data_25516 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25516 _Entry.PDB_ID 2N07 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 25516 _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 HIS HA H 2 4.157 4.157 4.694 -0.537 25516 2 1 1 . 1 1 2 2 HIS H H 2 8.567 8.567 8.513 0.054 25516 3 1 1 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.722 -0.458 25516 4 1 1 . 1 1 3 3 CYS H H 3 7.901 7.901 7.748 0.153 25516 5 1 1 . 1 1 4 4 SER HA H 4 3.996 3.996 4.345 -0.349 25516 6 1 1 . 1 1 4 4 SER CA C 4 59.701 59.701 58.952 0.749 25516 7 1 1 . 1 1 4 4 SER CB C 4 62.904 62.904 63.337 -0.432 25516 8 1 1 . 1 1 4 4 SER H H 4 7.625 7.625 7.992 -0.367 25516 9 1 1 . 1 1 5 5 ASP HA H 5 4.786 4.786 4.858 -0.072 25516 10 1 1 . 1 1 5 5 ASP H H 5 7.500 7.500 7.345 0.155 25516 11 1 1 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.302 -0.232 25516 12 1 1 . 1 1 6 6 PRO CA C 6 64.972 64.972 65.058 -0.086 25516 13 1 1 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.335 -0.421 25516 14 1 1 . 1 1 7 7 ARG H H 7 7.791 7.791 8.682 -0.891 25516 15 1 1 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.237 -0.223 25516 16 1 1 . 1 1 8 8 PHE CB C 8 39.153 39.153 38.832 0.321 25516 17 1 1 . 1 1 8 8 PHE H H 8 7.691 7.691 8.550 -0.859 25516 18 1 1 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.283 -0.130 25516 19 1 1 . 1 1 9 9 ASN H H 9 8.578 8.578 7.939 0.639 25516 20 1 1 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.268 -0.516 25516 21 1 1 . 1 1 10 10 TYR H H 10 7.664 7.664 7.446 0.218 25516 22 1 1 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.104 -0.116 25516 23 1 1 . 1 1 11 11 ASP H H 11 7.710 7.710 8.469 -0.759 25516 24 1 1 . 1 1 12 12 HIS HA H 12 4.994 4.994 5.049 -0.055 25516 25 1 1 . 1 1 12 12 HIS CB C 12 27.882 27.882 29.032 -1.150 25516 26 1 1 . 1 1 12 12 HIS H H 12 7.287 7.287 8.102 -0.815 25516 27 1 1 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.465 -0.278 25516 28 1 1 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.073 -0.090 25516 29 1 1 . 1 1 14 14 GLU CA C 14 58.408 58.408 58.769 -0.361 25516 30 1 1 . 1 1 14 14 GLU CB C 14 27.347 27.347 27.781 -0.434 25516 31 1 1 . 1 1 14 14 GLU H H 14 9.338 9.338 8.652 0.686 25516 32 1 1 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.853 0.130 25516 33 1 1 . 1 1 15 15 ILE H H 15 7.160 7.160 7.751 -0.591 25516 34 1 1 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.461 0.266 25516 35 1 1 . 1 1 16 16 CYS H H 16 8.042 8.042 7.657 0.385 25516 36 1 1 . 1 1 17 17 GLY CA C 17 46.446 46.446 46.327 0.119 25516 37 1 1 . 1 1 17 17 GLY H H 17 8.191 8.191 8.491 -0.300 25516 38 1 1 . 1 1 18 18 GLY H H 18 8.150 8.150 8.130 0.020 25516 39 1 1 . 1 1 19 19 ALA HA H 19 4.080 4.080 4.594 -0.514 25516 40 1 1 . 1 1 19 19 ALA CB C 19 19.393 19.393 20.617 -1.224 25516 41 1 1 . 1 1 19 19 ALA H H 19 7.782 7.782 7.630 0.152 25516 42 1 1 . 1 1 20 20 ALA HA H 20 3.994 3.994 4.173 -0.179 25516 43 1 1 . 1 1 20 20 ALA H H 20 8.238 8.238 8.634 -0.396 25516 44 1 1 . 1 1 21 21 GLY H H 21 8.180 8.180 8.285 -0.105 25516 45 1 2 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.760 -0.603 25516 46 1 2 . 1 1 2 2 HIS H H 2 8.567 8.567 8.248 0.319 25516 47 1 2 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.875 -0.611 25516 48 1 2 . 1 1 3 3 CYS H H 3 7.901 7.901 7.990 -0.089 25516 49 1 2 . 1 1 4 4 SER HA H 4 3.996 3.996 4.505 -0.509 25516 50 1 2 . 1 1 4 4 SER CA C 4 59.701 59.701 59.845 -0.144 25516 51 1 2 . 1 1 4 4 SER CB C 4 62.904 62.904 63.436 -0.532 25516 52 1 2 . 1 1 4 4 SER H H 4 7.625 7.625 7.922 -0.297 25516 53 1 2 . 1 1 5 5 ASP HA H 5 4.786 4.786 4.961 -0.175 25516 54 1 2 . 1 1 5 5 ASP H H 5 7.500 7.500 7.715 -0.215 25516 55 1 2 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.294 -0.224 25516 56 1 2 . 1 1 6 6 PRO CA C 6 64.972 64.972 65.069 -0.097 25516 57 1 2 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.207 -0.293 25516 58 1 2 . 1 1 7 7 ARG H H 7 7.791 7.791 8.843 -1.052 25516 59 1 2 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.297 -0.283 25516 60 1 2 . 1 1 8 8 PHE CB C 8 39.153 39.153 38.763 0.390 25516 61 1 2 . 1 1 8 8 PHE H H 8 7.691 7.691 9.084 -1.393 25516 62 1 2 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.339 -0.186 25516 63 1 2 . 1 1 9 9 ASN H H 9 8.578 8.578 7.871 0.707 25516 64 1 2 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.294 -0.542 25516 65 1 2 . 1 1 10 10 TYR H H 10 7.664 7.664 8.227 -0.563 25516 66 1 2 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.232 -0.244 25516 67 1 2 . 1 1 11 11 ASP H H 11 7.710 7.710 8.454 -0.744 25516 68 1 2 . 1 1 12 12 HIS HA H 12 4.994 4.994 4.887 0.107 25516 69 1 2 . 1 1 12 12 HIS CB C 12 27.882 27.882 31.276 -3.394 25516 70 1 2 . 1 1 12 12 HIS H H 12 7.287 7.287 7.610 -0.323 25516 71 1 2 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.589 -0.402 25516 72 1 2 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.100 -0.117 25516 73 1 2 . 1 1 14 14 GLU CA C 14 58.408 58.408 58.365 0.043 25516 74 1 2 . 1 1 14 14 GLU CB C 14 27.347 27.347 27.800 -0.453 25516 75 1 2 . 1 1 14 14 GLU H H 14 9.338 9.338 8.596 0.742 25516 76 1 2 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.869 0.114 25516 77 1 2 . 1 1 15 15 ILE H H 15 7.160 7.160 7.987 -0.827 25516 78 1 2 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.569 0.158 25516 79 1 2 . 1 1 16 16 CYS H H 16 8.042 8.042 7.532 0.510 25516 80 1 2 . 1 1 17 17 GLY CA C 17 46.446 46.446 46.278 0.168 25516 81 1 2 . 1 1 17 17 GLY H H 17 8.191 8.191 7.999 0.192 25516 82 1 2 . 1 1 18 18 GLY H H 18 8.150 8.150 8.508 -0.358 25516 83 1 2 . 1 1 19 19 ALA HA H 19 4.080 4.080 4.349 -0.269 25516 84 1 2 . 1 1 19 19 ALA CB C 19 19.393 19.393 19.358 0.035 25516 85 1 2 . 1 1 19 19 ALA H H 19 7.782 7.782 7.605 0.177 25516 86 1 2 . 1 1 20 20 ALA HA H 20 3.994 3.994 4.351 -0.357 25516 87 1 2 . 1 1 20 20 ALA H H 20 8.238 8.238 8.746 -0.508 25516 88 1 2 . 1 1 21 21 GLY H H 21 8.180 8.180 7.899 0.281 25516 89 1 3 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.679 -0.522 25516 90 1 3 . 1 1 2 2 HIS H H 2 8.567 8.567 7.950 0.617 25516 91 1 3 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.512 -0.248 25516 92 1 3 . 1 1 3 3 CYS H H 3 7.901 7.901 7.478 0.423 25516 93 1 3 . 1 1 4 4 SER HA H 4 3.996 3.996 4.360 -0.364 25516 94 1 3 . 1 1 4 4 SER CA C 4 59.701 59.701 59.250 0.451 25516 95 1 3 . 1 1 4 4 SER CB C 4 62.904 62.904 61.410 1.494 25516 96 1 3 . 1 1 4 4 SER H H 4 7.625 7.625 8.219 -0.594 25516 97 1 3 . 1 1 5 5 ASP HA H 5 4.786 4.786 4.896 -0.110 25516 98 1 3 . 1 1 5 5 ASP H H 5 7.500 7.500 8.040 -0.540 25516 99 1 3 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.502 -0.432 25516 100 1 3 . 1 1 6 6 PRO CA C 6 64.972 64.972 64.847 0.124 25516 101 1 3 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.166 -0.252 25516 102 1 3 . 1 1 7 7 ARG H H 7 7.791 7.791 8.449 -0.658 25516 103 1 3 . 1 1 8 8 PHE HA H 8 4.014 4.014 5.142 -1.128 25516 104 1 3 . 1 1 8 8 PHE CB C 8 39.153 39.153 39.115 0.038 25516 105 1 3 . 1 1 8 8 PHE H H 8 7.691 7.691 7.915 -0.224 25516 106 1 3 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.441 -0.288 25516 107 1 3 . 1 1 9 9 ASN H H 9 8.578 8.578 8.216 0.362 25516 108 1 3 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.430 -0.678 25516 109 1 3 . 1 1 10 10 TYR H H 10 7.664 7.664 7.672 -0.008 25516 110 1 3 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.068 -0.080 25516 111 1 3 . 1 1 11 11 ASP H H 11 7.710 7.710 8.380 -0.670 25516 112 1 3 . 1 1 12 12 HIS HA H 12 4.994 4.994 4.774 0.220 25516 113 1 3 . 1 1 12 12 HIS CB C 12 27.882 27.882 29.736 -1.854 25516 114 1 3 . 1 1 12 12 HIS H H 12 7.287 7.287 7.842 -0.555 25516 115 1 3 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.213 -0.026 25516 116 1 3 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.014 -0.031 25516 117 1 3 . 1 1 14 14 GLU CA C 14 58.408 58.408 59.554 -1.146 25516 118 1 3 . 1 1 14 14 GLU CB C 14 27.347 27.347 28.197 -0.850 25516 119 1 3 . 1 1 14 14 GLU H H 14 9.338 9.338 8.760 0.578 25516 120 1 3 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.854 0.129 25516 121 1 3 . 1 1 15 15 ILE H H 15 7.160 7.160 7.454 -0.294 25516 122 1 3 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.346 0.381 25516 123 1 3 . 1 1 16 16 CYS H H 16 8.042 8.042 7.666 0.376 25516 124 1 3 . 1 1 17 17 GLY CA C 17 46.446 46.446 46.757 -0.311 25516 125 1 3 . 1 1 17 17 GLY H H 17 8.191 8.191 8.828 -0.637 25516 126 1 3 . 1 1 18 18 GLY H H 18 8.150 8.150 8.330 -0.180 25516 127 1 3 . 1 1 19 19 ALA HA H 19 4.080 4.080 4.419 -0.339 25516 128 1 3 . 1 1 19 19 ALA CB C 19 19.393 19.393 19.525 -0.132 25516 129 1 3 . 