data_25872 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25872 _Entry.PDB_ID 2N90 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 25872 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 LYS N N 2 123.102 123.102 122.817 0.285 25872 2 1 1 . 1 1 2 2 LYS H H 2 8.483 8.483 8.406 0.077 25872 3 1 1 . 1 1 3 3 LYS N N 3 123.206 123.206 121.983 1.223 25872 4 1 1 . 1 1 3 3 LYS HA H 3 4.364 4.364 4.640 -0.276 25872 5 1 1 . 1 1 3 3 LYS C C 3 173.506 173.506 175.417 -1.911 25872 6 1 1 . 1 1 3 3 LYS CA C 3 54.569 54.569 55.472 -0.903 25872 7 1 1 . 1 1 3 3 LYS CB C 3 30.685 30.685 34.167 -3.482 25872 8 1 1 . 1 1 3 3 LYS H H 3 8.609 8.609 8.440 0.169 25872 9 1 1 . 1 1 4 4 ASP N N 4 120.271 120.271 121.919 -1.648 25872 10 1 1 . 1 1 4 4 ASP HA H 4 4.706 4.706 4.641 0.065 25872 11 1 1 . 1 1 4 4 ASP C C 4 173.339 173.339 175.216 -1.877 25872 12 1 1 . 1 1 4 4 ASP CA C 4 52.055 52.055 54.536 -2.481 25872 13 1 1 . 1 1 4 4 ASP CB C 4 38.662 38.662 41.440 -2.777 25872 14 1 1 . 1 1 4 4 ASP H H 4 8.420 8.420 8.709 -0.289 25872 15 1 1 . 1 1 5 5 GLU N N 5 120.404 120.404 118.072 2.332 25872 16 1 1 . 1 1 5 5 GLU HA H 5 4.516 4.516 4.548 -0.032 25872 17 1 1 . 1 1 5 5 GLU C C 5 173.506 173.506 175.035 -1.529 25872 18 1 1 . 1 1 5 5 GLU CA C 5 53.808 53.808 55.836 -2.028 25872 19 1 1 . 1 1 5 5 GLU CB C 5 28.434 28.434 29.764 -1.330 25872 20 1 1 . 1 1 5 5 GLU H H 5 8.177 8.177 8.456 -0.279 25872 21 1 1 . 1 1 6 6 THR N N 6 117.433 117.433 114.234 3.199 25872 22 1 1 . 1 1 6 6 THR HA H 6 4.649 4.649 4.625 0.024 25872 23 1 1 . 1 1 6 6 THR C C 6 170.644 170.644 172.607 -1.963 25872 24 1 1 . 1 1 6 6 THR CA C 6 57.823 57.823 59.113 -1.290 25872 25 1 1 . 1 1 6 6 THR CB C 6 67.184 67.184 69.084 -1.900 25872 26 1 1 . 1 1 6 6 THR H H 6 8.314 8.314 7.898 0.416 25872 27 1 1 . 1 1 7 7 PRO HA H 7 4.569 4.569 4.311 0.258 25872 28 1 1 . 1 1 7 7 PRO C C 7 173.983 173.983 175.300 -1.317 25872 29 1 1 . 1 1 7 7 PRO CA C 7 60.843 60.843 62.820 -1.977 25872 30 1 1 . 1 1 7 7 PRO CB C 7 29.556 29.556 32.010 -2.454 25872 31 1 1 . 1 1 8 8 PHE N N 8 119.597 119.597 121.252 -1.655 25872 32 1 1 . 1 1 8 8 PHE HA H 8 4.612 4.612 4.564 0.048 25872 33 1 1 . 1 1 8 8 PHE C C 8 173.291 173.291 175.823 -2.532 25872 34 1 1 . 1 1 8 8 PHE CA C 8 56.320 56.320 58.046 -1.726 25872 35 1 1 . 1 1 8 8 PHE CB C 8 37.156 37.156 40.621 -3.465 25872 36 1 1 . 1 1 8 8 PHE H H 8 8.381 8.381 8.162 0.219 25872 37 1 1 . 1 1 9 9 GLY N N 9 107.586 107.586 114.479 -6.893 25872 38 1 1 . 1 1 9 9 GLY C C 9 171.741 171.741 175.378 -3.637 25872 39 1 1 . 1 1 9 9 GLY CA C 9 43.719 43.719 44.705 -0.986 25872 40 1 1 . 1 1 9 9 GLY H H 9 8.557 8.557 8.590 -0.033 25872 41 1 1 . 1 1 10 10 VAL N N 10 118.248 118.248 125.269 -7.021 25872 42 1 1 . 1 1 10 10 VAL HA H 10 3.984 3.984 3.729 0.255 25872 43 1 1 . 1 1 10 10 VAL C C 10 173.124 173.124 177.548 -4.424 25872 44 1 1 . 1 1 10 10 VAL CA C 10 62.233 62.233 64.932 -2.699 25872 45 1 1 . 1 1 10 10 VAL CB C 10 30.351 30.351 32.001 -1.650 25872 46 1 1 . 1 1 10 10 VAL H H 10 7.970 7.970 8.386 -0.416 25872 47 1 1 . 1 1 11 11 SER N N 11 116.602 116.602 115.392 1.210 25872 48 1 1 . 1 1 11 11 SER HA H 11 4.339 4.339 4.255 0.084 25872 49 1 1 . 1 1 11 11 SER C C 11 172.929 172.929 176.711 -3.782 25872 50 1 1 . 1 1 11 11 SER CA C 11 58.493 58.493 61.149 -2.656 25872 51 1 1 . 1 1 11 11 SER CB C 11 60.928 60.928 62.888 -1.960 25872 52 1 1 . 1 1 11 11 SER H H 11 8.180 8.180 8.375 -0.195 25872 53 1 1 . 1 1 12 12 VAL N N 12 121.016 121.016 120.896 0.120 25872 54 1 1 . 1 1 12 12 VAL HA H 12 3.728 3.728 3.751 -0.023 25872 55 1 1 . 1 1 12 12 VAL C C 12 174.197 174.197 177.170 -2.973 25872 56 1 1 . 1 1 12 12 VAL CA C 12 63.881 63.881 65.093 -1.212 25872 57 1 1 . 1 1 12 12 VAL CB C 12 29.115 29.115 31.718 -2.603 25872 58 1 1 . 1 1 12 12 VAL H H 12 8.356 8.356 7.886 0.470 25872 59 1 1 . 1 1 13 13 ALA N N 13 121.087 121.087 122.442 -1.355 25872 60 1 1 . 1 1 13 13 ALA HA H 13 4.066 4.066 4.042 0.024 25872 61 1 1 . 1 1 13 13 ALA C C 13 176.105 176.105 179.942 -3.837 25872 62 1 1 . 1 1 13 13 ALA CA C 13 53.461 53.461 55.364 -1.903 25872 63 1 1 . 1 1 13 13 ALA CB C 13 16.246 16.246 18.221 -1.975 25872 64 1 1 . 1 1 13 13 ALA H H 13 8.162 8.162 7.819 0.343 25872 65 1 1 . 1 1 14 14 VAL N N 14 115.686 115.686 119.182 -3.496 25872 66 1 1 . 1 1 14 14 VAL HA H 14 3.669 3.669 3.638 0.031 25872 67 1 1 . 1 1 14 14 VAL C C 14 175.247 175.247 178.190 -2.943 25872 68 1 1 . 1 1 14 14 VAL CA C 14 64.315 64.315 65.969 -1.654 25872 69 1 1 . 1 1 14 14 VAL CB C 14 29.199 29.199 31.112 -1.913 25872 70 1 1 . 1 1 14 14 VAL H H 14 8.175 8.175 8.517 -0.342 25872 71 1 1 . 1 1 15 15 GLY N N 15 106.431 106.431 107.612 -1.181 25872 72 1 1 . 1 1 15 15 GLY C C 15 172.266 172.266 176.330 -4.064 25872 73 1 1 . 1 1 15 15 GLY CA C 15 45.494 45.494 47.274 -1.780 25872 74 1 1 . 1 1 15 15 GLY H H 15 8.465 8.465 7.764 0.701 25872 75 1 1 . 1 1 16 16 LEU N N 16 120.605 120.605 122.804 -2.199 25872 76 1 1 . 1 1 16 16 LEU HA H 16 4.222 4.222 3.883 0.339 25872 77 1 1 . 1 1 16 16 LEU C C 16 175.676 175.676 178.990 -3.314 25872 78 1 1 . 1 1 16 16 LEU CA C 16 55.691 55.691 57.792 -2.101 25872 79 1 1 . 1 1 16 16 LEU CB C 16 39.529 39.529 41.752 -2.223 25872 80 1 1 . 1 1 16 16 LEU H H 16 8.764 8.764 8.309 0.455 25872 81 1 1 . 1 1 17 17 ALA N N 17 121.535 121.535 121.697 -0.162 25872 82 1 1 . 1 1 17 17 ALA HA H 17 4.127 4.127 3.964 0.163 25872 83 1 1 . 1 1 17 17 ALA C C 17 176.892 176.892 179.621 -2.729 25872 84 1 1 . 1 1 17 17 ALA CA C 17 53.317 53.317 55.391 -2.074 25872 85 1 1 . 1 1 17 17 ALA CB C 17 15.647 15.647 18.011 -2.364 25872 86 1 1 . 1 1 17 17 ALA H H 17 8.315 8.315 7.937 0.378 25872 87 1 1 . 1 1 18 18 VAL N N 18 118.055 118.055 119.132 -1.077 25872 88 1 1 . 1 1 18 18 VAL HA H 18 3.592 3.592 3.635 -0.043 25872 89 1 1 . 1 1 18 18 VAL C C 18 175.271 175.271 178.043 -2.772 25872 90 1 1 . 1 1 18 18 VAL CA C 18 64.999 64.999 66.269 -1.270 25872 91 1 1 . 1 1 18 18 VAL CB C 18 28.838 28.838 31.266 -2.428 25872 92 1 1 . 1 1 18 18 VAL H H 18 8.687 8.687 7.913 0.774 25872 93 1 1 . 1 1 19 19 PHE N N 19 119.235 119.235 120.003 -0.768 25872 94 1 1 . 1 1 19 19 PHE HA H 19 4.167 4.167 4.019 0.148 25872 95 1 1 . 1 1 19 19 PHE C C 19 174.197 174.197 177.126 -2.929 25872 96 1 1 . 1 1 19 19 PHE CA C 19 59.852 59.852 62.248 -2.396 25872 97 1 1 . 1 1 19 19 PHE CB C 19 36.490 36.490 38.835 -2.345 25872 98 1 1 . 1 1 19 19 PHE H H 19 8.622 8.622 8.096 0.526 25872 99 1 1 . 1 1 20 20 ALA N N 20 120.852 120.852 121.670 -0.818 25872 100 1 1 . 1 1 20 20 ALA HA H 20 3.936 3.936 4.131 -0.195 25872 101 1 1 . 1 1 20 20 ALA C C 20 176.558 176.558 179.460 -2.902 25872 102 1 1 . 1 1 20 20 ALA CA C 20 53.352 53.352 55.405 -2.053 25872 103 1 1 . 1 1 20 20 ALA CB C 20 15.324 15.324 18.003 -2.679 25872 104 1 1 . 1 1 20 20 ALA H H 20 9.059 9.059 8.579 0.480 25872 105 1 1 . 1 1 21 21 CYS N N 21 115.298 115.298 117.976 -2.678 25872 106 1 1 . 1 1 21 21 CYS HA H 21 4.141 4.141 4.091 0.050 25872 107 1 1 . 1 1 21 21 CYS CA C 21 61.968 61.968 64.648 -2.680 25872 108 1 1 . 1 1 21 21 CYS H H 21 8.311 8.311 8.476 -0.165 25872 109 1 1 . 1 1 22 22 LEU N N 22 122.447 122.447 120.627 1.820 25872 110 1 1 . 1 1 22 22 LEU HA H 22 4.077 4.077 3.932 0.145 25872 111 1 1 . 1 1 22 22 LEU C C 22 176.153 176.153 178.959 -2.806 25872 112 1 1 . 1 1 22 22 LEU CA C 22 55.797 55.797 57.907 -2.110 25872 113 1 1 . 1 1 22 22 LEU CB C 22 39.312 39.312 41.685 -2.373 25872 114 1 1 . 1 1 22 22 LEU H H 22 8.607 8.607 7.777 0.830 25872 115 1 1 . 1 1 23 23 PHE N N 23 122.153 122.153 120.706 1.447 25872 116 1 1 . 1 1 23 23 PHE HA H 23 4.041 4.041 4.130 -0.089 25872 117 1 1 . 1 1 23 23 PHE C C 23 173.959 173.959 177.151 -3.192 25872 118 1 1 . 1 1 23 23 PHE CA C 23 59.055 59.055 59.982 -0.927 25872 119 1 1 . 1 1 23 23 PHE CB C 23 36.704 36.704 38.556 -1.852 25872 120 1 1 . 1 1 23 23 PHE H H 23 8.998 8.998 7.952 1.046 25872 121 1 1 . 1 1 24 24 LEU N N 24 118.082 118.082 118.419 -0.337 25872 122 1 1 . 1 1 24 24 LEU HA H 24 3.896 3.896 3.620 0.276 25872 123 1 1 . 1 1 24 24 LEU C C 24 175.915 175.915 178.955 -3.040 25872 124 1 1 . 1 1 24 24 LEU CA C 24 55.787 55.787 57.735 -1.948 25872 125 1 1 . 1 1 24 24 LEU CB C 24 39.488 39.488 41.492 -2.004 25872 126 1 1 . 1 1 24 24 LEU H H 24 8.653 8.653 8.117 0.536 25872 127 1 1 . 1 1 25 25 SER N N 25 113.414 113.414 115.783 -2.369 25872 128 1 1 . 1 1 25 25 SER HA H 25 4.080 4.080 4.212 -0.132 25872 129 1 1 . 1 1 25 25 SER C C 25 172.719 172.719 176.522 -3.803 25872 130 1 1 . 1 1 25 25 SER CA C 25 61.220 61.220 62.495 -1.275 25872 131 1 1 . 1 1 25 25 SER CB C 25 60.568 60.568 62.876 -2.308 25872 132 1 1 . 1 1 25 25 SER H H 25 8.172 8.172 7.962 0.210 25872 133 1 1 . 1 1 26 26 THR N N 26 117.783 117.783 120.245 -2.462 25872 134 1 1 . 1 1 26 26 THR HA H 26 3.787 3.787 4.008 -0.221 25872 135 1 1 . 1 1 26 26 THR C C 26 175.676 175.676 176.346 -0.670 25872 136 1 1 . 1 1 26 26 THR CA C 26 65.563 65.563 67.365 -1.802 25872 137 1 1 . 1 1 26 26 THR CB C 26 65.262 65.262 68.864 -3.602 25872 138 1 1 . 1 1 26 26 THR H H 26 7.845 7.845 8.259 -0.414 25872 139 1 1 . 1 1 27 27 LEU N N 27 121.022 121.022 121.357 -0.335 25872 140 1 1 . 1 1 27 27 LEU HA H 27 3.891 3.891 3.954 -0.063 25872 141 1 1 . 1 1 27 27 LEU C C 27 175.676 175.676 178.579 -2.903 25872 142 1 1 . 1 1 27 27 LEU CA C 27 55.991 55.991 58.039 -2.048 25872 143 1 1 . 1 1 27 27 LEU CB C 27 39.194 39.194 41.242 -2.048 25872 144 1 1 . 1 1 27 27 LEU H H 27 8.053 8.053 7.743 0.310 25872 145 1 1 . 1 1 28 28 LEU N N 28 117.328 117.328 119.441 -2.113 25872 146 1 1 . 1 1 28 28 LEU HA H 28 4.040 4.040 3.888 0.152 25872 147 1 1 . 1 1 28 28 LEU C C 28 176.439 176.439 179.070 -2.631 25872 148 1 1 . 1 1 28 28 LEU CA C 28 55.847 55.847 58.037 -2.190 25872 149 1 1 . 1 1 28 28 LEU CB C 28 39.186 39.186 41.693 -2.507 25872 150 1 1 . 1 1 28 28 LEU H H 28 8.206 8.206 7.720 0.486 25872 151 1 1 . 1 1 29 29 LEU N N 29 119.596 119.596 119.356 0.240 25872 152 1 1 . 1 1 29 29 LEU HA H 29 4.173 4.173 3.957 0.216 25872 153 1 1 . 1 1 29 29 LEU C C 29 176.773 176.773 179.041 -2.268 25872 154 1 1 . 1 1 29 29 LEU CA C 29 55.943 55.943 58.012 -2.069 25872 155 1 1 . 1 1 29 29 LEU CB C 29 39.593 39.593 41.727 -2.134 25872 156 1 1 . 1 1 29 29 LEU H H 29 8.121 8.121 7.685 0.436 25872 157 1 1 . 1 1 30 30 VAL N N 30 118.438 118.438 119.765 -1.327 25872 158 1 1 . 1 1 30 30 VAL HA H 30 3.743 3.743 3.599 0.144 25872 159 1 1 . 1 1 30 30 VAL C C 30 175.294 175.294 178.438 -3.144 25872 160 1 1 . 1 1 30 30 VAL CA C 30 64.164 64.164 67.050 -2.886 25872 161 1 1 . 1 1 30 30 VAL CB C 30 29.137 29.137 31.189 -2.052 25872 162 1 1 . 1 1 30 30 VAL H H 30 8.429 8.429 8.172 0.257 25872 163 1 1 . 1 1 31 31 LEU N N 31 119.064 119.064 120.559 -1.495 25872 164 1 1 . 1 1 31 31 LEU HA H 31 4.158 4.158 3.961 0.197 25872 165 1 1 . 1 1 31 31 LEU C C 31 176.058 176.058 178.879 -2.821 25872 166 1 1 . 1 1 31 31 LEU CA C 31 55.204 55.204 58.042 -2.838 25872 167 1 1 . 1 1 31 31 LEU CB C 31 39.340 39.340 41.654 -2.314 25872 168 1 1 . 1 1 31 31 LEU H H 31 8.552 8.552 7.988 0.564 25872 169 1 1 . 1 1 32 32 ASN HA H 32 4.632 4.632 4.505 0.127 25872 170 1 1 . 1 1 32 32 ASN H H 32 8.148 8.148 7.901 0.247 25872 171 1 1 . 1 1 33 33 LYS N N 33 118.261 118.261 119.013 -0.752 25872 172 1 1 . 1 1 33 33 LYS HA H 33 4.334 4.334 4.157 0.177 25872 173 1 1 . 1 1 33 33 LYS C C 33 174.722 174.722 176.546 -1.824 25872 174 1 1 . 1 1 33 33 LYS CA C 33 54.918 54.918 57.423 -2.505 25872 175 1 1 . 1 1 33 33 LYS CB C 33 30.315 30.315 33.199 -2.884 25872 176 1 1 . 1 1 33 33 LYS H H 33 8.074 8.074 8.099 -0.025 25872 177 1 1 . 1 1 34 34 ALA N N 34 120.974 120.974 119.541 1.433 25872 178 1 1 . 1 1 34 34 ALA HA H 34 4.381 4.381 4.121 0.260 25872 179 1 1 . 1 1 34 34 ALA C C 34 175.557 175.557 176.819 -1.262 25872 180 1 1 . 1 1 34 34 ALA CA C 34 50.859 50.859 52.891 -2.032 25872 181 1 1 . 1 1 34 34 ALA CB C 34 16.769 16.769 17.070 -0.301 25872 182 1 1 . 1 1 34 34 ALA H H 34 8.344 8.344 7.925 0.419 25872 183 1 1 . 1 1 35 35 GLY N N 35 105.444 105.444 105.474 -0.030 25872 184 1 1 . 1 1 35 35 GLY C C 35 171.431 171.431 172.800 -1.369 25872 185 1 1 . 1 1 35 35 GLY CA C 35 43.302 43.302 44.961 -1.659 25872 186 1 1 . 1 1 35 35 GLY H H 35 8.192 8.192 8.025 0.167 25872 187 1 1 . 1 1 36 36 ARG N N 36 119.296 119.296 122.833 -3.537 25872 188 1 1 . 1 1 36 36 ARG HA H 36 4.474 4.474 4.407 0.068 25872 189 1 1 . 1 1 36 36 ARG C C 36 173.530 173.530 176.238 -2.708 25872 190 1 1 . 1 1 36 36 ARG CA C 36 53.566 53.566 56.146 -2.580 25872 191 1 1 . 1 1 36 36 ARG CB C 36 28.281 28.281 31.414 -3.133 25872 192 1 1 . 1 1 36 36 ARG H H 36 7.991 7.991 8.435 -0.444 25872 193 1 1 . 1 1 37 37 ARG N N 37 120.950 120.950 122.913 -1.963 25872 194 1 1 . 1 1 37 37 ARG HA H 37 4.460 4.460 4.424 0.036 25872 195 1 1 . 1 1 37 37 ARG C C 37 173.411 173.411 176.392 -2.981 25872 196 1 1 . 1 1 37 37 ARG CA C 37 53.772 53.772 55.704 -1.932 25872 197 1 1 . 1 1 37 37 ARG CB C 37 28.416 28.416 30.772 -2.356 25872 198 1 1 . 1 1 37 37 ARG H H 37 8.320 8.320 8.463 -0.143 25872 199 1 1 . 1 1 38 38 ASN HA H 38 4.806 4.806 4.742 0.064 25872 200 1 1 . 1 1 38 38 ASN C C 38 171.383 171.383 175.468 -4.085 25872 201 1 1 . 1 1 38 38 ASN CA C 38 51.070 51.070 52.824 -1.754 25872 202 1 2 . 1 1 2 2 LYS N N 2 123.102 123.102 120.872 2.230 25872 203 1 2 . 1 1 2 2 LYS H H 2 8.483 8.483 8.217 0.266 25872 204 1 2 . 1 1 3 3 LYS N N 3 123.206 123.206 122.083 1.123 25872 205 1 2 . 1 1 3 3 LYS HA H 3 4.364 4.364 4.506 -0.142 25872 206 1 2 . 1 1 3 3 LYS C C 3 173.506 173.506 175.370 -1.864 25872 207 1 2 . 1 1 3 3 LYS CA C 3 54.569 54.569 55.959 -1.390 25872 208 1 2 . 1 1 3 3 LYS CB C 3 30.685 30.685 33.154 -2.469 25872 209 1 2 . 1 1 3 3 LYS H H 3 8.609 8.609 7.674 0.935 25872 210 1 2 . 1 1 4 4 ASP N N 4 120.271 120.271 124.037 -3.766 25872 211 1 2 . 1 1 4 4 ASP HA H 4 4.706 4.706 4.738 -0.032 25872 212 1 2 . 1 1 4 4 ASP C C 4 173.339 173.339 176.358 -3.019 25872 213 1 2 . 1 1 4 4 ASP CA C 4 52.055 52.055 52.996 -0.941 25872 214 1 2 . 1 1 4 4 ASP CB C 4 38.662 38.662 41.613 -2.951 25872 215 1 2 . 1 1 4 4 ASP H H 4 8.420 8.420 8.261 0.159 25872 216 1 2 . 1 1 5 5 GLU N N 5 120.404 120.404 119.076 1.328 25872 217 1 2 . 1 1 5 5 GLU HA H 5 4.516 4.516 4.333 0.183 25872 218 1 2 . 1 1 5 5 GLU C C 5 173.506 173.506 176.903 -3.397 25872 219 1 2 . 1 1 5 5 GLU CA C 5 53.808 53.808 58.017 -4.209 25872 220 1 2 . 1 1 5 5 GLU CB C 5 28.434 28.434 29.986 -1.552 25872 221 1 2 . 1 1 5 5 GLU H H 5 8.177 8.177 8.599 -0.422 25872 222 1 2 . 1 1 6 6 THR N N 6 117.433 117.433 111.551 5.882 25872 223 1 2 . 1 1 6 6 THR HA H 6 4.649 4.649 4.612 0.037 25872 224 1 2 . 1 1 6 6 THR C C 6 170.644 170.644 172.243 -1.599 25872 225 1 2 . 1 1 6 6 THR CA C 6 57.823 57.823 60.030 -2.207 25872 226 1 2 . 1 1 6 6 THR CB C 6 67.184 67.184 70.299 -3.115 25872 227 1 2 . 1 1 6 6 THR H H 6 8.314 8.314 7.719 0.595 25872 228 1 2 . 1 1 7 7 PRO HA H 7 4.569 4.569 4.634 -0.065 25872 229 1 2 . 1 1 7 7 PRO C C 7 173.983 173.983 175.716 -1.733 25872 230 1 2 . 1 1 7 7 PRO CA C 7 60.843 60.843 62.929 -2.086 25872 231 1 2 . 1 1 7 7 PRO CB C 7 29.556 29.556 32.410 -2.854 25872 232 1 2 . 1 1 8 8 PHE N N 8 119.597 119.597 119.017 0.580 25872 233 1 2 . 1 1 8 8 PHE HA H 8 4.612 4.612 4.697 -0.085 25872 234 1 2 . 1 1 8 8 PHE C C 8 173.291 173.291 176.663 -3.372 25872 235 1 2 . 1 1 8 8 PHE CA C 8 56.320 56.320 57.604 -1.284 25872 236 1 2 . 1 1 8 8 PHE CB C 8 37.156 37.156 40.033 -2.877 25872 237 1 2 . 1 1 8 8 PHE H H 8 8.381 8.381 8.368 0.013 25872 238 1 2 . 1 1 9 9 GLY N N 9 107.586 107.586 109.834 -2.248 25872 239 1 2 . 1 1 9 9 GLY C C 9 171.741 171.741 174.447 -2.706 25872 240 1 2 . 1 1 9 9 GLY CA C 9 43.719 43.719 44.253 -0.534 25872 241 1 2 . 1 1 9 9 GLY H H 9 8.557 8.557 8.638 -0.081 25872 242 1 2 . 1 1 10 10 VAL N N 10 118.248 118.248 123.006 -4.758 25872 243 1 2 . 1 1 10 10 VAL HA H 10 3.984 3.984 3.517 0.467 25872 244 1 2 . 1 1 10 10 VAL C C 10 173.124 173.124 177.152 -4.028 25872 245 1 2 . 1 1 10 10 VAL CA C 10 62.233 62.233 65.936 -3.703 25872 246 1 2 . 1 1 10 10 VAL CB C 10 30.351 30.351 31.810 -1.459 25872 247 1 2 . 1 1 10 10 VAL H H 10 7.970 7.970 7.201 0.769 25872 248 1 2 . 1 1 11 11 SER N N 11 116.602 116.602 114.811 1.791 25872 249 1 2 . 1 1 11 11 SER HA H 11 4.339 4.339 4.091 0.248 25872 250 1 2 . 1 1 11 11 SER C C 11 172.929 172.929 176.458 -3.529 25872 251 1 2 . 1 1 11 11 SER CA C 11 58.493 58.493 61.654 -3.161 25872 252 1 2 . 1 1 11 11 SER CB C 11 60.928 60.928 62.812 -1.884 25872 253 1 2 . 1 1 11 11 SER H H 11 8.180 8.180 8.281 -0.101 25872 254 1 2 . 1 1 12 12 VAL N N 12 121.016 121.016 122.317 -1.301 25872 255 1 2 . 1 1 12 12 VAL HA H 12 3.728 3.728 3.698 0.030 25872 256 1 2 . 1 1 12 12 VAL C C 12 174.197 174.197 177.334 -3.137 25872 257 1 2 . 1 1 12 12 VAL CA C 12 63.881 63.881 65.725 -1.844 25872 258 1 2 . 1 1 12 12 VAL CB C 12 29.115 29.115 31.481 -2.366 25872 259 1 2 . 1 1 12 12 VAL H H 12 8.356 8.356 7.633 0.723 25872 260 1 2 . 1 1 13 13 ALA N N 13 121.087 121.087 121.933 -0.846 25872 261 1 2 . 1 1 13 13 ALA HA H 13 4.066 4.066 4.011 0.055 25872 262 1 2 . 1 1 13 13 ALA C C 13 176.105 176.105 179.985 -3.880 25872 263 1 2 . 1 1 13 13 ALA CA C 13 53.461 53.461 55.298 -1.837 25872 264 1 2 . 1 1 13 13 ALA CB C 13 16.246 16.246 18.026 -1.780 25872 265 1 2 . 1 1 13 13 ALA H H 13 8.162 8.162 7.631 0.531 25872 266 1 2 . 1 1 14 14 VAL N N 14 115.686 115.686 118.675 -2.989 25872 267 1 2 . 1 1 14 14 VAL HA H 14 3.669 3.669 3.669 0.000 25872 268 1 2 . 1 1 14 14 VAL C C 14 175.247 175.247 178.256 -3.009 25872 269 1 2 . 1 1 14 14 VAL CA C 14 64.315 64.315 65.426 -1.111 25872 270 1 2 . 1 1 14 14 VAL CB C 14 29.199 29.199 31.030 -1.831 25872 271 1 2 . 1 1 14 14 VAL H H 14 8.175 8.175 8.244 -0.069 25872 272 1 2 . 1 1 15 15 GLY N N 15 106.431 106.431 107.599 -1.168 25872 273 1 2 . 1 1 15 15 GLY C C 15 172.266 172.266 176.305 -4.039 25872 274 1 2 . 1 1 15 15 GLY CA C 15 45.494 45.494 47.260 -1.766 25872 275 1 2 . 1 1 15 15 GLY H H 15 8.465 8.465 7.762 0.703 25872 276 1 2 . 1 1 16 16 LEU N N 16 120.605 120.605 122.754 -2.149 25872 277 1 2 . 1 1 16 16 LEU HA H 16 4.222 4.222 3.873 0.349 25872 278 1 2 . 1 1 16 16 LEU C C 16 175.676 175.676 178.965 -3.289 25872 279 1 2 . 1 1 16 16 LEU CA C 16 55.691 55.691 57.776 -2.085 25872 280 1 2 . 1 1 16 16 LEU CB C 16 39.529 39.529 41.741 -2.212 25872 281 1 2 . 1 1 16 16 LEU H H 16 8.764 8.764 8.425 0.339 25872 282 1 2 . 1 1 17 17 ALA N N 17 121.535 121.535 121.620 -0.085 25872 283 1 2 . 1 1 17 17 ALA HA H 17 4.127 4.127 3.952 0.175 25872 284 1 2 . 1 1 17 17 ALA C C 17 176.892 176.892 179.611 -2.719 25872 285 1 2 . 1 1 17 17 ALA CA C 17 53.317 53.317 55.371 -2.054 25872 286 1 2 . 