2658 1 4 . 1 1 87 87 SER C C 87 174.343 174.343 175.193 -0.850 19311 2659 1 4 . 1 1 87 87 SER CA C 87 59.775 59.775 60.657 -0.882 19311 2660 1 4 . 1 1 87 87 SER CB C 87 62.824 62.824 63.547 -0.723 19311 2661 1 4 . 1 1 87 87 SER H H 87 6.452 6.452 8.610 -2.158 19311 2662 1 4 . 1 1 88 88 SER N N 88 117.714 117.714 116.486 1.228 19311 2663 1 4 . 1 1 88 88 SER C C 88 172.322 172.322 174.032 -1.710 19311 2664 1 4 . 1 1 88 88 SER CA C 88 60.625 60.625 58.586 2.039 19311 2665 1 4 . 1 1 88 88 SER CB C 88 66.392 66.392 63.902 2.490 19311 2666 1 4 . 1 1 88 88 SER H H 88 8.852 8.852 8.166 0.686 19311 2667 1 4 . 1 1 89 89 HIS N N 89 121.987 121.987 119.596 2.391 19311 2668 1 4 . 1 1 89 89 HIS C C 89 173.253 173.253 174.377 -1.124 19311 2669 1 4 . 1 1 89 89 HIS CA C 89 55.530 55.530 54.533 0.996 19311 2670 1 4 . 1 1 89 89 HIS CB C 89 36.622 36.622 31.968 4.654 19311 2671 1 4 . 1 1 89 89 HIS H H 89 9.568 9.568 8.311 1.257 19311 2672 1 4 . 1 1 90 90 GLN N N 90 112.816 112.816 117.262 -4.446 19311 2673 1 4 . 1 1 90 90 GLN C C 90 175.640 175.640 174.622 1.018 19311 2674 1 4 . 1 1 90 90 GLN CA C 90 53.060 53.060 55.212 -2.152 19311 2675 1 4 . 1 1 90 90 GLN CB C 90 32.977 32.977 31.494 1.483 19311 2676 1 4 . 1 1 90 90 GLN H H 90 7.942 7.942 8.674 -0.732 19311 2677 1 4 . 1 1 91 91 ILE N N 91 119.354 119.354 118.183 1.171 19311 2678 1 4 . 1 1 91 91 ILE C C 91 172.309 172.309 173.335 -1.026 19311 2679 1 4 . 1 1 91 91 ILE CA C 91 61.019 61.019 60.623 0.396 19311 2680 1 4 . 1 1 91 91 ILE CB C 91 41.077 41.077 42.049 -0.972 19311 2681 1 4 . 1 1 91 91 ILE H H 91 8.937 8.937 8.806 0.131 19311 2682 1 4 . 1 1 92 92 LEU N N 92 125.414 125.414 128.014 -2.600 19311 2683 1 4 . 1 1 92 92 LEU C C 92 175.848 175.848 175.434 0.414 19311 2684 1 4 . 1 1 92 92 LEU CA C 92 55.084 55.084 55.696 -0.612 19311 2685 1 4 . 1 1 92 92 LEU CB C 92 40.637 40.637 42.251 -1.614 19311 2686 1 4 . 1 1 92 92 LEU H H 92 7.192 7.192 8.654 -1.462 19311 2687 1 4 . 1 1 93 93 VAL N N 93 116.666 116.666 121.597 -4.931 19311 2688 1 4 . 1 1 93 93 VAL C C 93 173.013 173.013 173.586 -0.573 19311 2689 1 4 . 1 1 93 93 VAL CA C 93 58.637 58.637 59.574 -0.937 19311 2690 1 4 . 1 1 93 93 VAL CB C 93 35.844 35.844 35.630 0.214 19311 2691 1 4 . 1 1 93 93 VAL H H 93 9.225 9.225 9.443 -0.218 19311 2692 1 4 . 1 1 94 94 GLU N N 94 124.248 124.248 124.359 -0.111 19311 2693 1 4 . 1 1 94 94 GLU CA C 94 53.418 53.418 53.781 -0.362 19311 2694 1 4 . 1 1 94 94 GLU CB C 94 32.133 32.133 32.889 -0.756 19311 2695 1 4 . 1 1 94 94 GLU H H 94 8.549 8.549 8.914 -0.365 19311 2696 1 4 . 1 1 95 95 PHE C C 95 175.472 175.472 176.154 -0.682 19311 2697 1 4 . 1 1 95 95 PHE CA C 95 56.710 56.710 56.502 0.208 19311 2698 1 4 . 1 1 95 95 PHE CB C 95 38.774 38.774 41.260 -2.486 19311 2699 1 4 . 1 1 96 96 SER N N 96 119.651 119.651 119.145 0.506 19311 2700 1 4 . 1 1 96 96 SER C C 96 173.024 173.024 175.665 -2.641 19311 2701 1 4 . 1 1 96 96 SER CA C 96 57.233 57.233 57.126 0.108 19311 2702 1 4 . 1 1 96 96 SER CB C 96 65.249 65.249 65.415 -0.166 19311 2703 1 4 . 1 1 96 96 SER H H 96 8.203 8.203 8.830 -0.627 19311 2704 1 4 . 1 1 97 97 GLN N N 97 120.894 120.894 122.715 -1.821 19311 2705 1 4 . 1 1 97 97 GLN C C 97 179.424 179.424 177.742 1.682 19311 2706 1 4 . 1 1 97 97 GLN CA C 97 58.799 58.799 60.033 -1.234 19311 2707 1 4 . 1 1 97 97 GLN CB C 97 26.863 26.863 28.342 -1.479 19311 2708 1 4 . 1 1 97 97 GLN H H 97 8.949 8.949 8.942 0.007 19311 2709 1 4 . 1 1 98 98 GLU N N 98 121.467 121.467 119.751 1.716 19311 2710 1 4 . 1 1 98 98 GLU C C 98 177.401 177.401 177.940 -0.539 19311 2711 1 4 . 1 1 98 98 GLU CA C 98 59.056 59.056 59.533 -0.477 19311 2712 1 4 . 1 1 98 98 GLU CB C 98 28.654 28.654 29.256 -0.602 19311 2713 1 4 . 1 1 98 98 GLU H H 98 8.759 8.759 8.270 0.489 19311 2714 1 4 . 1 1 99 99 CYS N N 99 122.363 122.363 119.045 3.318 19311 2715 1 4 . 1 1 99 99 CYS C C 99 178.667 178.667 177.263 1.404 19311 2716 1 4 . 1 1 99 99 CYS CA C 99 61.683 61.683 63.080 -1.397 19311 2717 1 4 . 1 1 99 99 CYS CB C 99 27.002 27.002 26.485 0.517 19311 2718 1 4 . 1 1 99 99 CYS H H 99 8.194 8.194 7.904 0.290 19311 2719 1 4 . 1 1 100 100 VAL N N 100 120.067 120.067 120.137 -0.070 19311 2720 1 4 . 1 1 100 100 VAL C C 100 178.191 178.191 178.072 0.119 19311 2721 1 4 . 1 1 100 100 VAL CA C 100 66.503 66.503 66.905 -0.402 19311 2722 1 4 . 1 1 100 100 VAL CB C 100 31.299 31.299 31.581 -0.282 19311 2723 1 4 . 1 1 100 100 VAL H H 100 8.584 8.584 8.281 0.303 19311 2724 1 4 . 1 1 101 101 SER N N 101 117.155 117.155 116.521 0.634 19311 2725 1 4 . 1 1 101 101 SER C C 101 177.930 177.930 176.748 1.182 19311 2726 1 4 . 1 1 101 101 SER CA C 101 61.182 61.182 61.959 -0.777 19311 2727 1 4 . 1 1 101 101 SER CB C 101 62.112 62.112 63.064 -0.952 19311 2728 1 4 . 1 1 101 101 SER H H 101 8.685 8.685 8.622 0.063 19311 2729 1 4 . 1 1 102 102 ASN N N 102 120.931 120.931 120.458 0.473 19311 2730 1 4 . 1 1 102 102 ASN C C 102 178.047 178.047 177.490 0.557 19311 2731 1 4 . 1 1 102 102 ASN CA C 102 56.108 56.108 55.916 0.192 19311 2732 1 4 . 1 1 102 102 ASN CB C 102 37.456 37.456 38.149 -0.693 19311 2733 1 4 . 1 1 102 102 ASN H H 102 8.638 8.638 8.048 0.590 19311 2734 1 4 . 1 1 103 103 PHE N N 103 124.907 124.907 122.115 2.792 19311 2735 1 4 . 1 1 103 103 PHE C C 103 177.886 177.886 177.710 0.176 19311 2736 1 4 . 1 1 103 103 PHE CA C 103 61.734 61.734 61.561 0.173 19311 2737 1 4 . 1 1 103 103 PHE CB C 103 38.976 38.976 39.247 -0.271 19311 2738 1 4 . 1 1 103 103 PHE H H 103 8.495 8.495 8.773 -0.278 19311 2739 1 4 . 1 1 104 104 GLU N N 104 120.930 120.930 119.712 1.218 19311 2740 1 4 . 1 1 104 104 GLU C C 104 180.036 180.036 179.332 0.704 19311 2741 1 4 . 1 1 104 104 GLU CA C 104 59.070 59.070 59.049 0.021 19311 2742 1 4 . 1 1 104 104 GLU CB C 104 28.323 28.323 29.719 -1.396 19311 2743 1 4 . 1 1 104 104 GLU H H 104 8.614 8.614 8.491 0.123 19311 2744 1 4 . 1 1 105 105 ARG N N 105 119.201 119.201 117.878 1.323 19311 2745 1 4 . 1 1 105 105 ARG C C 105 178.097 178.097 178.247 -0.150 19311 2746 1 4 . 1 1 105 105 ARG CA C 105 58.179 58.179 58.957 -0.778 19311 2747 1 4 . 1 1 105 105 ARG CB C 105 29.305 29.305 30.389 -1.084 19311 2748 1 4 . 1 1 105 105 ARG H H 105 7.976 7.976 8.065 -0.089 19311 2749 1 4 . 1 1 106 106 THR N N 106 114.725 114.725 108.544 6.181 19311 2750 1 4 . 1 1 106 106 THR C C 106 175.323 175.323 175.650 -0.327 19311 2751 1 4 . 1 1 106 106 THR CA C 106 65.164 65.164 64.150 1.014 19311 2752 1 4 . 1 1 106 106 THR CB C 106 68.964 68.964 69.311 -0.347 19311 2753 1 4 . 1 1 106 106 THR H H 106 7.744 7.744 7.472 0.272 19311 2754 1 4 . 1 1 107 107 HIS N N 107 116.911 116.911 117.818 -0.907 19311 2755 1 4 . 1 1 107 107 HIS C C 107 174.769 174.769 174.317 0.452 19311 2756 1 4 . 1 1 107 107 HIS CA C 107 56.636 56.636 56.996 -0.360 19311 2757 1 4 . 1 1 107 107 HIS CB C 107 29.833 29.833 30.649 -0.816 19311 2758 1 4 . 1 1 107 107 HIS H H 107 8.033 8.033 7.711 0.322 19311 2759 1 4 . 1 1 108 108 ASN N N 108 118.204 118.204 117.072 1.132 19311 2760 1 4 . 1 1 108 108 ASN C C 108 173.328 173.328 174.160 -0.832 19311 2761 1 4 . 1 1 108 108 ASN CA C 108 53.859 53.859 54.626 -0.767 19311 2762 1 4 . 1 1 108 108 ASN CB C 108 36.623 36.623 36.199 0.424 19311 2763 1 4 . 1 1 108 108 ASN H H 108 8.135 8.135 8.312 -0.177 19311 2764 1 4 . 1 1 109 109 CYS N N 109 111.643 111.643 112.200 -0.557 19311 2765 1 4 . 1 1 109 109 CYS C C 109 171.934 171.934 173.425 -1.491 19311 2766 1 4 . 1 1 109 109 CYS CA C 109 55.233 55.233 56.107 -0.874 19311 2767 1 4 . 1 1 109 109 CYS CB C 109 29.518 29.518 31.287 -1.769 19311 2768 1 4 . 1 1 109 109 CYS H H 109 7.493 7.493 7.341 0.152 19311 2769 1 4 . 1 1 110 110 ARG N N 110 117.680 117.680 120.564 -2.884 19311 2770 1 4 . 1 1 110 110 ARG C C 110 179.018 179.018 177.918 1.100 19311 2771 1 4 . 1 1 110 110 ARG CA C 110 54.914 54.914 55.543 -0.629 19311 2772 1 4 . 1 1 110 110 ARG CB C 110 30.252 30.252 30.802 -0.550 19311 2773 1 4 . 1 1 110 110 ARG H H 110 8.271 8.271 8.600 -0.329 19311 2774 1 4 . 1 1 111 111 ILE N N 111 124.684 124.684 122.834 1.850 19311 2775 1 4 . 1 1 111 111 ILE CA C 111 63.115 63.115 62.929 0.186 19311 2776 1 4 . 1 1 111 111 ILE CB C 111 37.530 37.530 37.693 -0.163 19311 2777 1 4 . 1 1 111 111 ILE H H 111 9.551 9.551 8.659 0.892 19311 2778 1 4 . 1 1 112 112 THR N N 112 106.975 106.975 109.656 -2.681 19311 2779 1 4 . 1 1 112 112 THR C C 112 175.160 175.160 174.209 0.951 19311 2780 1 4 . 1 1 112 112 THR CA C 112 60.029 60.029 62.473 -2.444 19311 2781 1 4 . 1 1 112 112 THR CB C 112 67.949 67.949 67.856 0.093 19311 2782 1 4 . 1 1 112 112 THR H H 112 6.484 6.484 7.689 -1.205 19311 2783 1 4 . 1 1 113 113 SER N N 113 118.281 118.281 116.844 1.437 19311 2784 1 4 . 1 1 113 113 SER C C 113 173.813 173.813 174.199 -0.386 19311 2785 1 4 . 1 1 113 113 SER CA C 113 58.470 58.470 57.947 0.523 19311 2786 1 4 . 1 1 113 113 SER CB C 113 62.730 62.730 64.515 -1.785 19311 2787 1 4 . 1 1 113 113 SER H H 113 7.446 7.446 7.359 0.087 19311 2788 1 4 . 1 1 114 114 GLU N N 114 121.273 121.273 116.433 4.840 19311 2789 1 4 . 1 1 114 114 GLU CA C 114 56.911 56.911 57.684 -0.773 19311 2790 1 4 . 1 1 114 114 GLU CB C 114 27.463 27.463 28.038 -0.575 19311 2791 1 4 . 1 1 114 114 GLU H H 114 8.350 8.350 8.898 -0.548 19311 2792 1 4 . 1 1 115 115 THR N N 115 109.184 109.184 107.501 1.683 19311 2793 1 4 . 1 1 115 115 THR C C 115 177.031 177.031 174.843 2.188 19311 2794 1 4 . 1 1 115 115 THR CA C 115 61.908 61.908 62.844 -0.936 19311 2795 1 4 . 1 1 115 115 THR CB C 115 69.072 69.072 69.118 -0.046 19311 2796 1 4 . 1 1 115 115 THR H H 115 7.689 7.689 8.196 -0.507 19311 2797 1 4 . 1 1 116 116 THR N N 116 115.339 115.339 115.855 -0.516 19311 2798 1 4 . 1 1 116 116 THR C C 116 175.023 175.023 175.270 -0.247 19311 2799 1 4 . 1 1 116 116 THR CA C 116 63.834 63.834 66.113 -2.279 19311 2800 1 4 . 1 1 116 116 THR CB C 116 68.130 68.130 68.937 -0.807 19311 2801 1 4 . 1 1 116 116 THR H H 116 7.979 7.979 7.948 0.031 19311 2802 1 4 . 1 1 117 117 ASN N N 117 118.558 118.558 118.309 0.249 19311 2803 1 4 . 1 1 117 117 ASN C C 117 174.413 174.413 174.344 0.069 19311 2804 1 4 . 1 1 117 117 ASN CA C 117 53.549 53.549 52.670 0.879 19311 2805 1 4 . 1 1 117 117 ASN CB C 117 37.548 37.548 37.637 -0.089 19311 2806 1 4 . 1 1 117 117 ASN H H 117 8.295 8.295 8.685 -0.390 19311 2807 1 4 . 1 1 118 118 CYS N N 118 116.611 116.611 117.442 -0.831 19311 2808 1 4 . 1 1 118 118 CYS C C 118 174.430 174.430 173.331 1.099 19311 2809 1 4 . 1 1 118 118 CYS CA C 118 58.206 58.206 57.530 0.676 19311 2810 1 4 . 1 1 118 118 CYS CB C 118 28.866 28.866 31.911 -3.045 19311 2811 1 4 . 1 1 118 118 CYS H H 118 7.548 7.548 7.512 0.036 19311 2812 1 4 . 1 1 119 119 LEU N N 119 125.613 125.613 119.688 5.925 19311 2813 1 4 . 1 1 119 119 LEU C C 119 174.612 174.612 175.387 -0.775 19311 2814 1 4 . 1 1 119 119 LEU CA C 119 54.869 54.869 53.522 1.347 19311 2815 1 4 . 1 1 119 119 LEU CB C 119 42.394 42.394 44.953 -2.559 19311 2816 1 4 . 1 1 119 119 LEU H H 119 8.840 8.840 8.872 -0.032 19311 2817 1 4 . 1 1 120 120 MET N N 120 128.079 128.079 121.797 6.282 19311 2818 1 4 . 1 1 120 120 MET C C 120 174.384 174.384 174.254 0.130 19311 2819 1 4 . 1 1 120 120 MET CA C 120 53.292 53.292 53.796 -0.504 19311 2820 1 4 . 1 1 120 120 MET H H 120 9.274 9.274 8.769 0.505 19311 2821 1 4 . 1 1 121 121 ILE N N 121 120.093 120.093 128.141 -8.048 19311 2822 1 4 . 1 1 121 121 ILE C C 121 176.479 176.479 175.112 1.367 19311 2823 1 4 . 1 1 121 121 ILE CA C 121 55.536 55.536 58.475 -2.939 19311 2824 1 4 . 1 1 121 121 ILE CB C 121 36.335 36.335 37.219 -0.884 19311 2825 1 4 . 1 1 121 121 ILE H H 121 8.527 8.527 9.105 -0.578 19311 2826 1 4 . 1 1 122 122 ILE N N 122 119.127 119.127 128.138 -9.011 19311 2827 1 4 . 1 1 122 122 ILE C C 122 174.904 174.904 175.188 -0.284 19311 2828 1 4 . 1 1 122 122 ILE CA C 122 57.790 57.790 60.178 -2.388 19311 2829 1 4 . 1 1 122 122 ILE CB C 122 41.605 41.605 40.537 1.068 19311 2830 1 4 . 1 1 122 122 ILE H H 122 8.913 8.913 8.891 0.022 19311 2831 1 4 . 1 1 123 123 GLY N N 123 106.647 106.647 111.306 -4.659 19311 2832 1 4 . 1 1 123 123 GLY C C 123 170.571 170.571 172.319 -1.748 19311 2833 1 4 . 1 1 123 123 GLY CA C 123 43.698 43.698 44.305 -0.607 19311 2834 1 4 . 1 1 123 123 GLY H H 123 8.373 8.373 8.966 -0.593 19311 2835 1 4 . 1 1 124 124 ASP N N 124 119.021 119.021 120.108 -1.087 19311 2836 1 4 . 1 1 124 124 ASP C C 124 174.481 174.481 174.298 0.183 19311 2837 1 4 . 1 1 124 124 ASP CA C 124 53.993 53.993 55.428 -1.435 19311 2838 1 4 . 1 1 124 124 ASP CB C 124 39.163 39.163 40.423 -1.260 19311 2839 1 4 . 1 1 124 124 ASP H H 124 7.712 7.712 8.393 -0.681 19311 2840 1 4 . 1 1 125 125 ALA N N 125 122.997 122.997 123.192 -0.195 19311 2841 1 4 . 1 1 125 125 ALA C C 125 175.798 175.798 175.018 0.780 19311 2842 1 4 . 1 1 125 125 ALA CA C 125 49.258 49.258 50.513 -1.255 19311 2843 1 4 . 1 1 125 125 ALA CB C 125 23.466 23.466 23.500 -0.034 19311 2844 1 4 . 1 1 125 125 ALA H H 125 8.502 8.502 7.889 0.613 19311 2845 1 4 . 1 1 126 126 ASP N N 126 121.643 121.643 119.162 2.481 19311 2846 1 4 . 1 1 126 126 ASP C C 126 174.129 174.129 173.986 0.143 19311 2847 1 4 . 1 1 126 126 ASP CA C 126 51.984 51.984 52.418 -0.434 19311 2848 1 4 . 1 1 126 126 ASP CB C 126 43.380 43.380 44.775 -1.395 19311 2849 1 4 . 1 1 126 126 ASP H H 126 8.656 8.656 8.967 -0.311 19311 2850 1 4 . 1 1 127 127 LEU N N 127 124.869 124.869 121.447 3.422 19311 2851 1 4 . 1 1 127 127 LEU C C 127 175.007 175.007 175.616 -0.609 19311 2852 1 4 . 1 1 127 127 LEU CA C 127 53.944 53.944 53.996 -0.052 19311 2853 1 4 . 1 1 127 127 LEU CB C 127 43.759 43.759 44.649 -0.890 19311 2854 1 4 . 1 1 127 127 LEU H H 127 8.886 8.886 8.403 0.483 19311 2855 1 4 . 1 1 128 128 VAL N N 128 122.817 122.817 118.721 4.096 19311 2856 1 4 . 1 1 128 128 VAL C C 128 173.242 173.242 174.201 -0.959 19311 2857 1 4 . 1 1 128 128 VAL CA C 128 58.875 58.875 58.705 0.170 19311 2858 1 4 . 1 1 128 128 VAL CB C 128 34.062 34.062 35.526 -1.464 19311 2859 1 4 . 1 1 128 128 VAL H H 128 8.737 8.737 9.108 -0.371 19311 2860 1 4 . 1 1 129 129 TYR N N 129 120.375 120.375 117.062 3.313 19311 2861 1 4 . 1 1 129 129 TYR C C 129 176.280 176.280 174.688 1.592 19311 2862 1 4 . 1 1 129 129 TYR CA C 129 57.265 57.265 55.286 1.979 19311 2863 1 4 . 1 1 129 129 TYR CB C 129 38.931 38.931 39.937 -1.006 19311 2864 1 4 . 1 1 129 129 TYR H H 129 8.585 8.585 7.923 0.662 19311 2865 1 4 . 1 1 130 130 VAL N N 130 121.466 121.466 124.268 -2.802 19311 2866 1 4 . 1 1 130 130 VAL C C 130 174.139 174.139 175.067 -0.928 19311 2867 1 4 . 1 1 130 130 VAL CA C 130 59.324 59.324 60.773 -1.449 19311 2868 1 4 . 1 1 130 130 VAL CB C 130 34.193 34.193 35.697 -1.504 19311 2869 1 4 . 1 1 130 130 VAL H H 130 8.851 8.851 8.971 -0.120 19311 2870 1 4 . 1 1 131 131 THR N N 131 113.648 113.648 116.538 -2.890 19311 2871 1 4 . 1 1 131 131 THR C C 131 175.861 175.861 175.538 0.323 19311 2872 1 4 . 1 1 131 131 THR CA C 131 59.748 59.748 59.912 -0.164 19311 2873 1 4 . 1 1 131 131 THR CB C 131 70.864 70.864 70.843 0.021 19311 2874 1 4 . 1 1 131 131 THR H H 131 7.768 7.768 8.218 -0.450 19311 2875 1 4 . 1 1 132 132 ASN N N 132 119.407 119.407 120.385 -0.978 19311 2876 1 4 . 1 1 132 132 ASN CA C 132 56.643 56.643 57.214 -0.571 19311 2877 1 4 . 1 1 132 132 ASN CB C 132 38.269 38.269 38.414 -0.145 19311 2878 1 4 . 1 1 132 132 ASN H H 132 8.518 8.518 8.667 -0.149 19311 2879 1 4 . 1 1 133 133 SER C C 133 176.763 176.763 176.443 0.320 19311 2880 1 4 . 1 1 133 133 SER CA C 133 61.287 61.287 60.834 0.453 19311 2881 1 4 . 1 1 134 134 ARG N N 134 124.193 124.193 123.403 0.790 19311 2882 1 4 . 1 1 134 134 ARG C C 134 178.393 178.393 178.089 0.304 19311 2883 1 4 . 1 1 134 134 ARG CA C 134 57.034 57.034 57.867 -0.833 19311 2884 1 4 . 1 1 134 134 ARG CB C 134 29.051 29.051 29.640 -0.589 19311 2885 1 4 . 1 1 134 134 ARG H H 134 7.333 7.333 7.542 -0.209 19311 2886 1 4 . 1 1 135 135 ALA N N 135 124.165 124.165 121.889 2.276 19311 2887 1 4 . 1 1 135 135 ALA C C 135 180.063 180.063 179.614 0.449 19311 2888 1 4 . 1 1 135 135 ALA CA C 135 55.239 55.239 54.921 0.318 19311 2889 1 4 . 1 1 135 135 ALA CB C 135 16.063 16.063 18.426 -2.363 19311 2890 1 4 . 1 1 135 135 ALA H H 135 8.656 8.656 8.331 0.325 19311 2891 1 4 . 1 1 136 136 MET N N 136 117.770 117.770 117.495 0.275 19311 2892 1 4 . 1 1 136 136 MET C C 136 178.837 178.837 178.240 0.597 19311 2893 1 4 . 1 1 136 136 MET CA C 136 58.214 58.214 59.191 -0.977 19311 2894 1 4 . 1 1 136 136 MET CB C 136 31.493 31.493 32.747 -1.254 19311 2895 1 4 . 1 1 136 136 MET H H 136 8.211 8.211 8.302 -0.091 19311 2896 1 4 . 1 1 137 137 SER N N 137 114.607 114.607 114.277 0.330 19311 2897 1 4 . 1 1 137 137 SER C C 137 176.196 176.196 176.781 -0.585 19311 2898 1 4 . 1 1 137 137 SER CA C 137 60.589 60.589 60.675 -0.086 19311 2899 1 4 . 1 1 137 137 SER CB C 137 62.236 62.236 63.336 -1.100 19311 2900 1 4 . 1 1 137 137 SER H H 137 8.021 8.021 7.896 0.125 19311 2901 1 4 . 1 1 138 138 HIS N N 138 120.793 120.793 120.924 -0.131 19311 2902 1 4 . 1 1 138 138 HIS C C 138 174.530 174.530 175.619 -1.089 19311 2903 1 4 . 1 1 138 138 HIS CA C 138 58.296 58.296 56.743 1.553 19311 2904 1 4 . 1 1 138 138 HIS CB C 138 29.593 29.593 30.839 -1.246 19311 2905 1 4 . 1 1 138 138 HIS H H 138 8.462 8.462 8.059 0.403 19311 2906 1 4 . 1 1 139 139 PHE N N 139 114.046 114.046 114.267 -0.221 19311 2907 1 4 . 1 1 139 139 PHE C C 139 173.540 173.540 175.634 -2.094 19311 2908 1 4 . 1 1 139 139 PHE CA C 139 58.722 58.722 58.813 -0.091 19311 2909 1 4 . 1 1 139 139 PHE CB C 139 38.583 38.583 39.350 -0.767 19311 2910 1 4 . 1 1 139 139 PHE H H 139 7.466 7.466 7.906 -0.440 19311 2911 1 4 . 1 1 140 140 LYS N N 140 110.734 110.734 115.490 -4.756 19311 2912 1 4 . 1 1 140 140 LYS C C 140 175.951 175.951 175.259 0.692 19311 2913 1 4 . 1 1 140 140 LYS CA C 140 56.106 56.106 56.872 -0.766 19311 2914 1 4 . 1 1 140 140 LYS CB C 140 27.887 27.887 29.424 -1.538 19311 2915 1 4 . 1 1 140 140 LYS H H 140 7.141 7.141 8.114 -0.973 19311 2916 1 4 . 1 1 141 141 ILE N N 141 114.716 114.716 118.509 -3.793 19311 2917 1 4 . 1 1 141 141 ILE C C 141 173.514 173.514 173.854 -0.340 19311 2918 1 4 . 1 1 141 141 ILE CA C 141 58.801 58.801 60.018 -1.217 19311 2919 1 4 . 1 1 141 141 ILE CB C 141 41.595 41.595 40.060 1.535 19311 2920 1 4 . 1 1 141 141 ILE H H 141 7.309 7.309 7.711 -0.402 19311 2921 1 4 . 1 1 142 142 SER N N 142 115.031 115.031 121.531 -6.500 19311 2922 1 4 . 1 1 142 142 SER C C 142 176.437 176.437 175.488 0.949 19311 2923 1 4 . 1 1 142 142 SER CA C 142 55.685 55.685 58.591 -2.906 19311 2924 1 4 . 1 1 142 142 SER CB C 142 62.911 62.911 63.814 -0.903 19311 2925 1 4 . 1 1 142 142 SER H H 142 7.814 7.814 8.314 -0.500 19311 2926 1 4 . 1 1 143 143 LEU N N 143 127.405 127.405 127.540 -0.135 19311 2927 1 4 . 1 1 143 143 LEU C C 143 178.496 178.496 178.697 -0.201 19311 2928 1 4 . 1 1 143 143 LEU CA C 143 56.183 56.183 56.573 -0.390 19311 2929 1 4 . 1 1 143 143 LEU CB C 143 40.186 40.186 41.794 -1.608 19311 2930 1 4 . 1 1 143 143 LEU H H 143 8.735 8.735 9.251 -0.516 19311 2931 1 4 . 1 1 144 144 SER N N 144 114.479 114.479 114.838 -0.359 19311 2932 1 4 . 1 1 144 144 SER CA C 144 60.242 60.242 60.804 -0.562 19311 2933 1 4 . 1 1 144 144 SER CB C 144 61.694 61.694 62.931 -1.237 19311 2934 1 4 . 1 1 144 144 SER H H 144 8.140 8.140 7.955 0.185 19311 2935 1 4 . 1 1 145 145 ASN N N 145 117.299 117.299 118.846 -1.547 19311 2936 1 4 . 1 1 145 145 ASN C C 145 175.940 175.940 175.702 0.238 19311 2937 1 4 . 1 1 145 145 ASN CA C 145 54.269 54.269 54.572 -0.303 19311 2938 1 4 . 1 1 145 145 ASN CB C 145 38.284 38.284 39.312 -1.028 19311 2939 1 4 . 1 1 145 145 ASN H H 145 7.735 7.735 7.721 0.014 19311 2940 1 4 . 1 1 146 146 ILE N N 146 112.479 112.479 111.790 0.689 19311 2941 1 4 . 1 1 146 146 ILE C C 146 174.155 174.155 174.384 -0.229 19311 2942 1 4 . 1 1 146 146 ILE CA C 146 60.838 60.838 60.564 0.274 19311 2943 1 4 . 1 1 146 146 ILE CB C 146 39.123 39.123 38.831 0.291 19311 2944 1 4 . 1 1 146 146 ILE H H 146 7.489 7.489 7.365 0.124 19311 2945 1 4 . 1 1 147 147 SER N N 147 114.961 114.961 114.679 0.282 19311 2946 1 4 . 1 1 147 147 SER CA C 147 56.770 56.770 56.824 -0.054 19311 2947 1 4 . 1 1 147 147 SER CB C 147 64.077 64.077 64.800 -0.723 19311 2948 1 4 . 1 1 147 147 SER H H 147 7.794 7.794 7.473 0.321 19311 2949 1 4 . 1 1 148 148 SER C C 148 174.292 174.292 175.003 -0.711 19311 2950 1 4 . 1 1 148 148 SER CA C 148 58.192 58.192 58.986 -0.794 19311 2951 1 4 . 1 1 148 148 SER CB C 148 62.840 62.840 63.153 -0.313 19311 2952 1 4 . 1 1 149 149 LYS N N 149 122.096 122.096 121.679 0.417 19311 2953 1 4 . 1 1 149 149 LYS CA C 149 54.607 54.607 55.191 -0.584 19311 2954 1 4 . 1 1 149 149 LYS CB C 149 33.707 33.707 34.661 -0.954 19311 2955 1 4 . 1 1 149 149 LYS H H 149 8.049 8.049 7.494 0.555 19311 2956 1 4 . 1 1 150 150 GLU N N 150 120.070 120.070 118.418 1.652 19311 2957 1 4 . 1 1 150 150 GLU C C 150 174.162 174.162 175.185 -1.023 19311 2958 1 4 . 1 1 150 150 GLU CA C 150 56.703 56.703 55.834 0.869 19311 2959 1 4 . 1 1 150 150 GLU CB C 150 29.037 29.037 29.564 -0.527 19311 2960 1 4 . 1 1 150 150 GLU H H 150 8.613 8.613 8.699 -0.086 19311 2961 1 4 . 1 1 151 151 ILE N N 151 118.006 118.006 114.361 3.645 19311 2962 1 4 . 1 1 151 151 ILE C C 151 175.069 175.069 173.905 1.164 19311 2963 1 4 . 1 1 151 151 ILE CA C 151 59.088 59.088 59.527 -0.439 19311 2964 1 4 . 1 1 151 151 ILE CB C 151 39.773 39.773 42.034 -2.261 19311 2965 1 4 . 1 1 151 151 ILE H H 151 6.873 6.873 7.479 -0.606 19311 2966 1 4 . 1 1 152 152 VAL N N 152 117.278 117.278 119.576 -2.298 19311 2967 1 4 . 1 1 152 152 VAL CA C 152 56.340 56.340 58.516 -2.176 19311 2968 1 4 . 1 1 152 152 VAL CB C 152 33.340 33.340 36.163 -2.823 19311 2969 1 4 . 1 1 152 152 VAL H H 152 8.401 8.401 8.892 -0.491 19311 2970 1 4 . 1 1 153 153 PRO C C 153 175.090 175.090 175.540 -0.450 19311 2971 1 4 . 1 1 153 153 PRO CA C 153 60.885 60.885 62.532 -1.647 19311 2972 1 4 . 1 1 153 153 PRO CB C 153 31.113 31.113 32.503 -1.390 19311 2973 1 4 . 1 1 154 154 VAL N N 154 124.951 124.951 120.476 4.475 19311 2974 1 4 . 1 1 154 154 VAL C C 154 174.325 174.325 174.544 -0.219 19311 2975 1 4 . 1 1 154 154 VAL CA C 154 59.700 59.700 60.452 -0.752 19311 2976 1 4 . 1 1 154 154 VAL CB C 154 35.364 35.364 36.682 -1.318 19311 2977 1 4 . 1 1 154 154 VAL H H 154 9.206 9.206 8.870 0.336 19311 2978 1 4 . 1 1 155 155 LEU N N 155 122.272 122.272 127.150 -4.878 19311 2979 1 4 . 1 1 155 155 LEU C C 155 174.865 174.865 174.450 0.415 19311 2980 1 4 . 1 1 155 155 LEU CA C 155 52.543 52.543 53.760 -1.217 19311 2981 1 4 . 1 1 155 155 LEU CB C 155 43.016 43.016 43.519 -0.503 19311 2982 1 4 . 1 1 155 155 LEU H H 155 7.818 7.818 9.022 -1.204 19311 2983 1 4 . 1 1 156 156 ASN N N 156 126.663 126.663 126.121 0.542 19311 2984 1 4 . 1 1 156 156 ASN C C 156 174.956 174.956 174.231 0.725 19311 2985 1 4 . 1 1 156 156 ASN CA C 156 51.381 51.381 51.727 -0.346 19311 2986 1 4 . 1 1 156 156 ASN CB C 156 38.588 38.588 39.636 -1.048 19311 2987 1 4 . 1 1 156 156 ASN H H 156 9.256 9.256 9.165 0.091 19311 2988 1 4 . 1 1 157 157 VAL N N 157 126.547 126.547 126.214 0.333 19311 2989 1 4 . 1 1 157 157 VAL C C 157 174.990 174.990 174.760 0.230 19311 2990 1 4 . 1 1 157 157 VAL CA C 157 62.737 62.737 61.629 1.108 19311 2991 1 4 . 1 1 157 157 VAL CB C 157 33.901 33.901 33.953 -0.052 19311 2992 1 4 . 1 1 157 157 VAL H H 157 8.730 8.730 8.773 -0.043 19311 2993 1 4 . 1 1 158 158 ASN N N 158 122.925 122.925 123.736 -0.811 19311 2994 1 4 . 1 1 158 158 ASN C C 158 174.151 174.151 175.154 -1.003 19311 2995 1 4 . 1 1 158 158 ASN CA C 158 53.155 53.155 53.446 -0.291 19311 2996 1 4 . 1 1 158 158 ASN CB C 158 40.955 40.955 40.712 0.242 19311 2997 1 4 . 1 1 158 158 ASN H H 158 8.086 8.086 8.823 -0.737 19311 2998 1 4 . 1 1 159 159 GLN N N 159 118.639 118.639 117.457 1.182 19311 2999 1 4 . 1 1 159 159 GLN C C 159 174.146 174.146 173.633 0.513 19311 3000 1 4 . 1 1 159 159 GLN CA C 159 54.960 54.960 54.988 -0.028 19311 3001 1 4 . 1 1 159 159 GLN CB C 159 33.259 33.259 33.410 -0.151 19311 3002 1 4 . 1 1 159 159 GLN H H 159 8.013 8.013 7.661 0.352 19311 3003 1 4 . 1 1 160 160 ALA N N 160 121.359 121.359 124.063 -2.704 19311 3004 1 4 . 1 1 160 160 ALA C C 160 176.623 176.623 175.513 1.110 19311 3005 1 4 . 1 1 160 160 ALA CA C 160 51.336 51.336 51.751 -0.415 19311 3006 1 4 . 1 1 160 160 ALA CB C 160 20.748 20.748 22.525 -1.777 19311 3007 1 4 . 1 1 160 160 ALA H H 160 8.277 8.277 8.439 -0.162 19311 3008 1 4 . 1 1 161 161 THR N N 161 115.028 115.028 112.538 2.490 19311 3009 1 4 . 1 1 161 161 THR CA C 161 59.988 59.988 60.433 -0.445 19311 3010 1 4 . 1 1 161 161 THR CB C 161 69.766 69.766 72.219 -2.453 19311 3011 1 4 . 1 1 161 161 THR H H 161 9.101 9.101 8.742 0.359 19311 3012 1 4 . 1 1 162 162 ILE C C 162 175.079 175.079 174.959 0.120 19311 3013 1 4 . 1 1 162 162 ILE CA C 162 62.025 62.025 60.400 1.625 19311 3014 1 4 . 1 1 162 162 ILE CB C 162 39.360 39.360 40.236 -0.876 19311 3015 1 4 . 1 1 163 163 PHE N N 163 128.730 128.730 124.179 4.551 19311 3016 1 4 . 1 1 163 163 PHE CA C 163 59.063 59.063 56.695 2.368 19311 3017 1 4 . 1 1 163 163 PHE CB C 163 39.535 39.535 43.617 -4.082 19311 3018 1 4 . 1 1 163 163 PHE H H 163 9.310 9.310 8.952 0.358 19311 3019 1 4 . 1 1 165 165 ILE C C 165 175.305 175.305 176.098 -0.793 19311 3020 1 4 . 1 1 165 165 ILE CA C 165 60.713 60.713 62.407 -1.694 19311 3021 1 4 . 1 1 165 165 ILE CB C 165 38.555 38.555 39.288 -0.733 19311 3022 1 4 . 1 1 166 166 ASP N N 166 124.971 124.971 116.947 8.024 19311 3023 1 4 . 1 1 166 166 ASP C C 166 175.583 175.583 174.319 1.264 19311 3024 1 4 . 1 1 166 166 ASP CA C 166 53.988 53.988 53.342 0.646 19311 3025 1 4 . 1 1 166 166 ASP CB C 166 41.109 41.109 44.022 -2.913 19311 3026 1 4 . 1 1 166 166 ASP H H 166 8.400 8.400 7.969 0.431 19311 3027 1 4 . 1 1 167 167 GLN N N 167 122.323 122.323 120.958 1.365 19311 3028 1 4 . 1 1 167 167 GLN C C 167 175.699 175.699 175.428 0.271 19311 3029 1 4 . 1 1 167 167 GLN CA C 167 55.012 55.012 55.938 -0.926 19311 3030 1 4 . 1 1 167 167 GLN CB C 167 28.830 28.830 30.093 -1.263 19311 3031 1 4 . 1 1 167 167 GLN H H 167 8.379 8.379 8.435 -0.056 19311 3032 1 4 . 1 1 168 168 VAL N N 168 122.545 122.545 126.246 -3.701 19311 3033 1 4 . 1 1 168 168 VAL C C 168 176.586 176.586 175.422 1.164 19311 3034 1 4 . 1 1 168 168 VAL CA C 168 62.315 62.315 61.243 1.072 19311 3035 1 4 . 1 1 168 168 VAL CB C 168 31.976 31.976 33.844 -1.868 19311 3036 1 4 . 1 1 168 168 VAL H H 168 8.097 8.097 8.740 -0.643 19311 3037 1 4 . 1 1 169 169 GLY N N 169 112.864 112.864 111.456 1.408 19311 3038 1 4 . 1 1 169 169 GLY CA C 169 44.508 44.508 44.067 0.441 19311 3039 1 4 . 1 1 169 169 GLY H H 169 8.349 8.349 8.339 0.010 19311 3040 1 4 . 1 1 171 171 LEU C C 171 177.338 177.338 176.371 0.967 19311 3041 1 4 . 1 1 171 171 LEU CA C 171 54.598 54.598 54.774 -0.176 19311 3042 1 4 . 1 1 171 171 LEU CB C 171 40.893 40.893 42.979 -2.086 19311 3043 1 4 . 1 1 172 172 SER N N 172 117.418 117.418 122.234 -4.816 19311 3044 1 4 . 1 1 172 172 SER C C 172 172.759 172.759 174.900 -2.141 19311 3045 1 4 . 1 1 172 172 SER CA C 172 57.862 57.862 58.175 -0.313 19311 3046 1 4 . 1 1 172 172 SER CB C 172 63.116 63.116 63.756 -0.640 19311 3047 1 4 . 1 1 172 172 SER H H 172 7.985 7.985 8.286 -0.301 19311 3048 1 4 . 1 1 173 173 THR N N 173 116.665 116.665 115.161 1.504 19311 3049 1 4 . 1 1 173 173 THR C C 173 173.571 173.571 173.797 -0.226 19311 3050 1 4 . 1 1 173 173 THR CA C 173 61.126 61.126 64.366 -3.240 19311 3051 1 4 . 1 1 173 173 THR CB C 173 69.260 69.260 68.764 0.496 19311 3052 1 4 . 1 1 173 173 THR H H 173 7.922 7.922 8.265 -0.343 19311 3053 1 4 . 1 1 174 174 PHE N N 174 125.740 125.740 119.561 6.179 19311 3054 1 4 . 1 1 174 174 PHE CA C 174 54.742 54.742 54.152 0.590 19311 3055 1 4 . 1 1 174 174 PHE CB C 174 38.364 38.364 39.601 -1.237 19311 3056 1 4 . 1 1 174 174 PHE H H 174 8.618 8.618 7.476 1.142 19311 3057 1 4 . 1 1 175 175 PRO C C 175 178.235 178.235 177.221 1.014 19311 3058 1 4 . 1 1 175 175 PRO CA C 175 61.555 61.555 62.443 -0.888 19311 3059 1 4 . 1 1 175 175 PRO CB C 175 31.606 31.606 32.392 -0.786 19311 3060 1 4 . 1 1 176 176 PHE N N 176 119.598 119.598 120.366 -0.768 19311 3061 1 4 . 1 1 176 176 PHE C C 176 178.361 178.361 177.493 0.868 19311 3062 1 4 . 1 1 176 176 PHE CA C 176 59.631 59.631 58.940 0.691 19311 3063 1 4 . 1 1 176 176 PHE CB C 176 39.493 39.493 38.536 0.957 19311 3064 1 4 . 1 1 176 176 PHE H H 176 9.179 9.179 8.738 0.441 19311 3065 1 4 . 1 1 177 177 VAL N N 177 121.283 121.283 121.020 0.263 19311 3066 1 4 . 1 1 177 177 VAL C C 177 174.922 174.922 176.407 -1.485 19311 3067 1 4 . 1 1 177 177 VAL CA C 177 62.670 62.670 64.124 -1.454 19311 3068 1 4 . 1 1 177 177 VAL CB C 177 31.437 31.437 31.419 0.018 19311 3069 1 4 . 1 1 177 177 VAL H H 177 9.408 9.408 7.850 1.558 19311 3070 1 4 . 1 1 178 178 TYR N N 178 116.602 116.602 116.354 0.248 19311 3071 1 4 . 1 1 178 178 TYR C C 178 176.839 176.839 177.088 -0.249 19311 3072 1 4 . 1 1 178 178 TYR CA C 178 56.575 56.575 57.910 -1.335 19311 3073 1 4 . 1 1 178 178 TYR CB C 178 35.764 35.764 37.338 -1.574 19311 3074 1 4 . 1 1 178 178 TYR H H 178 6.166 6.166 7.388 -1.222 19311 3075 1 4 . 1 1 179 179 LYS N N 179 118.114 118.114 119.926 -1.812 19311 3076 1 4 . 1 1 179 179 LYS C C 179 176.384 176.384 176.515 -0.131 19311 3077 1 4 . 1 1 179 179 LYS CA C 179 57.540 57.540 57.453 0.087 19311 3078 1 4 . 1 1 179 179 LYS CB C 179 31.024 31.024 31.791 -0.767 19311 3079 1 4 . 1 1 179 179 LYS H H 179 7.554 7.554 7.718 -0.164 19311 3080 1 4 . 1 1 180 180 TYR N N 180 117.346 117.346 117.014 0.332 19311 3081 1 4 . 1 1 180 180 TYR C C 180 174.479 174.479 174.739 -0.260 19311 3082 1 4 . 1 1 180 180 TYR CA C 180 57.407 57.407 57.457 -0.050 19311 3083 1 4 . 1 1 180 180 TYR CB C 180 38.020 38.020 38.319 -0.299 19311 3084 1 4 . 1 1 180 180 TYR H H 180 7.788 7.788 7.743 0.045 19311 3085 1 5 . 1 1 13 13 THR C C 13 174.300 174.300 174.751 -0.451 19311 3086 1 5 . 1 1 13 13 THR CA C 13 61.472 61.472 61.975 -0.503 19311 3087 1 5 . 1 1 13 13 THR CB C 13 69.201 69.201 69.168 0.033 19311 3088 1 5 . 1 1 14 14 ASP N N 14 123.228 123.228 123.665 -0.437 19311 3089 1 5 . 1 1 14 14 ASP C C 14 176.245 176.245 176.442 -0.197 19311 3090 1 5 . 1 1 14 14 ASP CA C 14 53.996 53.996 54.817 -0.821 19311 3091 1 5 . 1 1 14 14 ASP CB C 14 41.601 41.601 41.155 0.446 19311 3092 1 5 . 1 1 14 14 ASP H H 14 8.321 8.321 7.576 0.745 19311 3093 1 5 . 1 1 15 15 SER N N 15 115.463 115.463 118.045 -2.582 19311 3094 1 5 . 1 1 15 15 SER C C 15 175.991 175.991 176.039 -0.048 19311 3095 1 5 . 1 1 15 15 SER CA C 15 58.020 58.020 58.310 -0.290 19311 3096 1 5 . 1 1 15 15 SER CB C 15 63.080 63.080 63.225 -0.145 19311 3097 1 5 . 1 1 15 15 SER H H 15 8.403 8.403 7.987 0.416 19311 3098 1 5 . 1 1 16 16 VAL N N 16 124.538 124.538 122.562 1.976 19311 3099 1 5 . 1 1 16 16 VAL C C 16 176.097 176.097 176.378 -0.281 19311 3100 1 5 . 1 1 16 16 VAL CA C 16 62.750 62.750 65.106 -2.356 19311 3101 1 5 . 1 1 16 16 VAL CB C 16 30.859 30.859 31.632 -0.773 19311 3102 1 5 . 1 1 16 16 VAL H H 16 8.139 8.139 8.366 -0.227 19311 3103 1 5 . 1 1 17 17 PHE N N 17 119.242 119.242 113.388 5.854 19311 3104 1 5 . 1 1 17 17 PHE C C 17 176.086 176.086 175.098 0.988 19311 3105 1 5 . 1 1 17 17 PHE CA C 17 58.934 58.934 56.251 2.683 19311 3106 1 5 . 1 1 17 17 PHE CB C 17 38.133 38.133 37.966 0.167 19311 3107 1 5 . 1 1 17 17 PHE H H 17 7.575 7.575 7.071 0.504 19311 3108 1 5 . 1 1 18 18 LEU N N 18 121.292 121.292 123.016 -1.724 19311 3109 1 5 . 1 1 18 18 LEU C C 18 173.871 173.871 175.599 -1.728 19311 3110 1 5 . 1 1 18 18 LEU CA C 18 54.048 54.048 53.696 0.352 19311 3111 1 5 . 1 1 18 18 LEU CB C 18 41.529 41.529 39.796 1.733 19311 3112 1 5 . 1 1 18 18 LEU H H 18 7.586 7.586 7.079 0.507 19311 3113 1 5 . 1 1 19 19 GLN N N 19 128.124 128.124 119.553 8.571 19311 3114 1 5 . 1 1 19 19 GLN CA C 19 53.131 53.131 52.541 0.590 19311 3115 1 5 . 1 1 19 19 GLN CB C 19 30.299 30.299 28.953 1.346 19311 3116 1 5 . 1 1 19 19 GLN H H 19 8.893 8.893 7.508 1.385 19311 3117 1 5 . 1 1 20 20 PRO C C 20 176.974 176.974 175.810 1.164 19311 3118 1 5 . 1 1 20 20 PRO CA C 20 62.459 62.459 63.736 -1.277 19311 3119 1 5 . 1 1 20 20 PRO CB C 20 29.693 29.693 32.165 -2.472 19311 3120 1 5 . 1 1 21 21 TRP N N 21 126.042 126.042 119.385 6.657 19311 3121 1 5 . 1 1 21 21 TRP C C 21 176.624 176.624 176.180 0.444 19311 3122 1 5 . 1 1 21 21 TRP CA C 21 58.241 58.241 56.911 1.330 19311 3123 1 5 . 1 1 21 21 TRP CB C 21 31.457 31.457 30.107 1.350 19311 3124 1 5 . 1 1 21 21 TRP H H 21 9.813 9.813 9.176 0.637 19311 3125 1 5 . 1 1 22 22 ILE N N 22 128.281 128.281 123.603 4.678 19311 3126 1 5 . 1 1 22 22 ILE C C 22 176.776 176.776 177.238 -0.462 19311 3127 1 5 . 1 1 22 22 ILE CA C 22 66.628 66.628 65.554 1.074 19311 3128 1 5 . 1 1 22 22 ILE CB C 22 37.455 37.455 37.268 0.187 19311 3129 1 5 . 1 1 22 22 ILE H H 22 8.438 8.438 8.098 0.340 19311 3130 1 5 . 1 1 23 23 LYS N N 23 121.661 121.661 120.777 0.884 19311 3131 1 5 . 1 1 23 23 LYS C C 23 177.812 177.812 178.156 -0.344 19311 3132 1 5 . 1 1 23 23 LYS CA C 23 60.467 60.467 60.169 0.298 19311 3133 1 5 . 1 1 23 23 LYS CB C 23 31.055 31.055 31.970 -0.915 19311 3134 1 5 . 1 1 23 23 LYS H H 23 9.062 9.062 7.788 1.274 19311 3135 1 5 . 1 1 24 24 ALA N N 24 120.454 120.454 121.914 -1.460 19311 3136 1 5 . 1 1 24 24 ALA C C 24 179.285 179.285 179.769 -0.484 19311 3137 1 5 . 1 1 24 24 ALA CA C 24 54.076 54.076 54.837 -0.761 19311 3138 1 5 . 1 1 24 24 ALA CB C 24 17.220 17.220 18.140 -0.920 19311 3139 1 5 . 1 1 24 24 ALA H H 24 8.447 8.447 8.122 0.325 19311 3140 1 5 . 1 1 25 25 LEU N N 25 120.482 120.482 119.953 0.529 19311 3141 1 5 . 1 1 25 25 LEU C C 25 180.269 180.269 178.874 1.395 19311 3142 1 5 . 1 1 25 25 LEU CA C 25 58.102 58.102 58.081 0.021 19311 3143 1 5 . 1 1 25 25 LEU CB C 25 41.636 41.636 42.124 -0.488 19311 3144 1 5 . 1 1 25 25 LEU H H 25 8.071 8.071 8.032 0.039 19311 3145 1 5 . 1 1 26 26 ILE N N 26 119.868 119.868 117.884 1.984 19311 3146 1 5 . 1 1 26 26 ILE C C 26 179.617 179.617 178.445 1.172 19311 3147 1 5 . 1 1 26 26 ILE CA C 26 63.547 63.547 65.211 -1.664 19311 3148 1 5 . 1 1 26 26 ILE CB C 26 35.786 35.786 37.965 -2.179 19311 3149 1 5 . 1 1 26 26 ILE H H 26 8.158 8.158 7.864 0.294 19311 3150 1 5 . 1 1 27 27 GLU N N 27 122.067 122.067 120.989 1.078 19311 3151 1 5 . 1 1 27 27 GLU C C 27 179.103 179.103 179.184 -0.081 19311 3152 1 5 . 1 1 27 27 GLU CA C 27 59.138 59.138 59.891 -0.753 19311 3153 1 5 . 1 1 27 27 GLU CB C 27 28.461 28.461 29.538 -1.077 19311 3154 1 5 . 1 1 27 27 GLU H H 27 8.543 8.543 8.535 0.008 19311 3155 1 5 . 1 1 28 28 ASP N N 28 119.228 119.228 116.732 2.496 19311 3156 1 5 . 1 1 28 28 ASP C C 28 176.992 176.992 176.629 0.363 19311 3157 1 5 . 1 1 28 28 ASP CA C 28 55.657 55.657 55.886 -0.229 19311 3158 1 5 . 1 1 28 28 ASP CB C 28 40.403 40.403 40.839 -0.436 19311 3159 1 5 . 1 1 28 28 ASP H H 28 8.396 8.396 8.320 0.076 19311 3160 1 5 . 1 1 29 29 ASN N N 29 117.545 117.545 116.329 1.216 19311 3161 1 5 . 1 1 29 29 ASN C C 29 174.277 174.277 174.693 -0.416 19311 3162 1 5 . 1 1 29 29 ASN CA C 29 53.694 53.694 52.406 1.288 19311 3163 1 5 . 1 1 29 29 ASN CB C 29 40.069 40.069 39.455 0.614 19311 3164 1 5 . 1 1 29 29 ASN H H 29 7.536 7.536 7.788 -0.252 19311 3165 1 5 . 1 1 30 30 SER N N 30 115.444 115.444 115.337 0.107 19311 3166 1 5 . 1 1 30 30 SER C C 30 173.942 173.942 175.235 -1.293 19311 3167 1 5 . 1 1 30 30 SER CA C 30 58.804 58.804 60.585 -1.781 19311 3168 1 5 . 1 1 30 30 SER CB C 30 63.838 63.838 63.583 0.255 19311 3169 1 5 . 1 1 30 30 SER H H 30 7.704 7.704 7.414 0.290 19311 3170 1 5 . 1 1 31 31 GLU N N 31 122.456 122.456 123.341 -0.885 19311 3171 1 5 . 1 1 31 31 GLU C C 31 176.234 176.234 176.208 0.026 19311 3172 1 5 . 1 1 31 31 GLU CA C 31 55.633 55.633 55.656 -0.023 19311 3173 1 5 . 1 1 31 31 GLU CB C 31 29.619 29.619 28.115 1.504 19311 3174 1 5 . 1 1 31 31 GLU H H 31 8.287 8.287 8.339 -0.052 19311 3175 1 5 . 1 1 32 32 HIS N N 32 120.953 120.953 120.127 0.826 19311 3176 1 5 . 1 1 32 32 HIS C C 32 174.779 174.779 175.807 -1.028 19311 3177 1 5 . 1 1 32 32 HIS CA C 32 56.355 56.355 59.203 -2.848 19311 3178 1 5 . 1 1 32 32 HIS CB C 32 29.467 29.467 29.455 0.012 19311 3179 1 5 . 1 1 32 32 HIS H H 32 8.207 8.207 8.010 0.197 19311 3180 1 5 . 1 1 33 33 ASP N N 33 120.471 120.471 116.432 4.039 19311 3181 1 5 . 1 1 33 33 ASP C C 33 175.225 175.225 177.267 -2.042 19311 3182 1 5 . 1 1 33 33 ASP CA C 33 54.277 54.277 56.005 -1.728 19311 3183 1 5 . 1 1 33 33 ASP CB C 33 40.007 40.007 40.339 -0.332 19311 3184 1 5 . 1 1 33 33 ASP H H 33 8.256 8.256 8.827 -0.571 19311 3185 1 5 . 1 1 34 34 GLN N N 34 118.522 118.522 116.304 2.218 19311 3186 1 5 . 1 1 34 34 GLN C C 34 175.275 175.275 176.644 -1.369 19311 3187 1 5 . 1 1 34 34 GLN CA C 34 55.388 55.388 55.275 0.113 19311 3188 1 5 . 1 1 34 34 GLN CB C 34 28.586 28.586 30.163 -1.577 19311 3189 1 5 . 1 1 34 34 GLN H H 34 7.854 7.854 7.622 0.232 19311 3190 1 5 . 1 1 35 35 TYR N N 35 120.831 120.831 122.062 -1.231 19311 3191 1 5 . 1 1 35 35 TYR C C 35 174.882 174.882 174.821 0.061 19311 3192 1 5 . 1 1 35 35 TYR CA C 35 56.752 56.752 58.674 -1.922 19311 3193 1 5 . 1 1 35 35 TYR CB C 35 36.712 36.712 38.532 -1.820 19311 3194 1 5 . 1 1 35 35 TYR H H 35 8.072 8.072 7.703 0.369 19311 3195 1 5 . 1 1 36 36 HIS N N 36 121.429 121.429 128.642 -7.213 19311 3196 1 5 . 1 1 36 36 HIS CA C 36 53.280 53.280 56.235 -2.955 19311 3197 1 5 . 1 1 36 36 HIS CB C 36 29.223 29.223 30.238 -1.015 19311 3198 1 5 . 1 1 36 36 HIS H H 36 7.788 7.788 8.161 -0.373 19311 3199 1 5 . 1 1 37 37 PRO C C 37 177.021 177.021 176.750 0.271 19311 3200 1 5 . 1 1 37 37 PRO CA C 37 62.947 62.947 64.856 -1.909 19311 3201 1 5 . 1 1 37 37 PRO CB C 37 31.735 31.735 32.039 -0.304 19311 3202 1 5 . 1 1 38 38 SER N N 38 117.550 117.550 111.285 6.265 19311 3203 1 5 . 1 1 38 38 SER C C 38 174.281 174.281 173.892 0.389 19311 3204 1 5 . 1 1 38 38 SER CA C 38 57.494 57.494 57.530 -0.036 19311 3205 1 5 . 1 1 38 38 SER CB C 38 63.795 63.795 64.298 -0.503 19311 3206 1 5 . 1 1 38 38 SER H H 38 8.808 8.808 8.327 0.481 19311 3207 1 5 . 1 1 39 39 GLY N N 39 113.547 113.547 108.486 5.061 19311 3208 1 5 . 1 1 39 39 GLY C C 39 173.690 173.690 172.729 0.961 19311 3209 1 5 . 1 1 39 39 GLY CA C 39 44.463 44.463 44.296 0.167 19311 3210 1 5 . 1 1 39 39 GLY H H 39 8.564 8.564 7.511 1.053 19311 3211 1 5 . 1 1 40 40 HIS N N 40 121.529 121.529 116.549 4.980 19311 3212 1 5 . 1 1 40 40 HIS C C 40 175.794 175.794 174.915 0.879 19311 3213 1 5 . 1 1 40 40 HIS CA C 40 55.796 55.796 55.669 0.128 19311 3214 1 5 . 1 1 40 40 HIS CB C 40 26.887 26.887 33.297 -6.410 19311 3215 1 5 . 1 1 40 40 HIS H H 40 9.071 9.071 8.113 0.958 19311 3216 1 5 . 1 1 41 41 VAL N N 41 115.423 115.423 114.750 0.673 19311 3217 1 5 . 1 1 41 41 VAL C C 41 176.247 176.247 175.407 0.840 19311 3218 1 5 . 1 1 41 41 VAL CA C 41 62.424 62.424 62.353 0.071 19311 3219 1 5 . 1 1 41 41 VAL CB C 41 31.201 31.201 34.226 -3.025 19311 3220 1 5 . 1 1 41 41 VAL H H 41 8.201 8.201 8.992 -0.791 19311 3221 1 5 . 1 1 42 42 ILE N N 42 120.213 120.213 121.584 -1.371 19311 3222 1 5 . 1 1 42 42 ILE CA C 42 58.655 58.655 58.025 0.630 19311 3223 1 5 . 1 1 42 42 ILE CB C 42 39.579 39.579 40.259 -0.680 19311 3224 1 5 . 1 1 42 42 ILE H H 42 7.305 7.305 8.098 -0.793 19311 3225 1 5 . 1 1 43 43 PRO C C 43 177.076 177.076 176.747 0.329 19311 3226 1 5 . 1 1 43 43 PRO CA C 43 62.446 62.446 63.136 -0.690 19311 3227 1 5 . 1 1 43 43 PRO CB C 43 32.486 32.486 32.454 0.032 19311 3228 1 5 . 1 1 44 44 SER N N 44 116.530 116.530 115.801 0.729 19311 3229 1 5 . 1 1 44 44 SER C C 44 173.398 173.398 173.769 -0.371 19311 3230 1 5 . 1 1 44 44 SER CA C 44 57.636 57.636 58.181 -0.545 19311 3231 1 5 . 1 1 44 44 SER CB C 44 63.032 63.032 63.624 -0.592 19311 3232 1 5 . 1 1 44 44 SER H H 44 8.436 8.436 8.307 0.129 19311 3233 1 5 . 1 1 45 45 LEU N N 45 127.441 127.441 126.492 0.949 19311 3234 1 5 . 1 1 45 45 LEU C C 45 178.103 178.103 177.149 0.954 19311 3235 1 5 . 1 1 45 45 LEU CA C 45 52.534 52.534 53.574 -1.040 19311 3236 1 5 . 1 1 45 45 LEU CB C 45 42.737 42.737 44.329 -1.592 19311 3237 1 5 . 1 1 45 45 LEU H H 45 9.947 9.947 8.295 1.652 19311 3238 1 5 . 1 1 46 46 THR N N 46 114.571 114.571 114.175 0.396 19311 3239 1 5 . 1 1 46 46 THR C C 46 175.217 175.217 175.440 -0.223 19311 3240 1 5 . 1 1 46 46 THR CA C 46 60.441 60.441 60.565 -0.124 19311 3241 1 5 . 1 1 46 46 THR CB C 46 71.156 71.156 70.632 0.524 19311 3242 1 5 . 1 1 46 46 THR H H 46 9.328 9.328 8.895 0.433 19311 3243 1 5 . 1 1 47 47 LYS N N 47 120.404 120.404 121.549 -1.145 19311 3244 1 5 . 1 1 47 47 LYS C C 47 179.434 179.434 178.653 0.781 19311 3245 1 5 . 1 1 47 47 LYS CA C 47 59.340 59.340 60.137 -0.797 19311 3246 1 5 . 1 1 47 47 LYS CB C 47 30.960 30.960 32.049 -1.089 19311 3247 1 5 . 1 1 47 47 LYS H H 47 8.690 8.690 8.672 0.018 19311 3248 1 5 . 1 1 48 48 GLN N N 48 119.487 119.487 117.405 2.082 19311 3249 1 5 . 1 1 48 48 GLN C C 48 178.691 178.691 178.324 0.367 19311 3250 1 5 . 1 1 48 48 GLN CA C 48 58.356 58.356 59.009 -0.653 19311 3251 1 5 . 1 1 48 48 GLN CB C 48 27.365 27.365 28.434 -1.069 19311 3252 1 5 . 1 1 48 48 GLN H H 48 8.082 8.082 8.390 -0.308 19311 3253 1 5 . 1 1 49 49 ASP N N 49 122.541 122.541 120.964 1.577 19311 3254 1 5 . 1 1 49 49 ASP C C 49 175.759 175.759 178.428 -2.669 19311 3255 1 5 . 1 1 49 49 ASP CA C 49 57.516 57.516 57.142 0.374 19311 3256 1 5 . 1 1 49 49 ASP CB C 49 41.147 41.147 40.525 0.622 19311 3257 1 5 . 1 1 49 49 ASP H H 49 7.743 7.743 7.944 -0.201 19311 3258 1 5 . 1 1 50 50 LEU N N 50 113.803 113.803 119.117 -5.314 19311 3259 1 5 . 1 1 50 50 LEU C C 50 178.243 178.243 179.649 -1.406 19311 3260 1 5 . 1 1 50 50 LEU CA C 50 56.063 56.063 57.303 -1.240 19311 3261 1 5 . 1 1 50 50 LEU CB C 50 41.162 41.162 41.777 -0.615 19311 3262 1 5 . 1 1 50 50 LEU H H 50 7.307 7.307 8.209 -0.902 19311 3263 1 5 . 1 1 51 51 ALA N N 51 120.417 120.417 123.008 -2.591 19311 3264 1 5 . 1 1 51 51 ALA C C 51 178.660 178.660 178.167 0.493 19311 3265 1 5 . 1 1 51 51 ALA CA C 51 53.718 53.718 54.555 -0.837 19311 3266 1 5 . 1 1 51 51 ALA CB C 51 18.193 18.193 19.253 -1.060 19311 3267 1 5 . 1 1 51 51 ALA H H 51 7.677 7.677 7.820 -0.143 19311 3268 1 5 . 1 1 52 52 LEU N N 52 116.642 116.642 118.529 -1.887 19311 3269 1 5 . 1 1 52 52 LEU CA C 52 51.307 51.307 52.135 -0.828 19311 3270 1 5 . 1 1 52 52 LEU CB C 52 42.099 42.099 42.380 -0.281 19311 3271 1 5 . 1 1 52 52 LEU H H 52 6.992 6.992 7.816 -0.824 19311 3272 1 5 . 1 1 53 53 PRO C C 53 177.594 177.594 177.950 -0.356 19311 3273 1 5 . 1 1 53 53 PRO CA C 53 65.466 65.466 65.105 0.361 19311 3274 1 5 . 1 1 53 53 PRO CB C 53 31.761 31.761 31.955 -0.194 19311 3275 1 5 . 1 1 54 54 HIS N N 54 112.752 112.752 111.792 0.960 19311 3276 1 5 . 1 1 54 54 HIS C C 54 175.187 175.187 174.686 0.501 19311 3277 1 5 . 1 1 54 54 HIS CA C 54 57.695 57.695 57.283 0.412 19311 3278 1 5 . 1 1 54 54 HIS CB C 54 28.716 28.716 28.187 0.529 19311 3279 1 5 . 1 1 54 54 HIS H H 54 8.274 8.274 8.629 -0.355 19311 3280 1 5 . 1 1 55 55 MET N N 55 116.326 116.326 117.651 -1.325 19311 3281 1 5 . 1 1 55 55 MET C C 55 175.522 175.522 176.038 -0.516 19311 3282 1 5 . 1 1 55 55 MET CA C 55 53.185 53.185 54.374 -1.189 19311 3283 1 5 . 1 1 55 55 MET CB C 55 32.240 32.240 32.498 -0.258 19311 3284 1 5 . 1 1 55 55 MET H H 55 7.254 7.254 7.130 0.124 19311 3285 1 5 . 1 1 56 56 SER N N 56 116.685 116.685 117.160 -0.475 19311 3286 1 5 . 1 1 56 56 SER CA C 56 54.269 54.269 54.711 -0.442 19311 3287 1 5 . 1 1 56 56 SER CB C 56 63.227 63.227 64.427 -1.200 19311 3288 1 5 . 1 1 56 56 SER H H 56 7.038 7.038 7.483 -0.445 19311 3289 1 5 . 1 1 57 57 PRO C C 57 178.714 178.714 178.417 0.297 19311 3290 1 5 . 1 1 57 57 PRO CA C 57 64.333 64.333 65.247 -0.914 19311 3291 1 5 . 1 1 57 57 PRO CB C 57 31.044 31.044 31.914 -0.870 19311 3292 1 5 . 1 1 58 58 THR N N 58 115.440 115.440 112.215 3.225 19311 3293 1 5 . 1 1 58 58 THR C C 58 175.811 175.811 175.065 0.746 19311 3294 1 5 . 1 1 58 58 THR CA C 58 65.411 65.411 66.124 -0.712 19311 3295 1 5 . 1 1 58 58 THR CB C 58 68.208 68.208 68.458 -0.250 19311 3296 1 5 . 1 1 58 58 THR H H 58 7.560 7.560 7.904 -0.344 19311 3297 1 5 . 1 1 59 59 ILE N N 59 122.823 122.823 118.486 4.337 19311 3298 1 5 . 1 1 59 59 ILE C C 59 176.672 176.672 177.903 -1.231 19311 3299 1 5 . 1 1 59 59 ILE CA C 59 64.230 64.230 63.679 0.551 19311 3300 1 5 . 1 1 59 59 ILE CB C 59 37.283 37.283 38.184 -0.901 19311 3301 1 5 . 1 1 59 59 ILE H H 59 7.182 7.182 7.518 -0.336 19311 3302 1 5 . 1 1 60 60 LEU N N 60 113.853 113.853 121.253 -7.400 19311 3303 1 5 . 1 1 60 60 LEU C C 60 179.288 179.288 177.437 1.851 19311 3304 1 5 . 1 1 60 60 LEU CA C 60 56.589 56.589 58.006 -1.417 19311 3305 1 5 . 1 1 60 60 LEU CB C 60 40.734 40.734 42.260 -1.526 19311 3306 1 5 . 1 1 60 60 LEU H H 60 7.894 7.894 8.302 -0.408 19311 3307 1 5 . 1 1 61 61 THR N N 61 107.267 107.267 108.411 -1.144 19311 3308 1 5 . 1 1 61 61 THR C C 61 173.987 173.987 175.066 -1.079 19311 3309 1 5 . 1 1 61 61 THR CA C 61 61.516 61.516 62.295 -0.779 19311 3310 1 5 . 1 1 61 61 THR CB C 61 69.919 69.919 68.987 0.932 19311 3311 1 5 . 1 1 61 61 THR H H 61 7.427 7.427 7.906 -0.479 19311 3312 1 5 . 1 1 62 62 ASN N N 62 121.377 121.377 121.432 -0.055 19311 3313 1 5 . 1 1 62 62 ASN CA C 62 49.977 49.977 50.788 -0.811 19311 3314 1 5 . 1 1 62 62 ASN CB C 62 39.885 39.885 40.865 -0.980 19311 3315 1 5 . 1 1 62 62 ASN H H 62 7.368 7.368 7.813 -0.445 19311 3316 1 5 . 1 1 63 63 PRO C C 63 176.868 176.868 178.087 -1.219 19311 3317 1 5 . 1 1 63 63 PRO CA C 63 64.130 64.130 64.830 -0.700 19311 3318 1 5 . 1 1 63 63 PRO CB C 63 32.275 32.275 32.371 -0.096 19311 3319 1 5 . 1 1 64 64 CYS N N 64 113.208 113.208 116.413 -3.205 19311 3320 1 5 . 1 1 64 64 CYS C C 64 170.205 170.205 175.189 -4.984 19311 3321 1 5 . 1 1 64 64 CYS CA C 64 56.943 56.943 60.366 -3.423 19311 3322 1 5 . 1 1 64 64 CYS CB C 64 26.242 26.242 26.988 -0.746 19311 3323 1 5 . 1 1 64 64 CYS H H 64 7.072 7.072 8.063 -0.991 19311 3324 1 5 . 1 1 65 65 HIS N N 65 108.987 108.987 115.116 -6.129 19311 3325 1 5 . 1 1 65 65 HIS C C 65 174.303 174.303 173.881 0.422 19311 3326 1 5 . 1 1 65 65 HIS CA C 65 56.141 56.141 57.194 -1.053 19311 3327 1 5 . 1 1 65 65 HIS CB C 65 28.565 28.565 30.110 -1.544 19311 3328 1 5 . 1 1 65 65 HIS H H 65 6.651 6.651 7.246 -0.595 19311 3329 1 5 . 1 1 66 66 PHE N N 66 116.823 116.823 119.549 -2.726 19311 3330 1 5 . 1 1 66 66 PHE C C 66 174.308 174.308 174.355 -0.047 19311 3331 1 5 . 1 1 66 66 PHE CA C 66 56.990 56.990 56.995 -0.004 19311 3332 1 5 . 1 1 66 66 PHE CB C 66 41.535 41.535 41.758 -0.223 19311 3333 1 5 . 1 1 66 66 PHE H H 66 7.548 7.548 7.201 0.347 19311 3334 1 5 . 1 1 67 67 ALA N N 67 119.242 119.242 122.211 -2.969 19311 3335 1 5 . 1 1 67 67 ALA C C 67 175.495 175.495 175.104 0.391 19311 3336 1 5 . 1 1 67 67 ALA CA C 67 50.842 50.842 51.516 -0.674 19311 3337 1 5 . 1 1 67 67 ALA CB C 67 24.144 24.144 22.886 1.258 19311 3338 1 5 . 1 1 67 67 ALA H H 67 8.646 8.646 9.224 -0.578 19311 3339 1 5 . 1 1 68 68 LYS N N 68 118.338 118.338 121.915 -3.577 19311 3340 1 5 . 1 1 68 68 LYS C C 68 176.011 176.011 175.686 0.325 19311 3341 1 5 . 1 1 68 68 LYS CA C 68 54.557 54.557 55.035 -0.478 19311 3342 1 5 . 1 1 68 68 LYS CB C 68 34.575 34.575 34.804 -0.229 19311 3343 1 5 . 1 1 68 68 LYS H H 68 8.373 8.373 8.191 0.182 19311 3344 1 5 . 1 1 69 69 ILE N N 69 126.321 126.321 127.525 -1.204 19311 3345 1 5 . 1 1 69 69 ILE C C 69 176.711 176.711 175.960 0.751 19311 3346 1 5 . 1 1 69 69 ILE CA C 69 61.581 61.581 62.272 -0.691 19311 3347 1 5 . 1 1 69 69 ILE CB C 69 37.161 37.161 37.732 -0.571 19311 3348 1 5 . 1 1 69 69 ILE H H 69 9.660 9.660 8.572 1.088 19311 3349 1 5 . 1 1 70 70 THR N N 70 118.154 118.154 118.089 0.065 19311 3350 1 5 . 1 1 70 70 THR C C 70 175.076 175.076 174.155 0.921 19311 3351 1 5 . 1 1 70 70 THR CA C 70 60.883 60.883 62.129 -1.246 19311 3352 1 5 . 1 1 70 70 THR CB C 70 68.643 68.643 71.268 -2.625 19311 3353 1 5 . 1 1 70 70 THR H H 70 8.785 8.785 8.707 0.078 19311 3354 1 5 . 1 1 71 71 LYS N N 71 122.877 122.877 119.662 3.215 19311 3355 1 5 . 1 1 71 71 LYS C C 71 173.355 173.355 173.577 -0.222 19311 3356 1 5 . 1 1 71 71 LYS CA C 71 56.459 56.459 56.556 -0.097 19311 3357 1 5 . 1 1 71 71 LYS CB C 71 34.142 34.142 34.413 -0.271 19311 3358 1 5 . 1 1 71 71 LYS H H 71 7.088 7.088 7.207 -0.119 19311 3359 1 5 . 1 1 72 72 PHE N N 72 122.143 122.143 121.075 1.068 19311 3360 1 5 . 1 1 72 72 PHE C C 72 175.071 175.071 175.742 -0.671 19311 3361 1 5 . 1 1 72 72 PHE CA C 72 57.980 57.980 57.311 0.669 19311 3362 1 5 . 1 1 72 72 PHE CB C 72 39.359 39.359 41.052 -1.693 19311 3363 1 5 . 1 1 72 72 PHE H H 72 8.530 8.530 8.428 0.102 19311 3364 1 5 . 1 1 73 73 TYR N N 73 123.208 123.208 121.890 1.318 19311 3365 1 5 . 1 1 73 73 TYR C C 73 176.295 176.295 175.551 0.744 19311 3366 1 5 . 1 1 73 73 TYR CA C 73 60.464 60.464 59.624 0.840 19311 3367 1 5 . 1 1 73 73 TYR CB C 73 39.634 39.634 39.979 -0.345 19311 3368 1 5 . 1 1 73 73 TYR H H 73 9.437 9.437 9.207 0.230 19311 3369 1 5 . 1 1 74 74 ASN N N 74 113.786 113.786 115.802 -2.016 19311 3370 1 5 . 1 1 74 74 ASN C C 74 172.652 172.652 172.692 -0.040 19311 3371 1 5 . 1 1 74 74 ASN CA C 74 52.675 52.675 53.591 -0.916 19311 3372 1 5 . 1 1 74 74 ASN CB C 74 39.801 39.801 42.348 -2.547 19311 3373 1 5 . 1 1 74 74 ASN H H 74 7.993 7.993 8.102 -0.109 19311 3374 1 5 . 1 1 75 75 VAL N N 75 124.913 124.913 123.103 1.810 19311 3375 1 5 . 1 1 75 75 VAL C C 75 175.179 175.179 174.141 1.038 19311 3376 1 5 . 1 1 75 75 VAL CA C 75 61.422 61.422 60.048 1.374 19311 3377 1 5 . 1 1 75 75 VAL CB C 75 33.185 33.185 34.615 -1.430 19311 3378 1 5 . 1 1 75 75 VAL H H 75 7.721 7.721 8.561 -0.840 19311 3379 1 5 . 1 1 76 76 CYS N N 76 125.698 125.698 127.522 -1.824 19311 3380 1 5 . 1 1 76 76 CYS CA C 76 57.694 57.694 58.464 -0.770 19311 3381 1 5 . 1 1 76 76 CYS CB C 76 27.993 27.993 29.857 -1.864 19311 3382 1 5 . 1 1 76 76 CYS H H 76 8.677 8.677 8.552 0.125 19311 3383 1 5 . 1 1 78 78 TYR N N 78 109.730 109.730 109.669 0.061 19311 3384 1 5 . 1 1 78 78 TYR C C 78 173.592 173.592 174.735 -1.143 19311 3385 1 5 . 1 1 78 78 TYR CA C 78 60.078 60.078 59.345 0.733 19311 3386 1 5 . 1 1 78 78 TYR CB C 78 35.627 35.627 35.755 -0.128 19311 3387 1 5 . 1 1 78 78 TYR H H 78 8.215 8.215 8.056 0.159 19311 3388 1 5 . 1 1 79 79 LYS N N 79 119.181 119.181 120.486 -1.305 19311 3389 1 5 . 1 1 79 79 LYS C C 79 175.198 175.198 175.709 -0.511 19311 3390 1 5 . 