data_15900_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15900
_Entry.PDB_ID 2K72
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_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.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 8 . 1 1 1 A 2 2 GLY H H 2 8.690 8.831 -0.141 1
1 9 . 1 1 1 A 2 2 GLY HA2 H 2 3.900 3.955 -0.055 1
1 10 . 1 1 1 A 2 2 GLY HA3 H 2 3.900 3.961 -0.061 1
1 11 . 1 1 1 A 3 3 CYS H H 3 8.700 8.031 0.669 1
1 12 . 1 1 1 A 3 3 CYS HA H 3 4.710 4.539 0.171 1
1 15 . 1 1 1 A 4 4 LEU H H 4 8.100 8.290 -0.190 1
1 16 . 1 1 1 A 4 4 LEU HA H 4 4.710 4.691 0.019 1
1 26 . 1 1 1 A 5 5 ASP H H 5 8.720 8.745 -0.025 1
1 27 . 1 1 1 A 5 5 ASP HA H 5 5.070 5.289 -0.219 1
1 30 . 1 1 1 A 6 6 ARG H H 6 9.520 8.151 1.369 1
1 31 . 1 1 1 A 6 6 ARG HA H 6 4.360 4.689 -0.329 1
1 39 . 1 1 1 A 7 7 ILE H H 7 7.030 7.482 -0.452 1
1 40 . 1 1 1 A 7 7 ILE HA H 7 4.730 4.555 0.175 1
1 50 . 1 1 1 A 8 8 PHE H H 8 8.590 8.768 -0.178 1
1 51 . 1 1 1 A 8 8 PHE HA H 8 4.340 4.501 -0.161 1
1 58 . 1 1 1 A 9 9 VAL H H 9 6.820 7.535 -0.715 1
1 59 . 1 1 1 A 9 9 VAL HA H 9 3.850 3.804 0.046 1
1 67 . 1 1 1 A 10 10 CYS H H 10 7.100 7.581 -0.481 1
1 68 . 1 1 1 A 10 10 CYS HA H 10 4.190 4.248 -0.058 1
1 71 . 1 1 1 A 11 11 THR H H 11 7.770 7.985 -0.215 1
1 72 . 1 1 1 A 11 11 THR HA H 11 3.860 3.968 -0.108 1
1 77 . 1 1 1 A 12 12 SER H H 12 7.730 7.905 -0.175 1
1 78 . 1 1 1 A 12 12 SER HA H 12 4.150 4.135 0.015 1
1 81 . 1 1 1 A 13 13 TRP H H 13 8.490 7.575 0.915 1
1 82 . 1 1 1 A 13 13 TRP HA H 13 3.980 4.681 -0.701 1
1 91 . 1 1 1 A 14 14 ALA H H 14 8.850 9.191 -0.341 1
1 92 . 1 1 1 A 14 14 ALA HA H 14 4.270 4.194 0.076 1
1 96 . 1 1 1 A 15 15 ARG H H 15 7.900 7.731 0.169 1
1 97 . 1 1 1 A 15 15 ARG HA H 15 4.190 4.252 -0.062 1
1 105 . 1 1 1 A 16 16 LYS H H 16 7.490 8.279 -0.789 1
1 106 . 1 1 1 A 16 16 LYS HA H 16 4.330 4.587 -0.257 1
1 118 . 1 1 1 A 17 17 GLY H H 17 7.610 8.033 -0.423 1
1 119 . 1 1 1 A 17 17 GLY HA2 H 17 4.480 3.984 0.496 1
1 120 . 1 1 1 A 17 17 GLY HA3 H 17 4.150 4.017 0.133 1
1 121 . 1 1 1 A 18 18 PHE H H 18 8.080 8.121 -0.041 1
1 122 . 1 1 1 A 18 18 PHE HA H 18 4.380 4.468 -0.088 1
1 130 . 1 1 1 A 19 19 CYS H H 19 9.520 7.919 1.601 1
1 131 . 1 1 1 A 19 19 CYS HA H 19 4.160 5.114 -0.954 1
1 134 . 1 1 1 A 20 20 ASP H H 20 7.350 8.201 -0.851 1
1 135 . 1 1 1 A 20 20 ASP HA H 20 4.880 5.264 -0.384 1
1 138 . 1 1 1 A 21 21 VAL H H 21 7.350 7.670 -0.320 1
1 139 . 1 1 1 A 21 21 VAL HA H 21 4.250 4.127 0.123 1
1 147 . 1 1 1 A 22 22 ARG H H 22 8.310 7.673 0.637 1
1 148 . 1 1 1 A 22 22 ARG HA H 22 4.710 4.184 0.526 1
1 156 . 1 1 1 A 23 23 GLN H H 23 7.820 8.348 -0.528 1
1 157 . 1 1 1 A 23 23 GLN HA H 23 3.920 4.313 -0.393 1
1 164 . 1 1 1 A 24 24 ARG H H 24 8.520 7.969 0.551 1
1 165 . 1 1 1 A 24 24 ARG HA H 24 3.860 3.915 -0.055 1
1 173 . 1 1 1 A 25 25 LEU H H 25 7.830 8.407 -0.577 1
1 174 . 1 1 1 A 25 25 LEU HA H 25 4.130 4.272 -0.142 1
1 184 . 1 1 1 A 26 26 MET H H 26 8.490 7.878 0.612 1
1 185 . 1 1 1 A 26 26 MET HA H 26 4.460 4.312 0.148 1
1 193 . 1 1 1 A 27 27 LYS H H 27 8.930 8.351 0.579 1
1 194 . 1 1 1 A 27 27 LYS HA H 27 4.010 3.326 0.684 1
1 206 . 1 1 1 A 28 28 ARG H H 28 7.150 8.011 -0.861 1
1 207 . 1 1 1 A 28 28 ARG HA H 28 4.290 4.290 0.000 1
1 215 . 1 1 1 A 29 29 LEU H H 29 8.490 7.375 1.115 1
1 216 . 1 1 1 A 29 29 LEU HA H 29 4.600 4.127 0.473 1
1 226 . 1 1 1 A 30 30 CYS H H 30 8.930 7.894 1.036 1
1 227 . 1 1 1 A 30 30 CYS HA H 30 5.850 5.005 0.845 1
1 230 . 1 1 1 A 31 31 PRO HA H 31 4.240 4.780 -0.540 1
1 237 . 1 1 1 A 32 32 ARG H H 32 7.110 8.478 -1.368 1
1 238 . 1 1 1 A 32 32 ARG HA H 32 4.190 4.090 0.100 1
1 246 . 1 1 1 A 33 33 SER H H 33 10.230 7.876 2.354 1
1 247 . 1 1 1 A 33 33 SER HA H 33 4.120 4.118 0.002 1
1 250 . 1 1 1 A 34 34 CYS H H 34 6.950 7.404 -0.454 1
1 251 . 1 1 1 A 34 34 CYS HA H 34 4.570 4.445 0.125 1
1 254 . 1 1 1 A 35 35 ASP H H 35 7.740 7.867 -0.127 1
1 255 . 1 1 1 A 35 35 ASP HA H 35 4.490 4.519 -0.029 1
1 258 . 1 1 1 A 36 36 PHE H H 36 9.020 8.325 0.695 1
1 259 . 1 1 1 A 36 36 PHE HA H 36 5.290 4.568 0.722 1
1 8 . 2 1 1 A 2 2 GLY H H 2 8.690 7.937 0.753 1
1 9 . 2 1 1 A 2 2 GLY HA2 H 2 3.900 3.786 0.114 1
1 10 . 2 1 1 A 2 2 GLY HA3 H 2 3.900 3.873 0.027 1
1 11 . 2 1 1 A 3 3 CYS H H 3 8.700 7.656 1.044 1
1 12 . 2 1 1 A 3 3 CYS HA H 3 4.710 4.636 0.074 1
1 15 . 2 1 1 A 4 4 LEU H H 4 8.100 8.714 -0.614 1
1 16 . 2 1 1 A 4 4 LEU HA H 4 4.710 4.765 -0.055 1
1 26 . 2 1 1 A 5 5 ASP H H 5 8.720 8.477 0.243 1
1 27 . 2 1 1 A 5 5 ASP HA H 5 5.070 5.382 -0.312 1
1 30 . 2 1 1 A 6 6 ARG H H 6 9.520 8.235 1.285 1
1 31 . 2 1 1 A 6 6 ARG HA H 6 4.360 4.659 -0.299 1
1 39 . 2 1 1 A 7 7 ILE H H 7 7.030 7.504 -0.474 1
1 40 . 2 1 1 A 7 7 ILE HA H 7 4.730 4.244 0.486 1
1 50 . 2 1 1 A 8 8 PHE H H 8 8.590 8.538 0.052 1
1 51 . 2 1 1 A 8 8 PHE HA H 8 4.340 4.795 -0.455 1
1 58 . 2 1 1 A 9 9 VAL H H 9 6.820 7.737 -0.917 1
1 59 . 2 1 1 A 9 9 VAL HA H 9 3.850 3.999 -0.149 1
1 67 . 2 1 1 A 10 10 CYS H H 10 7.100 7.585 -0.485 1
1 68 . 2 1 1 A 10 10 CYS HA H 10 4.190 3.842 0.348 1
1 71 . 2 1 1 A 11 11 THR H H 11 7.770 8.016 -0.246 1
1 72 . 2 1 1 A 11 11 THR HA H 11 3.860 3.822 0.038 1
1 77 . 2 1 1 A 12 12 SER H H 12 7.730 7.789 -0.059 1
1 78 . 2 1 1 A 12 12 SER HA H 12 4.150 4.264 -0.114 1
1 81 . 2 1 1 A 13 13 TRP H H 13 8.490 7.590 0.900 1
1 82 . 2 1 1 A 13 13 TRP HA H 13 3.980 4.522 -0.542 1
1 91 . 2 1 1 A 14 14 ALA H H 14 8.850 8.879 -0.029 1
1 92 . 2 1 1 A 14 14 ALA HA H 14 4.270 4.173 0.097 1
1 96 . 2 1 1 A 15 15 ARG H H 15 7.900 7.583 0.317 1
1 97 . 2 1 1 A 15 15 ARG HA H 15 4.190 4.452 -0.262 1
1 105 . 2 1 1 A 16 16 LYS H H 16 7.490 8.456 -0.966 1
1 106 . 2 1 1 A 16 16 LYS HA H 16 4.330 4.612 -0.282 1
1 118 . 2 1 1 A 17 17 GLY H H 17 7.610 8.006 -0.396 1
1 119 . 2 1 1 A 17 17 GLY HA2 H 17 4.480 4.004 0.476 1
1 120 . 2 1 1 A 17 17 GLY HA3 H 17 4.150 4.036 0.114 1
1 121 . 2 1 1 A 18 18 PHE H H 18 8.080 8.099 -0.019 1
1 122 . 2 1 1 A 18 18 PHE HA H 18 4.380 4.432 -0.052 1
1 130 . 2 1 1 A 19 19 CYS H H 19 9.520 8.501 1.019 1
1 131 . 2 1 1 A 19 19 CYS HA H 19 4.160 4.845 -0.685 1
1 134 . 2 1 1 A 20 20 ASP H H 20 7.350 8.300 -0.950 1
1 135 . 2 1 1 A 20 20 ASP HA H 20 4.880 4.949 -0.069 1
1 138 . 2 1 1 A 21 21 VAL H H 21 7.350 7.712 -0.362 1
1 139 . 2 1 1 A 21 21 VAL HA H 21 4.250 3.893 0.357 1
1 147 . 2 1 1 A 22 22 ARG H H 22 8.310 8.021 0.289 1
1 148 . 2 1 1 A 22 22 ARG HA H 22 4.710 4.049 0.661 1
1 156 . 2 1 1 A 23 23 GLN H H 23 7.820 8.287 -0.467 1
1 157 . 2 1 1 A 23 23 GLN HA H 23 3.920 4.143 -0.223 1
1 164 . 2 1 1 A 24 24 ARG H H 24 8.520 8.061 0.459 1
1 165 . 2 1 1 A 24 24 ARG HA H 24 3.860 3.995 -0.135 1
1 173 . 2 1 1 A 25 25 LEU H H 25 7.830 7.990 -0.160 1
1 174 . 2 1 1 A 25 25 LEU HA H 25 4.130 4.283 -0.153 1
1 184 . 2 1 1 A 26 26 MET H H 26 8.490 7.988 0.502 1
1 185 . 2 1 1 A 26 26 MET HA H 26 4.460 4.598 -0.138 1
1 193 . 2 1 1 A 27 27 LYS H H 27 8.930 8.033 0.897 1
1 194 . 2 1 1 A 27 27 LYS HA H 27 4.010 4.193 -0.183 1
1 206 . 2 1 1 A 28 28 ARG H H 28 7.150 8.083 -0.933 1
1 207 . 2 1 1 A 28 28 ARG HA H 28 4.290 4.468 -0.178 1
1 215 . 2 1 1 A 29 29 LEU H H 29 8.490 7.652 0.838 1
1 216 . 2 1 1 A 29 29 LEU HA H 29 4.600 3.958 0.642 1
1 226 . 2 1 1 A 30 30 CYS H H 30 8.930 7.868 1.062 1
1 227 . 2 1 1 A 30 30 CYS HA H 30 5.850 5.000 0.850 1
1 230 . 2 1 1 A 31 31 PRO HA H 31 4.240 4.475 -0.235 1
1 237 . 2 1 1 A 32 32 ARG H H 32 7.110 8.255 -1.145 1
1 238 . 2 1 1 A 32 32 ARG HA H 32 4.190 4.047 0.143 1
1 246 . 2 1 1 A 33 33 SER H H 33 10.230 8.237 1.993 1
1 247 . 2 1 1 A 33 33 SER HA H 33 4.120 3.927 0.193 1
1 250 . 2 1 1 A 34 34 CYS H H 34 6.950 7.529 -0.579 1
1 251 . 2 1 1 A 34 34 CYS HA H 34 4.570 4.410 0.160 1
1 254 . 2 1 1 A 35 35 ASP H H 35 7.740 8.327 -0.587 1
1 255 . 2 1 1 A 35 35 ASP HA H 35 4.490 4.277 0.213 1
1 258 . 2 1 1 A 36 36 PHE H H 36 9.020 7.877 1.143 1
1 259 . 2 1 1 A 36 36 PHE HA H 36 5.290 4.419 0.871 1
1 8 . 3 1 1 A 2 2 GLY H H 2 8.690 8.101 0.589 1
1 9 . 3 1 1 A 2 2 GLY HA2 H 2 3.900 3.930 -0.030 1
1 10 . 3 1 1 A 2 2 GLY HA3 H 2 3.900 3.959 -0.059 1
1 11 . 3 1 1 A 3 3 CYS H H 3 8.700 8.085 0.615 1
1 12 . 3 1 1 A 3 3 CYS HA H 3 4.710 4.202 0.508 1
1 15 . 3 1 1 A 4 4 LEU H H 4 8.100 7.599 0.501 1
1 16 . 3 1 1 A 4 4 LEU HA H 4 4.710 5.048 -0.338 1
1 26 . 3 1 1 A 5 5 ASP H H 5 8.720 8.664 0.056 1
1 27 . 3 1 1 A 5 5 ASP HA H 5 5.070 5.282 -0.212 1
1 30 . 3 1 1 A 6 6 ARG H H 6 9.520 10.055 -0.535 1
1 31 . 3 1 1 A 6 6 ARG HA H 6 4.360 4.649 -0.289 1
1 39 . 3 1 1 A 7 7 ILE H H 7 7.030 7.536 -0.506 1
1 40 . 3 1 1 A 7 7 ILE HA H 7 4.730 4.491 0.239 1
1 50 . 3 1 1 A 8 8 PHE H H 8 8.590 8.804 -0.214 1
1 51 . 3 1 1 A 8 8 PHE HA H 8 4.340 4.708 -0.368 1
1 58 . 3 1 1 A 9 9 VAL H H 9 6.820 7.718 -0.898 1
1 59 . 3 1 1 A 9 9 VAL HA H 9 3.850 3.564 0.286 1
1 67 . 3 1 1 A 10 10 CYS H H 10 7.100 8.351 -1.251 1
1 68 . 3 1 1 A 10 10 CYS HA H 10 4.190 4.536 -0.346 1
1 71 . 3 1 1 A 11 11 THR H H 11 7.770 7.584 0.186 1
1 72 . 3 1 1 A 11 11 THR HA H 11 3.860 3.713 0.147 1
1 77 . 3 1 1 A 12 12 SER H H 12 7.730 7.919 -0.189 1
1 78 . 3 1 1 A 12 12 SER HA H 12 4.150 4.037 0.113 1