1 1 17 17 ALA CB C 17 15.647 15.647 17.993 -2.346 25872 287 1 2 . 1 1 17 17 ALA H H 17 8.315 8.315 7.865 0.450 25872 288 1 2 . 1 1 18 18 VAL N N 18 118.055 118.055 119.110 -1.055 25872 289 1 2 . 1 1 18 18 VAL HA H 18 3.592 3.592 3.622 -0.030 25872 290 1 2 . 1 1 18 18 VAL C C 18 175.271 175.271 178.015 -2.744 25872 291 1 2 . 1 1 18 18 VAL CA C 18 64.999 64.999 66.362 -1.363 25872 292 1 2 . 1 1 18 18 VAL CB C 18 28.838 28.838 31.305 -2.467 25872 293 1 2 . 1 1 18 18 VAL H H 18 8.687 8.687 7.848 0.839 25872 294 1 2 . 1 1 19 19 PHE N N 19 119.235 119.235 119.988 -0.753 25872 295 1 2 . 1 1 19 19 PHE HA H 19 4.167 4.167 4.016 0.151 25872 296 1 2 . 1 1 19 19 PHE C C 19 174.197 174.197 177.115 -2.918 25872 297 1 2 . 1 1 19 19 PHE CA C 19 59.852 59.852 62.241 -2.389 25872 298 1 2 . 1 1 19 19 PHE CB C 19 36.490 36.490 38.833 -2.343 25872 299 1 2 . 1 1 19 19 PHE H H 19 8.622 8.622 8.083 0.539 25872 300 1 2 . 1 1 20 20 ALA N N 20 120.852 120.852 121.673 -0.821 25872 301 1 2 . 1 1 20 20 ALA HA H 20 3.936 3.936 4.124 -0.188 25872 302 1 2 . 1 1 20 20 ALA C C 20 176.558 176.558 179.449 -2.891 25872 303 1 2 . 1 1 20 20 ALA CA C 20 53.352 53.352 55.403 -2.051 25872 304 1 2 . 1 1 20 20 ALA CB C 20 15.324 15.324 17.996 -2.672 25872 305 1 2 . 1 1 20 20 ALA H H 20 9.059 9.059 8.570 0.489 25872 306 1 2 . 1 1 21 21 CYS N N 21 115.298 115.298 118.029 -2.731 25872 307 1 2 . 1 1 21 21 CYS HA H 21 4.141 4.141 4.092 0.049 25872 308 1 2 . 1 1 21 21 CYS CA C 21 61.968 61.968 64.619 -2.651 25872 309 1 2 . 1 1 21 21 CYS H H 21 8.311 8.311 8.467 -0.156 25872 310 1 2 . 1 1 22 22 LEU N N 22 122.447 122.447 120.896 1.551 25872 311 1 2 . 1 1 22 22 LEU HA H 22 4.077 4.077 3.894 0.183 25872 312 1 2 . 1 1 22 22 LEU C C 22 176.153 176.153 178.630 -2.477 25872 313 1 2 . 1 1 22 22 LEU CA C 22 55.797 55.797 57.908 -2.111 25872 314 1 2 . 1 1 22 22 LEU CB C 22 39.312 39.312 41.675 -2.363 25872 315 1 2 . 1 1 22 22 LEU H H 22 8.607 8.607 7.800 0.807 25872 316 1 2 . 1 1 23 23 PHE N N 23 122.153 122.153 120.298 1.855 25872 317 1 2 . 1 1 23 23 PHE HA H 23 4.041 4.041 4.074 -0.033 25872 318 1 2 . 1 1 23 23 PHE C C 23 173.959 173.959 177.482 -3.523 25872 319 1 2 . 1 1 23 23 PHE CA C 23 59.055 59.055 60.544 -1.490 25872 320 1 2 . 1 1 23 23 PHE CB C 23 36.704 36.704 38.669 -1.965 25872 321 1 2 . 1 1 23 23 PHE H H 23 8.998 8.998 7.832 1.166 25872 322 1 2 . 1 1 24 24 LEU N N 24 118.082 118.082 117.996 0.086 25872 323 1 2 . 1 1 24 24 LEU HA H 24 3.896 3.896 3.656 0.240 25872 324 1 2 . 1 1 24 24 LEU C C 24 175.915 175.915 178.943 -3.028 25872 325 1 2 . 1 1 24 24 LEU CA C 24 55.787 55.787 57.738 -1.951 25872 326 1 2 . 1 1 24 24 LEU CB C 24 39.488 39.488 41.526 -2.038 25872 327 1 2 . 1 1 24 24 LEU H H 24 8.653 8.653 8.087 0.566 25872 328 1 2 . 1 1 25 25 SER N N 25 113.414 113.414 115.688 -2.274 25872 329 1 2 . 1 1 25 25 SER HA H 25 4.080 4.080 4.240 -0.160 25872 330 1 2 . 1 1 25 25 SER C C 25 172.719 172.719 176.663 -3.944 25872 331 1 2 . 1 1 25 25 SER CA C 25 61.220 61.220 62.337 -1.117 25872 332 1 2 . 1 1 25 25 SER CB C 25 60.568 60.568 63.016 -2.448 25872 333 1 2 . 1 1 25 25 SER H H 25 8.172 8.172 7.971 0.201 25872 334 1 2 . 1 1 26 26 THR N N 26 117.783 117.783 120.039 -2.256 25872 335 1 2 . 1 1 26 26 THR HA H 26 3.787 3.787 4.038 -0.251 25872 336 1 2 . 1 1 26 26 THR C C 26 175.676 175.676 176.309 -0.633 25872 337 1 2 . 1 1 26 26 THR CA C 26 65.563 65.563 67.284 -1.721 25872 338 1 2 . 1 1 26 26 THR CB C 26 65.262 65.262 68.964 -3.702 25872 339 1 2 . 1 1 26 26 THR H H 26 7.845 7.845 8.307 -0.462 25872 340 1 2 . 1 1 27 27 LEU N N 27 121.022 121.022 121.937 -0.915 25872 341 1 2 . 1 1 27 27 LEU HA H 27 3.891 3.891 3.952 -0.061 25872 342 1 2 . 1 1 27 27 LEU C C 27 175.676 175.676 178.612 -2.936 25872 343 1 2 . 1 1 27 27 LEU CA C 27 55.991 55.991 58.165 -2.174 25872 344 1 2 . 1 1 27 27 LEU CB C 27 39.194 39.194 41.382 -2.188 25872 345 1 2 . 1 1 27 27 LEU H H 27 8.053 8.053 7.793 0.260 25872 346 1 2 . 1 1 28 28 LEU N N 28 117.328 117.328 118.793 -1.465 25872 347 1 2 . 1 1 28 28 LEU HA H 28 4.040 4.040 3.873 0.167 25872 348 1 2 . 1 1 28 28 LEU C C 28 176.439 176.439 179.135 -2.696 25872 349 1 2 . 1 1 28 28 LEU CA C 28 55.847 55.847 57.955 -2.108 25872 350 1 2 . 1 1 28 28 LEU CB C 28 39.186 39.186 41.621 -2.436 25872 351 1 2 . 1 1 28 28 LEU H H 28 8.206 8.206 7.599 0.607 25872 352 1 2 . 1 1 29 29 LEU N N 29 119.596 119.596 119.502 0.094 25872 353 1 2 . 1 1 29 29 LEU HA H 29 4.173 4.173 3.883 0.290 25872 354 1 2 . 1 1 29 29 LEU C C 29 176.773 176.773 179.037 -2.264 25872 355 1 2 . 1 1 29 29 LEU CA C 29 55.943 55.943 58.070 -2.127 25872 356 1 2 . 1 1 29 29 LEU CB C 29 39.593 39.593 41.607 -2.014 25872 357 1 2 . 1 1 29 29 LEU H H 29 8.121 8.121 7.639 0.482 25872 358 1 2 . 1 1 30 30 VAL N N 30 118.438 118.438 119.212 -0.774 25872 359 1 2 . 1 1 30 30 VAL HA H 30 3.743 3.743 3.581 0.162 25872 360 1 2 . 1 1 30 30 VAL C C 30 175.294 175.294 178.315 -3.021 25872 361 1 2 . 1 1 30 30 VAL CA C 30 64.164 64.164 66.424 -2.260 25872 362 1 2 . 1 1 30 30 VAL CB C 30 29.137 29.137 30.979 -1.842 25872 363 1 2 . 1 1 30 30 VAL H H 30 8.429 8.429 7.960 0.469 25872 364 1 2 . 1 1 31 31 LEU N N 31 119.064 119.064 119.888 -0.824 25872 365 1 2 . 1 1 31 31 LEU HA H 31 4.158 4.158 4.028 0.130 25872 366 1 2 . 1 1 31 31 LEU C C 31 176.058 176.058 179.587 -3.529 25872 367 1 2 . 1 1 31 31 LEU CA C 31 55.204 55.204 57.994 -2.790 25872 368 1 2 . 1 1 31 31 LEU CB C 31 39.340 39.340 41.564 -2.224 25872 369 1 2 . 1 1 31 31 LEU H H 31 8.552 8.552 8.337 0.215 25872 370 1 2 . 1 1 32 32 ASN HA H 32 4.632 4.632 4.449 0.183 25872 371 1 2 . 1 1 32 32 ASN H H 32 8.148 8.148 8.118 0.030 25872 372 1 2 . 1 1 33 33 LYS N N 33 118.261 118.261 119.337 -1.076 25872 373 1 2 . 1 1 33 33 LYS HA H 33 4.334 4.334 4.150 0.184 25872 374 1 2 . 1 1 33 33 LYS C C 33 174.722 174.722 175.956 -1.234 25872 375 1 2 . 1 1 33 33 LYS CA C 33 54.918 54.918 57.799 -2.881 25872 376 1 2 . 1 1 33 33 LYS CB C 33 30.315 30.315 33.438 -3.123 25872 377 1 2 . 1 1 33 33 LYS H H 33 8.074 8.074 7.978 0.096 25872 378 1 2 . 1 1 34 34 ALA N N 34 120.974 120.974 119.914 1.060 25872 379 1 2 . 1 1 34 34 ALA HA H 34 4.381 4.381 4.571 -0.190 25872 380 1 2 . 1 1 34 34 ALA C C 34 175.557 175.557 176.946 -1.389 25872 381 1 2 . 1 1 34 34 ALA CA C 34 50.859 50.859 51.766 -0.907 25872 382 1 2 . 1 1 34 34 ALA CB C 34 16.769 16.769 20.483 -3.714 25872 383 1 2 . 1 1 34 34 ALA H H 34 8.344 8.344 7.766 0.578 25872 384 1 2 . 1 1 35 35 GLY N N 35 105.444 105.444 110.268 -4.824 25872 385 1 2 . 1 1 35 35 GLY C C 35 171.431 171.431 174.803 -3.372 25872 386 1 2 . 1 1 35 35 GLY CA C 35 43.302 43.302 46.525 -3.223 25872 387 1 2 . 1 1 35 35 GLY H H 35 8.192 8.192 8.751 -0.559 25872 388 1 2 . 1 1 36 36 ARG N N 36 119.296 119.296 121.108 -1.812 25872 389 1 2 . 1 1 36 36 ARG HA H 36 4.474 4.474 4.459 0.015 25872 390 1 2 . 1 1 36 36 ARG C C 36 173.530 173.530 175.398 -1.868 25872 391 1 2 . 1 1 36 36 ARG CA C 36 53.566 53.566 55.183 -1.617 25872 392 1 2 . 1 1 36 36 ARG CB C 36 28.281 28.281 31.191 -2.910 25872 393 1 2 . 1 1 36 36 ARG H H 36 7.991 7.991 7.811 0.180 25872 394 1 2 . 1 1 37 37 ARG N N 37 120.950 120.950 123.928 -2.978 25872 395 1 2 . 1 1 37 37 ARG HA H 37 4.460 4.460 4.260 0.200 25872 396 1 2 . 1 1 37 37 ARG C C 37 173.411 173.411 175.706 -2.295 25872 397 1 2 . 1 1 37 37 ARG CA C 37 53.772 53.772 56.621 -2.849 25872 398 1 2 . 1 1 37 37 ARG CB C 37 28.416 28.416 30.347 -1.931 25872 399 1 2 . 1 1 37 37 ARG H H 37 8.320 8.320 8.483 -0.163 25872 400 1 2 . 1 1 38 38 ASN HA H 38 4.806 4.806 4.810 -0.004 25872 401 1 2 . 1 1 38 38 ASN C C 38 171.383 171.383 174.155 -2.772 25872 402 1 2 . 1 1 38 38 ASN CA C 38 51.070 51.070 52.671 -1.601 25872 403 1 3 . 1 1 2 2 LYS N N 2 123.102 123.102 121.365 1.737 25872 404 1 3 . 1 1 2 2 LYS H H 2 8.483 8.483 8.083 0.400 25872 405 1 3 . 1 1 3 3 LYS N N 3 123.206 123.206 122.342 0.864 25872 406 1 3 . 1 1 3 3 LYS HA H 3 4.364 4.364 4.236 0.128 25872 407 1 3 . 1 1 3 3 LYS C C 3 173.506 173.506 175.463 -1.957 25872 408 1 3 . 1 1 3 3 LYS CA C 3 54.569 54.569 56.278 -1.709 25872 409 1 3 . 1 1 3 3 LYS CB C 3 30.685 30.685 32.638 -1.952 25872 410 1 3 . 1 1 3 3 LYS H H 3 8.609 8.609 7.908 0.701 25872 411 1 3 . 1 1 4 4 ASP N N 4 120.271 120.271 122.018 -1.747 25872 412 1 3 . 1 1 4 4 ASP HA H 4 4.706 4.706 4.922 -0.216 25872 413 1 3 . 1 1 4 4 ASP C C 4 173.339 173.339 176.034 -2.695 25872 414 1 3 . 1 1 4 4 ASP CA C 4 52.055 52.055 53.715 -1.660 25872 415 1 3 . 1 1 4 4 ASP CB C 4 38.662 38.662 42.323 -3.661 25872 416 1 3 . 1 1 4 4 ASP H H 4 8.420 8.420 8.410 0.010 25872 417 1 3 . 1 1 5 5 GLU N N 5 120.404 120.404 120.866 -0.462 25872 418 1 3 . 1 1 5 5 GLU HA H 5 4.516 4.516 4.517 -0.001 25872 419 1 3 . 1 1 5 5 GLU C C 5 173.506 173.506 176.409 -2.903 25872 420 1 3 . 1 1 5 5 GLU CA C 5 53.808 53.808 57.007 -3.199 25872 421 1 3 . 1 1 5 5 GLU CB C 5 28.434 28.434 30.287 -1.853 25872 422 1 3 . 1 1 5 5 GLU H H 5 8.177 8.177 8.740 -0.563 25872 423 1 3 . 1 1 6 6 THR N N 6 117.433 117.433 117.859 -0.426 25872 424 1 3 . 1 1 6 6 THR HA H 6 4.649 4.649 4.592 0.057 25872 425 1 3 . 1 1 6 6 THR C C 6 170.644 170.644 172.627 -1.983 25872 426 1 3 . 1 1 6 6 THR CA C 6 57.823 57.823 60.552 -2.729 25872 427 1 3 . 1 1 6 6 THR CB C 6 67.184 67.184 69.852 -2.668 25872 428 1 3 . 1 1 6 6 THR H H 6 8.314 8.314 8.008 0.306 25872 429 1 3 . 1 1 7 7 PRO HA H 7 4.569 4.569 4.770 -0.201 25872 430 1 3 . 1 1 7 7 PRO C C 7 173.983 173.983 175.471 -1.488 25872 431 1 3 . 1 1 7 7 PRO CA C 7 60.843 60.843 62.659 -1.816 25872 432 1 3 . 1 1 7 7 PRO CB C 7 29.556 29.556 32.575 -3.018 25872 433 1 3 . 1 1 8 8 PHE N N 8 119.597 119.597 118.681 0.916 25872 434 1 3 . 1 1 8 8 PHE HA H 8 4.612 4.612 4.824 -0.212 25872 435 1 3 . 1 1 8 8 PHE C C 8 173.291 173.291 175.838 -2.547 25872 436 1 3 . 1 1 8 8 PHE CA C 8 56.320 56.320 58.829 -2.509 25872 437 1 3 . 1 1 8 8 PHE CB C 8 37.156 37.156 40.863 -3.707 25872 438 1 3 . 1 1 8 8 PHE H H 8 8.381 8.381 8.890 -0.509 25872 439 1 3 . 1 1 9 9 GLY N N 9 107.586 107.586 112.972 -5.386 25872 440 1 3 . 1 1 9 9 GLY C C 9 171.741 171.741 174.586 -2.845 25872 441 1 3 . 1 1 9 9 GLY CA C 9 43.719 43.719 44.876 -1.157 25872 442 1 3 . 1 1 9 9 GLY H H 9 8.557 8.557 8.558 -0.001 25872 443 1 3 . 1 1 10 10 VAL N N 10 118.248 118.248 122.102 -3.854 25872 444 1 3 . 1 1 10 10 VAL HA H 10 3.984 3.984 3.776 0.208 25872 445 1 3 . 1 1 10 10 VAL C C 10 173.124 173.124 177.766 -4.642 25872 446 1 3 . 1 1 10 10 VAL CA C 10 62.233 62.233 64.312 -2.079 25872 447 1 3 . 1 1 10 10 VAL CB C 10 30.351 30.351 31.731 -1.380 25872 448 1 3 . 1 1 10 10 VAL H H 10 7.970 7.970 8.211 -0.241 25872 449 1 3 . 1 1 11 11 SER N N 11 116.602 116.602 114.383 2.219 25872 450 1 3 . 1 1 11 11 SER HA H 11 4.339 4.339 4.161 0.178 25872 451 1 3 . 1 1 11 11 SER C C 11 172.929 172.929 176.476 -3.547 25872 452 1 3 . 1 1 11 11 SER CA C 11 58.493 58.493 61.404 -2.911 25872 453 1 3 . 1 1 11 11 SER CB C 11 60.928 60.928 62.506 -1.578 25872 454 1 3 . 1 1 11 11 SER H H 11 8.180 8.180 8.431 -0.251 25872 455 1 3 . 1 1 12 12 VAL N N 12 121.016 121.016 123.098 -2.082 25872 456 1 3 . 1 1 12 12 VAL HA H 12 3.728 3.728 3.667 0.061 25872 457 1 3 . 1 1 12 12 VAL C C 12 174.197 174.197 177.476 -3.279 25872 458 1 3 . 1 1 12 12 VAL CA C 12 63.881 63.881 66.069 -2.188 25872 459 1 3 . 1 1 12 12 VAL CB C 12 29.115 29.115 31.407 -2.292 25872 460 1 3 . 1 1 12 12 VAL H H 12 8.356 8.356 7.432 0.924 25872 461 1 3 . 1 1 13 13 ALA N N 13 121.087 121.087 121.474 -0.387 25872 462 1 3 . 1 1 13 13 ALA HA H 13 4.066 4.066 4.058 0.008 25872 463 1 3 . 1 1 13 13 ALA C C 13 176.105 176.105 180.030 -3.925 25872 464 1 3 . 1 1 13 13 ALA CA C 13 53.461 53.461 55.125 -1.664 25872 465 1 3 . 1 1 13 13 ALA CB C 13 16.246 16.246 18.119 -1.873 25872 466 1 3 . 1 1 13 13 ALA H H 13 8.162 8.162 7.473 0.689 25872 467 1 3 . 1 1 14 14 VAL N N 14 115.686 115.686 118.611 -2.925 25872 468 1 3 . 1 1 14 14 VAL HA H 14 3.669 3.669 3.579 0.090 25872 469 1 3 . 1 1 14 14 VAL C C 14 175.247 175.247 178.000 -2.753 25872 470 1 3 . 1 1 14 14 VAL CA C 14 64.315 64.315 67.114 -2.799 25872 471 1 3 . 1 1 14 14 VAL CB C 14 29.199 29.199 31.643 -2.444 25872 472 1 3 . 1 1 14 14 VAL H H 14 8.175 8.175 8.375 -0.200 25872 473 1 3 . 1 1 15 15 GLY N N 15 106.431 106.431 107.608 -1.177 25872 474 1 3 . 1 1 15 15 GLY C C 15 172.266 172.266 176.044 -3.778 25872 475 1 3 . 1 1 15 15 GLY CA C 15 45.494 45.494 47.233 -1.739 25872 476 1 3 . 1 1 15 15 GLY H H 15 8.465 8.465 8.070 0.395 25872 477 1 3 . 1 1 16 16 LEU N N 16 120.605 120.605 122.793 -2.188 25872 478 1 3 . 1 1 16 16 LEU HA H 16 4.222 4.222 3.876 0.346 25872 479 1 3 . 1 1 16 16 LEU C C 16 175.676 175.676 178.965 -3.289 25872 480 1 3 . 1 1 16 16 LEU CA C 16 55.691 55.691 57.818 -2.127 25872 481 1 3 . 1 1 16 16 LEU CB C 16 39.529 39.529 41.743 -2.214 25872 482 1 3 . 1 1 16 16 LEU H H 16 8.764 8.764 8.192 0.572 25872 483 1 3 . 1 1 17 17 ALA N N 17 121.535 121.535 121.419 0.116 25872 484 1 3 . 1 1 17 17 ALA HA H 17 4.127 4.127 3.954 0.173 25872 485 1 3 . 1 1 17 17 ALA C C 17 176.892 176.892 179.641 -2.749 25872 486 1 3 . 1 1 17 17 ALA CA C 17 53.317 53.317 55.271 -1.954 25872 487 1 3 . 1 1 17 17 ALA CB C 17 15.647 15.647 17.985 -2.338 25872 488 1 3 . 1 1 17 17 ALA H H 17 8.315 8.315 7.729 0.586 25872 489 1 3 . 1 1 18 18 VAL N N 18 118.055 118.055 118.955 -0.900 25872 490 1 3 . 1 1 18 18 VAL HA H 18 3.592 3.592 3.520 0.072 25872 491 1 3 . 1 1 18 18 VAL C C 18 175.271 175.271 178.035 -2.764 25872 492 1 3 . 1 1 18 18 VAL CA C 18 64.999 64.999 66.525 -1.526 25872 493 1 3 . 1 1 18 18 VAL CB C 18 28.838 28.838 31.610 -2.772 25872 494 1 3 . 1 1 18 18 VAL H H 18 8.687 8.687 7.803 0.884 25872 495 1 3 . 1 1 19 19 PHE N N 19 119.235 119.235 119.778 -0.543 25872 496 1 3 . 1 1 19 19 PHE HA H 19 4.167 4.167 4.027 0.140 25872 497 1 3 . 1 1 19 19 PHE C C 19 174.197 174.197 177.228 -3.031 25872 498 1 3 . 1 1 19 19 PHE CA C 19 59.852 59.852 62.152 -2.300 25872 499 1 3 . 1 1 19 19 PHE CB C 19 36.490 36.490 38.914 -2.424 25872 500 1 3 . 1 1 19 19 PHE H H 19 8.622 8.622 8.103 0.519 25872 501 1 3 . 1 1 20 20 ALA N N 20 120.852 120.852 121.674 -0.822 25872 502 1 3 . 1 1 20 20 ALA HA H 20 3.936 3.936 4.136 -0.200 25872 503 1 3 . 1 1 20 20 ALA C C 20 176.558 176.558 179.441 -2.883 25872 504 1 3 . 1 1 20 20 ALA CA C 20 53.352 53.352 55.408 -2.056 25872 505 1 3 . 1 1 20 20 ALA CB C 20 15.324 15.324 17.997 -2.673 25872 506 1 3 . 1 1 20 20 ALA H H 20 9.059 9.059 8.519 0.540 25872 507 1 3 . 1 1 21 21 CYS N N 21 115.298 115.298 117.936 -2.638 25872 508 1 3 . 1 1 21 21 CYS HA H 21 4.141 4.141 4.089 0.052 25872 509 1 3 . 1 1 21 21 CYS CA C 21 61.968 61.968 64.597 -2.629 25872 510 1 3 . 1 1 21 21 CYS H H 21 8.311 8.311 8.478 -0.167 25872 511 1 3 . 1 1 22 22 LEU N N 22 122.447 122.447 120.732 1.715 25872 512 1 3 . 1 1 22 22 LEU HA H 22 4.077 4.077 3.901 0.176 25872 513 1 3 . 1 1 22 22 LEU C C 22 176.153 176.153 178.618 -2.465 25872 514 1 3 . 1 1 22 22 LEU CA C 22 55.797 55.797 58.111 -2.314 25872 515 1 3 . 1 1 22 22 LEU CB C 22 39.312 39.312 41.735 -2.423 25872 516 1 3 . 1 1 22 22 LEU H H 22 8.607 8.607 7.785 0.822 25872 517 1 3 . 1 1 23 23 PHE N N 23 122.153 122.153 120.289 1.864 25872 518 1 3 . 1 1 23 23 PHE HA H 23 4.041 4.041 4.082 -0.041 25872 519 1 3 . 1 1 23 23 PHE C C 23 173.959 173.959 177.449 -3.490 25872 520 1 3 . 1 1 23 23 PHE CA C 23 59.055 59.055 60.521 -1.466 25872 521 1 3 . 1 1 23 23 PHE CB C 23 36.704 36.704 38.690 -1.986 25872 522 1 3 . 1 1 23 23 PHE H H 23 8.998 8.998 7.843 1.155 25872 523 1 3 . 1 1 24 24 LEU N N 24 118.082 118.082 117.973 0.109 25872 524 1 3 . 1 1 24 24 LEU HA H 24 3.896 3.896 3.669 0.227 25872 525 1 3 . 1 1 24 24 LEU C C 24 175.915 175.915 178.965 -3.050 25872 526 1 3 . 1 1 24 24 LEU CA C 24 55.787 55.787 57.719 -1.933 25872 527 1 3 . 1 1 24 24 LEU CB C 24 39.488 39.488 41.535 -2.047 25872 528 1 3 . 1 1 24 24 LEU H H 24 8.653 8.653 8.110 0.543 25872 529 1 3 . 1 1 25 25 SER N N 25 113.414 113.414 115.962 -2.548 25872 530 1 3 . 1 1 25 25 SER HA H 25 4.080 4.080 4.271 -0.191 25872 531 1 3 . 1 1 25 25 SER C C 25 172.719 172.719 176.588 -3.869 25872 532 1 3 . 1 1 25 25 SER CA C 25 61.220 61.220 62.370 -1.150 25872 533 1 3 . 1 1 25 25 SER CB C 25 60.568 60.568 62.947 -2.379 25872 534 1 3 . 1 1 25 25 SER H H 25 8.172 8.172 7.967 0.205 25872 535 1 3 . 1 1 26 26 THR N N 26 117.783 117.783 120.335 -2.552 25872 536 1 3 . 1 1 26 26 THR HA H 26 3.787 3.787 4.041 -0.254 25872 537 1 3 . 1 1 26 26 THR C C 26 175.676 175.676 176.234 -0.558 25872 538 1 3 . 1 1 26 26 THR CA C 26 65.563 65.563 67.278 -1.715 25872 539 1 3 . 1 1 26 26 THR CB C 26 65.262 65.262 68.889 -3.627 25872 540 1 3 . 1 1 26 26 THR H H 26 7.845 7.845 8.301 -0.456 25872 541 1 3 . 1 1 27 27 LEU N N 27 121.022 121.022 121.814 -0.792 25872 542 1 3 . 1 1 27 27 LEU HA H 27 3.891 3.891 3.948 -0.057 25872 543 1 3 . 1 1 27 27 LEU C C 27 175.676 175.676 178.414 -2.738 25872 544 1 3 . 1 1 27 27 LEU CA C 27 55.991 55.991 58.347 -2.356 25872 545 1 3 . 1 1 27 27 LEU CB C 27 39.194 39.194 41.341 -2.147 25872 546 1 3 . 1 1 27 27 LEU H H 27 8.053 8.053 7.767 0.286 25872 547 1 3 . 1 1 28 28 LEU N N 28 117.328 117.328 118.487 -1.159 25872 548 1 3 . 1 1 28 28 LEU HA H 28 4.040 4.040 3.883 0.157 25872 549 1 3 . 1 1 28 28 LEU C C 28 176.439 176.439 179.284 -2.845 25872 550 1 3 . 1 1 28 28 LEU CA C 28 55.847 55.847 57.706 -1.859 25872 551 1 3 . 1 1 28 28 LEU CB C 28 39.186 39.186 41.557 -2.371 25872 552 1 3 . 1 1 28 28 LEU H H 28 8.206 8.206 7.587 0.619 25872 553 1 3 . 1 1 29 29 LEU N N 29 119.596 119.596 119.526 0.070 25872 554 1 3 . 1 1 29 29 LEU HA H 29 4.173 4.173 3.883 0.290 25872 555 1 3 . 1 1 29 29 LEU C C 29 176.773 176.773 179.006 -2.233 25872 556 1 3 . 1 1 29 29 LEU CA C 29 55.943 55.943 58.025 -2.082 25872 557 1 3 . 1 1 29 29 LEU CB C 29 39.593 39.593 41.653 -2.060 25872 558 1 3 . 1 1 29 29 LEU H H 29 8.121 8.121 7.605 0.516 25872 559 1 3 . 1 1 30 30 VAL N N 30 118.438 118.438 119.050 -0.612 25872 560 1 3 . 1 1 30 30 VAL HA H 30 3.743 3.743 3.584 0.159 25872 561 1 3 . 1 1 30 30 VAL C C 30 175.294 175.294 178.418 -3.124 25872 562 1 3 . 1 1 30 30 VAL CA C 30 64.164 64.164 66.517 -2.353 25872 563 1 3 . 1 1 30 30 VAL CB C 30 29.137 29.137 30.983 -1.846 25872 564 1 3 . 1 1 30 30 VAL H H 30 8.429 8.429 8.036 0.393 25872 565 1 3 . 1 1 31 31 LEU N N 31 119.064 119.064 119.707 -0.643 25872 566 1 3 . 1 1 31 31 LEU HA H 31 4.158 4.158 3.870 0.288 25872 567 1 3 . 1 1 31 31 LEU C C 31 176.058 176.058 178.735 -2.677 25872 568 1 3 . 1 1 31 31 LEU CA C 31 55.204 55.204 57.968 -2.764 25872 569 1 3 . 1 1 31 31 LEU CB C 31 39.340 39.340 41.312 -1.972 25872 570 1 3 . 