1 1 79 79 LYS CA C 79 55.243 55.243 55.181 0.062 19311 3391 1 5 . 1 1 79 79 LYS CB C 79 33.522 33.522 34.313 -0.791 19311 3392 1 5 . 1 1 79 79 LYS H H 79 7.695 7.695 7.739 -0.044 19311 3393 1 5 . 1 1 80 80 VAL N N 80 118.700 118.700 125.057 -6.357 19311 3394 1 5 . 1 1 80 80 VAL C C 80 172.953 172.953 174.840 -1.887 19311 3395 1 5 . 1 1 80 80 VAL CA C 80 61.093 61.093 60.889 0.204 19311 3396 1 5 . 1 1 80 80 VAL CB C 80 34.048 34.048 34.538 -0.490 19311 3397 1 5 . 1 1 80 80 VAL H H 80 7.478 7.478 8.045 -0.567 19311 3398 1 5 . 1 1 81 81 TYR N N 81 128.065 128.065 125.142 2.923 19311 3399 1 5 . 1 1 81 81 TYR C C 81 175.948 175.948 174.673 1.275 19311 3400 1 5 . 1 1 81 81 TYR CA C 81 57.836 57.836 56.473 1.363 19311 3401 1 5 . 1 1 81 81 TYR CB C 81 37.594 37.594 40.027 -2.433 19311 3402 1 5 . 1 1 81 81 TYR H H 81 8.851 8.851 9.357 -0.506 19311 3403 1 5 . 1 1 82 82 ALA N N 82 130.227 130.227 126.312 3.915 19311 3404 1 5 . 1 1 82 82 ALA C C 82 174.291 174.291 175.150 -0.859 19311 3405 1 5 . 1 1 82 82 ALA CA C 82 51.702 51.702 50.872 0.830 19311 3406 1 5 . 1 1 82 82 ALA CB C 82 24.004 24.004 22.802 1.202 19311 3407 1 5 . 1 1 82 82 ALA H H 82 9.673 9.673 9.588 0.085 19311 3408 1 5 . 1 1 83 83 SER N N 83 112.455 112.455 113.684 -1.229 19311 3409 1 5 . 1 1 83 83 SER C C 83 175.055 175.055 173.562 1.493 19311 3410 1 5 . 1 1 83 83 SER CA C 83 56.656 56.656 56.188 0.468 19311 3411 1 5 . 1 1 83 83 SER CB C 83 65.405 65.405 65.264 0.141 19311 3412 1 5 . 1 1 83 83 SER H H 83 8.975 8.975 8.555 0.420 19311 3413 1 5 . 1 1 84 84 ILE N N 84 115.288 115.288 119.434 -4.146 19311 3414 1 5 . 1 1 84 84 ILE C C 84 173.569 173.569 173.625 -0.056 19311 3415 1 5 . 1 1 84 84 ILE CA C 84 57.822 57.822 58.823 -1.001 19311 3416 1 5 . 1 1 84 84 ILE CB C 84 41.310 41.310 42.804 -1.494 19311 3417 1 5 . 1 1 84 84 ILE H H 84 8.657 8.657 8.997 -0.340 19311 3418 1 5 . 1 1 85 85 ARG N N 85 116.138 116.138 120.947 -4.809 19311 3419 1 5 . 1 1 85 85 ARG C C 85 174.594 174.594 174.604 -0.010 19311 3420 1 5 . 1 1 85 85 ARG CA C 85 52.721 52.721 55.076 -2.355 19311 3421 1 5 . 1 1 85 85 ARG CB C 85 33.188 33.188 34.603 -1.415 19311 3422 1 5 . 1 1 85 85 ARG H H 85 9.306 9.306 8.848 0.458 19311 3423 1 5 . 1 1 86 86 ASP N N 86 121.622 121.622 125.858 -4.236 19311 3424 1 5 . 1 1 86 86 ASP C C 86 175.804 175.804 176.302 -0.498 19311 3425 1 5 . 1 1 86 86 ASP CA C 86 51.666 51.666 52.755 -1.089 19311 3426 1 5 . 1 1 86 86 ASP CB C 86 38.969 38.969 41.684 -2.715 19311 3427 1 5 . 1 1 86 86 ASP H H 86 7.506 7.506 8.118 -0.612 19311 3428 1 5 . 1 1 87 87 SER N N 87 109.487 109.487 113.437 -3.950 19311 3429 1 5 . 1 1 87 87 SER C C 87 174.343 174.343 175.182 -0.839 19311 3430 1 5 . 1 1 87 87 SER CA C 87 59.775 59.775 60.563 -0.788 19311 3431 1 5 . 1 1 87 87 SER CB C 87 62.824 62.824 63.703 -0.879 19311 3432 1 5 . 1 1 87 87 SER H H 87 6.452 6.452 8.606 -2.154 19311 3433 1 5 . 1 1 88 88 SER N N 88 117.714 117.714 115.365 2.349 19311 3434 1 5 . 1 1 88 88 SER C C 88 172.322 172.322 173.684 -1.362 19311 3435 1 5 . 1 1 88 88 SER CA C 88 60.625 60.625 58.457 2.168 19311 3436 1 5 . 1 1 88 88 SER CB C 88 66.392 66.392 63.908 2.484 19311 3437 1 5 . 1 1 88 88 SER H H 88 8.852 8.852 8.411 0.441 19311 3438 1 5 . 1 1 89 89 HIS N N 89 121.987 121.987 120.619 1.368 19311 3439 1 5 . 1 1 89 89 HIS C C 89 173.253 173.253 174.209 -0.956 19311 3440 1 5 . 1 1 89 89 HIS CA C 89 55.530 55.530 54.730 0.800 19311 3441 1 5 . 1 1 89 89 HIS CB C 89 36.622 36.622 32.713 3.909 19311 3442 1 5 . 1 1 89 89 HIS H H 89 9.568 9.568 8.094 1.474 19311 3443 1 5 . 1 1 90 90 GLN N N 90 112.816 112.816 116.626 -3.810 19311 3444 1 5 . 1 1 90 90 GLN C C 90 175.640 175.640 173.936 1.704 19311 3445 1 5 . 1 1 90 90 GLN CA C 90 53.060 53.060 54.244 -1.184 19311 3446 1 5 . 1 1 90 90 GLN CB C 90 32.977 32.977 32.245 0.732 19311 3447 1 5 . 1 1 90 90 GLN H H 90 7.942 7.942 8.687 -0.745 19311 3448 1 5 . 1 1 91 91 ILE N N 91 119.354 119.354 119.744 -0.390 19311 3449 1 5 . 1 1 91 91 ILE C C 91 172.309 172.309 173.943 -1.634 19311 3450 1 5 . 1 1 91 91 ILE CA C 91 61.019 61.019 59.319 1.700 19311 3451 1 5 . 1 1 91 91 ILE CB C 91 41.077 41.077 42.771 -1.694 19311 3452 1 5 . 1 1 91 91 ILE H H 91 8.937 8.937 8.820 0.117 19311 3453 1 5 . 1 1 92 92 LEU N N 92 125.414 125.414 126.475 -1.061 19311 3454 1 5 . 1 1 92 92 LEU C C 92 175.848 175.848 175.685 0.163 19311 3455 1 5 . 1 1 92 92 LEU CA C 92 55.084 55.084 55.451 -0.367 19311 3456 1 5 . 1 1 92 92 LEU CB C 92 40.637 40.637 42.219 -1.582 19311 3457 1 5 . 1 1 92 92 LEU H H 92 7.192 7.192 8.755 -1.563 19311 3458 1 5 . 1 1 93 93 VAL N N 93 116.666 116.666 121.663 -4.997 19311 3459 1 5 . 1 1 93 93 VAL C C 93 173.013 173.013 173.725 -0.712 19311 3460 1 5 . 1 1 93 93 VAL CA C 93 58.637 58.637 59.302 -0.665 19311 3461 1 5 . 1 1 93 93 VAL CB C 93 35.844 35.844 35.657 0.187 19311 3462 1 5 . 1 1 93 93 VAL H H 93 9.225 9.225 9.240 -0.015 19311 3463 1 5 . 1 1 94 94 GLU N N 94 124.248 124.248 123.382 0.866 19311 3464 1 5 . 1 1 94 94 GLU CA C 94 53.418 53.418 53.340 0.078 19311 3465 1 5 . 1 1 94 94 GLU CB C 94 32.133 32.133 33.485 -1.352 19311 3466 1 5 . 1 1 94 94 GLU H H 94 8.549 8.549 9.023 -0.474 19311 3467 1 5 . 1 1 95 95 PHE C C 95 175.472 175.472 175.928 -0.456 19311 3468 1 5 . 1 1 95 95 PHE CA C 95 56.710 56.710 56.057 0.653 19311 3469 1 5 . 1 1 95 95 PHE CB C 95 38.774 38.774 42.525 -3.751 19311 3470 1 5 . 1 1 96 96 SER N N 96 119.651 119.651 117.745 1.906 19311 3471 1 5 . 1 1 96 96 SER C C 96 173.024 173.024 175.492 -2.468 19311 3472 1 5 . 1 1 96 96 SER CA C 96 57.233 57.233 57.765 -0.532 19311 3473 1 5 . 1 1 96 96 SER CB C 96 65.249 65.249 64.820 0.429 19311 3474 1 5 . 1 1 96 96 SER H H 96 8.203 8.203 8.742 -0.539 19311 3475 1 5 . 1 1 97 97 GLN N N 97 120.894 120.894 122.930 -2.036 19311 3476 1 5 . 1 1 97 97 GLN C C 97 179.424 179.424 178.171 1.253 19311 3477 1 5 . 1 1 97 97 GLN CA C 97 58.799 58.799 59.820 -1.021 19311 3478 1 5 . 1 1 97 97 GLN CB C 97 26.863 26.863 28.569 -1.706 19311 3479 1 5 . 1 1 97 97 GLN H H 97 8.949 8.949 9.068 -0.119 19311 3480 1 5 . 1 1 98 98 GLU N N 98 121.467 121.467 118.887 2.580 19311 3481 1 5 . 1 1 98 98 GLU C C 98 177.401 177.401 178.777 -1.376 19311 3482 1 5 . 1 1 98 98 GLU CA C 98 59.056 59.056 59.331 -0.275 19311 3483 1 5 . 1 1 98 98 GLU CB C 98 28.654 28.654 29.267 -0.613 19311 3484 1 5 . 1 1 98 98 GLU H H 98 8.759 8.759 8.708 0.051 19311 3485 1 5 . 1 1 99 99 CYS N N 99 122.363 122.363 120.343 2.020 19311 3486 1 5 . 1 1 99 99 CYS C C 99 178.667 178.667 177.096 1.571 19311 3487 1 5 . 1 1 99 99 CYS CA C 99 61.683 61.683 63.446 -1.763 19311 3488 1 5 . 1 1 99 99 CYS CB C 99 27.002 27.002 26.631 0.371 19311 3489 1 5 . 1 1 99 99 CYS H H 99 8.194 8.194 8.113 0.081 19311 3490 1 5 . 1 1 100 100 VAL N N 100 120.067 120.067 119.464 0.603 19311 3491 1 5 . 1 1 100 100 VAL C C 100 178.191 178.191 178.036 0.155 19311 3492 1 5 . 1 1 100 100 VAL CA C 100 66.503 66.503 66.597 -0.094 19311 3493 1 5 . 1 1 100 100 VAL CB C 100 31.299 31.299 31.673 -0.374 19311 3494 1 5 . 1 1 100 100 VAL H H 100 8.584 8.584 7.708 0.876 19311 3495 1 5 . 1 1 101 101 SER N N 101 117.155 117.155 116.732 0.423 19311 3496 1 5 . 1 1 101 101 SER C C 101 177.930 177.930 176.724 1.206 19311 3497 1 5 . 1 1 101 101 SER CA C 101 61.182 61.182 61.755 -0.573 19311 3498 1 5 . 1 1 101 101 SER CB C 101 62.112 62.112 62.808 -0.696 19311 3499 1 5 . 1 1 101 101 SER H H 101 8.685 8.685 8.209 0.476 19311 3500 1 5 . 1 1 102 102 ASN N N 102 120.931 120.931 120.007 0.924 19311 3501 1 5 . 1 1 102 102 ASN C C 102 178.047 178.047 177.335 0.712 19311 3502 1 5 . 1 1 102 102 ASN CA C 102 56.108 56.108 55.680 0.428 19311 3503 1 5 . 1 1 102 102 ASN CB C 102 37.456 37.456 38.053 -0.597 19311 3504 1 5 . 1 1 102 102 ASN H H 102 8.638 8.638 8.264 0.374 19311 3505 1 5 . 1 1 103 103 PHE N N 103 124.907 124.907 122.337 2.570 19311 3506 1 5 . 1 1 103 103 PHE C C 103 177.886 177.886 177.370 0.516 19311 3507 1 5 . 1 1 103 103 PHE CA C 103 61.734 61.734 62.139 -0.405 19311 3508 1 5 . 1 1 103 103 PHE CB C 103 38.976 38.976 39.133 -0.157 19311 3509 1 5 . 1 1 103 103 PHE H H 103 8.495 8.495 8.616 -0.121 19311 3510 1 5 . 1 1 104 104 GLU N N 104 120.930 120.930 119.556 1.374 19311 3511 1 5 . 1 1 104 104 GLU C C 104 180.036 180.036 179.440 0.596 19311 3512 1 5 . 1 1 104 104 GLU CA C 104 59.070 59.070 59.272 -0.202 19311 3513 1 5 . 1 1 104 104 GLU CB C 104 28.323 28.323 29.616 -1.293 19311 3514 1 5 . 1 1 104 104 GLU H H 104 8.614 8.614 8.494 0.120 19311 3515 1 5 . 1 1 105 105 ARG N N 105 119.201 119.201 118.286 0.915 19311 3516 1 5 . 1 1 105 105 ARG C C 105 178.097 178.097 178.478 -0.381 19311 3517 1 5 . 1 1 105 105 ARG CA C 105 58.179 58.179 59.099 -0.920 19311 3518 1 5 . 1 1 105 105 ARG CB C 105 29.305 29.305 30.193 -0.888 19311 3519 1 5 . 1 1 105 105 ARG H H 105 7.976 7.976 7.634 0.342 19311 3520 1 5 . 1 1 106 106 THR N N 106 114.725 114.725 113.130 1.595 19311 3521 1 5 . 1 1 106 106 THR C C 106 175.323 175.323 175.828 -0.505 19311 3522 1 5 . 1 1 106 106 THR CA C 106 65.164 65.164 65.544 -0.380 19311 3523 1 5 . 1 1 106 106 THR CB C 106 68.964 68.964 68.885 0.079 19311 3524 1 5 . 1 1 106 106 THR H H 106 7.744 7.744 7.957 -0.213 19311 3525 1 5 . 1 1 107 107 HIS N N 107 116.911 116.911 115.877 1.034 19311 3526 1 5 . 1 1 107 107 HIS C C 107 174.769 174.769 174.456 0.313 19311 3527 1 5 . 1 1 107 107 HIS CA C 107 56.636 56.636 56.762 -0.126 19311 3528 1 5 . 1 1 107 107 HIS CB C 107 29.833 29.833 30.457 -0.624 19311 3529 1 5 . 1 1 107 107 HIS H H 107 8.033 8.033 7.812 0.221 19311 3530 1 5 . 1 1 108 108 ASN N N 108 118.204 118.204 116.346 1.858 19311 3531 1 5 . 1 1 108 108 ASN C C 108 173.328 173.328 174.260 -0.932 19311 3532 1 5 . 1 1 108 108 ASN CA C 108 53.859 53.859 54.595 -0.736 19311 3533 1 5 . 1 1 108 108 ASN CB C 108 36.623 36.623 36.155 0.468 19311 3534 1 5 . 1 1 108 108 ASN H H 108 8.135 8.135 8.215 -0.080 19311 3535 1 5 . 1 1 109 109 CYS N N 109 111.643 111.643 112.461 -0.818 19311 3536 1 5 . 1 1 109 109 CYS C C 109 171.934 171.934 173.607 -1.673 19311 3537 1 5 . 1 1 109 109 CYS CA C 109 55.233 55.233 56.477 -1.244 19311 3538 1 5 . 1 1 109 109 CYS CB C 109 29.518 29.518 30.990 -1.472 19311 3539 1 5 . 1 1 109 109 CYS H H 109 7.493 7.493 7.586 -0.093 19311 3540 1 5 . 1 1 110 110 ARG N N 110 117.680 117.680 120.504 -2.824 19311 3541 1 5 . 1 1 110 110 ARG C C 110 179.018 179.018 177.772 1.246 19311 3542 1 5 . 1 1 110 110 ARG CA C 110 54.914 54.914 55.727 -0.813 19311 3543 1 5 . 1 1 110 110 ARG CB C 110 30.252 30.252 30.865 -0.613 19311 3544 1 5 . 1 1 110 110 ARG H H 110 8.271 8.271 8.610 -0.339 19311 3545 1 5 . 1 1 111 111 ILE N N 111 124.684 124.684 122.246 2.438 19311 3546 1 5 . 1 1 111 111 ILE CA C 111 63.115 63.115 62.861 0.254 19311 3547 1 5 . 1 1 111 111 ILE CB C 111 37.530 37.530 37.286 0.244 19311 3548 1 5 . 1 1 111 111 ILE H H 111 9.551 9.551 8.582 0.969 19311 3549 1 5 . 1 1 112 112 THR N N 112 106.975 106.975 107.695 -0.720 19311 3550 1 5 . 1 1 112 112 THR C C 112 175.160 175.160 173.843 1.317 19311 3551 1 5 . 1 1 112 112 THR CA C 112 60.029 60.029 60.833 -0.804 19311 3552 1 5 . 1 1 112 112 THR CB C 112 67.949 67.949 68.508 -0.559 19311 3553 1 5 . 1 1 112 112 THR H H 112 6.484 6.484 7.578 -1.094 19311 3554 1 5 . 1 1 113 113 SER N N 113 118.281 118.281 117.120 1.161 19311 3555 1 5 . 1 1 113 113 SER C C 113 173.813 173.813 174.365 -0.552 19311 3556 1 5 . 1 1 113 113 SER CA C 113 58.470 58.470 57.816 0.654 19311 3557 1 5 . 1 1 113 113 SER CB C 113 62.730 62.730 63.145 -0.415 19311 3558 1 5 . 1 1 113 113 SER H H 113 7.446 7.446 7.369 0.077 19311 3559 1 5 . 1 1 114 114 GLU N N 114 121.273 121.273 123.675 -2.402 19311 3560 1 5 . 1 1 114 114 GLU CA C 114 56.911 56.911 57.415 -0.504 19311 3561 1 5 . 1 1 114 114 GLU CB C 114 27.463 27.463 27.992 -0.529 19311 3562 1 5 . 1 1 114 114 GLU H H 114 8.350 8.350 8.889 -0.539 19311 3563 1 5 . 1 1 115 115 THR N N 115 109.184 109.184 105.928 3.256 19311 3564 1 5 . 1 1 115 115 THR C C 115 177.031 177.031 176.099 0.932 19311 3565 1 5 . 1 1 115 115 THR CA C 115 61.908 61.908 62.745 -0.837 19311 3566 1 5 . 1 1 115 115 THR CB C 115 69.072 69.072 69.765 -0.693 19311 3567 1 5 . 1 1 115 115 THR H H 115 7.689 7.689 8.107 -0.418 19311 3568 1 5 . 1 1 116 116 THR N N 116 115.339 115.339 114.065 1.274 19311 3569 1 5 . 1 1 116 116 THR C C 116 175.023 175.023 174.492 0.531 19311 3570 1 5 . 1 1 116 116 THR CA C 116 63.834 63.834 64.134 -0.300 19311 3571 1 5 . 1 1 116 116 THR CB C 116 68.130 68.130 68.915 -0.785 19311 3572 1 5 . 1 1 116 116 THR H H 116 7.979 7.979 8.544 -0.565 19311 3573 1 5 . 1 1 117 117 ASN N N 117 118.558 118.558 116.149 2.409 19311 3574 1 5 . 1 1 117 117 ASN C C 117 174.413 174.413 174.201 0.212 19311 3575 1 5 . 1 1 117 117 ASN CA C 117 53.549 53.549 51.314 2.235 19311 3576 1 5 . 1 1 117 117 ASN CB C 117 37.548 37.548 37.480 0.068 19311 3577 1 5 . 1 1 117 117 ASN H H 117 8.295 8.295 8.172 0.123 19311 3578 1 5 . 1 1 118 118 CYS N N 118 116.611 116.611 118.308 -1.697 19311 3579 1 5 . 1 1 118 118 CYS C C 118 174.430 174.430 173.462 0.968 19311 3580 1 5 . 1 1 118 118 CYS CA C 118 58.206 58.206 58.351 -0.145 19311 3581 1 5 . 1 1 118 118 CYS CB C 118 28.866 28.866 31.876 -3.010 19311 3582 1 5 . 1 1 118 118 CYS H H 118 7.548 7.548 7.701 -0.153 19311 3583 1 5 . 1 1 119 119 LEU N N 119 125.613 125.613 119.737 5.876 19311 3584 1 5 . 1 1 119 119 LEU C C 119 174.612 174.612 175.696 -1.084 19311 3585 1 5 . 1 1 119 119 LEU CA C 119 54.869 54.869 53.814 1.055 19311 3586 1 5 . 1 1 119 119 LEU CB C 119 42.394 42.394 44.097 -1.703 19311 3587 1 5 . 1 1 119 119 LEU H H 119 8.840 8.840 8.577 0.263 19311 3588 1 5 . 1 1 120 120 MET N N 120 128.079 128.079 122.293 5.786 19311 3589 1 5 . 1 1 120 120 MET C C 120 174.384 174.384 174.347 0.037 19311 3590 1 5 . 1 1 120 120 MET CA C 120 53.292 53.292 54.323 -1.031 19311 3591 1 5 . 1 1 120 120 MET H H 120 9.274 9.274 9.045 0.229 19311 3592 1 5 . 1 1 121 121 ILE N N 121 120.093 120.093 126.471 -6.378 19311 3593 1 5 . 1 1 121 121 ILE C C 121 176.479 176.479 175.187 1.292 19311 3594 1 5 . 1 1 121 121 ILE CA C 121 55.536 55.536 59.753 -4.217 19311 3595 1 5 . 1 1 121 121 ILE CB C 121 36.335 36.335 39.227 -2.892 19311 3596 1 5 . 1 1 121 121 ILE H H 121 8.527 8.527 9.214 -0.687 19311 3597 1 5 . 1 1 122 122 ILE N N 122 119.127 119.127 122.186 -3.059 19311 3598 1 5 . 1 1 122 122 ILE C C 122 174.904 174.904 174.877 0.027 19311 3599 1 5 . 1 1 122 122 ILE CA C 122 57.790 57.790 58.420 -0.631 19311 3600 1 5 . 1 1 122 122 ILE CB C 122 41.605 41.605 41.733 -0.128 19311 3601 1 5 . 1 1 122 122 ILE H H 122 8.913 8.913 8.824 0.089 19311 3602 1 5 . 1 1 123 123 GLY N N 123 106.647 106.647 109.203 -2.556 19311 3603 1 5 . 1 1 123 123 GLY C C 123 170.571 170.571 172.214 -1.643 19311 3604 1 5 . 1 1 123 123 GLY CA C 123 43.698 43.698 44.699 -1.001 19311 3605 1 5 . 1 1 123 123 GLY H H 123 8.373 8.373 8.835 -0.462 19311 3606 1 5 . 1 1 124 124 ASP N N 124 119.021 119.021 119.741 -0.720 19311 3607 1 5 . 1 1 124 124 ASP C C 124 174.481 174.481 174.095 0.386 19311 3608 1 5 . 1 1 124 124 ASP CA C 124 53.993 53.993 55.045 -1.052 19311 3609 1 5 . 1 1 124 124 ASP CB C 124 39.163 39.163 40.005 -0.842 19311 3610 1 5 . 1 1 124 124 ASP H H 124 7.712 7.712 8.344 -0.632 19311 3611 1 5 . 1 1 125 125 ALA N N 125 122.997 122.997 122.606 0.391 19311 3612 1 5 . 1 1 125 125 ALA C C 125 175.798 175.798 175.380 0.418 19311 3613 1 5 . 1 1 125 125 ALA CA C 125 49.258 49.258 50.498 -1.240 19311 3614 1 5 . 1 1 125 125 ALA CB C 125 23.466 23.466 23.520 -0.054 19311 3615 1 5 . 1 1 125 125 ALA H H 125 8.502 8.502 7.766 0.736 19311 3616 1 5 . 1 1 126 126 ASP N N 126 121.643 121.643 120.221 1.422 19311 3617 1 5 . 1 1 126 126 ASP C C 126 174.129 174.129 174.681 -0.552 19311 3618 1 5 . 1 1 126 126 ASP CA C 126 51.984 51.984 52.111 -0.126 19311 3619 1 5 . 1 1 126 126 ASP CB C 126 43.380 43.380 44.460 -1.080 19311 3620 1 5 . 1 1 126 126 ASP H H 126 8.656 8.656 8.938 -0.282 19311 3621 1 5 . 1 1 127 127 LEU N N 127 124.869 124.869 119.652 5.217 19311 3622 1 5 . 1 1 127 127 LEU C C 127 175.007 175.007 177.092 -2.085 19311 3623 1 5 . 1 1 127 127 LEU CA C 127 53.944 53.944 54.063 -0.119 19311 3624 1 5 . 1 1 127 127 LEU CB C 127 43.759 43.759 43.377 0.382 19311 3625 1 5 . 1 1 127 127 LEU H H 127 8.886 8.886 8.130 0.756 19311 3626 1 5 . 1 1 128 128 VAL N N 128 122.817 122.817 122.190 0.627 19311 3627 1 5 . 1 1 128 128 VAL C C 128 173.242 173.242 174.820 -1.578 19311 3628 1 5 . 1 1 128 128 VAL CA C 128 58.875 58.875 60.724 -1.849 19311 3629 1 5 . 1 1 128 128 VAL CB C 128 34.062 34.062 35.890 -1.828 19311 3630 1 5 . 1 1 128 128 VAL H H 128 8.737 8.737 9.104 -0.367 19311 3631 1 5 . 1 1 129 129 TYR N N 129 120.375 120.375 127.782 -7.407 19311 3632 1 5 . 1 1 129 129 TYR C C 129 176.280 176.280 176.023 0.257 19311 3633 1 5 . 1 1 129 129 TYR CA C 129 57.265 57.265 56.761 0.504 19311 3634 1 5 . 1 1 129 129 TYR CB C 129 38.931 38.931 37.213 1.718 19311 3635 1 5 . 1 1 129 129 TYR H H 129 8.585 8.585 8.782 -0.197 19311 3636 1 5 . 1 1 130 130 VAL N N 130 121.466 121.466 119.047 2.419 19311 3637 1 5 . 1 1 130 130 VAL C C 130 174.139 174.139 174.612 -0.473 19311 3638 1 5 . 1 1 130 130 VAL CA C 130 59.324 59.324 59.404 -0.080 19311 3639 1 5 . 1 1 130 130 VAL CB C 130 34.193 34.193 35.056 -0.863 19311 3640 1 5 . 1 1 130 130 VAL H H 130 8.851 8.851 8.704 0.147 19311 3641 1 5 . 1 1 131 131 THR N N 131 113.648 113.648 113.625 0.023 19311 3642 1 5 . 1 1 131 131 THR C C 131 175.861 175.861 175.819 0.042 19311 3643 1 5 . 1 1 131 131 THR CA C 131 59.748 59.748 59.680 0.068 19311 3644 1 5 . 1 1 131 131 THR CB C 131 70.864 70.864 71.052 -0.188 19311 3645 1 5 . 1 1 131 131 THR H H 131 7.768 7.768 8.181 -0.413 19311 3646 1 5 . 1 1 132 132 ASN N N 132 119.407 119.407 120.251 -0.844 19311 3647 1 5 . 1 1 132 132 ASN CA C 132 56.643 56.643 56.748 -0.105 19311 3648 1 5 . 1 1 132 132 ASN CB C 132 38.269 38.269 38.119 0.150 19311 3649 1 5 . 1 1 132 132 ASN H H 132 8.518 8.518 8.463 0.055 19311 3650 1 5 . 1 1 133 133 SER C C 133 176.763 176.763 176.835 -0.072 19311 3651 1 5 . 1 1 133 133 SER CA C 133 61.287 61.287 61.765 -0.478 19311 3652 1 5 . 1 1 134 134 ARG N N 134 124.193 124.193 122.344 1.849 19311 3653 1 5 . 1 1 134 134 ARG C C 134 178.393 178.393 178.724 -0.331 19311 3654 1 5 . 1 1 134 134 ARG CA C 134 57.034 57.034 58.944 -1.911 19311 3655 1 5 . 1 1 134 134 ARG CB C 134 29.051 29.051 30.350 -1.299 19311 3656 1 5 . 1 1 134 134 ARG H H 134 7.333 7.333 7.892 -0.559 19311 3657 1 5 . 1 1 135 135 ALA N N 135 124.165 124.165 123.662 0.503 19311 3658 1 5 . 1 1 135 135 ALA C C 135 180.063 180.063 179.751 0.312 19311 3659 1 5 . 1 1 135 135 ALA CA C 135 55.239 55.239 55.148 0.091 19311 3660 1 5 . 1 1 135 135 ALA CB C 135 16.063 16.063 18.286 -2.223 19311 3661 1 5 . 1 1 135 135 ALA H H 135 8.656 8.656 8.343 0.313 19311 3662 1 5 . 1 1 136 136 MET N N 136 117.770 117.770 117.641 0.129 19311 3663 1 5 . 1 1 136 136 MET C C 136 178.837 178.837 178.117 0.720 19311 3664 1 5 . 1 1 136 136 MET CA C 136 58.214 58.214 57.110 1.104 19311 3665 1 5 . 1 1 136 136 MET CB C 136 31.493 31.493 32.326 -0.833 19311 3666 1 5 . 1 1 136 136 MET H H 136 8.211 8.211 8.419 -0.208 19311 3667 1 5 . 1 1 137 137 SER N N 137 114.607 114.607 114.246 0.361 19311 3668 1 5 . 1 1 137 137 SER C C 137 176.196 176.196 176.547 -0.351 19311 3669 1 5 . 1 1 137 137 SER CA C 137 60.589 60.589 61.170 -0.581 19311 3670 1 5 . 1 1 137 137 SER CB C 137 62.236 62.236 62.839 -0.603 19311 3671 1 5 . 1 1 137 137 SER H H 137 8.021 8.021 8.036 -0.015 19311 3672 1 5 . 1 1 138 138 HIS N N 138 120.793 120.793 118.372 2.421 19311 3673 1 5 . 1 1 138 138 HIS C C 138 174.530 174.530 176.382 -1.852 19311 3674 1 5 . 1 1 138 138 HIS CA C 138 58.296 58.296 57.833 0.463 19311 3675 1 5 . 1 1 138 138 HIS CB C 138 29.593 29.593 30.684 -1.091 19311 3676 1 5 . 1 1 138 138 HIS H H 138 8.462 8.462 8.030 0.432 19311 3677 1 5 . 1 1 139 139 PHE N N 139 114.046 114.046 115.775 -1.729 19311 3678 1 5 . 1 1 139 139 PHE C C 139 173.540 173.540 175.146 -1.606 19311 3679 1 5 . 1 1 139 139 PHE CA C 139 58.722 58.722 58.867 -0.145 19311 3680 1 5 . 1 1 139 139 PHE CB C 139 38.583 38.583 39.597 -1.014 19311 3681 1 5 . 1 1 139 139 PHE H H 139 7.466 7.466 7.573 -0.107 19311 3682 1 5 . 1 1 140 140 LYS N N 140 110.734 110.734 116.190 -5.456 19311 3683 1 5 . 1 1 140 140 LYS C C 140 175.951 175.951 175.177 0.774 19311 3684 1 5 . 1 1 140 140 LYS CA C 140 56.106 56.106 56.803 -0.697 19311 3685 1 5 . 1 1 140 140 LYS CB C 140 27.887 27.887 29.463 -1.576 19311 3686 1 5 . 1 1 140 140 LYS H H 140 7.141 7.141 7.725 -0.584 19311 3687 1 5 . 1 1 141 141 ILE N N 141 114.716 114.716 118.531 -3.815 19311 3688 1 5 . 1 1 141 141 ILE C C 141 173.514 173.514 173.871 -0.357 19311 3689 1 5 . 1 1 141 141 ILE CA C 141 58.801 58.801 59.575 -0.774 19311 3690 1 5 . 1 1 141 141 ILE CB C 141 41.595 41.595 40.539 1.056 19311 3691 1 5 . 1 1 141 141 ILE H H 141 7.309 7.309 7.899 -0.590 19311 3692 1 5 . 1 1 142 142 SER N N 142 115.031 115.031 121.326 -6.295 19311 3693 1 5 . 1 1 142 142 SER C C 142 176.437 176.437 175.703 0.734 19311 3694 1 5 . 1 1 142 142 SER CA C 142 55.685 55.685 58.969 -3.284 19311 3695 1 5 . 1 1 142 142 SER CB C 142 62.911 62.911 63.811 -0.900 19311 3696 1 5 . 1 1 142 142 SER H H 142 7.814 7.814 8.331 -0.517 19311 3697 1 5 . 1 1 143 143 LEU N N 143 127.405 127.405 129.362 -1.957 19311 3698 1 5 . 1 1 143 143 LEU C C 143 178.496 178.496 177.671 0.825 19311 3699 1 5 . 1 1 143 143 LEU CA C 143 56.183 56.183 56.118 0.065 19311 3700 1 5 . 1 1 143 143 LEU CB C 143 40.186 40.186 42.052 -1.866 19311 3701 1 5 . 1 1 143 143 LEU H H 143 8.735 8.735 9.204 -0.469 19311 3702 1 5 . 1 1 144 144 SER N N 144 114.479 114.479 114.767 -0.288 19311 3703 1 5 . 1 1 144 144 SER CA C 144 60.242 60.242 61.885 -1.643 19311 3704 1 5 . 1 1 144 144 SER CB C 144 61.694 61.694 62.466 -0.772 19311 3705 1 5 . 1 1 144 144 SER H H 144 8.140 8.140 7.925 0.215 19311 3706 1 5 . 1 1 145 145 ASN N N 145 117.299 117.299 118.910 -1.611 19311 3707 1 5 . 1 1 145 145 ASN C C 145 175.940 175.940 175.590 0.350 19311 3708 1 5 . 1 1 145 145 ASN CA C 145 54.269 54.269 54.292 -0.023 19311 3709 1 5 . 1 1 145 145 ASN CB C 145 38.284 38.284 40.209 -1.925 19311 3710 1 5 . 1 1 145 145 ASN H H 145 7.735 7.735 7.542 0.193 19311 3711 1 5 . 1 1 146 146 ILE N N 146 112.479 112.479 112.245 0.234 19311 3712 1 5 . 1 1 146 146 ILE C C 146 174.155 174.155 174.427 -0.272 19311 3713 1 5 . 1 1 146 146 ILE CA C 146 60.838 60.838 61.299 -0.461 19311 3714 1 5 . 1 1 146 146 ILE CB C 146 39.123 39.123 38.617 0.506 19311 3715 1 5 . 1 1 146 146 ILE H H 146 7.489 7.489 7.289 0.200 19311 3716 1 5 . 1 1 147 147 SER N N 147 114.961 114.961 114.872 0.089 19311 3717 1 5 . 1 1 147 147 SER CA C 147 56.770 56.770 59.166 -2.396 19311 3718 1 5 . 1 1 147 147 SER CB C 147 64.077 64.077 65.816 -1.739 19311 3719 1 5 . 1 1 147 147 SER H H 147 7.794 7.794 8.054 -0.260 19311 3720 1 5 . 1 1 148 148 SER C C 148 174.292 174.292 173.639 0.653 19311 3721 1 5 . 1 1 148 148 SER CA C 148 58.192 58.192 60.067 -1.875 19311 3722 1 5 . 1 1 148 148 SER CB C 148 62.840 62.840 61.703 1.137 19311 3723 1 5 . 1 1 149 149 LYS N N 149 122.096 122.096 119.288 2.808 19311 3724 1 5 . 1 1 149 149 LYS CA C 149 54.607 54.607 53.545 1.062 19311 3725 1 5 . 1 1 149 149 LYS CB C 149 33.707 33.707 33.994 -0.287 19311 3726 1 5 . 1 1 149 149 LYS H H 149 8.049 8.049 7.557 0.492 19311 3727 1 5 . 1 1 150 150 GLU N N 150 120.070 120.070 119.022 1.048 19311 3728 1 5 . 1 1 150 150 GLU C C 150 174.162 174.162 176.067 -1.905 19311 3729 1 5 . 1 1 150 150 GLU CA C 150 56.703 56.703 58.294 -1.591 19311 3730 1 5 . 1 1 150 150 GLU CB C 150 29.037 29.037 30.580 -1.543 19311 3731 1 5 . 1 1 150 150 GLU H H 150 8.613 8.613 8.639 -0.026 19311 3732 1 5 . 1 1 151 151 ILE N N 151 118.006 118.006 116.825 1.181 19311 3733 1 5 . 1 1 151 151 ILE C C 151 175.069 175.069 174.562 0.507 19311 3734 1 5 . 1 1 151 151 ILE CA C 151 59.088 59.088 59.743 -0.655 19311 3735 1 5 . 1 1 151 151 ILE CB C 151 39.773 39.773 41.366 -1.593 19311 3736 1 5 . 1 1 151 151 ILE H H 151 6.873 6.873 7.389 -0.516 19311 3737 1 5 . 1 1 152 152 VAL N N 152 117.278 117.278 124.325 -7.047 19311 3738 1 5 . 1 1 152 152 VAL CA C 152 56.340 56.340 57.418 -1.078 19311 3739 1 5 . 1 1 152 152 VAL CB C 152 33.340 33.340 35.731 -2.391 19311 3740 1 5 . 1 1 152 152 VAL H H 152 8.401 8.401 8.820 -0.419 19311 3741 1 5 . 1 1 153 153 PRO C C 153 175.090 175.090 176.085 -0.995 19311 3742 1 5 . 1 1 153 153 PRO CA C 153 60.885 60.885 62.469 -1.585 19311 3743 1 5 . 1 1 153 153 PRO CB C 153 31.113 31.113 31.644 -0.531 19311 3744 1 5 . 1 1 154 154 VAL N N 154 124.951 124.951 115.725 9.226 19311 3745 1 5 . 1 1 154 154 VAL C C 154 174.325 174.325 174.065 0.260 19311 3746 1 5 . 1 1 154 154 VAL CA C 154 59.700 59.700 58.721 0.979 19311 3747 1 5 . 1 1 154 154 VAL CB C 154 35.364 35.364 35.643 -0.279 19311 3748 1 5 . 1 1 154 154 VAL H H 154 9.206 9.206 8.656 0.550 19311 3749 1 5 . 1 1 155 155 LEU N N 155 122.272 122.272 122.953 -0.681 19311 3750 1 5 . 1 1 155 155 LEU C C 155 174.865 174.865 174.760 0.105 19311 3751 1 5 . 1 1 155 155 LEU CA C 155 52.543 52.543 53.388 -0.845 19311 3752 1 5 . 1 1 155 155 LEU CB C 155 43.016 43.016 43.947 -0.931 19311 3753 1 5 . 1 1 155 155 LEU H H 155 7.818 7.818 8.282 -0.464 19311 3754 1 5 . 1 1 156 156 ASN N N 156 126.663 126.663 125.953 0.710 19311 3755 1 5 . 1 1 156 156 ASN C C 156 174.956 174.956 173.964 0.992 19311 3756 1 5 . 1 1 156 156 ASN CA C 156 51.381 51.381 51.865 -0.484 19311 3757 1 5 . 1 1 156 156 ASN CB C 156 38.588 38.588 40.831 -2.243 19311 3758 1 5 . 1 1 156 156 ASN H H 156 9.256 9.256 9.004 0.252 19311 3759 1 5 . 1 1 157 157 VAL N N 157 126.547 126.547 126.367 0.180 19311 3760 1 5 . 1 1 157 157 VAL C C 157 174.990 174.990 175.150 -0.160 19311 3761 1 5 . 1 1 157 157 VAL CA C 157 62.737 62.737 61.609 1.128 19311 3762 1 5 . 1 1 157 157 VAL CB C 157 33.901 33.901 33.910 -0.009 19311 3763 1 5 . 1 1 157 157 VAL H H 157 8.730 8.730 8.808 -0.078 19311 3764 1 5 . 1 1 158 158 ASN N N 158 122.925 122.925 124.813 -1.888 19311 3765 1 5 . 1 1 158 158 ASN C C 158 174.151 174.151 175.230 -1.079 19311 3766 1 5 . 1 1 158 158 ASN CA C 158 53.155 53.155 54.515 -1.360 19311 3767 1 5 . 1 1 158 158 ASN CB C 158 40.955 40.955 39.878 1.077 19311 3768 1 5 . 1 1 158 158 ASN H H 158 8.086 8.086 8.930 -0.844 19311 3769 1 5 . 1 1 159 159 GLN N N 159 118.639 118.639 116.919 1.720 19311 3770 1 5 . 1 1 159 159 GLN C C 159 174.146 174.146 173.794 0.352 19311 3771 1 5 . 1 1 159 159 GLN CA C 159 54.960 54.960 54.340 0.620 19311 3772 1 5 . 1 1 159 159 GLN CB C 159 33.259 33.259 32.701 0.558 19311 3773 1 5 . 1 1 159 159 GLN H H 159 8.013 8.013 7.696 0.317 19311 3774 1 5 . 1 1 160 160 ALA N N 160 121.359 121.359 124.356 -2.997 19311 3775 1 5 . 1 1 160 160 ALA C C 160 176.623 176.623 175.581 1.042 19311 3776 1 5 . 1 1 160 160 ALA CA C 160 51.336 51.336 51.737 -0.401 19311 3777 1 5 . 1 1 160 160 ALA CB C 160 20.748 20.748 22.496 -1.748 19311 3778 1 5 . 1 1 160 160 ALA H H 160 8.277 8.277 8.449 -0.172 19311 3779 1 5 . 1 1 161 161 THR N N 161 115.028 115.028 111.581 3.447 19311 3780 1 5 . 1 1 161 161 THR CA C 161 59.988 59.988 60.026 -0.038 19311 3781 1 5 . 1 1 161 161 THR CB C 161 69.766 69.766 72.234 -2.468 19311 3782 1 5 . 1 1 161 161 THR H H 161 9.101 9.101 8.855 0.246 19311 3783 1 5 . 1 1 162 162 ILE C C 162 175.079 175.079 174.618 0.461 19311 3784 1 5 . 1 1 162 162 ILE CA C 162 62.025 62.025 60.451 1.574 19311 3785 1 5 . 1 1 162 162 ILE CB C 162 39.360 39.360 41.518 -2.158 19311 3786 1 5 . 1 1 163 163 PHE N N 163 128.730 128.730 125.571 3.159 19311 3787 1 5 . 1 1 163 163 PHE CA C 163 59.063 59.063 56.748 2.315 19311 3788 1 5 . 1 1 163 163 PHE CB C 163 39.535 39.535 43.270 -3.735 19311 3789 1 5 . 1 1 163 163 PHE H H 163 9.310 9.310 9.252 0.058 19311 3790 1 5 . 1 1 165 165 ILE C C 165 175.305 175.305 175.643 -0.338 19311 3791 1 5 . 1 1 165 165 ILE CA C 165 60.713 60.713 61.540 -0.827 19311 3792 1 5 . 1 1 165 165 ILE CB C 165 38.555 38.555 39.370 -0.815 19311 3793 1 5 . 1 1 166 166 ASP N N 166 124.971 124.971 120.673 4.298 19311 3794 1 5 . 1 1 166 166 ASP C C 166 175.583 175.583 175.016 0.567 19311 3795 1 5 . 1 1 166 166 ASP CA C 166 53.988 53.988 53.119 0.869 19311 3796 1 5 . 1 1 166 166 ASP CB C 166 41.109 41.109 41.903 -0.794 19311 3797 1 5 . 1 1 166 166 ASP H H 166 8.400 8.400 8.239 0.161 19311 3798 1 5 . 1 1 167 167 GLN N N 167 122.323 122.323 122.027 0.296 19311 3799 1 5 . 1 1 167 167 GLN C C 167 175.699 175.699 174.975 0.724 19311 3800 1 5 . 1 1 167 167 GLN CA C 167 55.012 55.012 56.380 -1.368 19311 3801 1 5 . 1 1 167 167 GLN CB C 167 28.830 28.830 29.513 -0.683 19311 3802 1 5 . 1 1 167 167 GLN H H 167 8.379 8.379 8.462 -0.083 19311 3803 1 5 . 1 1 168 168 VAL N N 168 122.545 122.545 124.780 -2.235 19311 3804 1 5 . 1 1 168 168 VAL C C 168 176.586 176.586 176.439 0.147 19311 3805 1 5 . 1 1 168 168 VAL CA C 168 62.315 62.315 60.784 1.531 19311 3806 1 5 . 1 1 168 168 VAL CB C 168 31.976 31.976 34.392 -2.416 19311 3807 1 5 . 1 1 168 168 VAL H H 168 8.097 8.097 8.009 0.088 19311 3808 1 5 . 1 1 169 169 GLY N N 169 112.864 112.864 112.614 0.250 19311 3809 1 5 . 1 1 169 169 GLY CA C 169 44.508 44.508 44.133 0.374 19311 3810 1 5 . 1 1 169 169 GLY H H 169 8.349 8.349 8.487 -0.138 19311 3811 1 5 . 1 1 171 171 LEU C C 171 177.338 177.338 175.437 1.901 19311 3812 1 5 . 1 1 171 171 LEU CA C 171 54.598 54.598 55.335 -0.737 19311 3813 1 5 . 1 1 171 171 LEU CB C 171 40.893 40.893 42.536 -1.643 19311 3814 1 5 . 1 1 172 172 SER N N 172 117.418 117.418 118.070 -0.652 19311 3815 1 5 . 1 1 172 172 SER C C 172 172.759 172.759 173.819 -1.060 19311 3816 1 5 . 1 1 172 172 SER CA C 172 57.862 57.862 56.603 1.259 19311 3817 1 5 . 1 1 172 172 SER CB C 172 63.116 63.116 64.406 -1.290 19311 3818 1 5 . 1 1 172 172 SER H H 172 7.985 7.985 6.835 1.150 19311 3819 1 5 . 1 1 173 173 THR N N 173 116.665 116.665 115.061 1.604 19311 3820 1 5 . 1 1 173 173 THR C C 173 173.571 173.571 173.770 -0.199 19311 3821 1 5 . 1 1 173 173 THR CA C 173 61.126 61.126 62.054 -0.928 19311 3822 1 5 . 1 1 173 173 THR CB C 173 69.260 69.260 67.908 1.352 19311 3823 1 5 . 1 1 173 173 THR H H 173 7.922 7.922 7.950 -0.028 19311 3824 1 5 . 1 1 174 174 PHE N N 174 125.740 125.740 123.273 2.467 19311 3825 1 5 . 1 1 174 174 PHE CA C 174 54.742 54.742 53.960 0.782 19311 3826 1 5 . 1 1 174 174 PHE CB C 174 38.364 38.364 38.195 0.169 19311 3827 1 5 . 1 1 174 174 PHE H H 174 8.618 8.618 7.601 1.017 19311 3828 1 5 . 1 1 175 175 PRO C C 175 178.235 178.235 175.467 2.768 19311 3829 1 5 . 1 1 175 175 PRO CA C 175 61.555 61.555 62.872 -1.317 19311 3830 1 5 . 1 1 175 175 PRO CB C 175 31.606 31.606 31.812 -0.206 19311 3831 1 5 . 1 1 176 176 PHE N N 176 119.598 119.598 121.279 -1.681 19311 3832 1 5 . 1 1 176 176 PHE C C 176 178.361 178.361 177.809 0.552 19311 3833 1 5 . 1 1 176 176 PHE CA C 176 59.631 59.631 57.992 1.639 19311 3834 1 5 . 1 1 176 176 PHE CB C 176 39.493 39.493 40.603 -1.110 19311 3835 1 5 . 1 1 176 176 PHE H H 176 9.179 9.179 8.752 0.427 19311 3836 1 5 . 1 1 177 177 VAL N N 177 121.283 121.283 124.863 -3.580 19311 3837 1 5 . 1 1 177 177 VAL C C 177 174.922 174.922 176.745 -1.823 19311 3838 1 5 . 1 1 177 177 VAL CA C 177 62.670 62.670 66.989 -4.319 19311 3839 1 5 . 1 1 177 177 VAL CB C 177 31.437 31.437 32.186 -0.749 19311 3840 1 5 . 1 1 177 177 VAL H H 177 9.408 9.408 8.857 0.551 19311 3841 1 5 . 1 1 178 178 TYR N N 178 116.602 116.602 118.141 -1.539 19311 3842 1 5 . 1 1 178 178 TYR C C 178 176.839 176.839 178.216 -1.377 19311 3843 1 5 . 1 1 178 178 TYR CA C 178 56.575 56.575 61.220 -4.645 19311 3844 1 5 . 1 1 178 178 TYR CB C 178 35.764 35.764 38.270 -2.506 19311 3845 1 5 . 1 1 178 178 TYR H H 178 6.166 6.166 8.259 -2.093 19311 3846 1 5 . 1 1 179 179 LYS N N 179 118.114 118.114 119.204 -1.090 19311 3847 1 5 . 1 1 179 179 LYS C C 179 176.384 176.384 176.772 -0.388 19311 3848 1 5 . 1 1 179 179 LYS CA C 179 57.540 57.540 58.563 -1.023 19311 3849 1 5 . 1 1 179 179 LYS CB C 179 31.024 31.024 32.055 -1.031 19311 3850 1 5 . 1 1 179 179 LYS H H 179 7.554 7.554 8.482 -0.928 19311 3851 1 5 . 1 1 180 180 TYR N N 180 117.346 117.346 114.588 2.758 19311 3852 1 5 . 1 1 180 180 TYR C C 180 174.479 174.479 175.153 -0.674 19311 3853 1 5 . 1 1 180 180 TYR CA C 180 57.407 57.407 56.940 0.467 19311 3854 1 5 . 1 1 180 180 TYR CB C 180 38.020 38.020 38.642 -0.622 19311 3855 1 5 . 1 1 180 180 TYR H H 180 7.788 7.788 7.761 0.027 19311 3856 1 6 . 1 1 13 13 THR C C 13 174.300 174.300 174.309 -0.009 19311 3857 1 6 . 1 1 13 13 THR CA C 13 61.472 61.472 61.284 0.188 19311 3858 1 6 . 1 1 13 13 THR CB C 13 69.201 69.201 69.559 -0.358 19311 3859 1 6 . 1 1 14 14 ASP N N 14 123.228 123.228 123.867 -0.639 19311 3860 1 6 . 1 1 14 14 ASP C C 14 176.245 176.245 176.868 -0.623 19311 3861 1 6 . 1 1 14 14 ASP CA C 14 53.996 53.996 54.770 -0.774 19311 3862 1 6 . 1 1 14 14 ASP CB C 14 41.601 41.601 41.583 0.018 19311 3863 1 6 . 1 1 14 14 ASP H H 14 8.321 8.321 7.717 0.604 19311 3864 1 6 . 1 1 15 15 SER N N 15 115.463 115.463 117.247 -1.784 19311 3865 1 6 . 1 1 15 15 SER C C 15 175.991 175.991 176.250 -0.259 19311 3866 1 6 . 1 1 15 15 SER CA C 15 58.020 58.020 59.819 -1.800 19311 3867 1 6 . 1 1 15 15 SER CB C 15 63.080 63.080 63.415 -0.335 19311 3868 1 6 . 1 1 15 15 SER H H 15 8.403 8.403 8.356 0.047 19311 3869 1 6 . 1 1 16 16 VAL N N 16 124.538 124.538 123.228 1.310 19311 3870 1 6 . 1 1 16 16 VAL C C 16 176.097 176.097 176.805 -0.708 19311 3871 1 6 . 1 1 16 16 VAL CA C 16 62.750 62.750 65.074 -2.324 19311 3872 1 6 . 1 1 16 16 VAL CB C 16 30.859 30.859 31.737 -0.878 19311 3873 1 6 . 1 1 16 16 VAL H H 16 8.139 8.139 7.608 0.531 19311 3874 1 6 . 1 1 17 17 PHE N N 17 119.242 119.242 112.197 7.045 19311 3875 1 6 . 1 1 17 17 PHE C C 17 176.086 176.086 174.896 1.190 19311 3876 1 6 . 1 1 17 17 PHE CA C 17 58.934 58.934 55.739 3.195 19311 3877 1 6 . 1 1 17 17 PHE CB C 17 38.133 38.133 37.508 0.625 19311 3878 1 6 . 1 1 17 17 PHE H H 17 7.575 7.575 6.510 1.065 19311 3879 1 6 . 1 1 18 18 LEU N N 18 121.292 121.292 120.296 0.996 19311 3880 1 6 . 1 1 18 18 LEU C C 18 173.871 173.871 175.731 -1.860 19311 3881 1 6 . 1 1 18 18 LEU CA C 18 54.048 54.048 53.190 0.858 19311 3882 1 6 . 1 1 18 18 LEU CB C 18 41.529 41.529 41.471 0.058 19311 3883 1 6 . 1 1 18 18 LEU H H 18 7.586 7.586 7.300 0.286 19311 3884 1 6 . 1 1 19 19 GLN N N 19 128.124 128.124 119.887 8.237 19311 3885 1 6 . 1 1 19 19 GLN CA C 19 53.131 53.131 54.363 -1.232 19311 3886 1 6 . 1 1 19 19 GLN CB C 19 30.299 30.299 28.119 2.180 19311 3887 1 6 . 1 1 19 19 GLN H H 19 8.893 8.893 7.503 1.390 19311 3888 1 6 . 1 1 20 20 PRO C C 20 176.974 176.974 176.217 0.757 19311 3889 1 6 . 1 1 20 20 PRO CA C 20 62.459 62.459 63.510 -1.051 19311 3890 1 6 . 1 1 20 20 PRO CB C 20 29.693 29.693 31.914 -2.221 19311 3891 1 6 . 1 1 21 21 TRP N N 21 126.042 126.042 121.680 4.362 19311 3892 1 6 . 1 1 21 21 TRP C C 21 176.624 176.624 176.162 0.462 19311 3893 1 6 . 1 1 21 21 TRP CA C 21 58.241 58.241 57.202 1.039 19311 3894 1 6 . 1 1 21 21 TRP CB C 21 31.457 31.457 30.335 1.122 19311 3895 1 6 . 1 1 21 21 TRP H H 21 9.813 9.813 9.277 0.536 19311 3896 1 6 . 1 1 22 22 ILE N N 22 128.281 128.281 123.227 5.054 19311 3897 1 6 . 1 1 22 22 ILE C C 22 176.776 176.776 177.225 -0.449 19311 3898 1 6 . 1 1 22 22 ILE CA C 22 66.628 66.628 65.261 1.367 19311 3899 1 6 . 1 1 22 22 ILE CB C 22 37.455 37.455 37.367 0.088 19311 3900 1 6 . 1 1 22 22 ILE H H 22 8.438 8.438 8.204 0.234 19311 3901 1 6 . 1 1 23 23 LYS N N 23 121.661 121.661 121.322 0.339 19311 3902 1 6 . 1 1 23 23 LYS C C 23 177.812 177.812 178.301 -0.489 19311 3903 1 6 . 1 1 23 23 LYS CA C 23 60.467 60.467 59.877 0.590 19311 3904 1 6 . 1 1 23 23 LYS CB C 23 31.055 31.055 31.840 -0.785 19311 3905 1 6 . 1 1 23 23 LYS H H 23 9.062 9.062 7.805 1.257 19311 3906 1 6 . 1 1 24 24 ALA N N 24 120.454 120.454 121.102 -0.648 19311 3907 1 6 . 1 1 24 24 ALA C C 24 179.285 179.285 179.770 -0.485 19311 3908 1 6 . 1 1 24 24 ALA CA C 24 54.076 54.076 54.731 -0.655 19311 3909 1 6 . 1 1 24 24 ALA CB C 24 17.220 17.220 18.115 -0.895 19311 3910 1 6 . 1 1 24 24 ALA H H 24 8.447 8.447 8.172 0.275 19311 3911 1 6 . 1 1 25 25 LEU N N 25 120.482 120.482 120.546 -0.064 19311 3912 1 6 . 1 1 25 25 LEU C C 25 180.269 180.269 178.542 1.727 19311 3913 1 6 . 1 1 25 25 LEU CA C 25 58.102 58.102 58.177 -0.075 19311 3914 1 6 . 1 1 25 25 LEU CB C 25 41.636 41.636 42.143 -0.507 19311 3915 1 6 . 1 1 25 25 LEU H H 25 8.071 8.071 7.758 0.313 19311 3916 1 6 . 1 1 26 26 ILE N N 26 119.868 119.868 113.787 6.081 19311 3917 1 6 . 1 1 26 26 ILE C C 26 179.617 179.617 177.762 1.855 19311 3918 1 6 . 1 1 26 26 ILE CA C 26 63.547 63.547 63.839 -0.292 19311 3919 1 6 . 1 1 26 26 ILE CB C 26 35.786 35.786 37.657 -1.871 19311 3920 1 6 . 1 1 26 26 ILE H H 26 8.158 8.158 7.806 0.352 19311 3921 1 6 . 1 1 27 27 GLU N N 27 122.067 122.067 121.192 0.875 19311 3922 1 6 . 1 1 27 27 GLU C C 27 179.103 179.103 179.128 -0.025 19311 3923 1 6 . 1 1 27 27 GLU CA C 27 59.138 59.138 59.362 -0.224 19311 3924 1 6 . 1 1 27 27 GLU CB C 27 28.461 28.461 29.644 -1.183 19311 3925 1 6 . 1 1 27 27 GLU H H 27 8.543 8.543 8.022 0.521 19311 3926 1 6 . 1 1 28 28 ASP N N 28 119.228 119.228 118.046 1.182 19311 3927 1 6 . 1 1 28 28 ASP C C 28 176.992 176.992 177.119 -0.127 19311 3928 1 6 . 1 1 28 28 ASP CA C 28 55.657 55.657 55.942 -0.285 19311 3929 1 6 . 1 1 28 28 ASP CB C 28 40.403 40.403 41.309 -0.905 19311 3930 1 6 . 1 1 28 28 ASP H H 28 8.396 8.396 8.285 0.111 19311 3931 1 6 . 1 1 29 29 ASN N N 29 117.545 117.545 117.526 0.019 19311 3932 1 6 . 1 1 29 29 ASN C C 29 174.277 174.277 175.556 -1.279 19311 3933 1 6 . 1 1 29 29 ASN CA C 29 53.694 53.694 52.634 1.060 19311 3934 1 6 . 1 1 29 29 ASN CB C 29 40.069 40.069 39.595 0.474 19311 3935 1 6 . 1 1 29 29 ASN H H 29 7.536 7.536 8.095 -0.559 19311 3936 1 6 . 1 1 30 30 SER N N 30 115.444 115.444 116.203 -0.759 19311 3937 1 6 . 1 1 30 30 SER C C 30 173.942 173.942 174.989 -1.047 19311 3938 1 6 . 1 1 30 30 SER CA C 30 58.804 58.804 60.438 -1.634 19311 3939 1 6 . 1 1 30 30 SER CB C 30 63.838 63.838 63.785 0.053 19311 3940 1 6 . 1 1 30 30 SER H H 30 7.704 7.704 8.392 -0.688 19311 3941 1 6 . 1 1 31 31 GLU N N 31 122.456 122.456 123.339 -0.883 19311 3942 1 6 . 1 1 31 31 GLU C C 31 176.234 176.234 176.900 -0.666 19311 3943 1 6 . 1 1 31 31 GLU CA C 31 55.633 55.633 55.517 0.116 19311 3944 1 6 . 1 1 31 31 GLU CB C 31 29.619 29.619 28.301 1.318 19311 3945 1 6 . 1 1 31 31 GLU H H 31 8.287 8.287 8.376 -0.089 19311 3946 1 6 . 1 1 32 32 HIS N N 32 120.953 120.953 120.811 0.142 19311 3947 1 6 . 1 1 32 32 HIS C C 32 174.779 174.779 174.850 -0.071 19311 3948 1 6 . 1 1 32 32 HIS CA C 32 56.355 56.355 58.802 -2.447 19311 3949 1 6 . 1 1 32 32 HIS CB C 32 29.467 29.467 30.115 -0.648 19311 3950 1 6 . 1 1 32 32 HIS H H 32 8.207 8.207 8.091 0.116 19311 3951 1 6 . 1 1 33 33 ASP N N 33 120.471 120.471 115.251 5.220 19311 3952 1 6 . 1 1 33 33 ASP C C 33 175.225 175.225 176.443 -1.218 19311 3953 1 6 . 1 1 33 33 ASP CA C 33 54.277 54.277 54.028 0.249 19311 3954 1 6 . 1 1 33 33 ASP CB C 33 40.007 40.007 39.277 0.730 19311 3955 1 6 . 1 1 33 33 ASP H H 33 8.256 8.256 7.978 0.278 19311 3956 1 6 . 1 1 34 34 GLN N N 34 118.522 118.522 116.979 1.543 19311 3957 1 6 . 1 1 34 34 GLN C C 34 175.275 175.275 175.225 0.050 19311 3958 1 6 . 1 1 34 34 GLN CA C 34 55.388 55.388 54.810 0.578 19311 3959 1 6 . 1 1 34 34 GLN CB C 34 28.586 28.586 29.360 -0.774 19311 3960 1 6 . 1 1 34 34 GLN H H 34 7.854 7.854 7.459 0.395 19311 3961 1 6 . 1 1 35 35 TYR N N 35 120.831 120.831 122.104 -1.273 19311 3962 1 6 . 1 1 35 35 TYR C C 35 174.882 174.882 175.327 -0.445 19311 3963 1 6 . 1 1 35 35 TYR CA C 35 56.752 56.752 59.038 -2.286 19311 3964 1 6 . 1 1 35 35 TYR CB C 35 36.712 36.712 39.022 -2.310 19311 3965 1 6 . 1 1 35 35 TYR H H 35 8.072 8.072 7.423 0.649 19311 3966 1 6 . 1 1 36 36 HIS N N 36 121.429 121.429 127.233 -5.804 19311 3967 1 6 . 1 1 36 36 HIS CA C 36 53.280 53.280 56.929 -3.649 19311 3968 1 6 . 1 1 36 36 HIS CB C 36 29.223 29.223 29.911 -0.688 19311 3969 1 6 . 1 1 36 36 HIS H H 36 7.788 7.788 8.093 -0.305 19311 3970 1 6 . 1 1 37 37 PRO C C 37 177.021 177.021 176.780 0.241 19311 3971 1 6 . 1 1 37 37 PRO CA C 37 62.947 62.947 65.018 -2.071 19311 3972 1 6 . 1 1 37 37 PRO CB C 37 31.735 31.735 32.006 -0.271 19311 3973 1 6 . 1 1 38 38 SER N N 38 117.550 117.550 111.622 5.928 19311 3974 1 6 . 1 1 38 38 SER C C 38 174.281 174.281 174.310 -0.029 19311 3975 1 6 . 1 1 38 38 SER CA C 38 57.494 57.494 57.733 -0.239 19311 3976 1 6 . 1 1 38 38 SER CB C 38 63.795 63.795 64.302 -0.507 19311 3977 1 6 . 1 1 38 38 SER H H 38 8.808 8.808 8.540 0.268 19311 3978 1 6 . 1 1 39 39 GLY N N 39 113.547 113.547 109.062 4.485 19311 3979 1 6 . 1 1 39 39 GLY C C 39 173.690 173.690 172.941 0.749 19311 3980 1 6 . 1 1 39 39 GLY CA C 39 44.463 44.463 44.644 -0.181 19311 3981 1 6 . 1 1 39 39 GLY H H 39 8.564 8.564 7.529 1.035 19311 3982 1 6 . 1 1 40 40 HIS N N 40 121.529 121.529 119.617 1.912 19311 3983 1 6 . 1 1 40 40 HIS C C 40 175.794 175.794 174.962 0.832 19311 3984 1 6 . 1 1 40 40 HIS CA C 40 55.796 55.796 55.806 -0.010 19311 3985 1 6 . 1 1 40 40 HIS CB C 40 26.887 26.887 33.902 -7.015 19311 3986 1 6 . 1 1 40 40 HIS H H 40 9.071 9.071 8.290 0.781 19311 3987 1 6 . 1 1 41 41 VAL N N 41 115.423 115.423 121.161 -5.738 19311 3988 1 6 . 1 1 41 41 VAL C C 41 176.247 176.247 175.113 1.134 19311 3989 1 6 . 1 1 41 41 VAL CA C 41 62.424 62.424 63.862 -1.438 19311 3990 1 6 . 1 1 41 41 VAL CB C 41 31.201 31.201 33.700 -2.499 19311 3991 1 6 . 1 1 41 41 VAL H H 41 8.201 8.201 8.909 -0.708 19311 3992 1 6 . 1 1 42 42 ILE N N 42 120.213 120.213 119.041 1.172 19311 3993 1 6 . 1 1 42 42 ILE CA C 42 58.655 58.655 57.949 0.706 19311 3994 1 6 . 1 1 42 42 ILE CB C 42 39.579 39.579 39.657 -0.079 19311 3995 1 6 . 1 1 42 42 ILE H H 42 7.305 7.305 7.925 -0.620 19311 3996 1 6 . 1 1 43 43 PRO C C 43 177.076 177.076 176.848 0.228 19311 3997 1 6 . 1 1 43 43 PRO CA C 43 62.446 62.446 63.136 -0.690 19311 3998 1 6 . 1 1 43 43 PRO CB C 43 32.486 32.486 32.430 0.056 19311 3999 1 6 . 1 1 44 44 SER N N 44 116.530 116.530 116.036 0.494 19311 4000 1 6 . 1 1 44 44 SER C C 44 173.398 173.398 173.953 -0.555 19311 4001 1 6 . 1 1 44 44 SER CA C 44 57.636 57.636 58.194 -0.558 19311 4002 1 6 . 1 1 44 44 SER CB C 44 63.032 63.032 63.633 -0.601 19311 4003 1 6 . 1 1 44 44 SER H H 44 8.436 8.436 8.324 0.112 19311 4004 1 6 . 1 1 45 45 LEU N N 45 127.441 127.441 126.928 0.513 19311 4005 1 6 . 1 1 45 45 LEU C C 45 178.103 178.103 177.320 0.783 19311 4006 1 6 . 1 1 45 45 LEU CA C 45 52.534 52.534 54.044 -1.510 19311 4007 1 6 . 1 1 45 45 LEU CB C 45 42.737 42.737 43.628 -0.891 19311 4008 1 6 . 1 1 45 45 LEU H H 45 9.947 9.947 8.332 1.615 19311 4009 1 6 . 1 1 46 46 THR N N 46 114.571 114.571 114.211 0.360 19311 4010 1 6 . 1 1 46 46 THR C C 46 175.217 175.217 175.461 -0.244 19311 4011 1 6 . 1 1 46 46 THR CA C 46 60.441 60.441 60.497 -0.056 19311 4012 1 6 . 1 1 46 46 THR CB C 46 71.156 71.156 70.670 0.486 19311 4013 1 6 . 1 1 46 46 THR H H 46 9.328 9.328 8.642 0.686 19311 4014 1 6 . 1 1 47 47 LYS N N 47 120.404 120.404 121.542 -1.138 19311 4015 1 6 . 1 1 47 47 LYS C C 47 179.434 179.434 178.678 0.756 19311 4016 1 6 . 1 1 47 47 LYS CA C 47 59.340 59.340 60.256 -0.916 19311 4017 1 6 . 1 1 47 47 LYS CB C 47 30.960 30.960 32.072 -1.112 19311 4018 1 6 . 1 1 47 47 LYS H H 47 8.690 8.690 8.682 0.008 19311 4019 1 6 . 1 1 48 48 GLN N N 48 119.487 119.487 117.393 2.094 19311 4020 1 6 . 1 1 48 48 GLN C C 48 178.691 178.691 178.382 0.309 19311 4021 1 6 . 1 1 48 48 GLN CA C 48 58.356 58.356 59.058 -0.702 19311 4022 1 6 . 1 1 48 48 GLN CB C 48 27.365 27.365 28.421 -1.056 19311 4023 1 6 . 1 1 48 48 GLN H H 48 8.082 8.082 8.443 -0.361 19311 4024 1 6 . 1 1 49 49 ASP N N 49 122.541 122.541 121.069 1.472 19311 4025 1 6 . 1 1 49 49 ASP C C 49 175.759 175.759 178.423 -2.664 19311 4026 1 6 . 1 1 49 49 ASP CA C 49 57.516 57.516 56.922 0.594 19311 4027 1 6 . 1 1 49 49 ASP CB C 49 41.147 41.147 40.589 0.558 19311 4028 1 6 . 1 1 49 49 ASP H H 49 7.743 7.743 7.868 -0.125 19311 4029 1 6 . 1 1 50 50 LEU N N 50 113.803 113.803 119.048 -5.245 19311 4030 1 6 . 1 1 50 50 LEU C C 50 178.243 178.243 178.970 -0.727 19311 4031 1 6 . 1 1 50 50 LEU CA C 50 56.063 56.063 57.445 -1.382 19311 4032 1 6 . 1 1 50 50 LEU CB C 50 41.162 41.162 41.673 -0.511 19311 4033 1 6 . 1 1 50 50 LEU H H 50 7.307 7.307 8.170 -0.863 19311 4034 1 6 . 1 1 51 51 ALA N N 51 120.417 120.417 121.812 -1.395 19311 4035 1 6 . 1 1 51 51 ALA C C 51 178.660 178.660 177.891 0.769 19311 4036 1 6 . 1 1 51 51 ALA CA C 51 53.718 53.718 54.212 -0.494 19311 4037 1 6 . 1 1 51 51 ALA CB C 51 18.193 18.193 19.504 -1.311 19311 4038 1 6 . 1 1 51 51 ALA H H 51 7.677 7.677 7.865 -0.188 19311 4039 1 6 . 1 1 52 52 LEU N N 52 116.642 116.642 117.640 -0.998 19311 4040 1 6 . 1 1 52 52 LEU CA C 52 51.307 51.307 52.018 -0.711 19311 4041 1 6 . 1 1 52 52 LEU CB C 52 42.099 42.099 42.389 -0.290 19311 4042 1 6 . 1 1 52 52 LEU H H 52 6.992 6.992 7.752 -0.760 19311 4043 1 6 . 1 1 53 53 PRO C C 53 177.594 177.594 178.080 -0.486 19311 4044 1 6 . 1 1 53 53 PRO CA C 53 65.466 65.466 64.924 0.543 19311 4045 1 6 . 1 1 53 53 PRO CB C 53 31.761 31.761 32.047 -0.286 19311 4046 1 6 . 1 1 54 54 HIS N N 54 112.752 112.752 111.934 0.818 19311 4047 1 6 . 1 1 54 54 HIS C C 54 175.187 175.187 175.089 0.098 19311 4048 1 6 . 1 1 54 54 HIS CA C 54 57.695 57.695 57.398 0.297 19311 4049 1 6 . 1 1 54 54 HIS CB C 54 28.716 28.716 28.670 0.046 19311 4050 1 6 . 1 1 54 54 HIS H H 54 8.274 8.274 8.222 0.052 19311 4051 1 6 . 1 1 55 55 MET N N 55 116.326 116.326 118.115 -1.789 19311 4052 1 6 . 1 1 55 55 MET C C 55 175.522 175.522 175.798 -0.276 19311 4053 1 6 . 1 1 55 55 MET CA C 55 53.185 53.185 54.189 -1.004 19311 4054 1 6 . 1 1 55 55 MET CB C 55 32.240 32.240 32.837 -0.597 19311 4055 1 6 . 1 1 55 55 MET H H 55 7.254 7.254 7.210 0.044 19311 4056 1 6 . 1 1 56 56 SER N N 56 116.685 116.685 117.491 -0.806 19311 4057 1 6 . 1 1 56 56 SER CA C 56 54.269 54.269 56.255 -1.986 19311 4058 1 6 . 1 1 56 56 SER CB C 56 63.227 63.227 64.158 -0.931 19311 4059 1 6 . 1 1 56 56 SER H H 56 7.038 7.038 7.386 -0.348 19311 4060 1 6 . 1 1 57 57 PRO C C 57 178.714 178.714 178.264 0.450 19311 4061 1 6 . 1 1 57 57 PRO CA C 57 64.333 64.333 65.531 -1.198 19311 4062 1 6 . 1 1 57 57 PRO CB C 57 31.044 31.044 31.853 -0.809 19311 4063 1 6 . 1 1 58 58 THR N N 58 115.440 115.440 109.986 5.454 19311 4064 1 6 . 1 1 58 58 THR C C 58 175.811 175.811 175.849 -0.038 19311 4065 1 6 . 1 1 58 58 THR CA C 58 65.411 65.411 66.240 -0.829 19311 4066 1 6 . 1 1 58 58 THR CB C 58 68.208 68.208 68.589 -0.381 19311 4067 1 6 . 1 1 58 58 THR H H 58 7.560 7.560 8.356 -0.796 19311 4068 1 6 . 1 1 59 59 ILE N N 59 122.823 122.823 114.574 8.249 19311 4069 1 6 . 1 1 59 59 ILE C C 59 176.672 176.672 177.592 -0.920 19311 4070 1 6 . 1 1 59 59 ILE CA C 59 64.230 64.230 62.179 2.051 19311 4071 1 6 . 1 1 59 59 ILE CB C 59 37.283 37.283 38.385 -1.102 19311 4072 1 6 . 1 1 59 59 ILE H H 59 7.182 7.182 7.535 -0.353 19311 4073 1 6 . 1 1 60 60 LEU N N 60 113.853 113.853 122.204 -8.351 19311 4074 1 6 . 1 1 60 60 LEU C C 60 179.288 179.288 178.273 1.015 19311 4075 1 6 . 1 1 60 60 LEU CA C 60 56.589 56.589 57.182 -0.593 19311 4076 1 6 . 1 1 60 60 LEU CB C 60 40.734 40.734 42.096 -1.362 19311 4077 1 6 . 1 1 60 60 LEU H H 60 7.894 7.894 8.070 -0.176 19311 4078 1 6 . 1 1 61 61 THR N N 61 107.267 107.267 107.625 -0.358 19311 4079 1 6 . 1 1 61 61 THR C C 61 173.987 173.987 174.169 -0.182 19311 4080 1 6 . 1 1 61 61 THR CA C 61 61.516 61.516 61.268 0.248 19311 4081 1 6 . 1 1 61 61 THR CB C 61 69.919 69.919 68.987 0.932 19311 4082 1 6 . 1 1 61 61 THR H H 61 7.427 7.427 7.801 -0.374 19311 4083 1 6 . 1 1 62 62 ASN N N 62 121.377 121.377 119.431 1.946 19311 4084 1 6 . 1 1 62 62 ASN CA C 62 49.977 49.977 50.683 -0.706 19311 4085 1 6 . 1 1 62 62 ASN CB C 62 39.885 39.885 40.333 -0.448 19311 4086 1 6 . 1 1 62 62 ASN H H 62 7.368 7.368 7.802 -0.434 19311 4087 1 6 . 1 1 63 63 PRO C C 63 176.868 176.868 178.324 -1.456 19311 4088 1 6 . 1 1 63 63 PRO CA C 63 64.130 64.130 64.617 -0.487 19311 4089 1 6 . 1 1 63 63 PRO CB C 63 32.275 32.275 32.209 0.066 19311 4090 1 6 . 1 1 64 64 CYS N N 64 113.208 113.208 115.772 -2.564 19311 4091 1 6 . 1 1 64 64 CYS C C 64 170.205 170.205 175.353 -5.148 19311 4092 1 6 . 1 1 64 64 CYS CA C 64 56.943 56.943 61.143 -4.200 19311 4093 1 6 . 1 1 64 64 CYS CB C 64 26.242 26.242 26.957 -0.715 19311 4094 1 6 . 1 1 64 64 CYS H H 64 7.072 7.072 8.299 -1.227 19311 4095 1 6 . 1 1 65 65 HIS N N 65 108.987 108.987 115.058 -6.071 19311 4096 1 6 . 1 1 65 65 HIS C C 65 174.303 174.303 174.083 0.220 19311 4097 1 6 . 1 1 65 65 HIS CA C 65 56.141 56.141 57.672 -1.530 19311 4098 1 6 . 1 1 65 65 HIS CB C 65 28.565 28.565 30.165 -1.600 19311 4099 1 6 . 1 1 65 65 HIS H H 65 6.651 6.651 7.537 -0.886 19311 4100 1 6 . 1 1 66 66 PHE N N 66 116.823 116.823 120.242 -3.419 19311 4101 1 6 . 1 1 66 66 PHE C C 66 174.308 174.308 173.764 0.544 19311 4102 1 6 . 1 1 66 66 PHE CA C 66 56.990 56.990 56.734 0.256 19311 4103 1 6 . 1 1 66 66 PHE CB C 66 41.535 41.535 42.327 -0.792 19311 4104 1 6 . 1 1 66 66 PHE H H 66 7.548 7.548 7.985 -0.437 19311 4105 1 6 . 1 1 67 67 ALA N N 67 119.242 119.242 123.398 -4.156 19311 4106 1 6 . 1 1 67 67 ALA C C 67 175.495 175.495 175.290 0.205 19311 4107 1 6 . 1 1 67 67 ALA CA C 67 50.842 50.842 51.300 -0.458 19311 4108 1 6 . 1 1 67 67 ALA CB C 67 24.144 24.144 23.287 0.857 19311 4109 1 6 . 1 1 67 67 ALA H H 67 8.646 8.646 9.376 -0.730 19311 4110 1 6 . 1 1 68 68 LYS N N 68 118.338 118.338 121.739 -3.401 19311 4111 1 6 . 1 1 68 68 LYS C C 68 176.011 176.011 175.819 0.192 19311 4112 1 6 . 1 1 68 68 LYS CA C 68 54.557 54.557 54.510 0.047 19311 4113 1 6 . 1 1 68 68 LYS CB C 68 34.575 34.575 33.628 0.947 19311 4114 1 6 . 1 1 68 68 LYS H H 68 8.373 8.373 8.601 -0.228 19311 4115 1 6 . 1 1 69 69 ILE N N 69 126.321 126.321 126.554 -0.233 19311 4116 1 6 . 1 1 69 69 ILE C C 69 176.711 176.711 177.314 -0.603 19311 4117 1 6 . 1 1 69 69 ILE CA C 69 61.581 61.581 62.567 -0.986 19311 4118 1 6 . 1 1 69 69 ILE CB C 69 37.161 37.161 37.772 -0.611 19311 4119 1 6 . 1 1 69 69 ILE H H 69 9.660 9.660 8.856 0.804 19311 4120 1 6 . 1 1 70 70 THR N N 70 118.154 118.154 119.822 -1.668 19311 4121 1 6 . 1 1 70 70 THR C C 70 175.076 175.076 174.375 0.701 19311 4122 1 6 . 