1 81 . 3 1 1 A 13 13 TRP H H 13 8.490 8.095 0.395 1
1 82 . 3 1 1 A 13 13 TRP HA H 13 3.980 4.200 -0.220 1
1 91 . 3 1 1 A 14 14 ALA H H 14 8.850 8.470 0.380 1
1 92 . 3 1 1 A 14 14 ALA HA H 14 4.270 4.170 0.100 1
1 96 . 3 1 1 A 15 15 ARG H H 15 7.900 7.872 0.028 1
1 97 . 3 1 1 A 15 15 ARG HA H 15 4.190 4.231 -0.041 1
1 105 . 3 1 1 A 16 16 LYS H H 16 7.490 8.618 -1.128 1
1 106 . 3 1 1 A 16 16 LYS HA H 16 4.330 4.505 -0.175 1
1 118 . 3 1 1 A 17 17 GLY H H 17 7.610 7.777 -0.167 1
1 119 . 3 1 1 A 17 17 GLY HA2 H 17 4.480 3.992 0.488 1
1 120 . 3 1 1 A 17 17 GLY HA3 H 17 4.150 3.994 0.156 1
1 121 . 3 1 1 A 18 18 PHE H H 18 8.080 8.155 -0.075 1
1 122 . 3 1 1 A 18 18 PHE HA H 18 4.380 4.155 0.225 1
1 130 . 3 1 1 A 19 19 CYS H H 19 9.520 8.384 1.136 1
1 131 . 3 1 1 A 19 19 CYS HA H 19 4.160 4.662 -0.502 1
1 134 . 3 1 1 A 20 20 ASP H H 20 7.350 8.441 -1.091 1
1 135 . 3 1 1 A 20 20 ASP HA H 20 4.880 4.821 0.059 1
1 138 . 3 1 1 A 21 21 VAL H H 21 7.350 7.650 -0.300 1
1 139 . 3 1 1 A 21 21 VAL HA H 21 4.250 3.766 0.484 1
1 147 . 3 1 1 A 22 22 ARG H H 22 8.310 7.469 0.841 1
1 148 . 3 1 1 A 22 22 ARG HA H 22 4.710 3.950 0.760 1
1 156 . 3 1 1 A 23 23 GLN H H 23 7.820 7.768 0.052 1
1 157 . 3 1 1 A 23 23 GLN HA H 23 3.920 3.799 0.121 1
1 164 . 3 1 1 A 24 24 ARG H H 24 8.520 8.121 0.399 1
1 165 . 3 1 1 A 24 24 ARG HA H 24 3.860 3.884 -0.024 1
1 173 . 3 1 1 A 25 25 LEU H H 25 7.830 8.662 -0.832 1
1 174 . 3 1 1 A 25 25 LEU HA H 25 4.130 4.069 0.061 1
1 184 . 3 1 1 A 26 26 MET H H 26 8.490 8.166 0.324 1
1 185 . 3 1 1 A 26 26 MET HA H 26 4.460 4.158 0.302 1
1 193 . 3 1 1 A 27 27 LYS H H 27 8.930 8.619 0.311 1
1 194 . 3 1 1 A 27 27 LYS HA H 27 4.010 3.508 0.502 1
1 206 . 3 1 1 A 28 28 ARG H H 28 7.150 8.044 -0.894 1
1 207 . 3 1 1 A 28 28 ARG HA H 28 4.290 4.338 -0.048 1
1 215 . 3 1 1 A 29 29 LEU H H 29 8.490 8.171 0.319 1
1 216 . 3 1 1 A 29 29 LEU HA H 29 4.600 4.379 0.221 1
1 226 . 3 1 1 A 30 30 CYS H H 30 8.930 8.702 0.228 1
1 227 . 3 1 1 A 30 30 CYS HA H 30 5.850 5.046 0.804 1
1 230 . 3 1 1 A 31 31 PRO HA H 31 4.240 4.685 -0.445 1
1 237 . 3 1 1 A 32 32 ARG H H 32 7.110 8.941 -1.831 1
1 238 . 3 1 1 A 32 32 ARG HA H 32 4.190 4.118 0.072 1
1 246 . 3 1 1 A 33 33 SER H H 33 10.230 7.927 2.303 1
1 247 . 3 1 1 A 33 33 SER HA H 33 4.120 4.409 -0.289 1
1 250 . 3 1 1 A 34 34 CYS H H 34 6.950 7.256 -0.306 1
1 251 . 3 1 1 A 34 34 CYS HA H 34 4.570 4.363 0.207 1
1 254 . 3 1 1 A 35 35 ASP H H 35 7.740 7.874 -0.134 1
1 255 . 3 1 1 A 35 35 ASP HA H 35 4.490 4.442 0.048 1
1 258 . 3 1 1 A 36 36 PHE H H 36 9.020 7.562 1.458 1
1 259 . 3 1 1 A 36 36 PHE HA H 36 5.290 4.271 1.019 1
1 8 . 4 1 1 A 2 2 GLY H H 2 8.690 9.011 -0.321 1
1 9 . 4 1 1 A 2 2 GLY HA2 H 2 3.900 3.823 0.077 1
1 10 . 4 1 1 A 2 2 GLY HA3 H 2 3.900 3.856 0.044 1
1 11 . 4 1 1 A 3 3 CYS H H 3 8.700 7.702 0.998 1
1 12 . 4 1 1 A 3 3 CYS HA H 3 4.710 4.519 0.191 1
1 15 . 4 1 1 A 4 4 LEU H H 4 8.100 8.334 -0.234 1
1 16 . 4 1 1 A 4 4 LEU HA H 4 4.710 4.764 -0.054 1
1 26 . 4 1 1 A 5 5 ASP H H 5 8.720 8.806 -0.086 1
1 27 . 4 1 1 A 5 5 ASP HA H 5 5.070 4.745 0.325 1
1 30 . 4 1 1 A 6 6 ARG H H 6 9.520 8.782 0.738 1
1 31 . 4 1 1 A 6 6 ARG HA H 6 4.360 4.730 -0.370 1
1 39 . 4 1 1 A 7 7 ILE H H 7 7.030 7.689 -0.659 1
1 40 . 4 1 1 A 7 7 ILE HA H 7 4.730 4.648 0.082 1
1 50 . 4 1 1 A 8 8 PHE H H 8 8.590 8.582 0.008 1
1 51 . 4 1 1 A 8 8 PHE HA H 8 4.340 4.846 -0.506 1
1 58 . 4 1 1 A 9 9 VAL H H 9 6.820 7.653 -0.833 1
1 59 . 4 1 1 A 9 9 VAL HA H 9 3.850 3.823 0.027 1
1 67 . 4 1 1 A 10 10 CYS H H 10 7.100 7.714 -0.614 1
1 68 . 4 1 1 A 10 10 CYS HA H 10 4.190 4.661 -0.471 1
1 71 . 4 1 1 A 11 11 THR H H 11 7.770 7.571 0.199 1
1 72 . 4 1 1 A 11 11 THR HA H 11 3.860 3.971 -0.111 1
1 77 . 4 1 1 A 12 12 SER H H 12 7.730 7.899 -0.169 1
1 78 . 4 1 1 A 12 12 SER HA H 12 4.150 4.131 0.019 1
1 81 . 4 1 1 A 13 13 TRP H H 13 8.490 7.381 1.109 1
1 82 . 4 1 1 A 13 13 TRP HA H 13 3.980 4.168 -0.188 1
1 91 . 4 1 1 A 14 14 ALA H H 14 8.850 8.066 0.784 1
1 92 . 4 1 1 A 14 14 ALA HA H 14 4.270 4.177 0.093 1
1 96 . 4 1 1 A 15 15 ARG H H 15 7.900 7.946 -0.046 1
1 97 . 4 1 1 A 15 15 ARG HA H 15 4.190 4.250 -0.060 1
1 105 . 4 1 1 A 16 16 LYS H H 16 7.490 8.741 -1.251 1
1 106 . 4 1 1 A 16 16 LYS HA H 16 4.330 4.594 -0.264 1
1 118 . 4 1 1 A 17 17 GLY H H 17 7.610 7.742 -0.132 1
1 119 . 4 1 1 A 17 17 GLY HA2 H 17 4.480 3.979 0.501 1
1 120 . 4 1 1 A 17 17 GLY HA3 H 17 4.150 3.993 0.157 1
1 121 . 4 1 1 A 18 18 PHE H H 18 8.080 7.789 0.291 1
1 122 . 4 1 1 A 18 18 PHE HA H 18 4.380 4.219 0.161 1
1 130 . 4 1 1 A 19 19 CYS H H 19 9.520 8.227 1.293 1
1 131 . 4 1 1 A 19 19 CYS HA H 19 4.160 4.889 -0.729 1
1 134 . 4 1 1 A 20 20 ASP H H 20 7.350 8.341 -0.991 1
1 135 . 4 1 1 A 20 20 ASP HA H 20 4.880 4.936 -0.056 1
1 138 . 4 1 1 A 21 21 VAL H H 21 7.350 7.479 -0.129 1
1 139 . 4 1 1 A 21 21 VAL HA H 21 4.250 4.248 0.002 1
1 147 . 4 1 1 A 22 22 ARG H H 22 8.310 7.462 0.848 1
1 148 . 4 1 1 A 22 22 ARG HA H 22 4.710 4.093 0.617 1
1 156 . 4 1 1 A 23 23 GLN H H 23 7.820 8.317 -0.497 1
1 157 . 4 1 1 A 23 23 GLN HA H 23 3.920 4.222 -0.302 1
1 164 . 4 1 1 A 24 24 ARG H H 24 8.520 7.937 0.583 1
1 165 . 4 1 1 A 24 24 ARG HA H 24 3.860 3.979 -0.119 1
1 173 . 4 1 1 A 25 25 LEU H H 25 7.830 7.822 0.008 1
1 174 . 4 1 1 A 25 25 LEU HA H 25 4.130 4.091 0.039 1
1 184 . 4 1 1 A 26 26 MET H H 26 8.490 7.962 0.528 1
1 185 . 4 1 1 A 26 26 MET HA H 26 4.460 4.231 0.229 1
1 193 . 4 1 1 A 27 27 LYS H H 27 8.930 8.396 0.534 1
1 194 . 4 1 1 A 27 27 LYS HA H 27 4.010 4.312 -0.302 1
1 206 . 4 1 1 A 28 28 ARG H H 28 7.150 7.916 -0.766 1
1 207 . 4 1 1 A 28 28 ARG HA H 28 4.290 4.462 -0.172 1
1 215 . 4 1 1 A 29 29 LEU H H 29 8.490 7.708 0.782 1
1 216 . 4 1 1 A 29 29 LEU HA H 29 4.600 4.298 0.302 1
1 226 . 4 1 1 A 30 30 CYS H H 30 8.930 8.165 0.765 1
1 227 . 4 1 1 A 30 30 CYS HA H 30 5.850 5.161 0.689 1
1 230 . 4 1 1 A 31 31 PRO HA H 31 4.240 4.670 -0.430 1
1 237 . 4 1 1 A 32 32 ARG H H 32 7.110 8.969 -1.859 1
1 238 . 4 1 1 A 32 32 ARG HA H 32 4.190 4.156 0.034 1
1 246 . 4 1 1 A 33 33 SER H H 33 10.230 7.960 2.270 1
1 247 . 4 1 1 A 33 33 SER HA H 33 4.120 4.295 -0.175 1
1 250 . 4 1 1 A 34 34 CYS H H 34 6.950 7.128 -0.178 1
1 251 . 4 1 1 A 34 34 CYS HA H 34 4.570 4.455 0.115 1
1 254 . 4 1 1 A 35 35 ASP H H 35 7.740 7.530 0.210 1
1 255 . 4 1 1 A 35 35 ASP HA H 35 4.490 4.269 0.221 1
1 258 . 4 1 1 A 36 36 PHE H H 36 9.020 7.431 1.589 1
1 259 . 4 1 1 A 36 36 PHE HA H 36 5.290 4.288 1.002 1
1 8 . 5 1 1 A 2 2 GLY H H 2 8.690 7.498 1.192 1
1 9 . 5 1 1 A 2 2 GLY HA2 H 2 3.900 3.686 0.214 1
1 10 . 5 1 1 A 2 2 GLY HA3 H 2 3.900 3.870 0.030 1
1 11 . 5 1 1 A 3 3 CYS H H 3 8.700 7.986 0.714 1
1 12 . 5 1 1 A 3 3 CYS HA H 3 4.710 4.814 -0.104 1
1 15 . 5 1 1 A 4 4 LEU H H 4 8.100 8.759 -0.659 1
1 16 . 5 1 1 A 4 4 LEU HA H 4 4.710 4.489 0.221 1
1 26 . 5 1 1 A 5 5 ASP H H 5 8.720 8.044 0.676 1
1 27 . 5 1 1 A 5 5 ASP HA H 5 5.070 5.093 -0.023 1
1 30 . 5 1 1 A 6 6 ARG H H 6 9.520 8.454 1.066 1
1 31 . 5 1 1 A 6 6 ARG HA H 6 4.360 4.633 -0.273 1
1 39 . 5 1 1 A 7 7 ILE H H 7 7.030 7.560 -0.530 1
1 40 . 5 1 1 A 7 7 ILE HA H 7 4.730 4.382 0.348 1
1 50 . 5 1 1 A 8 8 PHE H H 8 8.590 8.681 -0.091 1
1 51 . 5 1 1 A 8 8 PHE HA H 8 4.340 4.717 -0.377 1
1 58 . 5 1 1 A 9 9 VAL H H 9 6.820 7.603 -0.783 1
1 59 . 5 1 1 A 9 9 VAL HA H 9 3.850 3.882 -0.032 1
1 67 . 5 1 1 A 10 10 CYS H H 10 7.100 7.297 -0.197 1
1 68 . 5 1 1 A 10 10 CYS HA H 10 4.190 3.722 0.468 1
1 71 . 5 1 1 A 11 11 THR H H 11 7.770 7.909 -0.139 1
1 72 . 5 1 1 A 11 11 THR HA H 11 3.860 3.760 0.100 1
1 77 . 5 1 1 A 12 12 SER H H 12 7.730 7.844 -0.114 1
1 78 . 5 1 1 A 12 12 SER HA H 12 4.150 4.169 -0.019 1
1 81 . 5 1 1 A 13 13 TRP H H 13 8.490 7.722 0.768 1
1 82 . 5 1 1 A 13 13 TRP HA H 13 3.980 4.644 -0.664 1
1 91 . 5 1 1 A 14 14 ALA H H 14 8.850 8.506 0.344 1
1 92 . 5 1 1 A 14 14 ALA HA H 14 4.270 4.337 -0.067 1
1 96 . 5 1 1 A 15 15 ARG H H 15 7.900 8.133 -0.233 1
1 97 . 5 1 1 A 15 15 ARG HA H 15 4.190 4.173 0.017 1
1 105 . 5 1 1 A 16 16 LYS H H 16 7.490 8.176 -0.686 1
1 106 . 5 1 1 A 16 16 LYS HA H 16 4.330 4.594 -0.264 1
1 118 . 5 1 1 A 17 17 GLY H H 17 7.610 7.771 -0.161 1
1 119 . 5 1 1 A 17 17 GLY HA2 H 17 4.480 4.080 0.400 1
1 120 . 5 1 1 A 17 17 GLY HA3 H 17 4.150 4.108 0.042 1
1 121 . 5 1 1 A 18 18 PHE H H 18 8.080 8.254 -0.174 1
1 122 . 5 1 1 A 18 18 PHE HA H 18 4.380 4.136 0.244 1
1 130 . 5 1 1 A 19 19 CYS H H 19 9.520 8.327 1.193 1
1 131 . 5 1 1 A 19 19 CYS HA H 19 4.160 4.613 -0.453 1
1 134 . 5 1 1 A 20 20 ASP H H 20 7.350 7.837 -0.487 1
1 135 . 5 1 1 A 20 20 ASP HA H 20 4.880 4.549 0.331 1
1 138 . 5 1 1 A 21 21 VAL H H 21 7.350 8.056 -0.706 1
1 139 . 5 1 1 A 21 21 VAL HA H 21 4.250 3.767 0.483 1
1 147 . 5 1 1 A 22 22 ARG H H 22 8.310 7.765 0.545 1
1 148 . 5 1 1 A 22 22 ARG HA H 22 4.710 4.195 0.515 1
1 156 . 5 1 1 A 23 23 GLN H H 23 7.820 7.778 0.042 1
1 157 . 5 1 1 A 23 23 GLN HA H 23 3.920 3.797 0.123 1
1 164 . 5 1 1 A 24 24 ARG H H 24 8.520 8.336 0.184 1
1 165 . 5 1 1 A 24 24 ARG HA H 24 3.860 4.004 -0.144 1
1 173 . 5 1 1 A 25 25 LEU H H 25 7.830 8.821 -0.991 1
1 174 . 5 1 1 A 25 25 LEU HA H 25 4.130 4.274 -0.144 1