1 1 31 31 LEU H H 31 8.552 8.552 8.160 0.392 25872 571 1 3 . 1 1 32 32 ASN HA H 32 4.632 4.632 4.567 0.065 25872 572 1 3 . 1 1 32 32 ASN H H 32 8.148 8.148 7.812 0.336 25872 573 1 3 . 1 1 33 33 LYS N N 33 118.261 118.261 119.379 -1.118 25872 574 1 3 . 1 1 33 33 LYS HA H 33 4.334 4.334 4.192 0.142 25872 575 1 3 . 1 1 33 33 LYS C C 33 174.722 174.722 176.593 -1.871 25872 576 1 3 . 1 1 33 33 LYS CA C 33 54.918 54.918 57.008 -2.090 25872 577 1 3 . 1 1 33 33 LYS CB C 33 30.315 30.315 33.211 -2.896 25872 578 1 3 . 1 1 33 33 LYS H H 33 8.074 8.074 7.728 0.346 25872 579 1 3 . 1 1 34 34 ALA N N 34 120.974 120.974 119.500 1.474 25872 580 1 3 . 1 1 34 34 ALA HA H 34 4.381 4.381 4.070 0.311 25872 581 1 3 . 1 1 34 34 ALA C C 34 175.557 175.557 176.775 -1.218 25872 582 1 3 . 1 1 34 34 ALA CA C 34 50.859 50.859 52.910 -2.051 25872 583 1 3 . 1 1 34 34 ALA CB C 34 16.769 16.769 17.223 -0.454 25872 584 1 3 . 1 1 34 34 ALA H H 34 8.344 8.344 8.223 0.121 25872 585 1 3 . 1 1 35 35 GLY N N 35 105.444 105.444 107.183 -1.739 25872 586 1 3 . 1 1 35 35 GLY C C 35 171.431 171.431 172.599 -1.168 25872 587 1 3 . 1 1 35 35 GLY CA C 35 43.302 43.302 45.396 -2.094 25872 588 1 3 . 1 1 35 35 GLY H H 35 8.192 8.192 8.006 0.186 25872 589 1 3 . 1 1 36 36 ARG N N 36 119.296 119.296 121.163 -1.867 25872 590 1 3 . 1 1 36 36 ARG HA H 36 4.474 4.474 4.630 -0.156 25872 591 1 3 . 1 1 36 36 ARG C C 36 173.530 173.530 176.082 -2.552 25872 592 1 3 . 1 1 36 36 ARG CA C 36 53.566 53.566 55.264 -1.698 25872 593 1 3 . 1 1 36 36 ARG CB C 36 28.281 28.281 31.285 -3.004 25872 594 1 3 . 1 1 36 36 ARG H H 36 7.991 7.991 8.291 -0.300 25872 595 1 3 . 1 1 37 37 ARG N N 37 120.950 120.950 122.246 -1.296 25872 596 1 3 . 1 1 37 37 ARG HA H 37 4.460 4.460 4.297 0.163 25872 597 1 3 . 1 1 37 37 ARG C C 37 173.411 173.411 175.366 -1.955 25872 598 1 3 . 1 1 37 37 ARG CA C 37 53.772 53.772 56.046 -2.274 25872 599 1 3 . 1 1 37 37 ARG CB C 37 28.416 28.416 31.096 -2.679 25872 600 1 3 . 1 1 37 37 ARG H H 37 8.320 8.320 8.530 -0.210 25872 601 1 3 . 1 1 38 38 ASN HA H 38 4.806 4.806 4.810 -0.004 25872 602 1 3 . 1 1 38 38 ASN C C 38 171.383 171.383 174.747 -3.364 25872 603 1 3 . 1 1 38 38 ASN CA C 38 51.070 51.070 52.432 -1.362 25872 604 1 4 . 1 1 2 2 LYS N N 2 123.102 123.102 124.356 -1.254 25872 605 1 4 . 1 1 2 2 LYS H H 2 8.483 8.483 8.517 -0.034 25872 606 1 4 . 1 1 3 3 LYS N N 3 123.206 123.206 123.228 -0.022 25872 607 1 4 . 1 1 3 3 LYS HA H 3 4.364 4.364 4.336 0.028 25872 608 1 4 . 1 1 3 3 LYS C C 3 173.506 173.506 175.900 -2.394 25872 609 1 4 . 1 1 3 3 LYS CA C 3 54.569 54.569 56.464 -1.895 25872 610 1 4 . 1 1 3 3 LYS CB C 3 30.685 30.685 32.788 -2.103 25872 611 1 4 . 1 1 3 3 LYS H H 3 8.609 8.609 8.653 -0.044 25872 612 1 4 . 1 1 4 4 ASP N N 4 120.271 120.271 120.023 0.248 25872 613 1 4 . 1 1 4 4 ASP HA H 4 4.706 4.706 4.576 0.130 25872 614 1 4 . 1 1 4 4 ASP C C 4 173.339 173.339 176.027 -2.688 25872 615 1 4 . 1 1 4 4 ASP CA C 4 52.055 52.055 53.939 -1.884 25872 616 1 4 . 1 1 4 4 ASP CB C 4 38.662 38.662 41.426 -2.764 25872 617 1 4 . 1 1 4 4 ASP H H 4 8.420 8.420 8.023 0.397 25872 618 1 4 . 1 1 5 5 GLU N N 5 120.404 120.404 122.187 -1.783 25872 619 1 4 . 1 1 5 5 GLU HA H 5 4.516 4.516 4.344 0.172 25872 620 1 4 . 1 1 5 5 GLU C C 5 173.506 173.506 176.464 -2.958 25872 621 1 4 . 1 1 5 5 GLU CA C 5 53.808 53.808 57.210 -3.402 25872 622 1 4 . 1 1 5 5 GLU CB C 5 28.434 28.434 30.185 -1.751 25872 623 1 4 . 1 1 5 5 GLU H H 5 8.177 8.177 8.786 -0.609 25872 624 1 4 . 1 1 6 6 THR N N 6 117.433 117.433 116.627 0.806 25872 625 1 4 . 1 1 6 6 THR HA H 6 4.649 4.649 4.467 0.182 25872 626 1 4 . 1 1 6 6 THR C C 6 170.644 170.644 172.191 -1.547 25872 627 1 4 . 1 1 6 6 THR CA C 6 57.823 57.823 59.744 -1.921 25872 628 1 4 . 1 1 6 6 THR CB C 6 67.184 67.184 69.823 -2.639 25872 629 1 4 . 1 1 6 6 THR H H 6 8.314 8.314 7.830 0.484 25872 630 1 4 . 1 1 7 7 PRO HA H 7 4.569 4.569 4.564 0.005 25872 631 1 4 . 1 1 7 7 PRO C C 7 173.983 173.983 176.113 -2.130 25872 632 1 4 . 1 1 7 7 PRO CA C 7 60.843 60.843 62.565 -1.722 25872 633 1 4 . 1 1 7 7 PRO CB C 7 29.556 29.556 32.715 -3.159 25872 634 1 4 . 1 1 8 8 PHE N N 8 119.597 119.597 119.220 0.377 25872 635 1 4 . 1 1 8 8 PHE HA H 8 4.612 4.612 4.550 0.062 25872 636 1 4 . 1 1 8 8 PHE C C 8 173.291 173.291 177.601 -4.310 25872 637 1 4 . 1 1 8 8 PHE CA C 8 56.320 56.320 58.701 -2.381 25872 638 1 4 . 1 1 8 8 PHE CB C 8 37.156 37.156 39.124 -1.968 25872 639 1 4 . 1 1 8 8 PHE H H 8 8.381 8.381 8.511 -0.130 25872 640 1 4 . 1 1 9 9 GLY N N 9 107.586 107.586 109.668 -2.082 25872 641 1 4 . 1 1 9 9 GLY C C 9 171.741 171.741 174.594 -2.853 25872 642 1 4 . 1 1 9 9 GLY CA C 9 43.719 43.719 44.338 -0.619 25872 643 1 4 . 1 1 9 9 GLY H H 9 8.557 8.557 8.713 -0.156 25872 644 1 4 . 1 1 10 10 VAL N N 10 118.248 118.248 123.559 -5.311 25872 645 1 4 . 1 1 10 10 VAL HA H 10 3.984 3.984 3.713 0.271 25872 646 1 4 . 1 1 10 10 VAL C C 10 173.124 173.124 177.390 -4.266 25872 647 1 4 . 1 1 10 10 VAL CA C 10 62.233 62.233 65.356 -3.123 25872 648 1 4 . 1 1 10 10 VAL CB C 10 30.351 30.351 31.610 -1.259 25872 649 1 4 . 1 1 10 10 VAL H H 10 7.970 7.970 7.490 0.480 25872 650 1 4 . 1 1 11 11 SER N N 11 116.602 116.602 115.439 1.163 25872 651 1 4 . 1 1 11 11 SER HA H 11 4.339 4.339 4.200 0.139 25872 652 1 4 . 1 1 11 11 SER C C 11 172.929 172.929 176.552 -3.623 25872 653 1 4 . 1 1 11 11 SER CA C 11 58.493 58.493 61.670 -3.177 25872 654 1 4 . 1 1 11 11 SER CB C 11 60.928 60.928 62.959 -2.031 25872 655 1 4 . 1 1 11 11 SER H H 11 8.180 8.180 8.722 -0.542 25872 656 1 4 . 1 1 12 12 VAL N N 12 121.016 121.016 121.390 -0.374 25872 657 1 4 . 1 1 12 12 VAL HA H 12 3.728 3.728 3.794 -0.066 25872 658 1 4 . 1 1 12 12 VAL C C 12 174.197 174.197 177.765 -3.568 25872 659 1 4 . 1 1 12 12 VAL CA C 12 63.881 63.881 65.132 -1.251 25872 660 1 4 . 1 1 12 12 VAL CB C 12 29.115 29.115 31.122 -2.007 25872 661 1 4 . 1 1 12 12 VAL H H 12 8.356 8.356 7.800 0.556 25872 662 1 4 . 1 1 13 13 ALA N N 13 121.087 121.087 122.309 -1.222 25872 663 1 4 . 1 1 13 13 ALA HA H 13 4.066 4.066 4.049 0.017 25872 664 1 4 . 1 1 13 13 ALA C C 13 176.105 176.105 180.070 -3.965 25872 665 1 4 . 1 1 13 13 ALA CA C 13 53.461 53.461 55.336 -1.875 25872 666 1 4 . 1 1 13 13 ALA CB C 13 16.246 16.246 18.285 -2.039 25872 667 1 4 . 1 1 13 13 ALA H H 13 8.162 8.162 7.794 0.368 25872 668 1 4 . 1 1 14 14 VAL N N 14 115.686 115.686 118.797 -3.111 25872 669 1 4 . 1 1 14 14 VAL HA H 14 3.669 3.669 3.666 0.003 25872 670 1 4 . 1 1 14 14 VAL C C 14 175.247 175.247 178.170 -2.923 25872 671 1 4 . 1 1 14 14 VAL CA C 14 64.315 64.315 66.334 -2.019 25872 672 1 4 . 1 1 14 14 VAL CB C 14 29.199 29.199 31.272 -2.073 25872 673 1 4 . 1 1 14 14 VAL H H 14 8.175 8.175 8.340 -0.165 25872 674 1 4 . 1 1 15 15 GLY N N 15 106.431 106.431 107.488 -1.057 25872 675 1 4 . 1 1 15 15 GLY C C 15 172.266 172.266 176.224 -3.958 25872 676 1 4 . 1 1 15 15 GLY CA C 15 45.494 45.494 47.287 -1.793 25872 677 1 4 . 1 1 15 15 GLY H H 15 8.465 8.465 7.973 0.492 25872 678 1 4 . 1 1 16 16 LEU N N 16 120.605 120.605 122.805 -2.200 25872 679 1 4 . 1 1 16 16 LEU HA H 16 4.222 4.222 3.873 0.349 25872 680 1 4 . 1 1 16 16 LEU C C 16 175.676 175.676 178.959 -3.283 25872 681 1 4 . 1 1 16 16 LEU CA C 16 55.691 55.691 57.806 -2.115 25872 682 1 4 . 1 1 16 16 LEU CB C 16 39.529 39.529 41.746 -2.217 25872 683 1 4 . 1 1 16 16 LEU H H 16 8.764 8.764 8.216 0.548 25872 684 1 4 . 1 1 17 17 ALA N N 17 121.535 121.535 121.676 -0.141 25872 685 1 4 . 1 1 17 17 ALA HA H 17 4.127 4.127 3.960 0.167 25872 686 1 4 . 1 1 17 17 ALA C C 17 176.892 176.892 179.653 -2.761 25872 687 1 4 . 1 1 17 17 ALA CA C 17 53.317 53.317 55.389 -2.072 25872 688 1 4 . 1 1 17 17 ALA CB C 17 15.647 15.647 18.027 -2.380 25872 689 1 4 . 1 1 17 17 ALA H H 17 8.315 8.315 7.807 0.508 25872 690 1 4 . 1 1 18 18 VAL N N 18 118.055 118.055 118.971 -0.916 25872 691 1 4 . 1 1 18 18 VAL HA H 18 3.592 3.592 3.656 -0.064 25872 692 1 4 . 1 1 18 18 VAL C C 18 175.271 175.271 178.128 -2.857 25872 693 1 4 . 1 1 18 18 VAL CA C 18 64.999 64.999 65.640 -0.641 25872 694 1 4 . 1 1 18 18 VAL CB C 18 28.838 28.838 30.919 -2.082 25872 695 1 4 . 1 1 18 18 VAL H H 18 8.687 8.687 7.858 0.829 25872 696 1 4 . 1 1 19 19 PHE N N 19 119.235 119.235 120.180 -0.945 25872 697 1 4 . 1 1 19 19 PHE HA H 19 4.167 4.167 4.019 0.148 25872 698 1 4 . 1 1 19 19 PHE C C 19 174.197 174.197 177.153 -2.956 25872 699 1 4 . 1 1 19 19 PHE CA C 19 59.852 59.852 62.299 -2.447 25872 700 1 4 . 1 1 19 19 PHE CB C 19 36.490 36.490 38.811 -2.321 25872 701 1 4 . 1 1 19 19 PHE H H 19 8.622 8.622 8.124 0.498 25872 702 1 4 . 1 1 20 20 ALA N N 20 120.852 120.852 121.676 -0.824 25872 703 1 4 . 1 1 20 20 ALA HA H 20 3.936 3.936 4.134 -0.198 25872 704 1 4 . 1 1 20 20 ALA C C 20 176.558 176.558 179.451 -2.893 25872 705 1 4 . 1 1 20 20 ALA CA C 20 53.352 53.352 55.404 -2.052 25872 706 1 4 . 1 1 20 20 ALA CB C 20 15.324 15.324 17.999 -2.675 25872 707 1 4 . 1 1 20 20 ALA H H 20 9.059 9.059 8.532 0.527 25872 708 1 4 . 1 1 21 21 CYS N N 21 115.298 115.298 118.020 -2.722 25872 709 1 4 . 1 1 21 21 CYS HA H 21 4.141 4.141 4.095 0.046 25872 710 1 4 . 1 1 21 21 CYS CA C 21 61.968 61.968 64.592 -2.624 25872 711 1 4 . 1 1 21 21 CYS H H 21 8.311 8.311 8.476 -0.165 25872 712 1 4 . 1 1 22 22 LEU N N 22 122.447 122.447 120.821 1.626 25872 713 1 4 . 1 1 22 22 LEU HA H 22 4.077 4.077 3.904 0.173 25872 714 1 4 . 1 1 22 22 LEU C C 22 176.153 176.153 178.665 -2.512 25872 715 1 4 . 1 1 22 22 LEU CA C 22 55.797 55.797 57.916 -2.119 25872 716 1 4 . 1 1 22 22 LEU CB C 22 39.312 39.312 41.683 -2.371 25872 717 1 4 . 1 1 22 22 LEU H H 22 8.607 8.607 7.796 0.811 25872 718 1 4 . 1 1 23 23 PHE N N 23 122.153 122.153 120.335 1.818 25872 719 1 4 . 1 1 23 23 PHE HA H 23 4.041 4.041 4.081 -0.040 25872 720 1 4 . 1 1 23 23 PHE C C 23 173.959 173.959 177.485 -3.526 25872 721 1 4 . 1 1 23 23 PHE CA C 23 59.055 59.055 60.537 -1.482 25872 722 1 4 . 1 1 23 23 PHE CB C 23 36.704 36.704 38.679 -1.975 25872 723 1 4 . 1 1 23 23 PHE H H 23 8.998 8.998 7.915 1.083 25872 724 1 4 . 1 1 24 24 LEU N N 24 118.082 118.082 117.972 0.110 25872 725 1 4 . 1 1 24 24 LEU HA H 24 3.896 3.896 3.664 0.232 25872 726 1 4 . 1 1 24 24 LEU C C 24 175.915 175.915 178.953 -3.038 25872 727 1 4 . 1 1 24 24 LEU CA C 24 55.787 55.787 57.706 -1.919 25872 728 1 4 . 1 1 24 24 LEU CB C 24 39.488 39.488 41.520 -2.032 25872 729 1 4 . 1 1 24 24 LEU H H 24 8.653 8.653 8.090 0.563 25872 730 1 4 . 1 1 25 25 SER N N 25 113.414 113.414 115.671 -2.257 25872 731 1 4 . 1 1 25 25 SER HA H 25 4.080 4.080 4.251 -0.171 25872 732 1 4 . 1 1 25 25 SER C C 25 172.719 172.719 176.671 -3.952 25872 733 1 4 . 1 1 25 25 SER CA C 25 61.220 61.220 62.306 -1.086 25872 734 1 4 . 1 1 25 25 SER CB C 25 60.568 60.568 62.981 -2.413 25872 735 1 4 . 1 1 25 25 SER H H 25 8.172 8.172 7.974 0.198 25872 736 1 4 . 1 1 26 26 THR N N 26 117.783 117.783 120.034 -2.251 25872 737 1 4 . 1 1 26 26 THR HA H 26 3.787 3.787 4.049 -0.262 25872 738 1 4 . 1 1 26 26 THR C C 26 175.676 175.676 176.311 -0.635 25872 739 1 4 . 1 1 26 26 THR CA C 26 65.563 65.563 67.267 -1.704 25872 740 1 4 . 1 1 26 26 THR CB C 26 65.262 65.262 68.974 -3.712 25872 741 1 4 . 1 1 26 26 THR H H 26 7.845 7.845 8.303 -0.458 25872 742 1 4 . 1 1 27 27 LEU N N 27 121.022 121.022 121.980 -0.958 25872 743 1 4 . 1 1 27 27 LEU HA H 27 3.891 3.891 3.962 -0.071 25872 744 1 4 . 1 1 27 27 LEU C C 27 175.676 175.676 178.620 -2.944 25872 745 1 4 . 1 1 27 27 LEU CA C 27 55.991 55.991 58.245 -2.254 25872 746 1 4 . 1 1 27 27 LEU CB C 27 39.194 39.194 41.386 -2.192 25872 747 1 4 . 1 1 27 27 LEU H H 27 8.053 8.053 7.786 0.267 25872 748 1 4 . 1 1 28 28 LEU N N 28 117.328 117.328 118.581 -1.253 25872 749 1 4 . 1 1 28 28 LEU HA H 28 4.040 4.040 3.880 0.160 25872 750 1 4 . 1 1 28 28 LEU C C 28 176.439 176.439 179.274 -2.835 25872 751 1 4 . 1 1 28 28 LEU CA C 28 55.847 55.847 57.738 -1.891 25872 752 1 4 . 1 1 28 28 LEU CB C 28 39.186 39.186 41.577 -2.391 25872 753 1 4 . 1 1 28 28 LEU H H 28 8.206 8.206 7.594 0.612 25872 754 1 4 . 1 1 29 29 LEU N N 29 119.596 119.596 119.398 0.198 25872 755 1 4 . 1 1 29 29 LEU HA H 29 4.173 4.173 3.883 0.290 25872 756 1 4 . 1 1 29 29 LEU C C 29 176.773 176.773 179.074 -2.301 25872 757 1 4 . 1 1 29 29 LEU CA C 29 55.943 55.943 57.982 -2.039 25872 758 1 4 . 1 1 29 29 LEU CB C 29 39.593 39.593 41.653 -2.060 25872 759 1 4 . 1 1 29 29 LEU H H 29 8.121 8.121 7.615 0.506 25872 760 1 4 . 1 1 30 30 VAL N N 30 118.438 118.438 119.134 -0.696 25872 761 1 4 . 1 1 30 30 VAL HA H 30 3.743 3.743 3.589 0.154 25872 762 1 4 . 1 1 30 30 VAL C C 30 175.294 175.294 178.294 -3.000 25872 763 1 4 . 1 1 30 30 VAL CA C 30 64.164 64.164 66.402 -2.238 25872 764 1 4 . 1 1 30 30 VAL CB C 30 29.137 29.137 31.055 -1.918 25872 765 1 4 . 1 1 30 30 VAL H H 30 8.429 8.429 7.958 0.471 25872 766 1 4 . 1 1 31 31 LEU N N 31 119.064 119.064 119.498 -0.434 25872 767 1 4 . 1 1 31 31 LEU HA H 31 4.158 4.158 3.859 0.299 25872 768 1 4 . 1 1 31 31 LEU C C 31 176.058 176.058 179.188 -3.130 25872 769 1 4 . 1 1 31 31 LEU CA C 31 55.204 55.204 58.015 -2.811 25872 770 1 4 . 1 1 31 31 LEU CB C 31 39.340 39.340 41.303 -1.963 25872 771 1 4 . 1 1 31 31 LEU H H 31 8.552 8.552 8.243 0.309 25872 772 1 4 . 1 1 32 32 ASN HA H 32 4.632 4.632 4.568 0.064 25872 773 1 4 . 1 1 32 32 ASN H H 32 8.148 8.148 7.854 0.294 25872 774 1 4 . 1 1 33 33 LYS N N 33 118.261 118.261 118.486 -0.225 25872 775 1 4 . 1 1 33 33 LYS HA H 33 4.334 4.334 4.211 0.123 25872 776 1 4 . 1 1 33 33 LYS C C 33 174.722 174.722 176.320 -1.598 25872 777 1 4 . 1 1 33 33 LYS CA C 33 54.918 54.918 57.221 -2.303 25872 778 1 4 . 1 1 33 33 LYS CB C 33 30.315 30.315 33.132 -2.817 25872 779 1 4 . 1 1 33 33 LYS H H 33 8.074 8.074 7.664 0.410 25872 780 1 4 . 1 1 34 34 ALA N N 34 120.974 120.974 120.102 0.872 25872 781 1 4 . 1 1 34 34 ALA HA H 34 4.381 4.381 4.066 0.315 25872 782 1 4 . 1 1 34 34 ALA C C 34 175.557 175.557 177.633 -2.076 25872 783 1 4 . 1 1 34 34 ALA CA C 34 50.859 50.859 52.400 -1.541 25872 784 1 4 . 1 1 34 34 ALA CB C 34 16.769 16.769 17.136 -0.367 25872 785 1 4 . 1 1 34 34 ALA H H 34 8.344 8.344 7.846 0.498 25872 786 1 4 . 1 1 35 35 GLY N N 35 105.444 105.444 106.245 -0.801 25872 787 1 4 . 1 1 35 35 GLY C C 35 171.431 171.431 173.429 -1.998 25872 788 1 4 . 1 1 35 35 GLY CA C 35 43.302 43.302 44.788 -1.486 25872 789 1 4 . 1 1 35 35 GLY H H 35 8.192 8.192 8.115 0.077 25872 790 1 4 . 1 1 36 36 ARG N N 36 119.296 119.296 122.354 -3.058 25872 791 1 4 . 1 1 36 36 ARG HA H 36 4.474 4.474 4.399 0.075 25872 792 1 4 . 1 1 36 36 ARG C C 36 173.530 173.530 176.454 -2.924 25872 793 1 4 . 1 1 36 36 ARG CA C 36 53.566 53.566 55.615 -2.049 25872 794 1 4 . 1 1 36 36 ARG CB C 36 28.281 28.281 31.057 -2.776 25872 795 1 4 . 1 1 36 36 ARG H H 36 7.991 7.991 8.420 -0.429 25872 796 1 4 . 1 1 37 37 ARG N N 37 120.950 120.950 122.672 -1.722 25872 797 1 4 . 1 1 37 37 ARG HA H 37 4.460 4.460 4.479 -0.019 25872 798 1 4 . 1 1 37 37 ARG C C 37 173.411 173.411 175.860 -2.449 25872 799 1 4 . 1 1 37 37 ARG CA C 37 53.772 53.772 56.000 -2.228 25872 800 1 4 . 1 1 37 37 ARG CB C 37 28.416 28.416 30.869 -2.453 25872 801 1 4 . 1 1 37 37 ARG H H 37 8.320 8.320 8.521 -0.201 25872 802 1 4 . 1 1 38 38 ASN HA H 38 4.806 4.806 4.693 0.113 25872 803 1 4 . 1 1 38 38 ASN C C 38 171.383 171.383 174.911 -3.528 25872 804 1 4 . 1 1 38 38 ASN CA C 38 51.070 51.070 53.766 -2.696 25872 805 1 5 . 1 1 2 2 LYS N N 2 123.102 123.102 122.752 0.350 25872 806 1 5 . 1 1 2 2 LYS H H 2 8.483 8.483 8.026 0.457 25872 807 1 5 . 1 1 3 3 LYS N N 3 123.206 123.206 124.789 -1.583 25872 808 1 5 . 1 1 3 3 LYS HA H 3 4.364 4.364 4.379 -0.015 25872 809 1 5 . 1 1 3 3 LYS C C 3 173.506 173.506 175.987 -2.481 25872 810 1 5 . 1 1 3 3 LYS CA C 3 54.569 54.569 56.672 -2.103 25872 811 1 5 . 1 1 3 3 LYS CB C 3 30.685 30.685 32.354 -1.669 25872 812 1 5 . 1 1 3 3 LYS H H 3 8.609 8.609 8.507 0.102 25872 813 1 5 . 1 1 4 4 ASP N N 4 120.271 120.271 123.318 -3.047 25872 814 1 5 . 1 1 4 4 ASP HA H 4 4.706 4.706 4.805 -0.099 25872 815 1 5 . 1 1 4 4 ASP C C 4 173.339 173.339 174.810 -1.471 25872 816 1 5 . 1 1 4 4 ASP CA C 4 52.055 52.055 53.728 -1.673 25872 817 1 5 . 1 1 4 4 ASP CB C 4 38.662 38.662 42.661 -3.999 25872 818 1 5 . 1 1 4 4 ASP H H 4 8.420 8.420 8.338 0.082 25872 819 1 5 . 1 1 5 5 GLU N N 5 120.404 120.404 118.426 1.978 25872 820 1 5 . 1 1 5 5 GLU HA H 5 4.516 4.516 4.557 -0.041 25872 821 1 5 . 1 1 5 5 GLU C C 5 173.506 173.506 175.339 -1.833 25872 822 1 5 . 1 1 5 5 GLU CA C 5 53.808 53.808 56.298 -2.490 25872 823 1 5 . 1 1 5 5 GLU CB C 5 28.434 28.434 29.632 -1.198 25872 824 1 5 . 1 1 5 5 GLU H H 5 8.177 8.177 8.704 -0.527 25872 825 1 5 . 1 1 6 6 THR N N 6 117.433 117.433 119.494 -2.061 25872 826 1 5 . 1 1 6 6 THR HA H 6 4.649 4.649 4.529 0.120 25872 827 1 5 . 1 1 6 6 THR C C 6 170.644 170.644 172.501 -1.857 25872 828 1 5 . 1 1 6 6 THR CA C 6 57.823 57.823 59.759 -1.936 25872 829 1 5 . 1 1 6 6 THR CB C 6 67.184 67.184 69.676 -2.492 25872 830 1 5 . 1 1 6 6 THR H H 6 8.314 8.314 8.220 0.094 25872 831 1 5 . 1 1 7 7 PRO HA H 7 4.569 4.569 4.408 0.161 25872 832 1 5 . 1 1 7 7 PRO C C 7 173.983 173.983 175.249 -1.266 25872 833 1 5 . 1 1 7 7 PRO CA C 7 60.843 60.843 62.961 -2.118 25872 834 1 5 . 1 1 7 7 PRO CB C 7 29.556 29.556 31.919 -2.363 25872 835 1 5 . 1 1 8 8 PHE N N 8 119.597 119.597 121.921 -2.324 25872 836 1 5 . 1 1 8 8 PHE HA H 8 4.612 4.612 4.493 0.119 25872 837 1 5 . 1 1 8 8 PHE C C 8 173.291 173.291 175.566 -2.275 25872 838 1 5 . 1 1 8 8 PHE CA C 8 56.320 56.320 57.587 -1.267 25872 839 1 5 . 1 1 8 8 PHE CB C 8 37.156 37.156 40.623 -3.467 25872 840 1 5 . 1 1 8 8 PHE H H 8 8.381 8.381 8.184 0.197 25872 841 1 5 . 1 1 9 9 GLY N N 9 107.586 107.586 114.609 -7.023 25872 842 1 5 . 1 1 9 9 GLY C C 9 171.741 171.741 174.505 -2.764 25872 843 1 5 . 1 1 9 9 GLY CA C 9 43.719 43.719 44.587 -0.868 25872 844 1 5 . 1 1 9 9 GLY H H 9 8.557 8.557 8.591 -0.034 25872 845 1 5 . 1 1 10 10 VAL N N 10 118.248 118.248 125.534 -7.286 25872 846 1 5 . 1 1 10 10 VAL HA H 10 3.984 3.984 3.820 0.164 25872 847 1 5 . 1 1 10 10 VAL C C 10 173.124 173.124 177.345 -4.221 25872 848 1 5 . 1 1 10 10 VAL CA C 10 62.233 62.233 64.272 -2.039 25872 849 1 5 . 1 1 10 10 VAL CB C 10 30.351 30.351 32.167 -1.816 25872 850 1 5 . 1 1 10 10 VAL H H 10 7.970 7.970 8.332 -0.362 25872 851 1 5 . 1 1 11 11 SER N N 11 116.602 116.602 115.641 0.961 25872 852 1 5 . 1 1 11 11 SER HA H 11 4.339 4.339 4.239 0.100 25872 853 1 5 . 1 1 11 11 SER C C 11 172.929 172.929 176.496 -3.567 25872 854 1 5 . 1 1 11 11 SER CA C 11 58.493 58.493 61.176 -2.683 25872 855 1 5 . 1 1 11 11 SER CB C 11 60.928 60.928 62.811 -1.883 25872 856 1 5 . 