1 1 70 70 THR CA C 70 60.883 60.883 61.867 -0.984 19311 4123 1 6 . 1 1 70 70 THR CB C 70 68.643 68.643 70.943 -2.300 19311 4124 1 6 . 1 1 70 70 THR H H 70 8.785 8.785 8.852 -0.067 19311 4125 1 6 . 1 1 71 71 LYS N N 71 122.877 122.877 119.997 2.880 19311 4126 1 6 . 1 1 71 71 LYS C C 71 173.355 173.355 173.347 0.008 19311 4127 1 6 . 1 1 71 71 LYS CA C 71 56.459 56.459 56.423 0.036 19311 4128 1 6 . 1 1 71 71 LYS CB C 71 34.142 34.142 33.910 0.232 19311 4129 1 6 . 1 1 71 71 LYS H H 71 7.088 7.088 7.252 -0.164 19311 4130 1 6 . 1 1 72 72 PHE N N 72 122.143 122.143 120.402 1.741 19311 4131 1 6 . 1 1 72 72 PHE C C 72 175.071 175.071 174.347 0.724 19311 4132 1 6 . 1 1 72 72 PHE CA C 72 57.980 57.980 55.481 2.499 19311 4133 1 6 . 1 1 72 72 PHE CB C 72 39.359 39.359 40.654 -1.295 19311 4134 1 6 . 1 1 72 72 PHE H H 72 8.530 8.530 7.884 0.646 19311 4135 1 6 . 1 1 73 73 TYR N N 73 123.208 123.208 119.931 3.277 19311 4136 1 6 . 1 1 73 73 TYR C C 73 176.295 176.295 175.615 0.680 19311 4137 1 6 . 1 1 73 73 TYR CA C 73 60.464 60.464 59.034 1.430 19311 4138 1 6 . 1 1 73 73 TYR CB C 73 39.634 39.634 39.645 -0.011 19311 4139 1 6 . 1 1 73 73 TYR H H 73 9.437 9.437 8.886 0.551 19311 4140 1 6 . 1 1 74 74 ASN N N 74 113.786 113.786 114.020 -0.234 19311 4141 1 6 . 1 1 74 74 ASN C C 74 172.652 172.652 172.715 -0.063 19311 4142 1 6 . 1 1 74 74 ASN CA C 74 52.675 52.675 53.070 -0.395 19311 4143 1 6 . 1 1 74 74 ASN CB C 74 39.801 39.801 40.150 -0.349 19311 4144 1 6 . 1 1 74 74 ASN H H 74 7.993 7.993 7.995 -0.002 19311 4145 1 6 . 1 1 75 75 VAL N N 75 124.913 124.913 119.432 5.481 19311 4146 1 6 . 1 1 75 75 VAL C C 75 175.179 175.179 174.979 0.200 19311 4147 1 6 . 1 1 75 75 VAL CA C 75 61.422 61.422 61.333 0.089 19311 4148 1 6 . 1 1 75 75 VAL CB C 75 33.185 33.185 34.269 -1.084 19311 4149 1 6 . 1 1 75 75 VAL H H 75 7.721 7.721 8.384 -0.663 19311 4150 1 6 . 1 1 76 76 CYS N N 76 125.698 125.698 126.598 -0.900 19311 4151 1 6 . 1 1 76 76 CYS CA C 76 57.694 57.694 58.157 -0.463 19311 4152 1 6 . 1 1 76 76 CYS CB C 76 27.993 27.993 30.990 -2.997 19311 4153 1 6 . 1 1 76 76 CYS H H 76 8.677 8.677 9.190 -0.513 19311 4154 1 6 . 1 1 78 78 TYR N N 78 109.730 109.730 110.396 -0.666 19311 4155 1 6 . 1 1 78 78 TYR C C 78 173.592 173.592 174.194 -0.602 19311 4156 1 6 . 1 1 78 78 TYR CA C 78 60.078 60.078 58.930 1.148 19311 4157 1 6 . 1 1 78 78 TYR CB C 78 35.627 35.627 35.755 -0.128 19311 4158 1 6 . 1 1 78 78 TYR H H 78 8.215 8.215 8.104 0.111 19311 4159 1 6 . 1 1 79 79 LYS N N 79 119.181 119.181 118.390 0.791 19311 4160 1 6 . 1 1 79 79 LYS C C 79 175.198 175.198 175.414 -0.216 19311 4161 1 6 . 1 1 79 79 LYS CA C 79 55.243 55.243 54.809 0.434 19311 4162 1 6 . 1 1 79 79 LYS CB C 79 33.522 33.522 37.289 -3.767 19311 4163 1 6 . 1 1 79 79 LYS H H 79 7.695 7.695 7.739 -0.044 19311 4164 1 6 . 1 1 80 80 VAL N N 80 118.700 118.700 122.105 -3.405 19311 4165 1 6 . 1 1 80 80 VAL C C 80 172.953 172.953 174.659 -1.706 19311 4166 1 6 . 1 1 80 80 VAL CA C 80 61.093 61.093 61.687 -0.594 19311 4167 1 6 . 1 1 80 80 VAL CB C 80 34.048 34.048 33.527 0.521 19311 4168 1 6 . 1 1 80 80 VAL H H 80 7.478 7.478 8.781 -1.303 19311 4169 1 6 . 1 1 81 81 TYR N N 81 128.065 128.065 130.524 -2.459 19311 4170 1 6 . 1 1 81 81 TYR C C 81 175.948 175.948 173.257 2.691 19311 4171 1 6 . 1 1 81 81 TYR CA C 81 57.836 57.836 55.630 2.206 19311 4172 1 6 . 1 1 81 81 TYR CB C 81 37.594 37.594 40.143 -2.549 19311 4173 1 6 . 1 1 81 81 TYR H H 81 8.851 8.851 8.750 0.101 19311 4174 1 6 . 1 1 82 82 ALA N N 82 130.227 130.227 129.291 0.936 19311 4175 1 6 . 1 1 82 82 ALA C C 82 174.291 174.291 174.877 -0.586 19311 4176 1 6 . 1 1 82 82 ALA CA C 82 51.702 51.702 50.765 0.937 19311 4177 1 6 . 1 1 82 82 ALA CB C 82 24.004 24.004 22.694 1.310 19311 4178 1 6 . 1 1 82 82 ALA H H 82 9.673 9.673 8.803 0.870 19311 4179 1 6 . 1 1 83 83 SER N N 83 112.455 112.455 113.123 -0.668 19311 4180 1 6 . 1 1 83 83 SER C C 83 175.055 175.055 173.693 1.362 19311 4181 1 6 . 1 1 83 83 SER CA C 83 56.656 56.656 57.075 -0.420 19311 4182 1 6 . 1 1 83 83 SER CB C 83 65.405 65.405 65.661 -0.256 19311 4183 1 6 . 1 1 83 83 SER H H 83 8.975 8.975 8.488 0.487 19311 4184 1 6 . 1 1 84 84 ILE N N 84 115.288 115.288 118.011 -2.723 19311 4185 1 6 . 1 1 84 84 ILE C C 84 173.569 173.569 174.095 -0.526 19311 4186 1 6 . 1 1 84 84 ILE CA C 84 57.822 57.822 58.454 -0.632 19311 4187 1 6 . 1 1 84 84 ILE CB C 84 41.310 41.310 42.495 -1.185 19311 4188 1 6 . 1 1 84 84 ILE H H 84 8.657 8.657 9.121 -0.464 19311 4189 1 6 . 1 1 85 85 ARG N N 85 116.138 116.138 116.656 -0.518 19311 4190 1 6 . 1 1 85 85 ARG C C 85 174.594 174.594 174.510 0.084 19311 4191 1 6 . 1 1 85 85 ARG CA C 85 52.721 52.721 55.147 -2.425 19311 4192 1 6 . 1 1 85 85 ARG CB C 85 33.188 33.188 33.714 -0.526 19311 4193 1 6 . 1 1 85 85 ARG H H 85 9.306 9.306 8.035 1.271 19311 4194 1 6 . 1 1 86 86 ASP N N 86 121.622 121.622 119.915 1.707 19311 4195 1 6 . 1 1 86 86 ASP C C 86 175.804 175.804 176.232 -0.428 19311 4196 1 6 . 1 1 86 86 ASP CA C 86 51.666 51.666 52.534 -0.868 19311 4197 1 6 . 1 1 86 86 ASP CB C 86 38.969 38.969 41.668 -2.699 19311 4198 1 6 . 1 1 86 86 ASP H H 86 7.506 7.506 8.757 -1.251 19311 4199 1 6 . 1 1 87 87 SER N N 87 109.487 109.487 114.751 -5.264 19311 4200 1 6 . 1 1 87 87 SER C C 87 174.343 174.343 174.301 0.042 19311 4201 1 6 . 1 1 87 87 SER CA C 87 59.775 59.775 60.020 -0.245 19311 4202 1 6 . 1 1 87 87 SER CB C 87 62.824 62.824 63.498 -0.674 19311 4203 1 6 . 1 1 87 87 SER H H 87 6.452 6.452 8.524 -2.072 19311 4204 1 6 . 1 1 88 88 SER N N 88 117.714 117.714 116.128 1.586 19311 4205 1 6 . 1 1 88 88 SER C C 88 172.322 172.322 174.117 -1.795 19311 4206 1 6 . 1 1 88 88 SER CA C 88 60.625 60.625 58.995 1.630 19311 4207 1 6 . 1 1 88 88 SER CB C 88 66.392 66.392 64.746 1.646 19311 4208 1 6 . 1 1 88 88 SER H H 88 8.852 8.852 8.279 0.573 19311 4209 1 6 . 1 1 89 89 HIS N N 89 121.987 121.987 119.655 2.332 19311 4210 1 6 . 1 1 89 89 HIS C C 89 173.253 173.253 173.636 -0.383 19311 4211 1 6 . 1 1 89 89 HIS CA C 89 55.530 55.530 54.554 0.976 19311 4212 1 6 . 1 1 89 89 HIS CB C 89 36.622 36.622 33.467 3.155 19311 4213 1 6 . 1 1 89 89 HIS H H 89 9.568 9.568 8.805 0.763 19311 4214 1 6 . 1 1 90 90 GLN N N 90 112.816 112.816 119.069 -6.253 19311 4215 1 6 . 1 1 90 90 GLN C C 90 175.640 175.640 173.999 1.641 19311 4216 1 6 . 1 1 90 90 GLN CA C 90 53.060 53.060 54.864 -1.804 19311 4217 1 6 . 1 1 90 90 GLN CB C 90 32.977 32.977 31.376 1.601 19311 4218 1 6 . 1 1 90 90 GLN H H 90 7.942 7.942 8.736 -0.794 19311 4219 1 6 . 1 1 91 91 ILE N N 91 119.354 119.354 119.848 -0.494 19311 4220 1 6 . 1 1 91 91 ILE C C 91 172.309 172.309 173.093 -0.784 19311 4221 1 6 . 1 1 91 91 ILE CA C 91 61.019 61.019 60.133 0.886 19311 4222 1 6 . 1 1 91 91 ILE CB C 91 41.077 41.077 42.415 -1.338 19311 4223 1 6 . 1 1 91 91 ILE H H 91 8.937 8.937 8.820 0.117 19311 4224 1 6 . 1 1 92 92 LEU N N 92 125.414 125.414 127.248 -1.834 19311 4225 1 6 . 1 1 92 92 LEU C C 92 175.848 175.848 175.468 0.380 19311 4226 1 6 . 1 1 92 92 LEU CA C 92 55.084 55.084 55.279 -0.195 19311 4227 1 6 . 1 1 92 92 LEU CB C 92 40.637 40.637 42.339 -1.702 19311 4228 1 6 . 1 1 92 92 LEU H H 92 7.192 7.192 8.703 -1.511 19311 4229 1 6 . 1 1 93 93 VAL N N 93 116.666 116.666 120.265 -3.599 19311 4230 1 6 . 1 1 93 93 VAL C C 93 173.013 173.013 173.274 -0.261 19311 4231 1 6 . 1 1 93 93 VAL CA C 93 58.637 58.637 59.455 -0.818 19311 4232 1 6 . 1 1 93 93 VAL CB C 93 35.844 35.844 35.232 0.612 19311 4233 1 6 . 1 1 93 93 VAL H H 93 9.225 9.225 8.790 0.435 19311 4234 1 6 . 1 1 94 94 GLU N N 94 124.248 124.248 127.494 -3.246 19311 4235 1 6 . 1 1 94 94 GLU CA C 94 53.418 53.418 53.692 -0.274 19311 4236 1 6 . 1 1 94 94 GLU CB C 94 32.133 32.133 33.333 -1.200 19311 4237 1 6 . 1 1 94 94 GLU H H 94 8.549 8.549 8.873 -0.324 19311 4238 1 6 . 1 1 95 95 PHE C C 95 175.472 175.472 176.252 -0.780 19311 4239 1 6 . 1 1 95 95 PHE CA C 95 56.710 56.710 56.694 0.016 19311 4240 1 6 . 1 1 95 95 PHE CB C 95 38.774 38.774 39.741 -0.967 19311 4241 1 6 . 1 1 96 96 SER N N 96 119.651 119.651 120.535 -0.884 19311 4242 1 6 . 1 1 96 96 SER C C 96 173.024 173.024 175.560 -2.536 19311 4243 1 6 . 1 1 96 96 SER CA C 96 57.233 57.233 57.965 -0.732 19311 4244 1 6 . 1 1 96 96 SER CB C 96 65.249 65.249 65.413 -0.164 19311 4245 1 6 . 1 1 96 96 SER H H 96 8.203 8.203 8.902 -0.699 19311 4246 1 6 . 1 1 97 97 GLN N N 97 120.894 120.894 122.607 -1.713 19311 4247 1 6 . 1 1 97 97 GLN C C 97 179.424 179.424 178.214 1.210 19311 4248 1 6 . 1 1 97 97 GLN CA C 97 58.799 58.799 59.939 -1.140 19311 4249 1 6 . 1 1 97 97 GLN CB C 97 26.863 26.863 28.486 -1.623 19311 4250 1 6 . 1 1 97 97 GLN H H 97 8.949 8.949 9.064 -0.115 19311 4251 1 6 . 1 1 98 98 GLU N N 98 121.467 121.467 119.771 1.696 19311 4252 1 6 . 1 1 98 98 GLU C C 98 177.401 177.401 178.125 -0.724 19311 4253 1 6 . 1 1 98 98 GLU CA C 98 59.056 59.056 59.476 -0.420 19311 4254 1 6 . 1 1 98 98 GLU CB C 98 28.654 28.654 29.334 -0.680 19311 4255 1 6 . 1 1 98 98 GLU H H 98 8.759 8.759 8.542 0.217 19311 4256 1 6 . 1 1 99 99 CYS N N 99 122.363 122.363 119.255 3.108 19311 4257 1 6 . 1 1 99 99 CYS C C 99 178.667 178.667 176.917 1.750 19311 4258 1 6 . 1 1 99 99 CYS CA C 99 61.683 61.683 63.020 -1.337 19311 4259 1 6 . 1 1 99 99 CYS CB C 99 27.002 27.002 27.567 -0.565 19311 4260 1 6 . 1 1 99 99 CYS H H 99 8.194 8.194 7.841 0.353 19311 4261 1 6 . 1 1 100 100 VAL N N 100 120.067 120.067 119.300 0.767 19311 4262 1 6 . 1 1 100 100 VAL C C 100 178.191 178.191 177.450 0.741 19311 4263 1 6 . 1 1 100 100 VAL CA C 100 66.503 66.503 66.216 0.287 19311 4264 1 6 . 1 1 100 100 VAL CB C 100 31.299 31.299 31.516 -0.217 19311 4265 1 6 . 1 1 100 100 VAL H H 100 8.584 8.584 8.254 0.330 19311 4266 1 6 . 1 1 101 101 SER N N 101 117.155 117.155 116.639 0.516 19311 4267 1 6 . 1 1 101 101 SER C C 101 177.930 177.930 176.653 1.277 19311 4268 1 6 . 1 1 101 101 SER CA C 101 61.182 61.182 61.651 -0.469 19311 4269 1 6 . 1 1 101 101 SER CB C 101 62.112 62.112 62.995 -0.883 19311 4270 1 6 . 1 1 101 101 SER H H 101 8.685 8.685 8.398 0.287 19311 4271 1 6 . 1 1 102 102 ASN N N 102 120.931 120.931 120.531 0.400 19311 4272 1 6 . 1 1 102 102 ASN C C 102 178.047 178.047 177.652 0.395 19311 4273 1 6 . 1 1 102 102 ASN CA C 102 56.108 56.108 55.924 0.184 19311 4274 1 6 . 1 1 102 102 ASN CB C 102 37.456 37.456 38.138 -0.682 19311 4275 1 6 . 1 1 102 102 ASN H H 102 8.638 8.638 8.091 0.547 19311 4276 1 6 . 1 1 103 103 PHE N N 103 124.907 124.907 122.165 2.742 19311 4277 1 6 . 1 1 103 103 PHE C C 103 177.886 177.886 177.647 0.239 19311 4278 1 6 . 1 1 103 103 PHE CA C 103 61.734 61.734 61.752 -0.018 19311 4279 1 6 . 1 1 103 103 PHE CB C 103 38.976 38.976 39.341 -0.365 19311 4280 1 6 . 1 1 103 103 PHE H H 103 8.495 8.495 8.999 -0.504 19311 4281 1 6 . 1 1 104 104 GLU N N 104 120.930 120.930 120.156 0.774 19311 4282 1 6 . 1 1 104 104 GLU C C 104 180.036 180.036 179.226 0.810 19311 4283 1 6 . 1 1 104 104 GLU CA C 104 59.070 59.070 59.026 0.044 19311 4284 1 6 . 1 1 104 104 GLU CB C 104 28.323 28.323 29.746 -1.423 19311 4285 1 6 . 1 1 104 104 GLU H H 104 8.614 8.614 8.212 0.402 19311 4286 1 6 . 1 1 105 105 ARG N N 105 119.201 119.201 118.120 1.081 19311 4287 1 6 . 1 1 105 105 ARG C C 105 178.097 178.097 178.465 -0.368 19311 4288 1 6 . 1 1 105 105 ARG CA C 105 58.179 58.179 59.008 -0.829 19311 4289 1 6 . 1 1 105 105 ARG CB C 105 29.305 29.305 30.205 -0.900 19311 4290 1 6 . 1 1 105 105 ARG H H 105 7.976 7.976 8.083 -0.107 19311 4291 1 6 . 1 1 106 106 THR N N 106 114.725 114.725 112.949 1.776 19311 4292 1 6 . 1 1 106 106 THR C C 106 175.323 175.323 175.666 -0.343 19311 4293 1 6 . 1 1 106 106 THR CA C 106 65.164 65.164 65.458 -0.294 19311 4294 1 6 . 1 1 106 106 THR CB C 106 68.964 68.964 68.868 0.096 19311 4295 1 6 . 1 1 106 106 THR H H 106 7.744 7.744 7.835 -0.091 19311 4296 1 6 . 1 1 107 107 HIS N N 107 116.911 116.911 115.732 1.179 19311 4297 1 6 . 1 1 107 107 HIS C C 107 174.769 174.769 174.223 0.546 19311 4298 1 6 . 1 1 107 107 HIS CA C 107 56.636 56.636 56.074 0.562 19311 4299 1 6 . 1 1 107 107 HIS CB C 107 29.833 29.833 30.639 -0.805 19311 4300 1 6 . 1 1 107 107 HIS H H 107 8.033 8.033 7.620 0.413 19311 4301 1 6 . 1 1 108 108 ASN N N 108 118.204 118.204 116.368 1.836 19311 4302 1 6 . 1 1 108 108 ASN C C 108 173.328 173.328 174.127 -0.799 19311 4303 1 6 . 1 1 108 108 ASN CA C 108 53.859 53.859 54.647 -0.788 19311 4304 1 6 . 1 1 108 108 ASN CB C 108 36.623 36.623 36.186 0.437 19311 4305 1 6 . 1 1 108 108 ASN H H 108 8.135 8.135 8.339 -0.204 19311 4306 1 6 . 1 1 109 109 CYS N N 109 111.643 111.643 112.270 -0.627 19311 4307 1 6 . 1 1 109 109 CYS C C 109 171.934 171.934 173.298 -1.364 19311 4308 1 6 . 1 1 109 109 CYS CA C 109 55.233 55.233 55.915 -0.682 19311 4309 1 6 . 1 1 109 109 CYS CB C 109 29.518 29.518 30.818 -1.300 19311 4310 1 6 . 1 1 109 109 CYS H H 109 7.493 7.493 7.228 0.265 19311 4311 1 6 . 1 1 110 110 ARG N N 110 117.680 117.680 120.285 -2.605 19311 4312 1 6 . 1 1 110 110 ARG C C 110 179.018 179.018 177.512 1.506 19311 4313 1 6 . 1 1 110 110 ARG CA C 110 54.914 54.914 55.406 -0.492 19311 4314 1 6 . 1 1 110 110 ARG CB C 110 30.252 30.252 31.406 -1.154 19311 4315 1 6 . 1 1 110 110 ARG H H 110 8.271 8.271 8.471 -0.200 19311 4316 1 6 . 1 1 111 111 ILE N N 111 124.684 124.684 120.395 4.289 19311 4317 1 6 . 1 1 111 111 ILE CA C 111 63.115 63.115 64.067 -0.952 19311 4318 1 6 . 1 1 111 111 ILE CB C 111 37.530 37.530 37.303 0.227 19311 4319 1 6 . 1 1 111 111 ILE H H 111 9.551 9.551 8.530 1.021 19311 4320 1 6 . 1 1 112 112 THR N N 112 106.975 106.975 107.755 -0.780 19311 4321 1 6 . 1 1 112 112 THR C C 112 175.160 175.160 174.492 0.668 19311 4322 1 6 . 1 1 112 112 THR CA C 112 60.029 60.029 62.016 -1.987 19311 4323 1 6 . 1 1 112 112 THR CB C 112 67.949 67.949 67.667 0.282 19311 4324 1 6 . 1 1 112 112 THR H H 112 6.484 6.484 7.770 -1.286 19311 4325 1 6 . 1 1 113 113 SER N N 113 118.281 118.281 118.649 -0.368 19311 4326 1 6 . 1 1 113 113 SER C C 113 173.813 173.813 175.025 -1.212 19311 4327 1 6 . 1 1 113 113 SER CA C 113 58.470 58.470 58.696 -0.226 19311 4328 1 6 . 1 1 113 113 SER CB C 113 62.730 62.730 64.106 -1.376 19311 4329 1 6 . 1 1 113 113 SER H H 113 7.446 7.446 7.609 -0.163 19311 4330 1 6 . 1 1 114 114 GLU N N 114 121.273 121.273 121.443 -0.170 19311 4331 1 6 . 1 1 114 114 GLU CA C 114 56.911 56.911 56.468 0.443 19311 4332 1 6 . 1 1 114 114 GLU CB C 114 27.463 27.463 28.090 -0.627 19311 4333 1 6 . 1 1 114 114 GLU H H 114 8.350 8.350 8.833 -0.483 19311 4334 1 6 . 1 1 115 115 THR N N 115 109.184 109.184 112.316 -3.132 19311 4335 1 6 . 1 1 115 115 THR C C 115 177.031 177.031 175.974 1.057 19311 4336 1 6 . 1 1 115 115 THR CA C 115 61.908 61.908 63.050 -1.142 19311 4337 1 6 . 1 1 115 115 THR CB C 115 69.072 69.072 69.796 -0.724 19311 4338 1 6 . 1 1 115 115 THR H H 115 7.689 7.689 8.233 -0.544 19311 4339 1 6 . 1 1 116 116 THR N N 116 115.339 115.339 114.755 0.584 19311 4340 1 6 . 1 1 116 116 THR C C 116 175.023 175.023 174.468 0.555 19311 4341 1 6 . 1 1 116 116 THR CA C 116 63.834 63.834 63.757 0.077 19311 4342 1 6 . 1 1 116 116 THR CB C 116 68.130 68.130 68.861 -0.731 19311 4343 1 6 . 1 1 116 116 THR H H 116 7.979 7.979 8.225 -0.246 19311 4344 1 6 . 1 1 117 117 ASN N N 117 118.558 118.558 116.422 2.136 19311 4345 1 6 . 1 1 117 117 ASN C C 117 174.413 174.413 174.012 0.401 19311 4346 1 6 . 1 1 117 117 ASN CA C 117 53.549 53.549 51.408 2.141 19311 4347 1 6 . 1 1 117 117 ASN CB C 117 37.548 37.548 37.731 -0.183 19311 4348 1 6 . 1 1 117 117 ASN H H 117 8.295 8.295 8.211 0.084 19311 4349 1 6 . 1 1 118 118 CYS N N 118 116.611 116.611 118.033 -1.422 19311 4350 1 6 . 1 1 118 118 CYS C C 118 174.430 174.430 173.388 1.042 19311 4351 1 6 . 1 1 118 118 CYS CA C 118 58.206 58.206 58.238 -0.032 19311 4352 1 6 . 1 1 118 118 CYS CB C 118 28.866 28.866 31.864 -2.998 19311 4353 1 6 . 1 1 118 118 CYS H H 118 7.548 7.548 7.725 -0.177 19311 4354 1 6 . 1 1 119 119 LEU N N 119 125.613 125.613 123.576 2.037 19311 4355 1 6 . 1 1 119 119 LEU C C 119 174.612 174.612 174.996 -0.384 19311 4356 1 6 . 1 1 119 119 LEU CA C 119 54.869 54.869 54.708 0.161 19311 4357 1 6 . 1 1 119 119 LEU CB C 119 42.394 42.394 44.377 -1.983 19311 4358 1 6 . 1 1 119 119 LEU H H 119 8.840 8.840 8.870 -0.030 19311 4359 1 6 . 1 1 120 120 MET N N 120 128.079 128.079 126.828 1.251 19311 4360 1 6 . 1 1 120 120 MET C C 120 174.384 174.384 173.937 0.447 19311 4361 1 6 . 1 1 120 120 MET CA C 120 53.292 53.292 53.271 0.021 19311 4362 1 6 . 1 1 120 120 MET H H 120 9.274 9.274 9.072 0.202 19311 4363 1 6 . 1 1 121 121 ILE N N 121 120.093 120.093 124.204 -4.111 19311 4364 1 6 . 1 1 121 121 ILE C C 121 176.479 176.479 175.338 1.141 19311 4365 1 6 . 1 1 121 121 ILE CA C 121 55.536 55.536 58.482 -2.946 19311 4366 1 6 . 1 1 121 121 ILE CB C 121 36.335 36.335 38.926 -2.591 19311 4367 1 6 . 1 1 121 121 ILE H H 121 8.527 8.527 8.998 -0.471 19311 4368 1 6 . 1 1 122 122 ILE N N 122 119.127 119.127 126.342 -7.215 19311 4369 1 6 . 1 1 122 122 ILE C C 122 174.904 174.904 175.272 -0.368 19311 4370 1 6 . 1 1 122 122 ILE CA C 122 57.790 57.790 59.796 -2.006 19311 4371 1 6 . 1 1 122 122 ILE CB C 122 41.605 41.605 40.834 0.771 19311 4372 1 6 . 1 1 122 122 ILE H H 122 8.913 8.913 8.756 0.157 19311 4373 1 6 . 1 1 123 123 GLY N N 123 106.647 106.647 111.228 -4.581 19311 4374 1 6 . 1 1 123 123 GLY C C 123 170.571 170.571 172.770 -2.199 19311 4375 1 6 . 1 1 123 123 GLY CA C 123 43.698 43.698 44.427 -0.729 19311 4376 1 6 . 1 1 123 123 GLY H H 123 8.373 8.373 8.877 -0.504 19311 4377 1 6 . 1 1 124 124 ASP N N 124 119.021 119.021 120.471 -1.450 19311 4378 1 6 . 1 1 124 124 ASP C C 124 174.481 174.481 174.224 0.257 19311 4379 1 6 . 1 1 124 124 ASP CA C 124 53.993 53.993 55.261 -1.268 19311 4380 1 6 . 1 1 124 124 ASP CB C 124 39.163 39.163 39.841 -0.678 19311 4381 1 6 . 1 1 124 124 ASP H H 124 7.712 7.712 8.301 -0.589 19311 4382 1 6 . 1 1 125 125 ALA N N 125 122.997 122.997 120.919 2.078 19311 4383 1 6 . 1 1 125 125 ALA C C 125 175.798 175.798 175.399 0.399 19311 4384 1 6 . 1 1 125 125 ALA CA C 125 49.258 49.258 50.457 -1.199 19311 4385 1 6 . 1 1 125 125 ALA CB C 125 23.466 23.466 23.058 0.408 19311 4386 1 6 . 1 1 125 125 ALA H H 125 8.502 8.502 8.036 0.466 19311 4387 1 6 . 1 1 126 126 ASP N N 126 121.643 121.643 119.320 2.323 19311 4388 1 6 . 1 1 126 126 ASP C C 126 174.129 174.129 173.928 0.201 19311 4389 1 6 . 1 1 126 126 ASP CA C 126 51.984 51.984 52.804 -0.820 19311 4390 1 6 . 1 1 126 126 ASP CB C 126 43.380 43.380 44.603 -1.224 19311 4391 1 6 . 1 1 126 126 ASP H H 126 8.656 8.656 9.034 -0.378 19311 4392 1 6 . 1 1 127 127 LEU N N 127 124.869 124.869 122.586 2.283 19311 4393 1 6 . 1 1 127 127 LEU C C 127 175.007 175.007 175.529 -0.522 19311 4394 1 6 . 1 1 127 127 LEU CA C 127 53.944 53.944 55.230 -1.286 19311 4395 1 6 . 1 1 127 127 LEU CB C 127 43.759 43.759 41.872 1.887 19311 4396 1 6 . 1 1 127 127 LEU H H 127 8.886 8.886 8.105 0.781 19311 4397 1 6 . 1 1 128 128 VAL N N 128 122.817 122.817 119.925 2.892 19311 4398 1 6 . 1 1 128 128 VAL C C 128 173.242 173.242 173.625 -0.383 19311 4399 1 6 . 1 1 128 128 VAL CA C 128 58.875 58.875 59.583 -0.708 19311 4400 1 6 . 1 1 128 128 VAL CB C 128 34.062 34.062 34.790 -0.728 19311 4401 1 6 . 1 1 128 128 VAL H H 128 8.737 8.737 8.916 -0.179 19311 4402 1 6 . 1 1 129 129 TYR N N 129 120.375 120.375 116.146 4.229 19311 4403 1 6 . 1 1 129 129 TYR C C 129 176.280 176.280 173.734 2.546 19311 4404 1 6 . 1 1 129 129 TYR CA C 129 57.265 57.265 55.722 1.543 19311 4405 1 6 . 1 1 129 129 TYR CB C 129 38.931 38.931 41.396 -2.465 19311 4406 1 6 . 1 1 129 129 TYR H H 129 8.585 8.585 7.957 0.628 19311 4407 1 6 . 1 1 130 130 VAL N N 130 121.466 121.466 122.562 -1.096 19311 4408 1 6 . 1 1 130 130 VAL C C 130 174.139 174.139 174.618 -0.479 19311 4409 1 6 . 1 1 130 130 VAL CA C 130 59.324 59.324 59.444 -0.120 19311 4410 1 6 . 1 1 130 130 VAL CB C 130 34.193 34.193 35.153 -0.960 19311 4411 1 6 . 1 1 130 130 VAL H H 130 8.851 8.851 8.839 0.012 19311 4412 1 6 . 1 1 131 131 THR N N 131 113.648 113.648 118.626 -4.978 19311 4413 1 6 . 1 1 131 131 THR C C 131 175.861 175.861 175.538 0.323 19311 4414 1 6 . 1 1 131 131 THR CA C 131 59.748 59.748 60.003 -0.255 19311 4415 1 6 . 1 1 131 131 THR CB C 131 70.864 70.864 70.947 -0.083 19311 4416 1 6 . 1 1 131 131 THR H H 131 7.768 7.768 8.264 -0.496 19311 4417 1 6 . 1 1 132 132 ASN N N 132 119.407 119.407 121.502 -2.095 19311 4418 1 6 . 1 1 132 132 ASN CA C 132 56.643 56.643 56.855 -0.212 19311 4419 1 6 . 1 1 132 132 ASN CB C 132 38.269 38.269 38.291 -0.022 19311 4420 1 6 . 1 1 132 132 ASN H H 132 8.518 8.518 8.824 -0.306 19311 4421 1 6 . 1 1 133 133 SER C C 133 176.763 176.763 176.127 0.636 19311 4422 1 6 . 1 1 133 133 SER CA C 133 61.287 61.287 61.373 -0.086 19311 4423 1 6 . 1 1 134 134 ARG N N 134 124.193 124.193 122.057 2.136 19311 4424 1 6 . 1 1 134 134 ARG C C 134 178.393 178.393 178.118 0.275 19311 4425 1 6 . 1 1 134 134 ARG CA C 134 57.034 57.034 59.118 -2.084 19311 4426 1 6 . 1 1 134 134 ARG CB C 134 29.051 29.051 30.096 -1.045 19311 4427 1 6 . 1 1 134 134 ARG H H 134 7.333 7.333 7.811 -0.478 19311 4428 1 6 . 1 1 135 135 ALA N N 135 124.165 124.165 121.287 2.878 19311 4429 1 6 . 1 1 135 135 ALA C C 135 180.063 180.063 179.341 0.722 19311 4430 1 6 . 1 1 135 135 ALA CA C 135 55.239 55.239 54.913 0.326 19311 4431 1 6 . 1 1 135 135 ALA CB C 135 16.063 16.063 18.426 -2.363 19311 4432 1 6 . 1 1 135 135 ALA H H 135 8.656 8.656 8.391 0.265 19311 4433 1 6 . 1 1 136 136 MET N N 136 117.770 117.770 118.315 -0.545 19311 4434 1 6 . 1 1 136 136 MET C C 136 178.837 178.837 178.062 0.775 19311 4435 1 6 . 1 1 136 136 MET CA C 136 58.214 58.214 59.113 -0.899 19311 4436 1 6 . 1 1 136 136 MET CB C 136 31.493 31.493 32.524 -1.031 19311 4437 1 6 . 1 1 136 136 MET H H 136 8.211 8.211 8.301 -0.090 19311 4438 1 6 . 1 1 137 137 SER N N 137 114.607 114.607 113.857 0.750 19311 4439 1 6 . 1 1 137 137 SER C C 137 176.196 176.196 176.312 -0.116 19311 4440 1 6 . 1 1 137 137 SER CA C 137 60.589 60.589 60.576 0.013 19311 4441 1 6 . 1 1 137 137 SER CB C 137 62.236 62.236 63.159 -0.923 19311 4442 1 6 . 1 1 137 137 SER H H 137 8.021 8.021 8.062 -0.041 19311 4443 1 6 . 1 1 138 138 HIS N N 138 120.793 120.793 120.773 0.020 19311 4444 1 6 . 1 1 138 138 HIS C C 138 174.530 174.530 177.555 -3.025 19311 4445 1 6 . 1 1 138 138 HIS CA C 138 58.296 58.296 58.782 -0.486 19311 4446 1 6 . 1 1 138 138 HIS CB C 138 29.593 29.593 30.081 -0.488 19311 4447 1 6 . 1 1 138 138 HIS H H 138 8.462 8.462 7.968 0.494 19311 4448 1 6 . 1 1 139 139 PHE N N 139 114.046 114.046 116.442 -2.396 19311 4449 1 6 . 1 1 139 139 PHE C C 139 173.540 173.540 176.017 -2.477 19311 4450 1 6 . 1 1 139 139 PHE CA C 139 58.722 58.722 56.994 1.728 19311 4451 1 6 . 1 1 139 139 PHE CB C 139 38.583 38.583 38.430 0.153 19311 4452 1 6 . 1 1 139 139 PHE H H 139 7.466 7.466 7.342 0.124 19311 4453 1 6 . 1 1 140 140 LYS N N 140 110.734 110.734 114.771 -4.037 19311 4454 1 6 . 1 1 140 140 LYS C C 140 175.951 175.951 175.638 0.313 19311 4455 1 6 . 1 1 140 140 LYS CA C 140 56.106 56.106 57.250 -1.144 19311 4456 1 6 . 1 1 140 140 LYS CB C 140 27.887 27.887 30.173 -2.286 19311 4457 1 6 . 1 1 140 140 LYS H H 140 7.141 7.141 8.003 -0.862 19311 4458 1 6 . 1 1 141 141 ILE N N 141 114.716 114.716 118.615 -3.899 19311 4459 1 6 . 1 1 141 141 ILE C C 141 173.514 173.514 173.495 0.019 19311 4460 1 6 . 1 1 141 141 ILE CA C 141 58.801 58.801 60.034 -1.233 19311 4461 1 6 . 1 1 141 141 ILE CB C 141 41.595 41.595 40.128 1.467 19311 4462 1 6 . 1 1 141 141 ILE H H 141 7.309 7.309 7.981 -0.672 19311 4463 1 6 . 1 1 142 142 SER N N 142 115.031 115.031 121.157 -6.126 19311 4464 1 6 . 1 1 142 142 SER C C 142 176.437 176.437 175.716 0.721 19311 4465 1 6 . 1 1 142 142 SER CA C 142 55.685 55.685 58.515 -2.830 19311 4466 1 6 . 1 1 142 142 SER CB C 142 62.911 62.911 63.947 -1.036 19311 4467 1 6 . 1 1 142 142 SER H H 142 7.814 7.814 8.197 -0.383 19311 4468 1 6 . 1 1 143 143 LEU N N 143 127.405 127.405 126.800 0.605 19311 4469 1 6 . 1 1 143 143 LEU C C 143 178.496 178.496 177.760 0.736 19311 4470 1 6 . 1 1 143 143 LEU CA C 143 56.183 56.183 55.613 0.570 19311 4471 1 6 . 1 1 143 143 LEU CB C 143 40.186 40.186 41.176 -0.990 19311 4472 1 6 . 1 1 143 143 LEU H H 143 8.735 8.735 9.177 -0.442 19311 4473 1 6 . 1 1 144 144 SER N N 144 114.479 114.479 114.056 0.423 19311 4474 1 6 . 1 1 144 144 SER CA C 144 60.242 60.242 60.809 -0.567 19311 4475 1 6 . 1 1 144 144 SER CB C 144 61.694 61.694 63.037 -1.343 19311 4476 1 6 . 1 1 144 144 SER H H 144 8.140 8.140 7.897 0.243 19311 4477 1 6 . 1 1 145 145 ASN N N 145 117.299 117.299 118.798 -1.499 19311 4478 1 6 . 1 1 145 145 ASN C C 145 175.940 175.940 175.534 0.406 19311 4479 1 6 . 1 1 145 145 ASN CA C 145 54.269 54.269 54.617 -0.348 19311 4480 1 6 . 1 1 145 145 ASN CB C 145 38.284 38.284 39.783 -1.499 19311 4481 1 6 . 1 1 145 145 ASN H H 145 7.735 7.735 7.648 0.087 19311 4482 1 6 . 1 1 146 146 ILE N N 146 112.479 112.479 111.246 1.233 19311 4483 1 6 . 1 1 146 146 ILE C C 146 174.155 174.155 174.624 -0.469 19311 4484 1 6 . 1 1 146 146 ILE CA C 146 60.838 60.838 61.007 -0.169 19311 4485 1 6 . 1 1 146 146 ILE CB C 146 39.123 39.123 39.824 -0.701 19311 4486 1 6 . 1 1 146 146 ILE H H 146 7.489 7.489 7.495 -0.006 19311 4487 1 6 . 1 1 147 147 SER N N 147 114.961 114.961 115.045 -0.084 19311 4488 1 6 . 1 1 147 147 SER CA C 147 56.770 56.770 56.846 -0.076 19311 4489 1 6 . 1 1 147 147 SER CB C 147 64.077 64.077 65.881 -1.804 19311 4490 1 6 . 1 1 147 147 SER H H 147 7.794 7.794 7.988 -0.194 19311 4491 1 6 . 1 1 148 148 SER C C 148 174.292 174.292 174.786 -0.494 19311 4492 1 6 . 1 1 148 148 SER CA C 148 58.192 58.192 58.813 -0.621 19311 4493 1 6 . 1 1 148 148 SER CB C 148 62.840 62.840 63.689 -0.849 19311 4494 1 6 . 1 1 149 149 LYS N N 149 122.096 122.096 122.118 -0.022 19311 4495 1 6 . 1 1 149 149 LYS CA C 149 54.607 54.607 54.807 -0.201 19311 4496 1 6 . 1 1 149 149 LYS CB C 149 33.707 33.707 34.885 -1.178 19311 4497 1 6 . 1 1 149 149 LYS H H 149 8.049 8.049 7.263 0.786 19311 4498 1 6 . 1 1 150 150 GLU N N 150 120.070 120.070 118.770 1.300 19311 4499 1 6 . 1 1 150 150 GLU C C 150 174.162 174.162 175.339 -1.177 19311 4500 1 6 . 1 1 150 150 GLU CA C 150 56.703 56.703 56.783 -0.081 19311 4501 1 6 . 1 1 150 150 GLU CB C 150 29.037 29.037 30.089 -1.052 19311 4502 1 6 . 1 1 150 150 GLU H H 150 8.613 8.613 8.732 -0.119 19311 4503 1 6 . 1 1 151 151 ILE N N 151 118.006 118.006 113.353 4.653 19311 4504 1 6 . 1 1 151 151 ILE C C 151 175.069 175.069 174.363 0.706 19311 4505 1 6 . 1 1 151 151 ILE CA C 151 59.088 59.088 59.376 -0.288 19311 4506 1 6 . 1 1 151 151 ILE CB C 151 39.773 39.773 41.681 -1.907 19311 4507 1 6 . 1 1 151 151 ILE H H 151 6.873 6.873 7.366 -0.493 19311 4508 1 6 . 1 1 152 152 VAL N N 152 117.278 117.278 121.894 -4.616 19311 4509 1 6 . 1 1 152 152 VAL CA C 152 56.340 56.340 58.441 -2.101 19311 4510 1 6 . 1 1 152 152 VAL CB C 152 33.340 33.340 35.584 -2.244 19311 4511 1 6 . 1 1 152 152 VAL H H 152 8.401 8.401 8.812 -0.411 19311 4512 1 6 . 1 1 153 153 PRO C C 153 175.090 175.090 175.867 -0.777 19311 4513 1 6 . 1 1 153 153 PRO CA C 153 60.885 60.885 63.327 -2.442 19311 4514 1 6 . 1 1 153 153 PRO CB C 153 31.113 31.113 31.697 -0.584 19311 4515 1 6 . 1 1 154 154 VAL N N 154 124.951 124.951 121.316 3.635 19311 4516 1 6 . 1 1 154 154 VAL C C 154 174.325 174.325 174.139 0.186 19311 4517 1 6 . 1 1 154 154 VAL CA C 154 59.700 59.700 60.444 -0.744 19311 4518 1 6 . 1 1 154 154 VAL CB C 154 35.364 35.364 36.901 -1.537 19311 4519 1 6 . 1 1 154 154 VAL H H 154 9.206 9.206 8.612 0.594 19311 4520 1 6 . 1 1 155 155 LEU N N 155 122.272 122.272 125.596 -3.324 19311 4521 1 6 . 1 1 155 155 LEU C C 155 174.865 174.865 174.261 0.604 19311 4522 1 6 . 1 1 155 155 LEU CA C 155 52.543 52.543 53.396 -0.853 19311 4523 1 6 . 1 1 155 155 LEU CB C 155 43.016 43.016 44.636 -1.621 19311 4524 1 6 . 1 1 155 155 LEU H H 155 7.818 7.818 8.914 -1.096 19311 4525 1 6 . 1 1 156 156 ASN N N 156 126.663 126.663 125.383 1.280 19311 4526 1 6 . 1 1 156 156 ASN C C 156 174.956 174.956 174.377 0.579 19311 4527 1 6 . 1 1 156 156 ASN CA C 156 51.381 51.381 52.110 -0.729 19311 4528 1 6 . 1 1 156 156 ASN CB C 156 38.588 38.588 39.952 -1.364 19311 4529 1 6 . 1 1 156 156 ASN H H 156 9.256 9.256 8.982 0.274 19311 4530 1 6 . 1 1 157 157 VAL N N 157 126.547 126.547 125.564 0.983 19311 4531 1 6 . 1 1 157 157 VAL C C 157 174.990 174.990 174.651 0.339 19311 4532 1 6 . 1 1 157 157 VAL CA C 157 62.737 62.737 61.399 1.338 19311 4533 1 6 . 1 1 157 157 VAL CB C 157 33.901 33.901 34.844 -0.943 19311 4534 1 6 . 1 1 157 157 VAL H H 157 8.730 8.730 8.763 -0.033 19311 4535 1 6 . 1 1 158 158 ASN N N 158 122.925 122.925 121.353 1.572 19311 4536 1 6 . 1 1 158 158 ASN C C 158 174.151 174.151 175.138 -0.987 19311 4537 1 6 . 1 1 158 158 ASN CA C 158 53.155 53.155 53.311 -0.156 19311 4538 1 6 . 1 1 158 158 ASN CB C 158 40.955 40.955 41.966 -1.011 19311 4539 1 6 . 1 1 158 158 ASN H H 158 8.086 8.086 8.493 -0.407 19311 4540 1 6 . 1 1 159 159 GLN N N 159 118.639 118.639 118.647 -0.008 19311 4541 1 6 . 1 1 159 159 GLN C C 159 174.146 174.146 173.678 0.468 19311 4542 1 6 . 1 1 159 159 GLN CA C 159 54.960 54.960 54.387 0.573 19311 4543 1 6 . 1 1 159 159 GLN CB C 159 33.259 33.259 32.676 0.583 19311 4544 1 6 . 1 1 159 159 GLN H H 159 8.013 8.013 8.377 -0.364 19311 4545 1 6 . 1 1 160 160 ALA N N 160 121.359 121.359 125.221 -3.862 19311 4546 1 6 . 1 1 160 160 ALA C C 160 176.623 176.623 175.953 0.670 19311 4547 1 6 . 1 1 160 160 ALA CA C 160 51.336 51.336 51.298 0.038 19311 4548 1 6 . 1 1 160 160 ALA CB C 160 20.748 20.748 22.813 -2.065 19311 4549 1 6 . 1 1 160 160 ALA H H 160 8.277 8.277 8.475 -0.198 19311 4550 1 6 . 1 1 161 161 THR N N 161 115.028 115.028 113.994 1.034 19311 4551 1 6 . 1 1 161 161 THR CA C 161 59.988 59.988 61.064 -1.076 19311 4552 1 6 . 1 1 161 161 THR CB C 161 69.766 69.766 71.599 -1.833 19311 4553 1 6 . 1 1 161 161 THR H H 161 9.101 9.101 8.541 0.560 19311 4554 1 6 . 1 1 162 162 ILE C C 162 175.079 175.079 174.647 0.432 19311 4555 1 6 . 1 1 162 162 ILE CA C 162 62.025 62.025 61.299 0.726 19311 4556 1 6 . 1 1 162 162 ILE CB C 162 39.360 39.360 39.433 -0.073 19311 4557 1 6 . 1 1 163 163 PHE N N 163 128.730 128.730 127.755 0.975 19311 4558 1 6 . 1 1 163 163 PHE CA C 163 59.063 59.063 59.221 -0.158 19311 4559 1 6 . 1 1 163 163 PHE CB C 163 39.535 39.535 41.869 -2.334 19311 4560 1 6 . 1 1 163 163 PHE H H 163 9.310 9.310 8.883 0.427 19311 4561 1 6 . 1 1 165 165 ILE C C 165 175.305 175.305 174.655 0.650 19311 4562 1 6 . 1 1 165 165 ILE CA C 165 60.713 60.713 60.944 -0.231 19311 4563 1 6 . 1 1 165 165 ILE CB C 165 38.555 38.555 37.743 0.812 19311 4564 1 6 . 1 1 166 166 ASP N N 166 124.971 124.971 121.085 3.886 19311 4565 1 6 . 1 1 166 166 ASP C C 166 175.583 175.583 176.124 -0.541 19311 4566 1 6 . 1 1 166 166 ASP CA C 166 53.988 53.988 55.005 -1.017 19311 4567 1 6 . 1 1 166 166 ASP CB C 166 41.109 41.109 41.399 -0.290 19311 4568 1 6 . 1 1 166 166 ASP H H 166 8.400 8.400 7.741 0.659 19311 4569 1 6 . 1 1 167 167 GLN N N 167 122.323 122.323 124.496 -2.173 19311 4570 1 6 . 1 1 167 167 GLN C C 167 175.699 175.699 175.077 0.622 19311 4571 1 6 . 1 1 167 167 GLN CA C 167 55.012 55.012 56.743 -1.731 19311 4572 1 6 . 1 1 167 167 GLN CB C 167 28.830 28.830 29.637 -0.806 19311 4573 1 6 . 1 1 167 167 GLN H H 167 8.379 8.379 8.370 0.009 19311 4574 1 6 . 1 1 168 168 VAL N N 168 122.545 122.545 120.049 2.496 19311 4575 1 6 . 1 1 168 168 VAL C C 168 176.586 176.586 175.352 1.234 19311 4576 1 6 . 1 1 168 168 VAL CA C 168 62.315 62.315 60.101 2.214 19311 4577 1 6 . 1 1 168 168 VAL CB C 168 31.976 31.976 34.255 -2.279 19311 4578 1 6 . 1 1 168 168 VAL H H 168 8.097 8.097 8.361 -0.264 19311 4579 1 6 . 1 1 169 169 GLY N N 169 112.864 112.864 107.450 5.414 19311 4580 1 6 . 1 1 169 169 GLY CA C 169 44.508 44.508 44.085 0.423 19311 4581 1 6 . 1 1 169 169 GLY H H 169 8.349 8.349 8.410 -0.061 19311 4582 1 6 . 1 1 171 171 LEU C C 171 177.338 177.338 177.040 0.298 19311 4583 1 6 . 1 1 171 171 LEU CA C 171 54.598 54.598 53.949 0.649 19311 4584 1 6 . 1 1 171 171 LEU CB C 171 40.893 40.893 43.067 -2.174 19311 4585 1 6 . 1 1 172 172 SER N N 172 117.418 117.418 122.396 -4.978 19311 4586 1 6 . 1 1 172 172 SER C C 172 172.759 172.759 174.583 -1.824 19311 4587 1 6 . 1 1 172 172 SER CA C 172 57.862 57.862 57.997 -0.135 19311 4588 1 6 . 1 1 172 172 SER CB C 172 63.116 63.116 64.133 -1.017 19311 4589 1 6 . 1 1 172 172 SER H H 172 7.985 7.985 9.125 -1.140 19311 4590 1 6 . 1 1 173 173 THR N N 173 116.665 116.665 114.901 1.764 19311 4591 1 6 . 1 1 173 173 THR C C 173 173.571 173.571 173.274 0.297 19311 4592 1 6 . 1 1 173 173 THR CA C 173 61.126 61.126 64.403 -3.277 19311 4593 1 6 . 1 1 173 173 THR CB C 173 69.260 69.260 68.819 0.441 19311 4594 1 6 . 1 1 173 173 THR H H 173 7.922 7.922 8.332 -0.410 19311 4595 1 6 . 1 1 174 174 PHE N N 174 125.740 125.740 118.751 6.989 19311 4596 1 6 . 1 1 174 174 PHE CA C 174 54.742 54.742 54.337 0.405 19311 4597 1 6 . 1 1 174 174 PHE CB C 174 38.364 38.364 40.778 -2.414 19311 4598 1 6 . 1 1 174 174 PHE H H 174 8.618 8.618 7.649 0.969 19311 4599 1 6 . 1 1 175 175 PRO C C 175 178.235 178.235 177.411 0.824 19311 4600 1 6 . 1 1 175 175 PRO CA C 175 61.555 61.555 62.896 -1.341 19311 4601 1 6 . 1 1 175 175 PRO CB C 175 31.606 31.606 31.961 -0.355 19311 4602 1 6 . 1 1 176 176 PHE N N 176 119.598 119.598 123.729 -4.131 19311 4603 1 6 . 1 1 176 176 PHE C C 176 178.361 178.361 177.909 0.452 19311 4604 1 6 . 1 1 176 176 PHE CA C 176 59.631 59.631 58.928 0.702 19311 4605 1 6 . 1 1 176 176 PHE CB C 176 39.493 39.493 38.094 1.399 19311 4606 1 6 . 1 1 176 176 PHE H H 176 9.179 9.179 8.725 0.454 19311 4607 1 6 . 1 1 177 177 VAL N N 177 121.283 121.283 115.859 5.424 19311 4608 1 6 . 1 1 177 177 VAL C C 177 174.922 174.922 176.446 -1.524 19311 4609 1 6 . 1 1 177 177 VAL CA C 177 62.670 62.670 65.694 -3.023 19311 4610 1 6 . 1 1 177 177 VAL CB C 177 31.437 31.437 31.338 0.099 19311 4611 1 6 . 1 1 177 177 VAL H H 177 9.408 9.408 7.620 1.788 19311 4612 1 6 . 1 1 178 178 TYR N N 178 116.602 116.602 120.209 -3.607 19311 4613 1 6 . 1 1 178 178 TYR C C 178 176.839 176.839 177.776 -0.937 19311 4614 1 6 . 1 1 178 178 TYR CA C 178 56.575 56.575 60.767 -4.192 19311 4615 1 6 . 1 1 178 178 TYR CB C 178 35.764 35.764 39.003 -3.239 19311 4616 1 6 . 1 1 178 178 TYR H H 178 6.166 6.166 7.662 -1.496 19311 4617 1 6 . 1 1 179 179 LYS N N 179 118.114 118.114 120.891 -2.777 19311 4618 1 6 . 1 1 179 179 LYS C C 179 176.384 176.384 177.172 -0.788 19311 4619 1 6 . 1 1 179 179 LYS CA C 179 57.540 57.540 58.865 -1.325 19311 4620 1 6 . 1 1 179 179 LYS CB C 179 31.024 31.024 32.317 -1.293 19311 4621 1 6 . 1 1 179 179 LYS H H 179 7.554 7.554 8.173 -0.619 19311 4622 1 6 . 1 1 180 180 TYR N N 180 117.346 117.346 114.393 2.953 19311 4623 1 6 . 1 1 180 180 TYR C C 180 174.479 174.479 175.406 -0.927 19311 4624 1 6 . 1 1 180 180 TYR CA C 180 57.407 57.407 56.777 0.630 19311 4625 1 6 . 1 1 180 180 TYR CB C 180 38.020 38.020 38.380 -0.360 19311 4626 1 6 . 1 1 180 180 TYR H H 180 7.788 7.788 7.644 0.144 19311 4627 1 7 . 1 1 13 13 THR C C 13 174.300 174.300 174.598 -0.298 19311 4628 1 7 . 1 1 13 13 THR CA C 13 61.472 61.472 61.282 0.189 19311 4629 1 7 . 1 1 13 13 THR CB C 13 69.201 69.201 69.567 -0.366 19311 4630 1 7 . 1 1 14 14 ASP N N 14 123.228 123.228 123.610 -0.382 19311 4631 1 7 . 1 1 14 14 ASP C C 14 176.245 176.245 176.808 -0.563 19311 4632 1 7 . 1 1 14 14 ASP CA C 14 53.996 53.996 54.758 -0.762 19311 4633 1 7 . 1 1 14 14 ASP CB C 14 41.601 41.601 41.665 -0.064 19311 4634 1 7 . 1 1 14 14 ASP H H 14 8.321 8.321 7.732 0.589 19311 4635 1 7 . 1 1 15 15 SER N N 15 115.463 115.463 116.674 -1.211 19311 4636 1 7 . 1 1 15 15 SER C C 15 175.991 175.991 176.216 -0.225 19311 4637 1 7 . 1 1 15 15 SER CA C 15 58.020 58.020 59.255 -1.235 19311 4638 1 7 . 1 1 15 15 SER CB C 15 63.080 63.080 63.486 -0.406 19311 4639 1 7 . 1 1 15 15 SER H H 15 8.403 8.403 8.395 0.008 19311 4640 1 7 . 1 1 16 16 VAL N N 16 124.538 124.538 123.195 1.343 19311 4641 1 7 . 1 1 16 16 VAL C C 16 176.097 176.097 176.655 -0.558 19311 4642 1 7 . 1 1 16 16 VAL CA C 16 62.750 62.750 65.103 -2.353 19311 4643 1 7 . 1 1 16 16 VAL CB C 16 30.859 30.859 31.803 -0.944 19311 4644 1 7 . 1 1 16 16 VAL H H 16 8.139 8.139 7.684 0.455 19311 4645 1 7 . 1 1 17 17 PHE N N 17 119.242 119.242 113.354 5.888 19311 4646 1 7 . 1 1 17 17 PHE C C 17 176.086 176.086 174.384 1.702 19311 4647 1 7 . 1 1 17 17 PHE CA C 17 58.934 58.934 55.733 3.201 19311 4648 1 7 . 1 1 17 17 PHE CB C 17 38.133 38.133 37.957 0.176 19311 4649 1 7 . 1 1 17 17 PHE H H 17 7.575 7.575 6.729 0.846 19311 4650 1 7 . 1 1 18 18 LEU N N 18 121.292 121.292 119.779 1.513 19311 4651 1 7 . 1 1 18 18 LEU C C 18 173.871 173.871 176.216 -2.345 19311 4652 1 7 . 1 1 18 18 LEU CA C 18 54.048 54.048 52.847 1.201 19311 4653 1 7 . 1 1 18 18 LEU CB C 18 41.529 41.529 41.509 0.020 19311 4654 1 7 . 1 1 18 18 LEU H H 18 7.586 7.586 7.418 0.168 19311 4655 1 7 . 1 1 19 19 GLN N N 19 128.124 128.124 120.231 7.893 19311 4656 1 7 . 1 1 19 19 GLN CA C 19 53.131 53.131 54.934 -1.803 19311 4657 1 7 . 1 1 19 19 GLN CB C 19 30.299 30.299 27.996 2.303 19311 4658 1 7 . 1 1 19 19 GLN H H 19 8.893 8.893 7.626 1.267 19311 4659 1 7 . 1 1 20 20 PRO C C 20 176.974 176.974 175.993 0.981 19311 4660 1 7 . 1 1 20 20 PRO CA C 20 62.459 62.459 63.582 -1.123 19311 4661 1 7 . 1 1 20 20 PRO CB C 20 29.693 29.693 31.711 -2.018 19311 4662 1 7 . 1 1 21 21 TRP N N 21 126.042 126.042 121.218 4.824 19311 4663 1 7 . 1 1 21 21 TRP C C 21 176.624 176.624 175.989 0.635 19311 4664 1 7 . 1 1 21 21 TRP CA C 21 58.241 58.241 56.405 1.836 19311 4665 1 7 . 1 1 21 21 TRP CB C 21 31.457 31.457 30.045 1.412 19311 4666 1 7 . 1 1 21 21 TRP H H 21 9.813 9.813 9.092 0.721 19311 4667 1 7 . 1 1 22 22 ILE N N 22 128.281 128.281 123.346 4.935 19311 4668 1 7 . 1 1 22 22 ILE C C 22 176.776 176.776 176.998 -0.222 19311 4669 1 7 . 1 1 22 22 ILE CA C 22 66.628 66.628 65.332 1.296 19311 4670 1 7 . 1 1 22 22 ILE CB C 22 37.455 37.455 37.168 0.287 19311 4671 1 7 . 1 1 22 22 ILE H H 22 8.438 8.438 8.071 0.367 19311 4672 1 7 . 1 1 23 23 LYS N N 23 121.661 121.661 121.093 0.568 19311 4673 1 7 . 1 1 23 23 LYS C C 23 177.812 177.812 177.982 -0.170 19311 4674 1 7 . 1 1 23 23 LYS CA C 23 60.467 60.467 59.716 0.751 19311 4675 1 7 . 1 1 23 23 LYS CB C 23 31.055 31.055 31.577 -0.522 19311 4676 1 7 . 1 1 23 23 LYS H H 23 9.062 9.062 7.552 1.510 19311 4677 1 7 . 1 1 24 24 ALA N N 24 120.454 120.454 121.432 -0.978 19311 4678 1 7 . 1 1 24 24 ALA C C 24 179.285 179.285 179.744 -0.459 19311 4679 1 7 . 1 1 24 24 ALA CA C 24 54.076 54.076 54.716 -0.640 19311 4680 1 7 . 1 1 24 24 ALA CB C 24 17.220 17.220 18.042 -0.822 19311 4681 1 7 . 1 1 24 24 ALA H H 24 8.447 8.447 7.984 0.463 19311 4682 1 7 . 1 1 25 25 LEU N N 25 120.482 120.482 120.469 0.013 19311 4683 1 7 . 1 1 25 25 LEU C C 25 180.269 180.269 178.547 1.722 19311 4684 1 7 . 1 1 25 25 LEU CA C 25 58.102 58.102 58.489 -0.387 19311 4685 1 7 . 1 1 25 25 LEU CB C 25 41.636 41.636 42.319 -0.683 19311 4686 1 7 . 1 1 25 25 LEU H H 25 8.071 8.071 7.815 0.256 19311 4687 1 7 . 1 1 26 26 ILE N N 26 119.868 119.868 114.487 5.381 19311 4688 1 7 . 1 1 26 26 ILE C C 26 179.617 179.617 177.188 2.429 19311 4689 1 7 . 1 1 26 26 ILE CA C 26 63.547 63.547 63.884 -0.337 19311 4690 1 7 . 1 1 26 26 ILE CB C 26 35.786 35.786 37.529 -1.743 19311 4691 1 7 . 1 1 26 26 ILE H H 26 8.158 8.158 7.786 0.372 19311 4692 1 7 . 1 1 27 27 GLU N N 27 122.067 122.067 120.743 1.324 19311 4693 1 7 . 1 1 27 27 GLU C C 27 179.103 179.103 179.462 -0.359 19311 4694 1 7 . 1 1 27 27 GLU CA C 27 59.138 59.138 59.441 -0.304 19311 4695 1 7 . 1 1 27 27 GLU CB C 27 28.461 28.461 29.694 -1.232 19311 4696 1 7 . 1 1 27 27 GLU H H 27 8.543 8.543 8.190 0.353 19311 4697 1 7 . 1 1 28 28 ASP N N 28 119.228 119.228 118.668 0.560 19311 4698 1 7 . 1 1 28 28 ASP C C 28 176.992 176.992 177.255 -0.263 19311 4699 1 7 . 1 1 28 28 ASP CA C 28 55.657 55.657 56.692 -1.035 19311 4700 1 7 . 1 1 28 28 ASP CB C 28 40.403 40.403 40.914 -0.511 19311 4701 1 7 . 1 1 28 28 ASP H H 28 8.396 8.396 8.335 0.061 19311 4702 1 7 . 1 1 29 29 ASN N N 29 117.545 117.545 116.611 0.934 19311 4703 1 7 . 1 1 29 29 ASN C C 29 174.277 174.277 175.399 -1.122 19311 4704 1 7 . 1 1 29 29 ASN CA C 29 53.694 53.694 52.588 1.106 19311 4705 1 7 . 1 1 29 29 ASN CB C 29 40.069 40.069 38.967 1.102 19311 4706 1 7 . 1 1 29 29 ASN H H 29 7.536 7.536 7.949 -0.413 19311 4707 1 7 . 1 1 30 30 SER N N 30 115.444 115.444 115.943 -0.499 19311 4708 1 7 . 1 1 30 30 SER C C 30 173.942 173.942 175.374 -1.432 19311 4709 1 7 . 1 1 30 30 SER CA C 30 58.804 58.804 60.568 -1.764 19311 4710 1 7 . 1 1 30 30 SER CB C 30 63.838 63.838 63.708 0.130 19311 4711 1 7 . 1 1 30 30 SER H H 30 7.704 7.704 7.483 0.221 19311 4712 1 7 . 1 1 31 31 GLU N N 31 122.456 122.456 123.770 -1.314 19311 4713 1 7 . 1 1 31 31 GLU C C 31 176.234 176.234 176.827 -0.593 19311 4714 1 7 . 1 1 31 31 GLU CA C 31 55.633 55.633 55.439 0.194 19311 4715 1 7 . 1 1 31 31 GLU CB C 31 29.619 29.619 28.127 1.492 19311 4716 1 7 . 1 1 31 31 GLU H H 31 8.287 8.287 8.503 -0.216 19311 4717 1 7 . 1 1 32 32 HIS N N 32 120.953 120.953 119.934 1.019 19311 4718 1 7 . 1 1 32 32 HIS C C 32 174.779 174.779 175.120 -0.341 19311 4719 1 7 . 1 1 32 32 HIS CA C 32 56.355 56.355 58.014 -1.659 19311 4720 1 7 . 1 1 32 32 HIS CB C 32 29.467 29.467 29.630 -0.163 19311 4721 1 7 . 1 1 32 32 HIS H H 32 8.207 8.207 8.095 0.112 19311 4722 1 7 . 1 1 33 33 ASP N N 33 120.471 120.471 117.578 2.893 19311 4723 1 7 . 1 1 33 33 ASP C C 33 175.225 175.225 176.771 -1.546 19311 4724 1 7 . 1 1 33 33 ASP CA C 33 54.277 54.277 54.911 -0.634 19311 4725 1 7 . 1 1 33 33 ASP CB C 33 40.007 40.007 40.400 -0.393 19311 4726 1 7 . 1 1 33 33 ASP H H 33 8.256 8.256 8.234 0.022 19311 4727 1 7 . 1 1 34 34 GLN N N 34 118.522 118.522 116.240 2.282 19311 4728 1 7 . 1 1 34 34 GLN C C 34 175.275 175.275 176.289 -1.014 19311 4729 1 7 . 1 1 34 34 GLN CA C 34 55.388 55.388 55.039 0.349 19311 4730 1 7 . 1 1 34 34 GLN CB C 34 28.586 28.586 30.525 -1.939 19311 4731 1 7 . 1 1 34 34 GLN H H 34 7.854 7.854 7.646 0.208 19311 4732 1 7 . 1 1 35 35 TYR N N 35 120.831 120.831 122.402 -1.571 19311 4733 1 7 . 1 1 35 35 TYR C C 35 174.882 174.882 175.012 -0.130 19311 4734 1 7 . 1 1 35 35 TYR CA C 35 56.752 56.752 59.085 -2.333 19311 4735 1 7 . 1 1 35 35 TYR CB C 35 36.712 36.712 38.731 -2.019 19311 4736 1 7 . 1 1 35 35 TYR H H 35 8.072 8.072 7.718 0.354 19311 4737 1 7 . 1 1 36 36 HIS N N 36 121.429 121.429 128.786 -7.357 19311 4738 1 7 . 1 1 36 36 HIS CA C 36 53.280 53.280 56.270 -2.990 19311 4739 1 7 . 1 1 36 36 HIS CB C 36 29.223 29.223 30.288 -1.065 19311 4740 1 7 . 1 1 36 36 HIS H H 36 7.788 7.788 8.197 -0.409 19311 4741 1 7 . 1 1 37 37 PRO C C 37 177.021 177.021 176.851 0.170 19311 4742 1 7 . 1 1 37 37 PRO CA C 37 62.947 62.947 65.011 -2.064 19311 4743 1 7 . 1 1 37 37 PRO CB C 37 31.735 31.735 31.984 -0.249 19311 4744 1 7 . 1 1 38 38 SER N N 38 117.550 117.550 111.330 6.220 19311 4745 1 7 . 1 1 38 38 SER C C 38 174.281 174.281 174.107 0.174 19311 4746 1 7 . 1 1 38 38 SER CA C 38 57.494 57.494 57.600 -0.106 19311 4747 1 7 . 1 1 38 38 SER CB C 38 63.795 63.795 64.338 -0.543 19311 4748 1 7 . 1 1 38 38 SER H H 38 8.808 8.808 8.364 0.444 19311 4749 1 7 . 1 1 39 39 GLY N N 39 113.547 113.547 108.211 5.336 19311 4750 1 7 . 1 1 39 39 GLY C C 39 173.690 173.690 172.971 0.719 19311 4751 1 7 . 1 1 39 39 GLY CA C 39 44.463 44.463 44.010 0.453 19311 4752 1 7 . 1 1 39 39 GLY H H 39 8.564 8.564 7.553 1.011 19311 4753 1 7 . 1 1 40 40 HIS N N 40 121.529 121.529 119.581 1.948 19311 4754 1 7 . 1 1 40 40 HIS C C 40 175.794 175.794 175.317 0.477 19311 4755 1 7 . 1 1 40 40 HIS CA C 40 55.796 55.796 55.686 0.110 19311 4756 1 7 . 1 1 40 40 HIS CB C 40 26.887 26.887 33.450 -6.563 19311 4757 1 7 . 1 1 40 40 HIS H H 40 9.071 9.071 8.431 0.640 19311 4758 1 7 . 1 1 41 41 VAL N N 41 115.423 115.423 121.322 -5.899 19311 4759 1 7 . 1 1 41 41 VAL C C 41 176.247 176.247 176.131 0.116 19311 4760 1 7 . 1 1 41 41 VAL CA C 41 62.424 62.424 63.920 -1.496 19311 4761 1 7 . 1 1 41 41 VAL CB C 41 31.201 31.201 33.170 -1.969 19311 4762 1 7 . 1 1 41 41 VAL H H 41 8.201 8.201 8.884 -0.683 19311 4763 1 7 . 1 1 42 42 ILE N N 42 120.213 120.213 120.475 -0.262 19311 4764 1 7 . 1 1 42 42 ILE CA C 42 58.655 58.655 58.563 0.092 19311 4765 1 7 . 1 1 42 42 ILE CB C 42 39.579 39.579 38.397 1.182 19311 4766 1 7 . 1 1 42 42 ILE H H 42 7.305 7.305 7.641 -0.336 19311 4767 1 7 . 1 1 43 43 PRO C C 43 177.076 177.076 176.715 0.361 19311 4768 1 7 . 1 1 43 43 PRO CA C 43 62.446 62.446 63.146 -0.700 19311 4769 1 7 . 1 1 43 43 PRO CB C 43 32.486 32.486 32.306 0.180 19311 4770 1 7 . 1 1 44 44 SER N N 44 116.530 116.530 116.474 0.056 19311 4771 1 7 . 1 1 44 44 SER C C 44 173.398 173.398 173.983 -0.585 19311 4772 1 7 . 1 1 44 44 SER CA C 44 57.636 57.636 57.742 -0.106 19311 4773 1 7 . 1 1 44 44 SER CB C 44 63.032 63.032 63.761 -0.729 19311 4774 1 7 . 1 1 44 44 SER H H 44 8.436 8.436 8.305 0.131 19311 4775 1 7 . 1 1 45 45 LEU N N 45 127.441 127.441 125.767 1.674 19311 4776 1 7 . 1 1 45 45 LEU C C 45 178.103 178.103 177.438 0.665 19311 4777 1 7 . 1 1 45 45 LEU CA C 45 52.534 52.534 54.663 -2.129 19311 4778 1 7 . 1 1 45 45 LEU CB C 45 42.737 42.737 42.725 0.012 19311 4779 1 7 . 1 1 45 45 LEU H H 45 9.947 9.947 8.297 1.650 19311 4780 1 7 . 1 1 46 46 THR N N 46 114.571 114.571 115.489 -0.918 19311 4781 1 7 . 1 1 46 46 THR C C 46 175.217 175.217 175.395 -0.178 19311 4782 1 7 . 1 1 46 46 THR CA C 46 60.441 60.441 60.467 -0.026 19311 4783 1 7 . 1 1 46 46 THR CB C 46 71.156 71.156 70.623 0.534 19311 4784 1 7 . 1 1 46 46 THR H H 46 9.328 9.328 8.933 0.395 19311 4785 1 7 . 1 1 47 47 LYS N N 47 120.404 120.404 121.125 -0.721 19311 4786 1 7 . 1 1 47 47 LYS C C 47 179.434 179.434 178.545 0.889 19311 4787 1 7 . 1 1 47 47 LYS CA C 47 59.340 59.340 60.291 -0.951 19311 4788 1 7 . 1 1 47 47 LYS CB C 47 30.960 30.960 31.933 -0.973 19311 4789 1 7 . 1 1 47 47 LYS H H 47 8.690 8.690 8.643 0.047 19311 4790 1 7 . 1 1 48 48 GLN N N 48 119.487 119.487 117.448 2.039 19311 4791 1 7 . 1 1 48 48 GLN C C 48 178.691 178.691 178.403 0.288 19311 4792 1 7 . 1 1 48 48 GLN CA C 48 58.356 58.356 59.126 -0.770 19311 4793 1 7 . 1 1 48 48 GLN CB C 48 27.365 27.365 28.378 -1.012 19311 4794 1 7 . 1 1 48 48 GLN H H 48 8.082 8.082 8.465 -0.383 19311 4795 1 7 . 1 1 49 49 ASP N N 49 122.541 122.541 121.008 1.533 19311 4796 1 7 . 1 1 49 49 ASP C C 49 175.759 175.759 178.816 -3.057 19311 4797 1 7 . 1 1 49 49 ASP CA C 49 57.516 57.516 56.899 0.617 19311 4798 1 7 . 1 1 49 49 ASP CB C 49 41.147 41.147 40.501 0.646 19311 4799 1 7 . 1 1 49 49 ASP H H 49 7.743 7.743 7.862 -0.119 19311 4800 1 7 . 1 1 50 50 LEU N N 50 113.803 113.803 119.335 -5.532 19311 4801 1 7 . 1 1 50 50 LEU C C 50 178.243 178.243 179.049 -0.806 19311 4802 1 7 . 1 1 50 50 LEU CA C 50 56.063 56.063 57.246 -1.183 19311 4803 1 7 . 1 1 50 50 LEU CB C 50 41.162 41.162 42.017 -0.855 19311 4804 1 7 . 1 1 50 50 LEU H H 50 7.307 7.307 8.106 -0.799 19311 4805 1 7 . 1 1 51 51 ALA N N 51 120.417 120.417 121.240 -0.823 19311 4806 1 7 . 1 1 51 51 ALA C C 51 178.660 178.660 178.245 0.415 19311 4807 1 7 . 1 1 51 51 ALA CA C 51 53.718 53.718 53.917 -0.199 19311 4808 1 7 . 1 1 51 51 ALA CB C 51 18.193 18.193 19.708 -1.515 19311 4809 1 7 . 1 1 51 51 ALA H H 51 7.677 7.677 7.810 -0.133 19311 4810 1 7 . 1 1 52 52 LEU N N 52 116.642 116.642 117.877 -1.235 19311 4811 1 7 . 1 1 52 52 LEU CA C 52 51.307 51.307 52.525 -1.218 19311 4812 1 7 . 1 1 52 52 LEU CB C 52 42.099 42.099 42.294 -0.195 19311 4813 1 7 . 1 1 52 52 LEU H H 52 6.992 6.992 7.978 -0.986 19311 4814 1 7 . 1 1 53 53 PRO C C 53 177.594 177.594 178.050 -0.456 19311 4815 1 7 . 1 1 53 53 PRO CA C 53 65.466 65.466 65.126 0.341 19311 4816 1 7 . 1 1 53 53 PRO CB C 53 31.761 31.761 32.172 -0.411 19311 4817 1 7 . 1 1 54 54 HIS N N 54 112.752 112.752 111.587 1.165 19311 4818 1 7 . 1 1 54 54 HIS C C 54 175.187 175.187 174.596 0.591 19311 4819 1 7 . 1 1 54 54 HIS CA C 54 57.695 57.695 57.231 0.464 19311 4820 1 7 . 1 1 54 54 HIS CB C 54 28.716 28.716 28.113 0.603 19311 4821 1 7 . 1 1 54 54 HIS H H 54 8.274 8.274 8.718 -0.444 19311 4822 1 7 . 1 1 55 55 MET N N 55 116.326 116.326 118.497 -2.171 19311 4823 1 7 . 1 1 55 55 MET C C 55 175.522 175.522 175.967 -0.445 19311 4824 1 7 . 1 1 55 55 MET CA C 55 53.185 53.185 54.407 -1.222 19311 4825 1 7 . 1 1 55 55 MET CB C 55 32.240 32.240 32.793 -0.553 19311 4826 1 7 . 1 1 55 55 MET H H 55 7.254 7.254 7.146 0.108 19311 4827 1 7 . 1 1 56 56 SER N N 56 116.685 116.685 117.423 -0.738 19311 4828 1 7 . 1 1 56 56 SER CA C 56 54.269 54.269 56.097 -1.828 19311 4829 1 7 . 1 1 56 56 SER CB C 56 63.227 63.227 64.279 -1.052 19311 4830 1 7 . 1 1 56 56 SER H H 56 7.038 7.038 7.479 -0.441 19311 4831 1 7 . 1 1 57 57 PRO C C 57 178.714 178.714 178.424 0.290 19311 4832 1 7 . 1 1 57 57 PRO CA C 57 64.333 64.333 65.265 -0.932 19311 4833 1 7 . 1 1 57 57 PRO CB C 57 31.044 31.044 31.928 -0.884 19311 4834 1 7 . 1 1 58 58 THR N N 58 115.440 115.440 110.898 4.542 19311 4835 1 7 . 1 1 58 58 THR C C 58 175.811 175.811 175.651 0.160 19311 4836 1 7 . 1 1 58 58 THR CA C 58 65.411 65.411 66.001 -0.590 19311 4837 1 7 . 1 1 58 58 THR CB C 58 68.208 68.208 68.587 -0.379 19311 4838 1 7 . 1 1 58 58 THR H H 58 7.560 7.560 8.348 -0.788 19311 4839 1 7 . 1 1 59 59 ILE N N 59 122.823 122.823 115.186 7.637 19311 4840 1 7 . 1 1 59 59 ILE C C 59 176.672 176.672 176.735 -0.063 19311 4841 1 7 . 1 1 59 59 ILE CA C 59 64.230 64.230 61.613 2.617 19311 4842 1 7 . 1 1 59 59 ILE CB C 59 37.283 37.283 38.340 -1.057 19311 4843 1 7 . 1 1 59 59 ILE H H 59 7.182 7.182 7.395 -0.213 19311 4844 1 7 . 1 1 60 60 LEU N N 60 113.853 113.853 122.539 -8.686 19311 4845 1 7 . 1 1 60 60 LEU C C 60 179.288 179.288 177.723 1.565 19311 4846 1 7 . 1 1 60 60 LEU CA C 60 56.589 56.589 57.430 -0.841 19311 4847 1 7 . 1 1 60 60 LEU CB C 60 40.734 40.734 42.315 -1.581 19311 4848 1 7 . 1 1 60 60 LEU H H 60 7.894 7.894 8.187 -0.293 19311 4849 1 7 . 1 1 61 61 THR N N 61 107.267 107.267 109.545 -2.278 19311 4850 1 7 . 1 1 61 61 THR C C 61 173.987 173.987 174.634 -0.647 19311 4851 1 7 . 1 1 61 61 THR CA C 61 61.516 61.516 61.785 -0.269 19311 4852 1 7 . 1 1 61 61 THR CB C 61 69.919 69.919 68.727 1.192 19311 4853 1 7 . 1 1 61 61 THR H H 61 7.427 7.427 7.866 -0.439 19311 4854 1 7 . 