1 1 19 19 ALA H H 19 7.782 7.782 7.701 0.081 25516 130 1 3 . 1 1 20 20 ALA HA H 20 3.994 3.994 4.048 -0.054 25516 131 1 3 . 1 1 20 20 ALA H H 20 8.238 8.238 8.515 -0.277 25516 132 1 3 . 1 1 21 21 GLY H H 21 8.180 8.180 8.380 -0.200 25516 133 1 4 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.734 -0.577 25516 134 1 4 . 1 1 2 2 HIS H H 2 8.567 8.567 8.445 0.122 25516 135 1 4 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.623 -0.359 25516 136 1 4 . 1 1 3 3 CYS H H 3 7.901 7.901 8.574 -0.673 25516 137 1 4 . 1 1 4 4 SER HA H 4 3.996 3.996 4.355 -0.359 25516 138 1 4 . 1 1 4 4 SER CA C 4 59.701 59.701 59.879 -0.178 25516 139 1 4 . 1 1 4 4 SER CB C 4 62.904 62.904 63.419 -0.515 25516 140 1 4 . 1 1 4 4 SER H H 4 7.625 7.625 7.960 -0.335 25516 141 1 4 . 1 1 5 5 ASP HA H 5 4.786 4.786 4.872 -0.086 25516 142 1 4 . 1 1 5 5 ASP H H 5 7.500 7.500 7.407 0.093 25516 143 1 4 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.253 -0.183 25516 144 1 4 . 1 1 6 6 PRO CA C 6 64.972 64.972 65.221 -0.249 25516 145 1 4 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.203 -0.289 25516 146 1 4 . 1 1 7 7 ARG H H 7 7.791 7.791 7.852 -0.061 25516 147 1 4 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.296 -0.282 25516 148 1 4 . 1 1 8 8 PHE CB C 8 39.153 39.153 39.058 0.095 25516 149 1 4 . 1 1 8 8 PHE H H 8 7.691 7.691 8.090 -0.399 25516 150 1 4 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.300 -0.147 25516 151 1 4 . 1 1 9 9 ASN H H 9 8.578 8.578 7.904 0.674 25516 152 1 4 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.341 -0.589 25516 153 1 4 . 1 1 10 10 TYR H H 10 7.664 7.664 7.441 0.223 25516 154 1 4 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.066 -0.078 25516 155 1 4 . 1 1 11 11 ASP H H 11 7.710 7.710 8.330 -0.620 25516 156 1 4 . 1 1 12 12 HIS HA H 12 4.994 4.994 4.984 0.010 25516 157 1 4 . 1 1 12 12 HIS CB C 12 27.882 27.882 29.196 -1.314 25516 158 1 4 . 1 1 12 12 HIS H H 12 7.287 7.287 8.133 -0.846 25516 159 1 4 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.321 -0.134 25516 160 1 4 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.012 -0.029 25516 161 1 4 . 1 1 14 14 GLU CA C 14 58.408 58.408 59.041 -0.633 25516 162 1 4 . 1 1 14 14 GLU CB C 14 27.347 27.347 27.849 -0.502 25516 163 1 4 . 1 1 14 14 GLU H H 14 9.338 9.338 8.579 0.759 25516 164 1 4 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.845 0.138 25516 165 1 4 . 1 1 15 15 ILE H H 15 7.160 7.160 7.794 -0.634 25516 166 1 4 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.414 0.313 25516 167 1 4 . 1 1 16 16 CYS H H 16 8.042 8.042 7.743 0.299 25516 168 1 4 . 1 1 17 17 GLY CA C 17 46.446 46.446 46.582 -0.136 25516 169 1 4 . 1 1 17 17 GLY H H 17 8.191 8.191 8.602 -0.411 25516 170 1 4 . 1 1 18 18 GLY H H 18 8.150 8.150 8.307 -0.157 25516 171 1 4 . 1 1 19 19 ALA HA H 19 4.080 4.080 4.492 -0.411 25516 172 1 4 . 1 1 19 19 ALA CB C 19 19.393 19.393 19.285 0.108 25516 173 1 4 . 1 1 19 19 ALA H H 19 7.782 7.782 7.730 0.052 25516 174 1 4 . 1 1 20 20 ALA HA H 20 3.994 3.994 4.132 -0.138 25516 175 1 4 . 1 1 20 20 ALA H H 20 8.238 8.238 8.767 -0.529 25516 176 1 4 . 1 1 21 21 GLY H H 21 8.180 8.180 8.357 -0.177 25516 177 1 5 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.602 -0.445 25516 178 1 5 . 1 1 2 2 HIS H H 2 8.567 8.567 8.442 0.125 25516 179 1 5 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.567 -0.303 25516 180 1 5 . 1 1 3 3 CYS H H 3 7.901 7.901 8.065 -0.164 25516 181 1 5 . 1 1 4 4 SER HA H 4 3.996 3.996 4.266 -0.270 25516 182 1 5 . 1 1 4 4 SER CA C 4 59.701 59.701 60.315 -0.614 25516 183 1 5 . 1 1 4 4 SER CB C 4 62.904 62.904 63.304 -0.400 25516 184 1 5 . 1 1 4 4 SER H H 4 7.625 7.625 7.832 -0.207 25516 185 1 5 . 1 1 5 5 ASP HA H 5 4.786 4.786 4.993 -0.207 25516 186 1 5 . 1 1 5 5 ASP H H 5 7.500 7.500 7.736 -0.236 25516 187 1 5 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.503 -0.433 25516 188 1 5 . 1 1 6 6 PRO CA C 6 64.972 64.972 64.801 0.171 25516 189 1 5 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.125 -0.211 25516 190 1 5 . 1 1 7 7 ARG H H 7 7.791 7.791 8.610 -0.819 25516 191 1 5 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.773 -0.759 25516 192 1 5 . 1 1 8 8 PHE CB C 8 39.153 39.153 38.682 0.471 25516 193 1 5 . 1 1 8 8 PHE H H 8 7.691 7.691 7.802 -0.111 25516 194 1 5 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.313 -0.160 25516 195 1 5 . 1 1 9 9 ASN H H 9 8.578 8.578 7.621 0.957 25516 196 1 5 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.292 -0.540 25516 197 1 5 . 1 1 10 10 TYR H H 10 7.664 7.664 7.646 0.018 25516 198 1 5 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.082 -0.094 25516 199 1 5 . 1 1 11 11 ASP H H 11 7.710 7.710 7.884 -0.174 25516 200 1 5 . 1 1 12 12 HIS HA H 12 4.994 4.994 4.860 0.134 25516 201 1 5 . 1 1 12 12 HIS CB C 12 27.882 27.882 29.948 -2.066 25516 202 1 5 . 1 1 12 12 HIS H H 12 7.287 7.287 7.593 -0.306 25516 203 1 5 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.464 -0.277 25516 204 1 5 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.083 -0.101 25516 205 1 5 . 1 1 14 14 GLU CA C 14 58.408 58.408 58.361 0.047 25516 206 1 5 . 1 1 14 14 GLU CB C 14 27.347 27.347 27.406 -0.059 25516 207 1 5 . 1 1 14 14 GLU H H 14 9.338 9.338 8.541 0.797 25516 208 1 5 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.837 0.146 25516 209 1 5 . 1 1 15 15 ILE H H 15 7.160 7.160 8.050 -0.890 25516 210 1 5 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.739 -0.012 25516 211 1 5 . 1 1 16 16 CYS H H 16 8.042 8.042 7.680 0.362 25516 212 1 5 . 1 1 17 17 GLY CA C 17 46.446 46.446 45.980 0.466 25516 213 1 5 . 1 1 17 17 GLY H H 17 8.191 8.191 8.289 -0.098 25516 214 1 5 . 1 1 18 18 GLY H H 18 8.150 8.150 7.308 0.842 25516 215 1 5 . 1 1 19 19 ALA HA H 19 4.080 4.080 3.889 0.191 25516 216 1 5 . 1 1 19 19 ALA CB C 19 19.393 19.393 17.865 1.528 25516 217 1 5 . 1 1 19 19 ALA H H 19 7.782 7.782 9.530 -1.748 25516 218 1 5 . 1 1 20 20 ALA HA H 20 3.994 3.994 3.946 0.048 25516 219 1 5 . 1 1 20 20 ALA H H 20 8.238 8.238 8.368 -0.130 25516 220 1 5 . 1 1 21 21 GLY H H 21 8.180 8.180 8.346 -0.166 25516 221 1 6 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.956 -0.799 25516 222 1 6 . 1 1 2 2 HIS H H 2 8.567 8.567 8.440 0.127 25516 223 1 6 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.832 -0.568 25516 224 1 6 . 1 1 3 3 CYS H H 3 7.901 7.901 7.881 0.020 25516 225 1 6 . 1 1 4 4 SER HA H 4 3.996 3.996 4.452 -0.456 25516 226 1 6 . 1 1 4 4 SER CA C 4 59.701 59.701 60.449 -0.748 25516 227 1 6 . 1 1 4 4 SER CB C 4 62.904 62.904 63.618 -0.714 25516 228 1 6 . 1 1 4 4 SER H H 4 7.625 7.625 8.208 -0.583 25516 229 1 6 . 1 1 5 5 ASP HA H 5 4.786 4.786 5.051 -0.265 25516 230 1 6 . 1 1 5 5 ASP H H 5 7.500 7.500 7.699 -0.199 25516 231 1 6 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.307 -0.237 25516 232 1 6 . 1 1 6 6 PRO CA C 6 64.972 64.972 65.153 -0.181 25516 233 1 6 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.221 -0.307 25516 234 1 6 . 1 1 7 7 ARG H H 7 7.791 7.791 8.452 -0.661 25516 235 1 6 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.210 -0.196 25516 236 1 6 . 1 1 8 8 PHE CB C 8 39.153 39.153 39.002 0.151 25516 237 1 6 . 1 1 8 8 PHE H H 8 7.691 7.691 9.210 -1.519 25516 238 1 6 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.256 -0.103 25516 239 1 6 . 1 1 9 9 ASN H H 9 8.578 8.578 8.150 0.428 25516 240 1 6 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.305 -0.553 25516 241 1 6 . 1 1 10 10 TYR H H 10 7.664 7.664 7.419 0.245 25516 242 1 6 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.076 -0.088 25516 243 1 6 . 1 1 11 11 ASP H H 11 7.710 7.710 8.375 -0.665 25516 244 1 6 . 1 1 12 12 HIS HA H 12 4.994 4.994 5.026 -0.032 25516 245 1 6 . 1 1 12 12 HIS CB C 12 27.882 27.882 29.326 -1.444 25516 246 1 6 . 1 1 12 12 HIS H H 12 7.287 7.287 8.068 -0.781 25516 247 1 6 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.330 -0.143 25516 248 1 6 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.044 -0.061 25516 249 1 6 . 1 1 14 14 GLU CA C 14 58.408 58.408 59.170 -0.762 25516 250 1 6 . 1 1 14 14 GLU CB C 14 27.347 27.347 27.592 -0.245 25516 251 1 6 . 1 1 14 14 GLU H H 14 9.338 9.338 8.770 0.568 25516 252 1 6 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.821 0.162 25516 253 1 6 . 1 1 15 15 ILE H H 15 7.160 7.160 7.671 -0.511 25516 254 1 6 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.266 0.461 25516 255 1 6 . 1 1 16 16 CYS H H 16 8.042 8.042 7.737 0.305 25516 256 1 6 . 1 1 17 17 GLY CA C 17 46.446 46.446 47.105 -0.659 25516 257 1 6 . 1 1 17 17 GLY H H 17 8.191 8.191 8.556 -0.365 25516 258 1 6 . 