1 1 11 11 SER H H 11 8.180 8.180 8.315 -0.135 25872 857 1 5 . 1 1 12 12 VAL N N 12 121.016 121.016 120.537 0.479 25872 858 1 5 . 1 1 12 12 VAL HA H 12 3.728 3.728 3.762 -0.034 25872 859 1 5 . 1 1 12 12 VAL C C 12 174.197 174.197 177.149 -2.952 25872 860 1 5 . 1 1 12 12 VAL CA C 12 63.881 63.881 65.066 -1.185 25872 861 1 5 . 1 1 12 12 VAL CB C 12 29.115 29.115 31.715 -2.600 25872 862 1 5 . 1 1 12 12 VAL H H 12 8.356 8.356 7.951 0.405 25872 863 1 5 . 1 1 13 13 ALA N N 13 121.087 121.087 122.361 -1.274 25872 864 1 5 . 1 1 13 13 ALA HA H 13 4.066 4.066 4.052 0.014 25872 865 1 5 . 1 1 13 13 ALA C C 13 176.105 176.105 180.020 -3.915 25872 866 1 5 . 1 1 13 13 ALA CA C 13 53.461 53.461 55.289 -1.828 25872 867 1 5 . 1 1 13 13 ALA CB C 13 16.246 16.246 18.192 -1.946 25872 868 1 5 . 1 1 13 13 ALA H H 13 8.162 8.162 7.592 0.570 25872 869 1 5 . 1 1 14 14 VAL N N 14 115.686 115.686 118.698 -3.012 25872 870 1 5 . 1 1 14 14 VAL HA H 14 3.669 3.669 3.629 0.040 25872 871 1 5 . 1 1 14 14 VAL C C 14 175.247 175.247 178.199 -2.952 25872 872 1 5 . 1 1 14 14 VAL CA C 14 64.315 64.315 66.823 -2.508 25872 873 1 5 . 1 1 14 14 VAL CB C 14 29.199 29.199 31.027 -1.828 25872 874 1 5 . 1 1 14 14 VAL H H 14 8.175 8.175 8.648 -0.473 25872 875 1 5 . 1 1 15 15 GLY N N 15 106.431 106.431 107.928 -1.497 25872 876 1 5 . 1 1 15 15 GLY C C 15 172.266 172.266 176.411 -4.145 25872 877 1 5 . 1 1 15 15 GLY CA C 15 45.494 45.494 47.296 -1.802 25872 878 1 5 . 1 1 15 15 GLY H H 15 8.465 8.465 7.779 0.686 25872 879 1 5 . 1 1 16 16 LEU N N 16 120.605 120.605 122.767 -2.162 25872 880 1 5 . 1 1 16 16 LEU HA H 16 4.222 4.222 3.887 0.335 25872 881 1 5 . 1 1 16 16 LEU C C 16 175.676 175.676 178.988 -3.312 25872 882 1 5 . 1 1 16 16 LEU CA C 16 55.691 55.691 57.751 -2.060 25872 883 1 5 . 1 1 16 16 LEU CB C 16 39.529 39.529 41.754 -2.225 25872 884 1 5 . 1 1 16 16 LEU H H 16 8.764 8.764 8.291 0.473 25872 885 1 5 . 1 1 17 17 ALA N N 17 121.535 121.535 121.551 -0.016 25872 886 1 5 . 1 1 17 17 ALA HA H 17 4.127 4.127 3.957 0.170 25872 887 1 5 . 1 1 17 17 ALA C C 17 176.892 176.892 179.611 -2.719 25872 888 1 5 . 1 1 17 17 ALA CA C 17 53.317 53.317 55.298 -1.981 25872 889 1 5 . 1 1 17 17 ALA CB C 17 15.647 15.647 17.989 -2.342 25872 890 1 5 . 1 1 17 17 ALA H H 17 8.315 8.315 7.867 0.448 25872 891 1 5 . 1 1 18 18 VAL N N 18 118.055 118.055 119.070 -1.015 25872 892 1 5 . 1 1 18 18 VAL HA H 18 3.592 3.592 3.526 0.066 25872 893 1 5 . 1 1 18 18 VAL C C 18 175.271 175.271 177.989 -2.718 25872 894 1 5 . 1 1 18 18 VAL CA C 18 64.999 64.999 66.745 -1.746 25872 895 1 5 . 1 1 18 18 VAL CB C 18 28.838 28.838 31.653 -2.815 25872 896 1 5 . 1 1 18 18 VAL H H 18 8.687 8.687 7.922 0.765 25872 897 1 5 . 1 1 19 19 PHE N N 19 119.235 119.235 119.704 -0.469 25872 898 1 5 . 1 1 19 19 PHE HA H 19 4.167 4.167 4.022 0.145 25872 899 1 5 . 1 1 19 19 PHE C C 19 174.197 174.197 177.187 -2.990 25872 900 1 5 . 1 1 19 19 PHE CA C 19 59.852 59.852 62.136 -2.284 25872 901 1 5 . 1 1 19 19 PHE CB C 19 36.490 36.490 38.910 -2.420 25872 902 1 5 . 1 1 19 19 PHE H H 19 8.622 8.622 8.064 0.558 25872 903 1 5 . 1 1 20 20 ALA N N 20 120.852 120.852 121.669 -0.817 25872 904 1 5 . 1 1 20 20 ALA HA H 20 3.936 3.936 4.135 -0.199 25872 905 1 5 . 1 1 20 20 ALA C C 20 176.558 176.558 179.423 -2.865 25872 906 1 5 . 1 1 20 20 ALA CA C 20 53.352 53.352 55.414 -2.062 25872 907 1 5 . 1 1 20 20 ALA CB C 20 15.324 15.324 18.001 -2.677 25872 908 1 5 . 1 1 20 20 ALA H H 20 9.059 9.059 8.533 0.526 25872 909 1 5 . 1 1 21 21 CYS N N 21 115.298 115.298 117.973 -2.675 25872 910 1 5 . 1 1 21 21 CYS HA H 21 4.141 4.141 4.092 0.049 25872 911 1 5 . 1 1 21 21 CYS CA C 21 61.968 61.968 64.612 -2.644 25872 912 1 5 . 1 1 21 21 CYS H H 21 8.311 8.311 8.466 -0.155 25872 913 1 5 . 1 1 22 22 LEU N N 22 122.447 122.447 120.827 1.620 25872 914 1 5 . 1 1 22 22 LEU HA H 22 4.077 4.077 3.899 0.178 25872 915 1 5 . 1 1 22 22 LEU C C 22 176.153 176.153 178.596 -2.443 25872 916 1 5 . 1 1 22 22 LEU CA C 22 55.797 55.797 57.911 -2.114 25872 917 1 5 . 1 1 22 22 LEU CB C 22 39.312 39.312 41.663 -2.351 25872 918 1 5 . 1 1 22 22 LEU H H 22 8.607 8.607 7.818 0.789 25872 919 1 5 . 1 1 23 23 PHE N N 23 122.153 122.153 120.368 1.785 25872 920 1 5 . 1 1 23 23 PHE HA H 23 4.041 4.041 4.070 -0.029 25872 921 1 5 . 1 1 23 23 PHE C C 23 173.959 173.959 177.477 -3.518 25872 922 1 5 . 1 1 23 23 PHE CA C 23 59.055 59.055 60.545 -1.490 25872 923 1 5 . 1 1 23 23 PHE CB C 23 36.704 36.704 38.630 -1.926 25872 924 1 5 . 1 1 23 23 PHE H H 23 8.998 8.998 7.838 1.160 25872 925 1 5 . 1 1 24 24 LEU N N 24 118.082 118.082 118.012 0.070 25872 926 1 5 . 1 1 24 24 LEU HA H 24 3.896 3.896 3.609 0.287 25872 927 1 5 . 1 1 24 24 LEU C C 24 175.915 175.915 178.933 -3.018 25872 928 1 5 . 1 1 24 24 LEU CA C 24 55.787 55.787 57.886 -2.099 25872 929 1 5 . 1 1 24 24 LEU CB C 24 39.488 39.488 41.511 -2.023 25872 930 1 5 . 1 1 24 24 LEU H H 24 8.653 8.653 8.111 0.542 25872 931 1 5 . 1 1 25 25 SER N N 25 113.414 113.414 115.788 -2.374 25872 932 1 5 . 1 1 25 25 SER HA H 25 4.080 4.080 4.219 -0.139 25872 933 1 5 . 1 1 25 25 SER C C 25 172.719 172.719 176.601 -3.882 25872 934 1 5 . 1 1 25 25 SER CA C 25 61.220 61.220 62.265 -1.045 25872 935 1 5 . 1 1 25 25 SER CB C 25 60.568 60.568 62.984 -2.417 25872 936 1 5 . 1 1 25 25 SER H H 25 8.172 8.172 7.946 0.226 25872 937 1 5 . 1 1 26 26 THR N N 26 117.783 117.783 119.929 -2.146 25872 938 1 5 . 1 1 26 26 THR HA H 26 3.787 3.787 4.064 -0.277 25872 939 1 5 . 1 1 26 26 THR C C 26 175.676 175.676 176.244 -0.568 25872 940 1 5 . 1 1 26 26 THR CA C 26 65.563 65.563 66.282 -0.719 25872 941 1 5 . 1 1 26 26 THR CB C 26 65.262 65.262 68.638 -3.376 25872 942 1 5 . 1 1 26 26 THR H H 26 7.845 7.845 8.352 -0.507 25872 943 1 5 . 1 1 27 27 LEU N N 27 121.022 121.022 121.443 -0.421 25872 944 1 5 . 1 1 27 27 LEU HA H 27 3.891 3.891 3.918 -0.027 25872 945 1 5 . 1 1 27 27 LEU C C 27 175.676 175.676 178.520 -2.844 25872 946 1 5 . 1 1 27 27 LEU CA C 27 55.991 55.991 58.291 -2.300 25872 947 1 5 . 1 1 27 27 LEU CB C 27 39.194 39.194 41.276 -2.083 25872 948 1 5 . 1 1 27 27 LEU H H 27 8.053 8.053 7.792 0.261 25872 949 1 5 . 1 1 28 28 LEU N N 28 117.328 117.328 118.661 -1.333 25872 950 1 5 . 1 1 28 28 LEU HA H 28 4.040 4.040 3.871 0.169 25872 951 1 5 . 1 1 28 28 LEU C C 28 176.439 176.439 179.323 -2.884 25872 952 1 5 . 1 1 28 28 LEU CA C 28 55.847 55.847 57.734 -1.887 25872 953 1 5 . 1 1 28 28 LEU CB C 28 39.186 39.186 41.556 -2.370 25872 954 1 5 . 1 1 28 28 LEU H H 28 8.206 8.206 7.597 0.609 25872 955 1 5 . 1 1 29 29 LEU N N 29 119.596 119.596 119.048 0.548 25872 956 1 5 . 1 1 29 29 LEU HA H 29 4.173 4.173 3.912 0.261 25872 957 1 5 . 1 1 29 29 LEU C C 29 176.773 176.773 178.998 -2.225 25872 958 1 5 . 1 1 29 29 LEU CA C 29 55.943 55.943 57.954 -2.011 25872 959 1 5 . 1 1 29 29 LEU CB C 29 39.593 39.593 41.666 -2.073 25872 960 1 5 . 1 1 29 29 LEU H H 29 8.121 8.121 7.697 0.424 25872 961 1 5 . 1 1 30 30 VAL N N 30 118.438 118.438 119.912 -1.474 25872 962 1 5 . 1 1 30 30 VAL HA H 30 3.743 3.743 3.623 0.120 25872 963 1 5 . 1 1 30 30 VAL C C 30 175.294 175.294 177.792 -2.498 25872 964 1 5 . 1 1 30 30 VAL CA C 30 64.164 64.164 67.077 -2.913 25872 965 1 5 . 1 1 30 30 VAL CB C 30 29.137 29.137 31.481 -2.344 25872 966 1 5 . 1 1 30 30 VAL H H 30 8.429 8.429 7.616 0.813 25872 967 1 5 . 1 1 31 31 LEU N N 31 119.064 119.064 118.634 0.430 25872 968 1 5 . 1 1 31 31 LEU HA H 31 4.158 4.158 3.908 0.250 25872 969 1 5 . 1 1 31 31 LEU C C 31 176.058 176.058 178.590 -2.532 25872 970 1 5 . 1 1 31 31 LEU CA C 31 55.204 55.204 57.594 -2.390 25872 971 1 5 . 1 1 31 31 LEU CB C 31 39.340 39.340 41.143 -1.803 25872 972 1 5 . 1 1 31 31 LEU H H 31 8.552 8.552 7.998 0.554 25872 973 1 5 . 1 1 32 32 ASN HA H 32 4.632 4.632 4.552 0.080 25872 974 1 5 . 1 1 32 32 ASN H H 32 8.148 8.148 7.776 0.372 25872 975 1 5 . 1 1 33 33 LYS N N 33 118.261 118.261 120.808 -2.547 25872 976 1 5 . 1 1 33 33 LYS HA H 33 4.334 4.334 4.091 0.243 25872 977 1 5 . 1 1 33 33 LYS C C 33 174.722 174.722 176.223 -1.501 25872 978 1 5 . 1 1 33 33 LYS CA C 33 54.918 54.918 58.290 -3.372 25872 979 1 5 . 1 1 33 33 LYS CB C 33 30.315 30.315 33.163 -2.848 25872 980 1 5 . 1 1 33 33 LYS H H 33 8.074 8.074 8.038 0.036 25872 981 1 5 . 1 1 34 34 ALA N N 34 120.974 120.974 119.405 1.569 25872 982 1 5 . 1 1 34 34 ALA HA H 34 4.381 4.381 4.532 -0.151 25872 983 1 5 . 1 1 34 34 ALA C C 34 175.557 175.557 176.602 -1.045 25872 984 1 5 . 1 1 34 34 ALA CA C 34 50.859 50.859 52.265 -1.406 25872 985 1 5 . 1 1 34 34 ALA CB C 34 16.769 16.769 20.191 -3.422 25872 986 1 5 . 1 1 34 34 ALA H H 34 8.344 8.344 7.635 0.709 25872 987 1 5 . 1 1 35 35 GLY N N 35 105.444 105.444 110.885 -5.441 25872 988 1 5 . 1 1 35 35 GLY C C 35 171.431 171.431 173.846 -2.415 25872 989 1 5 . 1 1 35 35 GLY CA C 35 43.302 43.302 45.152 -1.850 25872 990 1 5 . 1 1 35 35 GLY H H 35 8.192 8.192 8.662 -0.470 25872 991 1 5 . 1 1 36 36 ARG N N 36 119.296 119.296 120.804 -1.508 25872 992 1 5 . 1 1 36 36 ARG HA H 36 4.474 4.474 4.508 -0.034 25872 993 1 5 . 1 1 36 36 ARG C C 36 173.530 173.530 175.832 -2.302 25872 994 1 5 . 1 1 36 36 ARG CA C 36 53.566 53.566 55.626 -2.060 25872 995 1 5 . 1 1 36 36 ARG CB C 36 28.281 28.281 31.101 -2.820 25872 996 1 5 . 1 1 36 36 ARG H H 36 7.991 7.991 7.365 0.626 25872 997 1 5 . 1 1 37 37 ARG N N 37 120.950 120.950 122.861 -1.911 25872 998 1 5 . 1 1 37 37 ARG HA H 37 4.460 4.460 4.586 -0.126 25872 999 1 5 . 1 1 37 37 ARG C C 37 173.411 173.411 175.253 -1.842 25872 1000 1 5 . 1 1 37 37 ARG CA C 37 53.772 53.772 55.309 -1.538 25872 1001 1 5 . 1 1 37 37 ARG CB C 37 28.416 28.416 32.592 -4.176 25872 1002 1 5 . 1 1 37 37 ARG H H 37 8.320 8.320 8.509 -0.189 25872 1003 1 5 . 1 1 38 38 ASN HA H 38 4.806 4.806 4.819 -0.013 25872 1004 1 5 . 1 1 38 38 ASN C C 38 171.383 171.383 174.913 -3.530 25872 1005 1 5 . 1 1 38 38 ASN CA C 38 51.070 51.070 52.812 -1.742 25872 1006 1 6 . 1 1 2 2 LYS N N 2 123.102 123.102 120.994 2.108 25872 1007 1 6 . 1 1 2 2 LYS H H 2 8.483 8.483 8.109 0.374 25872 1008 1 6 . 1 1 3 3 LYS N N 3 123.206 123.206 121.898 1.308 25872 1009 1 6 . 1 1 3 3 LYS HA H 3 4.364 4.364 4.513 -0.149 25872 1010 1 6 . 1 1 3 3 LYS C C 3 173.506 173.506 174.820 -1.314 25872 1011 1 6 . 1 1 3 3 LYS CA C 3 54.569 54.569 56.548 -1.979 25872 1012 1 6 . 1 1 3 3 LYS CB C 3 30.685 30.685 33.099 -2.414 25872 1013 1 6 . 1 1 3 3 LYS H H 3 8.609 8.609 7.784 0.825 25872 1014 1 6 . 1 1 4 4 ASP N N 4 120.271 120.271 122.098 -1.827 25872 1015 1 6 . 1 1 4 4 ASP HA H 4 4.706 4.706 4.781 -0.075 25872 1016 1 6 . 1 1 4 4 ASP C C 4 173.339 173.339 174.729 -1.390 25872 1017 1 6 . 1 1 4 4 ASP CA C 4 52.055 52.055 54.344 -2.289 25872 1018 1 6 . 1 1 4 4 ASP CB C 4 38.662 38.662 42.620 -3.958 25872 1019 1 6 . 1 1 4 4 ASP H H 4 8.420 8.420 8.383 0.037 25872 1020 1 6 . 1 1 5 5 GLU N N 5 120.404 120.404 121.787 -1.383 25872 1021 1 6 . 1 1 5 5 GLU HA H 5 4.516 4.516 4.538 -0.022 25872 1022 1 6 . 1 1 5 5 GLU C C 5 173.506 173.506 174.911 -1.405 25872 1023 1 6 . 1 1 5 5 GLU CA C 5 53.808 53.808 56.730 -2.922 25872 1024 1 6 . 1 1 5 5 GLU CB C 5 28.434 28.434 30.321 -1.887 25872 1025 1 6 . 1 1 5 5 GLU H H 5 8.177 8.177 8.782 -0.605 25872 1026 1 6 . 1 1 6 6 THR N N 6 117.433 117.433 118.568 -1.135 25872 1027 1 6 . 1 1 6 6 THR HA H 6 4.649 4.649 4.629 0.020 25872 1028 1 6 . 1 1 6 6 THR C C 6 170.644 170.644 172.125 -1.481 25872 1029 1 6 . 1 1 6 6 THR CA C 6 57.823 57.823 60.062 -2.240 25872 1030 1 6 . 1 1 6 6 THR CB C 6 67.184 67.184 70.360 -3.176 25872 1031 1 6 . 1 1 6 6 THR H H 6 8.314 8.314 8.186 0.128 25872 1032 1 6 . 1 1 7 7 PRO HA H 7 4.569 4.569 4.507 0.062 25872 1033 1 6 . 1 1 7 7 PRO C C 7 173.983 173.983 175.144 -1.161 25872 1034 1 6 . 1 1 7 7 PRO CA C 7 60.843 60.843 62.900 -2.057 25872 1035 1 6 . 1 1 7 7 PRO CB C 7 29.556 29.556 32.051 -2.495 25872 1036 1 6 . 1 1 8 8 PHE N N 8 119.597 119.597 121.630 -2.033 25872 1037 1 6 . 1 1 8 8 PHE HA H 8 4.612 4.612 4.487 0.125 25872 1038 1 6 . 1 1 8 8 PHE C C 8 173.291 173.291 175.678 -2.387 25872 1039 1 6 . 1 1 8 8 PHE CA C 8 56.320 56.320 57.454 -1.134 25872 1040 1 6 . 1 1 8 8 PHE CB C 8 37.156 37.156 40.574 -3.418 25872 1041 1 6 . 1 1 8 8 PHE H H 8 8.381 8.381 8.118 0.263 25872 1042 1 6 . 1 1 9 9 GLY N N 9 107.586 107.586 114.752 -7.166 25872 1043 1 6 . 1 1 9 9 GLY C C 9 171.741 171.741 174.912 -3.171 25872 1044 1 6 . 1 1 9 9 GLY CA C 9 43.719 43.719 45.013 -1.294 25872 1045 1 6 . 1 1 9 9 GLY H H 9 8.557 8.557 8.726 -0.169 25872 1046 1 6 . 1 1 10 10 VAL N N 10 118.248 118.248 125.327 -7.079 25872 1047 1 6 . 1 1 10 10 VAL HA H 10 3.984 3.984 3.645 0.339 25872 1048 1 6 . 1 1 10 10 VAL C C 10 173.124 173.124 177.498 -4.374 25872 1049 1 6 . 1 1 10 10 VAL CA C 10 62.233 62.233 64.936 -2.704 25872 1050 1 6 . 1 1 10 10 VAL CB C 10 30.351 30.351 31.927 -1.576 25872 1051 1 6 . 1 1 10 10 VAL H H 10 7.970 7.970 8.377 -0.407 25872 1052 1 6 . 1 1 11 11 SER N N 11 116.602 116.602 115.587 1.015 25872 1053 1 6 . 1 1 11 11 SER HA H 11 4.339 4.339 4.227 0.112 25872 1054 1 6 . 1 1 11 11 SER C C 11 172.929 172.929 176.566 -3.637 25872 1055 1 6 . 1 1 11 11 SER CA C 11 58.493 58.493 61.536 -3.043 25872 1056 1 6 . 1 1 11 11 SER CB C 11 60.928 60.928 62.466 -1.538 25872 1057 1 6 . 1 1 11 11 SER H H 11 8.180 8.180 8.400 -0.220 25872 1058 1 6 . 1 1 12 12 VAL N N 12 121.016 121.016 122.284 -1.268 25872 1059 1 6 . 1 1 12 12 VAL HA H 12 3.728 3.728 3.789 -0.061 25872 1060 1 6 . 1 1 12 12 VAL C C 12 174.197 174.197 177.430 -3.233 25872 1061 1 6 . 1 1 12 12 VAL CA C 12 63.881 63.881 65.437 -1.556 25872 1062 1 6 . 1 1 12 12 VAL CB C 12 29.115 29.115 31.448 -2.333 25872 1063 1 6 . 1 1 12 12 VAL H H 12 8.356 8.356 7.784 0.572 25872 1064 1 6 . 1 1 13 13 ALA N N 13 121.087 121.087 122.204 -1.117 25872 1065 1 6 . 1 1 13 13 ALA HA H 13 4.066 4.066 4.034 0.032 25872 1066 1 6 . 1 1 13 13 ALA C C 13 176.105 176.105 179.988 -3.883 25872 1067 1 6 . 1 1 13 13 ALA CA C 13 53.461 53.461 55.372 -1.911 25872 1068 1 6 . 1 1 13 13 ALA CB C 13 16.246 16.246 18.127 -1.881 25872 1069 1 6 . 1 1 13 13 ALA H H 13 8.162 8.162 8.212 -0.050 25872 1070 1 6 . 1 1 14 14 VAL N N 14 115.686 115.686 119.182 -3.496 25872 1071 1 6 . 1 1 14 14 VAL HA H 14 3.669 3.669 3.617 0.052 25872 1072 1 6 . 1 1 14 14 VAL C C 14 175.247 175.247 178.141 -2.894 25872 1073 1 6 . 1 1 14 14 VAL CA C 14 64.315 64.315 66.941 -2.626 25872 1074 1 6 . 1 1 14 14 VAL CB C 14 29.199 29.199 31.423 -2.224 25872 1075 1 6 . 1 1 14 14 VAL H H 14 8.175 8.175 8.477 -0.302 25872 1076 1 6 . 1 1 15 15 GLY N N 15 106.431 106.431 107.578 -1.147 25872 1077 1 6 . 1 1 15 15 GLY C C 15 172.266 172.266 176.280 -4.014 25872 1078 1 6 . 1 1 15 15 GLY CA C 15 45.494 45.494 47.270 -1.776 25872 1079 1 6 . 1 1 15 15 GLY H H 15 8.465 8.465 7.761 0.704 25872 1080 1 6 . 1 1 16 16 LEU N N 16 120.605 120.605 122.784 -2.179 25872 1081 1 6 . 1 1 16 16 LEU HA H 16 4.222 4.222 3.883 0.339 25872 1082 1 6 . 1 1 16 16 LEU C C 16 175.676 175.676 178.980 -3.304 25872 1083 1 6 . 1 1 16 16 LEU CA C 16 55.691 55.691 57.773 -2.082 25872 1084 1 6 . 1 1 16 16 LEU CB C 16 39.529 39.529 41.748 -2.219 25872 1085 1 6 . 1 1 16 16 LEU H H 16 8.764 8.764 8.551 0.213 25872 1086 1 6 . 1 1 17 17 ALA N N 17 121.535 121.535 121.629 -0.094 25872 1087 1 6 . 1 1 17 17 ALA HA H 17 4.127 4.127 3.966 0.161 25872 1088 1 6 . 1 1 17 17 ALA C C 17 176.892 176.892 179.749 -2.857 25872 1089 1 6 . 1 1 17 17 ALA CA C 17 53.317 53.317 55.325 -2.008 25872 1090 1 6 . 1 1 17 17 ALA CB C 17 15.647 15.647 17.985 -2.338 25872 1091 1 6 . 1 1 17 17 ALA H H 17 8.315 8.315 7.921 0.394 25872 1092 1 6 . 1 1 18 18 VAL N N 18 118.055 118.055 118.760 -0.705 25872 1093 1 6 . 1 1 18 18 VAL HA H 18 3.592 3.592 3.579 0.013 25872 1094 1 6 . 1 1 18 18 VAL C C 18 175.271 175.271 178.176 -2.905 25872 1095 1 6 . 1 1 18 18 VAL CA C 18 64.999 64.999 67.189 -2.190 25872 1096 1 6 . 1 1 18 18 VAL CB C 18 28.838 28.838 31.285 -2.447 25872 1097 1 6 . 1 1 18 18 VAL H H 18 8.687 8.687 7.904 0.783 25872 1098 1 6 . 1 1 19 19 PHE N N 19 119.235 119.235 120.140 -0.905 25872 1099 1 6 . 1 1 19 19 PHE HA H 19 4.167 4.167 4.029 0.138 25872 1100 1 6 . 1 1 19 19 PHE C C 19 174.197 174.197 177.343 -3.146 25872 1101 1 6 . 1 1 19 19 PHE CA C 19 59.852 59.852 62.203 -2.351 25872 1102 1 6 . 1 1 19 19 PHE CB C 19 36.490 36.490 38.814 -2.324 25872 1103 1 6 . 1 1 19 19 PHE H H 19 8.622 8.622 8.165 0.457 25872 1104 1 6 . 1 1 20 20 ALA N N 20 120.852 120.852 121.651 -0.799 25872 1105 1 6 . 1 1 20 20 ALA HA H 20 3.936 3.936 4.138 -0.202 25872 1106 1 6 . 1 1 20 20 ALA C C 20 176.558 176.558 179.413 -2.855 25872 1107 1 6 . 1 1 20 20 ALA CA C 20 53.352 53.352 55.413 -2.061 25872 1108 1 6 . 1 1 20 20 ALA CB C 20 15.324 15.324 18.000 -2.676 25872 1109 1 6 . 1 1 20 20 ALA H H 20 9.059 9.059 8.507 0.552 25872 1110 1 6 . 1 1 21 21 CYS N N 21 115.298 115.298 118.028 -2.730 25872 1111 1 6 . 1 1 21 21 CYS HA H 21 4.141 4.141 4.098 0.043 25872 1112 1 6 . 1 1 21 21 CYS CA C 21 61.968 61.968 64.609 -2.640 25872 1113 1 6 . 1 1 21 21 CYS H H 21 8.311 8.311 8.495 -0.184 25872 1114 1 6 . 1 1 22 22 LEU N N 22 122.447 122.447 120.907 1.540 25872 1115 1 6 . 1 1 22 22 LEU HA H 22 4.077 4.077 3.906 0.171 25872 1116 1 6 . 1 1 22 22 LEU C C 22 176.153 176.153 178.532 -2.379 25872 1117 1 6 . 1 1 22 22 LEU CA C 22 55.797 55.797 58.112 -2.315 25872 1118 1 6 . 1 1 22 22 LEU CB C 22 39.312 39.312 41.722 -2.410 25872 1119 1 6 . 1 1 22 22 LEU H H 22 8.607 8.607 7.825 0.782 25872 1120 1 6 . 1 1 23 23 PHE N N 23 122.153 122.153 120.519 1.634 25872 1121 1 6 . 1 1 23 23 PHE HA H 23 4.041 4.041 4.091 -0.050 25872 1122 1 6 . 1 1 23 23 PHE C C 23 173.959 173.959 177.133 -3.174 25872 1123 1 6 . 1 1 23 23 PHE CA C 23 59.055 59.055 60.290 -1.235 25872 1124 1 6 . 1 1 23 23 PHE CB C 23 36.704 36.704 38.547 -1.843 25872 1125 1 6 . 1 1 23 23 PHE H H 23 8.998 8.998 7.823 1.175 25872 1126 1 6 . 1 1 24 24 LEU N N 24 118.082 118.082 118.141 -0.059 25872 1127 1 6 . 1 1 24 24 LEU HA H 24 3.896 3.896 3.585 0.311 25872 1128 1 6 . 1 1 24 24 LEU C C 24 175.915 175.915 178.951 -3.036 25872 1129 1 6 . 1 1 24 24 LEU CA C 24 55.787 55.787 57.994 -2.207 25872 1130 1 6 . 1 1 24 24 LEU CB C 24 39.488 39.488 41.508 -2.020 25872 1131 1 6 . 1 1 24 24 LEU H H 24 8.653 8.653 8.132 0.521 25872 1132 1 6 . 1 1 25 25 SER N N 25 113.414 113.414 115.609 -2.195 25872 1133 1 6 . 1 1 25 25 SER HA H 25 4.080 4.080 4.171 -0.091 25872 1134 1 6 . 1 1 25 25 SER C C 25 172.719 172.719 176.671 -3.952 25872 1135 1 6 . 1 1 25 25 SER CA C 25 61.220 61.220 62.462 -1.242 25872 1136 1 6 . 1 1 25 25 SER CB C 25 60.568 60.568 62.928 -2.360 25872 1137 1 6 . 1 1 25 25 SER H H 25 8.172 8.172 7.950 0.222 25872 1138 1 6 . 