1 184 . 5 1 1 A 26 26 MET H H 26 8.490 8.214 0.276 1
1 185 . 5 1 1 A 26 26 MET HA H 26 4.460 4.488 -0.028 1
1 193 . 5 1 1 A 27 27 LYS H H 27 8.930 8.217 0.713 1
1 194 . 5 1 1 A 27 27 LYS HA H 27 4.010 4.010 0.000 1
1 206 . 5 1 1 A 28 28 ARG H H 28 7.150 7.438 -0.288 1
1 207 . 5 1 1 A 28 28 ARG HA H 28 4.290 4.463 -0.173 1
1 215 . 5 1 1 A 29 29 LEU H H 29 8.490 8.218 0.272 1
1 216 . 5 1 1 A 29 29 LEU HA H 29 4.600 4.101 0.499 1
1 226 . 5 1 1 A 30 30 CYS H H 30 8.930 7.481 1.449 1
1 227 . 5 1 1 A 30 30 CYS HA H 30 5.850 4.980 0.870 1
1 230 . 5 1 1 A 31 31 PRO HA H 31 4.240 4.667 -0.427 1
1 237 . 5 1 1 A 32 32 ARG H H 32 7.110 8.825 -1.715 1
1 238 . 5 1 1 A 32 32 ARG HA H 32 4.190 4.045 0.145 1
1 246 . 5 1 1 A 33 33 SER H H 33 10.230 8.252 1.978 1
1 247 . 5 1 1 A 33 33 SER HA H 33 4.120 4.005 0.115 1
1 250 . 5 1 1 A 34 34 CYS H H 34 6.950 7.239 -0.289 1
1 251 . 5 1 1 A 34 34 CYS HA H 34 4.570 4.478 0.092 1
1 254 . 5 1 1 A 35 35 ASP H H 35 7.740 7.982 -0.242 1
1 255 . 5 1 1 A 35 35 ASP HA H 35 4.490 4.629 -0.139 1
1 258 . 5 1 1 A 36 36 PHE H H 36 9.020 7.466 1.554 1
1 259 . 5 1 1 A 36 36 PHE HA H 36 5.290 4.242 1.048 1
1 8 . 6 1 1 A 2 2 GLY H H 2 8.690 8.367 0.323 1
1 9 . 6 1 1 A 2 2 GLY HA2 H 2 3.900 4.176 -0.276 1
1 10 . 6 1 1 A 2 2 GLY HA3 H 2 3.900 4.191 -0.291 1
1 11 . 6 1 1 A 3 3 CYS H H 3 8.700 8.615 0.085 1
1 12 . 6 1 1 A 3 3 CYS HA H 3 4.710 5.181 -0.471 1
1 15 . 6 1 1 A 4 4 LEU H H 4 8.100 8.784 -0.684 1
1 16 . 6 1 1 A 4 4 LEU HA H 4 4.710 4.895 -0.185 1
1 26 . 6 1 1 A 5 5 ASP H H 5 8.720 8.550 0.170 1
1 27 . 6 1 1 A 5 5 ASP HA H 5 5.070 4.970 0.100 1
1 30 . 6 1 1 A 6 6 ARG H H 6 9.520 8.249 1.271 1
1 31 . 6 1 1 A 6 6 ARG HA H 6 4.360 4.654 -0.294 1
1 39 . 6 1 1 A 7 7 ILE H H 7 7.030 7.579 -0.549 1
1 40 . 6 1 1 A 7 7 ILE HA H 7 4.730 4.495 0.235 1
1 50 . 6 1 1 A 8 8 PHE H H 8 8.590 8.603 -0.013 1
1 51 . 6 1 1 A 8 8 PHE HA H 8 4.340 4.634 -0.294 1
1 58 . 6 1 1 A 9 9 VAL H H 9 6.820 7.871 -1.051 1
1 59 . 6 1 1 A 9 9 VAL HA H 9 3.850 3.520 0.330 1
1 67 . 6 1 1 A 10 10 CYS H H 10 7.100 7.445 -0.345 1
1 68 . 6 1 1 A 10 10 CYS HA H 10 4.190 3.727 0.463 1
1 71 . 6 1 1 A 11 11 THR H H 11 7.770 7.925 -0.155 1
1 72 . 6 1 1 A 11 11 THR HA H 11 3.860 3.815 0.045 1
1 77 . 6 1 1 A 12 12 SER H H 12 7.730 7.829 -0.099 1
1 78 . 6 1 1 A 12 12 SER HA H 12 4.150 4.154 -0.004 1
1 81 . 6 1 1 A 13 13 TRP H H 13 8.490 8.286 0.204 1
1 82 . 6 1 1 A 13 13 TRP HA H 13 3.980 4.264 -0.284 1
1 91 . 6 1 1 A 14 14 ALA H H 14 8.850 8.469 0.381 1
1 92 . 6 1 1 A 14 14 ALA HA H 14 4.270 4.135 0.135 1
1 96 . 6 1 1 A 15 15 ARG H H 15 7.900 7.625 0.275 1
1 97 . 6 1 1 A 15 15 ARG HA H 15 4.190 4.315 -0.125 1
1 105 . 6 1 1 A 16 16 LYS H H 16 7.490 8.668 -1.178 1
1 106 . 6 1 1 A 16 16 LYS HA H 16 4.330 4.536 -0.206 1
1 118 . 6 1 1 A 17 17 GLY H H 17 7.610 8.035 -0.425 1
1 119 . 6 1 1 A 17 17 GLY HA2 H 17 4.480 3.979 0.501 1
1 120 . 6 1 1 A 17 17 GLY HA3 H 17 4.150 3.991 0.159 1
1 121 . 6 1 1 A 18 18 PHE H H 18 8.080 8.080 0.000 1
1 122 . 6 1 1 A 18 18 PHE HA H 18 4.380 4.258 0.122 1
1 130 . 6 1 1 A 19 19 CYS H H 19 9.520 8.566 0.954 1
1 131 . 6 1 1 A 19 19 CYS HA H 19 4.160 4.728 -0.568 1
1 134 . 6 1 1 A 20 20 ASP H H 20 7.350 8.095 -0.745 1
1 135 . 6 1 1 A 20 20 ASP HA H 20 4.880 4.771 0.109 1
1 138 . 6 1 1 A 21 21 VAL H H 21 7.350 8.199 -0.849 1
1 139 . 6 1 1 A 21 21 VAL HA H 21 4.250 4.064 0.186 1
1 147 . 6 1 1 A 22 22 ARG H H 22 8.310 7.973 0.337 1
1 148 . 6 1 1 A 22 22 ARG HA H 22 4.710 4.035 0.675 1
1 156 . 6 1 1 A 23 23 GLN H H 23 7.820 7.708 0.112 1
1 157 . 6 1 1 A 23 23 GLN HA H 23 3.920 4.178 -0.258 1
1 164 . 6 1 1 A 24 24 ARG H H 24 8.520 7.874 0.646 1
1 165 . 6 1 1 A 24 24 ARG HA H 24 3.860 3.935 -0.075 1
1 173 . 6 1 1 A 25 25 LEU H H 25 7.830 8.743 -0.913 1
1 174 . 6 1 1 A 25 25 LEU HA H 25 4.130 4.088 0.042 1
1 184 . 6 1 1 A 26 26 MET H H 26 8.490 8.002 0.488 1
1 185 . 6 1 1 A 26 26 MET HA H 26 4.460 4.550 -0.090 1
1 193 . 6 1 1 A 27 27 LYS H H 27 8.930 7.928 1.002 1
1 194 . 6 1 1 A 27 27 LYS HA H 27 4.010 4.160 -0.150 1
1 206 . 6 1 1 A 28 28 ARG H H 28 7.150 8.113 -0.963 1
1 207 . 6 1 1 A 28 28 ARG HA H 28 4.290 4.349 -0.059 1
1 215 . 6 1 1 A 29 29 LEU H H 29 8.490 7.288 1.202 1
1 216 . 6 1 1 A 29 29 LEU HA H 29 4.600 4.061 0.539 1
1 226 . 6 1 1 A 30 30 CYS H H 30 8.930 7.570 1.360 1
1 227 . 6 1 1 A 30 30 CYS HA H 30 5.850 4.971 0.879 1
1 230 . 6 1 1 A 31 31 PRO HA H 31 4.240 4.222 0.018 1
1 237 . 6 1 1 A 32 32 ARG H H 32 7.110 8.138 -1.028 1
1 238 . 6 1 1 A 32 32 ARG HA H 32 4.190 3.992 0.198 1
1 246 . 6 1 1 A 33 33 SER H H 33 10.230 8.248 1.982 1
1 247 . 6 1 1 A 33 33 SER HA H 33 4.120 4.019 0.101 1
1 250 . 6 1 1 A 34 34 CYS H H 34 6.950 7.576 -0.626 1
1 251 . 6 1 1 A 34 34 CYS HA H 34 4.570 4.414 0.156 1
1 254 . 6 1 1 A 35 35 ASP H H 35 7.740 8.228 -0.488 1
1 255 . 6 1 1 A 35 35 ASP HA H 35 4.490 4.361 0.129 1
1 258 . 6 1 1 A 36 36 PHE H H 36 9.020 7.422 1.598 1
1 259 . 6 1 1 A 36 36 PHE HA H 36 5.290 4.186 1.104 1
1 8 . 7 1 1 A 2 2 GLY H H 2 8.690 8.556 0.134 1
1 9 . 7 1 1 A 2 2 GLY HA2 H 2 3.900 4.032 -0.132 1
1 10 . 7 1 1 A 2 2 GLY HA3 H 2 3.900 4.062 -0.162 1
1 11 . 7 1 1 A 3 3 CYS H H 3 8.700 8.704 -0.004 1
1 12 . 7 1 1 A 3 3 CYS HA H 3 4.710 4.189 0.521 1
1 15 . 7 1 1 A 4 4 LEU H H 4 8.100 7.814 0.286 1
1 16 . 7 1 1 A 4 4 LEU HA H 4 4.710 4.916 -0.206 1
1 26 . 7 1 1 A 5 5 ASP H H 5 8.720 8.820 -0.100 1
1 27 . 7 1 1 A 5 5 ASP HA H 5 5.070 4.679 0.391 1
1 30 . 7 1 1 A 6 6 ARG H H 6 9.520 9.027 0.493 1
1 31 . 7 1 1 A 6 6 ARG HA H 6 4.360 4.609 -0.249 1
1 39 . 7 1 1 A 7 7 ILE H H 7 7.030 7.491 -0.461 1
1 40 . 7 1 1 A 7 7 ILE HA H 7 4.730 4.568 0.162 1
1 50 . 7 1 1 A 8 8 PHE H H 8 8.590 8.499 0.091 1
1 51 . 7 1 1 A 8 8 PHE HA H 8 4.340 4.431 -0.091 1
1 58 . 7 1 1 A 9 9 VAL H H 9 6.820 7.025 -0.205 1
1 59 . 7 1 1 A 9 9 VAL HA H 9 3.850 3.387 0.463 1
1 67 . 7 1 1 A 10 10 CYS H H 10 7.100 7.608 -0.508 1
1 68 . 7 1 1 A 10 10 CYS HA H 10 4.190 4.393 -0.203 1
1 71 . 7 1 1 A 11 11 THR H H 11 7.770 7.249 0.521 1
1 72 . 7 1 1 A 11 11 THR HA H 11 3.860 4.055 -0.195 1
1 77 . 7 1 1 A 12 12 SER H H 12 7.730 7.926 -0.196 1
1 78 . 7 1 1 A 12 12 SER HA H 12 4.150 4.067 0.083 1
1 81 . 7 1 1 A 13 13 TRP H H 13 8.490 7.132 1.358 1
1 82 . 7 1 1 A 13 13 TRP HA H 13 3.980 4.287 -0.307 1
1 91 . 7 1 1 A 14 14 ALA H H 14 8.850 8.076 0.774 1
1 92 . 7 1 1 A 14 14 ALA HA H 14 4.270 4.308 -0.038 1
1 96 . 7 1 1 A 15 15 ARG H H 15 7.900 7.654 0.246 1
1 97 . 7 1 1 A 15 15 ARG HA H 15 4.190 4.261 -0.071 1
1 105 . 7 1 1 A 16 16 LYS H H 16 7.490 8.144 -0.654 1
1 106 . 7 1 1 A 16 16 LYS HA H 16 4.330 4.573 -0.243 1
1 118 . 7 1 1 A 17 17 GLY H H 17 7.610 8.034 -0.424 1
1 119 . 7 1 1 A 17 17 GLY HA2 H 17 4.480 3.983 0.497 1
1 120 . 7 1 1 A 17 17 GLY HA3 H 17 4.150 3.984 0.166 1
1 121 . 7 1 1 A 18 18 PHE H H 18 8.080 8.095 -0.015 1
1 122 . 7 1 1 A 18 18 PHE HA H 18 4.380 4.273 0.107 1
1 130 . 7 1 1 A 19 19 CYS H H 19 9.520 8.323 1.197 1
1 131 . 7 1 1 A 19 19 CYS HA H 19 4.160 4.593 -0.433 1
1 134 . 7 1 1 A 20 20 ASP H H 20 7.350 8.163 -0.813 1
1 135 . 7 1 1 A 20 20 ASP HA H 20 4.880 4.481 0.399 1
1 138 . 7 1 1 A 21 21 VAL H H 21 7.350 7.929 -0.579 1
1 139 . 7 1 1 A 21 21 VAL HA H 21 4.250 3.399 0.851 1
1 147 . 7 1 1 A 22 22 ARG H H 22 8.310 8.405 -0.095 1
1 148 . 7 1 1 A 22 22 ARG HA H 22 4.710 3.889 0.821 1
1 156 . 7 1 1 A 23 23 GLN H H 23 7.820 7.841 -0.021 1
1 157 . 7 1 1 A 23 23 GLN HA H 23 3.920 3.943 -0.023 1
1 164 . 7 1 1 A 24 24 ARG H H 24 8.520 7.835 0.685 1
1 165 . 7 1 1 A 24 24 ARG HA H 24 3.860 3.881 -0.021 1
1 173 . 7 1 1 A 25 25 LEU H H 25 7.830 8.321 -0.491 1
1 174 . 7 1 1 A 25 25 LEU HA H 25 4.130 4.083 0.047 1
1 184 . 7 1 1 A 26 26 MET H H 26 8.490 8.241 0.249 1
1 185 . 7 1 1 A 26 26 MET HA H 26 4.460 4.572 -0.112 1
1 193 . 7 1 1 A 27 27 LYS H H 27 8.930 7.960 0.970 1
1 194 . 7 1 1 A 27 27 LYS HA H 27 4.010 4.136 -0.126 1
1 206 . 7 1 1 A 28 28 ARG H H 28 7.150 8.093 -0.943 1
1 207 . 7 1 1 A 28 28 ARG HA H 28 4.290 4.341 -0.051 1
1 215 . 7 1 1 A 29 29 LEU H H 29 8.490 7.920 0.570 1
1 216 . 7 1 1 A 29 29 LEU HA H 29 4.600 4.677 -0.077 1
1 226 . 7 1 1 A 30 30 CYS H H 30 8.930 7.987 0.943 1
1 227 . 7 1 1 A 30 30 CYS HA H 30 5.850 5.029 0.821 1
1 230 . 7 1 1 A 31 31 PRO HA H 31 4.240 4.751 -0.511 1
1 237 . 7 1 1 A 32 32 ARG H H 32 7.110 8.246 -1.136 1
1 238 . 7 1 1 A 32 32 ARG HA H 32 4.190 4.235 -0.045 1
1 246 . 7 1 1 A 33 33 SER H H 33 10.230 8.012 2.218 1
1 247 . 7 1 1 A 33 33 SER HA H 33 4.120 4.375 -0.255 1
1 250 . 7 1 1 A 34 34 CYS H H 34 6.950 7.431 -0.481 1
1 251 . 7 1 1 A 34 34 CYS HA H 34 4.570 4.467 0.103 1
1 254 . 7 1 1 A 35 35 ASP H H 35 7.740 7.971 -0.231 1
1 255 . 7 1 1 A 35 35 ASP HA H 35 4.490 4.284 0.206 1
1 258 . 7 1 1 A 36 36 PHE H H 36 9.020 7.527 1.493 1
1 259 . 7 1 1 A 36 36 PHE HA H 36 5.290 4.143 1.147 1
1 8 . 8 1 1 A 2 2 GLY H H 2 8.690 8.631 0.059 1
1 9 . 8 1 1 A 2 2 GLY HA2 H 2 3.900 4.127 -0.227 1
1 10 . 8 1 1 A 2 2 GLY HA3 H 2 3.900 4.152 -0.252 1
1 11 . 8 1 1 A 3 3 CYS H H 3 8.700 8.574 0.126 1
1 12 . 8 1 1 A 3 3 CYS HA H 3 4.710 4.300 0.410 1
1 15 . 8 1 1 A 4 4 LEU H H 4 8.100 8.478 -0.378 1