1 1 18 18 GLY H H 18 8.150 8.150 8.234 -0.084 25516 259 1 6 . 1 1 19 19 ALA HA H 19 4.080 4.080 4.274 -0.194 25516 260 1 6 . 1 1 19 19 ALA CB C 19 19.393 19.393 18.827 0.566 25516 261 1 6 . 1 1 19 19 ALA H H 19 7.782 7.782 7.652 0.130 25516 262 1 6 . 1 1 20 20 ALA HA H 20 3.994 3.994 4.069 -0.075 25516 263 1 6 . 1 1 20 20 ALA H H 20 8.238 8.238 7.447 0.791 25516 264 1 6 . 1 1 21 21 GLY H H 21 8.180 8.180 7.958 0.222 25516 265 1 7 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.765 -0.608 25516 266 1 7 . 1 1 2 2 HIS H H 2 8.567 8.567 8.692 -0.125 25516 267 1 7 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.564 -0.300 25516 268 1 7 . 1 1 3 3 CYS H H 3 7.901 7.901 8.377 -0.476 25516 269 1 7 . 1 1 4 4 SER HA H 4 3.996 3.996 4.276 -0.280 25516 270 1 7 . 1 1 4 4 SER CA C 4 59.701 59.701 59.777 -0.076 25516 271 1 7 . 1 1 4 4 SER CB C 4 62.904 62.904 63.244 -0.340 25516 272 1 7 . 1 1 4 4 SER H H 4 7.625 7.625 7.936 -0.311 25516 273 1 7 . 1 1 5 5 ASP HA H 5 4.786 4.786 4.778 0.008 25516 274 1 7 . 1 1 5 5 ASP H H 5 7.500 7.500 7.368 0.132 25516 275 1 7 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.413 -0.343 25516 276 1 7 . 1 1 6 6 PRO CA C 6 64.972 64.972 64.793 0.179 25516 277 1 7 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.179 -0.265 25516 278 1 7 . 1 1 7 7 ARG H H 7 7.791 7.791 8.360 -0.569 25516 279 1 7 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.868 -0.854 25516 280 1 7 . 1 1 8 8 PHE CB C 8 39.153 39.153 39.013 0.140 25516 281 1 7 . 1 1 8 8 PHE H H 8 7.691 7.691 7.827 -0.136 25516 282 1 7 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.298 -0.145 25516 283 1 7 . 1 1 9 9 ASN H H 9 8.578 8.578 7.915 0.663 25516 284 1 7 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.342 -0.590 25516 285 1 7 . 1 1 10 10 TYR H H 10 7.664 7.664 7.667 -0.003 25516 286 1 7 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.141 -0.153 25516 287 1 7 . 1 1 11 11 ASP H H 11 7.710 7.710 8.059 -0.349 25516 288 1 7 . 1 1 12 12 HIS HA H 12 4.994 4.994 5.148 -0.154 25516 289 1 7 . 1 1 12 12 HIS CB C 12 27.882 27.882 30.021 -2.139 25516 290 1 7 . 1 1 12 12 HIS H H 12 7.287 7.287 7.810 -0.523 25516 291 1 7 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.415 -0.228 25516 292 1 7 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.096 -0.113 25516 293 1 7 . 1 1 14 14 GLU CA C 14 58.408 58.408 58.598 -0.190 25516 294 1 7 . 1 1 14 14 GLU CB C 14 27.347 27.347 27.666 -0.319 25516 295 1 7 . 1 1 14 14 GLU H H 14 9.338 9.338 8.768 0.570 25516 296 1 7 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.903 0.080 25516 297 1 7 . 1 1 15 15 ILE H H 15 7.160 7.160 7.341 -0.181 25516 298 1 7 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.708 0.019 25516 299 1 7 . 1 1 16 16 CYS H H 16 8.042 8.042 7.558 0.484 25516 300 1 7 . 1 1 17 17 GLY CA C 17 46.446 46.446 47.414 -0.968 25516 301 1 7 . 1 1 17 17 GLY H H 17 8.191 8.191 8.343 -0.152 25516 302 1 7 . 1 1 18 18 GLY H H 18 8.150 8.150 7.983 0.167 25516 303 1 7 . 1 1 19 19 ALA HA H 19 4.080 4.080 4.536 -0.456 25516 304 1 7 . 1 1 19 19 ALA CB C 19 19.393 19.393 17.465 1.927 25516 305 1 7 . 1 1 19 19 ALA H H 19 7.782 7.782 8.163 -0.381 25516 306 1 7 . 1 1 20 20 ALA HA H 20 3.994 3.994 4.491 -0.497 25516 307 1 7 . 1 1 20 20 ALA H H 20 8.238 8.238 7.723 0.515 25516 308 1 7 . 1 1 21 21 GLY H H 21 8.180 8.180 8.225 -0.045 25516 309 1 8 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.922 -0.765 25516 310 1 8 . 1 1 2 2 HIS H H 2 8.567 8.567 8.184 0.383 25516 311 1 8 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.655 -0.391 25516 312 1 8 . 1 1 3 3 CYS H H 3 7.901 7.901 8.436 -0.535 25516 313 1 8 . 1 1 4 4 SER HA H 4 3.996 3.996 4.320 -0.324 25516 314 1 8 . 1 1 4 4 SER CA C 4 59.701 59.701 59.069 0.632 25516 315 1 8 . 1 1 4 4 SER CB C 4 62.904 62.904 62.883 0.021 25516 316 1 8 . 1 1 4 4 SER H H 4 7.625 7.625 8.067 -0.442 25516 317 1 8 . 1 1 5 5 ASP HA H 5 4.786 4.786 4.911 -0.125 25516 318 1 8 . 1 1 5 5 ASP H H 5 7.500 7.500 7.287 0.213 25516 319 1 8 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.307 -0.237 25516 320 1 8 . 1 1 6 6 PRO CA C 6 64.972 64.972 64.889 0.083 25516 321 1 8 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.228 -0.314 25516 322 1 8 . 1 1 7 7 ARG H H 7 7.791 7.791 8.319 -0.528 25516 323 1 8 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.285 -0.271 25516 324 1 8 . 1 1 8 8 PHE CB C 8 39.153 39.153 39.137 0.016 25516 325 1 8 . 1 1 8 8 PHE H H 8 7.691 7.691 8.107 -0.416 25516 326 1 8 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.354 -0.201 25516 327 1 8 . 1 1 9 9 ASN H H 9 8.578 8.578 8.025 0.553 25516 328 1 8 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.338 -0.586 25516 329 1 8 . 1 1 10 10 TYR H H 10 7.664 7.664 7.800 -0.136 25516 330 1 8 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.122 -0.134 25516 331 1 8 . 1 1 11 11 ASP H H 11 7.710 7.710 8.007 -0.297 25516 332 1 8 . 1 1 12 12 HIS HA H 12 4.994 4.994 4.857 0.137 25516 333 1 8 . 1 1 12 12 HIS CB C 12 27.882 27.882 30.425 -2.543 25516 334 1 8 . 1 1 12 12 HIS H H 12 7.287 7.287 8.006 -0.719 25516 335 1 8 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.266 -0.079 25516 336 1 8 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.024 -0.041 25516 337 1 8 . 1 1 14 14 GLU CA C 14 58.408 58.408 59.216 -0.808 25516 338 1 8 . 1 1 14 14 GLU CB C 14 27.347 27.347 28.131 -0.784 25516 339 1 8 . 1 1 14 14 GLU H H 14 9.338 9.338 8.680 0.658 25516 340 1 8 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.734 0.249 25516 341 1 8 . 1 1 15 15 ILE H H 15 7.160 7.160 7.550 -0.390 25516 342 1 8 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.356 0.371 25516 343 1 8 . 1 1 16 16 CYS H H 16 8.042 8.042 8.062 -0.020 25516 344 1 8 . 1 1 17 17 GLY CA C 17 46.446 46.446 46.079 0.367 25516 345 1 8 . 1 1 17 17 GLY H H 17 8.191 8.191 8.495 -0.304 25516 346 1 8 . 1 1 18 18 GLY H H 18 8.150 8.150 7.902 0.248 25516 347 1 8 . 1 1 19 19 ALA HA H 19 4.080 4.080 4.564 -0.483 25516 348 1 8 . 1 1 19 19 ALA CB C 19 19.393 19.393 20.094 -0.701 25516 349 1 8 . 1 1 19 19 ALA H H 19 7.782 7.782 7.785 -0.003 25516 350 1 8 . 1 1 20 20 ALA HA H 20 3.994 3.994 4.023 -0.029 25516 351 1 8 . 1 1 20 20 ALA H H 20 8.238 8.238 8.378 -0.140 25516 352 1 8 . 1 1 21 21 GLY H H 21 8.180 8.180 8.745 -0.565 25516 353 1 9 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.709 -0.552 25516 354 1 9 . 1 1 2 2 HIS H H 2 8.567 8.567 8.323 0.244 25516 355 1 9 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.627 -0.363 25516 356 1 9 . 1 1 3 3 CYS H H 3 7.901 7.901 8.378 -0.477 25516 357 1 9 . 1 1 4 4 SER HA H 4 3.996 3.996 4.260 -0.264 25516 358 1 9 . 1 1 4 4 SER CA C 4 59.701 59.701 60.210 -0.509 25516 359 1 9 . 1 1 4 4 SER CB C 4 62.904 62.904 63.120 -0.216 25516 360 1 9 . 1 1 4 4 SER H H 4 7.625 7.625 8.053 -0.428 25516 361 1 9 . 1 1 5 5 ASP HA H 5 4.786 4.786 4.963 -0.177 25516 362 1 9 . 1 1 5 5 ASP H H 5 7.500 7.500 7.337 0.163 25516 363 1 9 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.262 -0.192 25516 364 1 9 . 1 1 6 6 PRO CA C 6 64.972 64.972 64.913 0.059 25516 365 1 9 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.149 -0.235 25516 366 1 9 . 1 1 7 7 ARG H H 7 7.791 7.791 8.761 -0.970 25516 367 1 9 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.328 -0.314 25516 368 1 9 . 1 1 8 8 PHE CB C 8 39.153 39.153 39.156 -0.003 25516 369 1 9 . 1 1 8 8 PHE H H 8 7.691 7.691 7.937 -0.246 25516 370 1 9 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.360 -0.207 25516 371 1 9 . 1 1 9 9 ASN H H 9 8.578 8.578 7.863 0.715 25516 372 1 9 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.325 -0.573 25516 373 1 9 . 1 1 10 10 TYR H H 10 7.664 7.664 7.403 0.261 25516 374 1 9 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.028 -0.040 25516 375 1 9 . 1 1 11 11 ASP H H 11 7.710 7.710 7.889 -0.179 25516 376 1 9 . 1 1 12 12 HIS HA H 12 4.994 4.994 4.863 0.131 25516 377 1 9 . 1 1 12 12 HIS CB C 12 27.882 27.882 30.110 -2.228 25516 378 1 9 . 1 1 12 12 HIS H H 12 7.287 7.287 8.060 -0.773 25516 379 1 9 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.341 -0.154 25516 380 1 9 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.033 -0.050 25516 381 1 9 . 1 1 14 14 GLU CA C 14 58.408 58.408 59.291 -0.883 25516 382 1 9 . 1 1 14 14 GLU CB C 14 27.347 27.347 28.234 -0.887 25516 383 1 9 . 1 1 14 14 GLU H H 14 9.338 9.338 8.562 0.776 25516 384 1 9 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.785 0.198 25516 385 1 9 . 1 1 15 15 ILE H H 15 7.160 7.160 7.481 -0.321 25516 386 1 9 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.385 0.342 25516 387 1 9 . 