1 1 26 26 THR N N 26 117.783 117.783 119.862 -2.079 25872 1139 1 6 . 1 1 26 26 THR HA H 26 3.787 3.787 3.967 -0.180 25872 1140 1 6 . 1 1 26 26 THR C C 26 175.676 175.676 176.457 -0.781 25872 1141 1 6 . 1 1 26 26 THR CA C 26 65.563 65.563 67.291 -1.728 25872 1142 1 6 . 1 1 26 26 THR CB C 26 65.262 65.262 68.956 -3.694 25872 1143 1 6 . 1 1 26 26 THR H H 26 7.845 7.845 8.197 -0.352 25872 1144 1 6 . 1 1 27 27 LEU N N 27 121.022 121.022 121.563 -0.541 25872 1145 1 6 . 1 1 27 27 LEU HA H 27 3.891 3.891 3.882 0.009 25872 1146 1 6 . 1 1 27 27 LEU C C 27 175.676 175.676 178.777 -3.101 25872 1147 1 6 . 1 1 27 27 LEU CA C 27 55.991 55.991 58.158 -2.167 25872 1148 1 6 . 1 1 27 27 LEU CB C 27 39.194 39.194 41.250 -2.056 25872 1149 1 6 . 1 1 27 27 LEU H H 27 8.053 8.053 7.861 0.192 25872 1150 1 6 . 1 1 28 28 LEU N N 28 117.328 117.328 118.834 -1.506 25872 1151 1 6 . 1 1 28 28 LEU HA H 28 4.040 4.040 3.853 0.187 25872 1152 1 6 . 1 1 28 28 LEU C C 28 176.439 176.439 179.249 -2.810 25872 1153 1 6 . 1 1 28 28 LEU CA C 28 55.847 55.847 57.806 -1.959 25872 1154 1 6 . 1 1 28 28 LEU CB C 28 39.186 39.186 41.670 -2.484 25872 1155 1 6 . 1 1 28 28 LEU H H 28 8.206 8.206 7.622 0.584 25872 1156 1 6 . 1 1 29 29 LEU N N 29 119.596 119.596 118.713 0.883 25872 1157 1 6 . 1 1 29 29 LEU HA H 29 4.173 4.173 3.902 0.271 25872 1158 1 6 . 1 1 29 29 LEU C C 29 176.773 176.773 179.157 -2.384 25872 1159 1 6 . 1 1 29 29 LEU CA C 29 55.943 55.943 57.954 -2.011 25872 1160 1 6 . 1 1 29 29 LEU CB C 29 39.593 39.593 41.637 -2.044 25872 1161 1 6 . 1 1 29 29 LEU H H 29 8.121 8.121 7.773 0.348 25872 1162 1 6 . 1 1 30 30 VAL N N 30 118.438 118.438 119.799 -1.361 25872 1163 1 6 . 1 1 30 30 VAL HA H 30 3.743 3.743 3.605 0.138 25872 1164 1 6 . 1 1 30 30 VAL C C 30 175.294 175.294 177.856 -2.562 25872 1165 1 6 . 1 1 30 30 VAL CA C 30 64.164 64.164 66.669 -2.506 25872 1166 1 6 . 1 1 30 30 VAL CB C 30 29.137 29.137 31.911 -2.774 25872 1167 1 6 . 1 1 30 30 VAL H H 30 8.429 8.429 7.632 0.797 25872 1168 1 6 . 1 1 31 31 LEU N N 31 119.064 119.064 117.765 1.299 25872 1169 1 6 . 1 1 31 31 LEU HA H 31 4.158 4.158 3.993 0.165 25872 1170 1 6 . 1 1 31 31 LEU C C 31 176.058 176.058 178.242 -2.184 25872 1171 1 6 . 1 1 31 31 LEU CA C 31 55.204 55.204 57.638 -2.433 25872 1172 1 6 . 1 1 31 31 LEU CB C 31 39.340 39.340 41.141 -1.801 25872 1173 1 6 . 1 1 31 31 LEU H H 31 8.552 8.552 8.201 0.351 25872 1174 1 6 . 1 1 32 32 ASN HA H 32 4.632 4.632 4.723 -0.091 25872 1175 1 6 . 1 1 32 32 ASN H H 32 8.148 8.148 7.922 0.226 25872 1176 1 6 . 1 1 33 33 LYS N N 33 118.261 118.261 120.126 -1.865 25872 1177 1 6 . 1 1 33 33 LYS HA H 33 4.334 4.334 4.298 0.036 25872 1178 1 6 . 1 1 33 33 LYS C C 33 174.722 174.722 176.939 -2.217 25872 1179 1 6 . 1 1 33 33 LYS CA C 33 54.918 54.918 56.429 -1.511 25872 1180 1 6 . 1 1 33 33 LYS CB C 33 30.315 30.315 32.292 -1.977 25872 1181 1 6 . 1 1 33 33 LYS H H 33 8.074 8.074 7.762 0.312 25872 1182 1 6 . 1 1 34 34 ALA N N 34 120.974 120.974 120.753 0.221 25872 1183 1 6 . 1 1 34 34 ALA HA H 34 4.381 4.381 4.176 0.205 25872 1184 1 6 . 1 1 34 34 ALA C C 34 175.557 175.557 179.111 -3.554 25872 1185 1 6 . 1 1 34 34 ALA CA C 34 50.859 50.859 53.789 -2.930 25872 1186 1 6 . 1 1 34 34 ALA CB C 34 16.769 16.769 18.789 -2.020 25872 1187 1 6 . 1 1 34 34 ALA H H 34 8.344 8.344 7.618 0.726 25872 1188 1 6 . 1 1 35 35 GLY N N 35 105.444 105.444 107.396 -1.952 25872 1189 1 6 . 1 1 35 35 GLY C C 35 171.431 171.431 173.597 -2.166 25872 1190 1 6 . 1 1 35 35 GLY CA C 35 43.302 43.302 44.344 -1.042 25872 1191 1 6 . 1 1 35 35 GLY H H 35 8.192 8.192 8.085 0.107 25872 1192 1 6 . 1 1 36 36 ARG N N 36 119.296 119.296 121.899 -2.603 25872 1193 1 6 . 1 1 36 36 ARG HA H 36 4.474 4.474 4.309 0.165 25872 1194 1 6 . 1 1 36 36 ARG C C 36 173.530 173.530 175.907 -2.377 25872 1195 1 6 . 1 1 36 36 ARG CA C 36 53.566 53.566 55.824 -2.258 25872 1196 1 6 . 1 1 36 36 ARG CB C 36 28.281 28.281 31.225 -2.944 25872 1197 1 6 . 1 1 36 36 ARG H H 36 7.991 7.991 7.588 0.403 25872 1198 1 6 . 1 1 37 37 ARG N N 37 120.950 120.950 124.420 -3.470 25872 1199 1 6 . 1 1 37 37 ARG HA H 37 4.460 4.460 4.475 -0.015 25872 1200 1 6 . 1 1 37 37 ARG C C 37 173.411 173.411 175.033 -1.622 25872 1201 1 6 . 1 1 37 37 ARG CA C 37 53.772 53.772 55.697 -1.925 25872 1202 1 6 . 1 1 37 37 ARG CB C 37 28.416 28.416 31.797 -3.381 25872 1203 1 6 . 1 1 37 37 ARG H H 37 8.320 8.320 8.433 -0.113 25872 1204 1 6 . 1 1 38 38 ASN HA H 38 4.806 4.806 4.825 -0.019 25872 1205 1 6 . 1 1 38 38 ASN C C 38 171.383 171.383 174.992 -3.609 25872 1206 1 6 . 1 1 38 38 ASN CA C 38 51.070 51.070 52.994 -1.924 25872 1207 1 7 . 1 1 2 2 LYS N N 2 123.102 123.102 123.316 -0.214 25872 1208 1 7 . 1 1 2 2 LYS H H 2 8.483 8.483 8.167 0.316 25872 1209 1 7 . 1 1 3 3 LYS N N 3 123.206 123.206 123.162 0.044 25872 1210 1 7 . 1 1 3 3 LYS HA H 3 4.364 4.364 4.441 -0.077 25872 1211 1 7 . 1 1 3 3 LYS C C 3 173.506 173.506 175.740 -2.234 25872 1212 1 7 . 1 1 3 3 LYS CA C 3 54.569 54.569 56.150 -1.581 25872 1213 1 7 . 1 1 3 3 LYS CB C 3 30.685 30.685 33.146 -2.461 25872 1214 1 7 . 1 1 3 3 LYS H H 3 8.609 8.609 8.480 0.129 25872 1215 1 7 . 1 1 4 4 ASP N N 4 120.271 120.271 121.455 -1.184 25872 1216 1 7 . 1 1 4 4 ASP HA H 4 4.706 4.706 4.643 0.063 25872 1217 1 7 . 1 1 4 4 ASP C C 4 173.339 173.339 174.610 -1.271 25872 1218 1 7 . 1 1 4 4 ASP CA C 4 52.055 52.055 54.374 -2.319 25872 1219 1 7 . 1 1 4 4 ASP CB C 4 38.662 38.662 43.038 -4.375 25872 1220 1 7 . 1 1 4 4 ASP H H 4 8.420 8.420 8.459 -0.039 25872 1221 1 7 . 1 1 5 5 GLU N N 5 120.404 120.404 124.196 -3.792 25872 1222 1 7 . 1 1 5 5 GLU HA H 5 4.516 4.516 4.565 -0.049 25872 1223 1 7 . 1 1 5 5 GLU C C 5 173.506 173.506 174.711 -1.205 25872 1224 1 7 . 1 1 5 5 GLU CA C 5 53.808 53.808 56.828 -3.020 25872 1225 1 7 . 1 1 5 5 GLU CB C 5 28.434 28.434 30.205 -1.771 25872 1226 1 7 . 1 1 5 5 GLU H H 5 8.177 8.177 8.849 -0.672 25872 1227 1 7 . 1 1 6 6 THR N N 6 117.433 117.433 115.823 1.610 25872 1228 1 7 . 1 1 6 6 THR HA H 6 4.649 4.649 4.731 -0.082 25872 1229 1 7 . 1 1 6 6 THR C C 6 170.644 170.644 172.327 -1.683 25872 1230 1 7 . 1 1 6 6 THR CA C 6 57.823 57.823 58.820 -0.997 25872 1231 1 7 . 1 1 6 6 THR CB C 6 67.184 67.184 69.674 -2.490 25872 1232 1 7 . 1 1 6 6 THR H H 6 8.314 8.314 8.221 0.093 25872 1233 1 7 . 1 1 7 7 PRO HA H 7 4.569 4.569 4.386 0.183 25872 1234 1 7 . 1 1 7 7 PRO C C 7 173.983 173.983 175.298 -1.315 25872 1235 1 7 . 1 1 7 7 PRO CA C 7 60.843 60.843 62.817 -1.974 25872 1236 1 7 . 1 1 7 7 PRO CB C 7 29.556 29.556 31.765 -2.209 25872 1237 1 7 . 1 1 8 8 PHE N N 8 119.597 119.597 122.835 -3.238 25872 1238 1 7 . 1 1 8 8 PHE HA H 8 4.612 4.612 4.568 0.044 25872 1239 1 7 . 1 1 8 8 PHE C C 8 173.291 173.291 175.678 -2.387 25872 1240 1 7 . 1 1 8 8 PHE CA C 8 56.320 56.320 58.065 -1.744 25872 1241 1 7 . 1 1 8 8 PHE CB C 8 37.156 37.156 40.569 -3.413 25872 1242 1 7 . 1 1 8 8 PHE H H 8 8.381 8.381 8.254 0.127 25872 1243 1 7 . 1 1 9 9 GLY N N 9 107.586 107.586 113.573 -5.987 25872 1244 1 7 . 1 1 9 9 GLY C C 9 171.741 171.741 175.022 -3.281 25872 1245 1 7 . 1 1 9 9 GLY CA C 9 43.719 43.719 44.714 -0.994 25872 1246 1 7 . 1 1 9 9 GLY H H 9 8.557 8.557 8.427 0.130 25872 1247 1 7 . 1 1 10 10 VAL N N 10 118.248 118.248 125.541 -7.293 25872 1248 1 7 . 1 1 10 10 VAL HA H 10 3.984 3.984 3.797 0.187 25872 1249 1 7 . 1 1 10 10 VAL C C 10 173.124 173.124 177.429 -4.305 25872 1250 1 7 . 1 1 10 10 VAL CA C 10 62.233 62.233 64.641 -2.408 25872 1251 1 7 . 1 1 10 10 VAL CB C 10 30.351 30.351 32.081 -1.730 25872 1252 1 7 . 1 1 10 10 VAL H H 10 7.970 7.970 8.273 -0.303 25872 1253 1 7 . 1 1 11 11 SER N N 11 116.602 116.602 115.851 0.751 25872 1254 1 7 . 1 1 11 11 SER HA H 11 4.339 4.339 4.219 0.120 25872 1255 1 7 . 1 1 11 11 SER C C 11 172.929 172.929 176.420 -3.491 25872 1256 1 7 . 1 1 11 11 SER CA C 11 58.493 58.493 61.449 -2.956 25872 1257 1 7 . 1 1 11 11 SER CB C 11 60.928 60.928 62.508 -1.580 25872 1258 1 7 . 1 1 11 11 SER H H 11 8.180 8.180 8.399 -0.219 25872 1259 1 7 . 1 1 12 12 VAL N N 12 121.016 121.016 123.263 -2.247 25872 1260 1 7 . 1 1 12 12 VAL HA H 12 3.728 3.728 3.786 -0.058 25872 1261 1 7 . 1 1 12 12 VAL C C 12 174.197 174.197 177.604 -3.407 25872 1262 1 7 . 1 1 12 12 VAL CA C 12 63.881 63.881 65.405 -1.524 25872 1263 1 7 . 1 1 12 12 VAL CB C 12 29.115 29.115 31.346 -2.231 25872 1264 1 7 . 1 1 12 12 VAL H H 12 8.356 8.356 7.827 0.529 25872 1265 1 7 . 1 1 13 13 ALA N N 13 121.087 121.087 121.780 -0.693 25872 1266 1 7 . 1 1 13 13 ALA HA H 13 4.066 4.066 4.063 0.003 25872 1267 1 7 . 1 1 13 13 ALA C C 13 176.105 176.105 180.000 -3.895 25872 1268 1 7 . 1 1 13 13 ALA CA C 13 53.461 53.461 55.154 -1.693 25872 1269 1 7 . 1 1 13 13 ALA CB C 13 16.246 16.246 18.185 -1.939 25872 1270 1 7 . 1 1 13 13 ALA H H 13 8.162 8.162 7.510 0.652 25872 1271 1 7 . 1 1 14 14 VAL N N 14 115.686 115.686 119.096 -3.410 25872 1272 1 7 . 1 1 14 14 VAL HA H 14 3.669 3.669 3.518 0.151 25872 1273 1 7 . 1 1 14 14 VAL C C 14 175.247 175.247 178.046 -2.799 25872 1274 1 7 . 1 1 14 14 VAL CA C 14 64.315 64.315 67.496 -3.180 25872 1275 1 7 . 1 1 14 14 VAL CB C 14 29.199 29.199 31.720 -2.521 25872 1276 1 7 . 1 1 14 14 VAL H H 14 8.175 8.175 8.585 -0.410 25872 1277 1 7 . 1 1 15 15 GLY N N 15 106.431 106.431 107.548 -1.117 25872 1278 1 7 . 1 1 15 15 GLY C C 15 172.266 172.266 176.067 -3.801 25872 1279 1 7 . 1 1 15 15 GLY CA C 15 45.494 45.494 47.206 -1.712 25872 1280 1 7 . 1 1 15 15 GLY H H 15 8.465 8.465 7.860 0.605 25872 1281 1 7 . 1 1 16 16 LEU N N 16 120.605 120.605 122.823 -2.218 25872 1282 1 7 . 1 1 16 16 LEU HA H 16 4.222 4.222 3.878 0.344 25872 1283 1 7 . 1 1 16 16 LEU C C 16 175.676 175.676 178.983 -3.307 25872 1284 1 7 . 1 1 16 16 LEU CA C 16 55.691 55.691 57.768 -2.077 25872 1285 1 7 . 1 1 16 16 LEU CB C 16 39.529 39.529 41.752 -2.223 25872 1286 1 7 . 1 1 16 16 LEU H H 16 8.764 8.764 8.252 0.512 25872 1287 1 7 . 1 1 17 17 ALA N N 17 121.535 121.535 121.698 -0.163 25872 1288 1 7 . 1 1 17 17 ALA HA H 17 4.127 4.127 3.964 0.163 25872 1289 1 7 . 1 1 17 17 ALA C C 17 176.892 176.892 179.650 -2.758 25872 1290 1 7 . 1 1 17 17 ALA CA C 17 53.317 53.317 55.394 -2.077 25872 1291 1 7 . 1 1 17 17 ALA CB C 17 15.647 15.647 18.026 -2.379 25872 1292 1 7 . 1 1 17 17 ALA H H 17 8.315 8.315 7.917 0.398 25872 1293 1 7 . 1 1 18 18 VAL N N 18 118.055 118.055 119.046 -0.991 25872 1294 1 7 . 1 1 18 18 VAL HA H 18 3.592 3.592 3.652 -0.060 25872 1295 1 7 . 1 1 18 18 VAL C C 18 175.271 175.271 178.094 -2.823 25872 1296 1 7 . 1 1 18 18 VAL CA C 18 64.999 64.999 65.839 -0.840 25872 1297 1 7 . 1 1 18 18 VAL CB C 18 28.838 28.838 31.044 -2.206 25872 1298 1 7 . 1 1 18 18 VAL H H 18 8.687 8.687 7.920 0.767 25872 1299 1 7 . 1 1 19 19 PHE N N 19 119.235 119.235 120.113 -0.878 25872 1300 1 7 . 1 1 19 19 PHE HA H 19 4.167 4.167 4.021 0.146 25872 1301 1 7 . 1 1 19 19 PHE C C 19 174.197 174.197 177.144 -2.947 25872 1302 1 7 . 1 1 19 19 PHE CA C 19 59.852 59.852 62.301 -2.449 25872 1303 1 7 . 1 1 19 19 PHE CB C 19 36.490 36.490 38.826 -2.336 25872 1304 1 7 . 1 1 19 19 PHE H H 19 8.622 8.622 8.114 0.508 25872 1305 1 7 . 1 1 20 20 ALA N N 20 120.852 120.852 121.684 -0.832 25872 1306 1 7 . 1 1 20 20 ALA HA H 20 3.936 3.936 4.136 -0.200 25872 1307 1 7 . 1 1 20 20 ALA C C 20 176.558 176.558 179.436 -2.878 25872 1308 1 7 . 1 1 20 20 ALA CA C 20 53.352 53.352 55.408 -2.056 25872 1309 1 7 . 1 1 20 20 ALA CB C 20 15.324 15.324 17.994 -2.670 25872 1310 1 7 . 1 1 20 20 ALA H H 20 9.059 9.059 8.548 0.511 25872 1311 1 7 . 1 1 21 21 CYS N N 21 115.298 115.298 118.062 -2.764 25872 1312 1 7 . 1 1 21 21 CYS HA H 21 4.141 4.141 4.096 0.045 25872 1313 1 7 . 1 1 21 21 CYS CA C 21 61.968 61.968 64.587 -2.619 25872 1314 1 7 . 1 1 21 21 CYS H H 21 8.311 8.311 8.483 -0.172 25872 1315 1 7 . 1 1 22 22 LEU N N 22 122.447 122.447 120.774 1.673 25872 1316 1 7 . 1 1 22 22 LEU HA H 22 4.077 4.077 3.902 0.175 25872 1317 1 7 . 1 1 22 22 LEU C C 22 176.153 176.153 178.657 -2.504 25872 1318 1 7 . 1 1 22 22 LEU CA C 22 55.797 55.797 57.917 -2.120 25872 1319 1 7 . 1 1 22 22 LEU CB C 22 39.312 39.312 41.667 -2.355 25872 1320 1 7 . 1 1 22 22 LEU H H 22 8.607 8.607 7.789 0.818 25872 1321 1 7 . 1 1 23 23 PHE N N 23 122.153 122.153 120.393 1.760 25872 1322 1 7 . 1 1 23 23 PHE HA H 23 4.041 4.041 4.076 -0.035 25872 1323 1 7 . 1 1 23 23 PHE C C 23 173.959 173.959 177.457 -3.498 25872 1324 1 7 . 1 1 23 23 PHE CA C 23 59.055 59.055 60.524 -1.469 25872 1325 1 7 . 1 1 23 23 PHE CB C 23 36.704 36.704 38.639 -1.935 25872 1326 1 7 . 1 1 23 23 PHE H H 23 8.998 8.998 7.923 1.075 25872 1327 1 7 . 1 1 24 24 LEU N N 24 118.082 118.082 118.039 0.043 25872 1328 1 7 . 1 1 24 24 LEU HA H 24 3.896 3.896 3.617 0.279 25872 1329 1 7 . 1 1 24 24 LEU C C 24 175.915 175.915 178.964 -3.049 25872 1330 1 7 . 1 1 24 24 LEU CA C 24 55.787 55.787 57.866 -2.079 25872 1331 1 7 . 1 1 24 24 LEU CB C 24 39.488 39.488 41.499 -2.011 25872 1332 1 7 . 1 1 24 24 LEU H H 24 8.653 8.653 8.111 0.542 25872 1333 1 7 . 1 1 25 25 SER N N 25 113.414 113.414 115.711 -2.297 25872 1334 1 7 . 1 1 25 25 SER HA H 25 4.080 4.080 4.222 -0.142 25872 1335 1 7 . 1 1 25 25 SER C C 25 172.719 172.719 176.654 -3.935 25872 1336 1 7 . 1 1 25 25 SER CA C 25 61.220 61.220 62.417 -1.198 25872 1337 1 7 . 1 1 25 25 SER CB C 25 60.568 60.568 62.917 -2.349 25872 1338 1 7 . 1 1 25 25 SER H H 25 8.172 8.172 7.959 0.213 25872 1339 1 7 . 1 1 26 26 THR N N 26 117.783 117.783 120.033 -2.250 25872 1340 1 7 . 1 1 26 26 THR HA H 26 3.787 3.787 4.003 -0.216 25872 1341 1 7 . 1 1 26 26 THR C C 26 175.676 175.676 176.413 -0.737 25872 1342 1 7 . 1 1 26 26 THR CA C 26 65.563 65.563 67.370 -1.807 25872 1343 1 7 . 1 1 26 26 THR CB C 26 65.262 65.262 68.940 -3.678 25872 1344 1 7 . 1 1 26 26 THR H H 26 7.845 7.845 8.303 -0.458 25872 1345 1 7 . 1 1 27 27 LEU N N 27 121.022 121.022 121.864 -0.842 25872 1346 1 7 . 1 1 27 27 LEU HA H 27 3.891 3.891 3.920 -0.029 25872 1347 1 7 . 1 1 27 27 LEU C C 27 175.676 175.676 178.660 -2.984 25872 1348 1 7 . 1 1 27 27 LEU CA C 27 55.991 55.991 58.177 -2.186 25872 1349 1 7 . 1 1 27 27 LEU CB C 27 39.194 39.194 41.284 -2.090 25872 1350 1 7 . 1 1 27 27 LEU H H 27 8.053 8.053 7.848 0.205 25872 1351 1 7 . 1 1 28 28 LEU N N 28 117.328 117.328 118.716 -1.388 25872 1352 1 7 . 1 1 28 28 LEU HA H 28 4.040 4.040 3.844 0.196 25872 1353 1 7 . 1 1 28 28 LEU C C 28 176.439 176.439 179.328 -2.889 25872 1354 1 7 . 1 1 28 28 LEU CA C 28 55.847 55.847 57.959 -2.112 25872 1355 1 7 . 1 1 28 28 LEU CB C 28 39.186 39.186 41.602 -2.416 25872 1356 1 7 . 1 1 28 28 LEU H H 28 8.206 8.206 7.633 0.573 25872 1357 1 7 . 1 1 29 29 LEU N N 29 119.596 119.596 118.975 0.621 25872 1358 1 7 . 1 1 29 29 LEU HA H 29 4.173 4.173 3.868 0.305 25872 1359 1 7 . 1 1 29 29 LEU C C 29 176.773 176.773 179.183 -2.410 25872 1360 1 7 . 1 1 29 29 LEU CA C 29 55.943 55.943 58.013 -2.070 25872 1361 1 7 . 1 1 29 29 LEU CB C 29 39.593 39.593 41.622 -2.029 25872 1362 1 7 . 1 1 29 29 LEU H H 29 8.121 8.121 7.656 0.465 25872 1363 1 7 . 1 1 30 30 VAL N N 30 118.438 118.438 119.427 -0.989 25872 1364 1 7 . 1 1 30 30 VAL HA H 30 3.743 3.743 3.585 0.158 25872 1365 1 7 . 1 1 30 30 VAL C C 30 175.294 175.294 178.372 -3.078 25872 1366 1 7 . 1 1 30 30 VAL CA C 30 64.164 64.164 66.452 -2.288 25872 1367 1 7 . 1 1 30 30 VAL CB C 30 29.137 29.137 31.115 -1.978 25872 1368 1 7 . 1 1 30 30 VAL H H 30 8.429 8.429 8.055 0.374 25872 1369 1 7 . 1 1 31 31 LEU N N 31 119.064 119.064 120.342 -1.278 25872 1370 1 7 . 1 1 31 31 LEU HA H 31 4.158 4.158 3.912 0.246 25872 1371 1 7 . 1 1 31 31 LEU C C 31 176.058 176.058 179.071 -3.013 25872 1372 1 7 . 1 1 31 31 LEU CA C 31 55.204 55.204 58.212 -3.008 25872 1373 1 7 . 1 1 31 31 LEU CB C 31 39.340 39.340 41.670 -2.330 25872 1374 1 7 . 1 1 31 31 LEU H H 31 8.552 8.552 8.559 -0.007 25872 1375 1 7 . 1 1 32 32 ASN HA H 32 4.632 4.632 4.522 0.110 25872 1376 1 7 . 1 1 32 32 ASN H H 32 8.148 8.148 7.980 0.168 25872 1377 1 7 . 1 1 33 33 LYS N N 33 118.261 118.261 119.889 -1.628 25872 1378 1 7 . 1 1 33 33 LYS HA H 33 4.334 4.334 4.252 0.082 25872 1379 1 7 . 1 1 33 33 LYS C C 33 174.722 174.722 177.375 -2.653 25872 1380 1 7 . 1 1 33 33 LYS CA C 33 54.918 54.918 56.514 -1.596 25872 1381 1 7 . 1 1 33 33 LYS CB C 33 30.315 30.315 32.651 -2.336 25872 1382 1 7 . 1 1 33 33 LYS H H 33 8.074 8.074 8.128 -0.054 25872 1383 1 7 . 1 1 34 34 ALA N N 34 120.974 120.974 121.790 -0.816 25872 1384 1 7 . 1 1 34 34 ALA HA H 34 4.381 4.381 4.373 0.008 25872 1385 1 7 . 1 1 34 34 ALA C C 34 175.557 175.557 177.434 -1.877 25872 1386 1 7 . 1 1 34 34 ALA CA C 34 50.859 50.859 52.389 -1.530 25872 1387 1 7 . 1 1 34 34 ALA CB C 34 16.769 16.769 16.927 -0.158 25872 1388 1 7 . 1 1 34 34 ALA H H 34 8.344 8.344 7.648 0.696 25872 1389 1 7 . 1 1 35 35 GLY N N 35 105.444 105.444 109.594 -4.150 25872 1390 1 7 . 1 1 35 35 GLY C C 35 171.431 171.431 174.299 -2.868 25872 1391 1 7 . 1 1 35 35 GLY CA C 35 43.302 43.302 45.275 -1.973 25872 1392 1 7 . 1 1 35 35 GLY H H 35 8.192 8.192 8.303 -0.111 25872 1393 1 7 . 1 1 36 36 ARG N N 36 119.296 119.296 121.565 -2.269 25872 1394 1 7 . 1 1 36 36 ARG HA H 36 4.474 4.474 4.510 -0.036 25872 1395 1 7 . 1 1 36 36 ARG C C 36 173.530 173.530 175.994 -2.464 25872 1396 1 7 . 1 1 36 36 ARG CA C 36 53.566 53.566 55.481 -1.915 25872 1397 1 7 . 1 1 36 36 ARG CB C 36 28.281 28.281 31.161 -2.880 25872 1398 1 7 . 1 1 36 36 ARG H H 36 7.991 7.991 8.288 -0.297 25872 1399 1 7 . 1 1 37 37 ARG N N 37 120.950 120.950 122.337 -1.387 25872 1400 1 7 . 1 1 37 37 ARG HA H 37 4.460 4.460 4.278 0.182 25872 1401 1 7 . 1 1 37 37 ARG C C 37 173.411 173.411 176.076 -2.665 25872 1402 1 7 . 1 1 37 37 ARG CA C 37 53.772 53.772 55.977 -2.205 25872 1403 1 7 . 1 1 37 37 ARG CB C 37 28.416 28.416 30.990 -2.574 25872 1404 1 7 . 1 1 37 37 ARG H H 37 8.320 8.320 8.423 -0.103 25872 1405 1 7 . 1 1 38 38 ASN HA H 38 4.806 4.806 4.748 0.058 25872 1406 1 7 . 1 1 38 38 ASN C C 38 171.383 171.383 174.877 -3.494 25872 1407 1 7 . 1 1 38 38 ASN CA C 38 51.070 51.070 52.905 -1.835 25872 1408 1 8 . 1 1 2 2 LYS N N 2 123.102 123.102 120.833 2.269 25872 1409 1 8 . 1 1 2 2 LYS H H 2 8.483 8.483 8.549 -0.066 25872 1410 1 8 . 1 1 3 3 LYS N N 3 123.206 123.206 119.456 3.750 25872 1411 1 8 . 1 1 3 3 LYS HA H 3 4.364 4.364 4.507 -0.143 25872 1412 1 8 . 1 1 3 3 LYS C C 3 173.506 173.506 175.020 -1.514 25872 1413 1 8 . 1 1 3 3 LYS CA C 3 54.569 54.569 55.564 -0.995 25872 1414 1 8 . 1 1 3 3 LYS CB C 3 30.685 30.685 33.837 -3.152 25872 1415 1 8 . 1 1 3 3 LYS H H 3 8.609 8.609 7.862 0.747 25872 1416 1 8 . 1 1 4 4 ASP N N 4 120.271 120.271 122.792 -2.521 25872 1417 1 8 . 1 1 4 4 ASP HA H 4 4.706 4.706 4.845 -0.139 25872 1418 1 8 . 