1 16 . 8 1 1 A 4 4 LEU HA H 4 4.710 4.731 -0.021 1
1 26 . 8 1 1 A 5 5 ASP H H 5 8.720 8.867 -0.147 1
1 27 . 8 1 1 A 5 5 ASP HA H 5 5.070 4.707 0.363 1
1 30 . 8 1 1 A 6 6 ARG H H 6 9.520 9.294 0.226 1
1 31 . 8 1 1 A 6 6 ARG HA H 6 4.360 4.502 -0.142 1
1 39 . 8 1 1 A 7 7 ILE H H 7 7.030 7.586 -0.556 1
1 40 . 8 1 1 A 7 7 ILE HA H 7 4.730 4.542 0.188 1
1 50 . 8 1 1 A 8 8 PHE H H 8 8.590 8.797 -0.207 1
1 51 . 8 1 1 A 8 8 PHE HA H 8 4.340 4.841 -0.501 1
1 58 . 8 1 1 A 9 9 VAL H H 9 6.820 7.715 -0.895 1
1 59 . 8 1 1 A 9 9 VAL HA H 9 3.850 3.824 0.026 1
1 67 . 8 1 1 A 10 10 CYS H H 10 7.100 7.758 -0.658 1
1 68 . 8 1 1 A 10 10 CYS HA H 10 4.190 4.497 -0.307 1
1 71 . 8 1 1 A 11 11 THR H H 11 7.770 7.638 0.132 1
1 72 . 8 1 1 A 11 11 THR HA H 11 3.860 3.877 -0.017 1
1 77 . 8 1 1 A 12 12 SER H H 12 7.730 8.097 -0.367 1
1 78 . 8 1 1 A 12 12 SER HA H 12 4.150 4.011 0.139 1
1 81 . 8 1 1 A 13 13 TRP H H 13 8.490 7.659 0.831 1
1 82 . 8 1 1 A 13 13 TRP HA H 13 3.980 4.403 -0.423 1
1 91 . 8 1 1 A 14 14 ALA H H 14 8.850 8.284 0.566 1
1 92 . 8 1 1 A 14 14 ALA HA H 14 4.270 4.344 -0.074 1
1 96 . 8 1 1 A 15 15 ARG H H 15 7.900 7.971 -0.071 1
1 97 . 8 1 1 A 15 15 ARG HA H 15 4.190 4.299 -0.109 1
1 105 . 8 1 1 A 16 16 LYS H H 16 7.490 7.992 -0.502 1
1 106 . 8 1 1 A 16 16 LYS HA H 16 4.330 4.657 -0.327 1
1 118 . 8 1 1 A 17 17 GLY H H 17 7.610 8.026 -0.416 1
1 119 . 8 1 1 A 17 17 GLY HA2 H 17 4.480 4.043 0.437 1
1 120 . 8 1 1 A 17 17 GLY HA3 H 17 4.150 4.056 0.094 1
1 121 . 8 1 1 A 18 18 PHE H H 18 8.080 7.767 0.313 1
1 122 . 8 1 1 A 18 18 PHE HA H 18 4.380 4.559 -0.179 1
1 130 . 8 1 1 A 19 19 CYS H H 19 9.520 8.050 1.470 1
1 131 . 8 1 1 A 19 19 CYS HA H 19 4.160 4.637 -0.477 1
1 134 . 8 1 1 A 20 20 ASP H H 20 7.350 8.220 -0.870 1
1 135 . 8 1 1 A 20 20 ASP HA H 20 4.880 4.922 -0.042 1
1 138 . 8 1 1 A 21 21 VAL H H 21 7.350 7.692 -0.342 1
1 139 . 8 1 1 A 21 21 VAL HA H 21 4.250 3.852 0.398 1
1 147 . 8 1 1 A 22 22 ARG H H 22 8.310 7.444 0.866 1
1 148 . 8 1 1 A 22 22 ARG HA H 22 4.710 4.061 0.649 1
1 156 . 8 1 1 A 23 23 GLN H H 23 7.820 8.240 -0.420 1
1 157 . 8 1 1 A 23 23 GLN HA H 23 3.920 4.058 -0.138 1
1 164 . 8 1 1 A 24 24 ARG H H 24 8.520 7.956 0.564 1
1 165 . 8 1 1 A 24 24 ARG HA H 24 3.860 3.961 -0.101 1
1 173 . 8 1 1 A 25 25 LEU H H 25 7.830 8.327 -0.497 1
1 174 . 8 1 1 A 25 25 LEU HA H 25 4.130 4.248 -0.118 1
1 184 . 8 1 1 A 26 26 MET H H 26 8.490 7.633 0.857 1
1 185 . 8 1 1 A 26 26 MET HA H 26 4.460 4.545 -0.085 1
1 193 . 8 1 1 A 27 27 LYS H H 27 8.930 7.432 1.498 1
1 194 . 8 1 1 A 27 27 LYS HA H 27 4.010 4.059 -0.049 1
1 206 . 8 1 1 A 28 28 ARG H H 28 7.150 8.030 -0.880 1
1 207 . 8 1 1 A 28 28 ARG HA H 28 4.290 4.473 -0.183 1
1 215 . 8 1 1 A 29 29 LEU H H 29 8.490 7.950 0.540 1
1 216 . 8 1 1 A 29 29 LEU HA H 29 4.600 4.298 0.302 1
1 226 . 8 1 1 A 30 30 CYS H H 30 8.930 8.050 0.880 1
1 227 . 8 1 1 A 30 30 CYS HA H 30 5.850 5.321 0.529 1
1 230 . 8 1 1 A 31 31 PRO HA H 31 4.240 4.844 -0.604 1
1 237 . 8 1 1 A 32 32 ARG H H 32 7.110 8.810 -1.700 1
1 238 . 8 1 1 A 32 32 ARG HA H 32 4.190 4.209 -0.019 1
1 246 . 8 1 1 A 33 33 SER H H 33 10.230 7.814 2.416 1
1 247 . 8 1 1 A 33 33 SER HA H 33 4.120 4.310 -0.190 1
1 250 . 8 1 1 A 34 34 CYS H H 34 6.950 7.519 -0.569 1
1 251 . 8 1 1 A 34 34 CYS HA H 34 4.570 4.407 0.163 1
1 254 . 8 1 1 A 35 35 ASP H H 35 7.740 7.889 -0.149 1
1 255 . 8 1 1 A 35 35 ASP HA H 35 4.490 4.226 0.264 1
1 258 . 8 1 1 A 36 36 PHE H H 36 9.020 7.728 1.292 1
1 259 . 8 1 1 A 36 36 PHE HA H 36 5.290 4.447 0.843 1
1 8 . 9 1 1 A 2 2 GLY H H 2 8.690 8.571 0.119 1
1 9 . 9 1 1 A 2 2 GLY HA2 H 2 3.900 3.820 0.080 1
1 10 . 9 1 1 A 2 2 GLY HA3 H 2 3.900 3.888 0.012 1
1 11 . 9 1 1 A 3 3 CYS H H 3 8.700 8.338 0.362 1
1 12 . 9 1 1 A 3 3 CYS HA H 3 4.710 5.508 -0.798 1
1 15 . 9 1 1 A 4 4 LEU H H 4 8.100 8.786 -0.686 1
1 16 . 9 1 1 A 4 4 LEU HA H 4 4.710 4.816 -0.106 1
1 26 . 9 1 1 A 5 5 ASP H H 5 8.720 8.610 0.110 1
1 27 . 9 1 1 A 5 5 ASP HA H 5 5.070 5.058 0.012 1
1 30 . 9 1 1 A 6 6 ARG H H 6 9.520 9.278 0.242 1
1 31 . 9 1 1 A 6 6 ARG HA H 6 4.360 4.477 -0.117 1
1 39 . 9 1 1 A 7 7 ILE H H 7 7.030 7.520 -0.490 1
1 40 . 9 1 1 A 7 7 ILE HA H 7 4.730 4.540 0.190 1
1 50 . 9 1 1 A 8 8 PHE H H 8 8.590 8.708 -0.118 1
1 51 . 9 1 1 A 8 8 PHE HA H 8 4.340 4.864 -0.524 1
1 58 . 9 1 1 A 9 9 VAL H H 9 6.820 7.606 -0.786 1
1 59 . 9 1 1 A 9 9 VAL HA H 9 3.850 3.999 -0.149 1
1 67 . 9 1 1 A 10 10 CYS H H 10 7.100 7.664 -0.564 1
1 68 . 9 1 1 A 10 10 CYS HA H 10 4.190 4.118 0.072 1
1 71 . 9 1 1 A 11 11 THR H H 11 7.770 8.205 -0.435 1
1 72 . 9 1 1 A 11 11 THR HA H 11 3.860 3.874 -0.014 1
1 77 . 9 1 1 A 12 12 SER H H 12 7.730 7.915 -0.185 1
1 78 . 9 1 1 A 12 12 SER HA H 12 4.150 4.039 0.111 1
1 81 . 9 1 1 A 13 13 TRP H H 13 8.490 7.807 0.683 1
1 82 . 9 1 1 A 13 13 TRP HA H 13 3.980 4.280 -0.300 1
1 91 . 9 1 1 A 14 14 ALA H H 14 8.850 8.737 0.113 1
1 92 . 9 1 1 A 14 14 ALA HA H 14 4.270 4.319 -0.049 1
1 96 . 9 1 1 A 15 15 ARG H H 15 7.900 7.647 0.253 1
1 97 . 9 1 1 A 15 15 ARG HA H 15 4.190 4.216 -0.026 1
1 105 . 9 1 1 A 16 16 LYS H H 16 7.490 8.503 -1.013 1
1 106 . 9 1 1 A 16 16 LYS HA H 16 4.330 4.604 -0.274 1
1 118 . 9 1 1 A 17 17 GLY H H 17 7.610 8.032 -0.422 1
1 119 . 9 1 1 A 17 17 GLY HA2 H 17 4.480 4.025 0.455 1
1 120 . 9 1 1 A 17 17 GLY HA3 H 17 4.150 4.041 0.109 1
1 121 . 9 1 1 A 18 18 PHE H H 18 8.080 8.098 -0.018 1
1 122 . 9 1 1 A 18 18 PHE HA H 18 4.380 4.195 0.185 1
1 130 . 9 1 1 A 19 19 CYS H H 19 9.520 8.362 1.158 1
1 131 . 9 1 1 A 19 19 CYS HA H 19 4.160 4.888 -0.728 1
1 134 . 9 1 1 A 20 20 ASP H H 20 7.350 8.335 -0.985 1
1 135 . 9 1 1 A 20 20 ASP HA H 20 4.880 4.886 -0.006 1
1 138 . 9 1 1 A 21 21 VAL H H 21 7.350 8.253 -0.903 1
1 139 . 9 1 1 A 21 21 VAL HA H 21 4.250 3.745 0.505 1
1 147 . 9 1 1 A 22 22 ARG H H 22 8.310 7.321 0.989 1
1 148 . 9 1 1 A 22 22 ARG HA H 22 4.710 4.094 0.616 1
1 156 . 9 1 1 A 23 23 GLN H H 23 7.820 8.127 -0.307 1
1 157 . 9 1 1 A 23 23 GLN HA H 23 3.920 4.007 -0.087 1
1 164 . 9 1 1 A 24 24 ARG H H 24 8.520 7.614 0.906 1
1 165 . 9 1 1 A 24 24 ARG HA H 24 3.860 3.914 -0.054 1
1 173 . 9 1 1 A 25 25 LEU H H 25 7.830 8.814 -0.984 1
1 174 . 9 1 1 A 25 25 LEU HA H 25 4.130 4.205 -0.075 1
1 184 . 9 1 1 A 26 26 MET H H 26 8.490 8.276 0.214 1
1 185 . 9 1 1 A 26 26 MET HA H 26 4.460 4.233 0.227 1
1 193 . 9 1 1 A 27 27 LYS H H 27 8.930 7.608 1.322 1
1 194 . 9 1 1 A 27 27 LYS HA H 27 4.010 4.225 -0.215 1
1 206 . 9 1 1 A 28 28 ARG H H 28 7.150 8.820 -1.670 1
1 207 . 9 1 1 A 28 28 ARG HA H 28 4.290 4.470 -0.180 1
1 215 . 9 1 1 A 29 29 LEU H H 29 8.490 7.892 0.598 1
1 216 . 9 1 1 A 29 29 LEU HA H 29 4.600 4.317 0.283 1
1 226 . 9 1 1 A 30 30 CYS H H 30 8.930 8.028 0.902 1
1 227 . 9 1 1 A 30 30 CYS HA H 30 5.850 4.987 0.863 1
1 230 . 9 1 1 A 31 31 PRO HA H 31 4.240 4.705 -0.465 1
1 237 . 9 1 1 A 32 32 ARG H H 32 7.110 8.132 -1.022 1
1 238 . 9 1 1 A 32 32 ARG HA H 32 4.190 4.071 0.119 1
1 246 . 9 1 1 A 33 33 SER H H 33 10.230 8.045 2.185 1
1 247 . 9 1 1 A 33 33 SER HA H 33 4.120 3.937 0.183 1
1 250 . 9 1 1 A 34 34 CYS H H 34 6.950 7.534 -0.584 1
1 251 . 9 1 1 A 34 34 CYS HA H 34 4.570 4.404 0.166 1
1 254 . 9 1 1 A 35 35 ASP H H 35 7.740 7.728 0.012 1
1 255 . 9 1 1 A 35 35 ASP HA H 35 4.490 4.680 -0.190 1
1 258 . 9 1 1 A 36 36 PHE H H 36 9.020 7.883 1.137 1
1 259 . 9 1 1 A 36 36 PHE HA H 36 5.290 4.324 0.966 1
1 8 . 10 1 1 A 2 2 GLY H H 2 8.690 8.545 0.145 1
1 9 . 10 1 1 A 2 2 GLY HA2 H 2 3.900 3.759 0.141 1
1 10 . 10 1 1 A 2 2 GLY HA3 H 2 3.900 3.963 -0.063 1
1 11 . 10 1 1 A 3 3 CYS H H 3 8.700 8.376 0.324 1
1 12 . 10 1 1 A 3 3 CYS HA H 3 4.710 4.750 -0.040 1
1 15 . 10 1 1 A 4 4 LEU H H 4 8.100 7.218 0.882 1
1 16 . 10 1 1 A 4 4 LEU HA H 4 4.710 5.048 -0.338 1
1 26 . 10 1 1 A 5 5 ASP H H 5 8.720 8.569 0.151 1
1 27 . 10 1 1 A 5 5 ASP HA H 5 5.070 4.592 0.478 1
1 30 . 10 1 1 A 6 6 ARG H H 6 9.520 8.766 0.754 1
1 31 . 10 1 1 A 6 6 ARG HA H 6 4.360 4.513 -0.153 1
1 39 . 10 1 1 A 7 7 ILE H H 7 7.030 7.327 -0.297 1
1 40 . 10 1 1 A 7 7 ILE HA H 7 4.730 4.236 0.494 1
1 50 . 10 1 1 A 8 8 PHE H H 8 8.590 8.628 -0.038 1
1 51 . 10 1 1 A 8 8 PHE HA H 8 4.340 4.814 -0.474 1
1 58 . 10 1 1 A 9 9 VAL H H 9 6.820 7.609 -0.789 1
1 59 . 10 1 1 A 9 9 VAL HA H 9 3.850 4.102 -0.252 1
1 67 . 10 1 1 A 10 10 CYS H H 10 7.100 7.731 -0.631 1
1 68 . 10 1 1 A 10 10 CYS HA H 10 4.190 4.165 0.025 1
1 71 . 10 1 1 A 11 11 THR H H 11 7.770 8.012 -0.242 1
1 72 . 10 1 1 A 11 11 THR HA H 11 3.860 3.943 -0.083 1
1 77 . 10 1 1 A 12 12 SER H H 12 7.730 7.955 -0.225 1
1 78 . 10 1 1 A 12 12 SER HA H 12 4.150 4.108 0.042 1
1 81 . 10 1 1 A 13 13 TRP H H 13 8.490 7.252 1.238 1
1 82 . 10 1 1 A 13 13 TRP HA H 13 3.980 4.374 -0.394 1
1 91 . 10 1 1 A 14 14 ALA H H 14 8.850 8.647 0.203 1
1 92 . 10 1 1 A 14 14 ALA HA H 14 4.270 4.384 -0.114 1
1 96 . 10 1 1 A 15 15 ARG H H 15 7.900 7.913 -0.013 1
1 97 . 10 1 1 A 15 15 ARG HA H 15 4.190 4.392 -0.202 1
1 105 . 10 1 1 A 16 16 LYS H H 16 7.490 8.205 -0.715 1
1 106 . 10 1 1 A 16 16 LYS HA H 16 4.330 4.550 -0.220 1
1 118 . 10 1 1 A 17 17 GLY H H 17 7.610 8.043 -0.433 1