1 1 16 16 CYS H H 16 8.042 8.042 7.967 0.075 25516 388 1 9 . 1 1 17 17 GLY CA C 17 46.446 46.446 46.053 0.393 25516 389 1 9 . 1 1 17 17 GLY H H 17 8.191 8.191 8.249 -0.058 25516 390 1 9 . 1 1 18 18 GLY H H 18 8.150 8.150 7.899 0.251 25516 391 1 9 . 1 1 19 19 ALA HA H 19 4.080 4.080 4.487 -0.407 25516 392 1 9 . 1 1 19 19 ALA CB C 19 19.393 19.393 19.623 -0.230 25516 393 1 9 . 1 1 19 19 ALA H H 19 7.782 7.782 8.059 -0.277 25516 394 1 9 . 1 1 20 20 ALA HA H 20 3.994 3.994 4.354 -0.360 25516 395 1 9 . 1 1 20 20 ALA H H 20 8.238 8.238 8.053 0.185 25516 396 1 9 . 1 1 21 21 GLY H H 21 8.180 8.180 8.540 -0.360 25516 397 1 10 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.885 -0.728 25516 398 1 10 . 1 1 2 2 HIS H H 2 8.567 8.567 8.502 0.065 25516 399 1 10 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.964 -0.700 25516 400 1 10 . 1 1 3 3 CYS H H 3 7.901 7.901 7.654 0.247 25516 401 1 10 . 1 1 4 4 SER HA H 4 3.996 3.996 4.440 -0.444 25516 402 1 10 . 1 1 4 4 SER CA C 4 59.701 59.701 60.542 -0.841 25516 403 1 10 . 1 1 4 4 SER CB C 4 62.904 62.904 63.481 -0.577 25516 404 1 10 . 1 1 4 4 SER H H 4 7.625 7.625 8.183 -0.558 25516 405 1 10 . 1 1 5 5 ASP HA H 5 4.786 4.786 4.955 -0.169 25516 406 1 10 . 1 1 5 5 ASP H H 5 7.500 7.500 7.711 -0.211 25516 407 1 10 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.228 -0.158 25516 408 1 10 . 1 1 6 6 PRO CA C 6 64.972 64.972 65.209 -0.237 25516 409 1 10 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.233 -0.319 25516 410 1 10 . 1 1 7 7 ARG H H 7 7.791 7.791 8.032 -0.241 25516 411 1 10 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.219 -0.205 25516 412 1 10 . 1 1 8 8 PHE CB C 8 39.153 39.153 38.876 0.277 25516 413 1 10 . 1 1 8 8 PHE H H 8 7.691 7.691 9.311 -1.620 25516 414 1 10 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.371 -0.218 25516 415 1 10 . 1 1 9 9 ASN H H 9 8.578 8.578 7.996 0.582 25516 416 1 10 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.309 -0.557 25516 417 1 10 . 1 1 10 10 TYR H H 10 7.664 7.664 7.505 0.159 25516 418 1 10 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.110 -0.122 25516 419 1 10 . 1 1 11 11 ASP H H 11 7.710 7.710 8.351 -0.641 25516 420 1 10 . 1 1 12 12 HIS HA H 12 4.994 4.994 5.003 -0.009 25516 421 1 10 . 1 1 12 12 HIS CB C 12 27.882 27.882 29.089 -1.207 25516 422 1 10 . 1 1 12 12 HIS H H 12 7.287 7.287 7.946 -0.659 25516 423 1 10 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.402 -0.215 25516 424 1 10 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.115 -0.132 25516 425 1 10 . 1 1 14 14 GLU CA C 14 58.408 58.408 58.739 -0.331 25516 426 1 10 . 1 1 14 14 GLU CB C 14 27.347 27.347 28.026 -0.679 25516 427 1 10 . 1 1 14 14 GLU H H 14 9.338 9.338 8.723 0.615 25516 428 1 10 . 1 1 15 15 ILE HA H 15 3.983 3.983 4.004 -0.021 25516 429 1 10 . 1 1 15 15 ILE H H 15 7.160 7.160 7.493 -0.333 25516 430 1 10 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.842 -0.115 25516 431 1 10 . 1 1 16 16 CYS H H 16 8.042 8.042 8.125 -0.083 25516 432 1 10 . 1 1 17 17 GLY CA C 17 46.446 46.446 45.887 0.559 25516 433 1 10 . 1 1 17 17 GLY H H 17 8.191 8.191 8.517 -0.326 25516 434 1 10 . 1 1 18 18 GLY H H 18 8.150 8.150 8.607 -0.457 25516 435 1 10 . 1 1 19 19 ALA HA H 19 4.080 4.080 4.529 -0.449 25516 436 1 10 . 1 1 19 19 ALA CB C 19 19.393 19.393 20.400 -1.007 25516 437 1 10 . 1 1 19 19 ALA H H 19 7.782 7.782 7.620 0.162 25516 438 1 10 . 1 1 20 20 ALA HA H 20 3.994 3.994 4.383 -0.389 25516 439 1 10 . 1 1 20 20 ALA H H 20 8.238 8.238 8.503 -0.265 25516 440 1 10 . 1 1 21 21 GLY H H 21 8.180 8.180 8.341 -0.161 25516 441 1 11 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.682 -0.525 25516 442 1 11 . 1 1 2 2 HIS H H 2 8.567 8.567 8.480 0.087 25516 443 1 11 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.999 -0.735 25516 444 1 11 . 1 1 3 3 CYS H H 3 7.901 7.901 8.727 -0.826 25516 445 1 11 . 1 1 4 4 SER HA H 4 3.996 3.996 4.391 -0.395 25516 446 1 11 . 1 1 4 4 SER CA C 4 59.701 59.701 59.878 -0.177 25516 447 1 11 . 1 1 4 4 SER CB C 4 62.904 62.904 63.890 -0.986 25516 448 1 11 . 1 1 4 4 SER H H 4 7.625 7.625 8.065 -0.440 25516 449 1 11 . 1 1 5 5 ASP HA H 5 4.786 4.786 4.998 -0.212 25516 450 1 11 . 1 1 5 5 ASP H H 5 7.500 7.500 7.757 -0.257 25516 451 1 11 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.304 -0.234 25516 452 1 11 . 1 1 6 6 PRO CA C 6 64.972 64.972 65.019 -0.047 25516 453 1 11 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.198 -0.284 25516 454 1 11 . 1 1 7 7 ARG H H 7 7.791 7.791 9.288 -1.497 25516 455 1 11 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.217 -0.203 25516 456 1 11 . 1 1 8 8 PHE CB C 8 39.153 39.153 38.946 0.207 25516 457 1 11 . 1 1 8 8 PHE H H 8 7.691 7.691 8.065 -0.374 25516 458 1 11 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.402 -0.249 25516 459 1 11 . 1 1 9 9 ASN H H 9 8.578 8.578 8.034 0.544 25516 460 1 11 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.306 -0.554 25516 461 1 11 . 1 1 10 10 TYR H H 10 7.664 7.664 7.764 -0.100 25516 462 1 11 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.110 -0.122 25516 463 1 11 . 1 1 11 11 ASP H H 11 7.710 7.710 8.505 -0.795 25516 464 1 11 . 1 1 12 12 HIS HA H 12 4.994 4.994 5.043 -0.049 25516 465 1 11 . 1 1 12 12 HIS CB C 12 27.882 27.882 30.293 -2.411 25516 466 1 11 . 1 1 12 12 HIS H H 12 7.287 7.287 7.973 -0.686 25516 467 1 11 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.447 -0.260 25516 468 1 11 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.104 -0.121 25516 469 1 11 . 1 1 14 14 GLU CA C 14 58.408 58.408 59.011 -0.603 25516 470 1 11 . 1 1 14 14 GLU CB C 14 27.347 27.347 27.730 -0.383 25516 471 1 11 . 1 1 14 14 GLU H H 14 9.338 9.338 8.854 0.484 25516 472 1 11 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.754 0.229 25516 473 1 11 . 1 1 15 15 ILE H H 15 7.160 7.160 7.324 -0.164 25516 474 1 11 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.349 0.378 25516 475 1 11 . 1 1 16 16 CYS H H 16 8.042 8.042 8.017 0.025 25516 476 1 11 . 1 1 17 17 GLY CA C 17 46.446 46.446 46.029 0.417 25516 477 1 11 . 1 1 17 17 GLY H H 17 8.191 8.191 8.568 -0.377 25516 478 1 11 . 1 1 18 18 GLY H H 18 8.150 8.150 7.940 0.210 25516 479 1 11 . 1 1 19 19 ALA HA H 19 4.080 4.080 4.418 -0.338 25516 480 1 11 . 1 1 19 19 ALA CB C 19 19.393 19.393 19.886 -0.493 25516 481 1 11 . 1 1 19 19 ALA H H 19 7.782 7.782 7.678 0.103 25516 482 1 11 . 1 1 20 20 ALA HA H 20 3.994 3.994 4.074 -0.080 25516 483 1 11 . 1 1 20 20 ALA H H 20 8.238 8.238 8.630 -0.392 25516 484 1 11 . 1 1 21 21 GLY H H 21 8.180 8.180 8.256 -0.076 25516 485 1 12 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.825 -0.668 25516 486 1 12 . 1 1 2 2 HIS H H 2 8.567 8.567 8.684 -0.117 25516 487 1 12 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.969 -0.705 25516 488 1 12 . 1 1 3 3 CYS H H 3 7.901 7.901 7.870 0.031 25516 489 1 12 . 1 1 4 4 SER HA H 4 3.996 3.996 4.424 -0.428 25516 490 1 12 . 1 1 4 4 SER CA C 4 59.701 59.701 60.409 -0.708 25516 491 1 12 . 1 1 4 4 SER CB C 4 62.904 62.904 63.540 -0.636 25516 492 1 12 . 1 1 4 4 SER H H 4 7.625 7.625 8.416 -0.791 25516 493 1 12 . 1 1 5 5 ASP HA H 5 4.786 4.786 5.029 -0.243 25516 494 1 12 . 1 1 5 5 ASP H H 5 7.500 7.500 7.818 -0.318 25516 495 1 12 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.204 -0.134 25516 496 1 12 . 1 1 6 6 PRO CA C 6 64.972 64.972 65.336 -0.364 25516 497 1 12 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.209 -0.295 25516 498 1 12 . 1 1 7 7 ARG H H 7 7.791 7.791 8.269 -0.478 25516 499 1 12 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.430 -0.416 25516 500 1 12 . 1 1 8 8 PHE CB C 8 39.153 39.153 38.727 0.425 25516 501 1 12 . 1 1 8 8 PHE H H 8 7.691 7.691 8.579 -0.888 25516 502 1 12 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.274 -0.121 25516 503 1 12 . 1 1 9 9 ASN H H 9 8.578 8.578 8.052 0.526 25516 504 1 12 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.305 -0.553 25516 505 1 12 . 1 1 10 10 TYR H H 10 7.664 7.664 7.658 0.006 25516 506 1 12 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.135 -0.147 25516 507 1 12 . 1 1 11 11 ASP H H 11 7.710 7.710 8.454 -0.744 25516 508 1 12 . 1 1 12 12 HIS HA H 12 4.994 4.994 5.106 -0.112 25516 509 1 12 . 1 1 12 12 HIS CB C 12 27.882 27.882 30.480 -2.598 25516 510 1 12 . 1 1 12 12 HIS H H 12 7.287 7.287 8.059 -0.772 25516 511 1 12 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.382 -0.195 25516 512 1 12 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.063 -0.080 25516 513 1 12 . 1 1 14 14 GLU CA C 14 58.408 58.408 58.980 -0.572 25516 514 1 12 . 1 1 14 14 GLU CB C 14 27.347 27.347 27.467 -0.120 25516 515 1 12 . 