1 1 4 4 ASP C C 4 173.339 173.339 175.424 -2.085 25872 1419 1 8 . 1 1 4 4 ASP CA C 4 52.055 52.055 54.411 -2.356 25872 1420 1 8 . 1 1 4 4 ASP CB C 4 38.662 38.662 42.004 -3.342 25872 1421 1 8 . 1 1 4 4 ASP H H 4 8.420 8.420 8.544 -0.124 25872 1422 1 8 . 1 1 5 5 GLU N N 5 120.404 120.404 122.591 -2.187 25872 1423 1 8 . 1 1 5 5 GLU HA H 5 4.516 4.516 4.627 -0.111 25872 1424 1 8 . 1 1 5 5 GLU C C 5 173.506 173.506 175.794 -2.288 25872 1425 1 8 . 1 1 5 5 GLU CA C 5 53.808 53.808 57.123 -3.315 25872 1426 1 8 . 1 1 5 5 GLU CB C 5 28.434 28.434 30.934 -2.500 25872 1427 1 8 . 1 1 5 5 GLU H H 5 8.177 8.177 8.962 -0.785 25872 1428 1 8 . 1 1 6 6 THR N N 6 117.433 117.433 113.019 4.414 25872 1429 1 8 . 1 1 6 6 THR HA H 6 4.649 4.649 4.534 0.115 25872 1430 1 8 . 1 1 6 6 THR C C 6 170.644 170.644 171.753 -1.109 25872 1431 1 8 . 1 1 6 6 THR CA C 6 57.823 57.823 58.816 -0.993 25872 1432 1 8 . 1 1 6 6 THR CB C 6 67.184 67.184 70.084 -2.900 25872 1433 1 8 . 1 1 6 6 THR H H 6 8.314 8.314 7.573 0.741 25872 1434 1 8 . 1 1 7 7 PRO HA H 7 4.569 4.569 4.340 0.229 25872 1435 1 8 . 1 1 7 7 PRO C C 7 173.983 173.983 175.207 -1.224 25872 1436 1 8 . 1 1 7 7 PRO CA C 7 60.843 60.843 62.861 -2.018 25872 1437 1 8 . 1 1 7 7 PRO CB C 7 29.556 29.556 31.865 -2.309 25872 1438 1 8 . 1 1 8 8 PHE N N 8 119.597 119.597 121.786 -2.189 25872 1439 1 8 . 1 1 8 8 PHE HA H 8 4.612 4.612 4.607 0.005 25872 1440 1 8 . 1 1 8 8 PHE C C 8 173.291 173.291 175.656 -2.365 25872 1441 1 8 . 1 1 8 8 PHE CA C 8 56.320 56.320 58.114 -1.794 25872 1442 1 8 . 1 1 8 8 PHE CB C 8 37.156 37.156 40.563 -3.407 25872 1443 1 8 . 1 1 8 8 PHE H H 8 8.381 8.381 8.081 0.300 25872 1444 1 8 . 1 1 9 9 GLY N N 9 107.586 107.586 113.928 -6.342 25872 1445 1 8 . 1 1 9 9 GLY C C 9 171.741 171.741 175.007 -3.266 25872 1446 1 8 . 1 1 9 9 GLY CA C 9 43.719 43.719 44.695 -0.976 25872 1447 1 8 . 1 1 9 9 GLY H H 9 8.557 8.557 8.335 0.222 25872 1448 1 8 . 1 1 10 10 VAL N N 10 118.248 118.248 124.951 -6.703 25872 1449 1 8 . 1 1 10 10 VAL HA H 10 3.984 3.984 3.854 0.130 25872 1450 1 8 . 1 1 10 10 VAL C C 10 173.124 173.124 177.238 -4.114 25872 1451 1 8 . 1 1 10 10 VAL CA C 10 62.233 62.233 64.690 -2.457 25872 1452 1 8 . 1 1 10 10 VAL CB C 10 30.351 30.351 32.041 -1.690 25872 1453 1 8 . 1 1 10 10 VAL H H 10 7.970 7.970 8.404 -0.434 25872 1454 1 8 . 1 1 11 11 SER N N 11 116.602 116.602 116.070 0.532 25872 1455 1 8 . 1 1 11 11 SER HA H 11 4.339 4.339 4.243 0.096 25872 1456 1 8 . 1 1 11 11 SER C C 11 172.929 172.929 176.648 -3.719 25872 1457 1 8 . 1 1 11 11 SER CA C 11 58.493 58.493 61.648 -3.155 25872 1458 1 8 . 1 1 11 11 SER CB C 11 60.928 60.928 62.520 -1.592 25872 1459 1 8 . 1 1 11 11 SER H H 11 8.180 8.180 8.439 -0.259 25872 1460 1 8 . 1 1 12 12 VAL N N 12 121.016 121.016 120.943 0.073 25872 1461 1 8 . 1 1 12 12 VAL HA H 12 3.728 3.728 3.734 -0.006 25872 1462 1 8 . 1 1 12 12 VAL C C 12 174.197 174.197 177.172 -2.975 25872 1463 1 8 . 1 1 12 12 VAL CA C 12 63.881 63.881 65.642 -1.761 25872 1464 1 8 . 1 1 12 12 VAL CB C 12 29.115 29.115 31.505 -2.390 25872 1465 1 8 . 1 1 12 12 VAL H H 12 8.356 8.356 7.923 0.433 25872 1466 1 8 . 1 1 13 13 ALA N N 13 121.087 121.087 122.008 -0.921 25872 1467 1 8 . 1 1 13 13 ALA HA H 13 4.066 4.066 4.076 -0.010 25872 1468 1 8 . 1 1 13 13 ALA C C 13 176.105 176.105 179.870 -3.765 25872 1469 1 8 . 1 1 13 13 ALA CA C 13 53.461 53.461 55.055 -1.594 25872 1470 1 8 . 1 1 13 13 ALA CB C 13 16.246 16.246 18.248 -2.002 25872 1471 1 8 . 1 1 13 13 ALA H H 13 8.162 8.162 7.484 0.678 25872 1472 1 8 . 1 1 14 14 VAL N N 14 115.686 115.686 119.178 -3.492 25872 1473 1 8 . 1 1 14 14 VAL HA H 14 3.669 3.669 3.508 0.161 25872 1474 1 8 . 1 1 14 14 VAL C C 14 175.247 175.247 178.025 -2.778 25872 1475 1 8 . 1 1 14 14 VAL CA C 14 64.315 64.315 66.962 -2.647 25872 1476 1 8 . 1 1 14 14 VAL CB C 14 29.199 29.199 31.614 -2.415 25872 1477 1 8 . 1 1 14 14 VAL H H 14 8.175 8.175 8.546 -0.371 25872 1478 1 8 . 1 1 15 15 GLY N N 15 106.431 106.431 107.625 -1.194 25872 1479 1 8 . 1 1 15 15 GLY C C 15 172.266 172.266 176.093 -3.827 25872 1480 1 8 . 1 1 15 15 GLY CA C 15 45.494 45.494 47.252 -1.758 25872 1481 1 8 . 1 1 15 15 GLY H H 15 8.465 8.465 7.770 0.695 25872 1482 1 8 . 1 1 16 16 LEU N N 16 120.605 120.605 122.745 -2.140 25872 1483 1 8 . 1 1 16 16 LEU HA H 16 4.222 4.222 3.969 0.253 25872 1484 1 8 . 1 1 16 16 LEU C C 16 175.676 175.676 179.084 -3.408 25872 1485 1 8 . 1 1 16 16 LEU CA C 16 55.691 55.691 57.842 -2.151 25872 1486 1 8 . 1 1 16 16 LEU CB C 16 39.529 39.529 41.786 -2.257 25872 1487 1 8 . 1 1 16 16 LEU H H 16 8.764 8.764 7.999 0.765 25872 1488 1 8 . 1 1 17 17 ALA N N 17 121.535 121.535 121.796 -0.261 25872 1489 1 8 . 1 1 17 17 ALA HA H 17 4.127 4.127 3.990 0.137 25872 1490 1 8 . 1 1 17 17 ALA C C 17 176.892 176.892 179.615 -2.723 25872 1491 1 8 . 1 1 17 17 ALA CA C 17 53.317 53.317 55.366 -2.049 25872 1492 1 8 . 1 1 17 17 ALA CB C 17 15.647 15.647 18.048 -2.401 25872 1493 1 8 . 1 1 17 17 ALA H H 17 8.315 8.315 7.973 0.342 25872 1494 1 8 . 1 1 18 18 VAL N N 18 118.055 118.055 119.415 -1.360 25872 1495 1 8 . 1 1 18 18 VAL HA H 18 3.592 3.592 3.647 -0.055 25872 1496 1 8 . 1 1 18 18 VAL C C 18 175.271 175.271 178.128 -2.857 25872 1497 1 8 . 1 1 18 18 VAL CA C 18 64.999 64.999 65.905 -0.906 25872 1498 1 8 . 1 1 18 18 VAL CB C 18 28.838 28.838 30.949 -2.111 25872 1499 1 8 . 1 1 18 18 VAL H H 18 8.687 8.687 8.053 0.634 25872 1500 1 8 . 1 1 19 19 PHE N N 19 119.235 119.235 120.058 -0.823 25872 1501 1 8 . 1 1 19 19 PHE HA H 19 4.167 4.167 4.057 0.110 25872 1502 1 8 . 1 1 19 19 PHE C C 19 174.197 174.197 177.213 -3.016 25872 1503 1 8 . 1 1 19 19 PHE CA C 19 59.852 59.852 61.210 -1.358 25872 1504 1 8 . 1 1 19 19 PHE CB C 19 36.490 36.490 38.443 -1.953 25872 1505 1 8 . 1 1 19 19 PHE H H 19 8.622 8.622 8.111 0.511 25872 1506 1 8 . 1 1 20 20 ALA N N 20 120.852 120.852 121.734 -0.882 25872 1507 1 8 . 1 1 20 20 ALA HA H 20 3.936 3.936 4.168 -0.232 25872 1508 1 8 . 1 1 20 20 ALA C C 20 176.558 176.558 179.514 -2.956 25872 1509 1 8 . 1 1 20 20 ALA CA C 20 53.352 53.352 55.483 -2.131 25872 1510 1 8 . 1 1 20 20 ALA CB C 20 15.324 15.324 18.061 -2.737 25872 1511 1 8 . 1 1 20 20 ALA H H 20 9.059 9.059 8.298 0.761 25872 1512 1 8 . 1 1 21 21 CYS N N 21 115.298 115.298 118.055 -2.757 25872 1513 1 8 . 1 1 21 21 CYS HA H 21 4.141 4.141 4.089 0.052 25872 1514 1 8 . 1 1 21 21 CYS CA C 21 61.968 61.968 64.685 -2.717 25872 1515 1 8 . 1 1 21 21 CYS H H 21 8.311 8.311 8.565 -0.254 25872 1516 1 8 . 1 1 22 22 LEU N N 22 122.447 122.447 120.614 1.833 25872 1517 1 8 . 1 1 22 22 LEU HA H 22 4.077 4.077 4.015 0.062 25872 1518 1 8 . 1 1 22 22 LEU C C 22 176.153 176.153 179.187 -3.034 25872 1519 1 8 . 1 1 22 22 LEU CA C 22 55.797 55.797 58.107 -2.310 25872 1520 1 8 . 1 1 22 22 LEU CB C 22 39.312 39.312 41.882 -2.570 25872 1521 1 8 . 1 1 22 22 LEU H H 22 8.607 8.607 7.981 0.626 25872 1522 1 8 . 1 1 23 23 PHE N N 23 122.153 122.153 120.785 1.368 25872 1523 1 8 . 1 1 23 23 PHE HA H 23 4.041 4.041 4.268 -0.227 25872 1524 1 8 . 1 1 23 23 PHE C C 23 173.959 173.959 177.314 -3.355 25872 1525 1 8 . 1 1 23 23 PHE CA C 23 59.055 59.055 59.642 -0.587 25872 1526 1 8 . 1 1 23 23 PHE CB C 23 36.704 36.704 38.610 -1.906 25872 1527 1 8 . 1 1 23 23 PHE H H 23 8.998 8.998 8.092 0.906 25872 1528 1 8 . 1 1 24 24 LEU N N 24 118.082 118.082 118.402 -0.320 25872 1529 1 8 . 1 1 24 24 LEU HA H 24 3.896 3.896 3.694 0.202 25872 1530 1 8 . 1 1 24 24 LEU C C 24 175.915 175.915 178.941 -3.026 25872 1531 1 8 . 1 1 24 24 LEU CA C 24 55.787 55.787 57.784 -1.997 25872 1532 1 8 . 1 1 24 24 LEU CB C 24 39.488 39.488 41.501 -2.013 25872 1533 1 8 . 1 1 24 24 LEU H H 24 8.653 8.653 8.480 0.173 25872 1534 1 8 . 1 1 25 25 SER N N 25 113.414 113.414 115.726 -2.312 25872 1535 1 8 . 1 1 25 25 SER HA H 25 4.080 4.080 4.290 -0.210 25872 1536 1 8 . 1 1 25 25 SER C C 25 172.719 172.719 176.598 -3.879 25872 1537 1 8 . 1 1 25 25 SER CA C 25 61.220 61.220 62.378 -1.158 25872 1538 1 8 . 1 1 25 25 SER CB C 25 60.568 60.568 62.960 -2.392 25872 1539 1 8 . 1 1 25 25 SER H H 25 8.172 8.172 8.017 0.155 25872 1540 1 8 . 1 1 26 26 THR N N 26 117.783 117.783 120.399 -2.616 25872 1541 1 8 . 1 1 26 26 THR HA H 26 3.787 3.787 4.080 -0.293 25872 1542 1 8 . 1 1 26 26 THR C C 26 175.676 175.676 176.263 -0.587 25872 1543 1 8 . 1 1 26 26 THR CA C 26 65.563 65.563 67.345 -1.782 25872 1544 1 8 . 1 1 26 26 THR CB C 26 65.262 65.262 68.934 -3.672 25872 1545 1 8 . 1 1 26 26 THR H H 26 7.845 7.845 8.199 -0.354 25872 1546 1 8 . 1 1 27 27 LEU N N 27 121.022 121.022 121.852 -0.830 25872 1547 1 8 . 1 1 27 27 LEU HA H 27 3.891 3.891 3.993 -0.102 25872 1548 1 8 . 1 1 27 27 LEU C C 27 175.676 175.676 178.487 -2.811 25872 1549 1 8 . 1 1 27 27 LEU CA C 27 55.991 55.991 58.409 -2.418 25872 1550 1 8 . 1 1 27 27 LEU CB C 27 39.194 39.194 41.371 -2.178 25872 1551 1 8 . 1 1 27 27 LEU H H 27 8.053 8.053 7.840 0.213 25872 1552 1 8 . 1 1 28 28 LEU N N 28 117.328 117.328 118.571 -1.243 25872 1553 1 8 . 1 1 28 28 LEU HA H 28 4.040 4.040 3.897 0.143 25872 1554 1 8 . 1 1 28 28 LEU C C 28 176.439 176.439 179.394 -2.955 25872 1555 1 8 . 1 1 28 28 LEU CA C 28 55.847 55.847 57.776 -1.929 25872 1556 1 8 . 1 1 28 28 LEU CB C 28 39.186 39.186 41.531 -2.345 25872 1557 1 8 . 1 1 28 28 LEU H H 28 8.206 8.206 7.649 0.557 25872 1558 1 8 . 1 1 29 29 LEU N N 29 119.596 119.596 119.461 0.135 25872 1559 1 8 . 1 1 29 29 LEU HA H 29 4.173 4.173 3.906 0.267 25872 1560 1 8 . 1 1 29 29 LEU C C 29 176.773 176.773 178.934 -2.161 25872 1561 1 8 . 1 1 29 29 LEU CA C 29 55.943 55.943 58.059 -2.116 25872 1562 1 8 . 1 1 29 29 LEU CB C 29 39.593 39.593 41.736 -2.143 25872 1563 1 8 . 1 1 29 29 LEU H H 29 8.121 8.121 7.643 0.478 25872 1564 1 8 . 1 1 30 30 VAL N N 30 118.438 118.438 119.549 -1.111 25872 1565 1 8 . 1 1 30 30 VAL HA H 30 3.743 3.743 3.582 0.161 25872 1566 1 8 . 1 1 30 30 VAL C C 30 175.294 175.294 177.960 -2.666 25872 1567 1 8 . 1 1 30 30 VAL CA C 30 64.164 64.164 67.166 -3.002 25872 1568 1 8 . 1 1 30 30 VAL CB C 30 29.137 29.137 31.364 -2.227 25872 1569 1 8 . 1 1 30 30 VAL H H 30 8.429 8.429 8.103 0.326 25872 1570 1 8 . 1 1 31 31 LEU N N 31 119.064 119.064 118.607 0.457 25872 1571 1 8 . 1 1 31 31 LEU HA H 31 4.158 4.158 3.944 0.214 25872 1572 1 8 . 1 1 31 31 LEU C C 31 176.058 176.058 179.187 -3.129 25872 1573 1 8 . 1 1 31 31 LEU CA C 31 55.204 55.204 57.661 -2.457 25872 1574 1 8 . 1 1 31 31 LEU CB C 31 39.340 39.340 41.147 -1.807 25872 1575 1 8 . 1 1 31 31 LEU H H 31 8.552 8.552 8.267 0.285 25872 1576 1 8 . 1 1 32 32 ASN HA H 32 4.632 4.632 4.547 0.085 25872 1577 1 8 . 1 1 32 32 ASN H H 32 8.148 8.148 7.808 0.340 25872 1578 1 8 . 1 1 33 33 LYS N N 33 118.261 118.261 119.836 -1.575 25872 1579 1 8 . 1 1 33 33 LYS HA H 33 4.334 4.334 4.201 0.133 25872 1580 1 8 . 1 1 33 33 LYS C C 33 174.722 174.722 176.057 -1.335 25872 1581 1 8 . 1 1 33 33 LYS CA C 33 54.918 54.918 57.729 -2.811 25872 1582 1 8 . 1 1 33 33 LYS CB C 33 30.315 30.315 33.671 -3.356 25872 1583 1 8 . 1 1 33 33 LYS H H 33 8.074 8.074 7.904 0.170 25872 1584 1 8 . 1 1 34 34 ALA N N 34 120.974 120.974 120.641 0.333 25872 1585 1 8 . 1 1 34 34 ALA HA H 34 4.381 4.381 4.543 -0.162 25872 1586 1 8 . 1 1 34 34 ALA C C 34 175.557 175.557 175.459 0.098 25872 1587 1 8 . 1 1 34 34 ALA CA C 34 50.859 50.859 52.384 -1.525 25872 1588 1 8 . 1 1 34 34 ALA CB C 34 16.769 16.769 20.503 -3.734 25872 1589 1 8 . 1 1 34 34 ALA H H 34 8.344 8.344 8.089 0.255 25872 1590 1 8 . 1 1 35 35 GLY N N 35 105.444 105.444 109.940 -4.496 25872 1591 1 8 . 1 1 35 35 GLY C C 35 171.431 171.431 173.258 -1.827 25872 1592 1 8 . 1 1 35 35 GLY CA C 35 43.302 43.302 45.374 -2.072 25872 1593 1 8 . 1 1 35 35 GLY H H 35 8.192 8.192 8.110 0.082 25872 1594 1 8 . 1 1 36 36 ARG N N 36 119.296 119.296 123.110 -3.814 25872 1595 1 8 . 1 1 36 36 ARG HA H 36 4.474 4.474 4.389 0.085 25872 1596 1 8 . 1 1 36 36 ARG C C 36 173.530 173.530 176.048 -2.518 25872 1597 1 8 . 1 1 36 36 ARG CA C 36 53.566 53.566 55.960 -2.394 25872 1598 1 8 . 1 1 36 36 ARG CB C 36 28.281 28.281 31.275 -2.994 25872 1599 1 8 . 1 1 36 36 ARG H H 36 7.991 7.991 8.406 -0.415 25872 1600 1 8 . 1 1 37 37 ARG N N 37 120.950 120.950 123.981 -3.031 25872 1601 1 8 . 1 1 37 37 ARG HA H 37 4.460 4.460 4.491 -0.031 25872 1602 1 8 . 1 1 37 37 ARG C C 37 173.411 173.411 175.709 -2.298 25872 1603 1 8 . 1 1 37 37 ARG CA C 37 53.772 53.772 55.799 -2.027 25872 1604 1 8 . 1 1 37 37 ARG CB C 37 28.416 28.416 30.981 -2.565 25872 1605 1 8 . 1 1 37 37 ARG H H 37 8.320 8.320 8.561 -0.241 25872 1606 1 8 . 1 1 38 38 ASN HA H 38 4.806 4.806 4.912 -0.106 25872 1607 1 8 . 1 1 38 38 ASN C C 38 171.383 171.383 175.159 -3.776 25872 1608 1 8 . 1 1 38 38 ASN CA C 38 51.070 51.070 53.258 -2.188 25872 1609 1 9 . 1 1 2 2 LYS N N 2 123.102 123.102 122.726 0.376 25872 1610 1 9 . 1 1 2 2 LYS H H 2 8.483 8.483 8.450 0.033 25872 1611 1 9 . 1 1 3 3 LYS N N 3 123.206 123.206 121.981 1.225 25872 1612 1 9 . 1 1 3 3 LYS HA H 3 4.364 4.364 4.579 -0.215 25872 1613 1 9 . 1 1 3 3 LYS C C 3 173.506 173.506 175.173 -1.667 25872 1614 1 9 . 1 1 3 3 LYS CA C 3 54.569 54.569 55.664 -1.095 25872 1615 1 9 . 1 1 3 3 LYS CB C 3 30.685 30.685 34.562 -3.877 25872 1616 1 9 . 1 1 3 3 LYS H H 3 8.609 8.609 8.337 0.272 25872 1617 1 9 . 1 1 4 4 ASP N N 4 120.271 120.271 121.292 -1.021 25872 1618 1 9 . 1 1 4 4 ASP HA H 4 4.706 4.706 4.637 0.069 25872 1619 1 9 . 1 1 4 4 ASP C C 4 173.339 173.339 174.829 -1.490 25872 1620 1 9 . 1 1 4 4 ASP CA C 4 52.055 52.055 55.047 -2.992 25872 1621 1 9 . 1 1 4 4 ASP CB C 4 38.662 38.662 41.573 -2.911 25872 1622 1 9 . 1 1 4 4 ASP H H 4 8.420 8.420 8.393 0.027 25872 1623 1 9 . 1 1 5 5 GLU N N 5 120.404 120.404 121.673 -1.269 25872 1624 1 9 . 1 1 5 5 GLU HA H 5 4.516 4.516 4.459 0.057 25872 1625 1 9 . 1 1 5 5 GLU C C 5 173.506 173.506 175.541 -2.035 25872 1626 1 9 . 1 1 5 5 GLU CA C 5 53.808 53.808 56.321 -2.513 25872 1627 1 9 . 1 1 5 5 GLU CB C 5 28.434 28.434 31.156 -2.722 25872 1628 1 9 . 1 1 5 5 GLU H H 5 8.177 8.177 8.491 -0.314 25872 1629 1 9 . 1 1 6 6 THR N N 6 117.433 117.433 117.152 0.281 25872 1630 1 9 . 1 1 6 6 THR HA H 6 4.649 4.649 4.284 0.365 25872 1631 1 9 . 1 1 6 6 THR C C 6 170.644 170.644 173.073 -2.429 25872 1632 1 9 . 1 1 6 6 THR CA C 6 57.823 57.823 60.607 -2.784 25872 1633 1 9 . 1 1 6 6 THR CB C 6 67.184 67.184 68.257 -1.073 25872 1634 1 9 . 1 1 6 6 THR H H 6 8.314 8.314 8.194 0.120 25872 1635 1 9 . 1 1 7 7 PRO HA H 7 4.569 4.569 4.275 0.294 25872 1636 1 9 . 1 1 7 7 PRO C C 7 173.983 173.983 175.117 -1.134 25872 1637 1 9 . 1 1 7 7 PRO CA C 7 60.843 60.843 63.106 -2.263 25872 1638 1 9 . 1 1 7 7 PRO CB C 7 29.556 29.556 31.890 -2.334 25872 1639 1 9 . 1 1 8 8 PHE N N 8 119.597 119.597 122.733 -3.136 25872 1640 1 9 . 1 1 8 8 PHE HA H 8 4.612 4.612 4.575 0.037 25872 1641 1 9 . 1 1 8 8 PHE C C 8 173.291 173.291 175.681 -2.390 25872 1642 1 9 . 1 1 8 8 PHE CA C 8 56.320 56.320 58.048 -1.728 25872 1643 1 9 . 1 1 8 8 PHE CB C 8 37.156 37.156 40.591 -3.435 25872 1644 1 9 . 1 1 8 8 PHE H H 8 8.381 8.381 8.212 0.169 25872 1645 1 9 . 1 1 9 9 GLY N N 9 107.586 107.586 114.321 -6.735 25872 1646 1 9 . 1 1 9 9 GLY C C 9 171.741 171.741 175.327 -3.586 25872 1647 1 9 . 1 1 9 9 GLY CA C 9 43.719 43.719 44.625 -0.906 25872 1648 1 9 . 1 1 9 9 GLY H H 9 8.557 8.557 8.497 0.060 25872 1649 1 9 . 1 1 10 10 VAL N N 10 118.248 118.248 125.336 -7.088 25872 1650 1 9 . 1 1 10 10 VAL HA H 10 3.984 3.984 3.775 0.209 25872 1651 1 9 . 1 1 10 10 VAL C C 10 173.124 173.124 177.454 -4.330 25872 1652 1 9 . 1 1 10 10 VAL CA C 10 62.233 62.233 64.184 -1.951 25872 1653 1 9 . 1 1 10 10 VAL CB C 10 30.351 30.351 31.823 -1.472 25872 1654 1 9 . 1 1 10 10 VAL H H 10 7.970 7.970 8.354 -0.384 25872 1655 1 9 . 1 1 11 11 SER N N 11 116.602 116.602 115.482 1.120 25872 1656 1 9 . 1 1 11 11 SER HA H 11 4.339 4.339 4.207 0.132 25872 1657 1 9 . 1 1 11 11 SER C C 11 172.929 172.929 176.855 -3.926 25872 1658 1 9 . 1 1 11 11 SER CA C 11 58.493 58.493 61.273 -2.780 25872 1659 1 9 . 1 1 11 11 SER CB C 11 60.928 60.928 62.521 -1.593 25872 1660 1 9 . 1 1 11 11 SER H H 11 8.180 8.180 8.510 -0.330 25872 1661 1 9 . 1 1 12 12 VAL N N 12 121.016 121.016 122.823 -1.807 25872 1662 1 9 . 1 1 12 12 VAL HA H 12 3.728 3.728 3.781 -0.053 25872 1663 1 9 . 1 1 12 12 VAL C C 12 174.197 174.197 177.572 -3.375 25872 1664 1 9 . 1 1 12 12 VAL CA C 12 63.881 63.881 64.995 -1.114 25872 1665 1 9 . 1 1 12 12 VAL CB C 12 29.115 29.115 31.465 -2.350 25872 1666 1 9 . 1 1 12 12 VAL H H 12 8.356 8.356 7.742 0.614 25872 1667 1 9 . 1 1 13 13 ALA N N 13 121.087 121.087 122.326 -1.239 25872 1668 1 9 . 1 1 13 13 ALA HA H 13 4.066 4.066 4.045 0.021 25872 1669 1 9 . 1 1 13 13 ALA C C 13 176.105 176.105 179.903 -3.798 25872 1670 1 9 . 1 1 13 13 ALA CA C 13 53.461 53.461 55.294 -1.833 25872 1671 1 9 . 1 1 13 13 ALA CB C 13 16.246 16.246 18.245 -2.000 25872 1672 1 9 . 1 1 13 13 ALA H H 13 8.162 8.162 7.888 0.274 25872 1673 1 9 . 1 1 14 14 VAL N N 14 115.686 115.686 118.814 -3.128 25872 1674 1 9 . 1 1 14 14 VAL HA H 14 3.669 3.669 3.521 0.148 25872 1675 1 9 . 1 1 14 14 VAL C C 14 175.247 175.247 178.045 -2.798 25872 1676 1 9 . 1 1 14 14 VAL CA C 14 64.315 64.315 66.815 -2.500 25872 1677 1 9 . 1 1 14 14 VAL CB C 14 29.199 29.199 31.597 -2.398 25872 1678 1 9 . 1 1 14 14 VAL H H 14 8.175 8.175 8.634 -0.459 25872 1679 1 9 . 1 1 15 15 GLY N N 15 106.431 106.431 107.691 -1.260 25872 1680 1 9 . 1 1 15 15 GLY C C 15 172.266 172.266 176.093 -3.827 25872 1681 1 9 . 1 1 15 15 GLY CA C 15 45.494 45.494 47.200 -1.706 25872 1682 1 9 . 1 1 15 15 GLY H H 15 8.465 8.465 7.742 0.723 25872 1683 1 9 . 1 1 16 16 LEU N N 16 120.605 120.605 122.800 -2.195 25872 1684 1 9 . 1 1 16 16 LEU HA H 16 4.222 4.222 3.884 0.338 25872 1685 1 9 . 1 1 16 16 LEU C C 16 175.676 175.676 178.988 -3.312 25872 1686 1 9 . 1 1 16 16 LEU CA C 16 55.691 55.691 57.778 -2.087 25872 1687 1 9 . 1 1 16 16 LEU CB C 16 39.529 39.529 41.751 -2.222 25872 1688 1 9 . 1 1 16 16 LEU H H 16 8.764 8.764 8.263 0.501 25872 1689 1 9 . 1 1 17 17 ALA N N 17 121.535 121.535 121.511 0.024 25872 1690 1 9 . 1 1 17 17 ALA HA H 17 4.127 4.127 3.956 0.171 25872 1691 1 9 . 1 1 17 17 ALA C C 17 176.892 176.892 179.612 -2.720 25872 1692 1 9 . 1 1 17 17 ALA CA C 17 53.317 53.317 55.300 -1.983 25872 1693 1 9 . 1 1 17 17 ALA CB C 17 15.647 15.647 17.986 -2.340 25872 1694 1 9 . 1 1 17 17 ALA H H 17 8.315 8.315 7.861 0.454 25872 1695 1 9 . 1 1 18 18 VAL N N 18 118.055 118.055 119.055 -1.000 25872 1696 1 9 . 1 1 18 18 VAL HA H 18 3.592 3.592 3.528 0.064 25872 1697 1 9 . 1 1 18 18 VAL C C 18 175.271 175.271 178.008 -2.737 25872 1698 1 9 . 1 1 18 18 VAL CA C 18 64.999 64.999 66.732 -1.733 25872 1699 1 9 . 