1 1 62 62 ASN N N 62 121.377 121.377 120.892 0.485 19311 4855 1 7 . 1 1 62 62 ASN CA C 62 49.977 49.977 51.112 -1.135 19311 4856 1 7 . 1 1 62 62 ASN CB C 62 39.885 39.885 41.225 -1.340 19311 4857 1 7 . 1 1 62 62 ASN H H 62 7.368 7.368 7.540 -0.172 19311 4858 1 7 . 1 1 63 63 PRO C C 63 176.868 176.868 178.272 -1.404 19311 4859 1 7 . 1 1 63 63 PRO CA C 63 64.130 64.130 65.481 -1.351 19311 4860 1 7 . 1 1 63 63 PRO CB C 63 32.275 32.275 32.139 0.136 19311 4861 1 7 . 1 1 64 64 CYS N N 64 113.208 113.208 114.755 -1.547 19311 4862 1 7 . 1 1 64 64 CYS C C 64 170.205 170.205 175.667 -5.462 19311 4863 1 7 . 1 1 64 64 CYS CA C 64 56.943 56.943 61.450 -4.506 19311 4864 1 7 . 1 1 64 64 CYS CB C 64 26.242 26.242 27.226 -0.984 19311 4865 1 7 . 1 1 64 64 CYS H H 64 7.072 7.072 8.151 -1.079 19311 4866 1 7 . 1 1 65 65 HIS N N 65 108.987 108.987 115.467 -6.480 19311 4867 1 7 . 1 1 65 65 HIS C C 65 174.303 174.303 173.882 0.421 19311 4868 1 7 . 1 1 65 65 HIS CA C 65 56.141 56.141 58.667 -2.526 19311 4869 1 7 . 1 1 65 65 HIS CB C 65 28.565 28.565 30.418 -1.853 19311 4870 1 7 . 1 1 65 65 HIS H H 65 6.651 6.651 7.604 -0.953 19311 4871 1 7 . 1 1 66 66 PHE N N 66 116.823 116.823 118.835 -2.012 19311 4872 1 7 . 1 1 66 66 PHE C C 66 174.308 174.308 174.723 -0.415 19311 4873 1 7 . 1 1 66 66 PHE CA C 66 56.990 56.990 58.290 -1.300 19311 4874 1 7 . 1 1 66 66 PHE CB C 66 41.535 41.535 40.168 1.367 19311 4875 1 7 . 1 1 66 66 PHE H H 66 7.548 7.548 7.364 0.184 19311 4876 1 7 . 1 1 67 67 ALA N N 67 119.242 119.242 123.551 -4.309 19311 4877 1 7 . 1 1 67 67 ALA C C 67 175.495 175.495 174.786 0.709 19311 4878 1 7 . 1 1 67 67 ALA CA C 67 50.842 50.842 51.033 -0.191 19311 4879 1 7 . 1 1 67 67 ALA CB C 67 24.144 24.144 23.003 1.141 19311 4880 1 7 . 1 1 67 67 ALA H H 67 8.646 8.646 9.077 -0.431 19311 4881 1 7 . 1 1 68 68 LYS N N 68 118.338 118.338 121.079 -2.741 19311 4882 1 7 . 1 1 68 68 LYS C C 68 176.011 176.011 174.540 1.471 19311 4883 1 7 . 1 1 68 68 LYS CA C 68 54.557 54.557 55.619 -1.062 19311 4884 1 7 . 1 1 68 68 LYS CB C 68 34.575 34.575 36.056 -1.481 19311 4885 1 7 . 1 1 68 68 LYS H H 68 8.373 8.373 8.712 -0.339 19311 4886 1 7 . 1 1 69 69 ILE N N 69 126.321 126.321 127.073 -0.752 19311 4887 1 7 . 1 1 69 69 ILE C C 69 176.711 176.711 176.358 0.353 19311 4888 1 7 . 1 1 69 69 ILE CA C 69 61.581 61.581 61.563 0.018 19311 4889 1 7 . 1 1 69 69 ILE CB C 69 37.161 37.161 38.050 -0.889 19311 4890 1 7 . 1 1 69 69 ILE H H 69 9.660 9.660 8.901 0.759 19311 4891 1 7 . 1 1 70 70 THR N N 70 118.154 118.154 118.949 -0.795 19311 4892 1 7 . 1 1 70 70 THR C C 70 175.076 175.076 174.808 0.268 19311 4893 1 7 . 1 1 70 70 THR CA C 70 60.883 60.883 62.070 -1.187 19311 4894 1 7 . 1 1 70 70 THR CB C 70 68.643 68.643 70.248 -1.605 19311 4895 1 7 . 1 1 70 70 THR H H 70 8.785 8.785 8.757 0.028 19311 4896 1 7 . 1 1 71 71 LYS N N 71 122.877 122.877 120.299 2.578 19311 4897 1 7 . 1 1 71 71 LYS C C 71 173.355 173.355 173.800 -0.445 19311 4898 1 7 . 1 1 71 71 LYS CA C 71 56.459 56.459 56.090 0.369 19311 4899 1 7 . 1 1 71 71 LYS CB C 71 34.142 34.142 35.164 -1.022 19311 4900 1 7 . 1 1 71 71 LYS H H 71 7.088 7.088 7.217 -0.129 19311 4901 1 7 . 1 1 72 72 PHE N N 72 122.143 122.143 122.355 -0.212 19311 4902 1 7 . 1 1 72 72 PHE C C 72 175.071 175.071 175.739 -0.668 19311 4903 1 7 . 1 1 72 72 PHE CA C 72 57.980 57.980 58.090 -0.110 19311 4904 1 7 . 1 1 72 72 PHE CB C 72 39.359 39.359 40.593 -1.234 19311 4905 1 7 . 1 1 72 72 PHE H H 72 8.530 8.530 8.726 -0.196 19311 4906 1 7 . 1 1 73 73 TYR N N 73 123.208 123.208 120.879 2.329 19311 4907 1 7 . 1 1 73 73 TYR C C 73 176.295 176.295 174.988 1.307 19311 4908 1 7 . 1 1 73 73 TYR CA C 73 60.464 60.464 59.438 1.026 19311 4909 1 7 . 1 1 73 73 TYR CB C 73 39.634 39.634 40.344 -0.710 19311 4910 1 7 . 1 1 73 73 TYR H H 73 9.437 9.437 9.031 0.406 19311 4911 1 7 . 1 1 74 74 ASN N N 74 113.786 113.786 118.898 -5.112 19311 4912 1 7 . 1 1 74 74 ASN C C 74 172.652 172.652 173.203 -0.551 19311 4913 1 7 . 1 1 74 74 ASN CA C 74 52.675 52.675 53.040 -0.365 19311 4914 1 7 . 1 1 74 74 ASN CB C 74 39.801 39.801 39.894 -0.093 19311 4915 1 7 . 1 1 74 74 ASN H H 74 7.993 7.993 8.161 -0.168 19311 4916 1 7 . 1 1 75 75 VAL N N 75 124.913 124.913 125.599 -0.686 19311 4917 1 7 . 1 1 75 75 VAL C C 75 175.179 175.179 175.616 -0.437 19311 4918 1 7 . 1 1 75 75 VAL CA C 75 61.422 61.422 62.372 -0.950 19311 4919 1 7 . 1 1 75 75 VAL CB C 75 33.185 33.185 32.689 0.496 19311 4920 1 7 . 1 1 75 75 VAL H H 75 7.721 7.721 8.599 -0.878 19311 4921 1 7 . 1 1 76 76 CYS N N 76 125.698 125.698 126.331 -0.633 19311 4922 1 7 . 1 1 76 76 CYS CA C 76 57.694 57.694 56.527 1.167 19311 4923 1 7 . 1 1 76 76 CYS CB C 76 27.993 27.993 31.212 -3.220 19311 4924 1 7 . 1 1 76 76 CYS H H 76 8.677 8.677 8.908 -0.231 19311 4925 1 7 . 1 1 78 78 TYR N N 78 109.730 109.730 118.502 -8.772 19311 4926 1 7 . 1 1 78 78 TYR C C 78 173.592 173.592 174.337 -0.745 19311 4927 1 7 . 1 1 78 78 TYR CA C 78 60.078 60.078 59.670 0.408 19311 4928 1 7 . 1 1 78 78 TYR CB C 78 35.627 35.627 35.749 -0.122 19311 4929 1 7 . 1 1 78 78 TYR H H 78 8.215 8.215 7.864 0.351 19311 4930 1 7 . 1 1 79 79 LYS N N 79 119.181 119.181 120.503 -1.322 19311 4931 1 7 . 1 1 79 79 LYS C C 79 175.198 175.198 175.315 -0.117 19311 4932 1 7 . 1 1 79 79 LYS CA C 79 55.243 55.243 55.346 -0.103 19311 4933 1 7 . 1 1 79 79 LYS CB C 79 33.522 33.522 34.618 -1.097 19311 4934 1 7 . 1 1 79 79 LYS H H 79 7.695 7.695 7.571 0.124 19311 4935 1 7 . 1 1 80 80 VAL N N 80 118.700 118.700 124.745 -6.045 19311 4936 1 7 . 1 1 80 80 VAL C C 80 172.953 172.953 174.613 -1.660 19311 4937 1 7 . 1 1 80 80 VAL CA C 80 61.093 61.093 60.810 0.283 19311 4938 1 7 . 1 1 80 80 VAL CB C 80 34.048 34.048 34.777 -0.729 19311 4939 1 7 . 1 1 80 80 VAL H H 80 7.478 7.478 8.212 -0.734 19311 4940 1 7 . 1 1 81 81 TYR N N 81 128.065 128.065 127.040 1.025 19311 4941 1 7 . 1 1 81 81 TYR C C 81 175.948 175.948 174.762 1.186 19311 4942 1 7 . 1 1 81 81 TYR CA C 81 57.836 57.836 56.626 1.210 19311 4943 1 7 . 1 1 81 81 TYR CB C 81 37.594 37.594 39.445 -1.851 19311 4944 1 7 . 1 1 81 81 TYR H H 81 8.851 8.851 9.286 -0.435 19311 4945 1 7 . 1 1 82 82 ALA N N 82 130.227 130.227 126.503 3.724 19311 4946 1 7 . 1 1 82 82 ALA C C 82 174.291 174.291 175.235 -0.944 19311 4947 1 7 . 1 1 82 82 ALA CA C 82 51.702 51.702 50.795 0.907 19311 4948 1 7 . 1 1 82 82 ALA CB C 82 24.004 24.004 22.869 1.135 19311 4949 1 7 . 1 1 82 82 ALA H H 82 9.673 9.673 9.226 0.447 19311 4950 1 7 . 1 1 83 83 SER N N 83 112.455 112.455 113.550 -1.095 19311 4951 1 7 . 1 1 83 83 SER C C 83 175.055 175.055 173.562 1.493 19311 4952 1 7 . 1 1 83 83 SER CA C 83 56.656 56.656 56.344 0.312 19311 4953 1 7 . 1 1 83 83 SER CB C 83 65.405 65.405 65.132 0.273 19311 4954 1 7 . 1 1 83 83 SER H H 83 8.975 8.975 8.441 0.534 19311 4955 1 7 . 1 1 84 84 ILE N N 84 115.288 115.288 120.260 -4.972 19311 4956 1 7 . 1 1 84 84 ILE C C 84 173.569 173.569 174.003 -0.434 19311 4957 1 7 . 1 1 84 84 ILE CA C 84 57.822 57.822 58.569 -0.747 19311 4958 1 7 . 1 1 84 84 ILE CB C 84 41.310 41.310 42.577 -1.267 19311 4959 1 7 . 1 1 84 84 ILE H H 84 8.657 8.657 9.069 -0.412 19311 4960 1 7 . 1 1 85 85 ARG N N 85 116.138 116.138 117.715 -1.577 19311 4961 1 7 . 1 1 85 85 ARG C C 85 174.594 174.594 174.249 0.345 19311 4962 1 7 . 1 1 85 85 ARG CA C 85 52.721 52.721 55.412 -2.691 19311 4963 1 7 . 1 1 85 85 ARG CB C 85 33.188 33.188 33.712 -0.524 19311 4964 1 7 . 1 1 85 85 ARG H H 85 9.306 9.306 7.918 1.388 19311 4965 1 7 . 1 1 86 86 ASP N N 86 121.622 121.622 119.809 1.813 19311 4966 1 7 . 1 1 86 86 ASP C C 86 175.804 175.804 176.386 -0.582 19311 4967 1 7 . 1 1 86 86 ASP CA C 86 51.666 51.666 52.532 -0.867 19311 4968 1 7 . 1 1 86 86 ASP CB C 86 38.969 38.969 41.568 -2.599 19311 4969 1 7 . 1 1 86 86 ASP H H 86 7.506 7.506 8.685 -1.179 19311 4970 1 7 . 1 1 87 87 SER N N 87 109.487 109.487 114.953 -5.466 19311 4971 1 7 . 1 1 87 87 SER C C 87 174.343 174.343 174.424 -0.081 19311 4972 1 7 . 1 1 87 87 SER CA C 87 59.775 59.775 60.240 -0.465 19311 4973 1 7 . 1 1 87 87 SER CB C 87 62.824 62.824 63.756 -0.932 19311 4974 1 7 . 1 1 87 87 SER H H 87 6.452 6.452 8.413 -1.961 19311 4975 1 7 . 1 1 88 88 SER N N 88 117.714 117.714 115.307 2.407 19311 4976 1 7 . 1 1 88 88 SER C C 88 172.322 172.322 173.659 -1.337 19311 4977 1 7 . 1 1 88 88 SER CA C 88 60.625 60.625 58.389 2.236 19311 4978 1 7 . 1 1 88 88 SER CB C 88 66.392 66.392 64.167 2.225 19311 4979 1 7 . 1 1 88 88 SER H H 88 8.852 8.852 8.280 0.572 19311 4980 1 7 . 1 1 89 89 HIS N N 89 121.987 121.987 118.362 3.625 19311 4981 1 7 . 1 1 89 89 HIS C C 89 173.253 173.253 173.932 -0.679 19311 4982 1 7 . 1 1 89 89 HIS CA C 89 55.530 55.530 55.840 -0.310 19311 4983 1 7 . 1 1 89 89 HIS CB C 89 36.622 36.622 31.298 5.324 19311 4984 1 7 . 1 1 89 89 HIS H H 89 9.568 9.568 8.355 1.213 19311 4985 1 7 . 1 1 90 90 GLN N N 90 112.816 112.816 116.669 -3.853 19311 4986 1 7 . 1 1 90 90 GLN C C 90 175.640 175.640 173.795 1.845 19311 4987 1 7 . 1 1 90 90 GLN CA C 90 53.060 53.060 54.638 -1.577 19311 4988 1 7 . 1 1 90 90 GLN CB C 90 32.977 32.977 32.803 0.174 19311 4989 1 7 . 1 1 90 90 GLN H H 90 7.942 7.942 8.455 -0.513 19311 4990 1 7 . 1 1 91 91 ILE N N 91 119.354 119.354 120.208 -0.854 19311 4991 1 7 . 1 1 91 91 ILE C C 91 172.309 172.309 173.260 -0.951 19311 4992 1 7 . 1 1 91 91 ILE CA C 91 61.019 61.019 60.380 0.639 19311 4993 1 7 . 1 1 91 91 ILE CB C 91 41.077 41.077 42.118 -1.041 19311 4994 1 7 . 1 1 91 91 ILE H H 91 8.937 8.937 8.844 0.093 19311 4995 1 7 . 1 1 92 92 LEU N N 92 125.414 125.414 126.143 -0.729 19311 4996 1 7 . 1 1 92 92 LEU C C 92 175.848 175.848 175.478 0.370 19311 4997 1 7 . 1 1 92 92 LEU CA C 92 55.084 55.084 55.252 -0.168 19311 4998 1 7 . 1 1 92 92 LEU CB C 92 40.637 40.637 42.555 -1.918 19311 4999 1 7 . 1 1 92 92 LEU H H 92 7.192 7.192 8.523 -1.331 19311 5000 1 7 . 1 1 93 93 VAL N N 93 116.666 116.666 119.711 -3.045 19311 5001 1 7 . 1 1 93 93 VAL C C 93 173.013 173.013 173.437 -0.424 19311 5002 1 7 . 1 1 93 93 VAL CA C 93 58.637 58.637 59.421 -0.784 19311 5003 1 7 . 1 1 93 93 VAL CB C 93 35.844 35.844 35.411 0.433 19311 5004 1 7 . 1 1 93 93 VAL H H 93 9.225 9.225 8.987 0.238 19311 5005 1 7 . 1 1 94 94 GLU N N 94 124.248 124.248 127.896 -3.648 19311 5006 1 7 . 1 1 94 94 GLU CA C 94 53.418 53.418 53.756 -0.338 19311 5007 1 7 . 1 1 94 94 GLU CB C 94 32.133 32.133 33.055 -0.922 19311 5008 1 7 . 1 1 94 94 GLU H H 94 8.549 8.549 8.783 -0.234 19311 5009 1 7 . 1 1 95 95 PHE C C 95 175.472 175.472 175.983 -0.511 19311 5010 1 7 . 1 1 95 95 PHE CA C 95 56.710 56.710 56.952 -0.242 19311 5011 1 7 . 1 1 95 95 PHE CB C 95 38.774 38.774 39.621 -0.847 19311 5012 1 7 . 1 1 96 96 SER N N 96 119.651 119.651 120.296 -0.645 19311 5013 1 7 . 1 1 96 96 SER C C 96 173.024 173.024 175.508 -2.484 19311 5014 1 7 . 1 1 96 96 SER CA C 96 57.233 57.233 57.198 0.035 19311 5015 1 7 . 1 1 96 96 SER CB C 96 65.249 65.249 65.696 -0.447 19311 5016 1 7 . 1 1 96 96 SER H H 96 8.203 8.203 8.530 -0.327 19311 5017 1 7 . 1 1 97 97 GLN N N 97 120.894 120.894 123.540 -2.646 19311 5018 1 7 . 1 1 97 97 GLN C C 97 179.424 179.424 177.813 1.611 19311 5019 1 7 . 1 1 97 97 GLN CA C 97 58.799 58.799 60.051 -1.252 19311 5020 1 7 . 1 1 97 97 GLN CB C 97 26.863 26.863 28.417 -1.554 19311 5021 1 7 . 1 1 97 97 GLN H H 97 8.949 8.949 8.911 0.038 19311 5022 1 7 . 1 1 98 98 GLU N N 98 121.467 121.467 119.197 2.270 19311 5023 1 7 . 1 1 98 98 GLU C C 98 177.401 177.401 178.153 -0.752 19311 5024 1 7 . 1 1 98 98 GLU CA C 98 59.056 59.056 59.455 -0.399 19311 5025 1 7 . 1 1 98 98 GLU CB C 98 28.654 28.654 29.383 -0.729 19311 5026 1 7 . 1 1 98 98 GLU H H 98 8.759 8.759 8.435 0.324 19311 5027 1 7 . 1 1 99 99 CYS N N 99 122.363 122.363 119.437 2.926 19311 5028 1 7 . 1 1 99 99 CYS C C 99 178.667 178.667 177.418 1.249 19311 5029 1 7 . 1 1 99 99 CYS CA C 99 61.683 61.683 63.099 -1.416 19311 5030 1 7 . 1 1 99 99 CYS CB C 99 27.002 27.002 26.812 0.190 19311 5031 1 7 . 1 1 99 99 CYS H H 99 8.194 8.194 7.893 0.301 19311 5032 1 7 . 1 1 100 100 VAL N N 100 120.067 120.067 119.521 0.546 19311 5033 1 7 . 1 1 100 100 VAL C C 100 178.191 178.191 178.061 0.130 19311 5034 1 7 . 1 1 100 100 VAL CA C 100 66.503 66.503 66.831 -0.328 19311 5035 1 7 . 1 1 100 100 VAL CB C 100 31.299 31.299 31.487 -0.188 19311 5036 1 7 . 1 1 100 100 VAL H H 100 8.584 8.584 8.316 0.268 19311 5037 1 7 . 1 1 101 101 SER N N 101 117.155 117.155 116.216 0.939 19311 5038 1 7 . 1 1 101 101 SER C C 101 177.930 177.930 176.765 1.165 19311 5039 1 7 . 1 1 101 101 SER CA C 101 61.182 61.182 61.569 -0.387 19311 5040 1 7 . 1 1 101 101 SER CB C 101 62.112 62.112 62.769 -0.657 19311 5041 1 7 . 1 1 101 101 SER H H 101 8.685 8.685 8.535 0.150 19311 5042 1 7 . 1 1 102 102 ASN N N 102 120.931 120.931 120.355 0.576 19311 5043 1 7 . 1 1 102 102 ASN C C 102 178.047 178.047 177.597 0.450 19311 5044 1 7 . 1 1 102 102 ASN CA C 102 56.108 56.108 55.894 0.214 19311 5045 1 7 . 1 1 102 102 ASN CB C 102 37.456 37.456 38.091 -0.635 19311 5046 1 7 . 1 1 102 102 ASN H H 102 8.638 8.638 8.110 0.528 19311 5047 1 7 . 1 1 103 103 PHE N N 103 124.907 124.907 122.496 2.411 19311 5048 1 7 . 1 1 103 103 PHE C C 103 177.886 177.886 177.650 0.236 19311 5049 1 7 . 1 1 103 103 PHE CA C 103 61.734 61.734 61.788 -0.054 19311 5050 1 7 . 1 1 103 103 PHE CB C 103 38.976 38.976 39.364 -0.388 19311 5051 1 7 . 1 1 103 103 PHE H H 103 8.495 8.495 8.933 -0.438 19311 5052 1 7 . 1 1 104 104 GLU N N 104 120.930 120.930 120.529 0.401 19311 5053 1 7 . 1 1 104 104 GLU C C 104 180.036 180.036 178.887 1.149 19311 5054 1 7 . 1 1 104 104 GLU CA C 104 59.070 59.070 59.092 -0.022 19311 5055 1 7 . 1 1 104 104 GLU CB C 104 28.323 28.323 29.808 -1.486 19311 5056 1 7 . 1 1 104 104 GLU H H 104 8.614 8.614 8.561 0.053 19311 5057 1 7 . 1 1 105 105 ARG N N 105 119.201 119.201 118.848 0.353 19311 5058 1 7 . 1 1 105 105 ARG C C 105 178.097 178.097 178.355 -0.258 19311 5059 1 7 . 1 1 105 105 ARG CA C 105 58.179 58.179 59.185 -1.006 19311 5060 1 7 . 1 1 105 105 ARG CB C 105 29.305 29.305 30.123 -0.818 19311 5061 1 7 . 1 1 105 105 ARG H H 105 7.976 7.976 8.059 -0.083 19311 5062 1 7 . 1 1 106 106 THR N N 106 114.725 114.725 113.151 1.574 19311 5063 1 7 . 1 1 106 106 THR C C 106 175.323 175.323 175.769 -0.446 19311 5064 1 7 . 1 1 106 106 THR CA C 106 65.164 65.164 65.487 -0.323 19311 5065 1 7 . 1 1 106 106 THR CB C 106 68.964 68.964 68.946 0.018 19311 5066 1 7 . 1 1 106 106 THR H H 106 7.744 7.744 7.969 -0.225 19311 5067 1 7 . 1 1 107 107 HIS N N 107 116.911 116.911 116.211 0.700 19311 5068 1 7 . 1 1 107 107 HIS C C 107 174.769 174.769 174.407 0.362 19311 5069 1 7 . 1 1 107 107 HIS CA C 107 56.636 56.636 55.633 1.003 19311 5070 1 7 . 1 1 107 107 HIS CB C 107 29.833 29.833 30.120 -0.287 19311 5071 1 7 . 1 1 107 107 HIS H H 107 8.033 8.033 7.723 0.310 19311 5072 1 7 . 1 1 108 108 ASN N N 108 118.204 118.204 115.790 2.414 19311 5073 1 7 . 1 1 108 108 ASN C C 108 173.328 173.328 173.848 -0.520 19311 5074 1 7 . 1 1 108 108 ASN CA C 108 53.859 53.859 54.772 -0.913 19311 5075 1 7 . 1 1 108 108 ASN CB C 108 36.623 36.623 36.496 0.127 19311 5076 1 7 . 1 1 108 108 ASN H H 108 8.135 8.135 8.407 -0.272 19311 5077 1 7 . 1 1 109 109 CYS N N 109 111.643 111.643 112.220 -0.577 19311 5078 1 7 . 1 1 109 109 CYS C C 109 171.934 171.934 173.876 -1.942 19311 5079 1 7 . 1 1 109 109 CYS CA C 109 55.233 55.233 56.833 -1.600 19311 5080 1 7 . 1 1 109 109 CYS CB C 109 29.518 29.518 30.254 -0.736 19311 5081 1 7 . 1 1 109 109 CYS H H 109 7.493 7.493 7.350 0.143 19311 5082 1 7 . 1 1 110 110 ARG N N 110 117.680 117.680 121.555 -3.875 19311 5083 1 7 . 1 1 110 110 ARG C C 110 179.018 179.018 178.003 1.015 19311 5084 1 7 . 1 1 110 110 ARG CA C 110 54.914 54.914 55.784 -0.870 19311 5085 1 7 . 1 1 110 110 ARG CB C 110 30.252 30.252 31.172 -0.920 19311 5086 1 7 . 1 1 110 110 ARG H H 110 8.271 8.271 8.612 -0.341 19311 5087 1 7 . 1 1 111 111 ILE N N 111 124.684 124.684 120.065 4.619 19311 5088 1 7 . 1 1 111 111 ILE CA C 111 63.115 63.115 63.139 -0.024 19311 5089 1 7 . 1 1 111 111 ILE CB C 111 37.530 37.530 37.307 0.223 19311 5090 1 7 . 1 1 111 111 ILE H H 111 9.551 9.551 8.696 0.855 19311 5091 1 7 . 1 1 112 112 THR N N 112 106.975 106.975 108.012 -1.037 19311 5092 1 7 . 1 1 112 112 THR C C 112 175.160 175.160 174.579 0.581 19311 5093 1 7 . 1 1 112 112 THR CA C 112 60.029 60.029 62.790 -2.761 19311 5094 1 7 . 1 1 112 112 THR CB C 112 67.949 67.949 68.380 -0.432 19311 5095 1 7 . 1 1 112 112 THR H H 112 6.484 6.484 7.674 -1.190 19311 5096 1 7 . 1 1 113 113 SER N N 113 118.281 118.281 116.587 1.694 19311 5097 1 7 . 1 1 113 113 SER C C 113 173.813 173.813 173.780 0.033 19311 5098 1 7 . 1 1 113 113 SER CA C 113 58.470 58.470 57.377 1.093 19311 5099 1 7 . 1 1 113 113 SER CB C 113 62.730 62.730 63.754 -1.024 19311 5100 1 7 . 1 1 113 113 SER H H 113 7.446 7.446 7.719 -0.273 19311 5101 1 7 . 1 1 114 114 GLU N N 114 121.273 121.273 121.462 -0.189 19311 5102 1 7 . 1 1 114 114 GLU CA C 114 56.911 56.911 57.419 -0.508 19311 5103 1 7 . 1 1 114 114 GLU CB C 114 27.463 27.463 27.953 -0.490 19311 5104 1 7 . 1 1 114 114 GLU H H 114 8.350 8.350 9.097 -0.747 19311 5105 1 7 . 1 1 115 115 THR N N 115 109.184 109.184 105.536 3.648 19311 5106 1 7 . 1 1 115 115 THR C C 115 177.031 177.031 176.039 0.992 19311 5107 1 7 . 1 1 115 115 THR CA C 115 61.908 61.908 62.199 -0.291 19311 5108 1 7 . 1 1 115 115 THR CB C 115 69.072 69.072 70.148 -1.076 19311 5109 1 7 . 1 1 115 115 THR H H 115 7.689 7.689 8.312 -0.623 19311 5110 1 7 . 1 1 116 116 THR N N 116 115.339 115.339 119.075 -3.736 19311 5111 1 7 . 1 1 116 116 THR C C 116 175.023 175.023 174.610 0.413 19311 5112 1 7 . 1 1 116 116 THR CA C 116 63.834 63.834 67.111 -3.277 19311 5113 1 7 . 1 1 116 116 THR CB C 116 68.130 68.130 68.797 -0.668 19311 5114 1 7 . 1 1 116 116 THR H H 116 7.979 7.979 8.479 -0.500 19311 5115 1 7 . 1 1 117 117 ASN N N 117 118.558 118.558 117.012 1.546 19311 5116 1 7 . 1 1 117 117 ASN C C 117 174.413 174.413 173.864 0.549 19311 5117 1 7 . 1 1 117 117 ASN CA C 117 53.549 53.549 52.425 1.124 19311 5118 1 7 . 1 1 117 117 ASN CB C 117 37.548 37.548 38.048 -0.500 19311 5119 1 7 . 1 1 117 117 ASN H H 117 8.295 8.295 8.406 -0.111 19311 5120 1 7 . 1 1 118 118 CYS N N 118 116.611 116.611 117.732 -1.121 19311 5121 1 7 . 1 1 118 118 CYS C C 118 174.430 174.430 173.475 0.955 19311 5122 1 7 . 1 1 118 118 CYS CA C 118 58.206 58.206 57.420 0.786 19311 5123 1 7 . 1 1 118 118 CYS CB C 118 28.866 28.866 31.929 -3.063 19311 5124 1 7 . 1 1 118 118 CYS H H 118 7.548 7.548 7.789 -0.241 19311 5125 1 7 . 1 1 119 119 LEU N N 119 125.613 125.613 123.663 1.950 19311 5126 1 7 . 1 1 119 119 LEU C C 119 174.612 174.612 175.096 -0.484 19311 5127 1 7 . 1 1 119 119 LEU CA C 119 54.869 54.869 54.128 0.741 19311 5128 1 7 . 1 1 119 119 LEU CB C 119 42.394 42.394 45.712 -3.318 19311 5129 1 7 . 1 1 119 119 LEU H H 119 8.840 8.840 9.145 -0.305 19311 5130 1 7 . 1 1 120 120 MET N N 120 128.079 128.079 123.699 4.380 19311 5131 1 7 . 1 1 120 120 MET C C 120 174.384 174.384 174.463 -0.079 19311 5132 1 7 . 1 1 120 120 MET CA C 120 53.292 53.292 54.058 -0.766 19311 5133 1 7 . 1 1 120 120 MET H H 120 9.274 9.274 8.838 0.436 19311 5134 1 7 . 1 1 121 121 ILE N N 121 120.093 120.093 120.145 -0.052 19311 5135 1 7 . 1 1 121 121 ILE C C 121 176.479 176.479 175.263 1.216 19311 5136 1 7 . 1 1 121 121 ILE CA C 121 55.536 55.536 59.551 -4.016 19311 5137 1 7 . 1 1 121 121 ILE CB C 121 36.335 36.335 40.826 -4.491 19311 5138 1 7 . 1 1 121 121 ILE H H 121 8.527 8.527 8.915 -0.388 19311 5139 1 7 . 1 1 122 122 ILE N N 122 119.127 119.127 119.966 -0.839 19311 5140 1 7 . 1 1 122 122 ILE C C 122 174.904 174.904 174.556 0.348 19311 5141 1 7 . 1 1 122 122 ILE CA C 122 57.790 57.790 58.209 -0.419 19311 5142 1 7 . 1 1 122 122 ILE CB C 122 41.605 41.605 41.922 -0.318 19311 5143 1 7 . 1 1 122 122 ILE H H 122 8.913 8.913 9.025 -0.112 19311 5144 1 7 . 1 1 123 123 GLY N N 123 106.647 106.647 107.305 -0.658 19311 5145 1 7 . 1 1 123 123 GLY C C 123 170.571 170.571 172.334 -1.763 19311 5146 1 7 . 1 1 123 123 GLY CA C 123 43.698 43.698 45.156 -1.458 19311 5147 1 7 . 1 1 123 123 GLY H H 123 8.373 8.373 8.505 -0.132 19311 5148 1 7 . 1 1 124 124 ASP N N 124 119.021 119.021 118.809 0.212 19311 5149 1 7 . 1 1 124 124 ASP C C 124 174.481 174.481 173.981 0.500 19311 5150 1 7 . 1 1 124 124 ASP CA C 124 53.993 53.993 55.196 -1.203 19311 5151 1 7 . 1 1 124 124 ASP CB C 124 39.163 39.163 39.337 -0.174 19311 5152 1 7 . 1 1 124 124 ASP H H 124 7.712 7.712 8.183 -0.471 19311 5153 1 7 . 1 1 125 125 ALA N N 125 122.997 122.997 119.496 3.501 19311 5154 1 7 . 1 1 125 125 ALA C C 125 175.798 175.798 175.807 -0.009 19311 5155 1 7 . 1 1 125 125 ALA CA C 125 49.258 49.258 50.312 -1.054 19311 5156 1 7 . 1 1 125 125 ALA CB C 125 23.466 23.466 22.061 1.405 19311 5157 1 7 . 1 1 125 125 ALA H H 125 8.502 8.502 7.570 0.932 19311 5158 1 7 . 1 1 126 126 ASP N N 126 121.643 121.643 121.594 0.049 19311 5159 1 7 . 1 1 126 126 ASP C C 126 174.129 174.129 174.716 -0.587 19311 5160 1 7 . 1 1 126 126 ASP CA C 126 51.984 51.984 52.344 -0.360 19311 5161 1 7 . 1 1 126 126 ASP CB C 126 43.380 43.380 44.648 -1.268 19311 5162 1 7 . 1 1 126 126 ASP H H 126 8.656 8.656 8.977 -0.321 19311 5163 1 7 . 1 1 127 127 LEU N N 127 124.869 124.869 123.288 1.581 19311 5164 1 7 . 1 1 127 127 LEU C C 127 175.007 175.007 175.760 -0.753 19311 5165 1 7 . 1 1 127 127 LEU CA C 127 53.944 53.944 54.277 -0.333 19311 5166 1 7 . 1 1 127 127 LEU CB C 127 43.759 43.759 42.987 0.772 19311 5167 1 7 . 1 1 127 127 LEU H H 127 8.886 8.886 8.217 0.669 19311 5168 1 7 . 1 1 128 128 VAL N N 128 122.817 122.817 126.860 -4.043 19311 5169 1 7 . 1 1 128 128 VAL C C 128 173.242 173.242 173.552 -0.310 19311 5170 1 7 . 1 1 128 128 VAL CA C 128 58.875 58.875 60.289 -1.414 19311 5171 1 7 . 1 1 128 128 VAL CB C 128 34.062 34.062 35.878 -1.816 19311 5172 1 7 . 1 1 128 128 VAL H H 128 8.737 8.737 8.839 -0.102 19311 5173 1 7 . 1 1 129 129 TYR N N 129 120.375 120.375 125.834 -5.459 19311 5174 1 7 . 1 1 129 129 TYR C C 129 176.280 176.280 175.936 0.344 19311 5175 1 7 . 1 1 129 129 TYR CA C 129 57.265 57.265 57.404 -0.139 19311 5176 1 7 . 1 1 129 129 TYR CB C 129 38.931 38.931 39.698 -0.767 19311 5177 1 7 . 1 1 129 129 TYR H H 129 8.585 8.585 8.647 -0.062 19311 5178 1 7 . 1 1 130 130 VAL N N 130 121.466 121.466 117.736 3.730 19311 5179 1 7 . 1 1 130 130 VAL C C 130 174.139 174.139 174.474 -0.335 19311 5180 1 7 . 1 1 130 130 VAL CA C 130 59.324 59.324 58.744 0.580 19311 5181 1 7 . 1 1 130 130 VAL CB C 130 34.193 34.193 35.123 -0.930 19311 5182 1 7 . 1 1 130 130 VAL H H 130 8.851 8.851 8.669 0.182 19311 5183 1 7 . 1 1 131 131 THR N N 131 113.648 113.648 111.202 2.446 19311 5184 1 7 . 1 1 131 131 THR C C 131 175.861 175.861 175.743 0.118 19311 5185 1 7 . 1 1 131 131 THR CA C 131 59.748 59.748 59.852 -0.104 19311 5186 1 7 . 1 1 131 131 THR CB C 131 70.864 70.864 71.192 -0.328 19311 5187 1 7 . 1 1 131 131 THR H H 131 7.768 7.768 8.120 -0.352 19311 5188 1 7 . 1 1 132 132 ASN N N 132 119.407 119.407 120.762 -1.355 19311 5189 1 7 . 1 1 132 132 ASN CA C 132 56.643 56.643 56.742 -0.099 19311 5190 1 7 . 1 1 132 132 ASN CB C 132 38.269 38.269 38.394 -0.125 19311 5191 1 7 . 1 1 132 132 ASN H H 132 8.518 8.518 8.804 -0.286 19311 5192 1 7 . 1 1 133 133 SER C C 133 176.763 176.763 176.599 0.164 19311 5193 1 7 . 1 1 133 133 SER CA C 133 61.287 61.287 61.385 -0.097 19311 5194 1 7 . 1 1 134 134 ARG N N 134 124.193 124.193 122.625 1.568 19311 5195 1 7 . 1 1 134 134 ARG C C 134 178.393 178.393 178.920 -0.527 19311 5196 1 7 . 1 1 134 134 ARG CA C 134 57.034 57.034 58.868 -1.834 19311 5197 1 7 . 1 1 134 134 ARG CB C 134 29.051 29.051 30.409 -1.357 19311 5198 1 7 . 1 1 134 134 ARG H H 134 7.333 7.333 7.835 -0.502 19311 5199 1 7 . 1 1 135 135 ALA N N 135 124.165 124.165 123.382 0.783 19311 5200 1 7 . 1 1 135 135 ALA C C 135 180.063 180.063 179.997 0.066 19311 5201 1 7 . 1 1 135 135 ALA CA C 135 55.239 55.239 55.231 0.008 19311 5202 1 7 . 1 1 135 135 ALA CB C 135 16.063 16.063 18.115 -2.052 19311 5203 1 7 . 1 1 135 135 ALA H H 135 8.656 8.656 8.466 0.190 19311 5204 1 7 . 1 1 136 136 MET N N 136 117.770 117.770 116.652 1.118 19311 5205 1 7 . 1 1 136 136 MET C C 136 178.837 178.837 178.521 0.316 19311 5206 1 7 . 1 1 136 136 MET CA C 136 58.214 58.214 59.287 -1.073 19311 5207 1 7 . 1 1 136 136 MET CB C 136 31.493 31.493 32.992 -1.499 19311 5208 1 7 . 1 1 136 136 MET H H 136 8.211 8.211 8.520 -0.309 19311 5209 1 7 . 1 1 137 137 SER N N 137 114.607 114.607 114.516 0.091 19311 5210 1 7 . 1 1 137 137 SER C C 137 176.196 176.196 176.196 0.000 19311 5211 1 7 . 1 1 137 137 SER CA C 137 60.589 60.589 60.754 -0.165 19311 5212 1 7 . 1 1 137 137 SER CB C 137 62.236 62.236 63.140 -0.904 19311 5213 1 7 . 1 1 137 137 SER H H 137 8.021 8.021 8.160 -0.139 19311 5214 1 7 . 1 1 138 138 HIS N N 138 120.793 120.793 119.296 1.497 19311 5215 1 7 . 1 1 138 138 HIS C C 138 174.530 174.530 175.495 -0.965 19311 5216 1 7 . 1 1 138 138 HIS CA C 138 58.296 58.296 58.402 -0.106 19311 5217 1 7 . 1 1 138 138 HIS CB C 138 29.593 29.593 30.874 -1.281 19311 5218 1 7 . 1 1 138 138 HIS H H 138 8.462 8.462 8.065 0.397 19311 5219 1 7 . 1 1 139 139 PHE N N 139 114.046 114.046 116.196 -2.150 19311 5220 1 7 . 1 1 139 139 PHE C C 139 173.540 173.540 175.075 -1.535 19311 5221 1 7 . 1 1 139 139 PHE CA C 139 58.722 58.722 58.290 0.432 19311 5222 1 7 . 1 1 139 139 PHE CB C 139 38.583 38.583 39.833 -1.250 19311 5223 1 7 . 1 1 139 139 PHE H H 139 7.466 7.466 7.566 -0.100 19311 5224 1 7 . 1 1 140 140 LYS N N 140 110.734 110.734 116.639 -5.905 19311 5225 1 7 . 1 1 140 140 LYS C C 140 175.951 175.951 175.477 0.474 19311 5226 1 7 . 1 1 140 140 LYS CA C 140 56.106 56.106 56.933 -0.827 19311 5227 1 7 . 1 1 140 140 LYS CB C 140 27.887 27.887 29.941 -2.054 19311 5228 1 7 . 1 1 140 140 LYS H H 140 7.141 7.141 8.083 -0.942 19311 5229 1 7 . 1 1 141 141 ILE N N 141 114.716 114.716 118.188 -3.472 19311 5230 1 7 . 1 1 141 141 ILE C C 141 173.514 173.514 173.776 -0.262 19311 5231 1 7 . 1 1 141 141 ILE CA C 141 58.801 58.801 60.021 -1.220 19311 5232 1 7 . 1 1 141 141 ILE CB C 141 41.595 41.595 39.974 1.621 19311 5233 1 7 . 1 1 141 141 ILE H H 141 7.309 7.309 8.028 -0.719 19311 5234 1 7 . 1 1 142 142 SER N N 142 115.031 115.031 121.830 -6.799 19311 5235 1 7 . 1 1 142 142 SER C C 142 176.437 176.437 175.938 0.499 19311 5236 1 7 . 1 1 142 142 SER CA C 142 55.685 55.685 58.122 -2.437 19311 5237 1 7 . 1 1 142 142 SER CB C 142 62.911 62.911 64.017 -1.106 19311 5238 1 7 . 1 1 142 142 SER H H 142 7.814 7.814 8.302 -0.488 19311 5239 1 7 . 1 1 143 143 LEU N N 143 127.405 127.405 128.073 -0.668 19311 5240 1 7 . 1 1 143 143 LEU C C 143 178.496 178.496 177.787 0.709 19311 5241 1 7 . 1 1 143 143 LEU CA C 143 56.183 56.183 56.078 0.104 19311 5242 1 7 . 1 1 143 143 LEU CB C 143 40.186 40.186 41.459 -1.273 19311 5243 1 7 . 1 1 143 143 LEU H H 143 8.735 8.735 9.391 -0.656 19311 5244 1 7 . 1 1 144 144 SER N N 144 114.479 114.479 114.409 0.070 19311 5245 1 7 . 1 1 144 144 SER CA C 144 60.242 60.242 60.141 0.101 19311 5246 1 7 . 1 1 144 144 SER CB C 144 61.694 61.694 62.989 -1.295 19311 5247 1 7 . 1 1 144 144 SER H H 144 8.140 8.140 7.864 0.276 19311 5248 1 7 . 1 1 145 145 ASN N N 145 117.299 117.299 119.056 -1.757 19311 5249 1 7 . 1 1 145 145 ASN C C 145 175.940 175.940 174.607 1.333 19311 5250 1 7 . 1 1 145 145 ASN CA C 145 54.269 54.269 53.554 0.715 19311 5251 1 7 . 1 1 145 145 ASN CB C 145 38.284 38.284 39.377 -1.093 19311 5252 1 7 . 1 1 145 145 ASN H H 145 7.735 7.735 7.641 0.094 19311 5253 1 7 . 1 1 146 146 ILE N N 146 112.479 112.479 117.499 -5.020 19311 5254 1 7 . 1 1 146 146 ILE C C 146 174.155 174.155 173.668 0.487 19311 5255 1 7 . 1 1 146 146 ILE CA C 146 60.838 60.838 61.398 -0.560 19311 5256 1 7 . 1 1 146 146 ILE CB C 146 39.123 39.123 39.442 -0.319 19311 5257 1 7 . 1 1 146 146 ILE H H 146 7.489 7.489 7.367 0.122 19311 5258 1 7 . 1 1 147 147 SER N N 147 114.961 114.961 114.748 0.213 19311 5259 1 7 . 1 1 147 147 SER CA C 147 56.770 56.770 57.321 -0.551 19311 5260 1 7 . 1 1 147 147 SER CB C 147 64.077 64.077 65.063 -0.986 19311 5261 1 7 . 1 1 147 147 SER H H 147 7.794 7.794 7.970 -0.176 19311 5262 1 7 . 1 1 148 148 SER C C 148 174.292 174.292 174.531 -0.239 19311 5263 1 7 . 1 1 148 148 SER CA C 148 58.192 58.192 57.988 0.204 19311 5264 1 7 . 1 1 148 148 SER CB C 148 62.840 62.840 63.226 -0.386 19311 5265 1 7 . 1 1 149 149 LYS N N 149 122.096 122.096 123.075 -0.979 19311 5266 1 7 . 1 1 149 149 LYS CA C 149 54.607 54.607 55.620 -1.013 19311 5267 1 7 . 1 1 149 149 LYS CB C 149 33.707 33.707 33.429 0.278 19311 5268 1 7 . 1 1 149 149 LYS H H 149 8.049 8.049 7.610 0.439 19311 5269 1 7 . 1 1 150 150 GLU N N 150 120.070 120.070 119.067 1.003 19311 5270 1 7 . 1 1 150 150 GLU C C 150 174.162 174.162 176.002 -1.840 19311 5271 1 7 . 1 1 150 150 GLU CA C 150 56.703 56.703 56.797 -0.094 19311 5272 1 7 . 1 1 150 150 GLU CB C 150 29.037 29.037 30.886 -1.849 19311 5273 1 7 . 1 1 150 150 GLU H H 150 8.613 8.613 8.556 0.057 19311 5274 1 7 . 1 1 151 151 ILE N N 151 118.006 118.006 113.219 4.787 19311 5275 1 7 . 1 1 151 151 ILE C C 151 175.069 175.069 173.995 1.074 19311 5276 1 7 . 1 1 151 151 ILE CA C 151 59.088 59.088 59.116 -0.028 19311 5277 1 7 . 1 1 151 151 ILE CB C 151 39.773 39.773 42.073 -2.300 19311 5278 1 7 . 1 1 151 151 ILE H H 151 6.873 6.873 7.329 -0.456 19311 5279 1 7 . 1 1 152 152 VAL N N 152 117.278 117.278 118.981 -1.703 19311 5280 1 7 . 1 1 152 152 VAL CA C 152 56.340 56.340 58.078 -1.738 19311 5281 1 7 . 1 1 152 152 VAL CB C 152 33.340 33.340 35.950 -2.611 19311 5282 1 7 . 1 1 152 152 VAL H H 152 8.401 8.401 8.896 -0.495 19311 5283 1 7 . 1 1 153 153 PRO C C 153 175.090 175.090 175.053 0.037 19311 5284 1 7 . 1 1 153 153 PRO CA C 153 60.885 60.885 62.335 -1.450 19311 5285 1 7 . 1 1 153 153 PRO CB C 153 31.113 31.113 31.614 -0.501 19311 5286 1 7 . 1 1 154 154 VAL N N 154 124.951 124.951 120.347 4.604 19311 5287 1 7 . 1 1 154 154 VAL C C 154 174.325 174.325 174.328 -0.003 19311 5288 1 7 . 1 1 154 154 VAL CA C 154 59.700 59.700 60.257 -0.557 19311 5289 1 7 . 1 1 154 154 VAL CB C 154 35.364 35.364 36.195 -0.831 19311 5290 1 7 . 1 1 154 154 VAL H H 154 9.206 9.206 8.411 0.795 19311 5291 1 7 . 1 1 155 155 LEU N N 155 122.272 122.272 127.089 -4.817 19311 5292 1 7 . 1 1 155 155 LEU C C 155 174.865 174.865 174.472 0.393 19311 5293 1 7 . 1 1 155 155 LEU CA C 155 52.543 52.543 53.321 -0.778 19311 5294 1 7 . 1 1 155 155 LEU CB C 155 43.016 43.016 43.709 -0.693 19311 5295 1 7 . 1 1 155 155 LEU H H 155 7.818 7.818 8.727 -0.909 19311 5296 1 7 . 1 1 156 156 ASN N N 156 126.663 126.663 126.158 0.505 19311 5297 1 7 . 1 1 156 156 ASN C C 156 174.956 174.956 174.500 0.456 19311 5298 1 7 . 1 1 156 156 ASN CA C 156 51.381 51.381 52.045 -0.664 19311 5299 1 7 . 1 1 156 156 ASN CB C 156 38.588 38.588 39.807 -1.219 19311 5300 1 7 . 1 1 156 156 ASN H H 156 9.256 9.256 9.076 0.180 19311 5301 1 7 . 1 1 157 157 VAL N N 157 126.547 126.547 125.840 0.707 19311 5302 1 7 . 1 1 157 157 VAL C C 157 174.990 174.990 174.506 0.484 19311 5303 1 7 . 1 1 157 157 VAL CA C 157 62.737 62.737 62.156 0.582 19311 5304 1 7 . 1 1 157 157 VAL CB C 157 33.901 33.901 33.973 -0.072 19311 5305 1 7 . 1 1 157 157 VAL H H 157 8.730 8.730 8.837 -0.107 19311 5306 1 7 . 1 1 158 158 ASN N N 158 122.925 122.925 121.407 1.518 19311 5307 1 7 . 1 1 158 158 ASN C C 158 174.151 174.151 175.205 -1.054 19311 5308 1 7 . 1 1 158 158 ASN CA C 158 53.155 53.155 53.314 -0.159 19311 5309 1 7 . 1 1 158 158 ASN CB C 158 40.955 40.955 41.994 -1.039 19311 5310 1 7 . 1 1 158 158 ASN H H 158 8.086 8.086 8.335 -0.249 19311 5311 1 7 . 1 1 159 159 GLN N N 159 118.639 118.639 118.631 0.008 19311 5312 1 7 . 1 1 159 159 GLN C C 159 174.146 174.146 173.841 0.305 19311 5313 1 7 . 1 1 159 159 GLN CA C 159 54.960 54.960 54.228 0.732 19311 5314 1 7 . 1 1 159 159 GLN CB C 159 33.259 33.259 32.324 0.935 19311 5315 1 7 . 1 1 159 159 GLN H H 159 8.013 8.013 8.298 -0.285 19311 5316 1 7 . 1 1 160 160 ALA N N 160 121.359 121.359 124.643 -3.284 19311 5317 1 7 . 1 1 160 160 ALA C C 160 176.623 176.623 175.922 0.701 19311 5318 1 7 . 1 1 160 160 ALA CA C 160 51.336 51.336 51.529 -0.193 19311 5319 1 7 . 1 1 160 160 ALA CB C 160 20.748 20.748 22.743 -1.995 19311 5320 1 7 . 1 1 160 160 ALA H H 160 8.277 8.277 8.454 -0.177 19311 5321 1 7 . 1 1 161 161 THR N N 161 115.028 115.028 114.383 0.645 19311 5322 1 7 . 1 1 161 161 THR CA C 161 59.988 59.988 61.270 -1.282 19311 5323 1 7 . 1 1 161 161 THR CB C 161 69.766 69.766 71.947 -2.181 19311 5324 1 7 . 1 1 161 161 THR H H 161 9.101 9.101 9.015 0.086 19311 5325 1 7 . 1 1 162 162 ILE C C 162 175.079 175.079 174.764 0.315 19311 5326 1 7 . 1 1 162 162 ILE CA C 162 62.025 62.025 62.219 -0.194 19311 5327 1 7 . 1 1 162 162 ILE CB C 162 39.360 39.360 38.183 1.177 19311 5328 1 7 . 1 1 163 163 PHE N N 163 128.730 128.730 129.140 -0.410 19311 5329 1 7 . 1 1 163 163 PHE CA C 163 59.063 59.063 59.402 -0.339 19311 5330 1 7 . 1 1 163 163 PHE CB C 163 39.535 39.535 42.045 -2.510 19311 5331 1 7 . 1 1 163 163 PHE H H 163 9.310 9.310 8.774 0.536 19311 5332 1 7 . 1 1 165 165 ILE C C 165 175.305 175.305 174.246 1.059 19311 5333 1 7 . 1 1 165 165 ILE CA C 165 60.713 60.713 60.370 0.343 19311 5334 1 7 . 1 1 165 165 ILE CB C 165 38.555 38.555 37.598 0.957 19311 5335 1 7 . 1 1 166 166 ASP N N 166 124.971 124.971 121.591 3.380 19311 5336 1 7 . 1 1 166 166 ASP C C 166 175.583 175.583 175.531 0.052 19311 5337 1 7 . 1 1 166 166 ASP CA C 166 53.988 53.988 53.923 0.064 19311 5338 1 7 . 1 1 166 166 ASP CB C 166 41.109 41.109 41.086 0.023 19311 5339 1 7 . 1 1 166 166 ASP H H 166 8.400 8.400 7.888 0.512 19311 5340 1 7 . 1 1 167 167 GLN N N 167 122.323 122.323 124.487 -2.164 19311 5341 1 7 . 1 1 167 167 GLN C C 167 175.699 175.699 174.857 0.842 19311 5342 1 7 . 1 1 167 167 GLN CA C 167 55.012 55.012 56.030 -1.018 19311 5343 1 7 . 1 1 167 167 GLN CB C 167 28.830 28.830 29.604 -0.774 19311 5344 1 7 . 1 1 167 167 GLN H H 167 8.379 8.379 8.419 -0.040 19311 5345 1 7 . 1 1 168 168 VAL N N 168 122.545 122.545 124.734 -2.189 19311 5346 1 7 . 1 1 168 168 VAL C C 168 176.586 176.586 175.921 0.665 19311 5347 1 7 . 1 1 168 168 VAL CA C 168 62.315 62.315 60.623 1.692 19311 5348 1 7 . 1 1 168 168 VAL CB C 168 31.976 31.976 35.397 -3.421 19311 5349 1 7 . 1 1 168 168 VAL H H 168 8.097 8.097 8.263 -0.166 19311 5350 1 7 . 1 1 169 169 GLY N N 169 112.864 112.864 110.760 2.104 19311 5351 1 7 . 1 1 169 169 GLY CA C 169 44.508 44.508 44.772 -0.264 19311 5352 1 7 . 1 1 169 169 GLY H H 169 8.349 8.349 8.358 -0.009 19311 5353 1 7 . 1 1 171 171 LEU C C 171 177.338 177.338 177.728 -0.390 19311 5354 1 7 . 1 1 171 171 LEU CA C 171 54.598 54.598 55.616 -1.018 19311 5355 1 7 . 1 1 171 171 LEU CB C 171 40.893 40.893 42.243 -1.350 19311 5356 1 7 . 1 1 172 172 SER N N 172 117.418 117.418 118.688 -1.270 19311 5357 1 7 . 1 1 172 172 SER C C 172 172.759 172.759 174.728 -1.969 19311 5358 1 7 . 1 1 172 172 SER CA C 172 57.862 57.862 58.032 -0.170 19311 5359 1 7 . 1 1 172 172 SER CB C 172 63.116 63.116 64.157 -1.042 19311 5360 1 7 . 1 1 172 172 SER H H 172 7.985 7.985 9.209 -1.224 19311 5361 1 7 . 1 1 173 173 THR N N 173 116.665 116.665 115.775 0.890 19311 5362 1 7 . 1 1 173 173 THR C C 173 173.571 173.571 173.439 0.132 19311 5363 1 7 . 1 1 173 173 THR CA C 173 61.126 61.126 64.041 -2.915 19311 5364 1 7 . 1 1 173 173 THR CB C 173 69.260 69.260 68.588 0.672 19311 5365 1 7 . 1 1 173 173 THR H H 173 7.922 7.922 8.430 -0.508 19311 5366 1 7 . 1 1 174 174 PHE N N 174 125.740 125.740 117.584 8.156 19311 5367 1 7 . 1 1 174 174 PHE CA C 174 54.742 54.742 54.659 0.083 19311 5368 1 7 . 1 1 174 174 PHE CB C 174 38.364 38.364 39.935 -1.571 19311 5369 1 7 . 1 1 174 174 PHE H H 174 8.618 8.618 7.842 0.776 19311 5370 1 7 . 1 1 175 175 PRO C C 175 178.235 178.235 174.772 3.463 19311 5371 1 7 . 1 1 175 175 PRO CA C 175 61.555 61.555 62.766 -1.211 19311 5372 1 7 . 1 1 175 175 PRO CB C 175 31.606 31.606 32.836 -1.230 19311 5373 1 7 . 1 1 176 176 PHE N N 176 119.598 119.598 116.779 2.819 19311 5374 1 7 . 1 1 176 176 PHE C C 176 178.361 178.361 177.844 0.517 19311 5375 1 7 . 1 1 176 176 PHE CA C 176 59.631 59.631 59.879 -0.248 19311 5376 1 7 . 1 1 176 176 PHE CB C 176 39.493 39.493 40.925 -1.433 19311 5377 1 7 . 1 1 176 176 PHE H H 176 9.179 9.179 8.601 0.578 19311 5378 1 7 . 1 1 177 177 VAL N N 177 121.283 121.283 119.151 2.132 19311 5379 1 7 . 1 1 177 177 VAL C C 177 174.922 174.922 177.537 -2.615 19311 5380 1 7 . 1 1 177 177 VAL CA C 177 62.670 62.670 65.990 -3.321 19311 5381 1 7 . 1 1 177 177 VAL CB C 177 31.437 31.437 31.580 -0.143 19311 5382 1 7 . 1 1 177 177 VAL H H 177 9.408 9.408 8.169 1.239 19311 5383 1 7 . 1 1 178 178 TYR N N 178 116.602 116.602 118.983 -2.381 19311 5384 1 7 . 1 1 178 178 TYR C C 178 176.839 176.839 177.585 -0.746 19311 5385 1 7 . 1 1 178 178 TYR CA C 178 56.575 56.575 60.810 -4.235 19311 5386 1 7 . 1 1 178 178 TYR CB C 178 35.764 35.764 37.511 -1.746 19311 5387 1 7 . 1 1 178 178 TYR H H 178 6.166 6.166 8.329 -2.163 19311 5388 1 7 . 1 1 179 179 LYS N N 179 118.114 118.114 117.607 0.507 19311 5389 1 7 . 1 1 179 179 LYS C C 179 176.384 176.384 177.044 -0.660 19311 5390 1 7 . 1 1 179 179 LYS CA C 179 57.540 57.540 57.872 -0.332 19311 5391 1 7 . 1 1 179 179 LYS CB C 179 31.024 31.024 32.122 -1.098 19311 5392 1 7 . 1 1 179 179 LYS H H 179 7.554 7.554 7.848 -0.294 19311 5393 1 7 . 1 1 180 180 TYR N N 180 117.346 117.346 116.352 0.994 19311 5394 1 7 . 1 1 180 180 TYR C C 180 174.479 174.479 175.560 -1.081 19311 5395 1 7 . 1 1 180 180 TYR CA C 180 57.407 57.407 58.160 -0.753 19311 5396 1 7 . 1 1 180 180 TYR CB C 180 38.020 38.020 38.712 -0.692 19311 5397 1 7 . 1 1 180 180 TYR H H 180 7.788 7.788 7.696 0.092 19311 5398 1 8 . 1 1 13 13 THR C C 13 174.300 174.300 175.792 -1.492 19311 5399 1 8 . 1 1 13 13 THR CA C 13 61.472 61.472 63.101 -1.629 19311 5400 1 8 . 1 1 13 13 THR CB C 13 69.201 69.201 68.836 0.365 19311 5401 1 8 . 1 1 14 14 ASP N N 14 123.228 123.228 122.900 0.328 19311 5402 1 8 . 1 1 14 14 ASP C C 14 176.245 176.245 176.902 -0.657 19311 5403 1 8 . 1 1 14 14 ASP CA C 14 53.996 53.996 56.560 -2.564 19311 5404 1 8 . 1 1 14 14 ASP CB C 14 41.601 41.601 39.996 1.605 19311 5405 1 8 . 1 1 14 14 ASP H H 14 8.321 8.321 7.935 0.386 19311 5406 1 8 . 1 1 15 15 SER N N 15 115.463 115.463 113.684 1.779 19311 5407 1 8 . 1 1 15 15 SER C C 15 175.991 175.991 175.919 0.072 19311 5408 1 8 . 1 1 15 15 SER CA C 15 58.020 58.020 60.136 -2.116 19311 5409 1 8 . 1 1 15 15 SER CB C 15 63.080 63.080 63.017 0.062 19311 5410 1 8 . 1 1 15 15 SER H H 15 8.403 8.403 7.278 1.125 19311 5411 1 8 . 1 1 16 16 VAL N N 16 124.538 124.538 120.887 3.651 19311 5412 1 8 . 1 1 16 16 VAL C C 16 176.097 176.097 177.348 -1.251 19311 5413 1 8 . 1 1 16 16 VAL CA C 16 62.750 62.750 65.001 -2.251 19311 5414 1 8 . 1 1 16 16 VAL CB C 16 30.859 30.859 32.138 -1.279 19311 5415 1 8 . 1 1 16 16 VAL H H 16 8.139 8.139 7.575 0.564 19311 5416 1 8 . 1 1 17 17 PHE N N 17 119.242 119.242 112.556 6.686 19311 5417 1 8 . 1 1 17 17 PHE C C 17 176.086 176.086 174.303 1.783 19311 5418 1 8 . 1 1 17 17 PHE CA C 17 58.934 58.934 56.171 2.763 19311 5419 1 8 . 1 1 17 17 PHE CB C 17 38.133 38.133 39.332 -1.199 19311 5420 1 8 . 1 1 17 17 PHE H H 17 7.575 7.575 6.958 0.617 19311 5421 1 8 . 1 1 18 18 LEU N N 18 121.292 121.292 121.660 -0.368 19311 5422 1 8 . 1 1 18 18 LEU C C 18 173.871 173.871 175.452 -1.581 19311 5423 1 8 . 1 1 18 18 LEU CA C 18 54.048 54.048 53.607 0.441 19311 5424 1 8 . 1 1 18 18 LEU CB C 18 41.529 41.529 40.307 1.222 19311 5425 1 8 . 1 1 18 18 LEU H H 18 7.586 7.586 7.381 0.205 19311 5426 1 8 . 1 1 19 19 GLN N N 19 128.124 128.124 122.184 5.940 19311 5427 1 8 . 1 1 19 19 GLN CA C 19 53.131 53.131 52.278 0.853 19311 5428 1 8 . 1 1 19 19 GLN CB C 19 30.299 30.299 29.231 1.068 19311 5429 1 8 . 1 1 19 19 GLN H H 19 8.893 8.893 7.792 1.101 19311 5430 1 8 . 1 1 20 20 PRO C C 20 176.974 176.974 176.223 0.751 19311 5431 1 8 . 1 1 20 20 PRO CA C 20 62.459 62.459 63.697 -1.238 19311 5432 1 8 . 1 1 20 20 PRO CB C 20 29.693 29.693 31.647 -1.954 19311 5433 1 8 . 1 1 21 21 TRP N N 21 126.042 126.042 122.667 3.375 19311 5434 1 8 . 1 1 21 21 TRP C C 21 176.624 176.624 176.193 0.431 19311 5435 1 8 . 1 1 21 21 TRP CA C 21 58.241 58.241 57.355 0.886 19311 5436 1 8 . 1 1 21 21 TRP CB C 21 31.457 31.457 30.404 1.053 19311 5437 1 8 . 1 1 21 21 TRP H H 21 9.813 9.813 9.435 0.378 19311 5438 1 8 . 1 1 22 22 ILE N N 22 128.281 128.281 123.282 4.999 19311 5439 1 8 . 1 1 22 22 ILE C C 22 176.776 176.776 177.197 -0.421 19311 5440 1 8 . 1 1 22 22 ILE CA C 22 66.628 66.628 65.363 1.265 19311 5441 1 8 . 1 1 22 22 ILE CB C 22 37.455 37.455 37.346 0.109 19311 5442 1 8 . 1 1 22 22 ILE H H 22 8.438 8.438 8.155 0.283 19311 5443 1 8 . 1 1 23 23 LYS N N 23 121.661 121.661 121.152 0.509 19311 5444 1 8 . 1 1 23 23 LYS C C 23 177.812 177.812 178.144 -0.332 19311 5445 1 8 . 1 1 23 23 LYS CA C 23 60.467 60.467 59.869 0.598 19311 5446 1 8 . 1 1 23 23 LYS CB C 23 31.055 31.055 31.956 -0.901 19311 5447 1 8 . 1 1 23 23 LYS H H 23 9.062 9.062 7.820 1.242 19311 5448 1 8 . 1 1 24 24 ALA N N 24 120.454 120.454 121.647 -1.193 19311 5449 1 8 . 1 1 24 24 ALA C C 24 179.285 179.285 179.739 -0.454 19311 5450 1 8 . 1 1 24 24 ALA CA C 24 54.076 54.076 54.671 -0.595 19311 5451 1 8 . 1 1 24 24 ALA CB C 24 17.220 17.220 17.984 -0.764 19311 5452 1 8 . 1 1 24 24 ALA H H 24 8.447 8.447 8.082 0.365 19311 5453 1 8 . 1 1 25 25 LEU N N 25 120.482 120.482 119.955 0.527 19311 5454 1 8 . 1 1 25 25 LEU C C 25 180.269 180.269 178.686 1.583 19311 5455 1 8 . 1 1 25 25 LEU CA C 25 58.102 58.102 58.141 -0.039 19311 5456 1 8 . 1 1 25 25 LEU CB C 25 41.636 41.636 42.086 -0.450 19311 5457 1 8 . 1 1 25 25 LEU H H 25 8.071 8.071 7.891 0.180 19311 5458 1 8 . 1 1 26 26 ILE N N 26 119.868 119.868 116.195 3.673 19311 5459 1 8 . 1 1 26 26 ILE C C 26 179.617 179.617 178.068 1.549 19311 5460 1 8 . 1 1 26 26 ILE CA C 26 63.547 63.547 62.014 1.533 19311 5461 1 8 . 1 1 26 26 ILE CB C 26 35.786 35.786 36.870 -1.083 19311 5462 1 8 . 1 1 26 26 ILE H H 26 8.158 8.158 7.410 0.748 19311 5463 1 8 . 1 1 27 27 GLU N N 27 122.067 122.067 121.379 0.688 19311 5464 1 8 . 1 1 27 27 GLU C C 27 179.103 179.103 179.170 -0.067 19311 5465 1 8 . 1 1 27 27 GLU CA C 27 59.138 59.138 59.271 -0.133 19311 5466 1 8 . 1 1 27 27 GLU CB C 27 28.461 28.461 29.449 -0.988 19311 5467 1 8 . 1 1 27 27 GLU H H 27 8.543 8.543 8.247 0.296 19311 5468 1 8 . 1 1 28 28 ASP N N 28 119.228 119.228 117.311 1.917 19311 5469 1 8 . 1 1 28 28 ASP C C 28 176.992 176.992 176.682 0.310 19311 5470 1 8 . 1 1 28 28 ASP CA C 28 55.657 55.657 55.517 0.140 19311 5471 1 8 . 1 1 28 28 ASP CB C 28 40.403 40.403 41.138 -0.735 19311 5472 1 8 . 1 1 28 28 ASP H H 28 8.396 8.396 8.252 0.144 19311 5473 1 8 . 1 1 29 29 ASN N N 29 117.545 117.545 117.462 0.083 19311 5474 1 8 . 1 1 29 29 ASN C C 29 174.277 174.277 174.788 -0.511 19311 5475 1 8 . 1 1 29 29 ASN CA C 29 53.694 53.694 52.344 1.350 19311 5476 1 8 . 1 1 29 29 ASN CB C 29 40.069 40.069 39.113 0.956 19311 5477 1 8 . 1 1 29 29 ASN H H 29 7.536 7.536 7.477 0.059 19311 5478 1 8 . 1 1 30 30 SER N N 30 115.444 115.444 114.361 1.083 19311 5479 1 8 . 1 1 30 30 SER C C 30 173.942 173.942 174.914 -0.972 19311 5480 1 8 . 1 1 30 30 SER CA C 30 58.804 58.804 60.873 -2.069 19311 5481 1 8 . 1 1 30 30 SER CB C 30 63.838 63.838 63.945 -0.107 19311 5482 1 8 . 1 1 30 30 SER H H 30 7.704 7.704 8.256 -0.552 19311 5483 1 8 . 1 1 31 31 GLU N N 31 122.456 122.456 122.004 0.452 19311 5484 1 8 . 1 1 31 31 GLU C C 31 176.234 176.234 176.297 -0.063 19311 5485 1 8 . 1 1 31 31 GLU CA C 31 55.633 55.633 55.985 -0.352 19311 5486 1 8 . 1 1 31 31 GLU CB C 31 29.619 29.619 27.941 1.678 19311 5487 1 8 . 1 1 31 31 GLU H H 31 8.287 8.287 8.444 -0.157 19311 5488 1 8 . 1 1 32 32 HIS N N 32 120.953 120.953 120.046 0.907 19311 5489 1 8 . 1 1 32 32 HIS C C 32 174.779 174.779 175.051 -0.272 19311 5490 1 8 . 1 1 32 32 HIS CA C 32 56.355 56.355 58.223 -1.868 19311 5491 1 8 . 1 1 32 32 HIS CB C 32 29.467 29.467 29.863 -0.396 19311 5492 1 8 . 1 1 32 32 HIS H H 32 8.207 8.207 8.093 0.114 19311 5493 1 8 . 1 1 33 33 ASP N N 33 120.471 120.471 117.259 3.212 19311 5494 1 8 . 1 1 33 33 ASP C C 33 175.225 175.225 176.524 -1.299 19311 5495 1 8 . 1 1 33 33 ASP CA C 33 54.277 54.277 54.621 -0.344 19311 5496 1 8 . 1 1 33 33 ASP CB C 33 40.007 40.007 40.495 -0.488 19311 5497 1 8 . 1 1 33 33 ASP H H 33 8.256 8.256 8.141 0.115 19311 5498 1 8 . 1 1 34 34 GLN N N 34 118.522 118.522 116.959 1.563 19311 5499 1 8 . 1 1 34 34 GLN C C 34 175.275 175.275 176.366 -1.091 19311 5500 1 8 . 1 1 34 34 GLN CA C 34 55.388 55.388 55.453 -0.065 19311 5501 1 8 . 1 1 34 34 GLN CB C 34 28.586 28.586 30.568 -1.982 19311 5502 1 8 . 1 1 34 34 GLN H H 34 7.854 7.854 7.564 0.290 19311 5503 1 8 . 1 1 35 35 TYR N N 35 120.831 120.831 122.329 -1.498 19311 5504 1 8 . 1 1 35 35 TYR C C 35 174.882 174.882 175.065 -0.183 19311 5505 1 8 . 1 1 35 35 TYR CA C 35 56.752 56.752 58.907 -2.155 19311 5506 1 8 . 1 1 35 35 TYR CB C 35 36.712 36.712 39.312 -2.600 19311 5507 1 8 . 1 1 35 35 TYR H H 35 8.072 8.072 7.949 0.123 19311 5508 1 8 . 1 1 36 36 HIS N N 36 121.429 121.429 127.028 -5.599 19311 5509 1 8 . 1 1 36 36 HIS CA C 36 53.280 53.280 56.703 -3.424 19311 5510 1 8 . 1 1 36 36 HIS CB C 36 29.223 29.223 30.106 -0.883 19311 5511 1 8 . 1 1 36 36 HIS H H 36 7.788 7.788 7.947 -0.159 19311 5512 1 8 . 1 1 37 37 PRO C C 37 177.021 177.021 176.806 0.215 19311 5513 1 8 . 1 1 37 37 PRO CA C 37 62.947 62.947 65.059 -2.112 19311 5514 1 8 . 1 1 37 37 PRO CB C 37 31.735 31.735 31.999 -0.264 19311 5515 1 8 . 1 1 38 38 SER N N 38 117.550 117.550 112.049 5.501 19311 5516 1 8 . 1 1 38 38 SER C C 38 174.281 174.281 174.598 -0.317 19311 5517 1 8 . 1 1 38 38 SER CA C 38 57.494 57.494 57.547 -0.053 19311 5518 1 8 . 1 1 38 38 SER CB C 38 63.795 63.795 64.063 -0.268 19311 5519 1 8 . 1 1 38 38 SER H H 38 8.808 8.808 8.459 0.349 19311 5520 1 8 . 1 1 39 39 GLY N N 39 113.547 113.547 110.606 2.941 19311 5521 1 8 . 1 1 39 39 GLY C C 39 173.690 173.690 173.029 0.661 19311 5522 1 8 . 1 1 39 39 GLY CA C 39 44.463 44.463 44.940 -0.476 19311 5523 1 8 . 1 1 39 39 GLY H H 39 8.564 8.564 7.909 0.655 19311 5524 1 8 . 1 1 40 40 HIS N N 40 121.529 121.529 122.089 -0.560 19311 5525 1 8 . 1 1 40 40 HIS C C 40 175.794 175.794 175.679 0.115 19311 5526 1 8 . 1 1 40 40 HIS CA C 40 55.796 55.796 56.375 -0.579 19311 5527 1 8 . 1 1 40 40 HIS CB C 40 26.887 26.887 32.869 -5.982 19311 5528 1 8 . 1 1 40 40 HIS H H 40 9.071 9.071 8.558 0.513 19311 5529 1 8 . 1 1 41 41 VAL N N 41 115.423 115.423 121.023 -5.600 19311 5530 1 8 . 1 1 41 41 VAL C C 41 176.247 176.247 176.113 0.134 19311 5531 1 8 . 1 1 41 41 VAL CA C 41 62.424 62.424 64.241 -1.817 19311 5532 1 8 . 1 1 41 41 VAL CB C 41 31.201 31.201 33.145 -1.944 19311 5533 1 8 . 1 1 41 41 VAL H H 41 8.201 8.201 8.880 -0.679 19311 5534 1 8 . 1 1 42 42 ILE N N 42 120.213 120.213 112.629 7.584 19311 5535 1 8 . 1 1 42 42 ILE CA C 42 58.655 58.655 57.383 1.272 19311 5536 1 8 . 1 1 42 42 ILE CB C 42 39.579 39.579 38.709 0.870 19311 5537 1 8 . 1 1 42 42 ILE H H 42 7.305 7.305 7.288 0.017 19311 5538 1 8 . 1 1 43 43 PRO C C 43 177.076 177.076 176.333 0.743 19311 5539 1 8 . 1 1 43 43 PRO CA C 43 62.446 62.446 63.259 -0.813 19311 5540 1 8 . 1 1 43 43 PRO CB C 43 32.486 32.486 32.633 -0.147 19311 5541 1 8 . 1 1 44 44 SER N N 44 116.530 116.530 115.405 1.125 19311 5542 1 8 . 1 1 44 44 SER C C 44 173.398 173.398 174.109 -0.711 19311 5543 1 8 . 1 1 44 44 SER CA C 44 57.636 57.636 57.949 -0.313 19311 5544 1 8 . 1 1 44 44 SER CB C 44 63.032 63.032 63.407 -0.375 19311 5545 1 8 . 1 1 44 44 SER H H 44 8.436 8.436 8.319 0.117 19311 5546 1 8 . 1 1 45 45 LEU N N 45 127.441 127.441 127.711 -0.270 19311 5547 1 8 . 1 1 45 45 LEU C C 45 178.103 178.103 177.164 0.939 19311 5548 1 8 . 1 1 45 45 LEU CA C 45 52.534 52.534 54.367 -1.833 19311 5549 1 8 . 1 1 45 45 LEU CB C 45 42.737 42.737 43.348 -0.611 19311 5550 1 8 . 1 1 45 45 LEU H H 45 9.947 9.947 8.537 1.410 19311 5551 1 8 . 1 1 46 46 THR N N 46 114.571 114.571 112.868 1.703 19311 5552 1 8 . 1 1 46 46 THR C C 46 175.217 175.217 175.703 -0.486 19311 5553 1 8 . 1 1 46 46 THR CA C 46 60.441 60.441 59.912 0.529 19311 5554 1 8 . 1 1 46 46 THR CB C 46 71.156 71.156 71.064 0.092 19311 5555 1 8 . 1 1 46 46 THR H H 46 9.328 9.328 8.948 0.380 19311 5556 1 8 . 1 1 47 47 LYS N N 47 120.404 120.404 119.630 0.774 19311 5557 1 8 . 1 1 47 47 LYS C C 47 179.434 179.434 179.182 0.252 19311 5558 1 8 . 1 1 47 47 LYS CA C 47 59.340 59.340 60.778 -1.438 19311 5559 1 8 . 1 1 47 47 LYS CB C 47 30.960 30.960 32.149 -1.189 19311 5560 1 8 . 1 1 47 47 LYS H H 47 8.690 8.690 8.613 0.077 19311 5561 1 8 . 1 1 48 48 GLN N N 48 119.487 119.487 118.165 1.322 19311 5562 1 8 . 1 1 48 48 GLN C C 48 178.691 178.691 178.330 0.361 19311 5563 1 8 . 1 1 48 48 GLN CA C 48 58.356 58.356 58.778 -0.422 19311 5564 1 8 . 1 1 48 48 GLN CB C 48 27.365 27.365 28.499 -1.134 19311 5565 1 8 . 1 1 48 48 GLN H H 48 8.082 8.082 8.007 0.075 19311 5566 1 8 . 1 1 49 49 ASP N N 49 122.541 122.541 120.154 2.387 19311 5567 1 8 . 1 1 49 49 ASP C C 49 175.759 175.759 178.199 -2.440 19311 5568 1 8 . 1 1 49 49 ASP CA C 49 57.516 57.516 56.913 0.603 19311 5569 1 8 . 1 1 49 49 ASP CB C 49 41.147 41.147 40.852 0.295 19311 5570 1 8 . 1 1 49 49 ASP H H 49 7.743 7.743 7.507 0.236 19311 5571 1 8 . 1 1 50 50 LEU N N 50 113.803 113.803 119.563 -5.760 19311 5572 1 8 . 1 1 50 50 LEU C C 50 178.243 178.243 179.079 -0.836 19311 5573 1 8 . 1 1 50 50 LEU CA C 50 56.063 56.063 57.591 -1.528 19311 5574 1 8 . 1 1 50 50 LEU CB C 50 41.162 41.162 41.655 -0.493 19311 5575 1 8 . 1 1 50 50 LEU H H 50 7.307 7.307 8.223 -0.916 19311 5576 1 8 . 1 1 51 51 ALA N N 51 120.417 120.417 121.907 -1.490 19311 5577 1 8 . 1 1 51 51 ALA C C 51 178.660 178.660 177.925 0.735 19311 5578 1 8 . 1 1 51 51 ALA CA C 51 53.718 53.718 54.264 -0.547 19311 5579 1 8 . 1 1 51 51 ALA CB C 51 18.193 18.193 19.635 -1.442 19311 5580 1 8 . 1 1 51 51 ALA H H 51 7.677 7.677 7.977 -0.300 19311 5581 1 8 . 1 1 52 52 LEU N N 52 116.642 116.642 118.402 -1.760 19311 5582 1 8 . 1 1 52 52 LEU CA C 52 51.307 51.307 52.011 -0.704 19311 5583 1 8 . 1 1 52 52 LEU CB C 52 42.099 42.099 42.407 -0.308 19311 5584 1 8 . 1 1 52 52 LEU H H 52 6.992 6.992 7.699 -0.707 19311 5585 1 8 . 1 1 53 53 PRO C C 53 177.594 177.594 177.844 -0.250 19311 5586 1 8 . 