1 1 14 14 GLU H H 14 9.338 9.338 8.744 0.594 25516 516 1 12 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.757 0.226 25516 517 1 12 . 1 1 15 15 ILE H H 15 7.160 7.160 7.937 -0.777 25516 518 1 12 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.301 0.426 25516 519 1 12 . 1 1 16 16 CYS H H 16 8.042 8.042 7.855 0.187 25516 520 1 12 . 1 1 17 17 GLY CA C 17 46.446 46.446 46.552 -0.106 25516 521 1 12 . 1 1 17 17 GLY H H 17 8.191 8.191 8.559 -0.368 25516 522 1 12 . 1 1 18 18 GLY H H 18 8.150 8.150 8.067 0.083 25516 523 1 12 . 1 1 19 19 ALA HA H 19 4.080 4.080 4.201 -0.121 25516 524 1 12 . 1 1 19 19 ALA CB C 19 19.393 19.393 19.132 0.261 25516 525 1 12 . 1 1 19 19 ALA H H 19 7.782 7.782 7.898 -0.116 25516 526 1 12 . 1 1 20 20 ALA HA H 20 3.994 3.994 4.058 -0.064 25516 527 1 12 . 1 1 20 20 ALA H H 20 8.238 8.238 7.978 0.260 25516 528 1 12 . 1 1 21 21 GLY H H 21 8.180 8.180 8.292 -0.112 25516 529 1 13 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.654 -0.497 25516 530 1 13 . 1 1 2 2 HIS H H 2 8.567 8.567 8.357 0.210 25516 531 1 13 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.661 -0.397 25516 532 1 13 . 1 1 3 3 CYS H H 3 7.901 7.901 7.857 0.044 25516 533 1 13 . 1 1 4 4 SER HA H 4 3.996 3.996 4.315 -0.319 25516 534 1 13 . 1 1 4 4 SER CA C 4 59.701 59.701 59.608 0.094 25516 535 1 13 . 1 1 4 4 SER CB C 4 62.904 62.904 63.310 -0.406 25516 536 1 13 . 1 1 4 4 SER H H 4 7.625 7.625 8.200 -0.575 25516 537 1 13 . 1 1 5 5 ASP HA H 5 4.786 4.786 4.949 -0.163 25516 538 1 13 . 1 1 5 5 ASP H H 5 7.500 7.500 7.545 -0.045 25516 539 1 13 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.269 -0.199 25516 540 1 13 . 1 1 6 6 PRO CA C 6 64.972 64.972 64.895 0.077 25516 541 1 13 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.136 -0.222 25516 542 1 13 . 1 1 7 7 ARG H H 7 7.791 7.791 8.401 -0.610 25516 543 1 13 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.191 -0.177 25516 544 1 13 . 1 1 8 8 PHE CB C 8 39.153 39.153 38.881 0.272 25516 545 1 13 . 1 1 8 8 PHE H H 8 7.691 7.691 7.895 -0.204 25516 546 1 13 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.279 -0.126 25516 547 1 13 . 1 1 9 9 ASN H H 9 8.578 8.578 7.981 0.597 25516 548 1 13 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.291 -0.539 25516 549 1 13 . 1 1 10 10 TYR H H 10 7.664 7.664 7.697 -0.033 25516 550 1 13 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.122 -0.134 25516 551 1 13 . 1 1 11 11 ASP H H 11 7.710 7.710 8.559 -0.849 25516 552 1 13 . 1 1 12 12 HIS HA H 12 4.994 4.994 5.025 -0.031 25516 553 1 13 . 1 1 12 12 HIS CB C 12 27.882 27.882 30.512 -2.630 25516 554 1 13 . 1 1 12 12 HIS H H 12 7.287 7.287 7.968 -0.681 25516 555 1 13 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.388 -0.201 25516 556 1 13 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.093 -0.110 25516 557 1 13 . 1 1 14 14 GLU CA C 14 58.408 58.408 58.423 -0.015 25516 558 1 13 . 1 1 14 14 GLU CB C 14 27.347 27.347 27.663 -0.316 25516 559 1 13 . 1 1 14 14 GLU H H 14 9.338 9.338 8.681 0.657 25516 560 1 13 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.766 0.217 25516 561 1 13 . 1 1 15 15 ILE H H 15 7.160 7.160 7.308 -0.148 25516 562 1 13 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.445 0.282 25516 563 1 13 . 1 1 16 16 CYS H H 16 8.042 8.042 7.625 0.417 25516 564 1 13 . 1 1 17 17 GLY CA C 17 46.446 46.446 46.604 -0.158 25516 565 1 13 . 1 1 17 17 GLY H H 17 8.191 8.191 8.538 -0.347 25516 566 1 13 . 1 1 18 18 GLY H H 18 8.150 8.150 8.301 -0.151 25516 567 1 13 . 1 1 19 19 ALA HA H 19 4.080 4.080 4.599 -0.519 25516 568 1 13 . 1 1 19 19 ALA CB C 19 19.393 19.393 20.332 -0.939 25516 569 1 13 . 1 1 19 19 ALA H H 19 7.782 7.782 7.875 -0.093 25516 570 1 13 . 1 1 20 20 ALA HA H 20 3.994 3.994 4.173 -0.179 25516 571 1 13 . 1 1 20 20 ALA H H 20 8.238 8.238 8.418 -0.180 25516 572 1 13 . 1 1 21 21 GLY H H 21 8.180 8.180 8.704 -0.524 25516 573 1 14 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.569 -0.412 25516 574 1 14 . 1 1 2 2 HIS H H 2 8.567 8.567 8.232 0.335 25516 575 1 14 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.596 -0.332 25516 576 1 14 . 1 1 3 3 CYS H H 3 7.901 7.901 8.089 -0.188 25516 577 1 14 . 1 1 4 4 SER HA H 4 3.996 3.996 4.308 -0.312 25516 578 1 14 . 1 1 4 4 SER CA C 4 59.701 59.701 59.688 0.013 25516 579 1 14 . 1 1 4 4 SER CB C 4 62.904 62.904 63.296 -0.392 25516 580 1 14 . 1 1 4 4 SER H H 4 7.625 7.625 8.180 -0.555 25516 581 1 14 . 1 1 5 5 ASP HA H 5 4.786 4.786 4.951 -0.165 25516 582 1 14 . 1 1 5 5 ASP H H 5 7.500 7.500 7.531 -0.031 25516 583 1 14 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.249 -0.179 25516 584 1 14 . 1 1 6 6 PRO CA C 6 64.972 64.972 64.956 0.016 25516 585 1 14 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.117 -0.203 25516 586 1 14 . 1 1 7 7 ARG H H 7 7.791 7.791 8.474 -0.683 25516 587 1 14 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.255 -0.241 25516 588 1 14 . 1 1 8 8 PHE CB C 8 39.153 39.153 38.790 0.363 25516 589 1 14 . 1 1 8 8 PHE H H 8 7.691 7.691 7.871 -0.180 25516 590 1 14 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.314 -0.161 25516 591 1 14 . 1 1 9 9 ASN H H 9 8.578 8.578 7.980 0.598 25516 592 1 14 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.262 -0.510 25516 593 1 14 . 1 1 10 10 TYR H H 10 7.664 7.664 7.610 0.054 25516 594 1 14 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.111 -0.123 25516 595 1 14 . 1 1 11 11 ASP H H 11 7.710 7.710 8.492 -0.782 25516 596 1 14 . 1 1 12 12 HIS HA H 12 4.994 4.994 5.076 -0.082 25516 597 1 14 . 1 1 12 12 HIS CB C 12 27.882 27.882 30.633 -2.751 25516 598 1 14 . 1 1 12 12 HIS H H 12 7.287 7.287 7.950 -0.663 25516 599 1 14 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.511 -0.324 25516 600 1 14 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.088 -0.105 25516 601 1 14 . 1 1 14 14 GLU CA C 14 58.408 58.408 59.075 -0.667 25516 602 1 14 . 1 1 14 14 GLU CB C 14 27.347 27.347 27.965 -0.618 25516 603 1 14 . 1 1 14 14 GLU H H 14 9.338 9.338 8.555 0.783 25516 604 1 14 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.669 0.314 25516 605 1 14 . 1 1 15 15 ILE H H 15 7.160 7.160 7.888 -0.728 25516 606 1 14 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.403 0.324 25516 607 1 14 . 1 1 16 16 CYS H H 16 8.042 8.042 7.703 0.339 25516 608 1 14 . 1 1 17 17 GLY CA C 17 46.446 46.446 46.517 -0.071 25516 609 1 14 . 1 1 17 17 GLY H H 17 8.191 8.191 8.052 0.139 25516 610 1 14 . 1 1 18 18 GLY H H 18 8.150 8.150 8.039 0.111 25516 611 1 14 . 1 1 19 19 ALA HA H 19 4.080 4.080 3.872 0.208 25516 612 1 14 . 1 1 19 19 ALA CB C 19 19.393 19.393 17.357 2.036 25516 613 1 14 . 1 1 19 19 ALA H H 19 7.782 7.782 7.583 0.199 25516 614 1 14 . 1 1 20 20 ALA HA H 20 3.994 3.994 4.300 -0.306 25516 615 1 14 . 1 1 20 20 ALA H H 20 8.238 8.238 7.842 0.396 25516 616 1 14 . 1 1 21 21 GLY H H 21 8.180 8.180 8.699 -0.519 25516 617 1 15 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.813 -0.656 25516 618 1 15 . 1 1 2 2 HIS H H 2 8.567 8.567 8.868 -0.301 25516 619 1 15 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.927 -0.663 25516 620 1 15 . 1 1 3 3 CYS H H 3 7.901 7.901 8.803 -0.902 25516 621 1 15 . 1 1 4 4 SER HA H 4 3.996 3.996 4.484 -0.488 25516 622 1 15 . 1 1 4 4 SER CA C 4 59.701 59.701 60.415 -0.714 25516 623 1 15 . 1 1 4 4 SER CB C 4 62.904 62.904 63.934 -1.030 25516 624 1 15 . 1 1 4 4 SER H H 4 7.625 7.625 8.456 -0.831 25516 625 1 15 . 1 1 5 5 ASP HA H 5 4.786 4.786 4.985 -0.199 25516 626 1 15 . 1 1 5 5 ASP H H 5 7.500 7.500 7.578 -0.078 25516 627 1 15 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.261 -0.191 25516 628 1 15 . 1 1 6 6 PRO CA C 6 64.972 64.972 64.825 0.147 25516 629 1 15 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.185 -0.271 25516 630 1 15 . 1 1 7 7 ARG H H 7 7.791 7.791 8.678 -0.887 25516 631 1 15 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.781 -0.767 25516 632 1 15 . 1 1 8 8 PHE CB C 8 39.153 39.153 38.809 0.344 25516 633 1 15 . 1 1 8 8 PHE H H 8 7.691 7.691 8.012 -0.321 25516 634 1 15 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.306 -0.153 25516 635 1 15 . 1 1 9 9 ASN H H 9 8.578 8.578 7.964 0.614 25516 636 1 15 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.301 -0.549 25516 637 1 15 . 1 1 10 10 TYR H H 10 7.664 7.664 7.910 -0.246 25516 638 1 15 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.169 -0.181 25516 639 1 15 . 1 1 11 11 ASP H H 11 7.710 7.710 8.465 -0.755 25516 640 1 15 . 1 1 12 12 HIS HA H 12 4.994 4.994 5.208 -0.214 25516 641 1 15 . 1 1 12 12 HIS CB C 12 27.882 27.882 30.223 -2.341 25516 642 1 15 . 