1 119 . 10 1 1 A 17 17 GLY HA2 H 17 4.480 4.058 0.422 1
1 120 . 10 1 1 A 17 17 GLY HA3 H 17 4.150 4.067 0.083 1
1 121 . 10 1 1 A 18 18 PHE H H 18 8.080 7.956 0.124 1
1 122 . 10 1 1 A 18 18 PHE HA H 18 4.380 4.240 0.140 1
1 130 . 10 1 1 A 19 19 CYS H H 19 9.520 8.315 1.205 1
1 131 . 10 1 1 A 19 19 CYS HA H 19 4.160 4.631 -0.471 1
1 134 . 10 1 1 A 20 20 ASP H H 20 7.350 8.157 -0.807 1
1 135 . 10 1 1 A 20 20 ASP HA H 20 4.880 4.927 -0.047 1
1 138 . 10 1 1 A 21 21 VAL H H 21 7.350 8.337 -0.987 1
1 139 . 10 1 1 A 21 21 VAL HA H 21 4.250 3.778 0.472 1
1 147 . 10 1 1 A 22 22 ARG H H 22 8.310 7.540 0.770 1
1 148 . 10 1 1 A 22 22 ARG HA H 22 4.710 4.127 0.583 1
1 156 . 10 1 1 A 23 23 GLN H H 23 7.820 7.921 -0.101 1
1 157 . 10 1 1 A 23 23 GLN HA H 23 3.920 4.011 -0.091 1
1 164 . 10 1 1 A 24 24 ARG H H 24 8.520 8.298 0.222 1
1 165 . 10 1 1 A 24 24 ARG HA H 24 3.860 3.995 -0.135 1
1 173 . 10 1 1 A 25 25 LEU H H 25 7.830 8.646 -0.816 1
1 174 . 10 1 1 A 25 25 LEU HA H 25 4.130 4.108 0.022 1
1 184 . 10 1 1 A 26 26 MET H H 26 8.490 7.425 1.065 1
1 185 . 10 1 1 A 26 26 MET HA H 26 4.460 3.918 0.542 1
1 193 . 10 1 1 A 27 27 LYS H H 27 8.930 7.247 1.683 1
1 194 . 10 1 1 A 27 27 LYS HA H 27 4.010 3.106 0.904 1
1 206 . 10 1 1 A 28 28 ARG H H 28 7.150 7.831 -0.681 1
1 207 . 10 1 1 A 28 28 ARG HA H 28 4.290 4.291 -0.001 1
1 215 . 10 1 1 A 29 29 LEU H H 29 8.490 7.902 0.588 1
1 216 . 10 1 1 A 29 29 LEU HA H 29 4.600 4.118 0.482 1
1 226 . 10 1 1 A 30 30 CYS H H 30 8.930 8.053 0.877 1
1 227 . 10 1 1 A 30 30 CYS HA H 30 5.850 5.122 0.728 1
1 230 . 10 1 1 A 31 31 PRO HA H 31 4.240 4.434 -0.194 1
1 237 . 10 1 1 A 32 32 ARG H H 32 7.110 8.145 -1.035 1
1 238 . 10 1 1 A 32 32 ARG HA H 32 4.190 4.188 0.002 1
1 246 . 10 1 1 A 33 33 SER H H 33 10.230 8.172 2.058 1
1 247 . 10 1 1 A 33 33 SER HA H 33 4.120 4.095 0.025 1
1 250 . 10 1 1 A 34 34 CYS H H 34 6.950 8.016 -1.066 1
1 251 . 10 1 1 A 34 34 CYS HA H 34 4.570 4.726 -0.156 1
1 254 . 10 1 1 A 35 35 ASP H H 35 7.740 8.210 -0.470 1
1 255 . 10 1 1 A 35 35 ASP HA H 35 4.490 4.369 0.121 1
1 258 . 10 1 1 A 36 36 PHE H H 36 9.020 8.130 0.890 1
1 259 . 10 1 1 A 36 36 PHE HA H 36 5.290 4.237 1.053 1
1 8 . 11 1 1 A 2 2 GLY H H 2 8.690 8.118 0.572 1
1 9 . 11 1 1 A 2 2 GLY HA2 H 2 3.900 3.879 0.021 1
1 10 . 11 1 1 A 2 2 GLY HA3 H 2 3.900 3.894 0.006 1
1 11 . 11 1 1 A 3 3 CYS H H 3 8.700 8.920 -0.220 1
1 12 . 11 1 1 A 3 3 CYS HA H 3 4.710 5.429 -0.719 1
1 15 . 11 1 1 A 4 4 LEU H H 4 8.100 8.846 -0.746 1
1 16 . 11 1 1 A 4 4 LEU HA H 4 4.710 4.905 -0.195 1
1 26 . 11 1 1 A 5 5 ASP H H 5 8.720 8.563 0.157 1
1 27 . 11 1 1 A 5 5 ASP HA H 5 5.070 4.955 0.115 1
1 30 . 11 1 1 A 6 6 ARG H H 6 9.520 8.959 0.561 1
1 31 . 11 1 1 A 6 6 ARG HA H 6 4.360 4.761 -0.401 1
1 39 . 11 1 1 A 7 7 ILE H H 7 7.030 7.543 -0.513 1
1 40 . 11 1 1 A 7 7 ILE HA H 7 4.730 4.544 0.186 1
1 50 . 11 1 1 A 8 8 PHE H H 8 8.590 8.841 -0.251 1
1 51 . 11 1 1 A 8 8 PHE HA H 8 4.340 4.658 -0.318 1
1 58 . 11 1 1 A 9 9 VAL H H 9 6.820 7.539 -0.719 1
1 59 . 11 1 1 A 9 9 VAL HA H 9 3.850 4.102 -0.252 1
1 67 . 11 1 1 A 10 10 CYS H H 10 7.100 7.736 -0.636 1
1 68 . 11 1 1 A 10 10 CYS HA H 10 4.190 4.468 -0.278 1
1 71 . 11 1 1 A 11 11 THR H H 11 7.770 8.180 -0.410 1
1 72 . 11 1 1 A 11 11 THR HA H 11 3.860 3.934 -0.074 1
1 77 . 11 1 1 A 12 12 SER H H 12 7.730 8.094 -0.364 1
1 78 . 11 1 1 A 12 12 SER HA H 12 4.150 3.929 0.221 1
1 81 . 11 1 1 A 13 13 TRP H H 13 8.490 7.640 0.850 1
1 82 . 11 1 1 A 13 13 TRP HA H 13 3.980 4.353 -0.373 1
1 91 . 11 1 1 A 14 14 ALA H H 14 8.850 8.411 0.439 1
1 92 . 11 1 1 A 14 14 ALA HA H 14 4.270 4.243 0.027 1
1 96 . 11 1 1 A 15 15 ARG H H 15 7.900 7.831 0.069 1
1 97 . 11 1 1 A 15 15 ARG HA H 15 4.190 4.276 -0.086 1
1 105 . 11 1 1 A 16 16 LYS H H 16 7.490 7.951 -0.461 1
1 106 . 11 1 1 A 16 16 LYS HA H 16 4.330 4.553 -0.223 1
1 118 . 11 1 1 A 17 17 GLY H H 17 7.610 8.079 -0.469 1
1 119 . 11 1 1 A 17 17 GLY HA2 H 17 4.480 4.058 0.422 1
1 120 . 11 1 1 A 17 17 GLY HA3 H 17 4.150 4.062 0.088 1
1 121 . 11 1 1 A 18 18 PHE H H 18 8.080 8.097 -0.017 1
1 122 . 11 1 1 A 18 18 PHE HA H 18 4.380 4.298 0.082 1
1 130 . 11 1 1 A 19 19 CYS H H 19 9.520 8.167 1.353 1
1 131 . 11 1 1 A 19 19 CYS HA H 19 4.160 4.961 -0.801 1
1 134 . 11 1 1 A 20 20 ASP H H 20 7.350 7.974 -0.624 1
1 135 . 11 1 1 A 20 20 ASP HA H 20 4.880 4.740 0.140 1
1 138 . 11 1 1 A 21 21 VAL H H 21 7.350 7.885 -0.535 1
1 139 . 11 1 1 A 21 21 VAL HA H 21 4.250 3.796 0.454 1
1 147 . 11 1 1 A 22 22 ARG H H 22 8.310 7.754 0.556 1
1 148 . 11 1 1 A 22 22 ARG HA H 22 4.710 4.155 0.555 1
1 156 . 11 1 1 A 23 23 GLN H H 23 7.820 7.977 -0.157 1
1 157 . 11 1 1 A 23 23 GLN HA H 23 3.920 4.462 -0.542 1
1 164 . 11 1 1 A 24 24 ARG H H 24 8.520 8.397 0.123 1
1 165 . 11 1 1 A 24 24 ARG HA H 24 3.860 4.056 -0.196 1
1 173 . 11 1 1 A 25 25 LEU H H 25 7.830 9.057 -1.227 1
1 174 . 11 1 1 A 25 25 LEU HA H 25 4.130 4.159 -0.029 1
1 184 . 11 1 1 A 26 26 MET H H 26 8.490 7.249 1.241 1
1 185 . 11 1 1 A 26 26 MET HA H 26 4.460 4.442 0.018 1
1 193 . 11 1 1 A 27 27 LYS H H 27 8.930 7.908 1.022 1
1 194 . 11 1 1 A 27 27 LYS HA H 27 4.010 4.032 -0.022 1
1 206 . 11 1 1 A 28 28 ARG H H 28 7.150 7.916 -0.766 1
1 207 . 11 1 1 A 28 28 ARG HA H 28 4.290 4.455 -0.165 1
1 215 . 11 1 1 A 29 29 LEU H H 29 8.490 7.764 0.726 1
1 216 . 11 1 1 A 29 29 LEU HA H 29 4.600 4.505 0.095 1
1 226 . 11 1 1 A 30 30 CYS H H 30 8.930 7.823 1.107 1
1 227 . 11 1 1 A 30 30 CYS HA H 30 5.850 5.153 0.697 1
1 230 . 11 1 1 A 31 31 PRO HA H 31 4.240 4.529 -0.289 1
1 237 . 11 1 1 A 32 32 ARG H H 32 7.110 8.249 -1.139 1
1 238 . 11 1 1 A 32 32 ARG HA H 32 4.190 4.189 0.001 1
1 246 . 11 1 1 A 33 33 SER H H 33 10.230 8.281 1.949 1
1 247 . 11 1 1 A 33 33 SER HA H 33 4.120 4.215 -0.095 1
1 250 . 11 1 1 A 34 34 CYS H H 34 6.950 7.847 -0.897 1
1 251 . 11 1 1 A 34 34 CYS HA H 34 4.570 4.800 -0.230 1
1 254 . 11 1 1 A 35 35 ASP H H 35 7.740 8.232 -0.492 1
1 255 . 11 1 1 A 35 35 ASP HA H 35 4.490 4.433 0.057 1
1 258 . 11 1 1 A 36 36 PHE H H 36 9.020 8.016 1.004 1
1 259 . 11 1 1 A 36 36 PHE HA H 36 5.290 4.246 1.044 1
1 8 . 12 1 1 A 2 2 GLY H H 2 8.690 8.338 0.352 1
1 9 . 12 1 1 A 2 2 GLY HA2 H 2 3.900 3.942 -0.042 1
1 10 . 12 1 1 A 2 2 GLY HA3 H 2 3.900 3.943 -0.043 1
1 11 . 12 1 1 A 3 3 CYS H H 3 8.700 7.976 0.724 1
1 12 . 12 1 1 A 3 3 CYS HA H 3 4.710 4.794 -0.084 1
1 15 . 12 1 1 A 4 4 LEU H H 4 8.100 8.259 -0.159 1
1 16 . 12 1 1 A 4 4 LEU HA H 4 4.710 4.876 -0.166 1
1 26 . 12 1 1 A 5 5 ASP H H 5 8.720 8.537 0.183 1
1 27 . 12 1 1 A 5 5 ASP HA H 5 5.070 4.917 0.153 1
1 30 . 12 1 1 A 6 6 ARG H H 6 9.520 9.065 0.455 1
1 31 . 12 1 1 A 6 6 ARG HA H 6 4.360 4.554 -0.194 1
1 39 . 12 1 1 A 7 7 ILE H H 7 7.030 7.602 -0.572 1
1 40 . 12 1 1 A 7 7 ILE HA H 7 4.730 4.460 0.270 1
1 50 . 12 1 1 A 8 8 PHE H H 8 8.590 8.030 0.560 1
1 51 . 12 1 1 A 8 8 PHE HA H 8 4.340 4.803 -0.463 1
1 58 . 12 1 1 A 9 9 VAL H H 9 6.820 7.187 -0.367 1
1 59 . 12 1 1 A 9 9 VAL HA H 9 3.850 4.061 -0.211 1
1 67 . 12 1 1 A 10 10 CYS H H 10 7.100 7.749 -0.649 1
1 68 . 12 1 1 A 10 10 CYS HA H 10 4.190 4.320 -0.130 1
1 71 . 12 1 1 A 11 11 THR H H 11 7.770 7.990 -0.220 1
1 72 . 12 1 1 A 11 11 THR HA H 11 3.860 3.892 -0.032 1
1 77 . 12 1 1 A 12 12 SER H H 12 7.730 8.073 -0.343 1
1 78 . 12 1 1 A 12 12 SER HA H 12 4.150 4.130 0.020 1
1 81 . 12 1 1 A 13 13 TRP H H 13 8.490 7.363 1.127 1
1 82 . 12 1 1 A 13 13 TRP HA H 13 3.980 4.392 -0.412 1
1 91 . 12 1 1 A 14 14 ALA H H 14 8.850 8.643 0.207 1
1 92 . 12 1 1 A 14 14 ALA HA H 14 4.270 4.302 -0.032 1
1 96 . 12 1 1 A 15 15 ARG H H 15 7.900 7.824 0.076 1
1 97 . 12 1 1 A 15 15 ARG HA H 15 4.190 4.273 -0.083 1
1 105 . 12 1 1 A 16 16 LYS H H 16 7.490 7.939 -0.449 1
1 106 . 12 1 1 A 16 16 LYS HA H 16 4.330 4.538 -0.208 1
1 118 . 12 1 1 A 17 17 GLY H H 17 7.610 7.736 -0.126 1
1 119 . 12 1 1 A 17 17 GLY HA2 H 17 4.480 4.085 0.395 1
1 120 . 12 1 1 A 17 17 GLY HA3 H 17 4.150 4.099 0.051 1
1 121 . 12 1 1 A 18 18 PHE H H 18 8.080 8.142 -0.062 1
1 122 . 12 1 1 A 18 18 PHE HA H 18 4.380 4.109 0.271 1
1 130 . 12 1 1 A 19 19 CYS H H 19 9.520 8.286 1.234 1
1 131 . 12 1 1 A 19 19 CYS HA H 19 4.160 4.665 -0.505 1
1 134 . 12 1 1 A 20 20 ASP H H 20 7.350 9.008 -1.658 1
1 135 . 12 1 1 A 20 20 ASP HA H 20 4.880 4.964 -0.084 1
1 138 . 12 1 1 A 21 21 VAL H H 21 7.350 8.894 -1.544 1
1 139 . 12 1 1 A 21 21 VAL HA H 21 4.250 3.829 0.421 1
1 147 . 12 1 1 A 22 22 ARG H H 22 8.310 7.752 0.558 1
1 148 . 12 1 1 A 22 22 ARG HA H 22 4.710 4.180 0.530 1
1 156 . 12 1 1 A 23 23 GLN H H 23 7.820 7.704 0.116 1
1 157 . 12 1 1 A 23 23 GLN HA H 23 3.920 4.219 -0.299 1
1 164 . 12 1 1 A 24 24 ARG H H 24 8.520 8.408 0.112 1
1 165 . 12 1 1 A 24 24 ARG HA H 24 3.860 4.098 -0.238 1
1 173 . 12 1 1 A 25 25 LEU H H 25 7.830 8.838 -1.008 1
1 174 . 12 1 1 A 25 25 LEU HA H 25 4.130 4.140 -0.010 1
1 184 . 12 1 1 A 26 26 MET H H 26 8.490 8.033 0.457 1
1 185 . 12 1 1 A 26 26 MET HA H 26 4.460 4.272 0.188 1
1 193 . 12 1 1 A 27 27 LYS H H 27 8.930 7.171 1.759 1
1 194 . 12 1 1 A 27 27 LYS HA H 27 4.010 3.046 0.964 1
1 206 . 12 1 1 A 28 28 ARG H H 28 7.150 7.525 -0.375 1
1 207 . 12 1 1 A 28 28 ARG HA H 28 4.290 4.371 -0.081 1