1 1 53 53 PRO CA C 53 65.466 65.466 64.740 0.726 19311 5587 1 8 . 1 1 53 53 PRO CB C 53 31.761 31.761 31.890 -0.129 19311 5588 1 8 . 1 1 54 54 HIS N N 54 112.752 112.752 112.508 0.244 19311 5589 1 8 . 1 1 54 54 HIS C C 54 175.187 175.187 174.407 0.780 19311 5590 1 8 . 1 1 54 54 HIS CA C 54 57.695 57.695 57.023 0.673 19311 5591 1 8 . 1 1 54 54 HIS CB C 54 28.716 28.716 28.498 0.218 19311 5592 1 8 . 1 1 54 54 HIS H H 54 8.274 8.274 8.469 -0.195 19311 5593 1 8 . 1 1 55 55 MET N N 55 116.326 116.326 118.295 -1.969 19311 5594 1 8 . 1 1 55 55 MET C C 55 175.522 175.522 175.683 -0.161 19311 5595 1 8 . 1 1 55 55 MET CA C 55 53.185 53.185 54.203 -1.018 19311 5596 1 8 . 1 1 55 55 MET CB C 55 32.240 32.240 32.245 -0.005 19311 5597 1 8 . 1 1 55 55 MET H H 55 7.254 7.254 7.323 -0.069 19311 5598 1 8 . 1 1 56 56 SER N N 56 116.685 116.685 116.758 -0.073 19311 5599 1 8 . 1 1 56 56 SER CA C 56 54.269 54.269 54.221 0.048 19311 5600 1 8 . 1 1 56 56 SER CB C 56 63.227 63.227 64.400 -1.173 19311 5601 1 8 . 1 1 56 56 SER H H 56 7.038 7.038 7.391 -0.353 19311 5602 1 8 . 1 1 57 57 PRO C C 57 178.714 178.714 178.003 0.711 19311 5603 1 8 . 1 1 57 57 PRO CA C 57 64.333 64.333 65.501 -1.167 19311 5604 1 8 . 1 1 57 57 PRO CB C 57 31.044 31.044 31.817 -0.773 19311 5605 1 8 . 1 1 58 58 THR N N 58 115.440 115.440 109.171 6.269 19311 5606 1 8 . 1 1 58 58 THR C C 58 175.811 175.811 175.235 0.576 19311 5607 1 8 . 1 1 58 58 THR CA C 58 65.411 65.411 64.583 0.828 19311 5608 1 8 . 1 1 58 58 THR CB C 58 68.208 68.208 68.390 -0.182 19311 5609 1 8 . 1 1 58 58 THR H H 58 7.560 7.560 7.870 -0.310 19311 5610 1 8 . 1 1 59 59 ILE N N 59 122.823 122.823 120.393 2.430 19311 5611 1 8 . 1 1 59 59 ILE C C 59 176.672 176.672 177.472 -0.800 19311 5612 1 8 . 1 1 59 59 ILE CA C 59 64.230 64.230 63.261 0.969 19311 5613 1 8 . 1 1 59 59 ILE CB C 59 37.283 37.283 38.350 -1.067 19311 5614 1 8 . 1 1 59 59 ILE H H 59 7.182 7.182 7.441 -0.259 19311 5615 1 8 . 1 1 60 60 LEU N N 60 113.853 113.853 118.963 -5.110 19311 5616 1 8 . 1 1 60 60 LEU C C 60 179.288 179.288 178.139 1.149 19311 5617 1 8 . 1 1 60 60 LEU CA C 60 56.589 56.589 57.386 -0.798 19311 5618 1 8 . 1 1 60 60 LEU CB C 60 40.734 40.734 42.082 -1.348 19311 5619 1 8 . 1 1 60 60 LEU H H 60 7.894 7.894 7.923 -0.029 19311 5620 1 8 . 1 1 61 61 THR N N 61 107.267 107.267 106.772 0.495 19311 5621 1 8 . 1 1 61 61 THR C C 61 173.987 173.987 174.200 -0.213 19311 5622 1 8 . 1 1 61 61 THR CA C 61 61.516 61.516 61.605 -0.089 19311 5623 1 8 . 1 1 61 61 THR CB C 61 69.919 69.919 69.067 0.852 19311 5624 1 8 . 1 1 61 61 THR H H 61 7.427 7.427 7.822 -0.395 19311 5625 1 8 . 1 1 62 62 ASN N N 62 121.377 121.377 119.908 1.469 19311 5626 1 8 . 1 1 62 62 ASN CA C 62 49.977 49.977 50.594 -0.617 19311 5627 1 8 . 1 1 62 62 ASN CB C 62 39.885 39.885 40.182 -0.297 19311 5628 1 8 . 1 1 62 62 ASN H H 62 7.368 7.368 7.818 -0.450 19311 5629 1 8 . 1 1 63 63 PRO C C 63 176.868 176.868 178.131 -1.263 19311 5630 1 8 . 1 1 63 63 PRO CA C 63 64.130 64.130 64.960 -0.830 19311 5631 1 8 . 1 1 63 63 PRO CB C 63 32.275 32.275 32.212 0.062 19311 5632 1 8 . 1 1 64 64 CYS N N 64 113.208 113.208 114.212 -1.004 19311 5633 1 8 . 1 1 64 64 CYS C C 64 170.205 170.205 175.149 -4.944 19311 5634 1 8 . 1 1 64 64 CYS CA C 64 56.943 56.943 60.413 -3.470 19311 5635 1 8 . 1 1 64 64 CYS CB C 64 26.242 26.242 26.778 -0.536 19311 5636 1 8 . 1 1 64 64 CYS H H 64 7.072 7.072 8.491 -1.419 19311 5637 1 8 . 1 1 65 65 HIS N N 65 108.987 108.987 116.359 -7.372 19311 5638 1 8 . 1 1 65 65 HIS C C 65 174.303 174.303 173.950 0.353 19311 5639 1 8 . 1 1 65 65 HIS CA C 65 56.141 56.141 57.445 -1.304 19311 5640 1 8 . 1 1 65 65 HIS CB C 65 28.565 28.565 29.745 -1.180 19311 5641 1 8 . 1 1 65 65 HIS H H 65 6.651 6.651 7.663 -1.012 19311 5642 1 8 . 1 1 66 66 PHE N N 66 116.823 116.823 119.721 -2.898 19311 5643 1 8 . 1 1 66 66 PHE C C 66 174.308 174.308 174.107 0.201 19311 5644 1 8 . 1 1 66 66 PHE CA C 66 56.990 56.990 56.861 0.129 19311 5645 1 8 . 1 1 66 66 PHE CB C 66 41.535 41.535 42.030 -0.495 19311 5646 1 8 . 1 1 66 66 PHE H H 66 7.548 7.548 7.720 -0.172 19311 5647 1 8 . 1 1 67 67 ALA N N 67 119.242 119.242 124.667 -5.425 19311 5648 1 8 . 1 1 67 67 ALA C C 67 175.495 175.495 175.300 0.195 19311 5649 1 8 . 1 1 67 67 ALA CA C 67 50.842 50.842 51.370 -0.528 19311 5650 1 8 . 1 1 67 67 ALA CB C 67 24.144 24.144 22.702 1.442 19311 5651 1 8 . 1 1 67 67 ALA H H 67 8.646 8.646 9.290 -0.644 19311 5652 1 8 . 1 1 68 68 LYS N N 68 118.338 118.338 123.343 -5.005 19311 5653 1 8 . 1 1 68 68 LYS C C 68 176.011 176.011 175.166 0.845 19311 5654 1 8 . 1 1 68 68 LYS CA C 68 54.557 54.557 54.614 -0.056 19311 5655 1 8 . 1 1 68 68 LYS CB C 68 34.575 34.575 34.354 0.221 19311 5656 1 8 . 1 1 68 68 LYS H H 68 8.373 8.373 8.612 -0.239 19311 5657 1 8 . 1 1 69 69 ILE N N 69 126.321 126.321 126.574 -0.253 19311 5658 1 8 . 1 1 69 69 ILE C C 69 176.711 176.711 176.962 -0.251 19311 5659 1 8 . 1 1 69 69 ILE CA C 69 61.581 61.581 60.441 1.140 19311 5660 1 8 . 1 1 69 69 ILE CB C 69 37.161 37.161 37.317 -0.156 19311 5661 1 8 . 1 1 69 69 ILE H H 69 9.660 9.660 8.988 0.672 19311 5662 1 8 . 1 1 70 70 THR N N 70 118.154 118.154 118.782 -0.628 19311 5663 1 8 . 1 1 70 70 THR C C 70 175.076 175.076 174.672 0.404 19311 5664 1 8 . 1 1 70 70 THR CA C 70 60.883 60.883 62.255 -1.372 19311 5665 1 8 . 1 1 70 70 THR CB C 70 68.643 68.643 70.510 -1.867 19311 5666 1 8 . 1 1 70 70 THR H H 70 8.785 8.785 8.678 0.107 19311 5667 1 8 . 1 1 71 71 LYS N N 71 122.877 122.877 119.227 3.650 19311 5668 1 8 . 1 1 71 71 LYS C C 71 173.355 173.355 173.596 -0.241 19311 5669 1 8 . 1 1 71 71 LYS CA C 71 56.459 56.459 56.027 0.432 19311 5670 1 8 . 1 1 71 71 LYS CB C 71 34.142 34.142 34.052 0.090 19311 5671 1 8 . 1 1 71 71 LYS H H 71 7.088 7.088 7.124 -0.036 19311 5672 1 8 . 1 1 72 72 PHE N N 72 122.143 122.143 123.321 -1.178 19311 5673 1 8 . 1 1 72 72 PHE C C 72 175.071 175.071 175.630 -0.559 19311 5674 1 8 . 1 1 72 72 PHE CA C 72 57.980 57.980 57.701 0.279 19311 5675 1 8 . 1 1 72 72 PHE CB C 72 39.359 39.359 39.993 -0.634 19311 5676 1 8 . 1 1 72 72 PHE H H 72 8.530 8.530 8.428 0.102 19311 5677 1 8 . 1 1 73 73 TYR N N 73 123.208 123.208 122.505 0.703 19311 5678 1 8 . 1 1 73 73 TYR C C 73 176.295 176.295 174.514 1.781 19311 5679 1 8 . 1 1 73 73 TYR CA C 73 60.464 60.464 59.504 0.960 19311 5680 1 8 . 1 1 73 73 TYR CB C 73 39.634 39.634 40.072 -0.438 19311 5681 1 8 . 1 1 73 73 TYR H H 73 9.437 9.437 9.094 0.343 19311 5682 1 8 . 1 1 74 74 ASN N N 74 113.786 113.786 117.044 -3.258 19311 5683 1 8 . 1 1 74 74 ASN C C 74 172.652 172.652 173.343 -0.691 19311 5684 1 8 . 1 1 74 74 ASN CA C 74 52.675 52.675 52.594 0.081 19311 5685 1 8 . 1 1 74 74 ASN CB C 74 39.801 39.801 39.452 0.349 19311 5686 1 8 . 1 1 74 74 ASN H H 74 7.993 7.993 8.237 -0.244 19311 5687 1 8 . 1 1 75 75 VAL N N 75 124.913 124.913 125.299 -0.386 19311 5688 1 8 . 1 1 75 75 VAL C C 75 175.179 175.179 175.548 -0.369 19311 5689 1 8 . 1 1 75 75 VAL CA C 75 61.422 61.422 62.179 -0.757 19311 5690 1 8 . 1 1 75 75 VAL CB C 75 33.185 33.185 32.629 0.556 19311 5691 1 8 . 1 1 75 75 VAL H H 75 7.721 7.721 8.550 -0.829 19311 5692 1 8 . 1 1 76 76 CYS N N 76 125.698 125.698 126.225 -0.527 19311 5693 1 8 . 1 1 76 76 CYS CA C 76 57.694 57.694 56.740 0.954 19311 5694 1 8 . 1 1 76 76 CYS CB C 76 27.993 27.993 31.637 -3.644 19311 5695 1 8 . 1 1 76 76 CYS H H 76 8.677 8.677 8.874 -0.197 19311 5696 1 8 . 1 1 78 78 TYR N N 78 109.730 109.730 119.003 -9.273 19311 5697 1 8 . 1 1 78 78 TYR C C 78 173.592 173.592 174.078 -0.486 19311 5698 1 8 . 1 1 78 78 TYR CA C 78 60.078 60.078 58.453 1.625 19311 5699 1 8 . 1 1 78 78 TYR CB C 78 35.627 35.627 35.408 0.219 19311 5700 1 8 . 1 1 78 78 TYR H H 78 8.215 8.215 8.379 -0.164 19311 5701 1 8 . 1 1 79 79 LYS N N 79 119.181 119.181 119.703 -0.522 19311 5702 1 8 . 1 1 79 79 LYS C C 79 175.198 175.198 175.123 0.075 19311 5703 1 8 . 1 1 79 79 LYS CA C 79 55.243 55.243 55.682 -0.439 19311 5704 1 8 . 1 1 79 79 LYS CB C 79 33.522 33.522 34.850 -1.328 19311 5705 1 8 . 1 1 79 79 LYS H H 79 7.695 7.695 7.894 -0.199 19311 5706 1 8 . 1 1 80 80 VAL N N 80 118.700 118.700 124.245 -5.545 19311 5707 1 8 . 1 1 80 80 VAL C C 80 172.953 172.953 174.564 -1.611 19311 5708 1 8 . 1 1 80 80 VAL CA C 80 61.093 61.093 61.040 0.053 19311 5709 1 8 . 1 1 80 80 VAL CB C 80 34.048 34.048 34.280 -0.232 19311 5710 1 8 . 1 1 80 80 VAL H H 80 7.478 7.478 7.897 -0.419 19311 5711 1 8 . 1 1 81 81 TYR N N 81 128.065 128.065 126.766 1.299 19311 5712 1 8 . 1 1 81 81 TYR C C 81 175.948 175.948 174.687 1.261 19311 5713 1 8 . 1 1 81 81 TYR CA C 81 57.836 57.836 56.452 1.384 19311 5714 1 8 . 1 1 81 81 TYR CB C 81 37.594 37.594 40.180 -2.586 19311 5715 1 8 . 1 1 81 81 TYR H H 81 8.851 8.851 9.292 -0.441 19311 5716 1 8 . 1 1 82 82 ALA N N 82 130.227 130.227 126.320 3.907 19311 5717 1 8 . 1 1 82 82 ALA C C 82 174.291 174.291 175.368 -1.077 19311 5718 1 8 . 1 1 82 82 ALA CA C 82 51.702 51.702 50.841 0.861 19311 5719 1 8 . 1 1 82 82 ALA CB C 82 24.004 24.004 22.870 1.134 19311 5720 1 8 . 1 1 82 82 ALA H H 82 9.673 9.673 9.348 0.325 19311 5721 1 8 . 1 1 83 83 SER N N 83 112.455 112.455 112.763 -0.308 19311 5722 1 8 . 1 1 83 83 SER C C 83 175.055 175.055 173.642 1.413 19311 5723 1 8 . 1 1 83 83 SER CA C 83 56.656 56.656 56.940 -0.284 19311 5724 1 8 . 1 1 83 83 SER CB C 83 65.405 65.405 66.458 -1.053 19311 5725 1 8 . 1 1 83 83 SER H H 83 8.975 8.975 8.431 0.544 19311 5726 1 8 . 1 1 84 84 ILE N N 84 115.288 115.288 115.144 0.144 19311 5727 1 8 . 1 1 84 84 ILE C C 84 173.569 173.569 173.904 -0.335 19311 5728 1 8 . 1 1 84 84 ILE CA C 84 57.822 57.822 59.129 -1.307 19311 5729 1 8 . 1 1 84 84 ILE CB C 84 41.310 41.310 42.558 -1.248 19311 5730 1 8 . 1 1 84 84 ILE H H 84 8.657 8.657 9.129 -0.472 19311 5731 1 8 . 1 1 85 85 ARG N N 85 116.138 116.138 125.179 -9.041 19311 5732 1 8 . 1 1 85 85 ARG C C 85 174.594 174.594 175.427 -0.833 19311 5733 1 8 . 1 1 85 85 ARG CA C 85 52.721 52.721 54.885 -2.164 19311 5734 1 8 . 1 1 85 85 ARG CB C 85 33.188 33.188 33.595 -0.407 19311 5735 1 8 . 1 1 85 85 ARG H H 85 9.306 9.306 8.621 0.685 19311 5736 1 8 . 1 1 86 86 ASP N N 86 121.622 121.622 128.012 -6.390 19311 5737 1 8 . 1 1 86 86 ASP C C 86 175.804 175.804 176.172 -0.368 19311 5738 1 8 . 1 1 86 86 ASP CA C 86 51.666 51.666 53.176 -1.510 19311 5739 1 8 . 1 1 86 86 ASP CB C 86 38.969 38.969 41.216 -2.247 19311 5740 1 8 . 1 1 86 86 ASP H H 86 7.506 7.506 8.256 -0.750 19311 5741 1 8 . 1 1 87 87 SER N N 87 109.487 109.487 113.475 -3.988 19311 5742 1 8 . 1 1 87 87 SER C C 87 174.343 174.343 173.764 0.579 19311 5743 1 8 . 1 1 87 87 SER CA C 87 59.775 59.775 59.330 0.445 19311 5744 1 8 . 1 1 87 87 SER CB C 87 62.824 62.824 63.398 -0.573 19311 5745 1 8 . 1 1 87 87 SER H H 87 6.452 6.452 8.471 -2.019 19311 5746 1 8 . 1 1 88 88 SER N N 88 117.714 117.714 115.609 2.105 19311 5747 1 8 . 1 1 88 88 SER C C 88 172.322 172.322 172.949 -0.627 19311 5748 1 8 . 1 1 88 88 SER CA C 88 60.625 60.625 58.994 1.631 19311 5749 1 8 . 1 1 88 88 SER CB C 88 66.392 66.392 64.949 1.443 19311 5750 1 8 . 1 1 88 88 SER H H 88 8.852 8.852 8.459 0.393 19311 5751 1 8 . 1 1 89 89 HIS N N 89 121.987 121.987 119.354 2.633 19311 5752 1 8 . 1 1 89 89 HIS C C 89 173.253 173.253 173.334 -0.081 19311 5753 1 8 . 1 1 89 89 HIS CA C 89 55.530 55.530 54.432 1.098 19311 5754 1 8 . 1 1 89 89 HIS CB C 89 36.622 36.622 33.735 2.887 19311 5755 1 8 . 1 1 89 89 HIS H H 89 9.568 9.568 8.662 0.906 19311 5756 1 8 . 1 1 90 90 GLN N N 90 112.816 112.816 121.640 -8.824 19311 5757 1 8 . 1 1 90 90 GLN C C 90 175.640 175.640 173.978 1.662 19311 5758 1 8 . 1 1 90 90 GLN CA C 90 53.060 53.060 54.724 -1.664 19311 5759 1 8 . 1 1 90 90 GLN CB C 90 32.977 32.977 31.314 1.663 19311 5760 1 8 . 1 1 90 90 GLN H H 90 7.942 7.942 8.906 -0.964 19311 5761 1 8 . 1 1 91 91 ILE N N 91 119.354 119.354 122.951 -3.597 19311 5762 1 8 . 1 1 91 91 ILE C C 91 172.309 172.309 173.381 -1.072 19311 5763 1 8 . 1 1 91 91 ILE CA C 91 61.019 61.019 59.724 1.295 19311 5764 1 8 . 1 1 91 91 ILE CB C 91 41.077 41.077 42.413 -1.336 19311 5765 1 8 . 1 1 91 91 ILE H H 91 8.937 8.937 9.030 -0.093 19311 5766 1 8 . 1 1 92 92 LEU N N 92 125.414 125.414 126.811 -1.397 19311 5767 1 8 . 1 1 92 92 LEU C C 92 175.848 175.848 175.556 0.292 19311 5768 1 8 . 1 1 92 92 LEU CA C 92 55.084 55.084 55.138 -0.054 19311 5769 1 8 . 1 1 92 92 LEU CB C 92 40.637 40.637 42.128 -1.491 19311 5770 1 8 . 1 1 92 92 LEU H H 92 7.192 7.192 8.573 -1.381 19311 5771 1 8 . 1 1 93 93 VAL N N 93 116.666 116.666 120.624 -3.958 19311 5772 1 8 . 1 1 93 93 VAL C C 93 173.013 173.013 173.406 -0.393 19311 5773 1 8 . 1 1 93 93 VAL CA C 93 58.637 58.637 59.666 -1.029 19311 5774 1 8 . 1 1 93 93 VAL CB C 93 35.844 35.844 35.339 0.505 19311 5775 1 8 . 1 1 93 93 VAL H H 93 9.225 9.225 9.120 0.105 19311 5776 1 8 . 1 1 94 94 GLU N N 94 124.248 124.248 127.758 -3.510 19311 5777 1 8 . 1 1 94 94 GLU CA C 94 53.418 53.418 53.580 -0.162 19311 5778 1 8 . 1 1 94 94 GLU CB C 94 32.133 32.133 33.514 -1.381 19311 5779 1 8 . 1 1 94 94 GLU H H 94 8.549 8.549 8.817 -0.268 19311 5780 1 8 . 1 1 95 95 PHE C C 95 175.472 175.472 176.143 -0.671 19311 5781 1 8 . 1 1 95 95 PHE CA C 95 56.710 56.710 56.477 0.233 19311 5782 1 8 . 1 1 95 95 PHE CB C 95 38.774 38.774 40.487 -1.713 19311 5783 1 8 . 1 1 96 96 SER N N 96 119.651 119.651 119.335 0.316 19311 5784 1 8 . 1 1 96 96 SER C C 96 173.024 173.024 175.714 -2.690 19311 5785 1 8 . 1 1 96 96 SER CA C 96 57.233 57.233 57.562 -0.329 19311 5786 1 8 . 1 1 96 96 SER CB C 96 65.249 65.249 65.017 0.231 19311 5787 1 8 . 1 1 96 96 SER H H 96 8.203 8.203 8.653 -0.450 19311 5788 1 8 . 1 1 97 97 GLN N N 97 120.894 120.894 121.956 -1.062 19311 5789 1 8 . 1 1 97 97 GLN C C 97 179.424 179.424 178.293 1.131 19311 5790 1 8 . 1 1 97 97 GLN CA C 97 58.799 58.799 59.688 -0.888 19311 5791 1 8 . 1 1 97 97 GLN CB C 97 26.863 26.863 28.636 -1.773 19311 5792 1 8 . 1 1 97 97 GLN H H 97 8.949 8.949 8.899 0.050 19311 5793 1 8 . 1 1 98 98 GLU N N 98 121.467 121.467 119.408 2.059 19311 5794 1 8 . 1 1 98 98 GLU C C 98 177.401 177.401 178.272 -0.871 19311 5795 1 8 . 1 1 98 98 GLU CA C 98 59.056 59.056 59.410 -0.354 19311 5796 1 8 . 1 1 98 98 GLU CB C 98 28.654 28.654 29.429 -0.775 19311 5797 1 8 . 1 1 98 98 GLU H H 98 8.759 8.759 8.503 0.256 19311 5798 1 8 . 1 1 99 99 CYS N N 99 122.363 122.363 119.601 2.762 19311 5799 1 8 . 1 1 99 99 CYS C C 99 178.667 178.667 177.283 1.384 19311 5800 1 8 . 1 1 99 99 CYS CA C 99 61.683 61.683 63.170 -1.487 19311 5801 1 8 . 1 1 99 99 CYS CB C 99 27.002 27.002 26.783 0.219 19311 5802 1 8 . 1 1 99 99 CYS H H 99 8.194 8.194 8.123 0.071 19311 5803 1 8 . 1 1 100 100 VAL N N 100 120.067 120.067 119.160 0.907 19311 5804 1 8 . 1 1 100 100 VAL C C 100 178.191 178.191 177.895 0.296 19311 5805 1 8 . 1 1 100 100 VAL CA C 100 66.503 66.503 66.742 -0.239 19311 5806 1 8 . 1 1 100 100 VAL CB C 100 31.299 31.299 31.601 -0.302 19311 5807 1 8 . 1 1 100 100 VAL H H 100 8.584 8.584 8.165 0.419 19311 5808 1 8 . 1 1 101 101 SER N N 101 117.155 117.155 116.142 1.013 19311 5809 1 8 . 1 1 101 101 SER C C 101 177.930 177.930 176.566 1.364 19311 5810 1 8 . 1 1 101 101 SER CA C 101 61.182 61.182 61.367 -0.185 19311 5811 1 8 . 1 1 101 101 SER CB C 101 62.112 62.112 62.586 -0.474 19311 5812 1 8 . 1 1 101 101 SER H H 101 8.685 8.685 8.286 0.399 19311 5813 1 8 . 1 1 102 102 ASN N N 102 120.931 120.931 120.281 0.650 19311 5814 1 8 . 1 1 102 102 ASN C C 102 178.047 178.047 177.554 0.493 19311 5815 1 8 . 1 1 102 102 ASN CA C 102 56.108 56.108 55.895 0.213 19311 5816 1 8 . 1 1 102 102 ASN CB C 102 37.456 37.456 37.989 -0.533 19311 5817 1 8 . 1 1 102 102 ASN H H 102 8.638 8.638 8.187 0.451 19311 5818 1 8 . 1 1 103 103 PHE N N 103 124.907 124.907 122.127 2.780 19311 5819 1 8 . 1 1 103 103 PHE C C 103 177.886 177.886 177.614 0.272 19311 5820 1 8 . 1 1 103 103 PHE CA C 103 61.734 61.734 61.679 0.055 19311 5821 1 8 . 1 1 103 103 PHE CB C 103 38.976 38.976 39.248 -0.272 19311 5822 1 8 . 1 1 103 103 PHE H H 103 8.495 8.495 8.788 -0.293 19311 5823 1 8 . 1 1 104 104 GLU N N 104 120.930 120.930 120.444 0.486 19311 5824 1 8 . 1 1 104 104 GLU C C 104 180.036 180.036 179.174 0.862 19311 5825 1 8 . 1 1 104 104 GLU CA C 104 59.070 59.070 59.329 -0.259 19311 5826 1 8 . 1 1 104 104 GLU CB C 104 28.323 28.323 29.792 -1.469 19311 5827 1 8 . 1 1 104 104 GLU H H 104 8.614 8.614 8.435 0.179 19311 5828 1 8 . 1 1 105 105 ARG N N 105 119.201 119.201 117.801 1.400 19311 5829 1 8 . 1 1 105 105 ARG C C 105 178.097 178.097 178.633 -0.536 19311 5830 1 8 . 1 1 105 105 ARG CA C 105 58.179 58.179 58.848 -0.669 19311 5831 1 8 . 1 1 105 105 ARG CB C 105 29.305 29.305 30.186 -0.881 19311 5832 1 8 . 1 1 105 105 ARG H H 105 7.976 7.976 7.951 0.025 19311 5833 1 8 . 1 1 106 106 THR N N 106 114.725 114.725 113.182 1.543 19311 5834 1 8 . 1 1 106 106 THR C C 106 175.323 175.323 175.767 -0.444 19311 5835 1 8 . 1 1 106 106 THR CA C 106 65.164 65.164 65.602 -0.438 19311 5836 1 8 . 1 1 106 106 THR CB C 106 68.964 68.964 68.861 0.103 19311 5837 1 8 . 1 1 106 106 THR H H 106 7.744 7.744 7.813 -0.069 19311 5838 1 8 . 1 1 107 107 HIS N N 107 116.911 116.911 115.672 1.239 19311 5839 1 8 . 1 1 107 107 HIS C C 107 174.769 174.769 174.417 0.352 19311 5840 1 8 . 1 1 107 107 HIS CA C 107 56.636 56.636 56.621 0.015 19311 5841 1 8 . 1 1 107 107 HIS CB C 107 29.833 29.833 30.616 -0.783 19311 5842 1 8 . 1 1 107 107 HIS H H 107 8.033 8.033 7.654 0.379 19311 5843 1 8 . 1 1 108 108 ASN N N 108 118.204 118.204 117.157 1.047 19311 5844 1 8 . 1 1 108 108 ASN C C 108 173.328 173.328 174.338 -1.010 19311 5845 1 8 . 1 1 108 108 ASN CA C 108 53.859 53.859 54.603 -0.744 19311 5846 1 8 . 1 1 108 108 ASN CB C 108 36.623 36.623 36.107 0.516 19311 5847 1 8 . 1 1 108 108 ASN H H 108 8.135 8.135 8.325 -0.190 19311 5848 1 8 . 1 1 109 109 CYS N N 109 111.643 111.643 112.348 -0.705 19311 5849 1 8 . 1 1 109 109 CYS C C 109 171.934 171.934 172.996 -1.062 19311 5850 1 8 . 1 1 109 109 CYS CA C 109 55.233 55.233 56.195 -0.962 19311 5851 1 8 . 1 1 109 109 CYS CB C 109 29.518 29.518 30.617 -1.099 19311 5852 1 8 . 1 1 109 109 CYS H H 109 7.493 7.493 7.411 0.082 19311 5853 1 8 . 1 1 110 110 ARG N N 110 117.680 117.680 119.405 -1.725 19311 5854 1 8 . 1 1 110 110 ARG C C 110 179.018 179.018 178.074 0.944 19311 5855 1 8 . 1 1 110 110 ARG CA C 110 54.914 54.914 55.373 -0.459 19311 5856 1 8 . 1 1 110 110 ARG CB C 110 30.252 30.252 31.343 -1.091 19311 5857 1 8 . 1 1 110 110 ARG H H 110 8.271 8.271 8.070 0.201 19311 5858 1 8 . 1 1 111 111 ILE N N 111 124.684 124.684 120.081 4.603 19311 5859 1 8 . 1 1 111 111 ILE CA C 111 63.115 63.115 63.052 0.063 19311 5860 1 8 . 1 1 111 111 ILE CB C 111 37.530 37.530 37.440 0.090 19311 5861 1 8 . 1 1 111 111 ILE H H 111 9.551 9.551 8.706 0.845 19311 5862 1 8 . 1 1 112 112 THR N N 112 106.975 106.975 108.068 -1.093 19311 5863 1 8 . 1 1 112 112 THR C C 112 175.160 175.160 175.075 0.085 19311 5864 1 8 . 1 1 112 112 THR CA C 112 60.029 60.029 62.141 -2.112 19311 5865 1 8 . 1 1 112 112 THR CB C 112 67.949 67.949 68.727 -0.778 19311 5866 1 8 . 1 1 112 112 THR H H 112 6.484 6.484 7.680 -1.196 19311 5867 1 8 . 1 1 113 113 SER N N 113 118.281 118.281 119.187 -0.906 19311 5868 1 8 . 1 1 113 113 SER C C 113 173.813 173.813 174.377 -0.564 19311 5869 1 8 . 1 1 113 113 SER CA C 113 58.470 58.470 60.214 -1.744 19311 5870 1 8 . 1 1 113 113 SER CB C 113 62.730 62.730 62.358 0.372 19311 5871 1 8 . 1 1 113 113 SER H H 113 7.446 7.446 7.539 -0.093 19311 5872 1 8 . 1 1 114 114 GLU N N 114 121.273 121.273 120.338 0.935 19311 5873 1 8 . 1 1 114 114 GLU CA C 114 56.911 56.911 57.553 -0.642 19311 5874 1 8 . 1 1 114 114 GLU CB C 114 27.463 27.463 27.737 -0.274 19311 5875 1 8 . 1 1 114 114 GLU H H 114 8.350 8.350 8.522 -0.172 19311 5876 1 8 . 1 1 115 115 THR N N 115 109.184 109.184 107.296 1.888 19311 5877 1 8 . 1 1 115 115 THR C C 115 177.031 177.031 176.614 0.417 19311 5878 1 8 . 1 1 115 115 THR CA C 115 61.908 61.908 62.967 -1.059 19311 5879 1 8 . 1 1 115 115 THR CB C 115 69.072 69.072 69.123 -0.051 19311 5880 1 8 . 1 1 115 115 THR H H 115 7.689 7.689 7.921 -0.232 19311 5881 1 8 . 1 1 116 116 THR N N 116 115.339 115.339 118.869 -3.530 19311 5882 1 8 . 1 1 116 116 THR C C 116 175.023 175.023 174.565 0.458 19311 5883 1 8 . 1 1 116 116 THR CA C 116 63.834 63.834 67.113 -3.279 19311 5884 1 8 . 1 1 116 116 THR CB C 116 68.130 68.130 68.686 -0.556 19311 5885 1 8 . 1 1 116 116 THR H H 116 7.979 7.979 8.534 -0.555 19311 5886 1 8 . 1 1 117 117 ASN N N 117 118.558 118.558 114.886 3.672 19311 5887 1 8 . 1 1 117 117 ASN C C 117 174.413 174.413 174.072 0.341 19311 5888 1 8 . 1 1 117 117 ASN CA C 117 53.549 53.549 51.793 1.756 19311 5889 1 8 . 1 1 117 117 ASN CB C 117 37.548 37.548 37.346 0.202 19311 5890 1 8 . 1 1 117 117 ASN H H 117 8.295 8.295 8.371 -0.076 19311 5891 1 8 . 1 1 118 118 CYS N N 118 116.611 116.611 119.098 -2.487 19311 5892 1 8 . 1 1 118 118 CYS C C 118 174.430 174.430 173.607 0.823 19311 5893 1 8 . 1 1 118 118 CYS CA C 118 58.206 58.206 58.410 -0.204 19311 5894 1 8 . 1 1 118 118 CYS CB C 118 28.866 28.866 31.690 -2.824 19311 5895 1 8 . 1 1 118 118 CYS H H 118 7.548 7.548 7.902 -0.354 19311 5896 1 8 . 1 1 119 119 LEU N N 119 125.613 125.613 122.718 2.895 19311 5897 1 8 . 1 1 119 119 LEU C C 119 174.612 174.612 174.969 -0.357 19311 5898 1 8 . 1 1 119 119 LEU CA C 119 54.869 54.869 53.999 0.870 19311 5899 1 8 . 1 1 119 119 LEU CB C 119 42.394 42.394 45.792 -3.398 19311 5900 1 8 . 1 1 119 119 LEU H H 119 8.840 8.840 8.959 -0.119 19311 5901 1 8 . 1 1 120 120 MET N N 120 128.079 128.079 126.449 1.630 19311 5902 1 8 . 1 1 120 120 MET C C 120 174.384 174.384 174.423 -0.039 19311 5903 1 8 . 1 1 120 120 MET CA C 120 53.292 53.292 55.428 -2.136 19311 5904 1 8 . 1 1 120 120 MET H H 120 9.274 9.274 8.854 0.420 19311 5905 1 8 . 1 1 121 121 ILE N N 121 120.093 120.093 125.739 -5.646 19311 5906 1 8 . 1 1 121 121 ILE C C 121 176.479 176.479 175.625 0.854 19311 5907 1 8 . 1 1 121 121 ILE CA C 121 55.536 55.536 58.322 -2.786 19311 5908 1 8 . 1 1 121 121 ILE CB C 121 36.335 36.335 38.014 -1.679 19311 5909 1 8 . 1 1 121 121 ILE H H 121 8.527 8.527 9.064 -0.537 19311 5910 1 8 . 1 1 122 122 ILE N N 122 119.127 119.127 121.612 -2.485 19311 5911 1 8 . 1 1 122 122 ILE C C 122 174.904 174.904 175.050 -0.146 19311 5912 1 8 . 1 1 122 122 ILE CA C 122 57.790 57.790 58.517 -0.726 19311 5913 1 8 . 1 1 122 122 ILE CB C 122 41.605 41.605 41.383 0.222 19311 5914 1 8 . 1 1 122 122 ILE H H 122 8.913 8.913 8.678 0.235 19311 5915 1 8 . 1 1 123 123 GLY N N 123 106.647 106.647 108.871 -2.224 19311 5916 1 8 . 1 1 123 123 GLY C C 123 170.571 170.571 172.577 -2.006 19311 5917 1 8 . 1 1 123 123 GLY CA C 123 43.698 43.698 44.833 -1.135 19311 5918 1 8 . 1 1 123 123 GLY H H 123 8.373 8.373 8.604 -0.231 19311 5919 1 8 . 1 1 124 124 ASP N N 124 119.021 119.021 119.672 -0.651 19311 5920 1 8 . 1 1 124 124 ASP C C 124 174.481 174.481 174.420 0.061 19311 5921 1 8 . 1 1 124 124 ASP CA C 124 53.993 53.993 55.019 -1.026 19311 5922 1 8 . 1 1 124 124 ASP CB C 124 39.163 39.163 40.245 -1.082 19311 5923 1 8 . 1 1 124 124 ASP H H 124 7.712 7.712 8.276 -0.564 19311 5924 1 8 . 1 1 125 125 ALA N N 125 122.997 122.997 123.750 -0.753 19311 5925 1 8 . 1 1 125 125 ALA C C 125 175.798 175.798 176.070 -0.272 19311 5926 1 8 . 1 1 125 125 ALA CA C 125 49.258 49.258 50.146 -0.888 19311 5927 1 8 . 1 1 125 125 ALA CB C 125 23.466 23.466 22.636 0.830 19311 5928 1 8 . 1 1 125 125 ALA H H 125 8.502 8.502 7.539 0.963 19311 5929 1 8 . 1 1 126 126 ASP N N 126 121.643 121.643 124.408 -2.765 19311 5930 1 8 . 1 1 126 126 ASP C C 126 174.129 174.129 175.376 -1.247 19311 5931 1 8 . 1 1 126 126 ASP CA C 126 51.984 51.984 53.185 -1.201 19311 5932 1 8 . 1 1 126 126 ASP CB C 126 43.380 43.380 44.319 -0.939 19311 5933 1 8 . 1 1 126 126 ASP H H 126 8.656 8.656 8.801 -0.145 19311 5934 1 8 . 1 1 127 127 LEU N N 127 124.869 124.869 126.161 -1.292 19311 5935 1 8 . 1 1 127 127 LEU C C 127 175.007 175.007 175.455 -0.448 19311 5936 1 8 . 1 1 127 127 LEU CA C 127 53.944 53.944 55.328 -1.384 19311 5937 1 8 . 1 1 127 127 LEU CB C 127 43.759 43.759 42.461 1.298 19311 5938 1 8 . 1 1 127 127 LEU H H 127 8.886 8.886 8.558 0.328 19311 5939 1 8 . 1 1 128 128 VAL N N 128 122.817 122.817 120.273 2.544 19311 5940 1 8 . 1 1 128 128 VAL C C 128 173.242 173.242 173.925 -0.683 19311 5941 1 8 . 1 1 128 128 VAL CA C 128 58.875 58.875 59.791 -0.916 19311 5942 1 8 . 1 1 128 128 VAL CB C 128 34.062 34.062 34.769 -0.707 19311 5943 1 8 . 1 1 128 128 VAL H H 128 8.737 8.737 8.707 0.030 19311 5944 1 8 . 1 1 129 129 TYR N N 129 120.375 120.375 115.384 4.991 19311 5945 1 8 . 1 1 129 129 TYR C C 129 176.280 176.280 173.491 2.789 19311 5946 1 8 . 1 1 129 129 TYR CA C 129 57.265 57.265 56.442 0.823 19311 5947 1 8 . 1 1 129 129 TYR CB C 129 38.931 38.931 41.041 -2.110 19311 5948 1 8 . 1 1 129 129 TYR H H 129 8.585 8.585 7.867 0.718 19311 5949 1 8 . 1 1 130 130 VAL N N 130 121.466 121.466 122.303 -0.837 19311 5950 1 8 . 1 1 130 130 VAL C C 130 174.139 174.139 174.516 -0.377 19311 5951 1 8 . 1 1 130 130 VAL CA C 130 59.324 59.324 59.719 -0.395 19311 5952 1 8 . 1 1 130 130 VAL CB C 130 34.193 34.193 35.603 -1.410 19311 5953 1 8 . 1 1 130 130 VAL H H 130 8.851 8.851 9.020 -0.169 19311 5954 1 8 . 1 1 131 131 THR N N 131 113.648 113.648 118.088 -4.440 19311 5955 1 8 . 1 1 131 131 THR C C 131 175.861 175.861 175.339 0.522 19311 5956 1 8 . 1 1 131 131 THR CA C 131 59.748 59.748 60.697 -0.949 19311 5957 1 8 . 1 1 131 131 THR CB C 131 70.864 70.864 70.650 0.214 19311 5958 1 8 . 1 1 131 131 THR H H 131 7.768 7.768 8.312 -0.544 19311 5959 1 8 . 1 1 132 132 ASN N N 132 119.407 119.407 120.253 -0.846 19311 5960 1 8 . 1 1 132 132 ASN CA C 132 56.643 56.643 57.129 -0.486 19311 5961 1 8 . 1 1 132 132 ASN CB C 132 38.269 38.269 38.467 -0.198 19311 5962 1 8 . 1 1 132 132 ASN H H 132 8.518 8.518 8.487 0.031 19311 5963 1 8 . 1 1 133 133 SER C C 133 176.763 176.763 176.443 0.320 19311 5964 1 8 . 1 1 133 133 SER CA C 133 61.287 61.287 61.320 -0.033 19311 5965 1 8 . 1 1 134 134 ARG N N 134 124.193 124.193 122.419 1.774 19311 5966 1 8 . 1 1 134 134 ARG C C 134 178.393 178.393 178.330 0.063 19311 5967 1 8 . 1 1 134 134 ARG CA C 134 57.034 57.034 59.163 -2.129 19311 5968 1 8 . 1 1 134 134 ARG CB C 134 29.051 29.051 30.263 -1.212 19311 5969 1 8 . 1 1 134 134 ARG H H 134 7.333 7.333 7.691 -0.358 19311 5970 1 8 . 1 1 135 135 ALA N N 135 124.165 124.165 121.429 2.736 19311 5971 1 8 . 1 1 135 135 ALA C C 135 180.063 180.063 179.983 0.080 19311 5972 1 8 . 1 1 135 135 ALA CA C 135 55.239 55.239 55.089 0.150 19311 5973 1 8 . 1 1 135 135 ALA CB C 135 16.063 16.063 18.451 -2.389 19311 5974 1 8 . 1 1 135 135 ALA H H 135 8.656 8.656 8.384 0.272 19311 5975 1 8 . 1 1 136 136 MET N N 136 117.770 117.770 116.395 1.375 19311 5976 1 8 . 1 1 136 136 MET C C 136 178.837 178.837 177.990 0.847 19311 5977 1 8 . 1 1 136 136 MET CA C 136 58.214 58.214 58.826 -0.612 19311 5978 1 8 . 1 1 136 136 MET CB C 136 31.493 31.493 32.688 -1.194 19311 5979 1 8 . 1 1 136 136 MET H H 136 8.211 8.211 7.931 0.280 19311 5980 1 8 . 1 1 137 137 SER N N 137 114.607 114.607 114.069 0.538 19311 5981 1 8 . 1 1 137 137 SER C C 137 176.196 176.196 175.851 0.345 19311 5982 1 8 . 1 1 137 137 SER CA C 137 60.589 60.589 59.921 0.668 19311 5983 1 8 . 1 1 137 137 SER CB C 137 62.236 62.236 63.595 -1.359 19311 5984 1 8 . 1 1 137 137 SER H H 137 8.021 8.021 8.035 -0.014 19311 5985 1 8 . 1 1 138 138 HIS N N 138 120.793 120.793 118.653 2.140 19311 5986 1 8 . 1 1 138 138 HIS C C 138 174.530 174.530 174.974 -0.444 19311 5987 1 8 . 1 1 138 138 HIS CA C 138 58.296 58.296 57.776 0.520 19311 5988 1 8 . 1 1 138 138 HIS CB C 138 29.593 29.593 30.457 -0.865 19311 5989 1 8 . 1 1 138 138 HIS H H 138 8.462 8.462 8.017 0.445 19311 5990 1 8 . 1 1 139 139 PHE N N 139 114.046 114.046 114.979 -0.933 19311 5991 1 8 . 1 1 139 139 PHE C C 139 173.540 173.540 175.787 -2.247 19311 5992 1 8 . 1 1 139 139 PHE CA C 139 58.722 58.722 58.758 -0.036 19311 5993 1 8 . 1 1 139 139 PHE CB C 139 38.583 38.583 40.222 -1.639 19311 5994 1 8 . 1 1 139 139 PHE H H 139 7.466 7.466 7.782 -0.316 19311 5995 1 8 . 1 1 140 140 LYS N N 140 110.734 110.734 115.554 -4.820 19311 5996 1 8 . 1 1 140 140 LYS C C 140 175.951 175.951 175.119 0.832 19311 5997 1 8 . 1 1 140 140 LYS CA C 140 56.106 56.106 57.161 -1.055 19311 5998 1 8 . 1 1 140 140 LYS CB C 140 27.887 27.887 29.574 -1.687 19311 5999 1 8 . 1 1 140 140 LYS H H 140 7.141 7.141 8.174 -1.033 19311 6000 1 8 . 1 1 141 141 ILE N N 141 114.716 114.716 119.605 -4.889 19311 6001 1 8 . 1 1 141 141 ILE C C 141 173.514 173.514 174.510 -0.996 19311 6002 1 8 . 1 1 141 141 ILE CA C 141 58.801 58.801 59.793 -0.992 19311 6003 1 8 . 1 1 141 141 ILE CB C 141 41.595 41.595 39.720 1.875 19311 6004 1 8 . 1 1 141 141 ILE H H 141 7.309 7.309 7.865 -0.556 19311 6005 1 8 . 1 1 142 142 SER N N 142 115.031 115.031 120.910 -5.879 19311 6006 1 8 . 1 1 142 142 SER C C 142 176.437 176.437 174.378 2.059 19311 6007 1 8 . 1 1 142 142 SER CA C 142 55.685 55.685 58.316 -2.631 19311 6008 1 8 . 1 1 142 142 SER CB C 142 62.911 62.911 63.466 -0.555 19311 6009 1 8 . 1 1 142 142 SER H H 142 7.814 7.814 8.294 -0.480 19311 6010 1 8 . 1 1 143 143 LEU N N 143 127.405 127.405 127.401 0.004 19311 6011 1 8 . 1 1 143 143 LEU C C 143 178.496 178.496 178.473 0.023 19311 6012 1 8 . 1 1 143 143 LEU CA C 143 56.183 56.183 56.236 -0.053 19311 6013 1 8 . 1 1 143 143 LEU CB C 143 40.186 40.186 42.357 -2.171 19311 6014 1 8 . 1 1 143 143 LEU H H 143 8.735 8.735 9.239 -0.504 19311 6015 1 8 . 1 1 144 144 SER N N 144 114.479 114.479 113.926 0.553 19311 6016 1 8 . 1 1 144 144 SER CA C 144 60.242 60.242 61.011 -0.769 19311 6017 1 8 . 1 1 144 144 SER CB C 144 61.694 61.694 63.002 -1.308 19311 6018 1 8 . 1 1 144 144 SER H H 144 8.140 8.140 8.775 -0.635 19311 6019 1 8 . 1 1 145 145 ASN N N 145 117.299 117.299 117.952 -0.653 19311 6020 1 8 . 1 1 145 145 ASN C C 145 175.940 175.940 174.811 1.129 19311 6021 1 8 . 1 1 145 145 ASN CA C 145 54.269 54.269 53.748 0.521 19311 6022 1 8 . 1 1 145 145 ASN CB C 145 38.284 38.284 39.861 -1.577 19311 6023 1 8 . 1 1 145 145 ASN H H 145 7.735 7.735 7.877 -0.142 19311 6024 1 8 . 1 1 146 146 ILE N N 146 112.479 112.479 113.076 -0.597 19311 6025 1 8 . 1 1 146 146 ILE C C 146 174.155 174.155 175.227 -1.072 19311 6026 1 8 . 1 1 146 146 ILE CA C 146 60.838 60.838 60.978 -0.140 19311 6027 1 8 . 1 1 146 146 ILE CB C 146 39.123 39.123 39.547 -0.424 19311 6028 1 8 . 1 1 146 146 ILE H H 146 7.489 7.489 7.373 0.116 19311 6029 1 8 . 1 1 147 147 SER N N 147 114.961 114.961 115.898 -0.937 19311 6030 1 8 . 1 1 147 147 SER CA C 147 56.770 56.770 56.076 0.694 19311 6031 1 8 . 1 1 147 147 SER CB C 147 64.077 64.077 65.393 -1.316 19311 6032 1 8 . 1 1 147 147 SER H H 147 7.794 7.794 7.628 0.166 19311 6033 1 8 . 1 1 148 148 SER C C 148 174.292 174.292 173.920 0.372 19311 6034 1 8 . 1 1 148 148 SER CA C 148 58.192 58.192 59.534 -1.342 19311 6035 1 8 . 1 1 148 148 SER CB C 148 62.840 62.840 63.477 -0.638 19311 6036 1 8 . 1 1 149 149 LYS N N 149 122.096 122.096 120.777 1.319 19311 6037 1 8 . 1 1 149 149 LYS CA C 149 54.607 54.607 54.145 0.462 19311 6038 1 8 . 1 1 149 149 LYS CB C 149 33.707 33.707 34.007 -0.300 19311 6039 1 8 . 1 1 149 149 LYS H H 149 8.049 8.049 7.086 0.963 19311 6040 1 8 . 1 1 150 150 GLU N N 150 120.070 120.070 121.007 -0.937 19311 6041 1 8 . 1 1 150 150 GLU C C 150 174.162 174.162 175.585 -1.423 19311 6042 1 8 . 1 1 150 150 GLU CA C 150 56.703 56.703 57.595 -0.892 19311 6043 1 8 . 1 1 150 150 GLU CB C 150 29.037 29.037 29.788 -0.751 19311 6044 1 8 . 1 1 150 150 GLU H H 150 8.613 8.613 8.690 -0.077 19311 6045 1 8 . 1 1 151 151 ILE N N 151 118.006 118.006 118.520 -0.514 19311 6046 1 8 . 1 1 151 151 ILE C C 151 175.069 175.069 174.651 0.418 19311 6047 1 8 . 1 1 151 151 ILE CA C 151 59.088 59.088 60.065 -0.977 19311 6048 1 8 . 1 1 151 151 ILE CB C 151 39.773 39.773 41.296 -1.523 19311 6049 1 8 . 1 1 151 151 ILE H H 151 6.873 6.873 7.301 -0.428 19311 6050 1 8 . 1 1 152 152 VAL N N 152 117.278 117.278 124.363 -7.085 19311 6051 1 8 . 1 1 152 152 VAL CA C 152 56.340 56.340 58.035 -1.695 19311 6052 1 8 . 1 1 152 152 VAL CB C 152 33.340 33.340 35.112 -1.772 19311 6053 1 8 . 1 1 152 152 VAL H H 152 8.401 8.401 8.852 -0.451 19311 6054 1 8 . 1 1 153 153 PRO C C 153 175.090 175.090 175.543 -0.453 19311 6055 1 8 . 1 1 153 153 PRO CA C 153 60.885 60.885 62.773 -1.888 19311 6056 1 8 . 1 1 153 153 PRO CB C 153 31.113 31.113 32.078 -0.965 19311 6057 1 8 . 1 1 154 154 VAL N N 154 124.951 124.951 119.346 5.605 19311 6058 1 8 . 1 1 154 154 VAL C C 154 174.325 174.325 175.108 -0.783 19311 6059 1 8 . 1 1 154 154 VAL CA C 154 59.700 59.700 60.102 -0.403 19311 6060 1 8 . 1 1 154 154 VAL CB C 154 35.364 35.364 36.490 -1.126 19311 6061 1 8 . 1 1 154 154 VAL H H 154 9.206 9.206 8.530 0.676 19311 6062 1 8 . 1 1 155 155 LEU N N 155 122.272 122.272 125.074 -2.802 19311 6063 1 8 . 1 1 155 155 LEU C C 155 174.865 174.865 175.558 -0.693 19311 6064 1 8 . 1 1 155 155 LEU CA C 155 52.543 52.543 53.811 -1.268 19311 6065 1 8 . 1 1 155 155 LEU CB C 155 43.016 43.016 42.477 0.539 19311 6066 1 8 . 1 1 155 155 LEU H H 155 7.818 7.818 8.456 -0.638 19311 6067 1 8 . 1 1 156 156 ASN N N 156 126.663 126.663 124.184 2.479 19311 6068 1 8 . 1 1 156 156 ASN C C 156 174.956 174.956 174.660 0.296 19311 6069 1 8 . 1 1 156 156 ASN CA C 156 51.381 51.381 51.736 -0.355 19311 6070 1 8 . 1 1 156 156 ASN CB C 156 38.588 38.588 38.912 -0.324 19311 6071 1 8 . 1 1 156 156 ASN H H 156 9.256 9.256 8.949 0.307 19311 6072 1 8 . 1 1 157 157 VAL N N 157 126.547 126.547 126.563 -0.016 19311 6073 1 8 . 1 1 157 157 VAL C C 157 174.990 174.990 174.585 0.405 19311 6074 1 8 . 1 1 157 157 VAL CA C 157 62.737 62.737 62.653 0.084 19311 6075 1 8 . 1 1 157 157 VAL CB C 157 33.901 33.901 32.581 1.320 19311 6076 1 8 . 1 1 157 157 VAL H H 157 8.730 8.730 8.775 -0.045 19311 6077 1 8 . 1 1 158 158 ASN N N 158 122.925 122.925 125.270 -2.345 19311 6078 1 8 . 1 1 158 158 ASN C C 158 174.151 174.151 174.883 -0.732 19311 6079 1 8 . 1 1 158 158 ASN CA C 158 53.155 53.155 52.696 0.459 19311 6080 1 8 . 1 1 158 158 ASN CB C 158 40.955 40.955 41.019 -0.064 19311 6081 1 8 . 1 1 158 158 ASN H H 158 8.086 8.086 8.987 -0.901 19311 6082 1 8 . 1 1 159 159 GLN N N 159 118.639 118.639 117.738 0.901 19311 6083 1 8 . 1 1 159 159 GLN C C 159 174.146 174.146 173.709 0.437 19311 6084 1 8 . 1 1 159 159 GLN CA C 159 54.960 54.960 54.451 0.509 19311 6085 1 8 . 1 1 159 159 GLN CB C 159 33.259 33.259 32.830 0.429 19311 6086 1 8 . 1 1 159 159 GLN H H 159 8.013 8.013 8.163 -0.150 19311 6087 1 8 . 1 1 160 160 ALA N N 160 121.359 121.359 125.359 -4.000 19311 6088 1 8 . 1 1 160 160 ALA C C 160 176.623 176.623 175.612 1.011 19311 6089 1 8 . 1 1 160 160 ALA CA C 160 51.336 51.336 51.365 -0.029 19311 6090 1 8 . 1 1 160 160 ALA CB C 160 20.748 20.748 22.756 -2.008 19311 6091 1 8 . 1 1 160 160 ALA H H 160 8.277 8.277 8.473 -0.196 19311 6092 1 8 . 1 1 161 161 THR N N 161 115.028 115.028 116.039 -1.011 19311 6093 1 8 . 1 1 161 161 THR CA C 161 59.988 59.988 62.035 -2.047 19311 6094 1 8 . 1 1 161 161 THR CB C 161 69.766 69.766 70.994 -1.228 19311 6095 1 8 . 1 1 161 161 THR H H 161 9.101 9.101 8.858 0.243 19311 6096 1 8 . 1 1 162 162 ILE C C 162 175.079 175.079 174.717 0.362 19311 6097 1 8 . 1 1 162 162 ILE CA C 162 62.025 62.025 60.393 1.632 19311 6098 1 8 . 1 1 162 162 ILE CB C 162 39.360 39.360 39.880 -0.520 19311 6099 1 8 . 1 1 163 163 PHE N N 163 128.730 128.730 126.532 2.198 19311 6100 1 8 . 1 1 163 163 PHE CA C 163 59.063 59.063 56.536 2.527 19311 6101 1 8 . 1 1 163 163 PHE CB C 163 39.535 39.535 43.741 -4.206 19311 6102 1 8 . 1 1 163 163 PHE H H 163 9.310 9.310 8.880 0.430 19311 6103 1 8 . 1 1 165 165 ILE C C 165 175.305 175.305 175.393 -0.088 19311 6104 1 8 . 1 1 165 165 ILE CA C 165 60.713 60.713 61.918 -1.205 19311 6105 1 8 . 1 1 165 165 ILE CB C 165 38.555 38.555 39.172 -0.617 19311 6106 1 8 . 1 1 166 166 ASP N N 166 124.971 124.971 119.437 5.534 19311 6107 1 8 . 1 1 166 166 ASP C C 166 175.583 175.583 174.399 1.184 19311 6108 1 8 . 1 1 166 166 ASP CA C 166 53.988 53.988 52.957 1.031 19311 6109 1 8 . 1 1 166 166 ASP CB C 166 41.109 41.109 42.887 -1.778 19311 6110 1 8 . 1 1 166 166 ASP H H 166 8.400 8.400 8.151 0.249 19311 6111 1 8 . 1 1 167 167 GLN N N 167 122.323 122.323 122.950 -0.627 19311 6112 1 8 . 1 1 167 167 GLN C C 167 175.699 175.699 175.635 0.064 19311 6113 1 8 . 1 1 167 167 GLN CA C 167 55.012 55.012 56.621 -1.609 19311 6114 1 8 . 1 1 167 167 GLN CB C 167 28.830 28.830 29.604 -0.773 19311 6115 1 8 . 1 1 167 167 GLN H H 167 8.379 8.379 8.567 -0.188 19311 6116 1 8 . 1 1 168 168 VAL N N 168 122.545 122.545 125.987 -3.442 19311 6117 1 8 . 1 1 168 168 VAL C C 168 176.586 176.586 176.250 0.336 19311 6118 1 8 . 1 1 168 168 VAL CA C 168 62.315 62.315 62.232 0.083 19311 6119 1 8 . 1 1 168 168 VAL CB C 168 31.976 31.976 32.742 -0.766 19311 6120 1 8 . 1 1 168 168 VAL H H 168 8.097 8.097 8.306 -0.209 19311 6121 1 8 . 1 1 169 169 GLY N N 169 112.864 112.864 112.718 0.146 19311 6122 1 8 . 1 1 169 169 GLY CA C 169 44.508 44.508 44.290 0.218 19311 6123 1 8 . 1 1 169 169 GLY H H 169 8.349 8.349 8.264 0.085 19311 6124 1 8 . 1 1 171 171 LEU C C 171 177.338 177.338 177.208 0.130 19311 6125 1 8 . 1 1 171 171 LEU CA C 171 54.598 54.598 54.781 -0.183 19311 6126 1 8 . 1 1 171 171 LEU CB C 171 40.893 40.893 43.033 -2.140 19311 6127 1 8 . 1 1 172 172 SER N N 172 117.418 117.418 122.166 -4.748 19311 6128 1 8 . 1 1 172 172 SER C C 172 172.759 172.759 174.531 -1.772 19311 6129 1 8 . 1 1 172 172 SER CA C 172 57.862 57.862 58.056 -0.195 19311 6130 1 8 . 1 1 172 172 SER CB C 172 63.116 63.116 64.189 -1.073 19311 6131 1 8 . 1 1 172 172 SER H H 172 7.985 7.985 8.592 -0.607 19311 6132 1 8 . 1 1 173 173 THR N N 173 116.665 116.665 114.873 1.792 19311 6133 1 8 . 1 1 173 173 THR C C 173 173.571 173.571 174.019 -0.448 19311 6134 1 8 . 1 1 173 173 THR CA C 173 61.126 61.126 64.185 -3.059 19311 6135 1 8 . 1 1 173 173 THR CB C 173 69.260 69.260 69.389 -0.129 19311 6136 1 8 . 1 1 173 173 THR H H 173 7.922 7.922 8.430 -0.508 19311 6137 1 8 . 1 1 174 174 PHE N N 174 125.740 125.740 114.056 11.684 19311 6138 1 8 . 1 1 174 174 PHE CA C 174 54.742 54.742 53.692 1.050 19311 6139 1 8 . 1 1 174 174 PHE CB C 174 38.364 38.364 38.522 -0.158 19311 6140 1 8 . 1 1 174 174 PHE H H 174 8.618 8.618 6.991 1.627 19311 6141 1 8 . 1 1 175 175 PRO C C 175 178.235 178.235 175.005 3.230 19311 6142 1 8 . 1 1 175 175 PRO CA C 175 61.555 61.555 63.046 -1.491 19311 6143 1 8 . 1 1 175 175 PRO CB C 175 31.606 31.606 32.131 -0.525 19311 6144 1 8 . 1 1 176 176 PHE N N 176 119.598 119.598 116.790 2.808 19311 6145 1 8 . 1 1 176 176 PHE C C 176 178.361 178.361 177.152 1.209 19311 6146 1 8 . 1 1 176 176 PHE CA C 176 59.631 59.631 58.006 1.625 19311 6147 1 8 . 1 1 176 176 PHE CB C 176 39.493 39.493 40.518 -1.025 19311 6148 1 8 . 1 1 176 176 PHE H H 176 9.179 9.179 7.973 1.206 19311 6149 1 8 . 1 1 177 177 VAL N N 177 121.283 121.283 123.118 -1.835 19311 6150 1 8 . 1 1 177 177 VAL C C 177 174.922 174.922 177.216 -2.294 19311 6151 1 8 . 1 1 177 177 VAL CA C 177 62.670 62.670 65.506 -2.836 19311 6152 1 8 . 1 1 177 177 VAL CB C 177 31.437 31.437 31.717 -0.280 19311 6153 1 8 . 1 1 177 177 VAL H H 177 9.408 9.408 7.813 1.595 19311 6154 1 8 . 1 1 178 178 TYR N N 178 116.602 116.602 116.590 0.012 19311 6155 1 8 . 1 1 178 178 TYR C C 178 176.839 176.839 176.368 0.471 19311 6156 1 8 . 1 1 178 178 TYR CA C 178 56.575 56.575 59.111 -2.536 19311 6157 1 8 . 1 1 178 178 TYR CB C 178 35.764 35.764 36.772 -1.008 19311 6158 1 8 . 1 1 178 178 TYR H H 178 6.166 6.166 8.387 -2.221 19311 6159 1 8 . 1 1 179 179 LYS N N 179 118.114 118.114 118.464 -0.350 19311 6160 1 8 . 1 1 179 179 LYS C C 179 176.384 176.384 176.884 -0.500 19311 6161 1 8 . 1 1 179 179 LYS CA C 179 57.540 57.540 57.952 -0.412 19311 6162 1 8 . 1 1 179 179 LYS CB C 179 31.024 31.024 31.895 -0.871 19311 6163 1 8 . 1 1 179 179 LYS H H 179 7.554 7.554 7.114 0.440 19311 6164 1 8 . 1 1 180 180 TYR N N 180 117.346 117.346 118.415 -1.069 19311 6165 1 8 . 1 1 180 180 TYR C C 180 174.479 174.479 174.309 0.170 19311 6166 1 8 . 1 1 180 180 TYR CA C 180 57.407 57.407 57.000 0.407 19311 6167 1 8 . 1 1 180 180 TYR CB C 180 38.020 38.020 38.330 -0.310 19311 6168 1 8 . 1 1 180 180 TYR H H 180 7.788 7.788 7.634 0.154 19311 6169 1 9 . 1 1 13 13 THR C C 13 174.300 174.300 174.851 -0.551 19311 6170 1 9 . 1 1 13 13 THR CA C 13 61.472 61.472 61.368 0.104 19311 6171 1 9 . 1 1 13 13 THR CB C 13 69.201 69.201 69.108 0.093 19311 6172 1 9 . 1 1 14 14 ASP N N 14 123.228 123.228 123.670 -0.442 19311 6173 1 9 . 1 1 14 14 ASP C C 14 176.245 176.245 177.438 -1.193 19311 6174 1 9 . 1 1 14 14 ASP CA C 14 53.996 53.996 55.177 -1.181 19311 6175 1 9 . 1 1 14 14 ASP CB C 14 41.601 41.601 41.606 -0.005 19311 6176 1 9 . 1 1 14 14 ASP H H 14 8.321 8.321 7.814 0.507 19311 6177 1 9 . 1 1 15 15 SER N N 15 115.463 115.463 116.696 -1.233 19311 6178 1 9 . 1 1 15 15 SER C C 15 175.991 175.991 176.016 -0.025 19311 6179 1 9 . 1 1 15 15 SER CA C 15 58.020 58.020 59.359 -1.339 19311 6180 1 9 . 1 1 15 15 SER CB C 15 63.080 63.080 63.161 -0.081 19311 6181 1 9 . 1 1 15 15 SER H H 15 8.403 8.403 8.665 -0.262 19311 6182 1 9 . 1 1 16 16 VAL N N 16 124.538 124.538 116.288 8.250 19311 6183 1 9 . 1 1 16 16 VAL C C 16 176.097 176.097 175.382 0.715 19311 6184 1 9 . 1 1 16 16 VAL CA C 16 62.750 62.750 63.896 -1.146 19311 6185 1 9 . 1 1 16 16 VAL CB C 16 30.859 30.859 30.940 -0.081 19311 6186 1 9 . 1 1 16 16 VAL H H 16 8.139 8.139 7.637 0.502 19311 6187 1 9 . 1 1 17 17 PHE N N 17 119.242 119.242 117.290 1.952 19311 6188 1 9 . 1 1 17 17 PHE C C 17 176.086 176.086 174.075 2.011 19311 6189 1 9 . 1 1 17 17 PHE CA C 17 58.934 58.934 57.863 1.071 19311 6190 1 9 . 1 1 17 17 PHE CB C 17 38.133 38.133 38.515 -0.382 19311 6191 1 9 . 1 1 17 17 PHE H H 17 7.575 7.575 7.102 0.473 19311 6192 1 9 . 1 1 18 18 LEU N N 18 121.292 121.292 121.852 -0.560 19311 6193 1 9 . 1 1 18 18 LEU C C 18 173.871 173.871 175.142 -1.271 19311 6194 1 9 . 1 1 18 18 LEU CA C 18 54.048 54.048 53.797 0.251 19311 6195 1 9 . 1 1 18 18 LEU CB C 18 41.529 41.529 42.028 -0.499 19311 6196 1 9 . 1 1 18 18 LEU H H 18 7.586 7.586 7.303 0.283 19311 6197 1 9 . 1 1 19 19 GLN N N 19 128.124 128.124 126.362 1.762 19311 6198 1 9 . 1 1 19 19 GLN CA C 19 53.131 53.131 52.003 1.128 19311 6199 1 9 . 1 1 19 19 GLN CB C 19 30.299 30.299 28.784 1.515 19311 6200 1 9 . 1 1 19 19 GLN H H 19 8.893 8.893 7.891 1.002 19311 6201 1 9 . 1 1 20 20 PRO C C 20 176.974 176.974 176.224 0.750 19311 6202 1 9 . 1 1 20 20 PRO CA C 20 62.459 62.459 63.687 -1.228 19311 6203 1 9 . 1 1 20 20 PRO CB C 20 29.693 29.693 31.802 -2.109 19311 6204 1 9 . 1 1 21 21 TRP N N 21 126.042 126.042 121.132 4.910 19311 6205 1 9 . 1 1 21 21 TRP C C 21 176.624 176.624 176.160 0.464 19311 6206 1 9 . 1 1 21 21 TRP CA C 21 58.241 58.241 57.628 0.613 19311 6207 1 9 . 1 1 21 21 TRP CB C 21 31.457 31.457 30.216 1.241 19311 6208 1 9 . 1 1 21 21 TRP H H 21 9.813 9.813 9.162 0.651 19311 6209 1 9 . 1 1 22 22 ILE N N 22 128.281 128.281 123.750 4.531 19311 6210 1 9 . 1 1 22 22 ILE C C 22 176.776 176.776 177.236 -0.460 19311 6211 1 9 . 1 1 22 22 ILE CA C 22 66.628 66.628 65.648 0.980 19311 6212 1 9 . 1 1 22 22 ILE CB C 22 37.455 37.455 37.270 0.185 19311 6213 1 9 . 1 1 22 22 ILE H H 22 8.438 8.438 7.667 0.771 19311 6214 1 9 . 1 1 23 23 LYS N N 23 121.661 121.661 120.416 1.245 19311 6215 1 9 . 1 1 23 23 LYS C C 23 177.812 177.812 178.252 -0.440 19311 6216 1 9 . 1 1 23 23 LYS CA C 23 60.467 60.467 60.185 0.282 19311 6217 1 9 . 1 1 23 23 LYS CB C 23 31.055 31.055 31.937 -0.882 19311 6218 1 9 . 1 1 23 23 LYS H H 23 9.062 9.062 7.357 1.705 19311 6219 1 9 . 1 1 24 24 ALA N N 24 120.454 120.454 121.359 -0.905 19311 6220 1 9 . 1 1 24 24 ALA C C 24 179.285 179.285 179.812 -0.527 19311 6221 1 9 . 1 1 24 24 ALA CA C 24 54.076 54.076 54.632 -0.556 19311 6222 1 9 . 1 1 24 24 ALA CB C 24 17.220 17.220 18.105 -0.885 19311 6223 1 9 . 1 1 24 24 ALA H H 24 8.447 8.447 8.096 0.351 19311 6224 1 9 . 1 1 25 25 LEU N N 25 120.482 120.482 120.078 0.404 19311 6225 1 9 . 1 1 25 25 LEU C C 25 180.269 180.269 178.875 1.394 19311 6226 1 9 . 1 1 25 25 LEU CA C 25 58.102 58.102 58.041 0.061 19311 6227 1 9 . 1 1 25 25 LEU CB C 25 41.636 41.636 42.133 -0.496 19311 6228 1 9 . 1 1 25 25 LEU H H 25 8.071 8.071 7.999 0.072 19311 6229 1 9 . 1 1 26 26 ILE N N 26 119.868 119.868 118.088 1.780 19311 6230 1 9 . 1 1 26 26 ILE C C 26 179.617 179.617 177.793 1.824 19311 6231 1 9 . 1 1 26 26 ILE CA C 26 63.547 63.547 64.140 -0.593 19311 6232 1 9 . 1 1 26 26 ILE CB C 26 35.786 35.786 37.868 -2.082 19311 6233 1 9 . 1 1 26 26 ILE H H 26 8.158 8.158 7.978 0.180 19311 6234 1 9 . 1 1 27 27 GLU N N 27 122.067 122.067 119.822 2.245 19311 6235 1 9 . 1 1 27 27 GLU C C 27 179.103 179.103 179.213 -0.110 19311 6236 1 9 . 1 1 27 27 GLU CA C 27 59.138 59.138 59.353 -0.215 19311 6237 1 9 . 1 1 27 27 GLU CB C 27 28.461 28.461 29.648 -1.187 19311 6238 1 9 . 1 1 27 27 GLU H H 27 8.543 8.543 7.931 0.612 19311 6239 1 9 . 1 1 28 28 ASP N N 28 119.228 119.228 116.885 2.343 19311 6240 1 9 . 1 1 28 28 ASP C C 28 176.992 176.992 176.574 0.418 19311 6241 1 9 . 1 1 28 28 ASP CA C 28 55.657 55.657 55.805 -0.148 19311 6242 1 9 . 1 1 28 28 ASP CB C 28 40.403 40.403 40.883 -0.479 19311 6243 1 9 . 1 1 28 28 ASP H H 28 8.396 8.396 8.331 0.065 19311 6244 1 9 . 1 1 29 29 ASN N N 29 117.545 117.545 116.608 0.937 19311 6245 1 9 . 1 1 29 29 ASN C C 29 174.277 174.277 174.827 -0.550 19311 6246 1 9 . 1 1 29 29 ASN CA C 29 53.694 53.694 52.462 1.232 19311 6247 1 9 . 1 1 29 29 ASN CB C 29 40.069 40.069 39.034 1.035 19311 6248 1 9 . 1 1 29 29 ASN H H 29 7.536 7.536 7.546 -0.010 19311 6249 1 9 . 1 1 30 30 SER N N 30 115.444 115.444 114.435 1.009 19311 6250 1 9 . 1 1 30 30 SER C C 30 173.942 173.942 175.180 -1.238 19311 6251 1 9 . 1 1 30 30 SER CA C 30 58.804 58.804 59.271 -0.467 19311 6252 1 9 . 1 1 30 30 SER CB C 30 63.838 63.838 63.981 -0.143 19311 6253 1 9 . 1 1 30 30 SER H H 30 7.704 7.704 7.550 0.154 19311 6254 1 9 . 1 1 31 31 GLU N N 31 122.456 122.456 123.852 -1.396 19311 6255 1 9 . 1 1 31 31 GLU C C 31 176.234 176.234 176.146 0.088 19311 6256 1 9 . 1 1 31 31 GLU CA C 31 55.633 55.633 55.705 -0.072 19311 6257 1 9 . 1 1 31 31 GLU CB C 31 29.619 29.619 28.326 1.293 19311 6258 1 9 . 1 1 31 31 GLU H H 31 8.287 8.287 8.325 -0.038 19311 6259 1 9 . 1 1 32 32 HIS N N 32 120.953 120.953 120.729 0.224 19311 6260 1 9 . 1 1 32 32 HIS C C 32 174.779 174.779 174.860 -0.081 19311 6261 1 9 . 1 1 32 32 HIS CA C 32 56.355 56.355 57.672 -1.317 19311 6262 1 9 . 1 1 32 32 HIS CB C 32 29.467 29.467 29.241 0.226 19311 6263 1 9 . 1 1 32 32 HIS H H 32 8.207 8.207 7.847 0.360 19311 6264 1 9 . 1 1 33 33 ASP N N 33 120.471 120.471 117.664 2.807 19311 6265 1 9 . 1 1 33 33 ASP C C 33 175.225 175.225 176.508 -1.283 19311 6266 1 9 . 1 1 33 33 ASP CA C 33 54.277 54.277 54.607 -0.330 19311 6267 1 9 . 1 1 33 33 ASP CB C 33 40.007 40.007 40.558 -0.551 19311 6268 1 9 . 1 1 33 33 ASP H H 33 8.256 8.256 8.130 0.126 19311 6269 1 9 . 1 1 34 34 GLN N N 34 118.522 118.522 116.844 1.678 19311 6270 1 9 . 1 1 34 34 GLN C C 34 175.275 175.275 176.247 -0.972 19311 6271 1 9 . 1 1 34 34 GLN CA C 34 55.388 55.388 55.475 -0.087 19311 6272 1 9 . 1 1 34 34 GLN CB C 34 28.586 28.586 30.545 -1.959 19311 6273 1 9 . 1 1 34 34 GLN H H 34 7.854 7.854 7.525 0.329 19311 6274 1 9 . 1 1 35 35 TYR N N 35 120.831 120.831 122.527 -1.696 19311 6275 1 9 . 1 1 35 35 TYR C C 35 174.882 174.882 175.295 -0.413 19311 6276 1 9 . 1 1 35 35 TYR CA C 35 56.752 56.752 58.700 -1.948 19311 6277 1 9 . 1 1 35 35 TYR CB C 35 36.712 36.712 39.241 -2.529 19311 6278 1 9 . 1 1 35 35 TYR H H 35 8.072 8.072 7.984 0.088 19311 6279 1 9 . 1 1 36 36 HIS N N 36 121.429 121.429 127.483 -6.054 19311 6280 1 9 . 1 1 36 36 HIS CA C 36 53.280 53.280 55.414 -2.134 19311 6281 1 9 . 1 1 36 36 HIS CB C 36 29.223 29.223 30.725 -1.502 19311 6282 1 9 . 1 1 36 36 HIS H H 36 7.788 7.788 8.065 -0.277 19311 6283 1 9 . 1 1 37 37 PRO C C 37 177.021 177.021 176.913 0.108 19311 6284 1 9 . 1 1 37 37 PRO CA C 37 62.947 62.947 65.057 -2.110 19311 6285 1 9 . 1 1 37 37 PRO CB C 37 31.735 31.735 31.991 -0.256 19311 6286 1 9 . 1 1 38 38 SER N N 38 117.550 117.550 111.200 6.350 19311 6287 1 9 . 1 1 38 38 SER C C 38 174.281 174.281 173.857 0.424 19311 6288 1 9 . 1 1 38 38 SER CA C 38 57.494 57.494 57.582 -0.088 19311 6289 1 9 . 1 1 38 38 SER CB C 38 63.795 63.795 64.032 -0.237 19311 6290 1 9 . 1 1 38 38 SER H H 38 8.808 8.808 8.556 0.252 19311 6291 1 9 . 1 1 39 39 GLY N N 39 113.547 113.547 110.945 2.602 19311 6292 1 9 . 1 1 39 39 GLY C C 39 173.690 173.690 173.700 -0.010 19311 6293 1 9 . 1 1 39 39 GLY CA C 39 44.463 44.463 45.273 -0.810 19311 6294 1 9 . 1 1 39 39 GLY H H 39 8.564 8.564 7.817 0.747 19311 6295 1 9 . 1 1 40 40 HIS N N 40 121.529 121.529 125.217 -3.688 19311 6296 1 9 . 1 1 40 40 HIS C C 40 175.794 175.794 176.395 -0.601 19311 6297 1 9 . 1 1 40 40 HIS CA C 40 55.796 55.796 57.222 -1.426 19311 6298 1 9 . 1 1 40 40 HIS CB C 40 26.887 26.887 30.338 -3.451 19311 6299 1 9 . 1 1 40 40 HIS H H 40 9.071 9.071 8.306 0.765 19311 6300 1 9 . 1 1 41 41 VAL N N 41 115.423 115.423 118.703 -3.280 19311 6301 1 9 . 1 1 41 41 VAL C C 41 176.247 176.247 175.468 0.779 19311 6302 1 9 . 1 1 41 41 VAL CA C 41 62.424 62.424 62.596 -0.172 19311 6303 1 9 . 1 1 41 41 VAL CB C 41 31.201 31.201 33.406 -2.205 19311 6304 1 9 . 1 1 41 41 VAL H H 41 8.201 8.201 8.791 -0.590 19311 6305 1 9 . 1 1 42 42 ILE N N 42 120.213 120.213 115.214 4.999 19311 6306 1 9 . 1 1 42 42 ILE CA C 42 58.655 58.655 57.661 0.994 19311 6307 1 9 . 1 1 42 42 ILE CB C 42 39.579 39.579 39.265 0.314 19311 6308 1 9 . 1 1 42 42 ILE H H 42 7.305 7.305 7.371 -0.066 19311 6309 1 9 . 1 1 43 43 PRO C C 43 177.076 177.076 176.755 0.321 19311 6310 1 9 . 1 1 43 43 PRO CA C 43 62.446 62.446 62.993 -0.547 19311 6311 1 9 . 1 1 43 43 PRO CB C 43 32.486 32.486 32.570 -0.084 19311 6312 1 9 . 1 1 44 44 SER N N 44 116.530 116.530 115.643 0.887 19311 6313 1 9 . 1 1 44 44 SER C C 44 173.398 173.398 173.981 -0.583 19311 6314 1 9 . 1 1 44 44 SER CA C 44 57.636 57.636 58.066 -0.430 19311 6315 1 9 . 1 1 44 44 SER CB C 44 63.032 63.032 63.558 -0.526 19311 6316 1 9 . 1 1 44 44 SER H H 44 8.436 8.436 8.272 0.164 19311 6317 1 9 . 