1 1 12 12 HIS H H 12 7.287 7.287 7.906 -0.619 25516 643 1 15 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.364 -0.177 25516 644 1 15 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.082 -0.099 25516 645 1 15 . 1 1 14 14 GLU CA C 14 58.408 58.408 59.012 -0.604 25516 646 1 15 . 1 1 14 14 GLU CB C 14 27.347 27.347 27.685 -0.338 25516 647 1 15 . 1 1 14 14 GLU H H 14 9.338 9.338 8.846 0.492 25516 648 1 15 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.742 0.241 25516 649 1 15 . 1 1 15 15 ILE H H 15 7.160 7.160 7.346 -0.186 25516 650 1 15 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.278 0.449 25516 651 1 15 . 1 1 16 16 CYS H H 16 8.042 8.042 7.548 0.494 25516 652 1 15 . 1 1 17 17 GLY CA C 17 46.446 46.446 46.030 0.416 25516 653 1 15 . 1 1 17 17 GLY H H 17 8.191 8.191 8.286 -0.095 25516 654 1 15 . 1 1 18 18 GLY H H 18 8.150 8.150 7.919 0.231 25516 655 1 15 . 1 1 19 19 ALA HA H 19 4.080 4.080 3.939 0.141 25516 656 1 15 . 1 1 19 19 ALA CB C 19 19.393 19.393 16.956 2.437 25516 657 1 15 . 1 1 19 19 ALA H H 19 7.782 7.782 8.098 -0.316 25516 658 1 15 . 1 1 20 20 ALA HA H 20 3.994 3.994 4.137 -0.143 25516 659 1 15 . 1 1 20 20 ALA H H 20 8.238 8.238 8.463 -0.225 25516 660 1 15 . 1 1 21 21 GLY H H 21 8.180 8.180 8.167 0.013 25516 661 1 16 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.775 -0.618 25516 662 1 16 . 1 1 2 2 HIS H H 2 8.567 8.567 8.580 -0.013 25516 663 1 16 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.755 -0.491 25516 664 1 16 . 1 1 3 3 CYS H H 3 7.901 7.901 8.696 -0.795 25516 665 1 16 . 1 1 4 4 SER HA H 4 3.996 3.996 4.260 -0.264 25516 666 1 16 . 1 1 4 4 SER CA C 4 59.701 59.701 59.567 0.134 25516 667 1 16 . 1 1 4 4 SER CB C 4 62.904 62.904 62.966 -0.062 25516 668 1 16 . 1 1 4 4 SER H H 4 7.625 7.625 7.891 -0.266 25516 669 1 16 . 1 1 5 5 ASP HA H 5 4.786 4.786 5.033 -0.247 25516 670 1 16 . 1 1 5 5 ASP H H 5 7.500 7.500 7.762 -0.262 25516 671 1 16 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.246 -0.176 25516 672 1 16 . 1 1 6 6 PRO CA C 6 64.972 64.972 65.072 -0.100 25516 673 1 16 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.226 -0.312 25516 674 1 16 . 1 1 7 7 ARG H H 7 7.791 7.791 8.247 -0.456 25516 675 1 16 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.230 -0.216 25516 676 1 16 . 1 1 8 8 PHE CB C 8 39.153 39.153 39.054 0.099 25516 677 1 16 . 1 1 8 8 PHE H H 8 7.691 7.691 8.993 -1.302 25516 678 1 16 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.250 -0.097 25516 679 1 16 . 1 1 9 9 ASN H H 9 8.578 8.578 8.167 0.411 25516 680 1 16 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.284 -0.532 25516 681 1 16 . 1 1 10 10 TYR H H 10 7.664 7.664 7.581 0.083 25516 682 1 16 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.085 -0.097 25516 683 1 16 . 1 1 11 11 ASP H H 11 7.710 7.710 8.171 -0.461 25516 684 1 16 . 1 1 12 12 HIS HA H 12 4.994 4.994 4.868 0.126 25516 685 1 16 . 1 1 12 12 HIS CB C 12 27.882 27.882 30.329 -2.447 25516 686 1 16 . 1 1 12 12 HIS H H 12 7.287 7.287 8.160 -0.873 25516 687 1 16 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.381 -0.194 25516 688 1 16 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.065 -0.082 25516 689 1 16 . 1 1 14 14 GLU CA C 14 58.408 58.408 58.852 -0.444 25516 690 1 16 . 1 1 14 14 GLU CB C 14 27.347 27.347 28.584 -1.237 25516 691 1 16 . 1 1 14 14 GLU H H 14 9.338 9.338 8.529 0.809 25516 692 1 16 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.967 0.016 25516 693 1 16 . 1 1 15 15 ILE H H 15 7.160 7.160 7.409 -0.249 25516 694 1 16 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.678 0.049 25516 695 1 16 . 1 1 16 16 CYS H H 16 8.042 8.042 7.963 0.079 25516 696 1 16 . 1 1 17 17 GLY CA C 17 46.446 46.446 45.635 0.811 25516 697 1 16 . 1 1 17 17 GLY H H 17 8.191 8.191 7.934 0.257 25516 698 1 16 . 1 1 18 18 GLY H H 18 8.150 8.150 7.946 0.204 25516 699 1 16 . 1 1 19 19 ALA HA H 19 4.080 4.080 4.558 -0.478 25516 700 1 16 . 1 1 19 19 ALA CB C 19 19.393 19.393 19.399 -0.006 25516 701 1 16 . 1 1 19 19 ALA H H 19 7.782 7.782 7.744 0.038 25516 702 1 16 . 1 1 20 20 ALA HA H 20 3.994 3.994 3.902 0.092 25516 703 1 16 . 1 1 20 20 ALA H H 20 8.238 8.238 8.588 -0.350 25516 704 1 16 . 1 1 21 21 GLY H H 21 8.180 8.180 8.493 -0.313 25516 705 1 17 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.512 -0.355 25516 706 1 17 . 1 1 2 2 HIS H H 2 8.567 8.567 8.335 0.232 25516 707 1 17 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.704 -0.440 25516 708 1 17 . 1 1 3 3 CYS H H 3 7.901 7.901 8.351 -0.450 25516 709 1 17 . 1 1 4 4 SER HA H 4 3.996 3.996 4.398 -0.402 25516 710 1 17 . 1 1 4 4 SER CA C 4 59.701 59.701 59.704 -0.003 25516 711 1 17 . 1 1 4 4 SER CB C 4 62.904 62.904 63.392 -0.488 25516 712 1 17 . 1 1 4 4 SER H H 4 7.625 7.625 7.903 -0.278 25516 713 1 17 . 1 1 5 5 ASP HA H 5 4.786 4.786 4.962 -0.176 25516 714 1 17 . 1 1 5 5 ASP H H 5 7.500 7.500 7.553 -0.053 25516 715 1 17 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.283 -0.213 25516 716 1 17 . 1 1 6 6 PRO CA C 6 64.972 64.972 64.836 0.136 25516 717 1 17 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.174 -0.260 25516 718 1 17 . 1 1 7 7 ARG H H 7 7.791 7.791 8.366 -0.575 25516 719 1 17 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.731 -0.717 25516 720 1 17 . 1 1 8 8 PHE CB C 8 39.153 39.153 38.788 0.366 25516 721 1 17 . 1 1 8 8 PHE H H 8 7.691 7.691 7.805 -0.114 25516 722 1 17 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.348 -0.195 25516 723 1 17 . 1 1 9 9 ASN H H 9 8.578 8.578 7.985 0.593 25516 724 1 17 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.439 -0.687 25516 725 1 17 . 1 1 10 10 TYR H H 10 7.664 7.664 7.810 -0.146 25516 726 1 17 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.108 -0.120 25516 727 1 17 . 1 1 11 11 ASP H H 11 7.710 7.710 8.400 -0.690 25516 728 1 17 . 1 1 12 12 HIS HA H 12 4.994 4.994 4.914 0.080 25516 729 1 17 . 1 1 12 12 HIS CB C 12 27.882 27.882 30.053 -2.171 25516 730 1 17 . 1 1 12 12 HIS H H 12 7.287 7.287 7.878 -0.592 25516 731 1 17 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.179 0.008 25516 732 1 17 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.019 -0.036 25516 733 1 17 . 1 1 14 14 GLU CA C 14 58.408 58.408 59.174 -0.766 25516 734 1 17 . 1 1 14 14 GLU CB C 14 27.347 27.347 28.229 -0.882 25516 735 1 17 . 1 1 14 14 GLU H H 14 9.338 9.338 8.657 0.681 25516 736 1 17 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.732 0.251 25516 737 1 17 . 1 1 15 15 ILE H H 15 7.160 7.160 7.341 -0.181 25516 738 1 17 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.334 0.393 25516 739 1 17 . 1 1 16 16 CYS H H 16 8.042 8.042 7.823 0.219 25516 740 1 17 . 1 1 17 17 GLY CA C 17 46.446 46.446 46.473 -0.027 25516 741 1 17 . 1 1 17 17 GLY H H 17 8.191 8.191 8.307 -0.116 25516 742 1 17 . 1 1 18 18 GLY H H 18 8.150 8.150 7.857 0.293 25516 743 1 17 . 1 1 19 19 ALA HA H 19 4.080 4.080 4.498 -0.418 25516 744 1 17 . 1 1 19 19 ALA CB C 19 19.393 19.393 20.176 -0.783 25516 745 1 17 . 1 1 19 19 ALA H H 19 7.782 7.782 8.039 -0.257 25516 746 1 17 . 1 1 20 20 ALA HA H 20 3.994 3.994 4.457 -0.463 25516 747 1 17 . 1 1 20 20 ALA H H 20 8.238 8.238 8.563 -0.325 25516 748 1 17 . 1 1 21 21 GLY H H 21 8.180 8.180 8.805 -0.625 25516 749 1 18 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.777 -0.620 25516 750 1 18 . 1 1 2 2 HIS H H 2 8.567 8.567 8.313 0.254 25516 751 1 18 . 1 1 3 3 CYS HA H 3 4.264 4.264 5.023 -0.759 25516 752 1 18 . 1 1 3 3 CYS H H 3 7.901 7.901 8.553 -0.652 25516 753 1 18 . 1 1 4 4 SER HA H 4 3.996 3.996 4.439 -0.443 25516 754 1 18 . 1 1 4 4 SER CA C 4 59.701 59.701 60.064 -0.363 25516 755 1 18 . 1 1 4 4 SER CB C 4 62.904 62.904 63.848 -0.944 25516 756 1 18 . 1 1 4 4 SER H H 4 7.625 7.625 8.020 -0.395 25516 757 1 18 . 1 1 5 5 ASP HA H 5 4.786 4.786 4.967 -0.181 25516 758 1 18 . 1 1 5 5 ASP H H 5 7.500 7.500 7.852 -0.352 25516 759 1 18 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.287 -0.217 25516 760 1 18 . 1 1 6 6 PRO CA C 6 64.972 64.972 64.915 0.057 25516 761 1 18 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.179 -0.265 25516 762 1 18 . 1 1 7 7 ARG H H 7 7.791 7.791 8.871 -1.080 25516 763 1 18 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.311 -0.297 25516 764 1 18 . 1 1 8 8 PHE CB C 8 39.153 39.153 38.788 0.365 25516 765 1 18 . 1 1 8 8 PHE H H 8 7.691 7.691 7.750 -0.059 25516 766 1 18 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.223 -0.070 25516 767 1 18 . 1 1 9 9 ASN H H 9 8.578 8.578 7.916 0.662 25516 768 1 18 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.254 -0.502 25516 769 1 18 . 