1 1 18 18 VAL CB C 18 28.838 28.838 31.656 -2.818 25872 1700 1 9 . 1 1 18 18 VAL H H 18 8.687 8.687 7.875 0.812 25872 1701 1 9 . 1 1 19 19 PHE N N 19 119.235 119.235 119.732 -0.497 25872 1702 1 9 . 1 1 19 19 PHE HA H 19 4.167 4.167 4.024 0.142 25872 1703 1 9 . 1 1 19 19 PHE C C 19 174.197 174.197 177.190 -2.993 25872 1704 1 9 . 1 1 19 19 PHE CA C 19 59.852 59.852 62.131 -2.279 25872 1705 1 9 . 1 1 19 19 PHE CB C 19 36.490 36.490 38.910 -2.420 25872 1706 1 9 . 1 1 19 19 PHE H H 19 8.622 8.622 8.079 0.543 25872 1707 1 9 . 1 1 20 20 ALA N N 20 120.852 120.852 121.661 -0.809 25872 1708 1 9 . 1 1 20 20 ALA HA H 20 3.936 3.936 4.132 -0.196 25872 1709 1 9 . 1 1 20 20 ALA C C 20 176.558 176.558 179.457 -2.899 25872 1710 1 9 . 1 1 20 20 ALA CA C 20 53.352 53.352 55.404 -2.052 25872 1711 1 9 . 1 1 20 20 ALA CB C 20 15.324 15.324 17.993 -2.669 25872 1712 1 9 . 1 1 20 20 ALA H H 20 9.059 9.059 8.576 0.483 25872 1713 1 9 . 1 1 21 21 CYS N N 21 115.298 115.298 118.013 -2.715 25872 1714 1 9 . 1 1 21 21 CYS HA H 21 4.141 4.141 4.091 0.050 25872 1715 1 9 . 1 1 21 21 CYS CA C 21 61.968 61.968 64.708 -2.740 25872 1716 1 9 . 1 1 21 21 CYS H H 21 8.311 8.311 8.470 -0.159 25872 1717 1 9 . 1 1 22 22 LEU N N 22 122.447 122.447 120.812 1.635 25872 1718 1 9 . 1 1 22 22 LEU HA H 22 4.077 4.077 3.906 0.171 25872 1719 1 9 . 1 1 22 22 LEU C C 22 176.153 176.153 178.655 -2.502 25872 1720 1 9 . 1 1 22 22 LEU CA C 22 55.797 55.797 57.916 -2.119 25872 1721 1 9 . 1 1 22 22 LEU CB C 22 39.312 39.312 41.684 -2.372 25872 1722 1 9 . 1 1 22 22 LEU H H 22 8.607 8.607 7.797 0.810 25872 1723 1 9 . 1 1 23 23 PHE N N 23 122.153 122.153 120.359 1.794 25872 1724 1 9 . 1 1 23 23 PHE HA H 23 4.041 4.041 4.110 -0.069 25872 1725 1 9 . 1 1 23 23 PHE C C 23 173.959 173.959 177.231 -3.272 25872 1726 1 9 . 1 1 23 23 PHE CA C 23 59.055 59.055 60.149 -1.094 25872 1727 1 9 . 1 1 23 23 PHE CB C 23 36.704 36.704 38.565 -1.861 25872 1728 1 9 . 1 1 23 23 PHE H H 23 8.998 8.998 7.917 1.081 25872 1729 1 9 . 1 1 24 24 LEU N N 24 118.082 118.082 118.355 -0.273 25872 1730 1 9 . 1 1 24 24 LEU HA H 24 3.896 3.896 3.618 0.278 25872 1731 1 9 . 1 1 24 24 LEU C C 24 175.915 175.915 178.955 -3.040 25872 1732 1 9 . 1 1 24 24 LEU CA C 24 55.787 55.787 57.710 -1.923 25872 1733 1 9 . 1 1 24 24 LEU CB C 24 39.488 39.488 41.512 -2.024 25872 1734 1 9 . 1 1 24 24 LEU H H 24 8.653 8.653 8.112 0.541 25872 1735 1 9 . 1 1 25 25 SER N N 25 113.414 113.414 115.622 -2.208 25872 1736 1 9 . 1 1 25 25 SER HA H 25 4.080 4.080 4.223 -0.143 25872 1737 1 9 . 1 1 25 25 SER C C 25 172.719 172.719 176.565 -3.846 25872 1738 1 9 . 1 1 25 25 SER CA C 25 61.220 61.220 62.300 -1.080 25872 1739 1 9 . 1 1 25 25 SER CB C 25 60.568 60.568 62.854 -2.286 25872 1740 1 9 . 1 1 25 25 SER H H 25 8.172 8.172 7.968 0.204 25872 1741 1 9 . 1 1 26 26 THR N N 26 117.783 117.783 119.916 -2.133 25872 1742 1 9 . 1 1 26 26 THR HA H 26 3.787 3.787 4.076 -0.289 25872 1743 1 9 . 1 1 26 26 THR C C 26 175.676 175.676 176.352 -0.676 25872 1744 1 9 . 1 1 26 26 THR CA C 26 65.563 65.563 66.185 -0.622 25872 1745 1 9 . 1 1 26 26 THR CB C 26 65.262 65.262 68.612 -3.350 25872 1746 1 9 . 1 1 26 26 THR H H 26 7.845 7.845 8.360 -0.515 25872 1747 1 9 . 1 1 27 27 LEU N N 27 121.022 121.022 121.176 -0.154 25872 1748 1 9 . 1 1 27 27 LEU HA H 27 3.891 3.891 3.981 -0.090 25872 1749 1 9 . 1 1 27 27 LEU C C 27 175.676 175.676 178.666 -2.990 25872 1750 1 9 . 1 1 27 27 LEU CA C 27 55.991 55.991 57.965 -1.974 25872 1751 1 9 . 1 1 27 27 LEU CB C 27 39.194 39.194 41.256 -2.062 25872 1752 1 9 . 1 1 27 27 LEU H H 27 8.053 8.053 7.739 0.314 25872 1753 1 9 . 1 1 28 28 LEU N N 28 117.328 117.328 119.512 -2.184 25872 1754 1 9 . 1 1 28 28 LEU HA H 28 4.040 4.040 3.880 0.160 25872 1755 1 9 . 1 1 28 28 LEU C C 28 176.439 176.439 179.052 -2.613 25872 1756 1 9 . 1 1 28 28 LEU CA C 28 55.847 55.847 57.989 -2.142 25872 1757 1 9 . 1 1 28 28 LEU CB C 28 39.186 39.186 41.636 -2.450 25872 1758 1 9 . 1 1 28 28 LEU H H 28 8.206 8.206 7.659 0.547 25872 1759 1 9 . 1 1 29 29 LEU N N 29 119.596 119.596 119.236 0.360 25872 1760 1 9 . 1 1 29 29 LEU HA H 29 4.173 4.173 3.923 0.250 25872 1761 1 9 . 1 1 29 29 LEU C C 29 176.773 176.773 179.057 -2.284 25872 1762 1 9 . 1 1 29 29 LEU CA C 29 55.943 55.943 57.999 -2.056 25872 1763 1 9 . 1 1 29 29 LEU CB C 29 39.593 39.593 41.831 -2.237 25872 1764 1 9 . 1 1 29 29 LEU H H 29 8.121 8.121 7.669 0.452 25872 1765 1 9 . 1 1 30 30 VAL N N 30 118.438 118.438 119.668 -1.230 25872 1766 1 9 . 1 1 30 30 VAL HA H 30 3.743 3.743 3.486 0.257 25872 1767 1 9 . 1 1 30 30 VAL C C 30 175.294 175.294 178.142 -2.848 25872 1768 1 9 . 1 1 30 30 VAL CA C 30 64.164 64.164 66.905 -2.741 25872 1769 1 9 . 1 1 30 30 VAL CB C 30 29.137 29.137 31.681 -2.544 25872 1770 1 9 . 1 1 30 30 VAL H H 30 8.429 8.429 7.872 0.557 25872 1771 1 9 . 1 1 31 31 LEU N N 31 119.064 119.064 119.498 -0.434 25872 1772 1 9 . 1 1 31 31 LEU HA H 31 4.158 4.158 4.177 -0.019 25872 1773 1 9 . 1 1 31 31 LEU C C 31 176.058 176.058 179.059 -3.001 25872 1774 1 9 . 1 1 31 31 LEU CA C 31 55.204 55.204 57.593 -2.389 25872 1775 1 9 . 1 1 31 31 LEU CB C 31 39.340 39.340 41.826 -2.486 25872 1776 1 9 . 1 1 31 31 LEU H H 31 8.552 8.552 7.844 0.708 25872 1777 1 9 . 1 1 32 32 ASN HA H 32 4.632 4.632 4.465 0.167 25872 1778 1 9 . 1 1 32 32 ASN H H 32 8.148 8.148 7.954 0.194 25872 1779 1 9 . 1 1 33 33 LYS N N 33 118.261 118.261 118.824 -0.563 25872 1780 1 9 . 1 1 33 33 LYS HA H 33 4.334 4.334 4.286 0.048 25872 1781 1 9 . 1 1 33 33 LYS C C 33 174.722 174.722 175.696 -0.974 25872 1782 1 9 . 1 1 33 33 LYS CA C 33 54.918 54.918 57.107 -2.189 25872 1783 1 9 . 1 1 33 33 LYS CB C 33 30.315 30.315 34.010 -3.695 25872 1784 1 9 . 1 1 33 33 LYS H H 33 8.074 8.074 7.881 0.193 25872 1785 1 9 . 1 1 34 34 ALA N N 34 120.974 120.974 121.317 -0.343 25872 1786 1 9 . 1 1 34 34 ALA HA H 34 4.381 4.381 4.556 -0.175 25872 1787 1 9 . 1 1 34 34 ALA C C 34 175.557 175.557 175.454 0.103 25872 1788 1 9 . 1 1 34 34 ALA CA C 34 50.859 50.859 52.403 -1.544 25872 1789 1 9 . 1 1 34 34 ALA CB C 34 16.769 16.769 20.870 -4.101 25872 1790 1 9 . 1 1 34 34 ALA H H 34 8.344 8.344 7.584 0.760 25872 1791 1 9 . 1 1 35 35 GLY N N 35 105.444 105.444 110.598 -5.154 25872 1792 1 9 . 1 1 35 35 GLY C C 35 171.431 171.431 173.743 -2.312 25872 1793 1 9 . 1 1 35 35 GLY CA C 35 43.302 43.302 45.577 -2.275 25872 1794 1 9 . 1 1 35 35 GLY H H 35 8.192 8.192 8.165 0.027 25872 1795 1 9 . 1 1 36 36 ARG N N 36 119.296 119.296 123.196 -3.900 25872 1796 1 9 . 1 1 36 36 ARG HA H 36 4.474 4.474 4.557 -0.083 25872 1797 1 9 . 1 1 36 36 ARG C C 36 173.530 173.530 175.868 -2.338 25872 1798 1 9 . 1 1 36 36 ARG CA C 36 53.566 53.566 55.566 -2.000 25872 1799 1 9 . 1 1 36 36 ARG CB C 36 28.281 28.281 31.476 -3.195 25872 1800 1 9 . 1 1 36 36 ARG H H 36 7.991 7.991 8.388 -0.397 25872 1801 1 9 . 1 1 37 37 ARG N N 37 120.950 120.950 121.707 -0.757 25872 1802 1 9 . 1 1 37 37 ARG HA H 37 4.460 4.460 4.460 -0.000 25872 1803 1 9 . 1 1 37 37 ARG C C 37 173.411 173.411 175.369 -1.958 25872 1804 1 9 . 1 1 37 37 ARG CA C 37 53.772 53.772 55.782 -2.010 25872 1805 1 9 . 1 1 37 37 ARG CB C 37 28.416 28.416 31.384 -2.968 25872 1806 1 9 . 1 1 37 37 ARG H H 37 8.320 8.320 8.432 -0.112 25872 1807 1 9 . 1 1 38 38 ASN HA H 38 4.806 4.806 4.851 -0.045 25872 1808 1 9 . 1 1 38 38 ASN C C 38 171.383 171.383 174.752 -3.369 25872 1809 1 9 . 1 1 38 38 ASN CA C 38 51.070 51.070 52.952 -1.882 25872 1810 1 10 . 1 1 2 2 LYS N N 2 123.102 123.102 122.897 0.205 25872 1811 1 10 . 1 1 2 2 LYS H H 2 8.483 8.483 8.445 0.038 25872 1812 1 10 . 1 1 3 3 LYS N N 3 123.206 123.206 120.934 2.272 25872 1813 1 10 . 1 1 3 3 LYS HA H 3 4.364 4.364 4.138 0.226 25872 1814 1 10 . 1 1 3 3 LYS C C 3 173.506 173.506 176.070 -2.564 25872 1815 1 10 . 1 1 3 3 LYS CA C 3 54.569 54.569 57.681 -3.112 25872 1816 1 10 . 1 1 3 3 LYS CB C 3 30.685 30.685 32.516 -1.831 25872 1817 1 10 . 1 1 3 3 LYS H H 3 8.609 8.609 8.765 -0.156 25872 1818 1 10 . 1 1 4 4 ASP N N 4 120.271 120.271 118.329 1.942 25872 1819 1 10 . 1 1 4 4 ASP HA H 4 4.706 4.706 4.719 -0.013 25872 1820 1 10 . 1 1 4 4 ASP C C 4 173.339 173.339 174.427 -1.088 25872 1821 1 10 . 1 1 4 4 ASP CA C 4 52.055 52.055 53.039 -0.985 25872 1822 1 10 . 1 1 4 4 ASP CB C 4 38.662 38.662 42.308 -3.646 25872 1823 1 10 . 1 1 4 4 ASP H H 4 8.420 8.420 7.688 0.732 25872 1824 1 10 . 1 1 5 5 GLU N N 5 120.404 120.404 119.404 1.000 25872 1825 1 10 . 1 1 5 5 GLU HA H 5 4.516 4.516 4.487 0.029 25872 1826 1 10 . 1 1 5 5 GLU C C 5 173.506 173.506 175.701 -2.195 25872 1827 1 10 . 1 1 5 5 GLU CA C 5 53.808 53.808 56.431 -2.623 25872 1828 1 10 . 1 1 5 5 GLU CB C 5 28.434 28.434 29.995 -1.561 25872 1829 1 10 . 1 1 5 5 GLU H H 5 8.177 8.177 8.596 -0.419 25872 1830 1 10 . 1 1 6 6 THR N N 6 117.433 117.433 116.643 0.790 25872 1831 1 10 . 1 1 6 6 THR HA H 6 4.649 4.649 4.609 0.040 25872 1832 1 10 . 1 1 6 6 THR C C 6 170.644 170.644 172.814 -2.170 25872 1833 1 10 . 1 1 6 6 THR CA C 6 57.823 57.823 58.767 -0.945 25872 1834 1 10 . 1 1 6 6 THR CB C 6 67.184 67.184 68.679 -1.495 25872 1835 1 10 . 1 1 6 6 THR H H 6 8.314 8.314 8.241 0.073 25872 1836 1 10 . 1 1 7 7 PRO HA H 7 4.569 4.569 4.350 0.219 25872 1837 1 10 . 1 1 7 7 PRO C C 7 173.983 173.983 175.124 -1.141 25872 1838 1 10 . 1 1 7 7 PRO CA C 7 60.843 60.843 63.008 -2.166 25872 1839 1 10 . 1 1 7 7 PRO CB C 7 29.556 29.556 31.839 -2.283 25872 1840 1 10 . 1 1 8 8 PHE N N 8 119.597 119.597 121.993 -2.396 25872 1841 1 10 . 1 1 8 8 PHE HA H 8 4.612 4.612 4.574 0.038 25872 1842 1 10 . 1 1 8 8 PHE C C 8 173.291 173.291 175.811 -2.520 25872 1843 1 10 . 1 1 8 8 PHE CA C 8 56.320 56.320 57.889 -1.569 25872 1844 1 10 . 1 1 8 8 PHE CB C 8 37.156 37.156 40.467 -3.311 25872 1845 1 10 . 1 1 8 8 PHE H H 8 8.381 8.381 8.202 0.179 25872 1846 1 10 . 1 1 9 9 GLY N N 9 107.586 107.586 113.813 -6.227 25872 1847 1 10 . 1 1 9 9 GLY C C 9 171.741 171.741 175.130 -3.389 25872 1848 1 10 . 1 1 9 9 GLY CA C 9 43.719 43.719 44.694 -0.975 25872 1849 1 10 . 1 1 9 9 GLY H H 9 8.557 8.557 8.441 0.116 25872 1850 1 10 . 1 1 10 10 VAL N N 10 118.248 118.248 125.791 -7.543 25872 1851 1 10 . 1 1 10 10 VAL HA H 10 3.984 3.984 3.870 0.114 25872 1852 1 10 . 1 1 10 10 VAL C C 10 173.124 173.124 177.482 -4.358 25872 1853 1 10 . 1 1 10 10 VAL CA C 10 62.233 62.233 64.306 -2.073 25872 1854 1 10 . 1 1 10 10 VAL CB C 10 30.351 30.351 32.209 -1.858 25872 1855 1 10 . 1 1 10 10 VAL H H 10 7.970 7.970 8.374 -0.404 25872 1856 1 10 . 1 1 11 11 SER N N 11 116.602 116.602 115.761 0.841 25872 1857 1 10 . 1 1 11 11 SER HA H 11 4.339 4.339 4.217 0.122 25872 1858 1 10 . 1 1 11 11 SER C C 11 172.929 172.929 176.716 -3.787 25872 1859 1 10 . 1 1 11 11 SER CA C 11 58.493 58.493 61.611 -3.118 25872 1860 1 10 . 1 1 11 11 SER CB C 11 60.928 60.928 62.513 -1.585 25872 1861 1 10 . 1 1 11 11 SER H H 11 8.180 8.180 8.340 -0.160 25872 1862 1 10 . 1 1 12 12 VAL N N 12 121.016 121.016 121.316 -0.300 25872 1863 1 10 . 1 1 12 12 VAL HA H 12 3.728 3.728 3.780 -0.052 25872 1864 1 10 . 1 1 12 12 VAL C C 12 174.197 174.197 177.306 -3.109 25872 1865 1 10 . 1 1 12 12 VAL CA C 12 63.881 63.881 65.573 -1.692 25872 1866 1 10 . 1 1 12 12 VAL CB C 12 29.115 29.115 31.481 -2.366 25872 1867 1 10 . 1 1 12 12 VAL H H 12 8.356 8.356 7.883 0.473 25872 1868 1 10 . 1 1 13 13 ALA N N 13 121.087 121.087 122.023 -0.936 25872 1869 1 10 . 1 1 13 13 ALA HA H 13 4.066 4.066 4.054 0.012 25872 1870 1 10 . 1 1 13 13 ALA C C 13 176.105 176.105 180.166 -4.061 25872 1871 1 10 . 1 1 13 13 ALA CA C 13 53.461 53.461 55.228 -1.767 25872 1872 1 10 . 1 1 13 13 ALA CB C 13 16.246 16.246 18.072 -1.826 25872 1873 1 10 . 1 1 13 13 ALA H H 13 8.162 8.162 7.586 0.576 25872 1874 1 10 . 1 1 14 14 VAL N N 14 115.686 115.686 118.719 -3.033 25872 1875 1 10 . 1 1 14 14 VAL HA H 14 3.669 3.669 3.622 0.047 25872 1876 1 10 . 1 1 14 14 VAL C C 14 175.247 175.247 178.214 -2.967 25872 1877 1 10 . 1 1 14 14 VAL CA C 14 64.315 64.315 66.822 -2.507 25872 1878 1 10 . 1 1 14 14 VAL CB C 14 29.199 29.199 31.056 -1.857 25872 1879 1 10 . 1 1 14 14 VAL H H 14 8.175 8.175 8.500 -0.325 25872 1880 1 10 . 1 1 15 15 GLY N N 15 106.431 106.431 107.954 -1.523 25872 1881 1 10 . 1 1 15 15 GLY C C 15 172.266 172.266 176.386 -4.120 25872 1882 1 10 . 1 1 15 15 GLY CA C 15 45.494 45.494 47.280 -1.786 25872 1883 1 10 . 1 1 15 15 GLY H H 15 8.465 8.465 7.786 0.679 25872 1884 1 10 . 1 1 16 16 LEU N N 16 120.605 120.605 122.785 -2.180 25872 1885 1 10 . 1 1 16 16 LEU HA H 16 4.222 4.222 3.878 0.344 25872 1886 1 10 . 1 1 16 16 LEU C C 16 175.676 175.676 178.988 -3.312 25872 1887 1 10 . 1 1 16 16 LEU CA C 16 55.691 55.691 57.784 -2.093 25872 1888 1 10 . 1 1 16 16 LEU CB C 16 39.529 39.529 41.747 -2.218 25872 1889 1 10 . 1 1 16 16 LEU H H 16 8.764 8.764 8.417 0.347 25872 1890 1 10 . 1 1 17 17 ALA N N 17 121.535 121.535 121.681 -0.146 25872 1891 1 10 . 1 1 17 17 ALA HA H 17 4.127 4.127 3.972 0.155 25872 1892 1 10 . 1 1 17 17 ALA C C 17 176.892 176.892 179.748 -2.856 25872 1893 1 10 . 1 1 17 17 ALA CA C 17 53.317 53.317 55.358 -2.041 25872 1894 1 10 . 1 1 17 17 ALA CB C 17 15.647 15.647 18.012 -2.365 25872 1895 1 10 . 1 1 17 17 ALA H H 17 8.315 8.315 7.942 0.373 25872 1896 1 10 . 1 1 18 18 VAL N N 18 118.055 118.055 118.790 -0.735 25872 1897 1 10 . 1 1 18 18 VAL HA H 18 3.592 3.592 3.628 -0.036 25872 1898 1 10 . 1 1 18 18 VAL C C 18 175.271 175.271 178.239 -2.968 25872 1899 1 10 . 1 1 18 18 VAL CA C 18 64.999 64.999 66.597 -1.598 25872 1900 1 10 . 1 1 18 18 VAL CB C 18 28.838 28.838 30.945 -2.107 25872 1901 1 10 . 1 1 18 18 VAL H H 18 8.687 8.687 7.912 0.775 25872 1902 1 10 . 1 1 19 19 PHE N N 19 119.235 119.235 120.271 -1.036 25872 1903 1 10 . 1 1 19 19 PHE HA H 19 4.167 4.167 4.022 0.145 25872 1904 1 10 . 1 1 19 19 PHE C C 19 174.197 174.197 177.316 -3.119 25872 1905 1 10 . 1 1 19 19 PHE CA C 19 59.852 59.852 62.273 -2.421 25872 1906 1 10 . 1 1 19 19 PHE CB C 19 36.490 36.490 38.786 -2.296 25872 1907 1 10 . 1 1 19 19 PHE H H 19 8.622 8.622 8.178 0.444 25872 1908 1 10 . 1 1 20 20 ALA N N 20 120.852 120.852 121.660 -0.808 25872 1909 1 10 . 1 1 20 20 ALA HA H 20 3.936 3.936 4.136 -0.200 25872 1910 1 10 . 1 1 20 20 ALA C C 20 176.558 176.558 179.440 -2.882 25872 1911 1 10 . 1 1 20 20 ALA CA C 20 53.352 53.352 55.412 -2.060 25872 1912 1 10 . 1 1 20 20 ALA CB C 20 15.324 15.324 17.994 -2.670 25872 1913 1 10 . 1 1 20 20 ALA H H 20 9.059 9.059 8.523 0.536 25872 1914 1 10 . 1 1 21 21 CYS N N 21 115.298 115.298 118.071 -2.773 25872 1915 1 10 . 1 1 21 21 CYS HA H 21 4.141 4.141 4.088 0.053 25872 1916 1 10 . 1 1 21 21 CYS CA C 21 61.968 61.968 64.698 -2.730 25872 1917 1 10 . 1 1 21 21 CYS H H 21 8.311 8.311 8.474 -0.163 25872 1918 1 10 . 1 1 22 22 LEU N N 22 122.447 122.447 120.690 1.757 25872 1919 1 10 . 1 1 22 22 LEU HA H 22 4.077 4.077 3.902 0.175 25872 1920 1 10 . 1 1 22 22 LEU C C 22 176.153 176.153 178.670 -2.517 25872 1921 1 10 . 1 1 22 22 LEU CA C 22 55.797 55.797 57.916 -2.119 25872 1922 1 10 . 1 1 22 22 LEU CB C 22 39.312 39.312 41.681 -2.369 25872 1923 1 10 . 1 1 22 22 LEU H H 22 8.607 8.607 7.802 0.805 25872 1924 1 10 . 1 1 23 23 PHE N N 23 122.153 122.153 120.477 1.676 25872 1925 1 10 . 1 1 23 23 PHE HA H 23 4.041 4.041 4.122 -0.081 25872 1926 1 10 . 1 1 23 23 PHE C C 23 173.959 173.959 177.313 -3.354 25872 1927 1 10 . 1 1 23 23 PHE CA C 23 59.055 59.055 60.172 -1.117 25872 1928 1 10 . 1 1 23 23 PHE CB C 23 36.704 36.704 38.563 -1.859 25872 1929 1 10 . 1 1 23 23 PHE H H 23 8.998 8.998 7.850 1.148 25872 1930 1 10 . 1 1 24 24 LEU N N 24 118.082 118.082 118.442 -0.360 25872 1931 1 10 . 1 1 24 24 LEU HA H 24 3.896 3.896 3.614 0.282 25872 1932 1 10 . 1 1 24 24 LEU C C 24 175.915 175.915 178.957 -3.042 25872 1933 1 10 . 1 1 24 24 LEU CA C 24 55.787 55.787 57.946 -2.159 25872 1934 1 10 . 1 1 24 24 LEU CB C 24 39.488 39.488 41.611 -2.123 25872 1935 1 10 . 1 1 24 24 LEU H H 24 8.653 8.653 8.185 0.468 25872 1936 1 10 . 1 1 25 25 SER N N 25 113.414 113.414 115.579 -2.165 25872 1937 1 10 . 1 1 25 25 SER HA H 25 4.080 4.080 4.223 -0.143 25872 1938 1 10 . 1 1 25 25 SER C C 25 172.719 172.719 176.566 -3.847 25872 1939 1 10 . 1 1 25 25 SER CA C 25 61.220 61.220 62.333 -1.113 25872 1940 1 10 . 1 1 25 25 SER CB C 25 60.568 60.568 62.864 -2.296 25872 1941 1 10 . 1 1 25 25 SER H H 25 8.172 8.172 7.946 0.226 25872 1942 1 10 . 1 1 26 26 THR N N 26 117.783 117.783 119.845 -2.062 25872 1943 1 10 . 1 1 26 26 THR HA H 26 3.787 3.787 4.064 -0.277 25872 1944 1 10 . 1 1 26 26 THR C C 26 175.676 175.676 176.420 -0.744 25872 1945 1 10 . 1 1 26 26 THR CA C 26 65.563 65.563 66.175 -0.612 25872 1946 1 10 . 1 1 26 26 THR CB C 26 65.262 65.262 68.608 -3.346 25872 1947 1 10 . 1 1 26 26 THR H H 26 7.845 7.845 8.360 -0.515 25872 1948 1 10 . 1 1 27 27 LEU N N 27 121.022 121.022 121.107 -0.085 25872 1949 1 10 . 1 1 27 27 LEU HA H 27 3.891 3.891 4.000 -0.109 25872 1950 1 10 . 1 1 27 27 LEU C C 27 175.676 175.676 178.637 -2.961 25872 1951 1 10 . 1 1 27 27 LEU CA C 27 55.991 55.991 57.873 -1.882 25872 1952 1 10 . 1 1 27 27 LEU CB C 27 39.194 39.194 41.261 -2.067 25872 1953 1 10 . 1 1 27 27 LEU H H 27 8.053 8.053 7.759 0.294 25872 1954 1 10 . 1 1 28 28 LEU N N 28 117.328 117.328 119.657 -2.329 25872 1955 1 10 . 1 1 28 28 LEU HA H 28 4.040 4.040 3.888 0.152 25872 1956 1 10 . 1 1 28 28 LEU C C 28 176.439 176.439 179.080 -2.641 25872 1957 1 10 . 1 1 28 28 LEU CA C 28 55.847 55.847 58.033 -2.187 25872 1958 1 10 . 1 1 28 28 LEU CB C 28 39.186 39.186 41.649 -2.463 25872 1959 1 10 . 1 1 28 28 LEU H H 28 8.206 8.206 7.667 0.539 25872 1960 1 10 . 1 1 29 29 LEU N N 29 119.596 119.596 119.290 0.306 25872 1961 1 10 . 1 1 29 29 LEU HA H 29 4.173 4.173 3.943 0.230 25872 1962 1 10 . 1 1 29 29 LEU C C 29 176.773 176.773 179.060 -2.287 25872 1963 1 10 . 1 1 29 29 LEU CA C 29 55.943 55.943 57.906 -1.963 25872 1964 1 10 . 1 1 29 29 LEU CB C 29 39.593 39.593 41.767 -2.174 25872 1965 1 10 . 1 1 29 29 LEU H H 29 8.121 8.121 7.690 0.431 25872 1966 1 10 . 1 1 30 30 VAL N N 30 118.438 118.438 119.887 -1.449 25872 1967 1 10 . 1 1 30 30 VAL HA H 30 3.743 3.743 3.588 0.155 25872 1968 1 10 . 1 1 30 30 VAL C C 30 175.294 175.294 178.062 -2.768 25872 1969 1 10 . 1 1 30 30 VAL CA C 30 64.164 64.164 67.194 -3.030 25872 1970 1 10 . 1 1 30 30 VAL CB C 30 29.137 29.137 31.451 -2.314 25872 1971 1 10 . 1 1 30 30 VAL H H 30 8.429 8.429 7.799 0.630 25872 1972 1 10 . 1 1 31 31 LEU N N 31 119.064 119.064 120.124 -1.060 25872 1973 1 10 . 1 1 31 31 LEU HA H 31 4.158 4.158 4.172 -0.014 25872 1974 1 10 . 1 1 31 31 LEU C C 31 176.058 176.058 179.122 -3.064 25872 1975 1 10 . 1 1 31 31 LEU CA C 31 55.204 55.204 57.533 -2.329 25872 1976 1 10 . 