1 215 . 12 1 1 A 29 29 LEU H H 29 8.490 7.176 1.314 1
1 216 . 12 1 1 A 29 29 LEU HA H 29 4.600 4.177 0.423 1
1 226 . 12 1 1 A 30 30 CYS H H 30 8.930 8.636 0.294 1
1 227 . 12 1 1 A 30 30 CYS HA H 30 5.850 5.170 0.680 1
1 230 . 12 1 1 A 31 31 PRO HA H 31 4.240 4.937 -0.697 1
1 237 . 12 1 1 A 32 32 ARG H H 32 7.110 8.592 -1.482 1
1 238 . 12 1 1 A 32 32 ARG HA H 32 4.190 4.218 -0.028 1
1 246 . 12 1 1 A 33 33 SER H H 33 10.230 8.099 2.131 1
1 247 . 12 1 1 A 33 33 SER HA H 33 4.120 4.218 -0.098 1
1 250 . 12 1 1 A 34 34 CYS H H 34 6.950 7.825 -0.875 1
1 251 . 12 1 1 A 34 34 CYS HA H 34 4.570 4.625 -0.055 1
1 254 . 12 1 1 A 35 35 ASP H H 35 7.740 8.285 -0.545 1
1 255 . 12 1 1 A 35 35 ASP HA H 35 4.490 4.881 -0.391 1
1 258 . 12 1 1 A 36 36 PHE H H 36 9.020 8.208 0.812 1
1 259 . 12 1 1 A 36 36 PHE HA H 36 5.290 4.424 0.866 1
1 8 . 13 1 1 A 2 2 GLY H H 2 8.690 7.152 1.538 1
1 9 . 13 1 1 A 2 2 GLY HA2 H 2 3.900 3.438 0.462 1
1 10 . 13 1 1 A 2 2 GLY HA3 H 2 3.900 3.492 0.408 1
1 11 . 13 1 1 A 3 3 CYS H H 3 8.700 8.796 -0.096 1
1 12 . 13 1 1 A 3 3 CYS HA H 3 4.710 5.582 -0.872 1
1 15 . 13 1 1 A 4 4 LEU H H 4 8.100 8.721 -0.621 1
1 16 . 13 1 1 A 4 4 LEU HA H 4 4.710 4.787 -0.077 1
1 26 . 13 1 1 A 5 5 ASP H H 5 8.720 8.721 -0.001 1
1 27 . 13 1 1 A 5 5 ASP HA H 5 5.070 4.939 0.131 1
1 30 . 13 1 1 A 6 6 ARG H H 6 9.520 8.905 0.615 1
1 31 . 13 1 1 A 6 6 ARG HA H 6 4.360 4.426 -0.066 1
1 39 . 13 1 1 A 7 7 ILE H H 7 7.030 7.297 -0.267 1
1 40 . 13 1 1 A 7 7 ILE HA H 7 4.730 4.733 -0.003 1
1 50 . 13 1 1 A 8 8 PHE H H 8 8.590 8.513 0.077 1
1 51 . 13 1 1 A 8 8 PHE HA H 8 4.340 4.785 -0.445 1
1 58 . 13 1 1 A 9 9 VAL H H 9 6.820 7.371 -0.551 1
1 59 . 13 1 1 A 9 9 VAL HA H 9 3.850 3.333 0.517 1
1 67 . 13 1 1 A 10 10 CYS H H 10 7.100 7.579 -0.479 1
1 68 . 13 1 1 A 10 10 CYS HA H 10 4.190 4.106 0.084 1
1 71 . 13 1 1 A 11 11 THR H H 11 7.770 7.622 0.148 1
1 72 . 13 1 1 A 11 11 THR HA H 11 3.860 3.890 -0.030 1
1 77 . 13 1 1 A 12 12 SER H H 12 7.730 7.790 -0.060 1
1 78 . 13 1 1 A 12 12 SER HA H 12 4.150 4.099 0.051 1
1 81 . 13 1 1 A 13 13 TRP H H 13 8.490 7.295 1.195 1
1 82 . 13 1 1 A 13 13 TRP HA H 13 3.980 4.561 -0.581 1
1 91 . 13 1 1 A 14 14 ALA H H 14 8.850 8.454 0.396 1
1 92 . 13 1 1 A 14 14 ALA HA H 14 4.270 4.315 -0.045 1
1 96 . 13 1 1 A 15 15 ARG H H 15 7.900 7.743 0.157 1
1 97 . 13 1 1 A 15 15 ARG HA H 15 4.190 4.247 -0.057 1
1 105 . 13 1 1 A 16 16 LYS H H 16 7.490 8.119 -0.629 1
1 106 . 13 1 1 A 16 16 LYS HA H 16 4.330 4.555 -0.225 1
1 118 . 13 1 1 A 17 17 GLY H H 17 7.610 8.007 -0.397 1
1 119 . 13 1 1 A 17 17 GLY HA2 H 17 4.480 4.030 0.450 1
1 120 . 13 1 1 A 17 17 GLY HA3 H 17 4.150 4.059 0.091 1
1 121 . 13 1 1 A 18 18 PHE H H 18 8.080 7.951 0.129 1
1 122 . 13 1 1 A 18 18 PHE HA H 18 4.380 4.147 0.233 1
1 130 . 13 1 1 A 19 19 CYS H H 19 9.520 7.911 1.609 1
1 131 . 13 1 1 A 19 19 CYS HA H 19 4.160 5.137 -0.977 1
1 134 . 13 1 1 A 20 20 ASP H H 20 7.350 8.133 -0.783 1
1 135 . 13 1 1 A 20 20 ASP HA H 20 4.880 4.857 0.023 1
1 138 . 13 1 1 A 21 21 VAL H H 21 7.350 7.600 -0.250 1
1 139 . 13 1 1 A 21 21 VAL HA H 21 4.250 4.210 0.040 1
1 147 . 13 1 1 A 22 22 ARG H H 22 8.310 7.480 0.830 1
1 148 . 13 1 1 A 22 22 ARG HA H 22 4.710 4.096 0.614 1
1 156 . 13 1 1 A 23 23 GLN H H 23 7.820 8.141 -0.321 1
1 157 . 13 1 1 A 23 23 GLN HA H 23 3.920 4.338 -0.418 1
1 164 . 13 1 1 A 24 24 ARG H H 24 8.520 8.292 0.228 1
1 165 . 13 1 1 A 24 24 ARG HA H 24 3.860 4.046 -0.186 1
1 173 . 13 1 1 A 25 25 LEU H H 25 7.830 8.785 -0.955 1
1 174 . 13 1 1 A 25 25 LEU HA H 25 4.130 4.331 -0.201 1
1 184 . 13 1 1 A 26 26 MET H H 26 8.490 8.627 -0.137 1
1 185 . 13 1 1 A 26 26 MET HA H 26 4.460 4.107 0.353 1
1 193 . 13 1 1 A 27 27 LYS H H 27 8.930 8.346 0.584 1
1 194 . 13 1 1 A 27 27 LYS HA H 27 4.010 4.421 -0.411 1
1 206 . 13 1 1 A 28 28 ARG H H 28 7.150 9.209 -2.059 1
1 207 . 13 1 1 A 28 28 ARG HA H 28 4.290 4.505 -0.215 1
1 215 . 13 1 1 A 29 29 LEU H H 29 8.490 7.392 1.098 1
1 216 . 13 1 1 A 29 29 LEU HA H 29 4.600 4.619 -0.019 1
1 226 . 13 1 1 A 30 30 CYS H H 30 8.930 8.488 0.442 1
1 227 . 13 1 1 A 30 30 CYS HA H 30 5.850 5.178 0.672 1
1 230 . 13 1 1 A 31 31 PRO HA H 31 4.240 4.347 -0.107 1
1 237 . 13 1 1 A 32 32 ARG H H 32 7.110 8.507 -1.397 1
1 238 . 13 1 1 A 32 32 ARG HA H 32 4.190 4.015 0.175 1
1 246 . 13 1 1 A 33 33 SER H H 33 10.230 8.106 2.124 1
1 247 . 13 1 1 A 33 33 SER HA H 33 4.120 3.985 0.135 1
1 250 . 13 1 1 A 34 34 CYS H H 34 6.950 7.399 -0.449 1
1 251 . 13 1 1 A 34 34 CYS HA H 34 4.570 4.565 0.005 1
1 254 . 13 1 1 A 35 35 ASP H H 35 7.740 7.763 -0.023 1
1 255 . 13 1 1 A 35 35 ASP HA H 35 4.490 4.391 0.099 1
1 258 . 13 1 1 A 36 36 PHE H H 36 9.020 7.657 1.363 1
1 259 . 13 1 1 A 36 36 PHE HA H 36 5.290 4.327 0.963 1
1 8 . 14 1 1 A 2 2 GLY H H 2 8.690 7.582 1.108 1
1 9 . 14 1 1 A 2 2 GLY HA2 H 2 3.900 4.035 -0.135 1
1 10 . 14 1 1 A 2 2 GLY HA3 H 2 3.900 4.046 -0.146 1
1 11 . 14 1 1 A 3 3 CYS H H 3 8.700 8.894 -0.194 1
1 12 . 14 1 1 A 3 3 CYS HA H 3 4.710 5.631 -0.921 1
1 15 . 14 1 1 A 4 4 LEU H H 4 8.100 8.716 -0.616 1
1 16 . 14 1 1 A 4 4 LEU HA H 4 4.710 4.927 -0.217 1
1 26 . 14 1 1 A 5 5 ASP H H 5 8.720 8.615 0.105 1
1 27 . 14 1 1 A 5 5 ASP HA H 5 5.070 5.333 -0.263 1
1 30 . 14 1 1 A 6 6 ARG H H 6 9.520 8.678 0.842 1
1 31 . 14 1 1 A 6 6 ARG HA H 6 4.360 4.521 -0.161 1
1 39 . 14 1 1 A 7 7 ILE H H 7 7.030 7.537 -0.507 1
1 40 . 14 1 1 A 7 7 ILE HA H 7 4.730 4.562 0.168 1
1 50 . 14 1 1 A 8 8 PHE H H 8 8.590 8.557 0.033 1
1 51 . 14 1 1 A 8 8 PHE HA H 8 4.340 4.502 -0.162 1
1 58 . 14 1 1 A 9 9 VAL H H 9 6.820 7.152 -0.332 1
1 59 . 14 1 1 A 9 9 VAL HA H 9 3.850 2.969 0.881 1
1 67 . 14 1 1 A 10 10 CYS H H 10 7.100 7.442 -0.342 1
1 68 . 14 1 1 A 10 10 CYS HA H 10 4.190 4.165 0.025 1
1 71 . 14 1 1 A 11 11 THR H H 11 7.770 8.138 -0.368 1
1 72 . 14 1 1 A 11 11 THR HA H 11 3.860 3.875 -0.015 1
1 77 . 14 1 1 A 12 12 SER H H 12 7.730 8.070 -0.340 1
1 78 . 14 1 1 A 12 12 SER HA H 12 4.150 4.193 -0.043 1
1 81 . 14 1 1 A 13 13 TRP H H 13 8.490 7.367 1.123 1
1 82 . 14 1 1 A 13 13 TRP HA H 13 3.980 4.392 -0.412 1
1 91 . 14 1 1 A 14 14 ALA H H 14 8.850 8.367 0.483 1
1 92 . 14 1 1 A 14 14 ALA HA H 14 4.270 4.366 -0.096 1
1 96 . 14 1 1 A 15 15 ARG H H 15 7.900 7.575 0.325 1
1 97 . 14 1 1 A 15 15 ARG HA H 15 4.190 4.231 -0.041 1
1 105 . 14 1 1 A 16 16 LYS H H 16 7.490 8.097 -0.607 1
1 106 . 14 1 1 A 16 16 LYS HA H 16 4.330 4.581 -0.251 1
1 118 . 14 1 1 A 17 17 GLY H H 17 7.610 8.115 -0.505 1
1 119 . 14 1 1 A 17 17 GLY HA2 H 17 4.480 4.106 0.374 1
1 120 . 14 1 1 A 17 17 GLY HA3 H 17 4.150 4.130 0.020 1
1 121 . 14 1 1 A 18 18 PHE H H 18 8.080 8.062 0.018 1
1 122 . 14 1 1 A 18 18 PHE HA H 18 4.380 4.137 0.243 1
1 130 . 14 1 1 A 19 19 CYS H H 19 9.520 8.228 1.292 1
1 131 . 14 1 1 A 19 19 CYS HA H 19 4.160 4.839 -0.679 1
1 134 . 14 1 1 A 20 20 ASP H H 20 7.350 7.568 -0.218 1
1 135 . 14 1 1 A 20 20 ASP HA H 20 4.880 4.703 0.177 1
1 138 . 14 1 1 A 21 21 VAL H H 21 7.350 7.368 -0.018 1
1 139 . 14 1 1 A 21 21 VAL HA H 21 4.250 3.762 0.488 1
1 147 . 14 1 1 A 22 22 ARG H H 22 8.310 7.532 0.778 1
1 148 . 14 1 1 A 22 22 ARG HA H 22 4.710 4.133 0.577 1
1 156 . 14 1 1 A 23 23 GLN H H 23 7.820 7.843 -0.023 1
1 157 . 14 1 1 A 23 23 GLN HA H 23 3.920 4.312 -0.392 1
1 164 . 14 1 1 A 24 24 ARG H H 24 8.520 8.286 0.234 1
1 165 . 14 1 1 A 24 24 ARG HA H 24 3.860 4.096 -0.236 1
1 173 . 14 1 1 A 25 25 LEU H H 25 7.830 8.958 -1.128 1
1 174 . 14 1 1 A 25 25 LEU HA H 25 4.130 3.998 0.132 1
1 184 . 14 1 1 A 26 26 MET H H 26 8.490 8.301 0.189 1
1 185 . 14 1 1 A 26 26 MET HA H 26 4.460 4.020 0.440 1
1 193 . 14 1 1 A 27 27 LYS H H 27 8.930 7.864 1.066 1
1 194 . 14 1 1 A 27 27 LYS HA H 27 4.010 3.664 0.346 1
1 206 . 14 1 1 A 28 28 ARG H H 28 7.150 7.875 -0.725 1
1 207 . 14 1 1 A 28 28 ARG HA H 28 4.290 4.212 0.078 1
1 215 . 14 1 1 A 29 29 LEU H H 29 8.490 7.289 1.201 1
1 216 . 14 1 1 A 29 29 LEU HA H 29 4.600 4.048 0.552 1
1 226 . 14 1 1 A 30 30 CYS H H 30 8.930 7.823 1.107 1
1 227 . 14 1 1 A 30 30 CYS HA H 30 5.850 4.877 0.973 1
1 230 . 14 1 1 A 31 31 PRO HA H 31 4.240 4.295 -0.055 1
1 237 . 14 1 1 A 32 32 ARG H H 32 7.110 8.224 -1.114 1
1 238 . 14 1 1 A 32 32 ARG HA H 32 4.190 4.473 -0.283 1
1 246 . 14 1 1 A 33 33 SER H H 33 10.230 7.982 2.248 1
1 247 . 14 1 1 A 33 33 SER HA H 33 4.120 4.363 -0.243 1
1 250 . 14 1 1 A 34 34 CYS H H 34 6.950 8.032 -1.082 1
1 251 . 14 1 1 A 34 34 CYS HA H 34 4.570 4.775 -0.205 1
1 254 . 14 1 1 A 35 35 ASP H H 35 7.740 8.345 -0.605 1
1 255 . 14 1 1 A 35 35 ASP HA H 35 4.490 4.481 0.009 1
1 258 . 14 1 1 A 36 36 PHE H H 36 9.020 8.280 0.740 1
1 259 . 14 1 1 A 36 36 PHE HA H 36 5.290 4.231 1.059 1
1 8 . 15 1 1 A 2 2 GLY H H 2 8.690 8.162 0.528 1
1 9 . 15 1 1 A 2 2 GLY HA2 H 2 3.900 3.951 -0.051 1
1 10 . 15 1 1 A 2 2 GLY HA3 H 2 3.900 3.999 -0.099 1
1 11 . 15 1 1 A 3 3 CYS H H 3 8.700 7.901 0.799 1
1 12 . 15 1 1 A 3 3 CYS HA H 3 4.710 4.871 -0.161 1
1 15 . 15 1 1 A 4 4 LEU H H 4 8.100 7.611 0.489 1
1 16 . 15 1 1 A 4 4 LEU HA H 4 4.710 5.196 -0.486 1
1 26 . 15 1 1 A 5 5 ASP H H 5 8.720 8.811 -0.091 1
1 27 . 15 1 1 A 5 5 ASP HA H 5 5.070 5.255 -0.185 1