1 1 10 10 TYR H H 10 7.664 7.664 7.654 0.010 25516 770 1 18 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.134 -0.146 25516 771 1 18 . 1 1 11 11 ASP H H 11 7.710 7.710 8.265 -0.555 25516 772 1 18 . 1 1 12 12 HIS HA H 12 4.994 4.994 4.871 0.123 25516 773 1 18 . 1 1 12 12 HIS CB C 12 27.882 27.882 29.457 -1.575 25516 774 1 18 . 1 1 12 12 HIS H H 12 7.287 7.287 8.171 -0.884 25516 775 1 18 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.538 -0.351 25516 776 1 18 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.065 -0.082 25516 777 1 18 . 1 1 14 14 GLU CA C 14 58.408 58.408 59.370 -0.962 25516 778 1 18 . 1 1 14 14 GLU CB C 14 27.347 27.347 27.972 -0.625 25516 779 1 18 . 1 1 14 14 GLU H H 14 9.338 9.338 8.491 0.847 25516 780 1 18 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.785 0.198 25516 781 1 18 . 1 1 15 15 ILE H H 15 7.160 7.160 7.726 -0.566 25516 782 1 18 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.348 0.379 25516 783 1 18 . 1 1 16 16 CYS H H 16 8.042 8.042 7.949 0.093 25516 784 1 18 . 1 1 17 17 GLY CA C 17 46.446 46.446 45.430 1.016 25516 785 1 18 . 1 1 17 17 GLY H H 17 8.191 8.191 8.119 0.072 25516 786 1 18 . 1 1 18 18 GLY H H 18 8.150 8.150 7.732 0.418 25516 787 1 18 . 1 1 19 19 ALA HA H 19 4.080 4.080 4.551 -0.471 25516 788 1 18 . 1 1 19 19 ALA CB C 19 19.393 19.393 17.444 1.949 25516 789 1 18 . 1 1 19 19 ALA H H 19 7.782 7.782 8.218 -0.436 25516 790 1 18 . 1 1 20 20 ALA HA H 20 3.994 3.994 4.310 -0.316 25516 791 1 18 . 1 1 20 20 ALA H H 20 8.238 8.238 7.605 0.633 25516 792 1 18 . 1 1 21 21 GLY H H 21 8.180 8.180 8.760 -0.580 25516 793 1 19 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.439 -0.282 25516 794 1 19 . 1 1 2 2 HIS H H 2 8.567 8.567 8.567 0.000 25516 795 1 19 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.706 -0.442 25516 796 1 19 . 1 1 3 3 CYS H H 3 7.901 7.901 8.721 -0.820 25516 797 1 19 . 1 1 4 4 SER HA H 4 3.996 3.996 4.640 -0.644 25516 798 1 19 . 1 1 4 4 SER CA C 4 59.701 59.701 58.853 0.848 25516 799 1 19 . 1 1 4 4 SER CB C 4 62.904 62.904 64.992 -2.088 25516 800 1 19 . 1 1 4 4 SER H H 4 7.625 7.625 8.450 -0.825 25516 801 1 19 . 1 1 5 5 ASP HA H 5 4.786 4.786 4.876 -0.090 25516 802 1 19 . 1 1 5 5 ASP H H 5 7.500 7.500 7.176 0.324 25516 803 1 19 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.209 -0.139 25516 804 1 19 . 1 1 6 6 PRO CA C 6 64.972 64.972 65.744 -0.772 25516 805 1 19 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.523 -0.609 25516 806 1 19 . 1 1 7 7 ARG H H 7 7.791 7.791 8.489 -0.698 25516 807 1 19 . 1 1 8 8 PHE HA H 8 4.014 4.014 3.999 0.015 25516 808 1 19 . 1 1 8 8 PHE CB C 8 39.153 39.153 38.834 0.319 25516 809 1 19 . 1 1 8 8 PHE H H 8 7.691 7.691 8.412 -0.721 25516 810 1 19 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.516 -0.363 25516 811 1 19 . 1 1 9 9 ASN H H 9 8.578 8.578 8.065 0.513 25516 812 1 19 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.329 -0.577 25516 813 1 19 . 1 1 10 10 TYR H H 10 7.664 7.664 8.348 -0.684 25516 814 1 19 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.236 -0.248 25516 815 1 19 . 1 1 11 11 ASP H H 11 7.710 7.710 8.124 -0.414 25516 816 1 19 . 1 1 12 12 HIS HA H 12 4.994 4.994 4.983 0.011 25516 817 1 19 . 1 1 12 12 HIS CB C 12 27.882 27.882 28.878 -0.996 25516 818 1 19 . 1 1 12 12 HIS H H 12 7.287 7.287 7.358 -0.071 25516 819 1 19 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.344 -0.157 25516 820 1 19 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.071 -0.088 25516 821 1 19 . 1 1 14 14 GLU CA C 14 58.408 58.408 59.013 -0.605 25516 822 1 19 . 1 1 14 14 GLU CB C 14 27.347 27.347 28.021 -0.674 25516 823 1 19 . 1 1 14 14 GLU H H 14 9.338 9.338 8.690 0.648 25516 824 1 19 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.681 0.302 25516 825 1 19 . 1 1 15 15 ILE H H 15 7.160 7.160 7.587 -0.427 25516 826 1 19 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.474 0.253 25516 827 1 19 . 1 1 16 16 CYS H H 16 8.042 8.042 7.886 0.156 25516 828 1 19 . 1 1 17 17 GLY CA C 17 46.446 46.446 45.364 1.082 25516 829 1 19 . 1 1 17 17 GLY H H 17 8.191 8.191 8.204 -0.013 25516 830 1 19 . 1 1 18 18 GLY H H 18 8.150 8.150 7.736 0.414 25516 831 1 19 . 1 1 19 19 ALA HA H 19 4.080 4.080 4.444 -0.364 25516 832 1 19 . 1 1 19 19 ALA CB C 19 19.393 19.393 20.015 -0.622 25516 833 1 19 . 1 1 19 19 ALA H H 19 7.782 7.782 8.203 -0.421 25516 834 1 19 . 1 1 20 20 ALA HA H 20 3.994 3.994 3.906 0.088 25516 835 1 19 . 1 1 20 20 ALA H H 20 8.238 8.238 7.732 0.506 25516 836 1 19 . 1 1 21 21 GLY H H 21 8.180 8.180 8.329 -0.149 25516 837 1 20 . 1 1 2 2 HIS HA H 2 4.157 4.157 4.571 -0.414 25516 838 1 20 . 1 1 2 2 HIS H H 2 8.567 8.567 8.768 -0.201 25516 839 1 20 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.832 -0.568 25516 840 1 20 . 1 1 3 3 CYS H H 3 7.901 7.901 8.059 -0.158 25516 841 1 20 . 1 1 4 4 SER HA H 4 3.996 3.996 4.330 -0.334 25516 842 1 20 . 1 1 4 4 SER CA C 4 59.701 59.701 60.088 -0.387 25516 843 1 20 . 1 1 4 4 SER CB C 4 62.904 62.904 63.360 -0.456 25516 844 1 20 . 1 1 4 4 SER H H 4 7.625 7.625 8.158 -0.533 25516 845 1 20 . 1 1 5 5 ASP HA H 5 4.786 4.786 4.938 -0.152 25516 846 1 20 . 1 1 5 5 ASP H H 5 7.500 7.500 7.568 -0.068 25516 847 1 20 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.169 -0.099 25516 848 1 20 . 1 1 6 6 PRO CA C 6 64.972 64.972 65.080 -0.108 25516 849 1 20 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.141 -0.227 25516 850 1 20 . 1 1 7 7 ARG H H 7 7.791 7.791 8.321 -0.530 25516 851 1 20 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.292 -0.278 25516 852 1 20 . 1 1 8 8 PHE CB C 8 39.153 39.153 38.897 0.256 25516 853 1 20 . 1 1 8 8 PHE H H 8 7.691 7.691 7.748 -0.057 25516 854 1 20 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.335 -0.182 25516 855 1 20 . 1 1 9 9 ASN H H 9 8.578 8.578 8.129 0.449 25516 856 1 20 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.340 -0.588 25516 857 1 20 . 1 1 10 10 TYR H H 10 7.664 7.664 7.419 0.245 25516 858 1 20 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.070 -0.082 25516 859 1 20 . 1 1 11 11 ASP H H 11 7.710 7.710 8.228 -0.518 25516 860 1 20 . 1 1 12 12 HIS HA H 12 4.994 4.994 4.934 0.060 25516 861 1 20 . 1 1 12 12 HIS CB C 12 27.882 27.882 30.167 -2.285 25516 862 1 20 . 1 1 12 12 HIS H H 12 7.287 7.287 8.118 -0.831 25516 863 1 20 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.210 -0.023 25516 864 1 20 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.066 -0.083 25516 865 1 20 . 1 1 14 14 GLU CA C 14 58.408 58.408 58.902 -0.494 25516 866 1 20 . 1 1 14 14 GLU CB C 14 27.347 27.347 27.566 -0.219 25516 867 1 20 . 1 1 14 14 GLU H H 14 9.338 9.338 8.769 0.569 25516 868 1 20 . 1 1 15 15 ILE HA H 15 3.983 3.983 4.026 -0.043 25516 869 1 20 . 1 1 15 15 ILE H H 15 7.160 7.160 7.719 -0.559 25516 870 1 20 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.437 0.290 25516 871 1 20 . 1 1 16 16 CYS H H 16 8.042 8.042 7.696 0.346 25516 872 1 20 . 1 1 17 17 GLY CA C 17 46.446 46.446 45.478 0.968 25516 873 1 20 . 1 1 17 17 GLY H H 17 8.191 8.191 8.176 0.015 25516 874 1 20 . 1 1 18 18 GLY H H 18 8.150 8.150 8.248 -0.098 25516 875 1 20 . 1 1 19 19 ALA HA H 19 4.080 4.080 4.249 -0.169 25516 876 1 20 . 1 1 19 19 ALA CB C 19 19.393 19.393 18.952 0.441 25516 877 1 20 . 1 1 19 19 ALA H H 19 7.782 7.782 8.117 -0.335 25516 878 1 20 . 1 1 20 20 ALA HA H 20 3.994 3.994 4.416 -0.422 25516 879 1 20 . 1 1 20 20 ALA H H 20 8.238 8.238 7.830 0.408 25516 880 1 20 . 