1 1 31 31 LEU CB C 31 39.340 39.340 41.578 -2.238 25872 1977 1 10 . 1 1 31 31 LEU H H 31 8.552 8.552 7.907 0.645 25872 1978 1 10 . 1 1 32 32 ASN HA H 32 4.632 4.632 4.467 0.165 25872 1979 1 10 . 1 1 32 32 ASN H H 32 8.148 8.148 8.050 0.098 25872 1980 1 10 . 1 1 33 33 LYS N N 33 118.261 118.261 118.905 -0.644 25872 1981 1 10 . 1 1 33 33 LYS HA H 33 4.334 4.334 4.277 0.057 25872 1982 1 10 . 1 1 33 33 LYS C C 33 174.722 174.722 175.860 -1.138 25872 1983 1 10 . 1 1 33 33 LYS CA C 33 54.918 54.918 56.899 -1.981 25872 1984 1 10 . 1 1 33 33 LYS CB C 33 30.315 30.315 34.042 -3.727 25872 1985 1 10 . 1 1 33 33 LYS H H 33 8.074 8.074 8.012 0.062 25872 1986 1 10 . 1 1 34 34 ALA N N 34 120.974 120.974 120.853 0.121 25872 1987 1 10 . 1 1 34 34 ALA HA H 34 4.381 4.381 4.583 -0.202 25872 1988 1 10 . 1 1 34 34 ALA C C 34 175.557 175.557 175.807 -0.250 25872 1989 1 10 . 1 1 34 34 ALA CA C 34 50.859 50.859 52.423 -1.564 25872 1990 1 10 . 1 1 34 34 ALA CB C 34 16.769 16.769 20.265 -3.496 25872 1991 1 10 . 1 1 34 34 ALA H H 34 8.344 8.344 7.784 0.560 25872 1992 1 10 . 1 1 35 35 GLY N N 35 105.444 105.444 110.198 -4.754 25872 1993 1 10 . 1 1 35 35 GLY C C 35 171.431 171.431 173.268 -1.837 25872 1994 1 10 . 1 1 35 35 GLY CA C 35 43.302 43.302 44.935 -1.633 25872 1995 1 10 . 1 1 35 35 GLY H H 35 8.192 8.192 8.137 0.055 25872 1996 1 10 . 1 1 36 36 ARG N N 36 119.296 119.296 118.853 0.443 25872 1997 1 10 . 1 1 36 36 ARG HA H 36 4.474 4.474 4.474 -0.000 25872 1998 1 10 . 1 1 36 36 ARG C C 36 173.530 173.530 176.218 -2.688 25872 1999 1 10 . 1 1 36 36 ARG CA C 36 53.566 53.566 55.553 -1.987 25872 2000 1 10 . 1 1 36 36 ARG CB C 36 28.281 28.281 31.123 -2.842 25872 2001 1 10 . 1 1 36 36 ARG H H 36 7.991 7.991 8.113 -0.122 25872 2002 1 10 . 1 1 37 37 ARG N N 37 120.950 120.950 121.799 -0.849 25872 2003 1 10 . 1 1 37 37 ARG HA H 37 4.460 4.460 4.519 -0.059 25872 2004 1 10 . 1 1 37 37 ARG C C 37 173.411 173.411 175.365 -1.954 25872 2005 1 10 . 1 1 37 37 ARG CA C 37 53.772 53.772 55.244 -1.472 25872 2006 1 10 . 1 1 37 37 ARG CB C 37 28.416 28.416 31.688 -3.272 25872 2007 1 10 . 1 1 37 37 ARG H H 37 8.320 8.320 8.570 -0.250 25872 2008 1 10 . 1 1 38 38 ASN HA H 38 4.806 4.806 4.810 -0.004 25872 2009 1 10 . 1 1 38 38 ASN C C 38 171.383 171.383 174.342 -2.959 25872 2010 1 10 . 1 1 38 38 ASN CA C 38 51.070 51.070 52.968 -1.899 25872 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 34 2.399 1.011 2.209 25872 2 1 1 "Average Difference" HA 39 0.162 -0.078 0.144 25872 3 1 1 "Average Difference" C 34 2.873 2.734 0.899 25872 4 1 1 "Average Difference" CA 35 2.026 1.955 0.539 25872 5 1 1 "Average Difference" CB 30 2.401 2.314 0.653 25872 6 1 1 "Average Difference" HN 35 0.439 -0.222 0.384 25872 7 1 2 "Average Difference" N 34 2.257 0.773 2.153 25872 8 1 2 "Average Difference" HA 39 0.191 -0.069 0.180 25872 9 1 2 "Average Difference" C 34 2.908 2.790 0.832 25872 10 1 2 "Average Difference" CA 35 2.191 2.046 0.796 25872 11 1 2 "Average Difference" CB 30 2.466 2.402 0.564 25872 12 1 2 "Average Difference" HN 35 0.513 -0.314 0.412 25872 13 1 3 "Average Difference" N 34 1.868 0.846 1.690 25872 14 1 3 "Average Difference" HA 39 0.176 -0.062 0.167 25872 15 1 3 "Average Difference" C 34 2.840 2.713 0.853 25872 16 1 3 "Average Difference" CA 35 2.121 2.066 0.488 25872 17 1 3 "Average Difference" CB 30 2.451 2.358 0.680 25872 18 1 3 "Average Difference" HN 35 0.508 -0.273 0.434 25872 19 1 4 "Average Difference" N 34 1.712 0.894 1.482 25872 20 1 4 "Average Difference" HA 39 0.196 -0.087 0.178 25872 21 1 4 "Average Difference" C 34 2.998 2.894 0.798 25872 22 1 4 "Average Difference" CA 35 2.114 2.025 0.617 25872 23 1 4 "Average Difference" CB 30 2.302 2.230 0.579 25872 24 1 4 "Average Difference" HN 35 0.478 -0.253 0.411 25872 25 1 5 "Average Difference" N 34 2.549 1.342 2.199 25872 26 1 5 "Average Difference" HA 39 0.152 -0.062 0.141 25872 27 1 5 "Average Difference" C 34 2.766 2.628 0.876 25872 28 1 5 "Average Difference" CA 35 2.025 1.949 0.558 25872 29 1 5 "Average Difference" CB 30 2.549 2.459 0.682 25872 30 1 5 "Average Difference" HN 35 0.506 -0.275 0.431 25872 31 1 6 "Average Difference" N 34 2.408 1.255 2.085 25872 32 1 6 "Average Difference" HA 39 0.156 -0.075 0.139 25872 33 1 6 "Average Difference" C 34 2.829 2.686 0.902 25872 34 1 6 "Average Difference" CA 35 2.125 2.064 0.510 25872 35 1 6 "Average Difference" CB 30 2.496 2.424 0.605 25872 36 1 6 "Average Difference" HN 35 0.488 -0.276 0.409 25872 37 1 7 "Average Difference" N 34 2.434 1.465 1.973 25872 38 1 7 "Average Difference" HA 39 0.159 -0.068 0.146 25872 39 1 7 "Average Difference" C 34 2.880 2.762 0.827 25872 40 1 7 "Average Difference" CA 35 2.065 1.989 0.564 25872 41 1 7 "Average Difference" CB 30 2.423 2.322 0.705 25872 42 1 7 "Average Difference" HN 35 0.456 -0.216 0.407 25872 43 1 8 "Average Difference" N 34 2.645 1.175 2.405 25872 44 1 8 "Average Difference" HA 39 0.152 -0.039 0.149 25872 45 1 8 "Average Difference" C 34 2.798 2.625 0.984 25872 46 1 8 "Average Difference" CA 35 2.100 1.997 0.658 25872 47 1 8 "Average Difference" CB 30 2.566 2.502 0.580 25872 48 1 8 "Average Difference" HN 35 0.479 -0.231 0.425 25872 49 1 9 "Average Difference" N 34 2.462 1.365 2.080 25872 50 1 9 "Average Difference" HA 39 0.172 -0.069 0.160 25872 51 1 9 "Average Difference" C 34 2.803 2.628 0.988 25872 52 1 9 "Average Difference" CA 35 2.053 1.974 0.572 25872 53 1 9 "Average Difference" CB 30 2.631 2.542 0.689 25872 54 1 9 "Average Difference" HN 35 0.478 -0.252 0.412 25872 55 1 10 "Average Difference" N 34 2.349 1.001 2.157 25872 56 1 10 "Average Difference" HA 39 0.159 -0.066 0.147 25872 57 1 10 "Average Difference" C 34 2.831 2.666 0.964 25872 58 1 10 "Average Difference" CA 35 2.016 1.923 0.613 25872 59 1 10 "Average Difference" CB 30 2.474 2.395 0.628 25872 60 1 10 "Average Difference" HN 35 0.471 -0.251 0.404 25872 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 25872 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 LYS N N 2 123.102 123.102 122.293 0.809 25872 2 1 . 1 1 2 2 LYS H H 2 8.483 8.483 8.297 0.186 25872 3 1 . 1 1 3 3 LYS N N 3 123.206 123.206 122.186 1.020 25872 4 1 . 1 1 3 3 LYS HA H 3 4.364 4.364 4.428 -0.064 25872 5 1 . 1 1 3 3 LYS C C 3 173.506 173.506 175.496 -1.990 25872 6 1 . 1 1 3 3 LYS CA C 3 54.569 54.569 56.245 -1.676 25872 7 1 . 1 1 3 3 LYS CB C 3 30.685 30.685 33.226 -2.541 25872 8 1 . 1 1 3 3 LYS H H 3 8.609 8.609 8.241 0.368 25872 9 1 . 1 1 4 4 ASP N N 4 120.271 120.271 121.728 -1.457 25872 10 1 . 1 1 4 4 ASP HA H 4 4.706 4.706 4.731 -0.025 25872 11 1 . 1 1 4 4 ASP C C 4 173.339 173.339 175.246 -1.907 25872 12 1 . 1 1 4 4 ASP CA C 4 52.055 52.055 54.013 -1.958 25872 13 1 . 1 1 4 4 ASP CB C 4 38.662 38.662 42.101 -3.438 25872 14 1 . 1 1 4 4 ASP H H 4 8.420 8.420 8.321 0.099 25872 15 1 . 1 1 5 5 GLU N N 5 120.404 120.404 120.828 -0.424 25872 16 1 . 1 1 5 5 GLU HA H 5 4.516 4.516 4.498 0.018 25872 17 1 . 1 1 5 5 GLU C C 5 173.506 173.506 175.681 -2.175 25872 18 1 . 1 1 5 5 GLU CA C 5 53.808 53.808 56.780 -2.972 25872 19 1 . 1 1 5 5 GLU CB C 5 28.434 28.434 30.246 -1.813 25872 20 1 . 1 1 5 5 GLU H H 5 8.177 8.177 8.697 -0.519 25872 21 1 . 1 1 6 6 THR N N 6 117.433 117.433 116.097 1.336 25872 22 1 . 1 1 6 6 THR HA H 6 4.649 4.649 4.561 0.088 25872 23 1 . 1 1 6 6 THR C C 6 170.644 170.644 172.426 -1.782 25872 24 1 . 1 1 6 6 THR CA C 6 57.823 57.823 59.627 -1.804 25872 25 1 . 1 1 6 6 THR CB C 6 67.184 67.184 69.579 -2.395 25872 26 1 . 1 1 6 6 THR H H 6 8.314 8.314 8.009 0.305 25872 27 1 . 1 1 7 7 PRO HA H 7 4.569 4.569 4.455 0.115 25872 28 1 . 1 1 7 7 PRO C C 7 173.983 173.983 175.374 -1.391 25872 29 1 . 1 1 7 7 PRO CA C 7 60.843 60.843 62.863 -2.020 25872 30 1 . 1 1 7 7 PRO CB C 7 29.556 29.556 32.104 -2.548 25872 31 1 . 1 1 8 8 PHE N N 8 119.597 119.597 121.107 -1.510 25872 32 1 . 1 1 8 8 PHE HA H 8 4.612 4.612 4.594 0.018 25872 33 1 . 1 1 8 8 PHE C C 8 173.291 173.291 175.999 -2.708 25872 34 1 . 1 1 8 8 PHE CA C 8 56.320 56.320 58.034 -1.714 25872 35 1 . 1 1 8 8 PHE CB C 8 37.156 37.156 40.403 -3.247 25872 36 1 . 1 1 8 8 PHE H H 8 8.381 8.381 8.298 0.083 25872 37 1 . 1 1 9 9 GLY N N 9 107.586 107.586 113.195 -5.609 25872 38 1 . 1 1 9 9 GLY C C 9 171.741 171.741 174.891 -3.150 25872 39 1 . 1 1 9 9 GLY CA C 9 43.719 43.719 44.650 -0.931 25872 40 1 . 1 1 9 9 GLY H H 9 8.557 8.557 8.552 0.005 25872 41 1 . 1 1 10 10 VAL N N 10 118.248 118.248 124.642 -6.394 25872 42 1 . 1 1 10 10 VAL HA H 10 3.984 3.984 3.750 0.234 25872 43 1 . 1 1 10 10 VAL C C 10 173.124 173.124 177.430 -4.306 25872 44 1 . 1 1 10 10 VAL CA C 10 62.233 62.233 64.757 -2.524 25872 45 1 . 1 1 10 10 VAL CB C 10 30.351 30.351 31.940 -1.589 25872 46 1 . 1 1 10 10 VAL H H 10 7.970 7.970 8.140 -0.170 25872 47 1 . 1 1 11 11 SER N N 11 116.602 116.602 115.442 1.160 25872 48 1 . 1 1 11 11 SER HA H 11 4.339 4.339 4.206 0.133 25872 49 1 . 1 1 11 11 SER C C 11 172.929 172.929 176.590 -3.661 25872 50 1 . 1 1 11 11 SER CA C 11 58.493 58.493 61.457 -2.964 25872 51 1 . 1 1 11 11 SER CB C 11 60.928 60.928 62.650 -1.722 25872 52 1 . 1 1 11 11 SER H H 11 8.180 8.180 8.421 -0.241 25872 53 1 . 1 1 12 12 VAL N N 12 121.016 121.016 121.887 -0.871 25872 54 1 . 1 1 12 12 VAL HA H 12 3.728 3.728 3.754 -0.026 25872 55 1 . 1 1 12 12 VAL C C 12 174.197 174.197 177.398 -3.201 25872 56 1 . 1 1 12 12 VAL CA C 12 63.881 63.881 65.414 -1.533 25872 57 1 . 1 1 12 12 VAL CB C 12 29.115 29.115 31.469 -2.354 25872 58 1 . 1 1 12 12 VAL H H 12 8.356 8.356 7.786 0.570 25872 59 1 . 1 1 13 13 ALA N N 13 121.087 121.087 122.086 -0.999 25872 60 1 . 1 1 13 13 ALA HA H 13 4.066 4.066 4.048 0.018 25872 61 1 . 1 1 13 13 ALA C C 13 176.105 176.105 179.997 -3.892 25872 62 1 . 1 1 13 13 ALA CA C 13 53.461 53.461 55.252 -1.790 25872 63 1 . 1 1 13 13 ALA CB C 13 16.246 16.246 18.172 -1.926 25872 64 1 . 1 1 13 13 ALA H H 13 8.162 8.162 7.699 0.463 25872 65 1 . 1 1 14 14 VAL N N 14 115.686 115.686 118.895 -3.209 25872 66 1 . 1 1 14 14 VAL HA H 14 3.669 3.669 3.597 0.072 25872 67 1 . 1 1 14 14 VAL C C 14 175.247 175.247 178.129 -2.882 25872 68 1 . 1 1 14 14 VAL CA C 14 64.315 64.315 66.670 -2.355 25872 69 1 . 1 1 14 14 VAL CB C 14 29.199 29.199 31.349 -2.150 25872 70 1 . 1 1 14 14 VAL H H 14 8.175 8.175 8.487 -0.312 25872 71 1 . 1 1 15 15 GLY N N 15 106.431 106.431 107.663 -1.232 25872 72 1 . 1 1 15 15 GLY C C 15 172.266 172.266 176.223 -3.957 25872 73 1 . 1 1 15 15 GLY CA C 15 45.494 45.494 47.256 -1.762 25872 74 1 . 1 1 15 15 GLY H H 15 8.465 8.465 7.827 0.638 25872 75 1 . 1 1 16 16 LEU N N 16 120.605 120.605 122.786 -2.181 25872 76 1 . 1 1 16 16 LEU HA H 16 4.222 4.222 3.888 0.334 25872 77 1 . 1 1 16 16 LEU C C 16 175.676 175.676 178.989 -3.313 25872 78 1 . 1 1 16 16 LEU CA C 16 55.691 55.691 57.789 -2.098 25872 79 1 . 1 1 16 16 LEU CB C 16 39.529 39.529 41.752 -2.223 25872 80 1 . 1 1 16 16 LEU H H 16 8.764 8.764 8.292 0.472 25872 81 1 . 1 1 17 17 ALA N N 17 121.535 121.535 121.628 -0.093 25872 82 1 . 1 1 17 17 ALA HA H 17 4.127 4.127 3.964 0.164 25872 83 1 . 1 1 17 17 ALA C C 17 176.892 176.892 179.651 -2.759 25872 84 1 . 1 1 17 17 ALA CA C 17 53.317 53.317 55.346 -2.029 25872 85 1 . 1 1 17 17 ALA CB C 17 15.647 15.647 18.006 -2.359 25872 86 1 . 1 1 17 17 ALA H H 17 8.315 8.315 7.882 0.433 25872 87 1 . 1 1 18 18 VAL N N 18 118.055 118.055 119.030 -0.975 25872 88 1 . 1 1 18 18 VAL HA H 18 3.592 3.592 3.599 -0.007 25872 89 1 . 1 1 18 18 VAL C C 18 175.271 175.271 178.085 -2.814 25872 90 1 . 1 1 18 18 VAL CA C 18 64.999 64.999 66.380 -1.381 25872 91 1 . 1 1 18 18 VAL CB C 18 28.838 28.838 31.263 -2.425 25872 92 1 . 1 1 18 18 VAL H H 18 8.687 8.687 7.901 0.786 25872 93 1 . 1 1 19 19 PHE N N 19 119.235 119.235 119.997 -0.762 25872 94 1 . 1 1 19 19 PHE HA H 19 4.167 4.167 4.026 0.141 25872 95 1 . 1 1 19 19 PHE C C 19 174.197 174.197 177.202 -3.004 25872 96 1 . 1 1 19 19 PHE CA C 19 59.852 59.852 62.119 -2.267 25872 97 1 . 1 1 19 19 PHE CB C 19 36.490 36.490 38.808 -2.318 25872 98 1 . 1 1 19 19 PHE H H 19 8.622 8.622 8.112 0.510 25872 99 1 . 1 1 20 20 ALA N N 20 120.852 120.852 121.675 -0.823 25872 100 1 . 1 1 20 20 ALA HA H 20 3.936 3.936 4.137 -0.201 25872 101 1 . 1 1 20 20 ALA C C 20 176.558 176.558 179.448 -2.890 25872 102 1 . 1 1 20 20 ALA CA C 20 53.352 53.352 55.415 -2.063 25872 103 1 . 1 1 20 20 ALA CB C 20 15.324 15.324 18.004 -2.680 25872 104 1 . 1 1 20 20 ALA H H 20 9.059 9.059 8.518 0.540 25872 105 1 . 1 1 21 21 CYS N N 21 115.298 115.298 118.016 -2.718 25872 106 1 . 1 1 21 21 CYS HA H 21 4.141 4.141 4.092 0.049 25872 107 1 . 1 1 21 21 CYS CA C 21 61.968 61.968 64.635 -2.667 25872 108 1 . 1 1 21 21 CYS H H 21 8.311 8.311 8.485 -0.174 25872 109 1 . 1 1 22 22 LEU N N 22 122.447 122.447 120.770 1.677 25872 110 1 . 1 1 22 22 LEU HA H 22 4.077 4.077 3.916 0.161 25872 111 1 . 1 1 22 22 LEU C C 22 176.153 176.153 178.717 -2.564 25872 112 1 . 1 1 22 22 LEU CA C 22 55.797 55.797 57.972 -2.175 25872 113 1 . 1 1 22 22 LEU CB C 22 39.312 39.312 41.708 -2.396 25872 114 1 . 1 1 22 22 LEU H H 22 8.607 8.607 7.817 0.790 25872 115 1 . 1 1 23 23 PHE N N 23 122.153 122.153 120.453 1.700 25872 116 1 . 1 1 23 23 PHE HA H 23 4.041 4.041 4.110 -0.069 25872 117 1 . 1 1 23 23 PHE C C 23 173.959 173.959 177.349 -3.390 25872 118 1 . 1 1 23 23 PHE CA C 23 59.055 59.055 60.291 -1.236 25872 119 1 . 1 1 23 23 PHE CB C 23 36.704 36.704 38.615 -1.911 25872 120 1 . 1 1 23 23 PHE H H 23 8.998 8.998 7.898 1.099 25872 121 1 . 1 1 24 24 LEU N N 24 118.082 118.082 118.175 -0.093 25872 122 1 . 1 1 24 24 LEU HA H 24 3.896 3.896 3.635 0.261 25872 123 1 . 1 1 24 24 LEU C C 24 175.915 175.915 178.952 -3.037 25872 124 1 . 1 1 24 24 LEU CA C 24 55.787 55.787 57.808 -2.021 25872 125 1 . 1 1 24 24 LEU CB C 24 39.488 39.488 41.521 -2.034 25872 126 1 . 1 1 24 24 LEU H H 24 8.653 8.653 8.153 0.499 25872 127 1 . 1 1 25 25 SER N N 25 113.414 113.414 115.714 -2.300 25872 128 1 . 1 1 25 25 SER HA H 25 4.080 4.080 4.232 -0.152 25872 129 1 . 1 1 25 25 SER C C 25 172.719 172.719 176.610 -3.891 25872 130 1 . 1 1 25 25 SER CA C 25 61.220 61.220 62.366 -1.146 25872 131 1 . 1 1 25 25 SER CB C 25 60.568 60.568 62.933 -2.365 25872 132 1 . 1 1 25 25 SER H H 25 8.172 8.172 7.966 0.206 25872 133 1 . 1 1 26 26 THR N N 26 117.783 117.783 120.064 -2.281 25872 134 1 . 1 1 26 26 THR HA H 26 3.787 3.787 4.039 -0.252 25872 135 1 . 1 1 26 26 THR C C 26 175.676 175.676 176.335 -0.659 25872 136 1 . 1 1 26 26 THR CA C 26 65.563 65.563 66.984 -1.421 25872 137 1 . 1 1 26 26 THR CB C 26 65.262 65.262 68.838 -3.576 25872 138 1 . 1 1 26 26 THR H H 26 7.845 7.845 8.294 -0.449 25872 139 1 . 1 1 27 27 LEU N N 27 121.022 121.022 121.609 -0.587 25872 140 1 . 1 1 27 27 LEU HA H 27 3.891 3.891 3.951 -0.060 25872 141 1 . 1 1 27 27 LEU C C 27 175.676 175.676 178.597 -2.921 25872 142 1 . 1 1 27 27 LEU CA C 27 55.991 55.991 58.167 -2.176 25872 143 1 . 1 1 27 27 LEU CB C 27 39.194 39.194 41.305 -2.111 25872 144 1 . 1 1 27 27 LEU H H 27 8.053 8.053 7.793 0.260 25872 145 1 . 1 1 28 28 LEU N N 28 117.328 117.328 118.925 -1.597 25872 146 1 . 1 1 28 28 LEU HA H 28 4.040 4.040 3.876 0.164 25872 147 1 . 1 1 28 28 LEU C C 28 176.439 176.439 179.219 -2.780 25872 148 1 . 1 1 28 28 LEU CA C 28 55.847 55.847 57.873 -2.026 25872 149 1 . 1 1 28 28 LEU CB C 28 39.186 39.186 41.609 -2.423 25872 150 1 . 1 1 28 28 LEU H H 28 8.206 8.206 7.633 0.573 25872 151 1 . 1 1 29 29 LEU N N 29 119.596 119.596 119.251 0.345 25872 152 1 . 1 1 29 29 LEU HA H 29 4.173 4.173 3.906 0.267 25872 153 1 . 1 1 29 29 LEU C C 29 176.773 176.773 179.055 -2.282 25872 154 1 . 1 1 29 29 LEU CA C 29 55.943 55.943 57.997 -2.054 25872 155 1 . 1 1 29 29 LEU CB C 29 39.593 39.593 41.690 -2.097 25872 156 1 . 1 1 29 29 LEU H H 29 8.121 8.121 7.667 0.454 25872 157 1 . 1 1 30 30 VAL N N 30 118.438 118.438 119.540 -1.102 25872 158 1 . 1 1 30 30 VAL HA H 30 3.743 3.743 3.582 0.161 25872 159 1 . 1 1 30 30 VAL C C 30 175.294 175.294 178.165 -2.871 25872 160 1 . 1 1 30 30 VAL CA C 30 64.164 64.164 66.786 -2.622 25872 161 1 . 1 1 30 30 VAL CB C 30 29.137 29.137 31.321 -2.184 25872 162 1 . 1 1 30 30 VAL H H 30 8.429 8.429 7.920 0.509 25872 163 1 . 1 1 31 31 LEU N N 31 119.064 119.064 119.462 -0.398 25872 164 1 . 1 1 31 31 LEU HA H 31 4.158 4.158 3.982 0.176 25872 165 1 . 1 1 31 31 LEU C C 31 176.058 176.058 178.966 -2.908 25872 166 1 . 1 1 31 31 LEU CA C 31 55.204 55.204 57.825 -2.621 25872 167 1 . 1 1 31 31 LEU CB C 31 39.340 39.340 41.434 -2.094 25872 168 1 . 1 1 31 31 LEU H H 31 8.552 8.552 8.150 0.402 25872 169 1 . 1 1 32 32 ASN HA H 32 4.632 4.632 4.536 0.096 25872 170 1 . 1 1 32 32 ASN H H 32 8.148 8.148 7.917 0.230 25872 171 1 . 1 1 33 33 LYS N N 33 118.261 118.261 119.460 -1.199 25872 172 1 . 1 1 33 33 LYS HA H 33 4.334 4.334 4.212 0.123 25872 173 1 . 1 1 33 33 LYS C C 33 174.722 174.722 176.357 -1.634 25872 174 1 . 1 1 33 33 LYS CA C 33 54.918 54.918 57.242 -2.324 25872 175 1 . 1 1 33 33 LYS CB C 33 30.315 30.315 33.281 -2.966 25872 176 1 . 1 1 33 33 LYS H H 33 8.074 8.074 7.919 0.155 25872 177 1 . 1 1 34 34 ALA N N 34 120.974 120.974 120.382 0.592 25872 178 1 . 1 1 34 34 ALA HA H 34 4.381 4.381 4.359 0.022 25872 179 1 . 1 1 34 34 ALA C C 34 175.557 175.557 176.804 -1.247 25872 180 1 . 1 1 34 34 ALA CA C 34 50.859 50.859 52.562 -1.703 25872 181 1 . 1 1 34 34 ALA CB C 34 16.769 16.769 18.946 -2.177 25872 182 1 . 1 1 34 34 ALA H H 34 8.344 8.344 7.812 0.532 25872 183 1 . 1 1 35 35 GLY N N 35 105.444 105.444 108.778 -3.334 25872 184 1 . 1 1 35 35 GLY C C 35 171.431 171.431 173.564 -2.133 25872 185 1 . 1 1 35 35 GLY CA C 35 43.302 43.302 45.233 -1.931 25872 186 1 . 1 1 35 35 GLY H H 35 8.192 8.192 8.236 -0.044 25872 187 1 . 1 1 36 36 ARG N N 36 119.296 119.296 121.689 -2.392 25872 188 1 . 1 1 36 36 ARG HA H 36 4.474 4.474 4.464 0.010 25872 189 1 . 1 1 36 36 ARG C C 36 173.530 173.530 176.004 -2.474 25872 190 1 . 1 1 36 36 ARG CA C 36 53.566 53.566 55.622 -2.056 25872 191 1 . 1 1 36 36 ARG CB C 36 28.281 28.281 31.231 -2.950 25872 192 1 . 1 1 36 36 ARG H H 36 7.991 7.991 8.111 -0.119 25872 193 1 . 1 1 37 37 ARG N N 37 120.950 120.950 122.886 -1.936 25872 194 1 . 1 1 37 37 ARG HA H 37 4.460 4.460 4.427 0.033 25872 195 1 . 1 1 37 37 ARG C C 37 173.411 173.411 175.613 -2.202 25872 196 1 . 1 1 37 37 ARG CA C 37 53.772 53.772 55.818 -2.046 25872 197 1 . 1 1 37 37 ARG CB C 37 28.416 28.416 31.252 -2.835 25872 198 1 . 1 1 37 37 ARG H H 37 8.320 8.320 8.493 -0.173 25872 199 1 . 1 1 38 38 ASN HA H 38 4.806 4.806 4.802 0.004 25872 200 1 . 1 1 38 38 ASN C C 38 171.383 171.383 174.832 -3.449 25872 201 1 . 1 1 38 38 ASN CA C 38 51.070 51.070 52.958 -1.888 25872 stop_ save_