1 30 . 15 1 1 A 6 6 ARG H H 6 9.520 9.612 -0.092 1
1 31 . 15 1 1 A 6 6 ARG HA H 6 4.360 4.506 -0.146 1
1 39 . 15 1 1 A 7 7 ILE H H 7 7.030 7.655 -0.625 1
1 40 . 15 1 1 A 7 7 ILE HA H 7 4.730 4.754 -0.024 1
1 50 . 15 1 1 A 8 8 PHE H H 8 8.590 8.663 -0.073 1
1 51 . 15 1 1 A 8 8 PHE HA H 8 4.340 4.770 -0.430 1
1 58 . 15 1 1 A 9 9 VAL H H 9 6.820 7.508 -0.688 1
1 59 . 15 1 1 A 9 9 VAL HA H 9 3.850 4.310 -0.460 1
1 67 . 15 1 1 A 10 10 CYS H H 10 7.100 7.777 -0.677 1
1 68 . 15 1 1 A 10 10 CYS HA H 10 4.190 4.463 -0.273 1
1 71 . 15 1 1 A 11 11 THR H H 11 7.770 7.542 0.228 1
1 72 . 15 1 1 A 11 11 THR HA H 11 3.860 4.092 -0.232 1
1 77 . 15 1 1 A 12 12 SER H H 12 7.730 8.103 -0.373 1
1 78 . 15 1 1 A 12 12 SER HA H 12 4.150 4.175 -0.025 1
1 81 . 15 1 1 A 13 13 TRP H H 13 8.490 8.017 0.473 1
1 82 . 15 1 1 A 13 13 TRP HA H 13 3.980 4.315 -0.335 1
1 91 . 15 1 1 A 14 14 ALA H H 14 8.850 8.260 0.590 1
1 92 . 15 1 1 A 14 14 ALA HA H 14 4.270 4.339 -0.069 1
1 96 . 15 1 1 A 15 15 ARG H H 15 7.900 7.893 0.007 1
1 97 . 15 1 1 A 15 15 ARG HA H 15 4.190 4.181 0.009 1
1 105 . 15 1 1 A 16 16 LYS H H 16 7.490 7.646 -0.156 1
1 106 . 15 1 1 A 16 16 LYS HA H 16 4.330 4.516 -0.186 1
1 118 . 15 1 1 A 17 17 GLY H H 17 7.610 7.633 -0.023 1
1 119 . 15 1 1 A 17 17 GLY HA2 H 17 4.480 4.125 0.355 1
1 120 . 15 1 1 A 17 17 GLY HA3 H 17 4.150 4.126 0.024 1
1 121 . 15 1 1 A 18 18 PHE H H 18 8.080 8.195 -0.115 1
1 122 . 15 1 1 A 18 18 PHE HA H 18 4.380 4.127 0.253 1
1 130 . 15 1 1 A 19 19 CYS H H 19 9.520 8.172 1.348 1
1 131 . 15 1 1 A 19 19 CYS HA H 19 4.160 4.509 -0.349 1
1 134 . 15 1 1 A 20 20 ASP H H 20 7.350 7.967 -0.617 1
1 135 . 15 1 1 A 20 20 ASP HA H 20 4.880 4.868 0.012 1
1 138 . 15 1 1 A 21 21 VAL H H 21 7.350 7.994 -0.644 1
1 139 . 15 1 1 A 21 21 VAL HA H 21 4.250 3.777 0.473 1
1 147 . 15 1 1 A 22 22 ARG H H 22 8.310 7.356 0.954 1
1 148 . 15 1 1 A 22 22 ARG HA H 22 4.710 4.232 0.478 1
1 156 . 15 1 1 A 23 23 GLN H H 23 7.820 7.995 -0.175 1
1 157 . 15 1 1 A 23 23 GLN HA H 23 3.920 4.031 -0.111 1
1 164 . 15 1 1 A 24 24 ARG H H 24 8.520 8.020 0.500 1
1 165 . 15 1 1 A 24 24 ARG HA H 24 3.860 3.919 -0.059 1
1 173 . 15 1 1 A 25 25 LEU H H 25 7.830 8.559 -0.729 1
1 174 . 15 1 1 A 25 25 LEU HA H 25 4.130 4.153 -0.023 1
1 184 . 15 1 1 A 26 26 MET H H 26 8.490 7.961 0.529 1
1 185 . 15 1 1 A 26 26 MET HA H 26 4.460 4.067 0.393 1
1 193 . 15 1 1 A 27 27 LYS H H 27 8.930 7.526 1.404 1
1 194 . 15 1 1 A 27 27 LYS HA H 27 4.010 3.521 0.489 1
1 206 . 15 1 1 A 28 28 ARG H H 28 7.150 8.777 -1.627 1
1 207 . 15 1 1 A 28 28 ARG HA H 28 4.290 4.319 -0.029 1
1 215 . 15 1 1 A 29 29 LEU H H 29 8.490 8.357 0.133 1
1 216 . 15 1 1 A 29 29 LEU HA H 29 4.600 4.351 0.249 1
1 226 . 15 1 1 A 30 30 CYS H H 30 8.930 7.983 0.947 1
1 227 . 15 1 1 A 30 30 CYS HA H 30 5.850 5.222 0.628 1
1 230 . 15 1 1 A 31 31 PRO HA H 31 4.240 4.799 -0.559 1
1 237 . 15 1 1 A 32 32 ARG H H 32 7.110 8.167 -1.057 1
1 238 . 15 1 1 A 32 32 ARG HA H 32 4.190 4.087 0.103 1
1 246 . 15 1 1 A 33 33 SER H H 33 10.230 8.324 1.906 1
1 247 . 15 1 1 A 33 33 SER HA H 33 4.120 4.026 0.094 1
1 250 . 15 1 1 A 34 34 CYS H H 34 6.950 7.452 -0.502 1
1 251 . 15 1 1 A 34 34 CYS HA H 34 4.570 4.317 0.253 1
1 254 . 15 1 1 A 35 35 ASP H H 35 7.740 7.754 -0.014 1
1 255 . 15 1 1 A 35 35 ASP HA H 35 4.490 4.327 0.163 1
1 258 . 15 1 1 A 36 36 PHE H H 36 9.020 7.454 1.566 1
1 259 . 15 1 1 A 36 36 PHE HA H 36 5.290 4.092 1.198 1
1 8 . 16 1 1 A 2 2 GLY H H 2 8.690 8.956 -0.266 1
1 9 . 16 1 1 A 2 2 GLY HA2 H 2 3.900 4.241 -0.341 1
1 10 . 16 1 1 A 2 2 GLY HA3 H 2 3.900 4.251 -0.351 1
1 11 . 16 1 1 A 3 3 CYS H H 3 8.700 8.816 -0.116 1
1 12 . 16 1 1 A 3 3 CYS HA H 3 4.710 5.273 -0.563 1
1 15 . 16 1 1 A 4 4 LEU H H 4 8.100 8.803 -0.703 1
1 16 . 16 1 1 A 4 4 LEU HA H 4 4.710 5.211 -0.501 1
1 26 . 16 1 1 A 5 5 ASP H H 5 8.720 8.747 -0.027 1
1 27 . 16 1 1 A 5 5 ASP HA H 5 5.070 4.719 0.351 1
1 30 . 16 1 1 A 6 6 ARG H H 6 9.520 8.954 0.566 1
1 31 . 16 1 1 A 6 6 ARG HA H 6 4.360 4.504 -0.144 1
1 39 . 16 1 1 A 7 7 ILE H H 7 7.030 7.414 -0.384 1
1 40 . 16 1 1 A 7 7 ILE HA H 7 4.730 4.411 0.319 1
1 50 . 16 1 1 A 8 8 PHE H H 8 8.590 7.746 0.844 1
1 51 . 16 1 1 A 8 8 PHE HA H 8 4.340 4.590 -0.250 1
1 58 . 16 1 1 A 9 9 VAL H H 9 6.820 7.204 -0.384 1
1 59 . 16 1 1 A 9 9 VAL HA H 9 3.850 3.717 0.133 1
1 67 . 16 1 1 A 10 10 CYS H H 10 7.100 7.683 -0.583 1
1 68 . 16 1 1 A 10 10 CYS HA H 10 4.190 4.201 -0.011 1
1 71 . 16 1 1 A 11 11 THR H H 11 7.770 7.938 -0.168 1
1 72 . 16 1 1 A 11 11 THR HA H 11 3.860 3.886 -0.026 1
1 77 . 16 1 1 A 12 12 SER H H 12 7.730 8.050 -0.320 1
1 78 . 16 1 1 A 12 12 SER HA H 12 4.150 4.163 -0.013 1
1 81 . 16 1 1 A 13 13 TRP H H 13 8.490 7.252 1.238 1
1 82 . 16 1 1 A 13 13 TRP HA H 13 3.980 4.888 -0.908 1
1 91 . 16 1 1 A 14 14 ALA H H 14 8.850 9.136 -0.286 1
1 92 . 16 1 1 A 14 14 ALA HA H 14 4.270 4.183 0.087 1
1 96 . 16 1 1 A 15 15 ARG H H 15 7.900 8.157 -0.257 1
1 97 . 16 1 1 A 15 15 ARG HA H 15 4.190 4.268 -0.078 1
1 105 . 16 1 1 A 16 16 LYS H H 16 7.490 9.029 -1.539 1
1 106 . 16 1 1 A 16 16 LYS HA H 16 4.330 4.588 -0.258 1
1 118 . 16 1 1 A 17 17 GLY H H 17 7.610 7.659 -0.049 1
1 119 . 16 1 1 A 17 17 GLY HA2 H 17 4.480 4.045 0.435 1
1 120 . 16 1 1 A 17 17 GLY HA3 H 17 4.150 4.079 0.071 1
1 121 . 16 1 1 A 18 18 PHE H H 18 8.080 7.839 0.241 1
1 122 . 16 1 1 A 18 18 PHE HA H 18 4.380 4.078 0.302 1
1 130 . 16 1 1 A 19 19 CYS H H 19 9.520 8.370 1.150 1
1 131 . 16 1 1 A 19 19 CYS HA H 19 4.160 4.784 -0.624 1
1 134 . 16 1 1 A 20 20 ASP H H 20 7.350 9.101 -1.751 1
1 135 . 16 1 1 A 20 20 ASP HA H 20 4.880 4.906 -0.026 1
1 138 . 16 1 1 A 21 21 VAL H H 21 7.350 7.840 -0.490 1
1 139 . 16 1 1 A 21 21 VAL HA H 21 4.250 3.504 0.746 1
1 147 . 16 1 1 A 22 22 ARG H H 22 8.310 7.523 0.787 1
1 148 . 16 1 1 A 22 22 ARG HA H 22 4.710 4.344 0.366 1
1 156 . 16 1 1 A 23 23 GLN H H 23 7.820 7.998 -0.178 1
1 157 . 16 1 1 A 23 23 GLN HA H 23 3.920 4.017 -0.097 1
1 164 . 16 1 1 A 24 24 ARG H H 24 8.520 8.184 0.336 1
1 165 . 16 1 1 A 24 24 ARG HA H 24 3.860 3.965 -0.105 1
1 173 . 16 1 1 A 25 25 LEU H H 25 7.830 9.206 -1.376 1
1 174 . 16 1 1 A 25 25 LEU HA H 25 4.130 4.232 -0.102 1
1 184 . 16 1 1 A 26 26 MET H H 26 8.490 8.145 0.345 1
1 185 . 16 1 1 A 26 26 MET HA H 26 4.460 4.290 0.170 1
1 193 . 16 1 1 A 27 27 LYS H H 27 8.930 7.623 1.307 1
1 194 . 16 1 1 A 27 27 LYS HA H 27 4.010 3.073 0.937 1
1 206 . 16 1 1 A 28 28 ARG H H 28 7.150 8.042 -0.892 1
1 207 . 16 1 1 A 28 28 ARG HA H 28 4.290 4.421 -0.131 1
1 215 . 16 1 1 A 29 29 LEU H H 29 8.490 7.876 0.614 1
1 216 . 16 1 1 A 29 29 LEU HA H 29 4.600 4.569 0.031 1
1 226 . 16 1 1 A 30 30 CYS H H 30 8.930 8.006 0.924 1
1 227 . 16 1 1 A 30 30 CYS HA H 30 5.850 5.146 0.704 1
1 230 . 16 1 1 A 31 31 PRO HA H 31 4.240 4.537 -0.297 1
1 237 . 16 1 1 A 32 32 ARG H H 32 7.110 8.184 -1.074 1
1 238 . 16 1 1 A 32 32 ARG HA H 32 4.190 4.060 0.130 1
1 246 . 16 1 1 A 33 33 SER H H 33 10.230 7.895 2.335 1
1 247 . 16 1 1 A 33 33 SER HA H 33 4.120 4.108 0.012 1
1 250 . 16 1 1 A 34 34 CYS H H 34 6.950 7.016 -0.066 1
1 251 . 16 1 1 A 34 34 CYS HA H 34 4.570 4.419 0.151 1
1 254 . 16 1 1 A 35 35 ASP H H 35 7.740 7.815 -0.075 1
1 255 . 16 1 1 A 35 35 ASP HA H 35 4.490 4.247 0.243 1
1 258 . 16 1 1 A 36 36 PHE H H 36 9.020 7.521 1.499 1
1 259 . 16 1 1 A 36 36 PHE HA H 36 5.290 4.306 0.984 1
1 8 . 17 1 1 A 2 2 GLY H H 2 8.690 8.576 0.114 1
1 9 . 17 1 1 A 2 2 GLY HA2 H 2 3.900 4.113 -0.213 1
1 10 . 17 1 1 A 2 2 GLY HA3 H 2 3.900 4.141 -0.241 1
1 11 . 17 1 1 A 3 3 CYS H H 3 8.700 8.475 0.225 1
1 12 . 17 1 1 A 3 3 CYS HA H 3 4.710 5.117 -0.407 1
1 15 . 17 1 1 A 4 4 LEU H H 4 8.100 8.743 -0.643 1
1 16 . 17 1 1 A 4 4 LEU HA H 4 4.710 4.858 -0.148 1
1 26 . 17 1 1 A 5 5 ASP H H 5 8.720 8.972 -0.252 1
1 27 . 17 1 1 A 5 5 ASP HA H 5 5.070 4.824 0.246 1
1 30 . 17 1 1 A 6 6 ARG H H 6 9.520 9.687 -0.167 1
1 31 . 17 1 1 A 6 6 ARG HA H 6 4.360 4.463 -0.103 1
1 39 . 17 1 1 A 7 7 ILE H H 7 7.030 7.023 0.007 1
1 40 . 17 1 1 A 7 7 ILE HA H 7 4.730 4.465 0.265 1
1 50 . 17 1 1 A 8 8 PHE H H 8 8.590 8.685 -0.095 1
1 51 . 17 1 1 A 8 8 PHE HA H 8 4.340 4.559 -0.219 1
1 58 . 17 1 1 A 9 9 VAL H H 9 6.820 7.581 -0.761 1
1 59 . 17 1 1 A 9 9 VAL HA H 9 3.850 3.353 0.497 1
1 67 . 17 1 1 A 10 10 CYS H H 10 7.100 8.109 -1.009 1
1 68 . 17 1 1 A 10 10 CYS HA H 10 4.190 4.613 -0.423 1
1 71 . 17 1 1 A 11 11 THR H H 11 7.770 7.898 -0.128 1
1 72 . 17 1 1 A 11 11 THR HA H 11 3.860 3.880 -0.020 1
1 77 . 17 1 1 A 12 12 SER H H 12 7.730 7.908 -0.178 1
1 78 . 17 1 1 A 12 12 SER HA H 12 4.150 4.070 0.080 1
1 81 . 17 1 1 A 13 13 TRP H H 13 8.490 7.537 0.953 1
1 82 . 17 1 1 A 13 13 TRP HA H 13 3.980 4.422 -0.442 1
1 91 . 17 1 1 A 14 14 ALA H H 14 8.850 8.305 0.545 1
1 92 . 17 1 1 A 14 14 ALA HA H 14 4.270 4.159 0.111 1
1 96 . 17 1 1 A 15 15 ARG H H 15 7.900 7.479 0.421 1
1 97 . 17 1 1 A 15 15 ARG HA H 15 4.190 4.120 0.070 1
1 105 . 17 1 1 A 16 16 LYS H H 16 7.490 8.833 -1.343 1
1 106 . 17 1 1 A 16 16 LYS HA H 16 4.330 4.422 -0.092 1
1 118 . 17 1 1 A 17 17 GLY H H 17 7.610 7.844 -0.234 1
1 119 . 17 1 1 A 17 17 GLY HA2 H 17 4.480 4.036 0.444 1