1 1 45 45 LEU N N 45 127.441 127.441 127.389 0.052 19311 6318 1 9 . 1 1 45 45 LEU C C 45 178.103 178.103 177.161 0.942 19311 6319 1 9 . 1 1 45 45 LEU CA C 45 52.534 52.534 53.849 -1.315 19311 6320 1 9 . 1 1 45 45 LEU CB C 45 42.737 42.737 43.599 -0.862 19311 6321 1 9 . 1 1 45 45 LEU H H 45 9.947 9.947 8.470 1.477 19311 6322 1 9 . 1 1 46 46 THR N N 46 114.571 114.571 113.025 1.546 19311 6323 1 9 . 1 1 46 46 THR C C 46 175.217 175.217 175.740 -0.523 19311 6324 1 9 . 1 1 46 46 THR CA C 46 60.441 60.441 60.070 0.371 19311 6325 1 9 . 1 1 46 46 THR CB C 46 71.156 71.156 70.857 0.299 19311 6326 1 9 . 1 1 46 46 THR H H 46 9.328 9.328 8.975 0.353 19311 6327 1 9 . 1 1 47 47 LYS N N 47 120.404 120.404 120.467 -0.063 19311 6328 1 9 . 1 1 47 47 LYS C C 47 179.434 179.434 179.089 0.345 19311 6329 1 9 . 1 1 47 47 LYS CA C 47 59.340 59.340 60.730 -1.389 19311 6330 1 9 . 1 1 47 47 LYS CB C 47 30.960 30.960 32.089 -1.129 19311 6331 1 9 . 1 1 47 47 LYS H H 47 8.690 8.690 8.621 0.069 19311 6332 1 9 . 1 1 48 48 GLN N N 48 119.487 119.487 118.449 1.038 19311 6333 1 9 . 1 1 48 48 GLN C C 48 178.691 178.691 178.248 0.443 19311 6334 1 9 . 1 1 48 48 GLN CA C 48 58.356 58.356 58.903 -0.547 19311 6335 1 9 . 1 1 48 48 GLN CB C 48 27.365 27.365 28.358 -0.993 19311 6336 1 9 . 1 1 48 48 GLN H H 48 8.082 8.082 7.944 0.138 19311 6337 1 9 . 1 1 49 49 ASP N N 49 122.541 122.541 120.047 2.494 19311 6338 1 9 . 1 1 49 49 ASP C C 49 175.759 175.759 177.998 -2.239 19311 6339 1 9 . 1 1 49 49 ASP CA C 49 57.516 57.516 56.917 0.599 19311 6340 1 9 . 1 1 49 49 ASP CB C 49 41.147 41.147 40.695 0.452 19311 6341 1 9 . 1 1 49 49 ASP H H 49 7.743 7.743 7.688 0.055 19311 6342 1 9 . 1 1 50 50 LEU N N 50 113.803 113.803 118.795 -4.992 19311 6343 1 9 . 1 1 50 50 LEU C C 50 178.243 178.243 178.981 -0.738 19311 6344 1 9 . 1 1 50 50 LEU CA C 50 56.063 56.063 57.289 -1.226 19311 6345 1 9 . 1 1 50 50 LEU CB C 50 41.162 41.162 41.684 -0.522 19311 6346 1 9 . 1 1 50 50 LEU H H 50 7.307 7.307 8.144 -0.837 19311 6347 1 9 . 1 1 51 51 ALA N N 51 120.417 120.417 122.126 -1.709 19311 6348 1 9 . 1 1 51 51 ALA C C 51 178.660 178.660 177.978 0.682 19311 6349 1 9 . 1 1 51 51 ALA CA C 51 53.718 53.718 54.334 -0.616 19311 6350 1 9 . 1 1 51 51 ALA CB C 51 18.193 18.193 19.495 -1.302 19311 6351 1 9 . 1 1 51 51 ALA H H 51 7.677 7.677 7.784 -0.107 19311 6352 1 9 . 1 1 52 52 LEU N N 52 116.642 116.642 116.980 -0.338 19311 6353 1 9 . 1 1 52 52 LEU CA C 52 51.307 51.307 52.290 -0.983 19311 6354 1 9 . 1 1 52 52 LEU CB C 52 42.099 42.099 42.663 -0.565 19311 6355 1 9 . 1 1 52 52 LEU H H 52 6.992 6.992 7.713 -0.721 19311 6356 1 9 . 1 1 53 53 PRO C C 53 177.594 177.594 177.838 -0.244 19311 6357 1 9 . 1 1 53 53 PRO CA C 53 65.466 65.466 64.768 0.698 19311 6358 1 9 . 1 1 53 53 PRO CB C 53 31.761 31.761 31.937 -0.176 19311 6359 1 9 . 1 1 54 54 HIS N N 54 112.752 112.752 113.089 -0.337 19311 6360 1 9 . 1 1 54 54 HIS C C 54 175.187 175.187 174.415 0.772 19311 6361 1 9 . 1 1 54 54 HIS CA C 54 57.695 57.695 56.534 1.161 19311 6362 1 9 . 1 1 54 54 HIS CB C 54 28.716 28.716 28.175 0.541 19311 6363 1 9 . 1 1 54 54 HIS H H 54 8.274 8.274 8.458 -0.184 19311 6364 1 9 . 1 1 55 55 MET N N 55 116.326 116.326 117.576 -1.250 19311 6365 1 9 . 1 1 55 55 MET C C 55 175.522 175.522 175.795 -0.273 19311 6366 1 9 . 1 1 55 55 MET CA C 55 53.185 53.185 54.167 -0.982 19311 6367 1 9 . 1 1 55 55 MET CB C 55 32.240 32.240 32.795 -0.555 19311 6368 1 9 . 1 1 55 55 MET H H 55 7.254 7.254 7.108 0.146 19311 6369 1 9 . 1 1 56 56 SER N N 56 116.685 116.685 117.228 -0.543 19311 6370 1 9 . 1 1 56 56 SER CA C 56 54.269 54.269 54.252 0.017 19311 6371 1 9 . 1 1 56 56 SER CB C 56 63.227 63.227 64.332 -1.105 19311 6372 1 9 . 1 1 56 56 SER H H 56 7.038 7.038 7.332 -0.294 19311 6373 1 9 . 1 1 57 57 PRO C C 57 178.714 178.714 178.454 0.260 19311 6374 1 9 . 1 1 57 57 PRO CA C 57 64.333 64.333 65.548 -1.215 19311 6375 1 9 . 1 1 57 57 PRO CB C 57 31.044 31.044 31.907 -0.863 19311 6376 1 9 . 1 1 58 58 THR N N 58 115.440 115.440 112.338 3.102 19311 6377 1 9 . 1 1 58 58 THR C C 58 175.811 175.811 175.242 0.569 19311 6378 1 9 . 1 1 58 58 THR CA C 58 65.411 65.411 66.201 -0.790 19311 6379 1 9 . 1 1 58 58 THR CB C 58 68.208 68.208 68.482 -0.274 19311 6380 1 9 . 1 1 58 58 THR H H 58 7.560 7.560 7.902 -0.342 19311 6381 1 9 . 1 1 59 59 ILE N N 59 122.823 122.823 118.600 4.223 19311 6382 1 9 . 1 1 59 59 ILE C C 59 176.672 176.672 178.024 -1.352 19311 6383 1 9 . 1 1 59 59 ILE CA C 59 64.230 64.230 63.591 0.639 19311 6384 1 9 . 1 1 59 59 ILE CB C 59 37.283 37.283 38.415 -1.132 19311 6385 1 9 . 1 1 59 59 ILE H H 59 7.182 7.182 7.466 -0.284 19311 6386 1 9 . 1 1 60 60 LEU N N 60 113.853 113.853 119.858 -6.005 19311 6387 1 9 . 1 1 60 60 LEU C C 60 179.288 179.288 177.815 1.473 19311 6388 1 9 . 1 1 60 60 LEU CA C 60 56.589 56.589 57.564 -0.975 19311 6389 1 9 . 1 1 60 60 LEU CB C 60 40.734 40.734 41.639 -0.905 19311 6390 1 9 . 1 1 60 60 LEU H H 60 7.894 7.894 8.198 -0.304 19311 6391 1 9 . 1 1 61 61 THR N N 61 107.267 107.267 106.400 0.867 19311 6392 1 9 . 1 1 61 61 THR C C 61 173.987 173.987 174.947 -0.960 19311 6393 1 9 . 1 1 61 61 THR CA C 61 61.516 61.516 62.283 -0.768 19311 6394 1 9 . 1 1 61 61 THR CB C 61 69.919 69.919 69.175 0.744 19311 6395 1 9 . 1 1 61 61 THR H H 61 7.427 7.427 7.843 -0.416 19311 6396 1 9 . 1 1 62 62 ASN N N 62 121.377 121.377 120.792 0.585 19311 6397 1 9 . 1 1 62 62 ASN CA C 62 49.977 49.977 50.745 -0.768 19311 6398 1 9 . 1 1 62 62 ASN CB C 62 39.885 39.885 39.379 0.506 19311 6399 1 9 . 1 1 62 62 ASN H H 62 7.368 7.368 7.795 -0.427 19311 6400 1 9 . 1 1 63 63 PRO C C 63 176.868 176.868 178.217 -1.349 19311 6401 1 9 . 1 1 63 63 PRO CA C 63 64.130 64.130 65.233 -1.103 19311 6402 1 9 . 1 1 63 63 PRO CB C 63 32.275 32.275 32.209 0.066 19311 6403 1 9 . 1 1 64 64 CYS N N 64 113.208 113.208 114.543 -1.335 19311 6404 1 9 . 1 1 64 64 CYS C C 64 170.205 170.205 175.307 -5.102 19311 6405 1 9 . 1 1 64 64 CYS CA C 64 56.943 56.943 60.691 -3.748 19311 6406 1 9 . 1 1 64 64 CYS CB C 64 26.242 26.242 26.808 -0.566 19311 6407 1 9 . 1 1 64 64 CYS H H 64 7.072 7.072 8.263 -1.191 19311 6408 1 9 . 1 1 65 65 HIS N N 65 108.987 108.987 115.494 -6.507 19311 6409 1 9 . 1 1 65 65 HIS C C 65 174.303 174.303 174.265 0.038 19311 6410 1 9 . 1 1 65 65 HIS CA C 65 56.141 56.141 58.036 -1.895 19311 6411 1 9 . 1 1 65 65 HIS CB C 65 28.565 28.565 30.243 -1.678 19311 6412 1 9 . 1 1 65 65 HIS H H 65 6.651 6.651 7.438 -0.787 19311 6413 1 9 . 1 1 66 66 PHE N N 66 116.823 116.823 119.838 -3.015 19311 6414 1 9 . 1 1 66 66 PHE C C 66 174.308 174.308 174.391 -0.083 19311 6415 1 9 . 1 1 66 66 PHE CA C 66 56.990 56.990 58.895 -1.905 19311 6416 1 9 . 1 1 66 66 PHE CB C 66 41.535 41.535 40.102 1.433 19311 6417 1 9 . 1 1 66 66 PHE H H 66 7.548 7.548 7.893 -0.345 19311 6418 1 9 . 1 1 67 67 ALA N N 67 119.242 119.242 124.523 -5.281 19311 6419 1 9 . 1 1 67 67 ALA C C 67 175.495 175.495 175.354 0.141 19311 6420 1 9 . 1 1 67 67 ALA CA C 67 50.842 50.842 51.329 -0.487 19311 6421 1 9 . 1 1 67 67 ALA CB C 67 24.144 24.144 23.321 0.823 19311 6422 1 9 . 1 1 67 67 ALA H H 67 8.646 8.646 9.013 -0.367 19311 6423 1 9 . 1 1 68 68 LYS N N 68 118.338 118.338 119.630 -1.292 19311 6424 1 9 . 1 1 68 68 LYS C C 68 176.011 176.011 175.492 0.519 19311 6425 1 9 . 1 1 68 68 LYS CA C 68 54.557 54.557 54.801 -0.244 19311 6426 1 9 . 1 1 68 68 LYS CB C 68 34.575 34.575 36.606 -2.031 19311 6427 1 9 . 1 1 68 68 LYS H H 68 8.373 8.373 8.943 -0.570 19311 6428 1 9 . 1 1 69 69 ILE N N 69 126.321 126.321 124.165 2.156 19311 6429 1 9 . 1 1 69 69 ILE C C 69 176.711 176.711 176.714 -0.003 19311 6430 1 9 . 1 1 69 69 ILE CA C 69 61.581 61.581 61.263 0.318 19311 6431 1 9 . 1 1 69 69 ILE CB C 69 37.161 37.161 38.802 -1.641 19311 6432 1 9 . 1 1 69 69 ILE H H 69 9.660 9.660 8.479 1.181 19311 6433 1 9 . 1 1 70 70 THR N N 70 118.154 118.154 118.579 -0.425 19311 6434 1 9 . 1 1 70 70 THR C C 70 175.076 175.076 174.252 0.824 19311 6435 1 9 . 1 1 70 70 THR CA C 70 60.883 60.883 61.313 -0.430 19311 6436 1 9 . 1 1 70 70 THR CB C 70 68.643 68.643 71.397 -2.754 19311 6437 1 9 . 1 1 70 70 THR H H 70 8.785 8.785 8.794 -0.009 19311 6438 1 9 . 1 1 71 71 LYS N N 71 122.877 122.877 120.206 2.671 19311 6439 1 9 . 1 1 71 71 LYS C C 71 173.355 173.355 173.512 -0.157 19311 6440 1 9 . 1 1 71 71 LYS CA C 71 56.459 56.459 56.793 -0.334 19311 6441 1 9 . 1 1 71 71 LYS CB C 71 34.142 34.142 34.591 -0.449 19311 6442 1 9 . 1 1 71 71 LYS H H 71 7.088 7.088 7.500 -0.412 19311 6443 1 9 . 1 1 72 72 PHE N N 72 122.143 122.143 120.249 1.894 19311 6444 1 9 . 1 1 72 72 PHE C C 72 175.071 175.071 174.226 0.845 19311 6445 1 9 . 1 1 72 72 PHE CA C 72 57.980 57.980 55.787 2.193 19311 6446 1 9 . 1 1 72 72 PHE CB C 72 39.359 39.359 40.910 -1.552 19311 6447 1 9 . 1 1 72 72 PHE H H 72 8.530 8.530 7.658 0.872 19311 6448 1 9 . 1 1 73 73 TYR N N 73 123.208 123.208 119.701 3.507 19311 6449 1 9 . 1 1 73 73 TYR C C 73 176.295 176.295 175.539 0.756 19311 6450 1 9 . 1 1 73 73 TYR CA C 73 60.464 60.464 59.907 0.557 19311 6451 1 9 . 1 1 73 73 TYR CB C 73 39.634 39.634 39.985 -0.351 19311 6452 1 9 . 1 1 73 73 TYR H H 73 9.437 9.437 9.159 0.278 19311 6453 1 9 . 1 1 74 74 ASN N N 74 113.786 113.786 114.875 -1.089 19311 6454 1 9 . 1 1 74 74 ASN C C 74 172.652 172.652 172.794 -0.142 19311 6455 1 9 . 1 1 74 74 ASN CA C 74 52.675 52.675 53.263 -0.588 19311 6456 1 9 . 1 1 74 74 ASN CB C 74 39.801 39.801 41.762 -1.961 19311 6457 1 9 . 1 1 74 74 ASN H H 74 7.993 7.993 8.045 -0.052 19311 6458 1 9 . 1 1 75 75 VAL N N 75 124.913 124.913 120.633 4.280 19311 6459 1 9 . 1 1 75 75 VAL C C 75 175.179 175.179 175.063 0.116 19311 6460 1 9 . 1 1 75 75 VAL CA C 75 61.422 61.422 61.118 0.304 19311 6461 1 9 . 1 1 75 75 VAL CB C 75 33.185 33.185 34.562 -1.377 19311 6462 1 9 . 1 1 75 75 VAL H H 75 7.721 7.721 8.488 -0.767 19311 6463 1 9 . 1 1 76 76 CYS N N 76 125.698 125.698 126.812 -1.114 19311 6464 1 9 . 1 1 76 76 CYS CA C 76 57.694 57.694 57.902 -0.208 19311 6465 1 9 . 1 1 76 76 CYS CB C 76 27.993 27.993 30.353 -2.360 19311 6466 1 9 . 1 1 76 76 CYS H H 76 8.677 8.677 9.388 -0.711 19311 6467 1 9 . 1 1 78 78 TYR N N 78 109.730 109.730 110.203 -0.473 19311 6468 1 9 . 1 1 78 78 TYR C C 78 173.592 173.592 174.151 -0.559 19311 6469 1 9 . 1 1 78 78 TYR CA C 78 60.078 60.078 59.198 0.880 19311 6470 1 9 . 1 1 78 78 TYR CB C 78 35.627 35.627 36.022 -0.395 19311 6471 1 9 . 1 1 78 78 TYR H H 78 8.215 8.215 8.011 0.204 19311 6472 1 9 . 1 1 79 79 LYS N N 79 119.181 119.181 118.771 0.410 19311 6473 1 9 . 1 1 79 79 LYS C C 79 175.198 175.198 175.362 -0.164 19311 6474 1 9 . 1 1 79 79 LYS CA C 79 55.243 55.243 54.577 0.666 19311 6475 1 9 . 1 1 79 79 LYS CB C 79 33.522 33.522 36.614 -3.092 19311 6476 1 9 . 1 1 79 79 LYS H H 79 7.695 7.695 7.646 0.049 19311 6477 1 9 . 1 1 80 80 VAL N N 80 118.700 118.700 122.834 -4.134 19311 6478 1 9 . 1 1 80 80 VAL C C 80 172.953 172.953 174.861 -1.908 19311 6479 1 9 . 1 1 80 80 VAL CA C 80 61.093 61.093 61.888 -0.795 19311 6480 1 9 . 1 1 80 80 VAL CB C 80 34.048 34.048 33.066 0.982 19311 6481 1 9 . 1 1 80 80 VAL H H 80 7.478 7.478 8.120 -0.642 19311 6482 1 9 . 1 1 81 81 TYR N N 81 128.065 128.065 126.993 1.072 19311 6483 1 9 . 1 1 81 81 TYR C C 81 175.948 175.948 174.687 1.261 19311 6484 1 9 . 1 1 81 81 TYR CA C 81 57.836 57.836 56.593 1.243 19311 6485 1 9 . 1 1 81 81 TYR CB C 81 37.594 37.594 39.347 -1.753 19311 6486 1 9 . 1 1 81 81 TYR H H 81 8.851 8.851 9.177 -0.326 19311 6487 1 9 . 1 1 82 82 ALA N N 82 130.227 130.227 126.476 3.751 19311 6488 1 9 . 1 1 82 82 ALA C C 82 174.291 174.291 175.133 -0.842 19311 6489 1 9 . 1 1 82 82 ALA CA C 82 51.702 51.702 51.166 0.536 19311 6490 1 9 . 1 1 82 82 ALA CB C 82 24.004 24.004 23.218 0.786 19311 6491 1 9 . 1 1 82 82 ALA H H 82 9.673 9.673 9.355 0.318 19311 6492 1 9 . 1 1 83 83 SER N N 83 112.455 112.455 114.376 -1.921 19311 6493 1 9 . 1 1 83 83 SER C C 83 175.055 175.055 173.527 1.528 19311 6494 1 9 . 1 1 83 83 SER CA C 83 56.656 56.656 56.296 0.360 19311 6495 1 9 . 1 1 83 83 SER CB C 83 65.405 65.405 64.584 0.821 19311 6496 1 9 . 1 1 83 83 SER H H 83 8.975 8.975 9.013 -0.038 19311 6497 1 9 . 1 1 84 84 ILE N N 84 115.288 115.288 121.309 -6.021 19311 6498 1 9 . 1 1 84 84 ILE C C 84 173.569 173.569 173.488 0.081 19311 6499 1 9 . 1 1 84 84 ILE CA C 84 57.822 57.822 58.819 -0.997 19311 6500 1 9 . 1 1 84 84 ILE CB C 84 41.310 41.310 42.816 -1.506 19311 6501 1 9 . 1 1 84 84 ILE H H 84 8.657 8.657 9.013 -0.356 19311 6502 1 9 . 1 1 85 85 ARG N N 85 116.138 116.138 118.348 -2.210 19311 6503 1 9 . 1 1 85 85 ARG C C 85 174.594 174.594 174.193 0.401 19311 6504 1 9 . 1 1 85 85 ARG CA C 85 52.721 52.721 54.803 -2.082 19311 6505 1 9 . 1 1 85 85 ARG CB C 85 33.188 33.188 33.843 -0.655 19311 6506 1 9 . 1 1 85 85 ARG H H 85 9.306 9.306 9.050 0.256 19311 6507 1 9 . 1 1 86 86 ASP N N 86 121.622 121.622 118.001 3.621 19311 6508 1 9 . 1 1 86 86 ASP C C 86 175.804 175.804 177.376 -1.572 19311 6509 1 9 . 1 1 86 86 ASP CA C 86 51.666 51.666 52.818 -1.152 19311 6510 1 9 . 1 1 86 86 ASP CB C 86 38.969 38.969 41.977 -3.009 19311 6511 1 9 . 1 1 86 86 ASP H H 86 7.506 7.506 7.957 -0.451 19311 6512 1 9 . 1 1 87 87 SER N N 87 109.487 109.487 115.228 -5.741 19311 6513 1 9 . 1 1 87 87 SER C C 87 174.343 174.343 174.918 -0.575 19311 6514 1 9 . 1 1 87 87 SER CA C 87 59.775 59.775 60.837 -1.062 19311 6515 1 9 . 1 1 87 87 SER CB C 87 62.824 62.824 63.318 -0.494 19311 6516 1 9 . 1 1 87 87 SER H H 87 6.452 6.452 8.541 -2.089 19311 6517 1 9 . 1 1 88 88 SER N N 88 117.714 117.714 117.106 0.608 19311 6518 1 9 . 1 1 88 88 SER C C 88 172.322 172.322 173.946 -1.624 19311 6519 1 9 . 1 1 88 88 SER CA C 88 60.625 60.625 58.699 1.926 19311 6520 1 9 . 1 1 88 88 SER CB C 88 66.392 66.392 63.792 2.600 19311 6521 1 9 . 1 1 88 88 SER H H 88 8.852 8.852 8.163 0.689 19311 6522 1 9 . 1 1 89 89 HIS N N 89 121.987 121.987 118.995 2.992 19311 6523 1 9 . 1 1 89 89 HIS C C 89 173.253 173.253 173.989 -0.736 19311 6524 1 9 . 1 1 89 89 HIS CA C 89 55.530 55.530 54.448 1.082 19311 6525 1 9 . 1 1 89 89 HIS CB C 89 36.622 36.622 32.495 4.127 19311 6526 1 9 . 1 1 89 89 HIS H H 89 9.568 9.568 8.091 1.477 19311 6527 1 9 . 1 1 90 90 GLN N N 90 112.816 112.816 119.244 -6.428 19311 6528 1 9 . 1 1 90 90 GLN C C 90 175.640 175.640 173.932 1.708 19311 6529 1 9 . 1 1 90 90 GLN CA C 90 53.060 53.060 54.586 -1.526 19311 6530 1 9 . 1 1 90 90 GLN CB C 90 32.977 32.977 31.958 1.019 19311 6531 1 9 . 1 1 90 90 GLN H H 90 7.942 7.942 8.532 -0.590 19311 6532 1 9 . 1 1 91 91 ILE N N 91 119.354 119.354 122.556 -3.202 19311 6533 1 9 . 1 1 91 91 ILE C C 91 172.309 172.309 173.110 -0.801 19311 6534 1 9 . 1 1 91 91 ILE CA C 91 61.019 61.019 59.591 1.428 19311 6535 1 9 . 1 1 91 91 ILE CB C 91 41.077 41.077 42.550 -1.473 19311 6536 1 9 . 1 1 91 91 ILE H H 91 8.937 8.937 9.068 -0.131 19311 6537 1 9 . 1 1 92 92 LEU N N 92 125.414 125.414 126.200 -0.786 19311 6538 1 9 . 1 1 92 92 LEU C C 92 175.848 175.848 175.555 0.293 19311 6539 1 9 . 1 1 92 92 LEU CA C 92 55.084 55.084 55.160 -0.076 19311 6540 1 9 . 1 1 92 92 LEU CB C 92 40.637 40.637 42.393 -1.756 19311 6541 1 9 . 1 1 92 92 LEU H H 92 7.192 7.192 8.571 -1.379 19311 6542 1 9 . 1 1 93 93 VAL N N 93 116.666 116.666 119.666 -3.000 19311 6543 1 9 . 1 1 93 93 VAL C C 93 173.013 173.013 173.517 -0.504 19311 6544 1 9 . 1 1 93 93 VAL CA C 93 58.637 58.637 59.467 -0.830 19311 6545 1 9 . 1 1 93 93 VAL CB C 93 35.844 35.844 35.456 0.388 19311 6546 1 9 . 1 1 93 93 VAL H H 93 9.225 9.225 9.133 0.092 19311 6547 1 9 . 1 1 94 94 GLU N N 94 124.248 124.248 127.794 -3.546 19311 6548 1 9 . 1 1 94 94 GLU CA C 94 53.418 53.418 53.398 0.020 19311 6549 1 9 . 1 1 94 94 GLU CB C 94 32.133 32.133 33.381 -1.248 19311 6550 1 9 . 1 1 94 94 GLU H H 94 8.549 8.549 9.037 -0.488 19311 6551 1 9 . 1 1 95 95 PHE C C 95 175.472 175.472 176.217 -0.745 19311 6552 1 9 . 1 1 95 95 PHE CA C 95 56.710 56.710 56.360 0.350 19311 6553 1 9 . 1 1 95 95 PHE CB C 95 38.774 38.774 39.770 -0.996 19311 6554 1 9 . 1 1 96 96 SER N N 96 119.651 119.651 120.268 -0.617 19311 6555 1 9 . 1 1 96 96 SER C C 96 173.024 173.024 175.579 -2.555 19311 6556 1 9 . 1 1 96 96 SER CA C 96 57.233 57.233 57.957 -0.724 19311 6557 1 9 . 1 1 96 96 SER CB C 96 65.249 65.249 65.278 -0.030 19311 6558 1 9 . 1 1 96 96 SER H H 96 8.203 8.203 8.651 -0.448 19311 6559 1 9 . 1 1 97 97 GLN N N 97 120.894 120.894 123.083 -2.189 19311 6560 1 9 . 1 1 97 97 GLN C C 97 179.424 179.424 178.050 1.374 19311 6561 1 9 . 1 1 97 97 GLN CA C 97 58.799 58.799 60.035 -1.236 19311 6562 1 9 . 1 1 97 97 GLN CB C 97 26.863 26.863 28.505 -1.642 19311 6563 1 9 . 1 1 97 97 GLN H H 97 8.949 8.949 8.986 -0.037 19311 6564 1 9 . 1 1 98 98 GLU N N 98 121.467 121.467 119.485 1.982 19311 6565 1 9 . 1 1 98 98 GLU C C 98 177.401 177.401 178.111 -0.710 19311 6566 1 9 . 1 1 98 98 GLU CA C 98 59.056 59.056 59.481 -0.425 19311 6567 1 9 . 1 1 98 98 GLU CB C 98 28.654 28.654 28.794 -0.140 19311 6568 1 9 . 1 1 98 98 GLU H H 98 8.759 8.759 8.402 0.357 19311 6569 1 9 . 1 1 99 99 CYS N N 99 122.363 122.363 119.545 2.818 19311 6570 1 9 . 1 1 99 99 CYS C C 99 178.667 178.667 177.359 1.308 19311 6571 1 9 . 1 1 99 99 CYS CA C 99 61.683 61.683 62.960 -1.277 19311 6572 1 9 . 1 1 99 99 CYS CB C 99 27.002 27.002 26.517 0.485 19311 6573 1 9 . 1 1 99 99 CYS H H 99 8.194 8.194 7.807 0.387 19311 6574 1 9 . 1 1 100 100 VAL N N 100 120.067 120.067 120.335 -0.268 19311 6575 1 9 . 1 1 100 100 VAL C C 100 178.191 178.191 177.968 0.223 19311 6576 1 9 . 1 1 100 100 VAL CA C 100 66.503 66.503 67.041 -0.538 19311 6577 1 9 . 1 1 100 100 VAL CB C 100 31.299 31.299 31.592 -0.293 19311 6578 1 9 . 1 1 100 100 VAL H H 100 8.584 8.584 8.593 -0.009 19311 6579 1 9 . 1 1 101 101 SER N N 101 117.155 117.155 116.286 0.869 19311 6580 1 9 . 1 1 101 101 SER C C 101 177.930 177.930 176.880 1.050 19311 6581 1 9 . 1 1 101 101 SER CA C 101 61.182 61.182 61.774 -0.592 19311 6582 1 9 . 1 1 101 101 SER CB C 101 62.112 62.112 63.081 -0.969 19311 6583 1 9 . 1 1 101 101 SER H H 101 8.685 8.685 8.440 0.245 19311 6584 1 9 . 1 1 102 102 ASN N N 102 120.931 120.931 120.244 0.687 19311 6585 1 9 . 1 1 102 102 ASN C C 102 178.047 178.047 177.435 0.612 19311 6586 1 9 . 1 1 102 102 ASN CA C 102 56.108 56.108 55.777 0.331 19311 6587 1 9 . 1 1 102 102 ASN CB C 102 37.456 37.456 38.040 -0.584 19311 6588 1 9 . 1 1 102 102 ASN H H 102 8.638 8.638 8.223 0.415 19311 6589 1 9 . 1 1 103 103 PHE N N 103 124.907 124.907 122.450 2.457 19311 6590 1 9 . 1 1 103 103 PHE C C 103 177.886 177.886 177.646 0.240 19311 6591 1 9 . 1 1 103 103 PHE CA C 103 61.734 61.734 61.864 -0.130 19311 6592 1 9 . 1 1 103 103 PHE CB C 103 38.976 38.976 39.163 -0.187 19311 6593 1 9 . 1 1 103 103 PHE H H 103 8.495 8.495 8.783 -0.288 19311 6594 1 9 . 1 1 104 104 GLU N N 104 120.930 120.930 119.826 1.104 19311 6595 1 9 . 1 1 104 104 GLU C C 104 180.036 180.036 179.443 0.593 19311 6596 1 9 . 1 1 104 104 GLU CA C 104 59.070 59.070 59.298 -0.228 19311 6597 1 9 . 1 1 104 104 GLU CB C 104 28.323 28.323 29.592 -1.269 19311 6598 1 9 . 1 1 104 104 GLU H H 104 8.614 8.614 8.478 0.136 19311 6599 1 9 . 1 1 105 105 ARG N N 105 119.201 119.201 118.306 0.895 19311 6600 1 9 . 1 1 105 105 ARG C C 105 178.097 178.097 178.432 -0.335 19311 6601 1 9 . 1 1 105 105 ARG CA C 105 58.179 58.179 59.117 -0.938 19311 6602 1 9 . 1 1 105 105 ARG CB C 105 29.305 29.305 30.179 -0.874 19311 6603 1 9 . 1 1 105 105 ARG H H 105 7.976 7.976 7.996 -0.020 19311 6604 1 9 . 1 1 106 106 THR N N 106 114.725 114.725 112.925 1.800 19311 6605 1 9 . 1 1 106 106 THR C C 106 175.323 175.323 175.763 -0.440 19311 6606 1 9 . 1 1 106 106 THR CA C 106 65.164 65.164 65.520 -0.356 19311 6607 1 9 . 1 1 106 106 THR CB C 106 68.964 68.964 68.875 0.089 19311 6608 1 9 . 1 1 106 106 THR H H 106 7.744 7.744 7.732 0.012 19311 6609 1 9 . 1 1 107 107 HIS N N 107 116.911 116.911 115.738 1.173 19311 6610 1 9 . 1 1 107 107 HIS C C 107 174.769 174.769 174.375 0.394 19311 6611 1 9 . 1 1 107 107 HIS CA C 107 56.636 56.636 56.706 -0.070 19311 6612 1 9 . 1 1 107 107 HIS CB C 107 29.833 29.833 30.669 -0.836 19311 6613 1 9 . 1 1 107 107 HIS H H 107 8.033 8.033 7.765 0.268 19311 6614 1 9 . 1 1 108 108 ASN N N 108 118.204 118.204 116.600 1.604 19311 6615 1 9 . 1 1 108 108 ASN C C 108 173.328 173.328 174.139 -0.811 19311 6616 1 9 . 1 1 108 108 ASN CA C 108 53.859 53.859 54.640 -0.781 19311 6617 1 9 . 1 1 108 108 ASN CB C 108 36.623 36.623 36.221 0.402 19311 6618 1 9 . 1 1 108 108 ASN H H 108 8.135 8.135 8.338 -0.203 19311 6619 1 9 . 1 1 109 109 CYS N N 109 111.643 111.643 111.595 0.048 19311 6620 1 9 . 1 1 109 109 CYS C C 109 171.934 171.934 173.086 -1.152 19311 6621 1 9 . 1 1 109 109 CYS CA C 109 55.233 55.233 56.202 -0.969 19311 6622 1 9 . 1 1 109 109 CYS CB C 109 29.518 29.518 30.796 -1.278 19311 6623 1 9 . 1 1 109 109 CYS H H 109 7.493 7.493 7.283 0.210 19311 6624 1 9 . 1 1 110 110 ARG N N 110 117.680 117.680 119.493 -1.813 19311 6625 1 9 . 1 1 110 110 ARG C C 110 179.018 179.018 178.009 1.009 19311 6626 1 9 . 1 1 110 110 ARG CA C 110 54.914 54.914 55.049 -0.135 19311 6627 1 9 . 1 1 110 110 ARG CB C 110 30.252 30.252 31.377 -1.125 19311 6628 1 9 . 1 1 110 110 ARG H H 110 8.271 8.271 7.991 0.280 19311 6629 1 9 . 1 1 111 111 ILE N N 111 124.684 124.684 120.394 4.290 19311 6630 1 9 . 1 1 111 111 ILE CA C 111 63.115 63.115 63.676 -0.561 19311 6631 1 9 . 1 1 111 111 ILE CB C 111 37.530 37.530 37.096 0.434 19311 6632 1 9 . 1 1 111 111 ILE H H 111 9.551 9.551 8.670 0.881 19311 6633 1 9 . 1 1 112 112 THR N N 112 106.975 106.975 107.825 -0.850 19311 6634 1 9 . 1 1 112 112 THR C C 112 175.160 175.160 174.464 0.696 19311 6635 1 9 . 1 1 112 112 THR CA C 112 60.029 60.029 60.792 -0.763 19311 6636 1 9 . 1 1 112 112 THR CB C 112 67.949 67.949 67.850 0.098 19311 6637 1 9 . 1 1 112 112 THR H H 112 6.484 6.484 7.658 -1.174 19311 6638 1 9 . 1 1 113 113 SER N N 113 118.281 118.281 119.015 -0.734 19311 6639 1 9 . 1 1 113 113 SER C C 113 173.813 173.813 174.076 -0.263 19311 6640 1 9 . 1 1 113 113 SER CA C 113 58.470 58.470 59.356 -0.886 19311 6641 1 9 . 1 1 113 113 SER CB C 113 62.730 62.730 62.087 0.644 19311 6642 1 9 . 1 1 113 113 SER H H 113 7.446 7.446 7.408 0.038 19311 6643 1 9 . 1 1 114 114 GLU N N 114 121.273 121.273 121.571 -0.298 19311 6644 1 9 . 1 1 114 114 GLU CA C 114 56.911 56.911 57.415 -0.504 19311 6645 1 9 . 1 1 114 114 GLU CB C 114 27.463 27.463 27.914 -0.451 19311 6646 1 9 . 1 1 114 114 GLU H H 114 8.350 8.350 8.204 0.146 19311 6647 1 9 . 1 1 115 115 THR N N 115 109.184 109.184 106.014 3.170 19311 6648 1 9 . 1 1 115 115 THR C C 115 177.031 177.031 176.287 0.744 19311 6649 1 9 . 1 1 115 115 THR CA C 115 61.908 61.908 62.244 -0.336 19311 6650 1 9 . 1 1 115 115 THR CB C 115 69.072 69.072 69.637 -0.565 19311 6651 1 9 . 1 1 115 115 THR H H 115 7.689 7.689 7.939 -0.250 19311 6652 1 9 . 1 1 116 116 THR N N 116 115.339 115.339 113.288 2.051 19311 6653 1 9 . 1 1 116 116 THR C C 116 175.023 175.023 174.569 0.454 19311 6654 1 9 . 1 1 116 116 THR CA C 116 63.834 63.834 63.150 0.684 19311 6655 1 9 . 1 1 116 116 THR CB C 116 68.130 68.130 68.741 -0.611 19311 6656 1 9 . 1 1 116 116 THR H H 116 7.979 7.979 8.349 -0.370 19311 6657 1 9 . 1 1 117 117 ASN N N 117 118.558 118.558 116.343 2.215 19311 6658 1 9 . 1 1 117 117 ASN C C 117 174.413 174.413 174.180 0.233 19311 6659 1 9 . 1 1 117 117 ASN CA C 117 53.549 53.549 51.067 2.482 19311 6660 1 9 . 1 1 117 117 ASN CB C 117 37.548 37.548 37.504 0.044 19311 6661 1 9 . 1 1 117 117 ASN H H 117 8.295 8.295 8.177 0.118 19311 6662 1 9 . 1 1 118 118 CYS N N 118 116.611 116.611 118.262 -1.651 19311 6663 1 9 . 1 1 118 118 CYS C C 118 174.430 174.430 173.098 1.332 19311 6664 1 9 . 1 1 118 118 CYS CA C 118 58.206 58.206 58.574 -0.368 19311 6665 1 9 . 1 1 118 118 CYS CB C 118 28.866 28.866 31.626 -2.760 19311 6666 1 9 . 1 1 118 118 CYS H H 118 7.548 7.548 7.887 -0.339 19311 6667 1 9 . 1 1 119 119 LEU N N 119 125.613 125.613 122.507 3.106 19311 6668 1 9 . 1 1 119 119 LEU C C 119 174.612 174.612 174.987 -0.375 19311 6669 1 9 . 1 1 119 119 LEU CA C 119 54.869 54.869 54.038 0.830 19311 6670 1 9 . 1 1 119 119 LEU CB C 119 42.394 42.394 44.762 -2.368 19311 6671 1 9 . 1 1 119 119 LEU H H 119 8.840 8.840 8.838 0.002 19311 6672 1 9 . 1 1 120 120 MET N N 120 128.079 128.079 123.954 4.125 19311 6673 1 9 . 1 1 120 120 MET C C 120 174.384 174.384 174.591 -0.207 19311 6674 1 9 . 1 1 120 120 MET CA C 120 53.292 53.292 53.985 -0.693 19311 6675 1 9 . 1 1 120 120 MET H H 120 9.274 9.274 8.931 0.343 19311 6676 1 9 . 1 1 121 121 ILE N N 121 120.093 120.093 120.129 -0.036 19311 6677 1 9 . 1 1 121 121 ILE C C 121 176.479 176.479 175.585 0.894 19311 6678 1 9 . 1 1 121 121 ILE CA C 121 55.536 55.536 58.755 -3.219 19311 6679 1 9 . 1 1 121 121 ILE CB C 121 36.335 36.335 40.717 -4.382 19311 6680 1 9 . 1 1 121 121 ILE H H 121 8.527 8.527 9.035 -0.508 19311 6681 1 9 . 1 1 122 122 ILE N N 122 119.127 119.127 121.226 -2.099 19311 6682 1 9 . 1 1 122 122 ILE C C 122 174.904 174.904 174.991 -0.087 19311 6683 1 9 . 1 1 122 122 ILE CA C 122 57.790 57.790 58.585 -0.795 19311 6684 1 9 . 1 1 122 122 ILE CB C 122 41.605 41.605 40.984 0.621 19311 6685 1 9 . 1 1 122 122 ILE H H 122 8.913 8.913 8.992 -0.079 19311 6686 1 9 . 1 1 123 123 GLY N N 123 106.647 106.647 109.047 -2.400 19311 6687 1 9 . 1 1 123 123 GLY C C 123 170.571 170.571 172.662 -2.091 19311 6688 1 9 . 1 1 123 123 GLY CA C 123 43.698 43.698 45.037 -1.339 19311 6689 1 9 . 1 1 123 123 GLY H H 123 8.373 8.373 8.742 -0.369 19311 6690 1 9 . 1 1 124 124 ASP N N 124 119.021 119.021 119.823 -0.802 19311 6691 1 9 . 1 1 124 124 ASP C C 124 174.481 174.481 174.712 -0.231 19311 6692 1 9 . 1 1 124 124 ASP CA C 124 53.993 53.993 55.057 -1.064 19311 6693 1 9 . 1 1 124 124 ASP CB C 124 39.163 39.163 40.152 -0.989 19311 6694 1 9 . 1 1 124 124 ASP H H 124 7.712 7.712 8.525 -0.813 19311 6695 1 9 . 1 1 125 125 ALA N N 125 122.997 122.997 119.187 3.810 19311 6696 1 9 . 1 1 125 125 ALA C C 125 175.798 175.798 175.901 -0.103 19311 6697 1 9 . 1 1 125 125 ALA CA C 125 49.258 49.258 50.275 -1.017 19311 6698 1 9 . 1 1 125 125 ALA CB C 125 23.466 23.466 22.167 1.299 19311 6699 1 9 . 1 1 125 125 ALA H H 125 8.502 8.502 7.947 0.555 19311 6700 1 9 . 1 1 126 126 ASP N N 126 121.643 121.643 119.259 2.384 19311 6701 1 9 . 1 1 126 126 ASP C C 126 174.129 174.129 174.220 -0.091 19311 6702 1 9 . 1 1 126 126 ASP CA C 126 51.984 51.984 52.523 -0.539 19311 6703 1 9 . 1 1 126 126 ASP CB C 126 43.380 43.380 44.626 -1.246 19311 6704 1 9 . 1 1 126 126 ASP H H 126 8.656 8.656 8.926 -0.270 19311 6705 1 9 . 1 1 127 127 LEU N N 127 124.869 124.869 121.764 3.105 19311 6706 1 9 . 1 1 127 127 LEU C C 127 175.007 175.007 174.907 0.100 19311 6707 1 9 . 1 1 127 127 LEU CA C 127 53.944 53.944 54.132 -0.188 19311 6708 1 9 . 1 1 127 127 LEU CB C 127 43.759 43.759 44.831 -1.072 19311 6709 1 9 . 1 1 127 127 LEU H H 127 8.886 8.886 8.351 0.535 19311 6710 1 9 . 1 1 128 128 VAL N N 128 122.817 122.817 123.724 -0.907 19311 6711 1 9 . 1 1 128 128 VAL C C 128 173.242 173.242 173.694 -0.452 19311 6712 1 9 . 1 1 128 128 VAL CA C 128 58.875 58.875 60.341 -1.466 19311 6713 1 9 . 1 1 128 128 VAL CB C 128 34.062 34.062 35.955 -1.893 19311 6714 1 9 . 1 1 128 128 VAL H H 128 8.737 8.737 8.843 -0.106 19311 6715 1 9 . 1 1 129 129 TYR N N 129 120.375 120.375 126.361 -5.986 19311 6716 1 9 . 1 1 129 129 TYR C C 129 176.280 176.280 175.996 0.284 19311 6717 1 9 . 1 1 129 129 TYR CA C 129 57.265 57.265 58.029 -0.764 19311 6718 1 9 . 1 1 129 129 TYR CB C 129 38.931 38.931 39.782 -0.851 19311 6719 1 9 . 1 1 129 129 TYR H H 129 8.585 8.585 8.684 -0.099 19311 6720 1 9 . 1 1 130 130 VAL N N 130 121.466 121.466 117.767 3.699 19311 6721 1 9 . 1 1 130 130 VAL C C 130 174.139 174.139 174.601 -0.462 19311 6722 1 9 . 1 1 130 130 VAL CA C 130 59.324 59.324 58.651 0.673 19311 6723 1 9 . 1 1 130 130 VAL CB C 130 34.193 34.193 35.146 -0.953 19311 6724 1 9 . 1 1 130 130 VAL H H 130 8.851 8.851 8.941 -0.090 19311 6725 1 9 . 1 1 131 131 THR N N 131 113.648 113.648 111.464 2.184 19311 6726 1 9 . 1 1 131 131 THR C C 131 175.861 175.861 175.651 0.210 19311 6727 1 9 . 1 1 131 131 THR CA C 131 59.748 59.748 59.576 0.172 19311 6728 1 9 . 1 1 131 131 THR CB C 131 70.864 70.864 71.240 -0.376 19311 6729 1 9 . 1 1 131 131 THR H H 131 7.768 7.768 8.076 -0.308 19311 6730 1 9 . 1 1 132 132 ASN N N 132 119.407 119.407 120.057 -0.650 19311 6731 1 9 . 1 1 132 132 ASN CA C 132 56.643 56.643 57.024 -0.381 19311 6732 1 9 . 1 1 132 132 ASN CB C 132 38.269 38.269 38.239 0.030 19311 6733 1 9 . 1 1 132 132 ASN H H 132 8.518 8.518 8.468 0.050 19311 6734 1 9 . 1 1 133 133 SER C C 133 176.763 176.763 176.446 0.317 19311 6735 1 9 . 1 1 133 133 SER CA C 133 61.287 61.287 60.915 0.372 19311 6736 1 9 . 1 1 134 134 ARG N N 134 124.193 124.193 122.561 1.632 19311 6737 1 9 . 1 1 134 134 ARG C C 134 178.393 178.393 178.743 -0.350 19311 6738 1 9 . 1 1 134 134 ARG CA C 134 57.034 57.034 58.091 -1.057 19311 6739 1 9 . 1 1 134 134 ARG CB C 134 29.051 29.051 29.654 -0.603 19311 6740 1 9 . 1 1 134 134 ARG H H 134 7.333 7.333 7.358 -0.025 19311 6741 1 9 . 1 1 135 135 ALA N N 135 124.165 124.165 122.186 1.979 19311 6742 1 9 . 1 1 135 135 ALA C C 135 180.063 180.063 179.628 0.435 19311 6743 1 9 . 1 1 135 135 ALA CA C 135 55.239 55.239 55.065 0.174 19311 6744 1 9 . 1 1 135 135 ALA CB C 135 16.063 16.063 18.174 -2.111 19311 6745 1 9 . 1 1 135 135 ALA H H 135 8.656 8.656 8.200 0.456 19311 6746 1 9 . 1 1 136 136 MET N N 136 117.770 117.770 117.905 -0.135 19311 6747 1 9 . 1 1 136 136 MET C C 136 178.837 178.837 177.684 1.153 19311 6748 1 9 . 1 1 136 136 MET CA C 136 58.214 58.214 58.836 -0.622 19311 6749 1 9 . 1 1 136 136 MET CB C 136 31.493 31.493 32.783 -1.290 19311 6750 1 9 . 1 1 136 136 MET H H 136 8.211 8.211 8.339 -0.128 19311 6751 1 9 . 1 1 137 137 SER N N 137 114.607 114.607 113.491 1.116 19311 6752 1 9 . 1 1 137 137 SER C C 137 176.196 176.196 176.578 -0.382 19311 6753 1 9 . 1 1 137 137 SER CA C 137 60.589 60.589 60.412 0.177 19311 6754 1 9 . 1 1 137 137 SER CB C 137 62.236 62.236 63.213 -0.977 19311 6755 1 9 . 1 1 137 137 SER H H 137 8.021 8.021 8.037 -0.016 19311 6756 1 9 . 1 1 138 138 HIS N N 138 120.793 120.793 120.799 -0.006 19311 6757 1 9 . 1 1 138 138 HIS C C 138 174.530 174.530 175.962 -1.432 19311 6758 1 9 . 1 1 138 138 HIS CA C 138 58.296 58.296 58.061 0.235 19311 6759 1 9 . 1 1 138 138 HIS CB C 138 29.593 29.593 30.511 -0.918 19311 6760 1 9 . 1 1 138 138 HIS H H 138 8.462 8.462 8.164 0.298 19311 6761 1 9 . 1 1 139 139 PHE N N 139 114.046 114.046 116.755 -2.709 19311 6762 1 9 . 1 1 139 139 PHE C C 139 173.540 173.540 175.324 -1.784 19311 6763 1 9 . 1 1 139 139 PHE CA C 139 58.722 58.722 58.787 -0.065 19311 6764 1 9 . 1 1 139 139 PHE CB C 139 38.583 38.583 39.437 -0.854 19311 6765 1 9 . 1 1 139 139 PHE H H 139 7.466 7.466 7.673 -0.207 19311 6766 1 9 . 1 1 140 140 LYS N N 140 110.734 110.734 115.276 -4.542 19311 6767 1 9 . 1 1 140 140 LYS C C 140 175.951 175.951 175.337 0.614 19311 6768 1 9 . 1 1 140 140 LYS CA C 140 56.106 56.106 56.705 -0.599 19311 6769 1 9 . 1 1 140 140 LYS CB C 140 27.887 27.887 29.414 -1.527 19311 6770 1 9 . 1 1 140 140 LYS H H 140 7.141 7.141 7.848 -0.707 19311 6771 1 9 . 1 1 141 141 ILE N N 141 114.716 114.716 119.689 -4.973 19311 6772 1 9 . 1 1 141 141 ILE C C 141 173.514 173.514 173.892 -0.378 19311 6773 1 9 . 1 1 141 141 ILE CA C 141 58.801 58.801 59.777 -0.976 19311 6774 1 9 . 1 1 141 141 ILE CB C 141 41.595 41.595 40.041 1.554 19311 6775 1 9 . 1 1 141 141 ILE H H 141 7.309 7.309 7.699 -0.390 19311 6776 1 9 . 1 1 142 142 SER N N 142 115.031 115.031 121.300 -6.269 19311 6777 1 9 . 1 1 142 142 SER C C 142 176.437 176.437 175.928 0.509 19311 6778 1 9 . 1 1 142 142 SER CA C 142 55.685 55.685 57.929 -2.244 19311 6779 1 9 . 1 1 142 142 SER CB C 142 62.911 62.911 63.886 -0.975 19311 6780 1 9 . 1 1 142 142 SER H H 142 7.814 7.814 8.360 -0.546 19311 6781 1 9 . 1 1 143 143 LEU N N 143 127.405 127.405 126.476 0.929 19311 6782 1 9 . 1 1 143 143 LEU C C 143 178.496 178.496 178.592 -0.096 19311 6783 1 9 . 1 1 143 143 LEU CA C 143 56.183 56.183 56.548 -0.366 19311 6784 1 9 . 1 1 143 143 LEU CB C 143 40.186 40.186 41.583 -1.397 19311 6785 1 9 . 1 1 143 143 LEU H H 143 8.735 8.735 9.240 -0.505 19311 6786 1 9 . 1 1 144 144 SER N N 144 114.479 114.479 115.062 -0.583 19311 6787 1 9 . 1 1 144 144 SER CA C 144 60.242 60.242 61.182 -0.940 19311 6788 1 9 . 1 1 144 144 SER CB C 144 61.694 61.694 62.912 -1.218 19311 6789 1 9 . 1 1 144 144 SER H H 144 8.140 8.140 7.849 0.291 19311 6790 1 9 . 1 1 145 145 ASN N N 145 117.299 117.299 117.703 -0.404 19311 6791 1 9 . 1 1 145 145 ASN C C 145 175.940 175.940 175.131 0.809 19311 6792 1 9 . 1 1 145 145 ASN CA C 145 54.269 54.269 53.475 0.794 19311 6793 1 9 . 1 1 145 145 ASN CB C 145 38.284 38.284 40.402 -2.118 19311 6794 1 9 . 1 1 145 145 ASN H H 145 7.735 7.735 7.554 0.181 19311 6795 1 9 . 1 1 146 146 ILE N N 146 112.479 112.479 113.750 -1.271 19311 6796 1 9 . 1 1 146 146 ILE C C 146 174.155 174.155 173.961 0.194 19311 6797 1 9 . 1 1 146 146 ILE CA C 146 60.838 60.838 60.325 0.513 19311 6798 1 9 . 1 1 146 146 ILE CB C 146 39.123 39.123 38.382 0.741 19311 6799 1 9 . 1 1 146 146 ILE H H 146 7.489 7.489 7.573 -0.084 19311 6800 1 9 . 1 1 147 147 SER N N 147 114.961 114.961 114.486 0.475 19311 6801 1 9 . 1 1 147 147 SER CA C 147 56.770 56.770 57.540 -0.770 19311 6802 1 9 . 1 1 147 147 SER CB C 147 64.077 64.077 65.851 -1.774 19311 6803 1 9 . 1 1 147 147 SER H H 147 7.794 7.794 7.520 0.274 19311 6804 1 9 . 1 1 148 148 SER C C 148 174.292 174.292 175.402 -1.110 19311 6805 1 9 . 1 1 148 148 SER CA C 148 58.192 58.192 58.826 -0.634 19311 6806 1 9 . 1 1 148 148 SER CB C 148 62.840 62.840 63.991 -1.151 19311 6807 1 9 . 1 1 149 149 LYS N N 149 122.096 122.096 121.924 0.172 19311 6808 1 9 . 1 1 149 149 LYS CA C 149 54.607 54.607 54.978 -0.371 19311 6809 1 9 . 1 1 149 149 LYS CB C 149 33.707 33.707 35.149 -1.442 19311 6810 1 9 . 1 1 149 149 LYS H H 149 8.049 8.049 7.589 0.460 19311 6811 1 9 . 1 1 150 150 GLU N N 150 120.070 120.070 120.351 -0.281 19311 6812 1 9 . 1 1 150 150 GLU C C 150 174.162 174.162 175.741 -1.579 19311 6813 1 9 . 1 1 150 150 GLU CA C 150 56.703 56.703 58.026 -1.323 19311 6814 1 9 . 1 1 150 150 GLU CB C 150 29.037 29.037 30.221 -1.184 19311 6815 1 9 . 1 1 150 150 GLU H H 150 8.613 8.613 8.755 -0.142 19311 6816 1 9 . 1 1 151 151 ILE N N 151 118.006 118.006 117.659 0.347 19311 6817 1 9 . 1 1 151 151 ILE C C 151 175.069 175.069 175.656 -0.587 19311 6818 1 9 . 1 1 151 151 ILE CA C 151 59.088 59.088 59.789 -0.701 19311 6819 1 9 . 1 1 151 151 ILE CB C 151 39.773 39.773 39.982 -0.209 19311 6820 1 9 . 1 1 151 151 ILE H H 151 6.873 6.873 7.294 -0.421 19311 6821 1 9 . 1 1 152 152 VAL N N 152 117.278 117.278 120.571 -3.293 19311 6822 1 9 . 1 1 152 152 VAL CA C 152 56.340 56.340 57.578 -1.238 19311 6823 1 9 . 1 1 152 152 VAL CB C 152 33.340 33.340 34.130 -0.790 19311 6824 1 9 . 1 1 152 152 VAL H H 152 8.401 8.401 8.865 -0.464 19311 6825 1 9 . 1 1 153 153 PRO C C 153 175.090 175.090 175.522 -0.432 19311 6826 1 9 . 1 1 153 153 PRO CA C 153 60.885 60.885 62.034 -1.149 19311 6827 1 9 . 1 1 153 153 PRO CB C 153 31.113 31.113 31.866 -0.753 19311 6828 1 9 . 1 1 154 154 VAL N N 154 124.951 124.951 120.551 4.400 19311 6829 1 9 . 1 1 154 154 VAL C C 154 174.325 174.325 174.761 -0.436 19311 6830 1 9 . 1 1 154 154 VAL CA C 154 59.700 59.700 60.725 -1.025 19311 6831 1 9 . 1 1 154 154 VAL CB C 154 35.364 35.364 36.456 -1.092 19311 6832 1 9 . 1 1 154 154 VAL H H 154 9.206 9.206 8.691 0.515 19311 6833 1 9 . 1 1 155 155 LEU N N 155 122.272 122.272 125.124 -2.852 19311 6834 1 9 . 1 1 155 155 LEU C C 155 174.865 174.865 175.468 -0.603 19311 6835 1 9 . 1 1 155 155 LEU CA C 155 52.543 52.543 53.846 -1.303 19311 6836 1 9 . 1 1 155 155 LEU CB C 155 43.016 43.016 42.841 0.175 19311 6837 1 9 . 1 1 155 155 LEU H H 155 7.818 7.818 8.688 -0.870 19311 6838 1 9 . 1 1 156 156 ASN N N 156 126.663 126.663 123.015 3.648 19311 6839 1 9 . 1 1 156 156 ASN C C 156 174.956 174.956 174.373 0.583 19311 6840 1 9 . 1 1 156 156 ASN CA C 156 51.381 51.381 51.923 -0.542 19311 6841 1 9 . 1 1 156 156 ASN CB C 156 38.588 38.588 40.455 -1.867 19311 6842 1 9 . 1 1 156 156 ASN H H 156 9.256 9.256 9.142 0.114 19311 6843 1 9 . 1 1 157 157 VAL N N 157 126.547 126.547 126.133 0.414 19311 6844 1 9 . 1 1 157 157 VAL C C 157 174.990 174.990 174.524 0.466 19311 6845 1 9 . 1 1 157 157 VAL CA C 157 62.737 62.737 62.100 0.637 19311 6846 1 9 . 1 1 157 157 VAL CB C 157 33.901 33.901 33.894 0.007 19311 6847 1 9 . 1 1 157 157 VAL H H 157 8.730 8.730 8.865 -0.135 19311 6848 1 9 . 1 1 158 158 ASN N N 158 122.925 122.925 123.512 -0.587 19311 6849 1 9 . 1 1 158 158 ASN C C 158 174.151 174.151 175.220 -1.069 19311 6850 1 9 . 1 1 158 158 ASN CA C 158 53.155 53.155 53.849 -0.694 19311 6851 1 9 . 1 1 158 158 ASN CB C 158 40.955 40.955 41.253 -0.298 19311 6852 1 9 . 1 1 158 158 ASN H H 158 8.086 8.086 8.428 -0.342 19311 6853 1 9 . 1 1 159 159 GLN N N 159 118.639 118.639 118.408 0.231 19311 6854 1 9 . 1 1 159 159 GLN C C 159 174.146 174.146 173.652 0.494 19311 6855 1 9 . 1 1 159 159 GLN CA C 159 54.960 54.960 54.351 0.609 19311 6856 1 9 . 1 1 159 159 GLN CB C 159 33.259 33.259 31.765 1.494 19311 6857 1 9 . 1 1 159 159 GLN H H 159 8.013 8.013 8.398 -0.385 19311 6858 1 9 . 1 1 160 160 ALA N N 160 121.359 121.359 125.749 -4.390 19311 6859 1 9 . 1 1 160 160 ALA C C 160 176.623 176.623 175.691 0.932 19311 6860 1 9 . 1 1 160 160 ALA CA C 160 51.336 51.336 51.206 0.130 19311 6861 1 9 . 1 1 160 160 ALA CB C 160 20.748 20.748 22.836 -2.088 19311 6862 1 9 . 1 1 160 160 ALA H H 160 8.277 8.277 8.513 -0.236 19311 6863 1 9 . 1 1 161 161 THR N N 161 115.028 115.028 116.079 -1.051 19311 6864 1 9 . 1 1 161 161 THR CA C 161 59.988 59.988 61.479 -1.491 19311 6865 1 9 . 1 1 161 161 THR CB C 161 69.766 69.766 71.284 -1.518 19311 6866 1 9 . 1 1 161 161 THR H H 161 9.101 9.101 8.696 0.405 19311 6867 1 9 . 1 1 162 162 ILE C C 162 175.079 175.079 174.372 0.707 19311 6868 1 9 . 1 1 162 162 ILE CA C 162 62.025 62.025 60.365 1.660 19311 6869 1 9 . 1 1 162 162 ILE CB C 162 39.360 39.360 40.483 -1.123 19311 6870 1 9 . 1 1 163 163 PHE N N 163 128.730 128.730 125.932 2.798 19311 6871 1 9 . 1 1 163 163 PHE CA C 163 59.063 59.063 56.719 2.344 19311 6872 1 9 . 1 1 163 163 PHE CB C 163 39.535 39.535 43.336 -3.801 19311 6873 1 9 . 1 1 163 163 PHE H H 163 9.310 9.310 9.015 0.295 19311 6874 1 9 . 1 1 165 165 ILE C C 165 175.305 175.305 175.408 -0.103 19311 6875 1 9 . 1 1 165 165 ILE CA C 165 60.713 60.713 62.495 -1.782 19311 6876 1 9 . 1 1 165 165 ILE CB C 165 38.555 38.555 38.960 -0.405 19311 6877 1 9 . 1 1 166 166 ASP N N 166 124.971 124.971 120.169 4.802 19311 6878 1 9 . 1 1 166 166 ASP C C 166 175.583 175.583 175.245 0.338 19311 6879 1 9 . 1 1 166 166 ASP CA C 166 53.988 53.988 52.403 1.585 19311 6880 1 9 . 1 1 166 166 ASP CB C 166 41.109 41.109 42.053 -0.944 19311 6881 1 9 . 1 1 166 166 ASP H H 166 8.400 8.400 8.253 0.147 19311 6882 1 9 . 1 1 167 167 GLN N N 167 122.323 122.323 123.860 -1.537 19311 6883 1 9 . 1 1 167 167 GLN C C 167 175.699 175.699 175.271 0.428 19311 6884 1 9 . 1 1 167 167 GLN CA C 167 55.012 55.012 56.455 -1.443 19311 6885 1 9 . 1 1 167 167 GLN CB C 167 28.830 28.830 29.478 -0.648 19311 6886 1 9 . 1 1 167 167 GLN H H 167 8.379 8.379 8.556 -0.177 19311 6887 1 9 . 1 1 168 168 VAL N N 168 122.545 122.545 125.650 -3.105 19311 6888 1 9 . 1 1 168 168 VAL C C 168 176.586 176.586 176.130 0.456 19311 6889 1 9 . 1 1 168 168 VAL CA C 168 62.315 62.315 61.040 1.275 19311 6890 1 9 . 1 1 168 168 VAL CB C 168 31.976 31.976 33.751 -1.774 19311 6891 1 9 . 1 1 168 168 VAL H H 168 8.097 8.097 8.225 -0.128 19311 6892 1 9 . 1 1 169 169 GLY N N 169 112.864 112.864 112.160 0.704 19311 6893 1 9 . 1 1 169 169 GLY CA C 169 44.508 44.508 44.115 0.393 19311 6894 1 9 . 1 1 169 169 GLY H H 169 8.349 8.349 8.442 -0.093 19311 6895 1 9 . 1 1 171 171 LEU C C 171 177.338 177.338 176.957 0.381 19311 6896 1 9 . 1 1 171 171 LEU CA C 171 54.598 54.598 54.951 -0.353 19311 6897 1 9 . 1 1 171 171 LEU CB C 171 40.893 40.893 41.989 -1.096 19311 6898 1 9 . 1 1 172 172 SER N N 172 117.418 117.418 121.948 -4.530 19311 6899 1 9 . 1 1 172 172 SER C C 172 172.759 172.759 175.209 -2.450 19311 6900 1 9 . 1 1 172 172 SER CA C 172 57.862 57.862 57.700 0.162 19311 6901 1 9 . 1 1 172 172 SER CB C 172 63.116 63.116 64.112 -0.996 19311 6902 1 9 . 1 1 172 172 SER H H 172 7.985 7.985 8.203 -0.218 19311 6903 1 9 . 1 1 173 173 THR N N 173 116.665 116.665 113.903 2.762 19311 6904 1 9 . 1 1 173 173 THR C C 173 173.571 173.571 173.418 0.153 19311 6905 1 9 . 1 1 173 173 THR CA C 173 61.126 61.126 62.120 -0.994 19311 6906 1 9 . 1 1 173 173 THR CB C 173 69.260 69.260 67.793 1.468 19311 6907 1 9 . 1 1 173 173 THR H H 173 7.922 7.922 8.587 -0.665 19311 6908 1 9 . 1 1 174 174 PHE N N 174 125.740 125.740 123.858 1.882 19311 6909 1 9 . 1 1 174 174 PHE CA C 174 54.742 54.742 55.173 -0.431 19311 6910 1 9 . 1 1 174 174 PHE CB C 174 38.364 38.364 41.801 -3.437 19311 6911 1 9 . 1 1 174 174 PHE H H 174 8.618 8.618 7.666 0.952 19311 6912 1 9 . 1 1 175 175 PRO C C 175 178.235 178.235 174.061 4.174 19311 6913 1 9 . 1 1 175 175 PRO CA C 175 61.555 61.555 62.016 -0.461 19311 6914 1 9 . 1 1 175 175 PRO CB C 175 31.606 31.606 32.596 -0.990 19311 6915 1 9 . 1 1 176 176 PHE N N 176 119.598 119.598 117.392 2.206 19311 6916 1 9 . 1 1 176 176 PHE C C 176 178.361 178.361 177.124 1.237 19311 6917 1 9 . 1 1 176 176 PHE CA C 176 59.631 59.631 59.499 0.132 19311 6918 1 9 . 1 1 176 176 PHE CB C 176 39.493 39.493 40.146 -0.653 19311 6919 1 9 . 1 1 176 176 PHE H H 176 9.179 9.179 8.060 1.119 19311 6920 1 9 . 1 1 177 177 VAL N N 177 121.283 121.283 119.110 2.173 19311 6921 1 9 . 1 1 177 177 VAL C C 177 174.922 174.922 176.756 -1.834 19311 6922 1 9 . 1 1 177 177 VAL CA C 177 62.670 62.670 66.640 -3.970 19311 6923 1 9 . 1 1 177 177 VAL CB C 177 31.437 31.437 32.015 -0.578 19311 6924 1 9 . 1 1 177 177 VAL H H 177 9.408 9.408 7.481 1.927 19311 6925 1 9 . 1 1 178 178 TYR N N 178 116.602 116.602 111.162 5.440 19311 6926 1 9 . 1 1 178 178 TYR C C 178 176.839 176.839 176.752 0.087 19311 6927 1 9 . 1 1 178 178 TYR CA C 178 56.575 56.575 56.168 0.407 19311 6928 1 9 . 1 1 178 178 TYR CB C 178 35.764 35.764 37.151 -1.387 19311 6929 1 9 . 1 1 178 178 TYR H H 178 6.166 6.166 8.059 -1.893 19311 6930 1 9 . 1 1 179 179 LYS N N 179 118.114 118.114 121.378 -3.264 19311 6931 1 9 . 1 1 179 179 LYS C C 179 176.384 176.384 177.026 -0.642 19311 6932 1 9 . 1 1 179 179 LYS CA C 179 57.540 57.540 56.575 0.965 19311 6933 1 9 . 1 1 179 179 LYS CB C 179 31.024 31.024 32.459 -1.435 19311 6934 1 9 . 1 1 179 179 LYS H H 179 7.554 7.554 7.492 0.062 19311 6935 1 9 . 1 1 180 180 TYR N N 180 117.346 117.346 117.578 -0.232 19311 6936 1 9 . 1 1 180 180 TYR C C 180 174.479 174.479 175.285 -0.806 19311 6937 1 9 . 1 1 180 180 TYR CA C 180 57.407 57.407 56.775 0.632 19311 6938 1 9 . 1 1 180 180 TYR CB C 180 38.020 38.020 38.178 -0.158 19311 6939 1 9 . 1 1 180 180 TYR H H 180 7.788 7.788 7.855 -0.067 19311 6940 1 10 . 1 1 13 13 THR C C 13 174.300 174.300 174.147 0.153 19311 6941 1 10 . 1 1 13 13 THR CA C 13 61.472 61.472 62.850 -1.378 19311 6942 1 10 . 1 1 13 13 THR CB C 13 69.201 69.201 69.021 0.180 19311 6943 1 10 . 1 1 14 14 ASP N N 14 123.228 123.228 125.768 -2.540 19311 6944 1 10 . 1 1 14 14 ASP C C 14 176.245 176.245 177.898 -1.653 19311 6945 1 10 . 1 1 14 14 ASP CA C 14 53.996 53.996 54.296 -0.300 19311 6946 1 10 . 1 1 14 14 ASP CB C 14 41.601 41.601 42.119 -0.518 19311 6947 1 10 . 1 1 14 14 ASP H H 14 8.321 8.321 8.427 -0.106 19311 6948 1 10 . 1 1 15 15 SER N N 15 115.463 115.463 116.416 -0.953 19311 6949 1 10 . 1 1 15 15 SER C C 15 175.991 175.991 175.620 0.371 19311 6950 1 10 . 1 1 15 15 SER CA C 15 58.020 58.020 60.619 -2.599 19311 6951 1 10 . 1 1 15 15 SER CB C 15 63.080 63.080 63.269 -0.188 19311 6952 1 10 . 1 1 15 15 SER H H 15 8.403 8.403 8.576 -0.173 19311 6953 1 10 . 1 1 16 16 VAL N N 16 124.538 124.538 119.464 5.074 19311 6954 1 10 . 1 1 16 16 VAL C C 16 176.097 176.097 176.517 -0.420 19311 6955 1 10 . 1 1 16 16 VAL CA C 16 62.750 62.750 64.389 -1.639 19311 6956 1 10 . 1 1 16 16 VAL CB C 16 30.859 30.859 31.443 -0.584 19311 6957 1 10 . 1 1 16 16 VAL H H 16 8.139 8.139 7.846 0.293 19311 6958 1 10 . 1 1 17 17 PHE N N 17 119.242 119.242 114.739 4.503 19311 6959 1 10 . 1 1 17 17 PHE C C 17 176.086 176.086 175.592 0.494 19311 6960 1 10 . 1 1 17 17 PHE CA C 17 58.934 58.934 58.406 0.528 19311 6961 1 10 . 1 1 17 17 PHE CB C 17 38.133 38.133 40.040 -1.907 19311 6962 1 10 . 1 1 17 17 PHE H H 17 7.575 7.575 7.555 0.020 19311 6963 1 10 . 1 1 18 18 LEU N N 18 121.292 121.292 122.832 -1.540 19311 6964 1 10 . 1 1 18 18 LEU C C 18 173.871 173.871 175.856 -1.985 19311 6965 1 10 . 1 1 18 18 LEU CA C 18 54.048 54.048 54.118 -0.070 19311 6966 1 10 . 1 1 18 18 LEU CB C 18 41.529 41.529 42.615 -1.086 19311 6967 1 10 . 1 1 18 18 LEU H H 18 7.586 7.586 7.980 -0.394 19311 6968 1 10 . 1 1 19 19 GLN N N 19 128.124 128.124 126.570 1.554 19311 6969 1 10 . 1 1 19 19 GLN CA C 19 53.131 53.131 52.615 0.516 19311 6970 1 10 . 1 1 19 19 GLN CB C 19 30.299 30.299 27.910 2.389 19311 6971 1 10 . 1 1 19 19 GLN H H 19 8.893 8.893 8.406 0.487 19311 6972 1 10 . 1 1 20 20 PRO C C 20 176.974 176.974 175.601 1.373 19311 6973 1 10 . 1 1 20 20 PRO CA C 20 62.459 62.459 63.609 -1.150 19311 6974 1 10 . 1 1 20 20 PRO CB C 20 29.693 29.693 31.985 -2.292 19311 6975 1 10 . 1 1 21 21 TRP N N 21 126.042 126.042 124.605 1.437 19311 6976 1 10 . 1 1 21 21 TRP C C 21 176.624 176.624 176.541 0.083 19311 6977 1 10 . 1 1 21 21 TRP CA C 21 58.241 58.241 58.063 0.178 19311 6978 1 10 . 1 1 21 21 TRP CB C 21 31.457 31.457 32.273 -0.816 19311 6979 1 10 . 1 1 21 21 TRP H H 21 9.813 9.813 9.466 0.347 19311 6980 1 10 . 1 1 22 22 ILE N N 22 128.281 128.281 120.195 8.086 19311 6981 1 10 . 1 1 22 22 ILE C C 22 176.776 176.776 177.916 -1.140 19311 6982 1 10 . 1 1 22 22 ILE CA C 22 66.628 66.628 64.990 1.638 19311 6983 1 10 . 1 1 22 22 ILE CB C 22 37.455 37.455 38.089 -0.634 19311 6984 1 10 . 1 1 22 22 ILE H H 22 8.438 8.438 8.654 -0.216 19311 6985 1 10 . 1 1 23 23 LYS N N 23 121.661 121.661 121.329 0.332 19311 6986 1 10 . 1 1 23 23 LYS C C 23 177.812 177.812 178.032 -0.220 19311 6987 1 10 . 1 1 23 23 LYS CA C 23 60.467 60.467 59.394 1.073 19311 6988 1 10 . 1 1 23 23 LYS CB C 23 31.055 31.055 32.037 -0.982 19311 6989 1 10 . 1 1 23 23 LYS H H 23 9.062 9.062 7.757 1.305 19311 6990 1 10 . 1 1 24 24 ALA N N 24 120.454 120.454 119.688 0.766 19311 6991 1 10 . 1 1 24 24 ALA C C 24 179.285 179.285 179.308 -0.023 19311 6992 1 10 . 1 1 24 24 ALA CA C 24 54.076 54.076 54.014 0.062 19311 6993 1 10 . 1 1 24 24 ALA CB C 24 17.220 17.220 17.923 -0.703 19311 6994 1 10 . 1 1 24 24 ALA H H 24 8.447 8.447 8.037 0.410 19311 6995 1 10 . 1 1 25 25 LEU N N 25 120.482 120.482 118.629 1.853 19311 6996 1 10 . 1 1 25 25 LEU C C 25 180.269 180.269 178.327 1.942 19311 6997 1 10 . 1 1 25 25 LEU CA C 25 58.102 58.102 56.180 1.922 19311 6998 1 10 . 1 1 25 25 LEU CB C 25 41.636 41.636 41.340 0.296 19311 6999 1 10 . 1 1 25 25 LEU H H 25 8.071 8.071 7.223 0.848 19311 7000 1 10 . 1 1 26 26 ILE N N 26 119.868 119.868 120.217 -0.349 19311 7001 1 10 . 1 1 26 26 ILE C C 26 179.617 179.617 177.873 1.744 19311 7002 1 10 . 1 1 26 26 ILE CA C 26 63.547 63.547 65.539 -1.992 19311 7003 1 10 . 1 1 26 26 ILE CB C 26 35.786 35.786 37.403 -1.617 19311 7004 1 10 . 1 1 26 26 ILE H H 26 8.158 8.158 7.370 0.788 19311 7005 1 10 . 1 1 27 27 GLU N N 27 122.067 122.067 117.973 4.094 19311 7006 1 10 . 1 1 27 27 GLU C C 27 179.103 179.103 177.685 1.418 19311 7007 1 10 . 1 1 27 27 GLU CA C 27 59.138 59.138 59.090 0.048 19311 7008 1 10 . 1 1 27 27 GLU CB C 27 28.461 28.461 29.342 -0.881 19311 7009 1 10 . 1 1 27 27 GLU H H 27 8.543 8.543 7.635 0.908 19311 7010 1 10 . 1 1 28 28 ASP N N 28 119.228 119.228 115.972 3.256 19311 7011 1 10 . 1 1 28 28 ASP C C 28 176.992 176.992 177.338 -0.346 19311 7012 1 10 . 1 1 28 28 ASP CA C 28 55.657 55.657 55.170 0.487 19311 7013 1 10 . 1 1 28 28 ASP CB C 28 40.403 40.403 41.407 -1.004 19311 7014 1 10 . 1 1 28 28 ASP H H 28 8.396 8.396 7.791 0.605 19311 7015 1 10 . 1 1 29 29 ASN N N 29 117.545 117.545 118.836 -1.291 19311 7016 1 10 . 1 1 29 29 ASN C C 29 174.277 174.277 177.126 -2.849 19311 7017 1 10 . 1 1 29 29 ASN CA C 29 53.694 53.694 54.807 -1.113 19311 7018 1 10 . 1 1 29 29 ASN CB C 29 40.069 40.069 39.002 1.067 19311 7019 1 10 . 1 1 29 29 ASN H H 29 7.536 7.536 8.168 -0.632 19311 7020 1 10 . 1 1 30 30 SER N N 30 115.444 115.444 115.262 0.182 19311 7021 1 10 . 1 1 30 30 SER C C 30 173.942 173.942 175.532 -1.590 19311 7022 1 10 . 1 1 30 30 SER CA C 30 58.804 58.804 60.630 -1.826 19311 7023 1 10 . 1 1 30 30 SER CB C 30 63.838 63.838 63.287 0.551 19311 7024 1 10 . 1 1 30 30 SER H H 30 7.704 7.704 8.112 -0.408 19311 7025 1 10 . 1 1 31 31 GLU N N 31 122.456 122.456 123.293 -0.837 19311 7026 1 10 . 1 1 31 31 GLU C C 31 176.234 176.234 176.491 -0.257 19311 7027 1 10 . 1 1 31 31 GLU CA C 31 55.633 55.633 55.343 0.290 19311 7028 1 10 . 1 1 31 31 GLU CB C 31 29.619 29.619 28.039 1.580 19311 7029 1 10 . 1 1 31 31 GLU H H 31 8.287 8.287 7.889 0.398 19311 7030 1 10 . 1 1 32 32 HIS N N 32 120.953 120.953 120.613 0.340 19311 7031 1 10 . 1 1 32 32 HIS C C 32 174.779 174.779 174.940 -0.161 19311 7032 1 10 . 1 1 32 32 HIS CA C 32 56.355 56.355 59.836 -3.481 19311 7033 1 10 . 1 1 32 32 HIS CB C 32 29.467 29.467 30.038 -0.571 19311 7034 1 10 . 1 1 32 32 HIS H H 32 8.207 8.207 8.066 0.141 19311 7035 1 10 . 1 1 33 33 ASP N N 33 120.471 120.471 116.410 4.061 19311 7036 1 10 . 1 1 33 33 ASP C C 33 175.225 175.225 175.727 -0.502 19311 7037 1 10 . 1 1 33 33 ASP CA C 33 54.277 54.277 54.435 -0.158 19311 7038 1 10 . 1 1 33 33 ASP CB C 33 40.007 40.007 41.025 -1.018 19311 7039 1 10 . 1 1 33 33 ASP H H 33 8.256 8.256 8.676 -0.420 19311 7040 1 10 . 1 1 34 34 GLN N N 34 118.522 118.522 117.337 1.185 19311 7041 1 10 . 1 1 34 34 GLN C C 34 175.275 175.275 175.697 -0.422 19311 7042 1 10 . 1 1 34 34 GLN CA C 34 55.388 55.388 55.618 -0.230 19311 7043 1 10 . 1 1 34 34 GLN CB C 34 28.586 28.586 31.140 -2.554 19311 7044 1 10 . 1 1 34 34 GLN H H 34 7.854 7.854 7.459 0.395 19311 7045 1 10 . 1 1 35 35 TYR N N 35 120.831 120.831 122.466 -1.635 19311 7046 1 10 . 1 1 35 35 TYR C C 35 174.882 174.882 175.714 -0.832 19311 7047 1 10 . 