1 1 21 21 GLY H H 21 8.180 8.180 8.553 -0.373 25516 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 0 0.000 0.000 0.000 25516 2 1 1 "Average Difference" HA 23 0.295 0.175 0.242 25516 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25516 4 1 1 "Average Difference" CA 4 0.422 -0.105 0.472 25516 5 1 1 "Average Difference" CB 5 0.812 0.584 0.631 25516 6 1 1 "Average Difference" HN 18 0.509 0.146 0.502 25516 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25516 8 1 2 "Average Difference" HA 23 0.330 0.209 0.261 25516 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25516 10 1 2 "Average Difference" CA 4 0.123 0.007 0.141 25516 11 1 2 "Average Difference" CB 5 1.559 0.791 1.503 25516 12 1 2 "Average Difference" HN 18 0.614 0.191 0.601 25516 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25516 14 1 3 "Average Difference" HA 23 0.383 0.202 0.334 25516 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25516 16 1 3 "Average Difference" CA 4 0.638 0.220 0.691 25516 17 1 3 "Average Difference" CB 5 1.132 0.261 1.232 25516 18 1 3 "Average Difference" HN 18 0.453 0.133 0.446 25516 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25516 20 1 4 "Average Difference" HA 23 0.294 0.146 0.261 25516 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25516 22 1 4 "Average Difference" CA 4 0.358 0.299 0.227 25516 23 1 4 "Average Difference" CB 5 0.673 0.426 0.583 25516 24 1 4 "Average Difference" HN 18 0.467 0.146 0.457 25516 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25516 26 1 5 "Average Difference" HA 23 0.318 0.188 0.263 25516 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25516 28 1 5 "Average Difference" CA 4 0.395 -0.018 0.456 25516 29 1 5 "Average Difference" CB 5 1.182 0.105 1.317 25516 30 1 5 "Average Difference" HN 18 0.634 0.108 0.643 25516 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25516 32 1 6 "Average Difference" HA 23 0.313 0.123 0.294 25516 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25516 34 1 6 "Average Difference" CA 4 0.634 0.587 0.275 25516 35 1 6 "Average Difference" CB 5 0.775 0.337 0.780 25516 36 1 6 "Average Difference" HN 18 0.575 0.141 0.573 25516 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25516 38 1 7 "Average Difference" HA 23 0.362 0.247 0.270 25516 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25516 40 1 7 "Average Difference" CA 4 0.503 0.264 0.494 25516 41 1 7 "Average Difference" CB 5 1.306 0.146 1.451 25516 42 1 7 "Average Difference" HN 18 0.379 0.040 0.388 25516 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25516 44 1 8 "Average Difference" HA 23 0.309 0.168 0.265 25516 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25516 46 1 8 "Average Difference" CA 4 0.546 -0.069 0.626 25516 47 1 8 "Average Difference" CB 5 1.231 0.798 1.048 25516 48 1 8 "Average Difference" HN 18 0.417 0.136 0.406 25516 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25516 50 1 9 "Average Difference" HA 23 0.290 0.181 0.232 25516 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25516 52 1 9 "Average Difference" CA 4 0.547 0.235 0.570 25516 53 1 9 "Average Difference" CB 5 1.082 0.713 0.910 25516 54 1 9 "Average Difference" HN 18 0.455 0.079 0.461 25516 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25516 56 1 10 "Average Difference" HA 23 0.326 0.249 0.214 25516 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25516 58 1 10 "Average Difference" CA 4 0.545 0.213 0.579 25516 59 1 10 "Average Difference" CB 5 0.818 0.639 0.571 25516 60 1 10 "Average Difference" HN 18 0.540 0.207 0.513 25516 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25516 62 1 11 "Average Difference" HA 23 0.322 0.212 0.248 25516 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25516 64 1 11 "Average Difference" CA 4 0.378 0.102 0.420 25516 65 1 11 "Average Difference" CB 5 1.202 0.813 0.989 25516 66 1 11 "Average Difference" HN 18 0.546 0.252 0.498 25516 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25516 68 1 12 "Average Difference" HA 23 0.324 0.157 0.290 25516 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25516 70 1 12 "Average Difference" CA 4 0.493 0.438 0.262 25516 71 1 12 "Average Difference" CB 5 1.218 0.533 1.224 25516 72 1 12 "Average Difference" HN 18 0.495 0.211 0.461 25516 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25516 74 1 13 "Average Difference" HA 23 0.281 0.156 0.239 25516 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25516 76 1 13 "Average Difference" CA 4 0.100 0.001 0.115 25516 77 1 13 "Average Difference" CB 5 1.276 0.804 1.108 25516 78 1 13 "Average Difference" HN 18 0.436 0.140 0.425 25516 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25516 80 1 14 "Average Difference" HA 23 0.246 0.112 0.224 25516 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25516 82 1 14 "Average Difference" CA 4 0.336 0.178 0.329 25516 83 1 14 "Average Difference" CB 5 1.574 0.272 1.733 25516 84 1 14 "Average Difference" HN 18 0.479 0.076 0.486 25516 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25516 86 1 15 "Average Difference" HA 23 0.367 0.200 0.314 25516 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25516 88 1 15 "Average Difference" CA 4 0.517 0.189 0.556 25516 89 1 15 "Average Difference" CB 5 1.595 0.186 1.771 25516 90 1 15 "Average Difference" HN 18 0.506 0.218 0.470 25516 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25516 92 1 16 "Average Difference" HA 23 0.275 0.190 0.203 25516 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25516 94 1 16 "Average Difference" CA 4 0.470 -0.100 0.530 25516 95 1 16 "Average Difference" CB 5 1.227 0.730 1.103 25516 96 1 16 "Average Difference" HN 18 0.520 0.192 0.498 25516 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25516 98 1 17 "Average Difference" HA 23 0.319 0.171 0.276 25516 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25516 100 1 17 "Average Difference" CA 4 0.389 0.165 0.407 25516 101 1 17 "Average Difference" CB 5 1.138 0.792 0.914 25516 102 1 17 "Average Difference" HN 18 0.414 0.132 0.404 25516 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25516 104 1 18 "Average Difference" HA 23 0.330 0.215 0.256 25516 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25516 106 1 18 "Average Difference" CA 4 0.723 0.063 0.832 25516 107 1 18 "Average Difference" CB 5 1.240 0.166 1.374 25516 108 1 18 "Average Difference" HN 18 0.559 0.143 0.556 25516 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25516 110 1 19 "Average Difference" HA 23 0.322 0.209 0.250 25516 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25516 112 1 19 "Average Difference" CA 4 0.844 -0.138 0.962 25516 113 1 19 "Average Difference" CB 5 1.122 0.812 0.866 25516 114 1 19 "Average Difference" HN 18 0.507 0.149 0.499 25516 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25516 116 1 20 "Average Difference" HA 23 0.285 0.135 0.257 25516 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25516 118 1 20 "Average Difference" CA 4 0.579 0.005 0.669 25516 119 1 20 "Average Difference" CB 5 1.071 0.453 1.086 25516 120 1 20 "Average Difference" HN 18 0.411 0.124 0.403 25516 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 25516 _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 HIS HA H 2 4.157 4.157 4.716 -0.559 25516 2 1 . 1 1 2 2 HIS H H 2 8.567 8.567 8.446 0.121 25516 3 1 . 1 1 3 3 CYS HA H 3 4.264 4.264 4.756 -0.492 25516 4 1 . 1 1 3 3 CYS H H 3 7.901 7.901 8.215 -0.314 25516 5 1 . 1 1 4 4 SER HA H 4 3.996 3.996 4.378 -0.382 25516 6 1 . 1 1 4 4 SER CA C 4 59.701 59.701 59.828 -0.127 25516 7 1 . 1 1 4 4 SER CB C 4 62.904 62.904 63.389 -0.485 25516 8 1 . 1 1 4 4 SER H H 4 7.625 7.625 8.106 -0.481 25516 9 1 . 1 1 5 5 ASP HA H 5 4.786 4.786 4.946 -0.160 25516 10 1 . 1 1 5 5 ASP H H 5 7.500 7.500 7.589 -0.089 25516 11 1 . 1 1 6 6 PRO HA H 6 4.070 4.070 4.293 -0.223 25516 12 1 . 1 1 6 6 PRO CA C 6 64.972 64.972 65.032 -0.060 25516 13 1 . 1 1 7 7 ARG HA H 7 3.914 3.914 4.207 -0.293 25516 14 1 . 1 1 7 7 ARG H H 7 7.791 7.791 8.488 -0.697 25516 15 1 . 1 1 8 8 PHE HA H 8 4.014 4.014 4.405 -0.391 25516 16 1 . 1 1 8 8 PHE CB C 8 39.153 39.153 38.907 0.246 25516 17 1 . 1 1 8 8 PHE H H 8 7.691 7.691 8.248 -0.557 25516 18 1 . 1 1 9 9 ASN HA H 9 4.153 4.153 4.328 -0.175 25516 19 1 . 1 1 9 9 ASN H H 9 8.578 8.578 7.989 0.589 25516 20 1 . 1 1 10 10 TYR HA H 10 3.752 3.752 4.318 -0.566 25516 21 1 . 1 1 10 10 TYR H H 10 7.664 7.664 7.684 -0.020 25516 22 1 . 1 1 11 11 ASP HA H 11 3.988 3.988 4.115 -0.127 25516 23 1 . 1 1 11 11 ASP H H 11 7.710 7.710 8.293 -0.583 25516 24 1 . 1 1 12 12 HIS HA H 12 4.994 4.994 4.974 0.020 25516 25 1 . 1 1 12 12 HIS CB C 12 27.882 27.882 29.959 -2.077 25516 26 1 . 1 1 12 12 HIS H H 12 7.287 7.287 7.936 -0.649 25516 27 1 . 1 1 13 13 PRO HA H 13 4.187 4.187 4.377 -0.190 25516 28 1 . 1 1 14 14 GLU HA H 14 3.983 3.983 4.066 -0.083 25516 29 1 . 1 1 14 14 GLU CA C 14 58.408 58.408 58.946 -0.538 25516 30 1 . 1 1 14 14 GLU CB C 14 27.347 27.347 27.878 -0.531 25516 31 1 . 1 1 14 14 GLU H H 14 9.338 9.338 8.672 0.666 25516 32 1 . 1 1 15 15 ILE HA H 15 3.983 3.983 3.819 0.164 25516 33 1 . 1 1 15 15 ILE H H 15 7.160 7.160 7.608 -0.448 25516 34 1 . 1 1 16 16 CYS HA H 16 4.727 4.727 4.457 0.270 25516 35 1 . 1 1 16 16 CYS H H 16 8.042 8.042 7.790 0.252 25516 36 1 . 1 1 17 17 GLY CA C 17 46.446 46.446 46.229 0.217 25516 37 1 . 1 1 17 17 GLY H H 17 8.191 8.191 8.356 -0.165 25516 38 1 . 1 1 18 18 GLY H H 18 8.150 8.150 8.050 0.100 25516 39 1 . 1 1 19 19 ALA HA H 19 4.080 4.080 4.373 -0.293 25516 40 1 . 1 1 19 19 ALA CB C 19 19.393 19.393 19.135 0.258 25516 41 1 . 1 1 19 19 ALA H H 19 7.782 7.782 7.946 -0.164 25516 42 1 . 1 1 20 20 ALA HA H 20 3.994 3.994 4.185 -0.191 25516 43 1 . 1 1 20 20 ALA H H 20 8.238 8.238 8.239 -0.001 25516 44 1 . 1 1 21 21 GLY H H 21 8.180 8.180 8.407 -0.227 25516 stop_ save_