1 1 35 35 TYR CA C 35 56.752 56.752 58.766 -2.014 19311 7048 1 10 . 1 1 35 35 TYR CB C 35 36.712 36.712 39.335 -2.623 19311 7049 1 10 . 1 1 35 35 TYR H H 35 8.072 8.072 7.935 0.137 19311 7050 1 10 . 1 1 36 36 HIS N N 36 121.429 121.429 127.308 -5.879 19311 7051 1 10 . 1 1 36 36 HIS CA C 36 53.280 53.280 55.548 -2.268 19311 7052 1 10 . 1 1 36 36 HIS CB C 36 29.223 29.223 30.432 -1.209 19311 7053 1 10 . 1 1 36 36 HIS H H 36 7.788 7.788 8.043 -0.255 19311 7054 1 10 . 1 1 37 37 PRO C C 37 177.021 177.021 176.641 0.380 19311 7055 1 10 . 1 1 37 37 PRO CA C 37 62.947 62.947 65.288 -2.341 19311 7056 1 10 . 1 1 37 37 PRO CB C 37 31.735 31.735 32.129 -0.394 19311 7057 1 10 . 1 1 38 38 SER N N 38 117.550 117.550 110.977 6.573 19311 7058 1 10 . 1 1 38 38 SER C C 38 174.281 174.281 173.658 0.623 19311 7059 1 10 . 1 1 38 38 SER CA C 38 57.494 57.494 57.107 0.387 19311 7060 1 10 . 1 1 38 38 SER CB C 38 63.795 63.795 63.987 -0.192 19311 7061 1 10 . 1 1 38 38 SER H H 38 8.808 8.808 8.467 0.341 19311 7062 1 10 . 1 1 39 39 GLY N N 39 113.547 113.547 110.537 3.010 19311 7063 1 10 . 1 1 39 39 GLY C C 39 173.690 173.690 173.822 -0.132 19311 7064 1 10 . 1 1 39 39 GLY CA C 39 44.463 44.463 45.366 -0.903 19311 7065 1 10 . 1 1 39 39 GLY H H 39 8.564 8.564 7.617 0.947 19311 7066 1 10 . 1 1 40 40 HIS N N 40 121.529 121.529 124.601 -3.072 19311 7067 1 10 . 1 1 40 40 HIS C C 40 175.794 175.794 176.229 -0.435 19311 7068 1 10 . 1 1 40 40 HIS CA C 40 55.796 55.796 57.639 -1.843 19311 7069 1 10 . 1 1 40 40 HIS CB C 40 26.887 26.887 30.430 -3.543 19311 7070 1 10 . 1 1 40 40 HIS H H 40 9.071 9.071 8.263 0.808 19311 7071 1 10 . 1 1 41 41 VAL N N 41 115.423 115.423 117.847 -2.424 19311 7072 1 10 . 1 1 41 41 VAL C C 41 176.247 176.247 174.904 1.343 19311 7073 1 10 . 1 1 41 41 VAL CA C 41 62.424 62.424 62.428 -0.004 19311 7074 1 10 . 1 1 41 41 VAL CB C 41 31.201 31.201 33.937 -2.736 19311 7075 1 10 . 1 1 41 41 VAL H H 41 8.201 8.201 8.961 -0.760 19311 7076 1 10 . 1 1 42 42 ILE N N 42 120.213 120.213 121.028 -0.815 19311 7077 1 10 . 1 1 42 42 ILE CA C 42 58.655 58.655 58.250 0.405 19311 7078 1 10 . 1 1 42 42 ILE CB C 42 39.579 39.579 40.403 -0.824 19311 7079 1 10 . 1 1 42 42 ILE H H 42 7.305 7.305 8.157 -0.852 19311 7080 1 10 . 1 1 43 43 PRO C C 43 177.076 177.076 176.493 0.583 19311 7081 1 10 . 1 1 43 43 PRO CA C 43 62.446 62.446 63.176 -0.730 19311 7082 1 10 . 1 1 43 43 PRO CB C 43 32.486 32.486 32.701 -0.215 19311 7083 1 10 . 1 1 44 44 SER N N 44 116.530 116.530 115.806 0.724 19311 7084 1 10 . 1 1 44 44 SER C C 44 173.398 173.398 174.164 -0.766 19311 7085 1 10 . 1 1 44 44 SER CA C 44 57.636 57.636 58.615 -0.979 19311 7086 1 10 . 1 1 44 44 SER CB C 44 63.032 63.032 63.528 -0.496 19311 7087 1 10 . 1 1 44 44 SER H H 44 8.436 8.436 8.366 0.070 19311 7088 1 10 . 1 1 45 45 LEU N N 45 127.441 127.441 125.580 1.861 19311 7089 1 10 . 1 1 45 45 LEU C C 45 178.103 178.103 176.444 1.659 19311 7090 1 10 . 1 1 45 45 LEU CA C 45 52.534 52.534 53.167 -0.633 19311 7091 1 10 . 1 1 45 45 LEU CB C 45 42.737 42.737 44.384 -1.647 19311 7092 1 10 . 1 1 45 45 LEU H H 45 9.947 9.947 8.305 1.642 19311 7093 1 10 . 1 1 46 46 THR N N 46 114.571 114.571 111.117 3.454 19311 7094 1 10 . 1 1 46 46 THR C C 46 175.217 175.217 175.057 0.160 19311 7095 1 10 . 1 1 46 46 THR CA C 46 60.441 60.441 59.881 0.560 19311 7096 1 10 . 1 1 46 46 THR CB C 46 71.156 71.156 71.462 -0.306 19311 7097 1 10 . 1 1 46 46 THR H H 46 9.328 9.328 8.977 0.351 19311 7098 1 10 . 1 1 47 47 LYS N N 47 120.404 120.404 121.265 -0.861 19311 7099 1 10 . 1 1 47 47 LYS C C 47 179.434 179.434 178.551 0.883 19311 7100 1 10 . 1 1 47 47 LYS CA C 47 59.340 59.340 60.235 -0.895 19311 7101 1 10 . 1 1 47 47 LYS CB C 47 30.960 30.960 32.191 -1.231 19311 7102 1 10 . 1 1 47 47 LYS H H 47 8.690 8.690 8.701 -0.011 19311 7103 1 10 . 1 1 48 48 GLN N N 48 119.487 119.487 116.298 3.189 19311 7104 1 10 . 1 1 48 48 GLN C C 48 178.691 178.691 178.298 0.393 19311 7105 1 10 . 1 1 48 48 GLN CA C 48 58.356 58.356 58.534 -0.178 19311 7106 1 10 . 1 1 48 48 GLN CB C 48 27.365 27.365 28.416 -1.051 19311 7107 1 10 . 1 1 48 48 GLN H H 48 8.082 8.082 8.341 -0.259 19311 7108 1 10 . 1 1 49 49 ASP N N 49 122.541 122.541 120.185 2.356 19311 7109 1 10 . 1 1 49 49 ASP C C 49 175.759 175.759 177.939 -2.180 19311 7110 1 10 . 1 1 49 49 ASP CA C 49 57.516 57.516 56.513 1.003 19311 7111 1 10 . 1 1 49 49 ASP CB C 49 41.147 41.147 41.195 -0.048 19311 7112 1 10 . 1 1 49 49 ASP H H 49 7.743 7.743 7.923 -0.180 19311 7113 1 10 . 1 1 50 50 LEU N N 50 113.803 113.803 120.007 -6.204 19311 7114 1 10 . 1 1 50 50 LEU C C 50 178.243 178.243 179.298 -1.055 19311 7115 1 10 . 1 1 50 50 LEU CA C 50 56.063 56.063 57.468 -1.405 19311 7116 1 10 . 1 1 50 50 LEU CB C 50 41.162 41.162 41.780 -0.618 19311 7117 1 10 . 1 1 50 50 LEU H H 50 7.307 7.307 8.207 -0.900 19311 7118 1 10 . 1 1 51 51 ALA N N 51 120.417 120.417 121.370 -0.953 19311 7119 1 10 . 1 1 51 51 ALA C C 51 178.660 178.660 177.797 0.863 19311 7120 1 10 . 1 1 51 51 ALA CA C 51 53.718 53.718 54.326 -0.608 19311 7121 1 10 . 1 1 51 51 ALA CB C 51 18.193 18.193 19.477 -1.284 19311 7122 1 10 . 1 1 51 51 ALA H H 51 7.677 7.677 7.941 -0.264 19311 7123 1 10 . 1 1 52 52 LEU N N 52 116.642 116.642 117.283 -0.641 19311 7124 1 10 . 1 1 52 52 LEU CA C 52 51.307 51.307 52.435 -1.128 19311 7125 1 10 . 1 1 52 52 LEU CB C 52 42.099 42.099 42.236 -0.137 19311 7126 1 10 . 1 1 52 52 LEU H H 52 6.992 6.992 7.430 -0.438 19311 7127 1 10 . 1 1 53 53 PRO C C 53 177.594 177.594 177.917 -0.323 19311 7128 1 10 . 1 1 53 53 PRO CA C 53 65.466 65.466 65.021 0.445 19311 7129 1 10 . 1 1 53 53 PRO CB C 53 31.761 31.761 31.910 -0.149 19311 7130 1 10 . 1 1 54 54 HIS N N 54 112.752 112.752 111.845 0.907 19311 7131 1 10 . 1 1 54 54 HIS C C 54 175.187 175.187 174.672 0.515 19311 7132 1 10 . 1 1 54 54 HIS CA C 54 57.695 57.695 57.736 -0.041 19311 7133 1 10 . 1 1 54 54 HIS CB C 54 28.716 28.716 28.352 0.364 19311 7134 1 10 . 1 1 54 54 HIS H H 54 8.274 8.274 8.505 -0.231 19311 7135 1 10 . 1 1 55 55 MET N N 55 116.326 116.326 117.345 -1.019 19311 7136 1 10 . 1 1 55 55 MET C C 55 175.522 175.522 175.941 -0.419 19311 7137 1 10 . 1 1 55 55 MET CA C 55 53.185 53.185 54.066 -0.881 19311 7138 1 10 . 1 1 55 55 MET CB C 55 32.240 32.240 32.055 0.185 19311 7139 1 10 . 1 1 55 55 MET H H 55 7.254 7.254 7.186 0.068 19311 7140 1 10 . 1 1 56 56 SER N N 56 116.685 116.685 116.881 -0.196 19311 7141 1 10 . 1 1 56 56 SER CA C 56 54.269 54.269 54.461 -0.192 19311 7142 1 10 . 1 1 56 56 SER CB C 56 63.227 63.227 64.837 -1.610 19311 7143 1 10 . 1 1 56 56 SER H H 56 7.038 7.038 7.525 -0.487 19311 7144 1 10 . 1 1 57 57 PRO C C 57 178.714 178.714 178.701 0.013 19311 7145 1 10 . 1 1 57 57 PRO CA C 57 64.333 64.333 64.898 -0.565 19311 7146 1 10 . 1 1 57 57 PRO CB C 57 31.044 31.044 32.168 -1.124 19311 7147 1 10 . 1 1 58 58 THR N N 58 115.440 115.440 114.546 0.894 19311 7148 1 10 . 1 1 58 58 THR C C 58 175.811 175.811 175.468 0.343 19311 7149 1 10 . 1 1 58 58 THR CA C 58 65.411 65.411 66.488 -1.077 19311 7150 1 10 . 1 1 58 58 THR CB C 58 68.208 68.208 68.382 -0.174 19311 7151 1 10 . 1 1 58 58 THR H H 58 7.560 7.560 7.761 -0.201 19311 7152 1 10 . 1 1 59 59 ILE N N 59 122.823 122.823 119.210 3.613 19311 7153 1 10 . 1 1 59 59 ILE C C 59 176.672 176.672 178.178 -1.506 19311 7154 1 10 . 1 1 59 59 ILE CA C 59 64.230 64.230 64.198 0.032 19311 7155 1 10 . 1 1 59 59 ILE CB C 59 37.283 37.283 38.250 -0.967 19311 7156 1 10 . 1 1 59 59 ILE H H 59 7.182 7.182 7.334 -0.152 19311 7157 1 10 . 1 1 60 60 LEU N N 60 113.853 113.853 120.074 -6.221 19311 7158 1 10 . 1 1 60 60 LEU C C 60 179.288 179.288 179.298 -0.010 19311 7159 1 10 . 1 1 60 60 LEU CA C 60 56.589 56.589 57.982 -1.393 19311 7160 1 10 . 1 1 60 60 LEU CB C 60 40.734 40.734 42.228 -1.494 19311 7161 1 10 . 1 1 60 60 LEU H H 60 7.894 7.894 8.234 -0.340 19311 7162 1 10 . 1 1 61 61 THR N N 61 107.267 107.267 107.293 -0.026 19311 7163 1 10 . 1 1 61 61 THR C C 61 173.987 173.987 174.584 -0.597 19311 7164 1 10 . 1 1 61 61 THR CA C 61 61.516 61.516 62.426 -0.910 19311 7165 1 10 . 1 1 61 61 THR CB C 61 69.919 69.919 68.939 0.980 19311 7166 1 10 . 1 1 61 61 THR H H 61 7.427 7.427 8.234 -0.807 19311 7167 1 10 . 1 1 62 62 ASN N N 62 121.377 121.377 120.648 0.729 19311 7168 1 10 . 1 1 62 62 ASN CA C 62 49.977 49.977 50.801 -0.824 19311 7169 1 10 . 1 1 62 62 ASN CB C 62 39.885 39.885 39.959 -0.074 19311 7170 1 10 . 1 1 62 62 ASN H H 62 7.368 7.368 7.786 -0.418 19311 7171 1 10 . 1 1 63 63 PRO C C 63 176.868 176.868 178.132 -1.264 19311 7172 1 10 . 1 1 63 63 PRO CA C 63 64.130 64.130 65.355 -1.225 19311 7173 1 10 . 1 1 63 63 PRO CB C 63 32.275 32.275 32.011 0.264 19311 7174 1 10 . 1 1 64 64 CYS N N 64 113.208 113.208 114.284 -1.076 19311 7175 1 10 . 1 1 64 64 CYS C C 64 170.205 170.205 175.267 -5.062 19311 7176 1 10 . 1 1 64 64 CYS CA C 64 56.943 56.943 61.520 -4.577 19311 7177 1 10 . 1 1 64 64 CYS CB C 64 26.242 26.242 26.086 0.156 19311 7178 1 10 . 1 1 64 64 CYS H H 64 7.072 7.072 8.235 -1.163 19311 7179 1 10 . 1 1 65 65 HIS N N 65 108.987 108.987 114.886 -5.899 19311 7180 1 10 . 1 1 65 65 HIS C C 65 174.303 174.303 173.814 0.489 19311 7181 1 10 . 1 1 65 65 HIS CA C 65 56.141 56.141 55.422 0.719 19311 7182 1 10 . 1 1 65 65 HIS CB C 65 28.565 28.565 29.328 -0.763 19311 7183 1 10 . 1 1 65 65 HIS H H 65 6.651 6.651 7.362 -0.711 19311 7184 1 10 . 1 1 66 66 PHE N N 66 116.823 116.823 120.320 -3.497 19311 7185 1 10 . 1 1 66 66 PHE C C 66 174.308 174.308 174.743 -0.435 19311 7186 1 10 . 1 1 66 66 PHE CA C 66 56.990 56.990 57.217 -0.227 19311 7187 1 10 . 1 1 66 66 PHE CB C 66 41.535 41.535 41.180 0.355 19311 7188 1 10 . 1 1 66 66 PHE H H 66 7.548 7.548 7.627 -0.079 19311 7189 1 10 . 1 1 67 67 ALA N N 67 119.242 119.242 125.601 -6.359 19311 7190 1 10 . 1 1 67 67 ALA C C 67 175.495 175.495 175.165 0.330 19311 7191 1 10 . 1 1 67 67 ALA CA C 67 50.842 50.842 50.963 -0.121 19311 7192 1 10 . 1 1 67 67 ALA CB C 67 24.144 24.144 22.762 1.382 19311 7193 1 10 . 1 1 67 67 ALA H H 67 8.646 8.646 9.080 -0.434 19311 7194 1 10 . 1 1 68 68 LYS N N 68 118.338 118.338 123.470 -5.132 19311 7195 1 10 . 1 1 68 68 LYS C C 68 176.011 176.011 175.781 0.230 19311 7196 1 10 . 1 1 68 68 LYS CA C 68 54.557 54.557 54.789 -0.232 19311 7197 1 10 . 1 1 68 68 LYS CB C 68 34.575 34.575 34.255 0.320 19311 7198 1 10 . 1 1 68 68 LYS H H 68 8.373 8.373 8.179 0.194 19311 7199 1 10 . 1 1 69 69 ILE N N 69 126.321 126.321 127.235 -0.914 19311 7200 1 10 . 1 1 69 69 ILE C C 69 176.711 176.711 176.170 0.541 19311 7201 1 10 . 1 1 69 69 ILE CA C 69 61.581 61.581 62.951 -1.370 19311 7202 1 10 . 1 1 69 69 ILE CB C 69 37.161 37.161 37.801 -0.640 19311 7203 1 10 . 1 1 69 69 ILE H H 69 9.660 9.660 8.889 0.771 19311 7204 1 10 . 1 1 70 70 THR N N 70 118.154 118.154 117.421 0.733 19311 7205 1 10 . 1 1 70 70 THR C C 70 175.076 175.076 173.931 1.145 19311 7206 1 10 . 1 1 70 70 THR CA C 70 60.883 60.883 61.501 -0.618 19311 7207 1 10 . 1 1 70 70 THR CB C 70 68.643 68.643 71.574 -2.931 19311 7208 1 10 . 1 1 70 70 THR H H 70 8.785 8.785 8.590 0.195 19311 7209 1 10 . 1 1 71 71 LYS N N 71 122.877 122.877 120.039 2.838 19311 7210 1 10 . 1 1 71 71 LYS C C 71 173.355 173.355 173.274 0.081 19311 7211 1 10 . 1 1 71 71 LYS CA C 71 56.459 56.459 56.623 -0.164 19311 7212 1 10 . 1 1 71 71 LYS CB C 71 34.142 34.142 34.310 -0.168 19311 7213 1 10 . 1 1 71 71 LYS H H 71 7.088 7.088 7.243 -0.155 19311 7214 1 10 . 1 1 72 72 PHE N N 72 122.143 122.143 120.979 1.164 19311 7215 1 10 . 1 1 72 72 PHE C C 72 175.071 175.071 175.659 -0.588 19311 7216 1 10 . 1 1 72 72 PHE CA C 72 57.980 57.980 56.955 1.025 19311 7217 1 10 . 1 1 72 72 PHE CB C 72 39.359 39.359 41.663 -2.304 19311 7218 1 10 . 1 1 72 72 PHE H H 72 8.530 8.530 8.515 0.015 19311 7219 1 10 . 1 1 73 73 TYR N N 73 123.208 123.208 121.926 1.282 19311 7220 1 10 . 1 1 73 73 TYR C C 73 176.295 176.295 175.649 0.646 19311 7221 1 10 . 1 1 73 73 TYR CA C 73 60.464 60.464 59.749 0.715 19311 7222 1 10 . 1 1 73 73 TYR CB C 73 39.634 39.634 39.865 -0.231 19311 7223 1 10 . 1 1 73 73 TYR H H 73 9.437 9.437 9.244 0.193 19311 7224 1 10 . 1 1 74 74 ASN N N 74 113.786 113.786 114.889 -1.103 19311 7225 1 10 . 1 1 74 74 ASN C C 74 172.652 172.652 172.788 -0.136 19311 7226 1 10 . 1 1 74 74 ASN CA C 74 52.675 52.675 53.227 -0.552 19311 7227 1 10 . 1 1 74 74 ASN CB C 74 39.801 39.801 41.641 -1.840 19311 7228 1 10 . 1 1 74 74 ASN H H 74 7.993 7.993 7.895 0.098 19311 7229 1 10 . 1 1 75 75 VAL N N 75 124.913 124.913 121.260 3.653 19311 7230 1 10 . 1 1 75 75 VAL C C 75 175.179 175.179 175.245 -0.066 19311 7231 1 10 . 1 1 75 75 VAL CA C 75 61.422 61.422 61.382 0.040 19311 7232 1 10 . 1 1 75 75 VAL CB C 75 33.185 33.185 33.655 -0.470 19311 7233 1 10 . 1 1 75 75 VAL H H 75 7.721 7.721 8.492 -0.771 19311 7234 1 10 . 1 1 76 76 CYS N N 76 125.698 125.698 126.857 -1.159 19311 7235 1 10 . 1 1 76 76 CYS CA C 76 57.694 57.694 57.752 -0.058 19311 7236 1 10 . 1 1 76 76 CYS CB C 76 27.993 27.993 31.187 -3.194 19311 7237 1 10 . 1 1 76 76 CYS H H 76 8.677 8.677 9.338 -0.660 19311 7238 1 10 . 1 1 78 78 TYR N N 78 109.730 109.730 109.725 0.005 19311 7239 1 10 . 1 1 78 78 TYR C C 78 173.592 173.592 174.317 -0.725 19311 7240 1 10 . 1 1 78 78 TYR CA C 78 60.078 60.078 59.407 0.671 19311 7241 1 10 . 1 1 78 78 TYR CB C 78 35.627 35.627 36.702 -1.075 19311 7242 1 10 . 1 1 78 78 TYR H H 78 8.215 8.215 8.232 -0.017 19311 7243 1 10 . 1 1 79 79 LYS N N 79 119.181 119.181 118.559 0.622 19311 7244 1 10 . 1 1 79 79 LYS C C 79 175.198 175.198 175.140 0.058 19311 7245 1 10 . 1 1 79 79 LYS CA C 79 55.243 55.243 54.549 0.694 19311 7246 1 10 . 1 1 79 79 LYS CB C 79 33.522 33.522 36.864 -3.342 19311 7247 1 10 . 1 1 79 79 LYS H H 79 7.695 7.695 7.806 -0.111 19311 7248 1 10 . 1 1 80 80 VAL N N 80 118.700 118.700 122.497 -3.797 19311 7249 1 10 . 1 1 80 80 VAL C C 80 172.953 172.953 175.053 -2.100 19311 7250 1 10 . 1 1 80 80 VAL CA C 80 61.093 61.093 61.789 -0.696 19311 7251 1 10 . 1 1 80 80 VAL CB C 80 34.048 34.048 33.081 0.967 19311 7252 1 10 . 1 1 80 80 VAL H H 80 7.478 7.478 8.138 -0.660 19311 7253 1 10 . 1 1 81 81 TYR N N 81 128.065 128.065 127.152 0.913 19311 7254 1 10 . 1 1 81 81 TYR C C 81 175.948 175.948 174.647 1.301 19311 7255 1 10 . 1 1 81 81 TYR CA C 81 57.836 57.836 56.453 1.383 19311 7256 1 10 . 1 1 81 81 TYR CB C 81 37.594 37.594 39.577 -1.983 19311 7257 1 10 . 1 1 81 81 TYR H H 81 8.851 8.851 9.194 -0.343 19311 7258 1 10 . 1 1 82 82 ALA N N 82 130.227 130.227 125.911 4.316 19311 7259 1 10 . 1 1 82 82 ALA C C 82 174.291 174.291 175.283 -0.992 19311 7260 1 10 . 1 1 82 82 ALA CA C 82 51.702 51.702 51.007 0.695 19311 7261 1 10 . 1 1 82 82 ALA CB C 82 24.004 24.004 22.619 1.385 19311 7262 1 10 . 1 1 82 82 ALA H H 82 9.673 9.673 9.362 0.311 19311 7263 1 10 . 1 1 83 83 SER N N 83 112.455 112.455 113.046 -0.591 19311 7264 1 10 . 1 1 83 83 SER C C 83 175.055 175.055 173.578 1.477 19311 7265 1 10 . 1 1 83 83 SER CA C 83 56.656 56.656 56.875 -0.219 19311 7266 1 10 . 1 1 83 83 SER CB C 83 65.405 65.405 66.337 -0.932 19311 7267 1 10 . 1 1 83 83 SER H H 83 8.975 8.975 8.645 0.330 19311 7268 1 10 . 1 1 84 84 ILE N N 84 115.288 115.288 117.103 -1.815 19311 7269 1 10 . 1 1 84 84 ILE C C 84 173.569 173.569 173.793 -0.224 19311 7270 1 10 . 1 1 84 84 ILE CA C 84 57.822 57.822 58.597 -0.775 19311 7271 1 10 . 1 1 84 84 ILE CB C 84 41.310 41.310 42.796 -1.486 19311 7272 1 10 . 1 1 84 84 ILE H H 84 8.657 8.657 9.123 -0.466 19311 7273 1 10 . 1 1 85 85 ARG N N 85 116.138 116.138 119.346 -3.208 19311 7274 1 10 . 1 1 85 85 ARG C C 85 174.594 174.594 174.450 0.144 19311 7275 1 10 . 1 1 85 85 ARG CA C 85 52.721 52.721 54.565 -1.844 19311 7276 1 10 . 1 1 85 85 ARG CB C 85 33.188 33.188 34.576 -1.388 19311 7277 1 10 . 1 1 85 85 ARG H H 85 9.306 9.306 8.762 0.544 19311 7278 1 10 . 1 1 86 86 ASP N N 86 121.622 121.622 120.856 0.766 19311 7279 1 10 . 1 1 86 86 ASP C C 86 175.804 175.804 177.008 -1.204 19311 7280 1 10 . 1 1 86 86 ASP CA C 86 51.666 51.666 53.041 -1.375 19311 7281 1 10 . 1 1 86 86 ASP CB C 86 38.969 38.969 41.650 -2.681 19311 7282 1 10 . 1 1 86 86 ASP H H 86 7.506 7.506 8.100 -0.594 19311 7283 1 10 . 1 1 87 87 SER N N 87 109.487 109.487 115.415 -5.928 19311 7284 1 10 . 1 1 87 87 SER C C 87 174.343 174.343 175.491 -1.148 19311 7285 1 10 . 1 1 87 87 SER CA C 87 59.775 59.775 60.785 -1.010 19311 7286 1 10 . 1 1 87 87 SER CB C 87 62.824 62.824 63.433 -0.609 19311 7287 1 10 . 1 1 87 87 SER H H 87 6.452 6.452 8.709 -2.257 19311 7288 1 10 . 1 1 88 88 SER N N 88 117.714 117.714 115.288 2.426 19311 7289 1 10 . 1 1 88 88 SER C C 88 172.322 172.322 173.477 -1.155 19311 7290 1 10 . 1 1 88 88 SER CA C 88 60.625 60.625 58.766 1.859 19311 7291 1 10 . 1 1 88 88 SER CB C 88 66.392 66.392 64.009 2.383 19311 7292 1 10 . 1 1 88 88 SER H H 88 8.852 8.852 8.476 0.376 19311 7293 1 10 . 1 1 89 89 HIS N N 89 121.987 121.987 123.147 -1.160 19311 7294 1 10 . 1 1 89 89 HIS C C 89 173.253 173.253 174.962 -1.709 19311 7295 1 10 . 1 1 89 89 HIS CA C 89 55.530 55.530 57.480 -1.950 19311 7296 1 10 . 1 1 89 89 HIS CB C 89 36.622 36.622 30.887 5.735 19311 7297 1 10 . 1 1 89 89 HIS H H 89 9.568 9.568 8.456 1.112 19311 7298 1 10 . 1 1 90 90 GLN N N 90 112.816 112.816 117.450 -4.634 19311 7299 1 10 . 1 1 90 90 GLN C C 90 175.640 175.640 174.681 0.959 19311 7300 1 10 . 1 1 90 90 GLN CA C 90 53.060 53.060 54.604 -1.544 19311 7301 1 10 . 1 1 90 90 GLN CB C 90 32.977 32.977 31.387 1.591 19311 7302 1 10 . 1 1 90 90 GLN H H 90 7.942 7.942 8.211 -0.269 19311 7303 1 10 . 1 1 91 91 ILE N N 91 119.354 119.354 118.197 1.157 19311 7304 1 10 . 1 1 91 91 ILE C C 91 172.309 172.309 173.286 -0.977 19311 7305 1 10 . 1 1 91 91 ILE CA C 91 61.019 61.019 59.996 1.023 19311 7306 1 10 . 1 1 91 91 ILE CB C 91 41.077 41.077 42.385 -1.308 19311 7307 1 10 . 1 1 91 91 ILE H H 91 8.937 8.937 8.596 0.341 19311 7308 1 10 . 1 1 92 92 LEU N N 92 125.414 125.414 126.342 -0.928 19311 7309 1 10 . 1 1 92 92 LEU C C 92 175.848 175.848 176.083 -0.235 19311 7310 1 10 . 1 1 92 92 LEU CA C 92 55.084 55.084 54.794 0.290 19311 7311 1 10 . 1 1 92 92 LEU CB C 92 40.637 40.637 42.993 -2.357 19311 7312 1 10 . 1 1 92 92 LEU H H 92 7.192 7.192 8.744 -1.552 19311 7313 1 10 . 1 1 93 93 VAL N N 93 116.666 116.666 120.557 -3.891 19311 7314 1 10 . 1 1 93 93 VAL C C 93 173.013 173.013 174.167 -1.154 19311 7315 1 10 . 1 1 93 93 VAL CA C 93 58.637 58.637 60.858 -2.221 19311 7316 1 10 . 1 1 93 93 VAL CB C 93 35.844 35.844 35.275 0.570 19311 7317 1 10 . 1 1 93 93 VAL H H 93 9.225 9.225 9.308 -0.083 19311 7318 1 10 . 1 1 94 94 GLU N N 94 124.248 124.248 125.647 -1.399 19311 7319 1 10 . 1 1 94 94 GLU CA C 94 53.418 53.418 53.495 -0.077 19311 7320 1 10 . 1 1 94 94 GLU CB C 94 32.133 32.133 33.353 -1.220 19311 7321 1 10 . 1 1 94 94 GLU H H 94 8.549 8.549 8.960 -0.411 19311 7322 1 10 . 1 1 95 95 PHE C C 95 175.472 175.472 176.295 -0.823 19311 7323 1 10 . 1 1 95 95 PHE CA C 95 56.710 56.710 57.281 -0.571 19311 7324 1 10 . 1 1 95 95 PHE CB C 95 38.774 38.774 39.864 -1.090 19311 7325 1 10 . 1 1 96 96 SER N N 96 119.651 119.651 119.972 -0.321 19311 7326 1 10 . 1 1 96 96 SER C C 96 173.024 173.024 175.672 -2.648 19311 7327 1 10 . 1 1 96 96 SER CA C 96 57.233 57.233 57.528 -0.295 19311 7328 1 10 . 1 1 96 96 SER CB C 96 65.249 65.249 65.280 -0.031 19311 7329 1 10 . 1 1 96 96 SER H H 96 8.203 8.203 8.818 -0.615 19311 7330 1 10 . 1 1 97 97 GLN N N 97 120.894 120.894 123.509 -2.615 19311 7331 1 10 . 1 1 97 97 GLN C C 97 179.424 179.424 177.951 1.473 19311 7332 1 10 . 1 1 97 97 GLN CA C 97 58.799 58.799 60.111 -1.312 19311 7333 1 10 . 1 1 97 97 GLN CB C 97 26.863 26.863 28.398 -1.535 19311 7334 1 10 . 1 1 97 97 GLN H H 97 8.949 8.949 8.950 -0.001 19311 7335 1 10 . 1 1 98 98 GLU N N 98 121.467 121.467 119.373 2.094 19311 7336 1 10 . 1 1 98 98 GLU C C 98 177.401 177.401 178.028 -0.627 19311 7337 1 10 . 1 1 98 98 GLU CA C 98 59.056 59.056 59.515 -0.459 19311 7338 1 10 . 1 1 98 98 GLU CB C 98 28.654 28.654 29.345 -0.691 19311 7339 1 10 . 1 1 98 98 GLU H H 98 8.759 8.759 8.380 0.379 19311 7340 1 10 . 1 1 99 99 CYS N N 99 122.363 122.363 119.732 2.631 19311 7341 1 10 . 1 1 99 99 CYS C C 99 178.667 178.667 177.394 1.273 19311 7342 1 10 . 1 1 99 99 CYS CA C 99 61.683 61.683 63.096 -1.413 19311 7343 1 10 . 1 1 99 99 CYS CB C 99 27.002 27.002 26.637 0.365 19311 7344 1 10 . 1 1 99 99 CYS H H 99 8.194 8.194 7.877 0.317 19311 7345 1 10 . 1 1 100 100 VAL N N 100 120.067 120.067 120.137 -0.070 19311 7346 1 10 . 1 1 100 100 VAL C C 100 178.191 178.191 177.955 0.236 19311 7347 1 10 . 1 1 100 100 VAL CA C 100 66.503 66.503 67.004 -0.501 19311 7348 1 10 . 1 1 100 100 VAL CB C 100 31.299 31.299 31.585 -0.286 19311 7349 1 10 . 1 1 100 100 VAL H H 100 8.584 8.584 8.503 0.081 19311 7350 1 10 . 1 1 101 101 SER N N 101 117.155 117.155 115.849 1.306 19311 7351 1 10 . 1 1 101 101 SER C C 101 177.930 177.930 176.833 1.097 19311 7352 1 10 . 1 1 101 101 SER CA C 101 61.182 61.182 61.673 -0.491 19311 7353 1 10 . 1 1 101 101 SER CB C 101 62.112 62.112 63.126 -1.014 19311 7354 1 10 . 1 1 101 101 SER H H 101 8.685 8.685 8.361 0.324 19311 7355 1 10 . 1 1 102 102 ASN N N 102 120.931 120.931 120.051 0.880 19311 7356 1 10 . 1 1 102 102 ASN C C 102 178.047 178.047 177.294 0.753 19311 7357 1 10 . 1 1 102 102 ASN CA C 102 56.108 56.108 55.823 0.285 19311 7358 1 10 . 1 1 102 102 ASN CB C 102 37.456 37.456 38.226 -0.770 19311 7359 1 10 . 1 1 102 102 ASN H H 102 8.638 8.638 8.031 0.607 19311 7360 1 10 . 1 1 103 103 PHE N N 103 124.907 124.907 122.547 2.360 19311 7361 1 10 . 1 1 103 103 PHE C C 103 177.886 177.886 177.831 0.055 19311 7362 1 10 . 1 1 103 103 PHE CA C 103 61.734 61.734 61.625 0.109 19311 7363 1 10 . 1 1 103 103 PHE CB C 103 38.976 38.976 39.118 -0.142 19311 7364 1 10 . 1 1 103 103 PHE H H 103 8.495 8.495 8.775 -0.280 19311 7365 1 10 . 1 1 104 104 GLU N N 104 120.930 120.930 117.742 3.188 19311 7366 1 10 . 1 1 104 104 GLU C C 104 180.036 180.036 178.713 1.323 19311 7367 1 10 . 1 1 104 104 GLU CA C 104 59.070 59.070 58.855 0.215 19311 7368 1 10 . 1 1 104 104 GLU CB C 104 28.323 28.323 29.440 -1.117 19311 7369 1 10 . 1 1 104 104 GLU H H 104 8.614 8.614 8.336 0.278 19311 7370 1 10 . 1 1 105 105 ARG N N 105 119.201 119.201 117.686 1.515 19311 7371 1 10 . 1 1 105 105 ARG C C 105 178.097 178.097 178.460 -0.363 19311 7372 1 10 . 1 1 105 105 ARG CA C 105 58.179 58.179 58.611 -0.432 19311 7373 1 10 . 1 1 105 105 ARG CB C 105 29.305 29.305 30.581 -1.276 19311 7374 1 10 . 1 1 105 105 ARG H H 105 7.976 7.976 7.715 0.261 19311 7375 1 10 . 1 1 106 106 THR N N 106 114.725 114.725 110.272 4.453 19311 7376 1 10 . 1 1 106 106 THR C C 106 175.323 175.323 175.882 -0.559 19311 7377 1 10 . 1 1 106 106 THR CA C 106 65.164 65.164 64.420 0.744 19311 7378 1 10 . 1 1 106 106 THR CB C 106 68.964 68.964 69.133 -0.169 19311 7379 1 10 . 1 1 106 106 THR H H 106 7.744 7.744 7.851 -0.107 19311 7380 1 10 . 1 1 107 107 HIS N N 107 116.911 116.911 117.287 -0.376 19311 7381 1 10 . 1 1 107 107 HIS C C 107 174.769 174.769 174.150 0.619 19311 7382 1 10 . 1 1 107 107 HIS CA C 107 56.636 56.636 56.373 0.263 19311 7383 1 10 . 1 1 107 107 HIS CB C 107 29.833 29.833 30.675 -0.842 19311 7384 1 10 . 1 1 107 107 HIS H H 107 8.033 8.033 7.772 0.261 19311 7385 1 10 . 1 1 108 108 ASN N N 108 118.204 118.204 115.434 2.770 19311 7386 1 10 . 1 1 108 108 ASN C C 108 173.328 173.328 174.379 -1.051 19311 7387 1 10 . 1 1 108 108 ASN CA C 108 53.859 53.859 54.536 -0.677 19311 7388 1 10 . 1 1 108 108 ASN CB C 108 36.623 36.623 36.368 0.255 19311 7389 1 10 . 1 1 108 108 ASN H H 108 8.135 8.135 7.683 0.452 19311 7390 1 10 . 1 1 109 109 CYS N N 109 111.643 111.643 112.866 -1.223 19311 7391 1 10 . 1 1 109 109 CYS C C 109 171.934 171.934 173.605 -1.671 19311 7392 1 10 . 1 1 109 109 CYS CA C 109 55.233 55.233 55.876 -0.643 19311 7393 1 10 . 1 1 109 109 CYS CB C 109 29.518 29.518 30.522 -1.004 19311 7394 1 10 . 1 1 109 109 CYS H H 109 7.493 7.493 7.438 0.055 19311 7395 1 10 . 1 1 110 110 ARG N N 110 117.680 117.680 120.592 -2.912 19311 7396 1 10 . 1 1 110 110 ARG C C 110 179.018 179.018 177.861 1.157 19311 7397 1 10 . 1 1 110 110 ARG CA C 110 54.914 54.914 55.750 -0.836 19311 7398 1 10 . 1 1 110 110 ARG CB C 110 30.252 30.252 31.137 -0.885 19311 7399 1 10 . 1 1 110 110 ARG H H 110 8.271 8.271 8.449 -0.178 19311 7400 1 10 . 1 1 111 111 ILE N N 111 124.684 124.684 120.518 4.166 19311 7401 1 10 . 1 1 111 111 ILE CA C 111 63.115 63.115 64.076 -0.961 19311 7402 1 10 . 1 1 111 111 ILE CB C 111 37.530 37.530 37.104 0.426 19311 7403 1 10 . 1 1 111 111 ILE H H 111 9.551 9.551 8.711 0.840 19311 7404 1 10 . 1 1 112 112 THR N N 112 106.975 106.975 107.060 -0.085 19311 7405 1 10 . 1 1 112 112 THR C C 112 175.160 175.160 173.987 1.173 19311 7406 1 10 . 1 1 112 112 THR CA C 112 60.029 60.029 61.847 -1.819 19311 7407 1 10 . 1 1 112 112 THR CB C 112 67.949 67.949 68.377 -0.428 19311 7408 1 10 . 1 1 112 112 THR H H 112 6.484 6.484 7.693 -1.209 19311 7409 1 10 . 1 1 113 113 SER N N 113 118.281 118.281 116.941 1.340 19311 7410 1 10 . 1 1 113 113 SER C C 113 173.813 173.813 173.893 -0.080 19311 7411 1 10 . 1 1 113 113 SER CA C 113 58.470 58.470 57.918 0.552 19311 7412 1 10 . 1 1 113 113 SER CB C 113 62.730 62.730 63.114 -0.384 19311 7413 1 10 . 1 1 113 113 SER H H 113 7.446 7.446 7.340 0.106 19311 7414 1 10 . 1 1 114 114 GLU N N 114 121.273 121.273 123.520 -2.247 19311 7415 1 10 . 1 1 114 114 GLU CA C 114 56.911 56.911 57.352 -0.441 19311 7416 1 10 . 1 1 114 114 GLU CB C 114 27.463 27.463 28.225 -0.762 19311 7417 1 10 . 1 1 114 114 GLU H H 114 8.350 8.350 8.833 -0.483 19311 7418 1 10 . 1 1 115 115 THR N N 115 109.184 109.184 107.095 2.089 19311 7419 1 10 . 1 1 115 115 THR C C 115 177.031 177.031 176.196 0.835 19311 7420 1 10 . 1 1 115 115 THR CA C 115 61.908 61.908 62.924 -1.016 19311 7421 1 10 . 1 1 115 115 THR CB C 115 69.072 69.072 69.397 -0.325 19311 7422 1 10 . 1 1 115 115 THR H H 115 7.689 7.689 8.253 -0.564 19311 7423 1 10 . 1 1 116 116 THR N N 116 115.339 115.339 118.768 -3.429 19311 7424 1 10 . 1 1 116 116 THR C C 116 175.023 175.023 174.868 0.155 19311 7425 1 10 . 1 1 116 116 THR CA C 116 63.834 63.834 67.039 -3.205 19311 7426 1 10 . 1 1 116 116 THR CB C 116 68.130 68.130 68.880 -0.750 19311 7427 1 10 . 1 1 116 116 THR H H 116 7.979 7.979 8.690 -0.711 19311 7428 1 10 . 1 1 117 117 ASN N N 117 118.558 118.558 116.179 2.379 19311 7429 1 10 . 1 1 117 117 ASN C C 117 174.413 174.413 174.097 0.316 19311 7430 1 10 . 1 1 117 117 ASN CA C 117 53.549 53.549 51.652 1.897 19311 7431 1 10 . 1 1 117 117 ASN CB C 117 37.548 37.548 37.133 0.416 19311 7432 1 10 . 1 1 117 117 ASN H H 117 8.295 8.295 8.367 -0.072 19311 7433 1 10 . 1 1 118 118 CYS N N 118 116.611 116.611 117.802 -1.191 19311 7434 1 10 . 1 1 118 118 CYS C C 118 174.430 174.430 172.999 1.431 19311 7435 1 10 . 1 1 118 118 CYS CA C 118 58.206 58.206 58.561 -0.355 19311 7436 1 10 . 1 1 118 118 CYS CB C 118 28.866 28.866 31.735 -2.869 19311 7437 1 10 . 1 1 118 118 CYS H H 118 7.548 7.548 7.862 -0.314 19311 7438 1 10 . 1 1 119 119 LEU N N 119 125.613 125.613 121.775 3.838 19311 7439 1 10 . 1 1 119 119 LEU C C 119 174.612 174.612 174.880 -0.268 19311 7440 1 10 . 1 1 119 119 LEU CA C 119 54.869 54.869 54.368 0.501 19311 7441 1 10 . 1 1 119 119 LEU CB C 119 42.394 42.394 44.621 -2.228 19311 7442 1 10 . 1 1 119 119 LEU H H 119 8.840 8.840 8.716 0.124 19311 7443 1 10 . 1 1 120 120 MET N N 120 128.079 128.079 127.029 1.050 19311 7444 1 10 . 1 1 120 120 MET C C 120 174.384 174.384 174.377 0.007 19311 7445 1 10 . 1 1 120 120 MET CA C 120 53.292 53.292 54.110 -0.818 19311 7446 1 10 . 1 1 120 120 MET H H 120 9.274 9.274 8.657 0.617 19311 7447 1 10 . 1 1 121 121 ILE N N 121 120.093 120.093 127.155 -7.062 19311 7448 1 10 . 1 1 121 121 ILE C C 121 176.479 176.479 174.919 1.560 19311 7449 1 10 . 1 1 121 121 ILE CA C 121 55.536 55.536 59.758 -4.222 19311 7450 1 10 . 1 1 121 121 ILE CB C 121 36.335 36.335 39.294 -2.959 19311 7451 1 10 . 1 1 121 121 ILE H H 121 8.527 8.527 8.946 -0.419 19311 7452 1 10 . 1 1 122 122 ILE N N 122 119.127 119.127 127.162 -8.035 19311 7453 1 10 . 1 1 122 122 ILE C C 122 174.904 174.904 175.406 -0.502 19311 7454 1 10 . 1 1 122 122 ILE CA C 122 57.790 57.790 60.019 -2.229 19311 7455 1 10 . 1 1 122 122 ILE CB C 122 41.605 41.605 40.721 0.884 19311 7456 1 10 . 1 1 122 122 ILE H H 122 8.913 8.913 8.789 0.124 19311 7457 1 10 . 1 1 123 123 GLY N N 123 106.647 106.647 111.039 -4.392 19311 7458 1 10 . 1 1 123 123 GLY C C 123 170.571 170.571 172.549 -1.978 19311 7459 1 10 . 1 1 123 123 GLY CA C 123 43.698 43.698 44.337 -0.639 19311 7460 1 10 . 1 1 123 123 GLY H H 123 8.373 8.373 8.890 -0.517 19311 7461 1 10 . 1 1 124 124 ASP N N 124 119.021 119.021 120.694 -1.673 19311 7462 1 10 . 1 1 124 124 ASP C C 124 174.481 174.481 174.172 0.309 19311 7463 1 10 . 1 1 124 124 ASP CA C 124 53.993 53.993 55.221 -1.228 19311 7464 1 10 . 1 1 124 124 ASP CB C 124 39.163 39.163 40.174 -1.011 19311 7465 1 10 . 1 1 124 124 ASP H H 124 7.712 7.712 8.484 -0.772 19311 7466 1 10 . 1 1 125 125 ALA N N 125 122.997 122.997 123.125 -0.128 19311 7467 1 10 . 1 1 125 125 ALA C C 125 175.798 175.798 175.236 0.562 19311 7468 1 10 . 1 1 125 125 ALA CA C 125 49.258 49.258 50.398 -1.139 19311 7469 1 10 . 1 1 125 125 ALA CB C 125 23.466 23.466 23.327 0.139 19311 7470 1 10 . 1 1 125 125 ALA H H 125 8.502 8.502 7.952 0.550 19311 7471 1 10 . 1 1 126 126 ASP N N 126 121.643 121.643 121.356 0.287 19311 7472 1 10 . 1 1 126 126 ASP C C 126 174.129 174.129 175.086 -0.957 19311 7473 1 10 . 1 1 126 126 ASP CA C 126 51.984 51.984 52.472 -0.488 19311 7474 1 10 . 1 1 126 126 ASP CB C 126 43.380 43.380 44.174 -0.794 19311 7475 1 10 . 1 1 126 126 ASP H H 126 8.656 8.656 8.613 0.043 19311 7476 1 10 . 1 1 127 127 LEU N N 127 124.869 124.869 120.872 3.997 19311 7477 1 10 . 1 1 127 127 LEU C C 127 175.007 175.007 175.636 -0.629 19311 7478 1 10 . 1 1 127 127 LEU CA C 127 53.944 53.944 54.369 -0.425 19311 7479 1 10 . 1 1 127 127 LEU CB C 127 43.759 43.759 43.115 0.644 19311 7480 1 10 . 1 1 127 127 LEU H H 127 8.886 8.886 8.521 0.365 19311 7481 1 10 . 1 1 128 128 VAL N N 128 122.817 122.817 120.210 2.607 19311 7482 1 10 . 1 1 128 128 VAL C C 128 173.242 173.242 174.001 -0.759 19311 7483 1 10 . 1 1 128 128 VAL CA C 128 58.875 58.875 59.360 -0.485 19311 7484 1 10 . 1 1 128 128 VAL CB C 128 34.062 34.062 35.942 -1.880 19311 7485 1 10 . 1 1 128 128 VAL H H 128 8.737 8.737 8.551 0.186 19311 7486 1 10 . 1 1 129 129 TYR N N 129 120.375 120.375 126.754 -6.379 19311 7487 1 10 . 1 1 129 129 TYR C C 129 176.280 176.280 175.434 0.846 19311 7488 1 10 . 1 1 129 129 TYR CA C 129 57.265 57.265 58.698 -1.433 19311 7489 1 10 . 1 1 129 129 TYR CB C 129 38.931 38.931 38.403 0.528 19311 7490 1 10 . 1 1 129 129 TYR H H 129 8.585 8.585 8.855 -0.270 19311 7491 1 10 . 1 1 130 130 VAL N N 130 121.466 121.466 125.181 -3.715 19311 7492 1 10 . 1 1 130 130 VAL C C 130 174.139 174.139 175.327 -1.188 19311 7493 1 10 . 1 1 130 130 VAL CA C 130 59.324 59.324 60.368 -1.044 19311 7494 1 10 . 1 1 130 130 VAL CB C 130 34.193 34.193 35.027 -0.834 19311 7495 1 10 . 1 1 130 130 VAL H H 130 8.851 8.851 8.867 -0.016 19311 7496 1 10 . 1 1 131 131 THR N N 131 113.648 113.648 116.921 -3.273 19311 7497 1 10 . 1 1 131 131 THR C C 131 175.861 175.861 175.620 0.241 19311 7498 1 10 . 1 1 131 131 THR CA C 131 59.748 59.748 60.464 -0.716 19311 7499 1 10 . 1 1 131 131 THR CB C 131 70.864 70.864 70.477 0.387 19311 7500 1 10 . 1 1 131 131 THR H H 131 7.768 7.768 8.343 -0.575 19311 7501 1 10 . 1 1 132 132 ASN N N 132 119.407 119.407 120.792 -1.385 19311 7502 1 10 . 1 1 132 132 ASN CA C 132 56.643 56.643 57.196 -0.553 19311 7503 1 10 . 1 1 132 132 ASN CB C 132 38.269 38.269 38.388 -0.119 19311 7504 1 10 . 1 1 132 132 ASN H H 132 8.518 8.518 8.843 -0.325 19311 7505 1 10 . 1 1 133 133 SER C C 133 176.763 176.763 176.616 0.147 19311 7506 1 10 . 1 1 133 133 SER CA C 133 61.287 61.287 61.375 -0.088 19311 7507 1 10 . 1 1 134 134 ARG N N 134 124.193 124.193 120.927 3.266 19311 7508 1 10 . 1 1 134 134 ARG C C 134 178.393 178.393 178.650 -0.257 19311 7509 1 10 . 1 1 134 134 ARG CA C 134 57.034 57.034 59.292 -2.258 19311 7510 1 10 . 1 1 134 134 ARG CB C 134 29.051 29.051 30.318 -1.267 19311 7511 1 10 . 1 1 134 134 ARG H H 134 7.333 7.333 7.963 -0.630 19311 7512 1 10 . 1 1 135 135 ALA N N 135 124.165 124.165 123.287 0.878 19311 7513 1 10 . 1 1 135 135 ALA C C 135 180.063 180.063 179.912 0.151 19311 7514 1 10 . 1 1 135 135 ALA CA C 135 55.239 55.239 55.098 0.141 19311 7515 1 10 . 1 1 135 135 ALA CB C 135 16.063 16.063 18.079 -2.016 19311 7516 1 10 . 1 1 135 135 ALA H H 135 8.656 8.656 8.404 0.252 19311 7517 1 10 . 1 1 136 136 MET N N 136 117.770 117.770 117.654 0.116 19311 7518 1 10 . 1 1 136 136 MET C C 136 178.837 178.837 178.395 0.442 19311 7519 1 10 . 1 1 136 136 MET CA C 136 58.214 58.214 59.303 -1.089 19311 7520 1 10 . 1 1 136 136 MET CB C 136 31.493 31.493 32.527 -1.034 19311 7521 1 10 . 1 1 136 136 MET H H 136 8.211 8.211 8.414 -0.203 19311 7522 1 10 . 1 1 137 137 SER N N 137 114.607 114.607 114.725 -0.118 19311 7523 1 10 . 1 1 137 137 SER C C 137 176.196 176.196 176.570 -0.374 19311 7524 1 10 . 1 1 137 137 SER CA C 137 60.589 60.589 61.101 -0.512 19311 7525 1 10 . 1 1 137 137 SER CB C 137 62.236 62.236 62.999 -0.763 19311 7526 1 10 . 1 1 137 137 SER H H 137 8.021 8.021 8.080 -0.059 19311 7527 1 10 . 1 1 138 138 HIS N N 138 120.793 120.793 118.261 2.532 19311 7528 1 10 . 1 1 138 138 HIS C C 138 174.530 174.530 176.002 -1.472 19311 7529 1 10 . 1 1 138 138 HIS CA C 138 58.296 58.296 58.244 0.052 19311 7530 1 10 . 1 1 138 138 HIS CB C 138 29.593 29.593 30.803 -1.210 19311 7531 1 10 . 1 1 138 138 HIS H H 138 8.462 8.462 8.197 0.265 19311 7532 1 10 . 1 1 139 139 PHE N N 139 114.046 114.046 115.483 -1.437 19311 7533 1 10 . 1 1 139 139 PHE C C 139 173.540 173.540 175.341 -1.801 19311 7534 1 10 . 1 1 139 139 PHE CA C 139 58.722 58.722 59.210 -0.488 19311 7535 1 10 . 1 1 139 139 PHE CB C 139 38.583 38.583 39.699 -1.116 19311 7536 1 10 . 1 1 139 139 PHE H H 139 7.466 7.466 7.535 -0.069 19311 7537 1 10 . 1 1 140 140 LYS N N 140 110.734 110.734 115.834 -5.100 19311 7538 1 10 . 1 1 140 140 LYS C C 140 175.951 175.951 175.069 0.882 19311 7539 1 10 . 1 1 140 140 LYS CA C 140 56.106 56.106 56.830 -0.724 19311 7540 1 10 . 1 1 140 140 LYS CB C 140 27.887 27.887 29.507 -1.620 19311 7541 1 10 . 1 1 140 140 LYS H H 140 7.141 7.141 7.987 -0.846 19311 7542 1 10 . 1 1 141 141 ILE N N 141 114.716 114.716 117.950 -3.234 19311 7543 1 10 . 1 1 141 141 ILE C C 141 173.514 173.514 173.711 -0.197 19311 7544 1 10 . 1 1 141 141 ILE CA C 141 58.801 58.801 60.461 -1.660 19311 7545 1 10 . 1 1 141 141 ILE CB C 141 41.595 41.595 39.724 1.871 19311 7546 1 10 . 1 1 141 141 ILE H H 141 7.309 7.309 7.811 -0.502 19311 7547 1 10 . 1 1 142 142 SER N N 142 115.031 115.031 121.294 -6.263 19311 7548 1 10 . 1 1 142 142 SER C C 142 176.437 176.437 175.894 0.543 19311 7549 1 10 . 1 1 142 142 SER CA C 142 55.685 55.685 58.602 -2.917 19311 7550 1 10 . 1 1 142 142 SER CB C 142 62.911 62.911 63.913 -1.002 19311 7551 1 10 . 1 1 142 142 SER H H 142 7.814 7.814 8.170 -0.356 19311 7552 1 10 . 1 1 143 143 LEU N N 143 127.405 127.405 127.248 0.157 19311 7553 1 10 . 1 1 143 143 LEU C C 143 178.496 178.496 177.878 0.618 19311 7554 1 10 . 1 1 143 143 LEU CA C 143 56.183 56.183 55.971 0.211 19311 7555 1 10 . 1 1 143 143 LEU CB C 143 40.186 40.186 40.645 -0.459 19311 7556 1 10 . 1 1 143 143 LEU H H 143 8.735 8.735 9.324 -0.589 19311 7557 1 10 . 1 1 144 144 SER N N 144 114.479 114.479 115.040 -0.561 19311 7558 1 10 . 1 1 144 144 SER CA C 144 60.242 60.242 60.979 -0.737 19311 7559 1 10 . 1 1 144 144 SER CB C 144 61.694 61.694 63.185 -1.492 19311 7560 1 10 . 1 1 144 144 SER H H 144 8.140 8.140 7.858 0.282 19311 7561 1 10 . 1 1 145 145 ASN N N 145 117.299 117.299 118.215 -0.916 19311 7562 1 10 . 1 1 145 145 ASN C C 145 175.940 175.940 174.606 1.334 19311 7563 1 10 . 1 1 145 145 ASN CA C 145 54.269 54.269 53.715 0.554 19311 7564 1 10 . 1 1 145 145 ASN CB C 145 38.284 38.284 39.605 -1.321 19311 7565 1 10 . 1 1 145 145 ASN H H 145 7.735 7.735 7.796 -0.061 19311 7566 1 10 . 1 1 146 146 ILE N N 146 112.479 112.479 118.368 -5.889 19311 7567 1 10 . 1 1 146 146 ILE C C 146 174.155 174.155 174.652 -0.497 19311 7568 1 10 . 1 1 146 146 ILE CA C 146 60.838 60.838 61.059 -0.221 19311 7569 1 10 . 1 1 146 146 ILE CB C 146 39.123 39.123 39.449 -0.326 19311 7570 1 10 . 1 1 146 146 ILE H H 146 7.489 7.489 7.601 -0.112 19311 7571 1 10 . 1 1 147 147 SER N N 147 114.961 114.961 114.230 0.731 19311 7572 1 10 . 1 1 147 147 SER CA C 147 56.770 56.770 57.298 -0.528 19311 7573 1 10 . 1 1 147 147 SER CB C 147 64.077 64.077 65.490 -1.413 19311 7574 1 10 . 1 1 147 147 SER H H 147 7.794 7.794 8.185 -0.391 19311 7575 1 10 . 1 1 148 148 SER C C 148 174.292 174.292 174.700 -0.408 19311 7576 1 10 . 1 1 148 148 SER CA C 148 58.192 58.192 58.604 -0.412 19311 7577 1 10 . 1 1 148 148 SER CB C 148 62.840 62.840 63.179 -0.339 19311 7578 1 10 . 1 1 149 149 LYS N N 149 122.096 122.096 122.607 -0.511 19311 7579 1 10 . 1 1 149 149 LYS CA C 149 54.607 54.607 54.998 -0.391 19311 7580 1 10 . 1 1 149 149 LYS CB C 149 33.707 33.707 33.770 -0.063 19311 7581 1 10 . 1 1 149 149 LYS H H 149 8.049 8.049 7.679 0.370 19311 7582 1 10 . 1 1 150 150 GLU N N 150 120.070 120.070 118.580 1.490 19311 7583 1 10 . 1 1 150 150 GLU C C 150 174.162 174.162 174.954 -0.792 19311 7584 1 10 . 1 1 150 150 GLU CA C 150 56.703 56.703 56.520 0.183 19311 7585 1 10 . 1 1 150 150 GLU CB C 150 29.037 29.037 30.480 -1.443 19311 7586 1 10 . 1 1 150 150 GLU H H 150 8.613 8.613 8.571 0.042 19311 7587 1 10 . 1 1 151 151 ILE N N 151 118.006 118.006 118.776 -0.770 19311 7588 1 10 . 1 1 151 151 ILE C C 151 175.069 175.069 175.012 0.057 19311 7589 1 10 . 1 1 151 151 ILE CA C 151 59.088 59.088 59.743 -0.655 19311 7590 1 10 . 1 1 151 151 ILE CB C 151 39.773 39.773 41.004 -1.231 19311 7591 1 10 . 1 1 151 151 ILE H H 151 6.873 6.873 7.423 -0.550 19311 7592 1 10 . 1 1 152 152 VAL N N 152 117.278 117.278 121.316 -4.038 19311 7593 1 10 . 1 1 152 152 VAL CA C 152 56.340 56.340 57.659 -1.319 19311 7594 1 10 . 1 1 152 152 VAL CB C 152 33.340 33.340 34.691 -1.351 19311 7595 1 10 . 1 1 152 152 VAL H H 152 8.401 8.401 8.936 -0.535 19311 7596 1 10 . 1 1 153 153 PRO C C 153 175.090 175.090 176.694 -1.604 19311 7597 1 10 . 1 1 153 153 PRO CA C 153 60.885 60.885 62.028 -1.143 19311 7598 1 10 . 1 1 153 153 PRO CB C 153 31.113 31.113 30.506 0.607 19311 7599 1 10 . 1 1 154 154 VAL N N 154 124.951 124.951 119.611 5.340 19311 7600 1 10 . 1 1 154 154 VAL C C 154 174.325 174.325 174.586 -0.261 19311 7601 1 10 . 1 1 154 154 VAL CA C 154 59.700 59.700 58.627 1.073 19311 7602 1 10 . 1 1 154 154 VAL CB C 154 35.364 35.364 35.310 0.054 19311 7603 1 10 . 1 1 154 154 VAL H H 154 9.206 9.206 8.827 0.379 19311 7604 1 10 . 1 1 155 155 LEU N N 155 122.272 122.272 123.628 -1.356 19311 7605 1 10 . 1 1 155 155 LEU C C 155 174.865 174.865 175.011 -0.146 19311 7606 1 10 . 1 1 155 155 LEU CA C 155 52.543 52.543 53.787 -1.244 19311 7607 1 10 . 1 1 155 155 LEU CB C 155 43.016 43.016 42.798 0.218 19311 7608 1 10 . 1 1 155 155 LEU H H 155 7.818 7.818 8.837 -1.019 19311 7609 1 10 . 1 1 156 156 ASN N N 156 126.663 126.663 126.567 0.096 19311 7610 1 10 . 1 1 156 156 ASN C C 156 174.956 174.956 174.411 0.545 19311 7611 1 10 . 1 1 156 156 ASN CA C 156 51.381 51.381 51.819 -0.438 19311 7612 1 10 . 1 1 156 156 ASN CB C 156 38.588 38.588 39.256 -0.668 19311 7613 1 10 . 1 1 156 156 ASN H H 156 9.256 9.256 9.086 0.170 19311 7614 1 10 . 1 1 157 157 VAL N N 157 126.547 126.547 126.670 -0.123 19311 7615 1 10 . 1 1 157 157 VAL C C 157 174.990 174.990 174.853 0.137 19311 7616 1 10 . 1 1 157 157 VAL CA C 157 62.737 62.737 61.983 0.754 19311 7617 1 10 . 1 1 157 157 VAL CB C 157 33.901 33.901 33.652 0.249 19311 7618 1 10 . 1 1 157 157 VAL H H 157 8.730 8.730 8.786 -0.056 19311 7619 1 10 . 1 1 158 158 ASN N N 158 122.925 122.925 124.157 -1.232 19311 7620 1 10 . 1 1 158 158 ASN C C 158 174.151 174.151 175.401 -1.250 19311 7621 1 10 . 1 1 158 158 ASN CA C 158 53.155 53.155 53.586 -0.431 19311 7622 1 10 . 1 1 158 158 ASN CB C 158 40.955 40.955 40.680 0.275 19311 7623 1 10 . 1 1 158 158 ASN H H 158 8.086 8.086 8.772 -0.686 19311 7624 1 10 . 1 1 159 159 GLN N N 159 118.639 118.639 118.156 0.483 19311 7625 1 10 . 1 1 159 159 GLN C C 159 174.146 174.146 174.082 0.064 19311 7626 1 10 . 1 1 159 159 GLN CA C 159 54.960 54.960 54.470 0.490 19311 7627 1 10 . 1 1 159 159 GLN CB C 159 33.259 33.259 31.473 1.786 19311 7628 1 10 . 1 1 159 159 GLN H H 159 8.013 8.013 8.210 -0.198 19311 7629 1 10 . 1 1 160 160 ALA N N 160 121.359 121.359 125.773 -4.414 19311 7630 1 10 . 1 1 160 160 ALA C C 160 176.623 176.623 175.744 0.879 19311 7631 1 10 . 1 1 160 160 ALA CA C 160 51.336 51.336 51.617 -0.281 19311 7632 1 10 . 1 1 160 160 ALA CB C 160 20.748 20.748 22.624 -1.876 19311 7633 1 10 . 1 1 160 160 ALA H H 160 8.277 8.277 8.552 -0.275 19311 7634 1 10 . 1 1 161 161 THR N N 161 115.028 115.028 114.295 0.733 19311 7635 1 10 . 1 1 161 161 THR CA C 161 59.988 59.988 61.030 -1.042 19311 7636 1 10 . 1 1 161 161 THR CB C 161 69.766 69.766 71.690 -1.924 19311 7637 1 10 . 1 1 161 161 THR H H 161 9.101 9.101 8.394 0.707 19311 7638 1 10 . 1 1 162 162 ILE C C 162 175.079 175.079 174.835 0.244 19311 7639 1 10 . 1 1 162 162 ILE CA C 162 62.025 62.025 59.273 2.752 19311 7640 1 10 . 1 1 162 162 ILE CB C 162 39.360 39.360 40.129 -0.769 19311 7641 1 10 . 1 1 163 163 PHE N N 163 128.730 128.730 124.799 3.931 19311 7642 1 10 . 1 1 163 163 PHE CA C 163 59.063 59.063 56.974 2.089 19311 7643 1 10 . 1 1 163 163 PHE CB C 163 39.535 39.535 43.235 -3.700 19311 7644 1 10 . 1 1 163 163 PHE H H 163 9.310 9.310 9.187 0.123 19311 7645 1 10 . 1 1 165 165 ILE C C 165 175.305 175.305 176.163 -0.858 19311 7646 1 10 . 1 1 165 165 ILE CA C 165 60.713 60.713 63.139 -2.426 19311 7647 1 10 . 1 1 165 165 ILE CB C 165 38.555 38.555 38.289 0.266 19311 7648 1 10 . 1 1 166 166 ASP N N 166 124.971 124.971 119.635 5.336 19311 7649 1 10 . 1 1 166 166 ASP C C 166 175.583 175.583 175.111 0.472 19311 7650 1 10 . 1 1 166 166 ASP CA C 166 53.988 53.988 52.492 1.496 19311 7651 1 10 . 1 1 166 166 ASP CB C 166 41.109 41.109 41.762 -0.653 19311 7652 1 10 . 1 1 166 166 ASP H H 166 8.400 8.400 8.255 0.145 19311 7653 1 10 . 1 1 167 167 GLN N N 167 122.323 122.323 123.312 -0.989 19311 7654 1 10 . 1 1 167 167 GLN C C 167 175.699 175.699 175.762 -0.063 19311 7655 1 10 . 1 1 167 167 GLN CA C 167 55.012 55.012 56.223 -1.211 19311 7656 1 10 . 1 1 167 167 GLN CB C 167 28.830 28.830 29.938 -1.108 19311 7657 1 10 . 1 1 167 167 GLN H H 167 8.379 8.379 8.655 -0.276 19311 7658 1 10 . 1 1 168 168 VAL N N 168 122.545 122.545 116.322 6.223 19311 7659 1 10 . 1 1 168 168 VAL C C 168 176.586 176.586 176.198 0.388 19311 7660 1 10 . 1 1 168 168 VAL CA C 168 62.315 62.315 59.820 2.495 19311 7661 1 10 . 1 1 168 168 VAL CB C 168 31.976 31.976 34.772 -2.796 19311 7662 1 10 . 1 1 168 168 VAL H H 168 8.097 8.097 7.655 0.442 19311 7663 1 10 . 1 1 169 169 GLY N N 169 112.864 112.864 108.557 4.307 19311 7664 1 10 . 1 1 169 169 GLY CA C 169 44.508 44.508 44.293 0.215 19311 7665 1 10 . 1 1 169 169 GLY H H 169 8.349 8.349 8.386 -0.037 19311 7666 1 10 . 1 1 171 171 LEU C C 171 177.338 177.338 175.697 1.641 19311 7667 1 10 . 1 1 171 171 LEU CA C 171 54.598 54.598 56.504 -1.906 19311 7668 1 10 . 1 1 171 171 LEU CB C 171 40.893 40.893 42.297 -1.404 19311 7669 1 10 . 1 1 172 172 SER N N 172 117.418 117.418 121.159 -3.741 19311 7670 1 10 . 1 1 172 172 SER C C 172 172.759 172.759 173.836 -1.077 19311 7671 1 10 . 1 1 172 172 SER CA C 172 57.862 57.862 57.126 0.736 19311 7672 1 10 . 1 1 172 172 SER CB C 172 63.116 63.116 65.994 -2.878 19311 7673 1 10 . 1 1 172 172 SER H H 172 7.985 7.985 7.957 0.028 19311 7674 1 10 . 1 1 173 173 THR N N 173 116.665 116.665 114.457 2.208 19311 7675 1 10 . 1 1 173 173 THR C C 173 173.571 173.571 173.679 -0.108 19311 7676 1 10 . 1 1 173 173 THR CA C 173 61.126 61.126 61.927 -0.801 19311 7677 1 10 . 1 1 173 173 THR CB C 173 69.260 69.260 67.852 1.409 19311 7678 1 10 . 1 1 173 173 THR H H 173 7.922 7.922 8.397 -0.475 19311 7679 1 10 . 1 1 174 174 PHE N N 174 125.740 125.740 123.461 2.279 19311 7680 1 10 . 1 1 174 174 PHE CA C 174 54.742 54.742 55.664 -0.922 19311 7681 1 10 . 1 1 174 174 PHE CB C 174 38.364 38.364 39.644 -1.280 19311 7682 1 10 . 1 1 174 174 PHE H H 174 8.618 8.618 7.901 0.717 19311 7683 1 10 . 1 1 175 175 PRO C C 175 178.235 178.235 176.084 2.151 19311 7684 1 10 . 1 1 175 175 PRO CA C 175 61.555 61.555 63.163 -1.608 19311 7685 1 10 . 1 1 175 175 PRO CB C 175 31.606 31.606 32.286 -0.680 19311 7686 1 10 . 1 1 176 176 PHE N N 176 119.598 119.598 121.426 -1.828 19311 7687 1 10 . 1 1 176 176 PHE C C 176 178.361 178.361 177.976 0.385 19311 7688 1 10 . 1 1 176 176 PHE CA C 176 59.631 59.631 58.786 0.845 19311 7689 1 10 . 1 1 176 176 PHE CB C 176 39.493 39.493 39.762 -0.269 19311 7690 1 10 . 1 1 176 176 PHE H H 176 9.179 9.179 8.867 0.312 19311 7691 1 10 . 1 1 177 177 VAL N N 177 121.283 121.283 124.211 -2.928 19311 7692 1 10 . 1 1 177 177 VAL C C 177 174.922 174.922 177.078 -2.156 19311 7693 1 10 . 1 1 177 177 VAL CA C 177 62.670 62.670 65.023 -2.353 19311 7694 1 10 . 1 1 177 177 VAL CB C 177 31.437 31.437 31.874 -0.437 19311 7695 1 10 . 1 1 177 177 VAL H H 177 9.408 9.408 8.078 1.330 19311 7696 1 10 . 1 1 178 178 TYR N N 178 116.602 116.602 118.599 -1.997 19311 7697 1 10 . 1 1 178 178 TYR C C 178 176.839 176.839 177.689 -0.850 19311 7698 1 10 . 1 1 178 178 TYR CA C 178 56.575 56.575 58.501 -1.926 19311 7699 1 10 . 1 1 178 178 TYR CB C 178 35.764 35.764 36.829 -1.065 19311 7700 1 10 . 1 1 178 178 TYR H H 178 6.166 6.166 8.274 -2.108 19311 7701 1 10 . 1 1 179 179 LYS N N 179 118.114 118.114 117.953 0.161 19311 7702 1 10 . 1 1 179 179 LYS C C 179 176.384 176.384 176.543 -0.159 19311 7703 1 10 . 1 1 179 179 LYS CA C 179 57.540 57.540 57.793 -0.253 19311 7704 1 10 . 1 1 179 179 LYS CB C 179 31.024 31.024 32.024 -1.000 19311 7705 1 10 . 1 1 179 179 LYS H H 179 7.554 7.554 7.733 -0.179 19311 7706 1 10 . 1 1 180 180 TYR N N 180 117.346 117.346 116.302 1.044 19311 7707 1 10 . 1 1 180 180 TYR C C 180 174.479 174.479 175.311 -0.832 19311 7708 1 10 . 1 1 180 180 TYR CA C 180 57.407 57.407 57.464 -0.056 19311 7709 1 10 . 1 1 180 180 TYR CB C 180 38.020 38.020 38.385 -0.365 19311 7710 1 10 . 1 1 180 180 TYR H H 180 7.788 7.788 7.594 0.194 19311 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 150 2.913 -0.251 2.911 19311 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 19311 3 1 1 "Average Difference" C 146 0.996 0.054 0.998 19311 4 1 1 "Average Difference" CA 165 1.126 0.466 1.029 19311 5 1 1 "Average Difference" CB 160 1.433 0.707 1.250 19311 6 1 1 "Average Difference" HN 150 0.536 0.051 0.536 19311 7 1 2 "Average Difference" N 150 3.005 -0.095 3.014 19311 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 19311 9 1 2 "Average Difference" C 146 1.069 0.072 1.070 19311 10 1 2 "Average Difference" CA 165 1.143 0.343 1.094 19311 11 1 2 "Average Difference" CB 160 1.353 0.676 1.176 19311 12 1 2 "Average Difference" HN 150 0.575 0.038 0.575 19311 13 1 3 "Average Difference" N 150 3.183 0.143 3.191 19311 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 19311 15 1 3 "Average Difference" C 146 1.026 0.007 1.030 19311 16 1 3 "Average Difference" CA 165 1.206 0.394 1.143 19311 17 1 3 "Average Difference" CB 160 1.449 0.742 1.249 19311 18 1 3 "Average Difference" HN 150 0.582 0.044 0.582 19311 19 1 4 "Average Difference" N 150 3.481 -0.302 3.479 19311 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 19311 21 1 4 "Average Difference" C 146 1.019 0.052 1.021 19311 22 1 4 "Average Difference" CA 165 1.202 0.421 1.130 19311 23 1 4 "Average Difference" CB 160 1.436 0.754 1.226 19311 24 1 4 "Average Difference" HN 150 0.569 0.014 0.570 19311 25 1 5 "Average Difference" N 150 3.101 -0.066 3.111 19311 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 19311 27 1 5 "Average Difference" C 146 1.065 0.090 1.065 19311 28 1 5 "Average Difference" CA 165 1.258 0.419 1.190 19311 29 1 5 "Average Difference" CB 160 1.428 0.717 1.238 19311 30 1 5 "Average Difference" HN 150 0.584 0.030 0.585 19311 31 1 6 "Average Difference" N 150 3.155 -0.091 3.164 19311 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 19311 33 1 6 "Average Difference" C 146 1.045 0.037 1.048 19311 34 1 6 "Average Difference" CA 165 1.266 0.427 1.195 19311 35 1 6 "Average Difference" CB 160 1.407 0.718 1.214 19311 36 1 6 "Average Difference" HN 150 0.625 0.028 0.627 19311 37 1 7 "Average Difference" N 150 3.147 0.029 3.158 19311 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 19311 39 1 7 "Average Difference" C 146 1.069 0.057 1.071 19311 40 1 7 "Average Difference" CA 165 1.274 0.513 1.170 19311 41 1 7 "Average Difference" CB 160 1.438 0.688 1.267 19311 42 1 7 "Average Difference" HN 150 0.599 0.045 0.599 19311 43 1 8 "Average Difference" N 150 3.331 0.170 3.338 19311 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 19311 45 1 8 "Average Difference" C 146 1.037 0.050 1.039 19311 46 1 8 "Average Difference" CA 165 1.255 0.440 1.179 19311 47 1 8 "Average Difference" CB 160 1.306 0.625 1.150 19311 48 1 8 "Average Difference" HN 150 0.592 0.016 0.594 19311 49 1 9 "Average Difference" N 150 2.868 -0.134 2.874 19311 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 19311 51 1 9 "Average Difference" C 146 1.033 0.071 1.034 19311 52 1 9 "Average Difference" CA 165 1.078 0.362 1.018 19311 53 1 9 "Average Difference" CB 160 1.366 0.690 1.183 19311 54 1 9 "Average Difference" HN 150 0.571 0.008 0.573 19311 55 1 10 "Average Difference" N 150 3.053 0.132 3.061 19311 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 19311 57 1 10 "Average Difference" C 146 1.070 0.130 1.065 19311 58 1 10 "Average Difference" CA 165 1.260 0.510 1.156 19311 59 1 10 "Average Difference" CB 160 1.408 0.672 1.241 19311 60 1 10 "Average Difference" HN 150 0.574 0.065 0.572 19311 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 19311 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 13 13 THR C C 13 174.300 174.300 175.029 -0.729 19311 2 1 . 1 1 13 13 THR CA C 13 61.472 61.472 62.614 -1.142 19311 3 1 . 1 1 13 13 THR CB C 13 69.201 69.201 69.156 0.045 19311 4 1 . 1 1 14 14 ASP N N 14 123.228 123.228 123.042 0.186 19311 5 1 . 1 1 14 14 ASP C C 14 176.245 176.245 177.107 -0.862 19311 6 1 . 1 1 14 14 ASP CA C 14 53.996 53.996 55.275 -1.279 19311 7 1 . 1 1 14 14 ASP CB C 14 41.601 41.601 41.033 0.568 19311 8 1 . 1 1 14 14 ASP H H 14 8.321 8.321 7.942 0.379 19311 9 1 . 1 1 15 15 SER N N 15 115.463 115.463 115.642 -0.179 19311 10 1 . 1 1 15 15 SER C C 15 175.991 175.991 176.003 -0.012 19311 11 1 . 1 1 15 15 SER CA C 15 58.020 58.020 59.592 -1.572 19311 12 1 . 1 1 15 15 SER CB C 15 63.080 63.080 63.329 -0.249 19311 13 1 . 1 1 15 15 SER H H 15 8.403 8.403 8.059 0.344 19311 14 1 . 1 1 16 16 VAL N N 16 124.538 124.538 121.097 3.441 19311 15 1 . 1 1 16 16 VAL C C 16 176.097 176.097 176.738 -0.641 19311 16 1 . 1 1 16 16 VAL CA C 16 62.750 62.750 64.889 -2.139 19311 17 1 . 1 1 16 16 VAL CB C 16 30.859 30.859 31.751 -0.892 19311 18 1 . 1 1 16 16 VAL H H 16 8.139 8.139 7.663 0.476 19311 19 1 . 1 1 17 17 PHE N N 17 119.242 119.242 114.415 4.827 19311 20 1 . 1 1 17 17 PHE C C 17 176.086 176.086 175.040 1.046 19311 21 1 . 1 1 17 17 PHE CA C 17 58.934 58.934 57.093 1.841 19311 22 1 . 1 1 17 17 PHE CB C 17 38.133 38.133 38.553 -0.420 19311 23 1 . 1 1 17 17 PHE H H 17 7.575 7.575 7.141 0.434 19311 24 1 . 1 1 18 18 LEU N N 18 121.292 121.292 121.495 -0.203 19311 25 1 . 1 1 18 18 LEU C C 18 173.871 173.871 175.722 -1.851 19311 26 1 . 1 1 18 18 LEU CA C 18 54.048 54.048 53.706 0.342 19311 27 1 . 1 1 18 18 LEU CB C 18 41.529 41.529 41.329 0.200 19311 28 1 . 1 1 18 18 LEU H H 18 7.586 7.586 7.319 0.267 19311 29 1 . 1 1 19 19 GLN N N 19 128.124 128.124 122.542 5.582 19311 30 1 . 1 1 19 19 GLN CA C 19 53.131 53.131 52.918 0.213 19311 31 1 . 1 1 19 19 GLN CB C 19 30.299 30.299 28.576 1.723 19311 32 1 . 1 1 19 19 GLN H H 19 8.893 8.893 7.796 1.097 19311 33 1 . 1 1 20 20 PRO C C 20 176.974 176.974 176.052 0.922 19311 34 1 . 1 1 20 20 PRO CA C 20 62.459 62.459 63.609 -1.150 19311 35 1 . 1 1 20 20 PRO CB C 20 29.693 29.693 31.860 -2.167 19311 36 1 . 1 1 21 21 TRP N N 21 126.042 126.042 121.503 4.539 19311 37 1 . 1 1 21 21 TRP C C 21 176.624 176.624 176.264 0.360 19311 38 1 . 1 1 21 21 TRP CA C 21 58.241 58.241 57.219 1.022 19311 39 1 . 1 1 21 21 TRP CB C 21 31.457 31.457 30.490 0.967 19311 40 1 . 1 1 21 21 TRP H H 21 9.813 9.813 9.248 0.565 19311 41 1 . 1 1 22 22 ILE N N 22 128.281 128.281 123.097 5.184 19311 42 1 . 1 1 22 22 ILE C C 22 176.776 176.776 177.270 -0.494 19311 43 1 . 1 1 22 22 ILE CA C 22 66.628 66.628 65.318 1.310 19311 44 1 . 1 1 22 22 ILE CB C 22 37.455 37.455 37.340 0.115 19311 45 1 . 1 1 22 22 ILE H H 22 8.438 8.438 8.112 0.326 19311 46 1 . 1 1 23 23 LYS N N 23 121.661 121.661 120.901 0.760 19311 47 1 . 1 1 23 23 LYS C C 23 177.812 177.812 178.075 -0.263 19311 48 1 . 1 1 23 23 LYS CA C 23 60.467 60.467 59.796 0.671 19311 49 1 . 1 1 23 23 LYS CB C 23 31.055 31.055 31.834 -0.779 19311 50 1 . 1 1 23 23 LYS H H 23 9.062 9.062 7.769 1.294 19311 51 1 . 1 1 24 24 ALA N N 24 120.454 120.454 121.198 -0.744 19311 52 1 . 1 1 24 24 ALA C C 24 179.285 179.285 179.678 -0.393 19311 53 1 . 1 1 24 24 ALA CA C 24 54.076 54.076 54.637 -0.561 19311 54 1 . 1 1 24 24 ALA CB C 24 17.220 17.220 18.046 -0.826 19311 55 1 . 1 1 24 24 ALA H H 24 8.447 8.447 8.080 0.367 19311 56 1 . 1 1 25 25 LEU N N 25 120.482 120.482 119.705 0.777 19311 57 1 . 1 1 25 25 LEU C C 25 180.269 180.269 178.666 1.603 19311 58 1 . 1 1 25 25 LEU CA C 25 58.102 58.102 57.811 0.291 19311 59 1 . 1 1 25 25 LEU CB C 25 41.636 41.636 42.009 -0.373 19311 60 1 . 1 1 25 25 LEU H H 25 8.071 8.071 7.789 0.282 19311 61 1 . 1 1 26 26 ILE N N 26 119.868 119.868 116.814 3.054 19311 62 1 . 1 1 26 26 ILE C C 26 179.617 179.617 177.939 1.678 19311 63 1 . 1 1 26 26 ILE CA C 26 63.547 63.547 64.160 -0.613 19311 64 1 . 1 1 26 26 ILE CB C 26 35.786 35.786 37.828 -2.042 19311 65 1 . 1 1 26 26 ILE H H 26 8.158 8.158 7.735 0.422 19311 66 1 . 1 1 27 27 GLU N N 27 122.067 122.067 120.548 1.519 19311 67 1 . 1 1 27 27 GLU C C 27 179.103 179.103 178.994 0.109 19311 68 1 . 1 1 27 27 GLU CA C 27 59.138 59.138 59.447 -0.309 19311 69 1 . 1 1 27 27 GLU CB C 27 28.461 28.461 29.547 -1.086 19311 70 1 . 1 1 27 27 GLU H H 27 8.543 8.543 8.088 0.455 19311 71 1 . 1 1 28 28 ASP N N 28 119.228 119.228 117.325 1.903 19311 72 1 . 1 1 28 28 ASP C C 28 176.992 176.992 176.853 0.139 19311 73 1 . 1 1 28 28 ASP CA C 28 55.657 55.657 55.866 -0.209 19311 74 1 . 1 1 28 28 ASP CB C 28 40.403 40.403 41.056 -0.653 19311 75 1 . 1 1 28 28 ASP H H 28 8.396 8.396 8.228 0.168 19311 76 1 . 1 1 29 29 ASN N N 29 117.545 117.545 116.915 0.630 19311 77 1 . 1 1 29 29 ASN C C 29 174.277 174.277 175.114 -0.837 19311 78 1 . 1 1 29 29 ASN CA C 29 53.694 53.694 52.799 0.895 19311 79 1 . 1 1 29 29 ASN CB C 29 40.069 40.069 39.389 0.680 19311 80 1 . 1 1 29 29 ASN H H 29 7.536 7.536 7.813 -0.277 19311 81 1 . 1 1 30 30 SER N N 30 115.444 115.444 115.222 0.222 19311 82 1 . 1 1 30 30 SER C C 30 173.942 173.942 174.906 -0.964 19311 83 1 . 1 1 30 30 SER CA C 30 58.804 58.804 60.018 -1.214 19311 84 1 . 1 1 30 30 SER CB C 30 63.838 63.838 63.768 0.070 19311 85 1 . 1 1 30 30 SER H H 30 7.704 7.704 7.753 -0.049 19311 86 1 . 1 1 31 31 GLU N N 31 122.456 122.456 123.403 -0.947 19311 87 1 . 1 1 31 31 GLU C C 31 176.234 176.234 176.350 -0.116 19311 88 1 . 1 1 31 31 GLU CA C 31 55.633 55.633 55.591 0.042 19311 89 1 . 1 1 31 31 GLU CB C 31 29.619 29.619 28.596 1.023 19311 90 1 . 1 1 31 31 GLU H H 31 8.287 8.287 8.356 -0.069 19311 91 1 . 1 1 32 32 HIS N N 32 120.953 120.953 120.133 0.820 19311 92 1 . 1 1 32 32 HIS C C 32 174.779 174.779 175.088 -0.309 19311 93 1 . 1 1 32 32 HIS CA C 32 56.355 56.355 58.192 -1.837 19311 94 1 . 1 1 32 32 HIS CB C 32 29.467 29.467 29.721 -0.254 19311 95 1 . 1 1 32 32 HIS H H 32 8.207 8.207 8.054 0.153 19311 96 1 . 1 1 33 33 ASP N N 33 120.471 120.471 117.707 2.764 19311 97 1 . 1 1 33 33 ASP C C 33 175.225 175.225 176.435 -1.210 19311 98 1 . 1 1 33 33 ASP CA C 33 54.277 54.277 54.815 -0.538 19311 99 1 . 1 1 33 33 ASP CB C 33 40.007 40.007 40.417 -0.411 19311 100 1 . 1 1 33 33 ASP H H 33 8.256 8.256 8.373 -0.117 19311 101 1 . 1 1 34 34 GLN N N 34 118.522 118.522 117.052 1.470 19311 102 1 . 1 1 34 34 GLN C C 34 175.275 175.275 175.861 -0.586 19311 103 1 . 1 1 34 34 GLN CA C 34 55.388 55.388 55.342 0.046 19311 104 1 . 1 1 34 34 GLN CB C 34 28.586 28.586 30.102 -1.516 19311 105 1 . 1 1 34 34 GLN H H 34 7.854 7.854 7.674 0.180 19311 106 1 . 1 1 35 35 TYR N N 35 120.831 120.831 122.357 -1.526 19311 107 1 . 1 1 35 35 TYR C C 35 174.882 174.882 175.003 -0.121 19311 108 1 . 1 1 35 35 TYR CA C 35 56.752 56.752 58.774 -2.022 19311 109 1 . 1 1 35 35 TYR CB C 35 36.712 36.712 38.685 -1.974 19311 110 1 . 1 1 35 35 TYR H H 35 8.072 8.072 7.971 0.101 19311 111 1 . 1 1 36 36 HIS N N 36 121.429 121.429 127.208 -5.779 19311 112 1 . 1 1 36 36 HIS CA C 36 53.280 53.280 55.905 -2.625 19311 113 1 . 1 1 36 36 HIS CB C 36 29.223 29.223 30.408 -1.185 19311 114 1 . 1 1 36 36 HIS H H 36 7.788 7.788 8.090 -0.301 19311 115 1 . 1 1 37 37 PRO C C 37 177.021 177.021 176.618 0.403 19311 116 1 . 1 1 37 37 PRO CA C 37 62.947 62.947 64.659 -1.712 19311 117 1 . 1 1 37 37 PRO CB C 37 31.735 31.735 32.198 -0.463 19311 118 1 . 1 1 38 38 SER N N 38 117.550 117.550 112.250 5.300 19311 119 1 . 1 1 38 38 SER C C 38 174.281 174.281 174.235 0.046 19311 120 1 . 1 1 38 38 SER CA C 38 57.494 57.494 57.500 -0.006 19311 121 1 . 1 1 38 38 SER CB C 38 63.795 63.795 64.222 -0.427 19311 122 1 . 1 1 38 38 SER H H 38 8.808 8.808 8.456 0.352 19311 123 1 . 1 1 39 39 GLY N N 39 113.547 113.547 109.762 3.785 19311 124 1 . 1 1 39 39 GLY C C 39 173.690 173.690 173.336 0.354 19311 125 1 . 1 1 39 39 GLY CA C 39 44.463 44.463 44.689 -0.225 19311 126 1 . 1 1 39 39 GLY H H 39 8.564 8.564 7.758 0.806 19311 127 1 . 1 1 40 40 HIS N N 40 121.529 121.529 121.067 0.462 19311 128 1 . 1 1 40 40 HIS C C 40 175.794 175.794 175.659 0.135 19311 129 1 . 1 1 40 40 HIS CA C 40 55.796 55.796 56.825 -1.029 19311 130 1 . 1 1 40 40 HIS CB C 40 26.887 26.887 31.698 -4.811 19311 131 1 . 1 1 40 40 HIS H H 40 9.071 9.071 8.336 0.735 19311 132 1 . 1 1 41 41 VAL N N 41 115.423 115.423 119.333 -3.910 19311 133 1 . 1 1 41 41 VAL C C 41 176.247 176.247 175.449 0.798 19311 134 1 . 1 1 41 41 VAL CA C 41 62.424 62.424 62.971 -0.547 19311 135 1 . 1 1 41 41 VAL CB C 41 31.201 31.201 33.570 -2.369 19311 136 1 . 1 1 41 41 VAL H H 41 8.201 8.201 8.748 -0.547 19311 137 1 . 1 1 42 42 ILE N N 42 120.213 120.213 119.361 0.852 19311 138 1 . 1 1 42 42 ILE CA C 42 58.655 58.655 57.850 0.805 19311 139 1 . 1 1 42 42 ILE CB C 42 39.579 39.579 39.270 0.309 19311 140 1 . 1 1 42 42 ILE H H 42 7.305 7.305 7.776 -0.471 19311 141 1 . 1 1 43 43 PRO C C 43 177.076 177.076 176.662 0.414 19311 142 1 . 1 1 43 43 PRO CA C 43 62.446 62.446 63.136 -0.690 19311 143 1 . 1 1 43 43 PRO CB C 43 32.486 32.486 32.487 -0.001 19311 144 1 . 1 1 44 44 SER N N 44 116.530 116.530 115.849 0.681 19311 145 1 . 1 1 44 44 SER C C 44 173.398 173.398 173.955 -0.557 19311 146 1 . 1 1 44 44 SER CA C 44 57.636 57.636 58.265 -0.629 19311 147 1 . 1 1 44 44 SER CB C 44 63.032 63.032 63.672 -0.640 19311 148 1 . 1 1 44 44 SER H H 44 8.436 8.436 8.333 0.103 19311 149 1 . 1 1 45 45 LEU N N 45 127.441 127.441 125.713 1.728 19311 150 1 . 1 1 45 45 LEU C C 45 178.103 178.103 177.052 1.051 19311 151 1 . 1 1 45 45 LEU CA C 45 52.534 52.534 53.834 -1.300 19311 152 1 . 1 1 45 45 LEU CB C 45 42.737 42.737 44.138 -1.401 19311 153 1 . 1 1 45 45 LEU H H 45 9.947 9.947 8.395 1.552 19311 154 1 . 1 1 46 46 THR N N 46 114.571 114.571 113.452 1.119 19311 155 1 . 1 1 46 46 THR C C 46 175.217 175.217 175.409 -0.192 19311 156 1 . 1 1 46 46 THR CA C 46 60.441 60.441 60.213 0.228 19311 157 1 . 1 1 46 46 THR CB C 46 71.156 71.156 70.960 0.196 19311 158 1 . 1 1 46 46 THR H H 46 9.328 9.328 8.919 0.409 19311 159 1 . 1 1 47 47 LYS N N 47 120.404 120.404 120.965 -0.561 19311 160 1 . 1 1 47 47 LYS C C 47 179.434 179.434 178.733 0.701 19311 161 1 . 1 1 47 47 LYS CA C 47 59.340 59.340 60.365 -1.025 19311 162 1 . 1 1 47 47 LYS CB C 47 30.960 30.960 32.111 -1.151 19311 163 1 . 1 1 47 47 LYS H H 47 8.690 8.690 8.653 0.037 19311 164 1 . 1 1 48 48 GLN N N 48 119.487 119.487 117.527 1.960 19311 165 1 . 1 1 48 48 GLN C C 48 178.691 178.691 178.363 0.328 19311 166 1 . 1 1 48 48 GLN CA C 48 58.356 58.356 58.897 -0.541 19311 167 1 . 1 1 48 48 GLN CB C 48 27.365 27.365 28.435 -1.070 19311 168 1 . 1 1 48 48 GLN H H 48 8.082 8.082 8.262 -0.179 19311 169 1 . 1 1 49 49 ASP N N 49 122.541 122.541 120.622 1.919 19311 170 1 . 1 1 49 49 ASP C C 49 175.759 175.759 178.365 -2.606 19311 171 1 . 1 1 49 49 ASP CA C 49 57.516 57.516 56.938 0.578 19311 172 1 . 1 1 49 49 ASP CB C 49 41.147 41.147 40.693 0.454 19311 173 1 . 1 1 49 49 ASP H H 49 7.743 7.743 7.765 -0.022 19311 174 1 . 1 1 50 50 LEU N N 50 113.803 113.803 119.280 -5.477 19311 175 1 . 1 1 50 50 LEU C C 50 178.243 178.243 179.207 -0.964 19311 176 1 . 1 1 50 50 LEU CA C 50 56.063 56.063 57.340 -1.277 19311 177 1 . 1 1 50 50 LEU CB C 50 41.162 41.162 41.797 -0.635 19311 178 1 . 1 1 50 50 LEU H H 50 7.307 7.307 8.171 -0.864 19311 179 1 . 1 1 51 51 ALA N N 51 120.417 120.417 121.911 -1.494 19311 180 1 . 1 1 51 51 ALA C C 51 178.660 178.660 178.062 0.598 19311 181 1 . 1 1 51 51 ALA CA C 51 53.718 53.718 54.273 -0.555 19311 182 1 . 1 1 51 51 ALA CB C 51 18.193 18.193 19.533 -1.340 19311 183 1 . 1 1 51 51 ALA H H 51 7.677 7.677 7.850 -0.173 19311 184 1 . 1 1 52 52 LEU N N 52 116.642 116.642 118.005 -1.363 19311 185 1 . 1 1 52 52 LEU CA C 52 51.307 51.307 52.220 -0.913 19311 186 1 . 1 1 52 52 LEU CB C 52 42.099 42.099 42.377 -0.279 19311 187 1 . 1 1 52 52 LEU H H 52 6.992 6.992 7.782 -0.790 19311 188 1 . 1 1 53 53 PRO C C 53 177.594 177.594 177.940 -0.346 19311 189 1 . 1 1 53 53 PRO CA C 53 65.466 65.466 64.920 0.546 19311 190 1 . 1 1 53 53 PRO CB C 53 31.761 31.761 31.964 -0.203 19311 191 1 . 1 1 54 54 HIS N N 54 112.752 112.752 112.156 0.596 19311 192 1 . 1 1 54 54 HIS C C 54 175.187 175.187 174.651 0.536 19311 193 1 . 1 1 54 54 HIS CA C 54 57.695 57.695 57.238 0.457 19311 194 1 . 1 1 54 54 HIS CB C 54 28.716 28.716 28.385 0.331 19311 195 1 . 1 1 54 54 HIS H H 54 8.274 8.274 8.566 -0.292 19311 196 1 . 1 1 55 55 MET N N 55 116.326 116.326 117.911 -1.585 19311 197 1 . 1 1 55 55 MET C C 55 175.522 175.522 175.875 -0.353 19311 198 1 . 1 1 55 55 MET CA C 55 53.185 53.185 54.271 -1.086 19311 199 1 . 1 1 55 55 MET CB C 55 32.240 32.240 32.538 -0.298 19311 200 1 . 1 1 55 55 MET H H 55 7.254 7.254 7.246 0.008 19311 201 1 . 1 1 56 56 SER N N 56 116.685 116.685 116.937 -0.252 19311 202 1 . 1 1 56 56 SER CA C 56 54.269 54.269 54.723 -0.454 19311 203 1 . 1 1 56 56 SER CB C 56 63.227 63.227 64.408 -1.181 19311 204 1 . 1 1 56 56 SER H H 56 7.038 7.038 7.434 -0.396 19311 205 1 . 1 1 57 57 PRO C C 57 178.714 178.714 178.242 0.472 19311 206 1 . 1 1 57 57 PRO CA C 57 64.333 64.333 65.304 -0.971 19311 207 1 . 1 1 57 57 PRO CB C 57 31.044 31.044 31.910 -0.866 19311 208 1 . 1 1 58 58 THR N N 58 115.440 115.440 110.857 4.583 19311 209 1 . 1 1 58 58 THR C C 58 175.811 175.811 175.198 0.613 19311 210 1 . 1 1 58 58 THR CA C 58 65.411 65.411 65.581 -0.170 19311 211 1 . 1 1 58 58 THR CB C 58 68.208 68.208 68.426 -0.218 19311 212 1 . 1 1 58 58 THR H H 58 7.560 7.560 7.909 -0.349 19311 213 1 . 1 1 59 59 ILE N N 59 122.823 122.823 118.321 4.502 19311 214 1 . 1 1 59 59 ILE C C 59 176.672 176.672 177.721 -1.049 19311 215 1 . 1 1 59 59 ILE CA C 59 64.230 64.230 63.035 1.195 19311 216 1 . 1 1 59 59 ILE CB C 59 37.283 37.283 38.461 -1.178 19311 217 1 . 1 1 59 59 ILE H H 59 7.182 7.182 7.479 -0.297 19311 218 1 . 1 1 60 60 LEU N N 60 113.853 113.853 120.789 -6.936 19311 219 1 . 1 1 60 60 LEU C C 60 179.288 179.288 177.931 1.357 19311 220 1 . 1 1 60 60 LEU CA C 60 56.589 56.589 57.689 -1.101 19311 221 1 . 1 1 60 60 LEU CB C 60 40.734 40.734 42.076 -1.342 19311 222 1 . 1 1 60 60 LEU H H 60 7.894 7.894 8.211 -0.317 19311 223 1 . 1 1 61 61 THR N N 61 107.267 107.267 107.277 -0.010 19311 224 1 . 1 1 61 61 THR C C 61 173.987 173.987 174.533 -0.546 19311 225 1 . 1 1 61 61 THR CA C 61 61.516 61.516 61.770 -0.254 19311 226 1 . 1 1 61 61 THR CB C 61 69.919 69.919 69.022 0.897 19311 227 1 . 1 1 61 61 THR H H 61 7.427 7.427 7.845 -0.418 19311 228 1 . 1 1 62 62 ASN N N 62 121.377 121.377 120.815 0.562 19311 229 1 . 1 1 62 62 ASN CA C 62 49.977 49.977 50.750 -0.773 19311 230 1 . 1 1 62 62 ASN CB C 62 39.885 39.885 40.352 -0.467 19311 231 1 . 1 1 62 62 ASN H H 62 7.368 7.368 7.755 -0.387 19311 232 1 . 1 1 63 63 PRO C C 63 176.868 176.868 178.038 -1.170 19311 233 1 . 1 1 63 63 PRO CA C 63 64.130 64.130 65.040 -0.910 19311 234 1 . 1 1 63 63 PRO CB C 63 32.275 32.275 32.182 0.093 19311 235 1 . 1 1 64 64 CYS N N 64 113.208 113.208 114.261 -1.053 19311 236 1 . 1 1 64 64 CYS C C 64 170.205 170.205 175.141 -4.936 19311 237 1 . 1 1 64 64 CYS CA C 64 56.943 56.943 60.622 -3.679 19311 238 1 . 1 1 64 64 CYS CB C 64 26.242 26.242 26.797 -0.555 19311 239 1 . 1 1 64 64 CYS H H 64 7.072 7.072 8.163 -1.091 19311 240 1 . 1 1 65 65 HIS N N 65 108.987 108.987 115.649 -6.662 19311 241 1 . 1 1 65 65 HIS C C 65 174.303 174.303 174.050 0.253 19311 242 1 . 1 1 65 65 HIS CA C 65 56.141 56.141 57.336 -1.195 19311 243 1 . 1 1 65 65 HIS CB C 65 28.565 28.565 29.997 -1.432 19311 244 1 . 1 1 65 65 HIS H H 65 6.651 6.651 7.417 -0.766 19311 245 1 . 1 1 66 66 PHE N N 66 116.823 116.823 119.350 -2.527 19311 246 1 . 1 1 66 66 PHE C C 66 174.308 174.308 174.081 0.227 19311 247 1 . 1 1 66 66 PHE CA C 66 56.990 56.990 57.298 -0.308 19311 248 1 . 1 1 66 66 PHE CB C 66 41.535 41.535 41.427 0.108 19311 249 1 . 1 1 66 66 PHE H H 66 7.548 7.548 7.592 -0.044 19311 250 1 . 1 1 67 67 ALA N N 67 119.242 119.242 123.506 -4.264 19311 251 1 . 1 1 67 67 ALA C C 67 175.495 175.495 175.183 0.312 19311 252 1 . 1 1 67 67 ALA CA C 67 50.842 50.842 51.335 -0.493 19311 253 1 . 1 1 67 67 ALA CB C 67 24.144 24.144 22.946 1.198 19311 254 1 . 1 1 67 67 ALA H H 67 8.646 8.646 9.201 -0.555 19311 255 1 . 1 1 68 68 LYS N N 68 118.338 118.338 121.616 -3.278 19311 256 1 . 1 1 68 68 LYS C C 68 176.011 176.011 175.507 0.504 19311 257 1 . 1 1 68 68 LYS CA C 68 54.557 54.557 54.788 -0.232 19311 258 1 . 1 1 68 68 LYS CB C 68 34.575 34.575 35.053 -0.478 19311 259 1 . 1 1 68 68 LYS H H 68 8.373 8.373 8.528 -0.155 19311 260 1 . 1 1 69 69 ILE N N 69 126.321 126.321 126.058 0.263 19311 261 1 . 1 1 69 69 ILE C C 69 176.711 176.711 176.571 0.140 19311 262 1 . 1 1 69 69 ILE CA C 69 61.581 61.581 61.851 -0.270 19311 263 1 . 1 1 69 69 ILE CB C 69 37.161 37.161 38.067 -0.906 19311 264 1 . 1 1 69 69 ILE H H 69 9.660 9.660 8.809 0.851 19311 265 1 . 1 1 70 70 THR N N 70 118.154 118.154 118.618 -0.464 19311 266 1 . 1 1 70 70 THR C C 70 175.076 175.076 174.411 0.665 19311 267 1 . 1 1 70 70 THR CA C 70 60.883 60.883 61.819 -0.936 19311 268 1 . 1 1 70 70 THR CB C 70 68.643 68.643 70.991 -2.348 19311 269 1 . 1 1 70 70 THR H H 70 8.785 8.785 8.751 0.034 19311 270 1 . 1 1 71 71 LYS N N 71 122.877 122.877 119.886 2.991 19311 271 1 . 1 1 71 71 LYS C C 71 173.355 173.355 173.456 -0.101 19311 272 1 . 1 1 71 71 LYS CA C 71 56.459 56.459 56.427 0.032 19311 273 1 . 1 1 71 71 LYS CB C 71 34.142 34.142 34.433 -0.291 19311 274 1 . 1 1 71 71 LYS H H 71 7.088 7.088 7.251 -0.163 19311 275 1 . 1 1 72 72 PHE N N 72 122.143 122.143 121.615 0.528 19311 276 1 . 1 1 72 72 PHE C C 72 175.071 175.071 175.285 -0.214 19311 277 1 . 1 1 72 72 PHE CA C 72 57.980 57.980 57.132 0.848 19311 278 1 . 1 1 72 72 PHE CB C 72 39.359 39.359 40.634 -1.275 19311 279 1 . 1 1 72 72 PHE H H 72 8.530 8.530 8.374 0.156 19311 280 1 . 1 1 73 73 TYR N N 73 123.208 123.208 121.185 2.023 19311 281 1 . 1 1 73 73 TYR C C 73 176.295 176.295 175.300 0.995 19311 282 1 . 1 1 73 73 TYR CA C 73 60.464 60.464 59.550 0.914 19311 283 1 . 1 1 73 73 TYR CB C 73 39.634 39.634 39.997 -0.363 19311 284 1 . 1 1 73 73 TYR H H 73 9.437 9.437 9.122 0.315 19311 285 1 . 1 1 74 74 ASN N N 74 113.786 113.786 116.115 -2.329 19311 286 1 . 1 1 74 74 ASN C C 74 172.652 172.652 173.036 -0.384 19311 287 1 . 1 1 74 74 ASN CA C 74 52.675 52.675 53.071 -0.396 19311 288 1 . 1 1 74 74 ASN CB C 74 39.801 39.801 40.748 -0.947 19311 289 1 . 1 1 74 74 ASN H H 74 7.993 7.993 8.097 -0.104 19311 290 1 . 1 1 75 75 VAL N N 75 124.913 124.913 122.085 2.828 19311 291 1 . 1 1 75 75 VAL C C 75 175.179 175.179 175.153 0.026 19311 292 1 . 1 1 75 75 VAL CA C 75 61.422 61.422 61.602 -0.180 19311 293 1 . 1 1 75 75 VAL CB C 75 33.185 33.185 33.565 -0.380 19311 294 1 . 1 1 75 75 VAL H H 75 7.721 7.721 8.487 -0.766 19311 295 1 . 1 1 76 76 CYS N N 76 125.698 125.698 126.169 -0.471 19311 296 1 . 1 1 76 76 CYS CA C 76 57.694 57.694 57.510 0.184 19311 297 1 . 1 1 76 76 CYS CB C 76 27.993 27.993 31.136 -3.143 19311 298 1 . 1 1 76 76 CYS H H 76 8.677 8.677 8.873 -0.196 19311 299 1 . 1 1 78 78 TYR N N 78 109.730 109.730 113.419 -3.689 19311 300 1 . 1 1 78 78 TYR C C 78 173.592 173.592 174.260 -0.668 19311 301 1 . 1 1 78 78 TYR CA C 78 60.078 60.078 59.199 0.879 19311 302 1 . 1 1 78 78 TYR CB C 78 35.627 35.627 35.821 -0.194 19311 303 1 . 1 1 78 78 TYR H H 78 8.215 8.215 8.139 0.076 19311 304 1 . 1 1 79 79 LYS N N 79 119.181 119.181 118.812 0.369 19311 305 1 . 1 1 79 79 LYS C C 79 175.198 175.198 175.101 0.097 19311 306 1 . 1 1 79 79 LYS CA C 79 55.243 55.243 55.014 0.229 19311 307 1 . 1 1 79 79 LYS CB C 79 33.522 33.522 35.712 -2.190 19311 308 1 . 1 1 79 79 LYS H H 79 7.695 7.695 7.736 -0.041 19311 309 1 . 1 1 80 80 VAL N N 80 118.700 118.700 122.649 -3.949 19311 310 1 . 1 1 80 80 VAL C C 80 172.953 172.953 174.551 -1.598 19311 311 1 . 1 1 80 80 VAL CA C 80 61.093 61.093 61.113 -0.020 19311 312 1 . 1 1 80 80 VAL CB C 80 34.048 34.048 34.140 -0.092 19311 313 1 . 1 1 80 80 VAL H H 80 7.478 7.478 8.064 -0.586 19311 314 1 . 1 1 81 81 TYR N N 81 128.065 128.065 126.815 1.250 19311 315 1 . 1 1 81 81 TYR C C 81 175.948 175.948 174.541 1.407 19311 316 1 . 1 1 81 81 TYR CA C 81 57.836 57.836 56.402 1.434 19311 317 1 . 1 1 81 81 TYR CB C 81 37.594 37.594 39.963 -2.369 19311 318 1 . 1 1 81 81 TYR H H 81 8.851 8.851 9.032 -0.181 19311 319 1 . 1 1 82 82 ALA N N 82 130.227 130.227 126.452 3.775 19311 320 1 . 1 1 82 82 ALA C C 82 174.291 174.291 175.208 -0.917 19311 321 1 . 1 1 82 82 ALA CA C 82 51.702 51.702 50.959 0.743 19311 322 1 . 1 1 82 82 ALA CB C 82 24.004 24.004 22.789 1.215 19311 323 1 . 1 1 82 82 ALA H H 82 9.673 9.673 9.374 0.299 19311 324 1 . 1 1 83 83 SER N N 83 112.455 112.455 113.383 -0.928 19311 325 1 . 1 1 83 83 SER C C 83 175.055 175.055 173.559 1.497 19311 326 1 . 1 1 83 83 SER CA C 83 56.656 56.656 56.679 -0.023 19311 327 1 . 1 1 83 83 SER CB C 83 65.405 65.405 65.628 -0.223 19311 328 1 . 1 1 83 83 SER H H 83 8.975 8.975 8.599 0.376 19311 329 1 . 1 1 84 84 ILE N N 84 115.288 115.288 118.256 -2.968 19311 330 1 . 1 1 84 84 ILE C C 84 173.569 173.569 173.836 -0.267 19311 331 1 . 1 1 84 84 ILE CA C 84 57.822 57.822 58.763 -0.940 19311 332 1 . 1 1 84 84 ILE CB C 84 41.310 41.310 42.647 -1.337 19311 333 1 . 1 1 84 84 ILE H H 84 8.657 8.657 9.086 -0.428 19311 334 1 . 1 1 85 85 ARG N N 85 116.138 116.138 119.210 -3.072 19311 335 1 . 1 1 85 85 ARG C C 85 174.594 174.594 174.582 0.012 19311 336 1 . 1 1 85 85 ARG CA C 85 52.721 52.721 54.862 -2.141 19311 337 1 . 1 1 85 85 ARG CB C 85 33.188 33.188 34.115 -0.927 19311 338 1 . 1 1 85 85 ARG H H 85 9.306 9.306 8.678 0.628 19311 339 1 . 1 1 86 86 ASP N N 86 121.622 121.622 121.780 -0.158 19311 340 1 . 1 1 86 86 ASP C C 86 175.804 175.804 176.356 -0.552 19311 341 1 . 1 1 86 86 ASP CA C 86 51.666 51.666 52.714 -1.048 19311 342 1 . 1 1 86 86 ASP CB C 86 38.969 38.969 41.648 -2.679 19311 343 1 . 1 1 86 86 ASP H H 86 7.506 7.506 8.291 -0.785 19311 344 1 . 1 1 87 87 SER N N 87 109.487 109.487 114.744 -5.257 19311 345 1 . 1 1 87 87 SER C C 87 174.343 174.343 174.829 -0.486 19311 346 1 . 1 1 87 87 SER CA C 87 59.775 59.775 60.322 -0.547 19311 347 1 . 1 1 87 87 SER CB C 87 62.824 62.824 63.549 -0.725 19311 348 1 . 1 1 87 87 SER H H 87 6.452 6.452 8.552 -2.099 19311 349 1 . 1 1 88 88 SER N N 88 117.714 117.714 115.787 1.927 19311 350 1 . 1 1 88 88 SER C C 88 172.322 172.322 173.785 -1.463 19311 351 1 . 1 1 88 88 SER CA C 88 60.625 60.625 58.656 1.969 19311 352 1 . 1 1 88 88 SER CB C 88 66.392 66.392 64.177 2.215 19311 353 1 . 1 1 88 88 SER H H 88 8.852 8.852 8.325 0.528 19311 354 1 . 1 1 89 89 HIS N N 89 121.987 121.987 119.682 2.305 19311 355 1 . 1 1 89 89 HIS C C 89 173.253 173.253 174.071 -0.818 19311 356 1 . 1 1 89 89 HIS CA C 89 55.530 55.530 55.183 0.346 19311 357 1 . 1 1 89 89 HIS CB C 89 36.622 36.622 32.306 4.316 19311 358 1 . 1 1 89 89 HIS H H 89 9.568 9.568 8.424 1.144 19311 359 1 . 1 1 90 90 GLN N N 90 112.816 112.816 118.636 -5.820 19311 360 1 . 1 1 90 90 GLN C C 90 175.640 175.640 174.083 1.557 19311 361 1 . 1 1 90 90 GLN CA C 90 53.060 53.060 54.563 -1.503 19311 362 1 . 1 1 90 90 GLN CB C 90 32.977 32.977 31.885 1.092 19311 363 1 . 1 1 90 90 GLN H H 90 7.942 7.942 8.589 -0.647 19311 364 1 . 1 1 91 91 ILE N N 91 119.354 119.354 120.698 -1.344 19311 365 1 . 1 1 91 91 ILE C C 91 172.309 172.309 173.376 -1.067 19311 366 1 . 1 1 91 91 ILE CA C 91 61.019 61.019 59.941 1.078 19311 367 1 . 1 1 91 91 ILE CB C 91 41.077 41.077 42.351 -1.273 19311 368 1 . 1 1 91 91 ILE H H 91 8.937 8.937 8.861 0.076 19311 369 1 . 1 1 92 92 LEU N N 92 125.414 125.414 126.719 -1.305 19311 370 1 . 1 1 92 92 LEU C C 92 175.848 175.848 175.556 0.292 19311 371 1 . 1 1 92 92 LEU CA C 92 55.084 55.084 55.272 -0.188 19311 372 1 . 1 1 92 92 LEU CB C 92 40.637 40.637 42.277 -1.641 19311 373 1 . 1 1 92 92 LEU H H 92 7.192 7.192 8.625 -1.433 19311 374 1 . 1 1 93 93 VAL N N 93 116.666 116.666 120.582 -3.916 19311 375 1 . 1 1 93 93 VAL C C 93 173.013 173.013 173.569 -0.556 19311 376 1 . 1 1 93 93 VAL CA C 93 58.637 58.637 59.612 -0.975 19311 377 1 . 1 1 93 93 VAL CB C 93 35.844 35.844 35.435 0.409 19311 378 1 . 1 1 93 93 VAL H H 93 9.225 9.225 9.115 0.110 19311 379 1 . 1 1 94 94 GLU N N 94 124.248 124.248 126.450 -2.202 19311 380 1 . 1 1 94 94 GLU CA C 94 53.418 53.418 53.537 -0.118 19311 381 1 . 1 1 94 94 GLU CB C 94 32.133 32.133 33.305 -1.172 19311 382 1 . 1 1 94 94 GLU H H 94 8.549 8.549 8.904 -0.355 19311 383 1 . 1 1 95 95 PHE C C 95 175.472 175.472 176.149 -0.677 19311 384 1 . 1 1 95 95 PHE CA C 95 56.710 56.710 56.612 0.098 19311 385 1 . 1 1 95 95 PHE CB C 95 38.774 38.774 40.475 -1.701 19311 386 1 . 1 1 96 96 SER N N 96 119.651 119.651 119.664 -0.013 19311 387 1 . 1 1 96 96 SER C C 96 173.024 173.024 175.669 -2.645 19311 388 1 . 1 1 96 96 SER CA C 96 57.233 57.233 57.669 -0.436 19311 389 1 . 1 1 96 96 SER CB C 96 65.249 65.249 65.244 0.005 19311 390 1 . 1 1 96 96 SER H H 96 8.203 8.203 8.714 -0.511 19311 391 1 . 1 1 97 97 GLN N N 97 120.894 120.894 122.581 -1.687 19311 392 1 . 1 1 97 97 GLN C C 97 179.424 179.424 178.056 1.368 19311 393 1 . 1 1 97 97 GLN CA C 97 58.799 58.799 59.889 -1.090 19311 394 1 . 1 1 97 97 GLN CB C 97 26.863 26.863 28.426 -1.563 19311 395 1 . 1 1 97 97 GLN H H 97 8.949 8.949 8.973 -0.024 19311 396 1 . 1 1 98 98 GLU N N 98 121.467 121.467 119.524 1.943 19311 397 1 . 1 1 98 98 GLU C C 98 177.401 177.401 178.246 -0.846 19311 398 1 . 1 1 98 98 GLU CA C 98 59.056 59.056 59.441 -0.384 19311 399 1 . 1 1 98 98 GLU CB C 98 28.654 28.654 29.259 -0.605 19311 400 1 . 1 1 98 98 GLU H H 98 8.759 8.759 8.450 0.309 19311 401 1 . 1 1 99 99 CYS N N 99 122.363 122.363 119.548 2.815 19311 402 1 . 1 1 99 99 CYS C C 99 178.667 178.667 177.311 1.355 19311 403 1 . 1 1 99 99 CYS CA C 99 61.683 61.683 63.220 -1.537 19311 404 1 . 1 1 99 99 CYS CB C 99 27.002 27.002 26.871 0.131 19311 405 1 . 1 1 99 99 CYS H H 99 8.194 8.194 7.902 0.292 19311 406 1 . 1 1 100 100 VAL N N 100 120.067 120.067 119.756 0.311 19311 407 1 . 1 1 100 100 VAL C C 100 178.191 178.191 177.957 0.234 19311 408 1 . 1 1 100 100 VAL CA C 100 66.503 66.503 66.880 -0.377 19311 409 1 . 1 1 100 100 VAL CB C 100 31.299 31.299 31.634 -0.335 19311 410 1 . 1 1 100 100 VAL H H 100 8.584 8.584 8.291 0.293 19311 411 1 . 1 1 101 101 SER N N 101 117.155 117.155 116.317 0.838 19311 412 1 . 1 1 101 101 SER C C 101 177.930 177.930 176.792 1.138 19311 413 1 . 1 1 101 101 SER CA C 101 61.182 61.182 61.705 -0.523 19311 414 1 . 1 1 101 101 SER CB C 101 62.112 62.112 62.979 -0.867 19311 415 1 . 1 1 101 101 SER H H 101 8.685 8.685 8.464 0.221 19311 416 1 . 1 1 102 102 ASN N N 102 120.931 120.931 120.442 0.489 19311 417 1 . 1 1 102 102 ASN C C 102 178.047 178.047 177.494 0.553 19311 418 1 . 1 1 102 102 ASN CA C 102 56.108 56.108 55.846 0.262 19311 419 1 . 1 1 102 102 ASN CB C 102 37.456 37.456 38.067 -0.611 19311 420 1 . 1 1 102 102 ASN H H 102 8.638 8.638 8.155 0.483 19311 421 1 . 1 1 103 103 PHE N N 103 124.907 124.907 122.003 2.904 19311 422 1 . 1 1 103 103 PHE C C 103 177.886 177.886 177.685 0.201 19311 423 1 . 1 1 103 103 PHE CA C 103 61.734 61.734 61.795 -0.061 19311 424 1 . 1 1 103 103 PHE CB C 103 38.976 38.976 39.152 -0.176 19311 425 1 . 1 1 103 103 PHE H H 103 8.495 8.495 8.727 -0.232 19311 426 1 . 1 1 104 104 GLU N N 104 120.930 120.930 119.805 1.125 19311 427 1 . 1 1 104 104 GLU C C 104 180.036 180.036 179.230 0.806 19311 428 1 . 1 1 104 104 GLU CA C 104 59.070 59.070 59.173 -0.103 19311 429 1 . 1 1 104 104 GLU CB C 104 28.323 28.323 29.693 -1.370 19311 430 1 . 1 1 104 104 GLU H H 104 8.614 8.614 8.441 0.173 19311 431 1 . 1 1 105 105 ARG N N 105 119.201 119.201 118.167 1.034 19311 432 1 . 1 1 105 105 ARG C C 105 178.097 178.097 178.467 -0.369 19311 433 1 . 1 1 105 105 ARG CA C 105 58.179 58.179 58.941 -0.762 19311 434 1 . 1 1 105 105 ARG CB C 105 29.305 29.305 30.290 -0.985 19311 435 1 . 1 1 105 105 ARG H H 105 7.976 7.976 7.996 -0.020 19311 436 1 . 1 1 106 106 THR N N 106 114.725 114.725 112.414 2.311 19311 437 1 . 1 1 106 106 THR C C 106 175.323 175.323 175.795 -0.472 19311 438 1 . 1 1 106 106 THR CA C 106 65.164 65.164 65.295 -0.131 19311 439 1 . 1 1 106 106 THR CB C 106 68.964 68.964 68.946 0.018 19311 440 1 . 1 1 106 106 THR H H 106 7.744 7.744 7.843 -0.098 19311 441 1 . 1 1 107 107 HIS N N 107 116.911 116.911 116.278 0.633 19311 442 1 . 1 1 107 107 HIS C C 107 174.769 174.769 174.433 0.336 19311 443 1 . 1 1 107 107 HIS CA C 107 56.636 56.636 56.522 0.114 19311 444 1 . 1 1 107 107 HIS CB C 107 29.833 29.833 30.589 -0.756 19311 445 1 . 1 1 107 107 HIS H H 107 8.033 8.033 7.693 0.340 19311 446 1 . 1 1 108 108 ASN N N 108 118.204 118.204 116.431 1.773 19311 447 1 . 1 1 108 108 ASN C C 108 173.328 173.328 174.287 -0.959 19311 448 1 . 1 1 108 108 ASN CA C 108 53.859 53.859 54.624 -0.765 19311 449 1 . 1 1 108 108 ASN CB C 108 36.623 36.623 36.230 0.393 19311 450 1 . 1 1 108 108 ASN H H 108 8.135 8.135 8.285 -0.150 19311 451 1 . 1 1 109 109 CYS N N 109 111.643 111.643 112.664 -1.021 19311 452 1 . 1 1 109 109 CYS C C 109 171.934 171.934 173.331 -1.397 19311 453 1 . 1 1 109 109 CYS CA C 109 55.233 55.233 56.211 -0.978 19311 454 1 . 1 1 109 109 CYS CB C 109 29.518 29.518 30.695 -1.177 19311 455 1 . 1 1 109 109 CYS H H 109 7.493 7.493 7.513 -0.020 19311 456 1 . 1 1 110 110 ARG N N 110 117.680 117.680 120.273 -2.593 19311 457 1 . 1 1 110 110 ARG C C 110 179.018 179.018 177.848 1.170 19311 458 1 . 1 1 110 110 ARG CA C 110 54.914 54.914 55.558 -0.644 19311 459 1 . 1 1 110 110 ARG CB C 110 30.252 30.252 31.085 -0.833 19311 460 1 . 1 1 110 110 ARG H H 110 8.271 8.271 8.408 -0.137 19311 461 1 . 1 1 111 111 ILE N N 111 124.684 124.684 121.070 3.614 19311 462 1 . 1 1 111 111 ILE CA C 111 63.115 63.115 63.252 -0.137 19311 463 1 . 1 1 111 111 ILE CB C 111 37.530 37.530 37.403 0.127 19311 464 1 . 1 1 111 111 ILE H H 111 9.551 9.551 8.634 0.917 19311 465 1 . 1 1 112 112 THR N N 112 106.975 106.975 107.875 -0.900 19311 466 1 . 1 1 112 112 THR C C 112 175.160 175.160 174.415 0.745 19311 467 1 . 1 1 112 112 THR CA C 112 60.029 60.029 61.876 -1.847 19311 468 1 . 1 1 112 112 THR CB C 112 67.949 67.949 68.224 -0.275 19311 469 1 . 1 1 112 112 THR H H 112 6.484 6.484 7.626 -1.142 19311 470 1 . 1 1 113 113 SER N N 113 118.281 118.281 117.393 0.888 19311 471 1 . 1 1 113 113 SER C C 113 173.813 173.813 174.197 -0.384 19311 472 1 . 1 1 113 113 SER CA C 113 58.470 58.470 58.230 0.240 19311 473 1 . 1 1 113 113 SER CB C 113 62.730 62.730 63.340 -0.610 19311 474 1 . 1 1 113 113 SER H H 113 7.446 7.446 7.459 -0.013 19311 475 1 . 1 1 114 114 GLU N N 114 121.273 121.273 121.757 -0.484 19311 476 1 . 1 1 114 114 GLU CA C 114 56.911 56.911 57.441 -0.530 19311 477 1 . 1 1 114 114 GLU CB C 114 27.463 27.463 27.863 -0.400 19311 478 1 . 1 1 114 114 GLU H H 114 8.350 8.350 8.833 -0.483 19311 479 1 . 1 1 115 115 THR N N 115 109.184 109.184 107.438 1.746 19311 480 1 . 1 1 115 115 THR C C 115 177.031 177.031 175.969 1.062 19311 481 1 . 1 1 115 115 THR CA C 115 61.908 61.908 62.846 -0.938 19311 482 1 . 1 1 115 115 THR CB C 115 69.072 69.072 69.753 -0.681 19311 483 1 . 1 1 115 115 THR H H 115 7.689 7.689 8.072 -0.383 19311 484 1 . 1 1 116 116 THR N N 116 115.339 115.339 116.674 -1.335 19311 485 1 . 1 1 116 116 THR C C 116 175.023 175.023 174.629 0.394 19311 486 1 . 1 1 116 116 THR CA C 116 63.834 63.834 65.654 -1.820 19311 487 1 . 1 1 116 116 THR CB C 116 68.130 68.130 68.834 -0.704 19311 488 1 . 1 1 116 116 THR H H 116 7.979 7.979 8.427 -0.448 19311 489 1 . 1 1 117 117 ASN N N 117 118.558 118.558 116.392 2.166 19311 490 1 . 1 1 117 117 ASN C C 117 174.413 174.413 174.044 0.369 19311 491 1 . 1 1 117 117 ASN CA C 117 53.549 53.549 51.907 1.642 19311 492 1 . 1 1 117 117 ASN CB C 117 37.548 37.548 37.860 -0.312 19311 493 1 . 1 1 117 117 ASN H H 117 8.295 8.295 8.310 -0.015 19311 494 1 . 1 1 118 118 CYS N N 118 116.611 116.611 117.924 -1.313 19311 495 1 . 1 1 118 118 CYS C C 118 174.430 174.430 173.375 1.055 19311 496 1 . 1 1 118 118 CYS CA C 118 58.206 58.206 58.043 0.163 19311 497 1 . 1 1 118 118 CYS CB C 118 28.866 28.866 31.778 -2.912 19311 498 1 . 1 1 118 118 CYS H H 118 7.548 7.548 7.750 -0.202 19311 499 1 . 1 1 119 119 LEU N N 119 125.613 125.613 122.157 3.456 19311 500 1 . 1 1 119 119 LEU C C 119 174.612 174.612 175.280 -0.668 19311 501 1 . 1 1 119 119 LEU CA C 119 54.869 54.869 54.265 0.604 19311 502 1 . 1 1 119 119 LEU CB C 119 42.394 42.394 44.710 -2.316 19311 503 1 . 1 1 119 119 LEU H H 119 8.840 8.840 8.870 -0.029 19311 504 1 . 1 1 120 120 MET N N 120 128.079 128.079 124.580 3.499 19311 505 1 . 1 1 120 120 MET C C 120 174.384 174.384 174.492 -0.108 19311 506 1 . 1 1 120 120 MET CA C 120 53.292 53.292 54.153 -0.861 19311 507 1 . 1 1 120 120 MET H H 120 9.274 9.274 8.845 0.429 19311 508 1 . 1 1 121 121 ILE N N 121 120.093 120.093 124.417 -4.324 19311 509 1 . 1 1 121 121 ILE C C 121 176.479 176.479 175.284 1.195 19311 510 1 . 1 1 121 121 ILE CA C 121 55.536 55.536 58.980 -3.444 19311 511 1 . 1 1 121 121 ILE CB C 121 36.335 36.335 39.167 -2.832 19311 512 1 . 1 1 121 121 ILE H H 121 8.527 8.527 9.069 -0.542 19311 513 1 . 1 1 122 122 ILE N N 122 119.127 119.127 123.444 -4.317 19311 514 1 . 1 1 122 122 ILE C C 122 174.904 174.904 174.995 -0.091 19311 515 1 . 1 1 122 122 ILE CA C 122 57.790 57.790 59.037 -1.247 19311 516 1 . 1 1 122 122 ILE CB C 122 41.605 41.605 41.317 0.287 19311 517 1 . 1 1 122 122 ILE H H 122 8.913 8.913 8.794 0.119 19311 518 1 . 1 1 123 123 GLY N N 123 106.647 106.647 109.744 -3.097 19311 519 1 . 1 1 123 123 GLY C C 123 170.571 170.571 172.457 -1.886 19311 520 1 . 1 1 123 123 GLY CA C 123 43.698 43.698 44.685 -0.987 19311 521 1 . 1 1 123 123 GLY H H 123 8.373 8.373 8.774 -0.401 19311 522 1 . 1 1 124 124 ASP N N 124 119.021 119.021 120.013 -0.992 19311 523 1 . 1 1 124 124 ASP C C 124 174.481 174.481 174.227 0.254 19311 524 1 . 1 1 124 124 ASP CA C 124 53.993 53.993 55.142 -1.149 19311 525 1 . 1 1 124 124 ASP CB C 124 39.163 39.163 40.020 -0.857 19311 526 1 . 1 1 124 124 ASP H H 124 7.712 7.712 8.339 -0.627 19311 527 1 . 1 1 125 125 ALA N N 125 122.997 122.997 122.226 0.771 19311 528 1 . 1 1 125 125 ALA C C 125 175.798 175.798 175.456 0.342 19311 529 1 . 1 1 125 125 ALA CA C 125 49.258 49.258 50.431 -1.173 19311 530 1 . 1 1 125 125 ALA CB C 125 23.466 23.466 23.068 0.398 19311 531 1 . 1 1 125 125 ALA H H 125 8.502 8.502 7.833 0.669 19311 532 1 . 1 1 126 126 ASP N N 126 121.643 121.643 120.901 0.742 19311 533 1 . 1 1 126 126 ASP C C 126 174.129 174.129 174.457 -0.328 19311 534 1 . 1 1 126 126 ASP CA C 126 51.984 51.984 52.601 -0.617 19311 535 1 . 1 1 126 126 ASP CB C 126 43.380 43.380 44.537 -1.157 19311 536 1 . 1 1 126 126 ASP H H 126 8.656 8.656 8.865 -0.209 19311 537 1 . 1 1 127 127 LEU N N 127 124.869 124.869 122.588 2.281 19311 538 1 . 1 1 127 127 LEU C C 127 175.007 175.007 175.599 -0.592 19311 539 1 . 1 1 127 127 LEU CA C 127 53.944 53.944 54.330 -0.386 19311 540 1 . 1 1 127 127 LEU CB C 127 43.759 43.759 43.346 0.413 19311 541 1 . 1 1 127 127 LEU H H 127 8.886 8.886 8.326 0.560 19311 542 1 . 1 1 128 128 VAL N N 128 122.817 122.817 120.233 2.584 19311 543 1 . 1 1 128 128 VAL C C 128 173.242 173.242 173.906 -0.664 19311 544 1 . 1 1 128 128 VAL CA C 128 58.875 58.875 59.704 -0.829 19311 545 1 . 1 1 128 128 VAL CB C 128 34.062 34.062 35.505 -1.443 19311 546 1 . 1 1 128 128 VAL H H 128 8.737 8.737 8.810 -0.073 19311 547 1 . 1 1 129 129 TYR N N 129 120.375 120.375 121.666 -1.291 19311 548 1 . 1 1 129 129 TYR C C 129 176.280 176.280 175.423 0.857 19311 549 1 . 1 1 129 129 TYR CA C 129 57.265 57.265 57.128 0.137 19311 550 1 . 1 1 129 129 TYR CB C 129 38.931 38.931 39.859 -0.928 19311 551 1 . 1 1 129 129 TYR H H 129 8.585 8.585 8.422 0.163 19311 552 1 . 1 1 130 130 VAL N N 130 121.466 121.466 120.358 1.108 19311 553 1 . 1 1 130 130 VAL C C 130 174.139 174.139 174.798 -0.659 19311 554 1 . 1 1 130 130 VAL CA C 130 59.324 59.324 59.458 -0.134 19311 555 1 . 1 1 130 130 VAL CB C 130 34.193 34.193 35.336 -1.143 19311 556 1 . 1 1 130 130 VAL H H 130 8.851 8.851 8.871 -0.020 19311 557 1 . 1 1 131 131 THR N N 131 113.648 113.648 114.295 -0.647 19311 558 1 . 1 1 131 131 THR C C 131 175.861 175.861 175.664 0.197 19311 559 1 . 1 1 131 131 THR CA C 131 59.748 59.748 60.121 -0.373 19311 560 1 . 1 1 131 131 THR CB C 131 70.864 70.864 70.863 0.001 19311 561 1 . 1 1 131 131 THR H H 131 7.768 7.768 8.195 -0.427 19311 562 1 . 1 1 132 132 ASN N N 132 119.407 119.407 120.519 -1.112 19311 563 1 . 1 1 132 132 ASN CA C 132 56.643 56.643 56.958 -0.315 19311 564 1 . 1 1 132 132 ASN CB C 132 38.269 38.269 38.303 -0.034 19311 565 1 . 1 1 132 132 ASN H H 132 8.518 8.518 8.686 -0.168 19311 566 1 . 1 1 133 133 SER C C 133 176.763 176.763 176.494 0.269 19311 567 1 . 1 1 133 133 SER CA C 133 61.287 61.287 61.402 -0.115 19311 568 1 . 1 1 134 134 ARG N N 134 124.193 124.193 122.021 2.171 19311 569 1 . 1 1 134 134 ARG C C 134 178.393 178.393 178.553 -0.160 19311 570 1 . 1 1 134 134 ARG CA C 134 57.034 57.034 58.911 -1.877 19311 571 1 . 1 1 134 134 ARG CB C 134 29.051 29.051 30.154 -1.103 19311 572 1 . 1 1 134 134 ARG H H 134 7.333 7.333 7.729 -0.396 19311 573 1 . 1 1 135 135 ALA N N 135 124.165 124.165 122.476 1.689 19311 574 1 . 1 1 135 135 ALA C C 135 180.063 180.063 179.661 0.402 19311 575 1 . 1 1 135 135 ALA CA C 135 55.239 55.239 55.099 0.140 19311 576 1 . 1 1 135 135 ALA CB C 135 16.063 16.063 18.322 -2.259 19311 577 1 . 1 1 135 135 ALA H H 135 8.656 8.656 8.384 0.272 19311 578 1 . 1 1 136 136 MET N N 136 117.770 117.770 117.306 0.464 19311 579 1 . 1 1 136 136 MET C C 136 178.837 178.837 178.217 0.620 19311 580 1 . 1 1 136 136 MET CA C 136 58.214 58.214 58.766 -0.552 19311 581 1 . 1 1 136 136 MET CB C 136 31.493 31.493 32.692 -1.199 19311 582 1 . 1 1 136 136 MET H H 136 8.211 8.211 8.301 -0.090 19311 583 1 . 1 1 137 137 SER N N 137 114.607 114.607 114.232 0.375 19311 584 1 . 1 1 137 137 SER C C 137 176.196 176.196 176.317 -0.121 19311 585 1 . 1 1 137 137 SER CA C 137 60.589 60.589 60.605 -0.016 19311 586 1 . 1 1 137 137 SER CB C 137 62.236 62.236 63.207 -0.971 19311 587 1 . 1 1 137 137 SER H H 137 8.021 8.021 8.069 -0.048 19311 588 1 . 1 1 138 138 HIS N N 138 120.793 120.793 119.237 1.556 19311 589 1 . 1 1 138 138 HIS C C 138 174.530 174.530 175.751 -1.221 19311 590 1 . 1 1 138 138 HIS CA C 138 58.296 58.296 57.741 0.555 19311 591 1 . 1 1 138 138 HIS CB C 138 29.593 29.593 30.697 -1.104 19311 592 1 . 1 1 138 138 HIS H H 138 8.462 8.462 8.044 0.418 19311 593 1 . 1 1 139 139 PHE N N 139 114.046 114.046 115.487 -1.441 19311 594 1 . 1 1 139 139 PHE C C 139 173.540 173.540 175.461 -1.921 19311 595 1 . 1 1 139 139 PHE CA C 139 58.722 58.722 58.518 0.204 19311 596 1 . 1 1 139 139 PHE CB C 139 38.583 38.583 39.556 -0.973 19311 597 1 . 1 1 139 139 PHE H H 139 7.466 7.466 7.648 -0.182 19311 598 1 . 1 1 140 140 LYS N N 140 110.734 110.734 115.666 -4.932 19311 599 1 . 1 1 140 140 LYS C C 140 175.951 175.951 175.263 0.688 19311 600 1 . 1 1 140 140 LYS CA C 140 56.106 56.106 56.940 -0.834 19311 601 1 . 1 1 140 140 LYS CB C 140 27.887 27.887 29.653 -1.766 19311 602 1 . 1 1 140 140 LYS H H 140 7.141 7.141 8.041 -0.900 19311 603 1 . 1 1 141 141 ILE N N 141 114.716 114.716 119.132 -4.416 19311 604 1 . 1 1 141 141 ILE C C 141 173.514 173.514 173.954 -0.440 19311 605 1 . 1 1 141 141 ILE CA C 141 58.801 58.801 59.870 -1.069 19311 606 1 . 1 1 141 141 ILE CB C 141 41.595 41.595 39.817 1.778 19311 607 1 . 1 1 141 141 ILE H H 141 7.309 7.309 7.815 -0.505 19311 608 1 . 1 1 142 142 SER N N 142 115.031 115.031 121.342 -6.311 19311 609 1 . 1 1 142 142 SER C C 142 176.437 176.437 175.372 1.065 19311 610 1 . 1 1 142 142 SER CA C 142 55.685 55.685 58.349 -2.664 19311 611 1 . 1 1 142 142 SER CB C 142 62.911 62.911 63.871 -0.960 19311 612 1 . 1 1 142 142 SER H H 142 7.814 7.814 8.305 -0.491 19311 613 1 . 1 1 143 143 LEU N N 143 127.405 127.405 126.701 0.704 19311 614 1 . 1 1 143 143 LEU C C 143 178.496 178.496 178.258 0.238 19311 615 1 . 1 1 143 143 LEU CA C 143 56.183 56.183 56.216 -0.033 19311 616 1 . 1 1 143 143 LEU CB C 143 40.186 40.186 41.762 -1.576 19311 617 1 . 1 1 143 143 LEU H H 143 8.735 8.735 9.262 -0.527 19311 618 1 . 1 1 144 144 SER N N 144 114.479 114.479 114.511 -0.032 19311 619 1 . 1 1 144 144 SER CA C 144 60.242 60.242 60.907 -0.665 19311 620 1 . 1 1 144 144 SER CB C 144 61.694 61.694 62.931 -1.238 19311 621 1 . 1 1 144 144 SER H H 144 8.140 8.140 8.013 0.127 19311 622 1 . 1 1 145 145 ASN N N 145 117.299 117.299 118.360 -1.061 19311 623 1 . 1 1 145 145 ASN C C 145 175.940 175.940 175.159 0.781 19311 624 1 . 1 1 145 145 ASN CA C 145 54.269 54.269 54.066 0.204 19311 625 1 . 1 1 145 145 ASN CB C 145 38.284 38.284 39.752 -1.468 19311 626 1 . 1 1 145 145 ASN H H 145 7.735 7.735 7.779 -0.044 19311 627 1 . 1 1 146 146 ILE N N 146 112.479 112.479 113.563 -1.084 19311 628 1 . 1 1 146 146 ILE C C 146 174.155 174.155 174.598 -0.443 19311 629 1 . 1 1 146 146 ILE CA C 146 60.838 60.838 61.049 -0.211 19311 630 1 . 1 1 146 146 ILE CB C 146 39.123 39.123 39.229 -0.106 19311 631 1 . 1 1 146 146 ILE H H 146 7.489 7.489 7.425 0.064 19311 632 1 . 1 1 147 147 SER N N 147 114.961 114.961 114.871 0.090 19311 633 1 . 1 1 147 147 SER CA C 147 56.770 56.770 57.336 -0.566 19311 634 1 . 1 1 147 147 SER CB C 147 64.077 64.077 65.575 -1.498 19311 635 1 . 1 1 147 147 SER H H 147 7.794 7.794 7.861 -0.067 19311 636 1 . 1 1 148 148 SER C C 148 174.292 174.292 174.459 -0.167 19311 637 1 . 1 1 148 148 SER CA C 148 58.192 58.192 59.010 -0.818 19311 638 1 . 1 1 148 148 SER CB C 148 62.840 62.840 63.135 -0.295 19311 639 1 . 1 1 149 149 LYS N N 149 122.096 122.096 121.554 0.542 19311 640 1 . 1 1 149 149 LYS CA C 149 54.607 54.607 54.690 -0.083 19311 641 1 . 1 1 149 149 LYS CB C 149 33.707 33.707 34.234 -0.527 19311 642 1 . 1 1 149 149 LYS H H 149 8.049 8.049 7.476 0.573 19311 643 1 . 1 1 150 150 GLU N N 150 120.070 120.070 119.028 1.042 19311 644 1 . 1 1 150 150 GLU C C 150 174.162 174.162 175.530 -1.368 19311 645 1 . 1 1 150 150 GLU CA C 150 56.703 56.703 56.946 -0.243 19311 646 1 . 1 1 150 150 GLU CB C 150 29.037 29.037 30.284 -1.247 19311 647 1 . 1 1 150 150 GLU H H 150 8.613 8.613 8.658 -0.045 19311 648 1 . 1 1 151 151 ILE N N 151 118.006 118.006 115.772 2.234 19311 649 1 . 1 1 151 151 ILE C C 151 175.069 175.069 174.456 0.613 19311 650 1 . 1 1 151 151 ILE CA C 151 59.088 59.088 59.575 -0.487 19311 651 1 . 1 1 151 151 ILE CB C 151 39.773 39.773 41.473 -1.700 19311 652 1 . 1 1 151 151 ILE H H 151 6.873 6.873 7.387 -0.513 19311 653 1 . 1 1 152 152 VAL N N 152 117.278 117.278 121.191 -3.913 19311 654 1 . 1 1 152 152 VAL CA C 152 56.340 56.340 57.928 -1.588 19311 655 1 . 1 1 152 152 VAL CB C 152 33.340 33.340 35.459 -2.119 19311 656 1 . 1 1 152 152 VAL H H 152 8.401 8.401 8.905 -0.504 19311 657 1 . 1 1 153 153 PRO C C 153 175.090 175.090 175.684 -0.594 19311 658 1 . 1 1 153 153 PRO CA C 153 60.885 60.885 62.432 -1.547 19311 659 1 . 1 1 153 153 PRO CB C 153 31.113 31.113 31.770 -0.657 19311 660 1 . 1 1 154 154 VAL N N 154 124.951 124.951 119.694 5.257 19311 661 1 . 1 1 154 154 VAL C C 154 174.325 174.325 174.474 -0.149 19311 662 1 . 1 1 154 154 VAL CA C 154 59.700 59.700 60.087 -0.387 19311 663 1 . 1 1 154 154 VAL CB C 154 35.364 35.364 36.263 -0.899 19311 664 1 . 1 1 154 154 VAL H H 154 9.206 9.206 8.626 0.580 19311 665 1 . 1 1 155 155 LEU N N 155 122.272 122.272 125.921 -3.649 19311 666 1 . 1 1 155 155 LEU C C 155 174.865 174.865 174.749 0.116 19311 667 1 . 1 1 155 155 LEU CA C 155 52.543 52.543 53.623 -1.080 19311 668 1 . 1 1 155 155 LEU CB C 155 43.016 43.016 43.420 -0.404 19311 669 1 . 1 1 155 155 LEU H H 155 7.818 7.818 8.726 -0.908 19311 670 1 . 1 1 156 156 ASN N N 156 126.663 126.663 125.642 1.021 19311 671 1 . 1 1 156 156 ASN C C 156 174.956 174.956 174.298 0.658 19311 672 1 . 1 1 156 156 ASN CA C 156 51.381 51.381 51.916 -0.535 19311 673 1 . 1 1 156 156 ASN CB C 156 38.588 38.588 39.790 -1.202 19311 674 1 . 1 1 156 156 ASN H H 156 9.256 9.256 9.049 0.207 19311 675 1 . 1 1 157 157 VAL N N 157 126.547 126.547 126.215 0.332 19311 676 1 . 1 1 157 157 VAL C C 157 174.990 174.990 174.729 0.261 19311 677 1 . 1 1 157 157 VAL CA C 157 62.737 62.737 61.926 0.811 19311 678 1 . 1 1 157 157 VAL CB C 157 33.901 33.901 33.820 0.081 19311 679 1 . 1 1 157 157 VAL H H 157 8.730 8.730 8.791 -0.061 19311 680 1 . 1 1 158 158 ASN N N 158 122.925 122.925 123.729 -0.804 19311 681 1 . 1 1 158 158 ASN C C 158 174.151 174.151 175.195 -1.044 19311 682 1 . 1 1 158 158 ASN CA C 158 53.155 53.155 53.630 -0.475 19311 683 1 . 1 1 158 158 ASN CB C 158 40.955 40.955 40.987 -0.032 19311 684 1 . 1 1 158 158 ASN H H 158 8.086 8.086 8.732 -0.646 19311 685 1 . 1 1 159 159 GLN N N 159 118.639 118.639 118.036 0.603 19311 686 1 . 1 1 159 159 GLN C C 159 174.146 174.146 173.807 0.339 19311 687 1 . 1 1 159 159 GLN CA C 159 54.960 54.960 54.454 0.506 19311 688 1 . 1 1 159 159 GLN CB C 159 33.259 33.259 32.141 1.118 19311 689 1 . 1 1 159 159 GLN H H 159 8.013 8.013 8.115 -0.102 19311 690 1 . 1 1 160 160 ALA N N 160 121.359 121.359 125.310 -3.951 19311 691 1 . 1 1 160 160 ALA C C 160 176.623 176.623 175.759 0.864 19311 692 1 . 1 1 160 160 ALA CA C 160 51.336 51.336 51.498 -0.162 19311 693 1 . 1 1 160 160 ALA CB C 160 20.748 20.748 22.718 -1.970 19311 694 1 . 1 1 160 160 ALA H H 160 8.277 8.277 8.497 -0.220 19311 695 1 . 1 1 161 161 THR N N 161 115.028 115.028 114.106 0.922 19311 696 1 . 1 1 161 161 THR CA C 161 59.988 59.988 60.978 -0.990 19311 697 1 . 1 1 161 161 THR CB C 161 69.766 69.766 71.797 -2.032 19311 698 1 . 1 1 161 161 THR H H 161 9.101 9.101 8.721 0.380 19311 699 1 . 1 1 162 162 ILE C C 162 175.079 175.079 174.823 0.256 19311 700 1 . 1 1 162 162 ILE CA C 162 62.025 62.025 60.919 1.107 19311 701 1 . 1 1 162 162 ILE CB C 162 39.360 39.360 39.856 -0.496 19311 702 1 . 1 1 163 163 PHE N N 163 128.730 128.730 126.530 2.200 19311 703 1 . 1 1 163 163 PHE CA C 163 59.063 59.063 57.359 1.704 19311 704 1 . 1 1 163 163 PHE CB C 163 39.535 39.535 42.738 -3.203 19311 705 1 . 1 1 163 163 PHE H H 163 9.310 9.310 8.988 0.322 19311 706 1 . 1 1 165 165 ILE C C 165 175.305 175.305 175.130 0.175 19311 707 1 . 1 1 165 165 ILE CA C 165 60.713 60.713 61.636 -0.923 19311 708 1 . 1 1 165 165 ILE CB C 165 38.555 38.555 38.917 -0.362 19311 709 1 . 1 1 166 166 ASP N N 166 124.971 124.971 120.186 4.785 19311 710 1 . 1 1 166 166 ASP C C 166 175.583 175.583 175.075 0.508 19311 711 1 . 1 1 166 166 ASP CA C 166 53.988 53.988 53.450 0.538 19311 712 1 . 1 1 166 166 ASP CB C 166 41.109 41.109 42.204 -1.095 19311 713 1 . 1 1 166 166 ASP H H 166 8.400 8.400 8.058 0.342 19311 714 1 . 1 1 167 167 GLN N N 167 122.323 122.323 122.962 -0.639 19311 715 1 . 1 1 167 167 GLN C C 167 175.699 175.699 175.426 0.273 19311 716 1 . 1 1 167 167 GLN CA C 167 55.012 55.012 56.287 -1.275 19311 717 1 . 1 1 167 167 GLN CB C 167 28.830 28.830 29.608 -0.778 19311 718 1 . 1 1 167 167 GLN H H 167 8.379 8.379 8.453 -0.074 19311 719 1 . 1 1 168 168 VAL N N 168 122.545 122.545 123.917 -1.372 19311 720 1 . 1 1 168 168 VAL C C 168 176.586 176.586 176.016 0.570 19311 721 1 . 1 1 168 168 VAL CA C 168 62.315 62.315 61.336 0.979 19311 722 1 . 1 1 168 168 VAL CB C 168 31.976 31.976 33.628 -1.652 19311 723 1 . 1 1 168 168 VAL H H 168 8.097 8.097 8.213 -0.116 19311 724 1 . 1 1 169 169 GLY N N 169 112.864 112.864 111.786 1.078 19311 725 1 . 1 1 169 169 GLY CA C 169 44.508 44.508 44.239 0.269 19311 726 1 . 1 1 169 169 GLY H H 169 8.349 8.349 8.373 -0.024 19311 727 1 . 1 1 171 171 LEU C C 171 177.338 177.338 176.642 0.696 19311 728 1 . 1 1 171 171 LEU CA C 171 54.598 54.598 55.021 -0.423 19311 729 1 . 1 1 171 171 LEU CB C 171 40.893 40.893 42.645 -1.752 19311 730 1 . 1 1 172 172 SER N N 172 117.418 117.418 120.925 -3.506 19311 731 1 . 1 1 172 172 SER C C 172 172.759 172.759 174.478 -1.719 19311 732 1 . 1 1 172 172 SER CA C 172 57.862 57.862 57.721 0.141 19311 733 1 . 1 1 172 172 SER CB C 172 63.116 63.116 64.468 -1.352 19311 734 1 . 1 1 172 172 SER H H 172 7.985 7.985 8.434 -0.449 19311 735 1 . 1 1 173 173 THR N N 173 116.665 116.665 114.888 1.777 19311 736 1 . 1 1 173 173 THR C C 173 173.571 173.571 173.617 -0.046 19311 737 1 . 1 1 173 173 THR CA C 173 61.126 61.126 62.928 -1.802 19311 738 1 . 1 1 173 173 THR CB C 173 69.260 69.260 68.644 0.616 19311 739 1 . 1 1 173 173 THR H H 173 7.922 7.922 8.219 -0.297 19311 740 1 . 1 1 174 174 PHE N N 174 125.740 125.740 120.891 4.849 19311 741 1 . 1 1 174 174 PHE CA C 174 54.742 54.742 54.804 -0.062 19311 742 1 . 1 1 174 174 PHE CB C 174 38.364 38.364 39.575 -1.211 19311 743 1 . 1 1 174 174 PHE H H 174 8.618 8.618 7.659 0.959 19311 744 1 . 1 1 175 175 PRO C C 175 178.235 178.235 175.755 2.480 19311 745 1 . 1 1 175 175 PRO CA C 175 61.555 61.555 62.795 -1.240 19311 746 1 . 1 1 175 175 PRO CB C 175 31.606 31.606 32.150 -0.544 19311 747 1 . 1 1 176 176 PHE N N 176 119.598 119.598 120.014 -0.416 19311 748 1 . 1 1 176 176 PHE C C 176 178.361 178.361 177.576 0.785 19311 749 1 . 1 1 176 176 PHE CA C 176 59.631 59.631 58.383 1.248 19311 750 1 . 1 1 176 176 PHE CB C 176 39.493 39.493 39.886 -0.393 19311 751 1 . 1 1 176 176 PHE H H 176 9.179 9.179 8.439 0.740 19311 752 1 . 1 1 177 177 VAL N N 177 121.283 121.283 120.849 0.434 19311 753 1 . 1 1 177 177 VAL C C 177 174.922 174.922 176.827 -1.905 19311 754 1 . 1 1 177 177 VAL CA C 177 62.670 62.670 65.580 -2.910 19311 755 1 . 1 1 177 177 VAL CB C 177 31.437 31.437 31.774 -0.337 19311 756 1 . 1 1 177 177 VAL H H 177 9.408 9.408 8.096 1.312 19311 757 1 . 1 1 178 178 TYR N N 178 116.602 116.602 116.855 -0.253 19311 758 1 . 1 1 178 178 TYR C C 178 176.839 176.839 177.418 -0.579 19311 759 1 . 1 1 178 178 TYR CA C 178 56.575 56.575 59.107 -2.532 19311 760 1 . 1 1 178 178 TYR CB C 178 35.764 35.764 37.698 -1.934 19311 761 1 . 1 1 178 178 TYR H H 178 6.166 6.166 7.975 -1.809 19311 762 1 . 1 1 179 179 LYS N N 179 118.114 118.114 119.455 -1.341 19311 763 1 . 1 1 179 179 LYS C C 179 176.384 176.384 176.930 -0.546 19311 764 1 . 1 1 179 179 LYS CA C 179 57.540 57.540 58.025 -0.485 19311 765 1 . 1 1 179 179 LYS CB C 179 31.024 31.024 32.103 -1.079 19311 766 1 . 1 1 179 179 LYS H H 179 7.554 7.554 7.806 -0.252 19311 767 1 . 1 1 180 180 TYR N N 180 117.346 117.346 116.611 0.735 19311 768 1 . 1 1 180 180 TYR C C 180 174.479 174.479 175.103 -0.624 19311 769 1 . 1 1 180 180 TYR CA C 180 57.407 57.407 57.266 0.141 19311 770 1 . 1 1 180 180 TYR CB C 180 38.020 38.020 38.248 -0.228 19311 771 1 . 1 1 180 180 TYR H H 180 7.788 7.788 7.694 0.094 19311 stop_ save_