1 120 . 17 1 1 A 17 17 GLY HA3 H 17 4.150 4.061 0.089 1
1 121 . 17 1 1 A 18 18 PHE H H 18 8.080 7.894 0.186 1
1 122 . 17 1 1 A 18 18 PHE HA H 18 4.380 4.400 -0.020 1
1 130 . 17 1 1 A 19 19 CYS H H 19 9.520 8.385 1.135 1
1 131 . 17 1 1 A 19 19 CYS HA H 19 4.160 4.856 -0.696 1
1 134 . 17 1 1 A 20 20 ASP H H 20 7.350 8.949 -1.599 1
1 135 . 17 1 1 A 20 20 ASP HA H 20 4.880 5.018 -0.138 1
1 138 . 17 1 1 A 21 21 VAL H H 21 7.350 8.108 -0.758 1
1 139 . 17 1 1 A 21 21 VAL HA H 21 4.250 3.835 0.415 1
1 147 . 17 1 1 A 22 22 ARG H H 22 8.310 7.391 0.919 1
1 148 . 17 1 1 A 22 22 ARG HA H 22 4.710 4.129 0.581 1
1 156 . 17 1 1 A 23 23 GLN H H 23 7.820 8.350 -0.530 1
1 157 . 17 1 1 A 23 23 GLN HA H 23 3.920 4.413 -0.493 1
1 164 . 17 1 1 A 24 24 ARG H H 24 8.520 7.806 0.714 1
1 165 . 17 1 1 A 24 24 ARG HA H 24 3.860 3.930 -0.070 1
1 173 . 17 1 1 A 25 25 LEU H H 25 7.830 9.007 -1.177 1
1 174 . 17 1 1 A 25 25 LEU HA H 25 4.130 4.261 -0.131 1
1 184 . 17 1 1 A 26 26 MET H H 26 8.490 8.397 0.093 1
1 185 . 17 1 1 A 26 26 MET HA H 26 4.460 4.205 0.255 1
1 193 . 17 1 1 A 27 27 LYS H H 27 8.930 7.696 1.234 1
1 194 . 17 1 1 A 27 27 LYS HA H 27 4.010 3.807 0.203 1
1 206 . 17 1 1 A 28 28 ARG H H 28 7.150 7.981 -0.831 1
1 207 . 17 1 1 A 28 28 ARG HA H 28 4.290 4.355 -0.065 1
1 215 . 17 1 1 A 29 29 LEU H H 29 8.490 7.946 0.544 1
1 216 . 17 1 1 A 29 29 LEU HA H 29 4.600 4.587 0.013 1
1 226 . 17 1 1 A 30 30 CYS H H 30 8.930 8.724 0.206 1
1 227 . 17 1 1 A 30 30 CYS HA H 30 5.850 5.180 0.670 1
1 230 . 17 1 1 A 31 31 PRO HA H 31 4.240 4.704 -0.464 1
1 237 . 17 1 1 A 32 32 ARG H H 32 7.110 8.558 -1.448 1
1 238 . 17 1 1 A 32 32 ARG HA H 32 4.190 4.081 0.109 1
1 246 . 17 1 1 A 33 33 SER H H 33 10.230 7.904 2.326 1
1 247 . 17 1 1 A 33 33 SER HA H 33 4.120 4.111 0.009 1
1 250 . 17 1 1 A 34 34 CYS H H 34 6.950 7.764 -0.814 1
1 251 . 17 1 1 A 34 34 CYS HA H 34 4.570 4.254 0.316 1
1 254 . 17 1 1 A 35 35 ASP H H 35 7.740 7.699 0.041 1
1 255 . 17 1 1 A 35 35 ASP HA H 35 4.490 4.301 0.189 1
1 258 . 17 1 1 A 36 36 PHE H H 36 9.020 7.217 1.803 1
1 259 . 17 1 1 A 36 36 PHE HA H 36 5.290 4.298 0.992 1
1 8 . 18 1 1 A 2 2 GLY H H 2 8.690 8.835 -0.145 1
1 9 . 18 1 1 A 2 2 GLY HA2 H 2 3.900 4.024 -0.124 1
1 10 . 18 1 1 A 2 2 GLY HA3 H 2 3.900 4.028 -0.128 1
1 11 . 18 1 1 A 3 3 CYS H H 3 8.700 8.866 -0.166 1
1 12 . 18 1 1 A 3 3 CYS HA H 3 4.710 4.412 0.298 1
1 15 . 18 1 1 A 4 4 LEU H H 4 8.100 7.611 0.489 1
1 16 . 18 1 1 A 4 4 LEU HA H 4 4.710 4.923 -0.213 1
1 26 . 18 1 1 A 5 5 ASP H H 5 8.720 8.648 0.072 1
1 27 . 18 1 1 A 5 5 ASP HA H 5 5.070 5.528 -0.458 1
1 30 . 18 1 1 A 6 6 ARG H H 6 9.520 8.340 1.180 1
1 31 . 18 1 1 A 6 6 ARG HA H 6 4.360 4.806 -0.446 1
1 39 . 18 1 1 A 7 7 ILE H H 7 7.030 7.633 -0.603 1
1 40 . 18 1 1 A 7 7 ILE HA H 7 4.730 4.793 -0.063 1
1 50 . 18 1 1 A 8 8 PHE H H 8 8.590 8.679 -0.089 1
1 51 . 18 1 1 A 8 8 PHE HA H 8 4.340 4.704 -0.364 1
1 58 . 18 1 1 A 9 9 VAL H H 9 6.820 7.631 -0.811 1
1 59 . 18 1 1 A 9 9 VAL HA H 9 3.850 3.770 0.080 1
1 67 . 18 1 1 A 10 10 CYS H H 10 7.100 7.643 -0.543 1
1 68 . 18 1 1 A 10 10 CYS HA H 10 4.190 4.168 0.022 1
1 71 . 18 1 1 A 11 11 THR H H 11 7.770 7.964 -0.194 1
1 72 . 18 1 1 A 11 11 THR HA H 11 3.860 3.815 0.045 1
1 77 . 18 1 1 A 12 12 SER H H 12 7.730 7.895 -0.165 1
1 78 . 18 1 1 A 12 12 SER HA H 12 4.150 4.175 -0.025 1
1 81 . 18 1 1 A 13 13 TRP H H 13 8.490 6.950 1.540 1
1 82 . 18 1 1 A 13 13 TRP HA H 13 3.980 4.257 -0.277 1
1 91 . 18 1 1 A 14 14 ALA H H 14 8.850 8.686 0.164 1
1 92 . 18 1 1 A 14 14 ALA HA H 14 4.270 4.235 0.035 1
1 96 . 18 1 1 A 15 15 ARG H H 15 7.900 7.678 0.222 1
1 97 . 18 1 1 A 15 15 ARG HA H 15 4.190 4.271 -0.081 1
1 105 . 18 1 1 A 16 16 LYS H H 16 7.490 8.565 -1.075 1
1 106 . 18 1 1 A 16 16 LYS HA H 16 4.330 4.561 -0.231 1
1 118 . 18 1 1 A 17 17 GLY H H 17 7.610 8.007 -0.397 1
1 119 . 18 1 1 A 17 17 GLY HA2 H 17 4.480 4.042 0.438 1
1 120 . 18 1 1 A 17 17 GLY HA3 H 17 4.150 4.066 0.084 1
1 121 . 18 1 1 A 18 18 PHE H H 18 8.080 8.132 -0.052 1
1 122 . 18 1 1 A 18 18 PHE HA H 18 4.380 4.287 0.093 1
1 130 . 18 1 1 A 19 19 CYS H H 19 9.520 8.379 1.141 1
1 131 . 18 1 1 A 19 19 CYS HA H 19 4.160 4.574 -0.414 1
1 134 . 18 1 1 A 20 20 ASP H H 20 7.350 7.822 -0.472 1
1 135 . 18 1 1 A 20 20 ASP HA H 20 4.880 4.788 0.092 1
1 138 . 18 1 1 A 21 21 VAL H H 21 7.350 8.677 -1.327 1
1 139 . 18 1 1 A 21 21 VAL HA H 21 4.250 3.688 0.562 1
1 147 . 18 1 1 A 22 22 ARG H H 22 8.310 7.549 0.761 1
1 148 . 18 1 1 A 22 22 ARG HA H 22 4.710 3.989 0.721 1
1 156 . 18 1 1 A 23 23 GLN H H 23 7.820 8.269 -0.449 1
1 157 . 18 1 1 A 23 23 GLN HA H 23 3.920 4.357 -0.437 1
1 164 . 18 1 1 A 24 24 ARG H H 24 8.520 8.062 0.458 1
1 165 . 18 1 1 A 24 24 ARG HA H 24 3.860 4.129 -0.269 1
1 173 . 18 1 1 A 25 25 LEU H H 25 7.830 9.021 -1.191 1
1 174 . 18 1 1 A 25 25 LEU HA H 25 4.130 4.300 -0.170 1
1 184 . 18 1 1 A 26 26 MET H H 26 8.490 7.951 0.539 1
1 185 . 18 1 1 A 26 26 MET HA H 26 4.460 4.048 0.412 1
1 193 . 18 1 1 A 27 27 LYS H H 27 8.930 7.997 0.933 1
1 194 . 18 1 1 A 27 27 LYS HA H 27 4.010 4.027 -0.017 1
1 206 . 18 1 1 A 28 28 ARG H H 28 7.150 7.696 -0.546 1
1 207 . 18 1 1 A 28 28 ARG HA H 28 4.290 4.187 0.103 1
1 215 . 18 1 1 A 29 29 LEU H H 29 8.490 7.687 0.803 1
1 216 . 18 1 1 A 29 29 LEU HA H 29 4.600 4.050 0.550 1
1 226 . 18 1 1 A 30 30 CYS H H 30 8.930 8.423 0.507 1
1 227 . 18 1 1 A 30 30 CYS HA H 30 5.850 4.935 0.915 1
1 230 . 18 1 1 A 31 31 PRO HA H 31 4.240 4.071 0.169 1
1 237 . 18 1 1 A 32 32 ARG H H 32 7.110 8.071 -0.961 1
1 238 . 18 1 1 A 32 32 ARG HA H 32 4.190 4.119 0.071 1
1 246 . 18 1 1 A 33 33 SER H H 33 10.230 8.385 1.845 1
1 247 . 18 1 1 A 33 33 SER HA H 33 4.120 4.132 -0.012 1
1 250 . 18 1 1 A 34 34 CYS H H 34 6.950 7.760 -0.810 1
1 251 . 18 1 1 A 34 34 CYS HA H 34 4.570 4.711 -0.141 1
1 254 . 18 1 1 A 35 35 ASP H H 35 7.740 8.300 -0.560 1
1 255 . 18 1 1 A 35 35 ASP HA H 35 4.490 4.447 0.043 1
1 258 . 18 1 1 A 36 36 PHE H H 36 9.020 8.607 0.413 1
1 259 . 18 1 1 A 36 36 PHE HA H 36 5.290 4.101 1.189 1
1 8 . 19 1 1 A 2 2 GLY H H 2 8.690 8.370 0.320 1
1 9 . 19 1 1 A 2 2 GLY HA2 H 2 3.900 4.038 -0.138 1
1 10 . 19 1 1 A 2 2 GLY HA3 H 2 3.900 4.058 -0.158 1
1 11 . 19 1 1 A 3 3 CYS H H 3 8.700 8.439 0.261 1
1 12 . 19 1 1 A 3 3 CYS HA H 3 4.710 5.396 -0.686 1
1 15 . 19 1 1 A 4 4 LEU H H 4 8.100 8.863 -0.763 1
1 16 . 19 1 1 A 4 4 LEU HA H 4 4.710 4.904 -0.194 1
1 26 . 19 1 1 A 5 5 ASP H H 5 8.720 8.665 0.055 1
1 27 . 19 1 1 A 5 5 ASP HA H 5 5.070 4.940 0.130 1
1 30 . 19 1 1 A 6 6 ARG H H 6 9.520 8.658 0.862 1
1 31 . 19 1 1 A 6 6 ARG HA H 6 4.360 4.583 -0.223 1
1 39 . 19 1 1 A 7 7 ILE H H 7 7.030 7.626 -0.596 1
1 40 . 19 1 1 A 7 7 ILE HA H 7 4.730 4.613 0.117 1
1 50 . 19 1 1 A 8 8 PHE H H 8 8.590 7.796 0.794 1
1 51 . 19 1 1 A 8 8 PHE HA H 8 4.340 4.822 -0.482 1
1 58 . 19 1 1 A 9 9 VAL H H 9 6.820 7.105 -0.285 1
1 59 . 19 1 1 A 9 9 VAL HA H 9 3.850 3.543 0.307 1
1 67 . 19 1 1 A 10 10 CYS H H 10 7.100 7.535 -0.435 1
1 68 . 19 1 1 A 10 10 CYS HA H 10 4.190 3.976 0.214 1
1 71 . 19 1 1 A 11 11 THR H H 11 7.770 7.686 0.084 1
1 72 . 19 1 1 A 11 11 THR HA H 11 3.860 3.866 -0.006 1
1 77 . 19 1 1 A 12 12 SER H H 12 7.730 7.957 -0.227 1
1 78 . 19 1 1 A 12 12 SER HA H 12 4.150 4.195 -0.045 1
1 81 . 19 1 1 A 13 13 TRP H H 13 8.490 7.323 1.167 1
1 82 . 19 1 1 A 13 13 TRP HA H 13 3.980 4.171 -0.191 1
1 91 . 19 1 1 A 14 14 ALA H H 14 8.850 8.547 0.303 1
1 92 . 19 1 1 A 14 14 ALA HA H 14 4.270 4.225 0.045 1
1 96 . 19 1 1 A 15 15 ARG H H 15 7.900 7.520 0.380 1
1 97 . 19 1 1 A 15 15 ARG HA H 15 4.190 4.188 0.002 1
1 105 . 19 1 1 A 16 16 LYS H H 16 7.490 8.692 -1.202 1
1 106 . 19 1 1 A 16 16 LYS HA H 16 4.330 4.539 -0.209 1
1 118 . 19 1 1 A 17 17 GLY H H 17 7.610 7.786 -0.176 1
1 119 . 19 1 1 A 17 17 GLY HA2 H 17 4.480 4.105 0.375 1
1 120 . 19 1 1 A 17 17 GLY HA3 H 17 4.150 4.120 0.030 1
1 121 . 19 1 1 A 18 18 PHE H H 18 8.080 8.071 0.009 1
1 122 . 19 1 1 A 18 18 PHE HA H 18 4.380 4.269 0.111 1
1 130 . 19 1 1 A 19 19 CYS H H 19 9.520 8.277 1.243 1
1 131 . 19 1 1 A 19 19 CYS HA H 19 4.160 4.929 -0.769 1
1 134 . 19 1 1 A 20 20 ASP H H 20 7.350 8.299 -0.949 1
1 135 . 19 1 1 A 20 20 ASP HA H 20 4.880 4.830 0.050 1
1 138 . 19 1 1 A 21 21 VAL H H 21 7.350 7.884 -0.534 1
1 139 . 19 1 1 A 21 21 VAL HA H 21 4.250 3.694 0.556 1
1 147 . 19 1 1 A 22 22 ARG H H 22 8.310 7.182 1.128 1
1 148 . 19 1 1 A 22 22 ARG HA H 22 4.710 4.117 0.593 1
1 156 . 19 1 1 A 23 23 GLN H H 23 7.820 7.633 0.187 1
1 157 . 19 1 1 A 23 23 GLN HA H 23 3.920 3.657 0.263 1
1 164 . 19 1 1 A 24 24 ARG H H 24 8.520 8.238 0.282 1
1 165 . 19 1 1 A 24 24 ARG HA H 24 3.860 3.935 -0.075 1
1 173 . 19 1 1 A 25 25 LEU H H 25 7.830 8.780 -0.950 1
1 174 . 19 1 1 A 25 25 LEU HA H 25 4.130 4.153 -0.023 1
1 184 . 19 1 1 A 26 26 MET H H 26 8.490 8.075 0.415 1
1 185 . 19 1 1 A 26 26 MET HA H 26 4.460 4.479 -0.019 1
1 193 . 19 1 1 A 27 27 LYS H H 27 8.930 7.944 0.986 1
1 194 . 19 1 1 A 27 27 LYS HA H 27 4.010 3.882 0.128 1
1 206 . 19 1 1 A 28 28 ARG H H 28 7.150 7.640 -0.490 1
1 207 . 19 1 1 A 28 28 ARG HA H 28 4.290 4.447 -0.157 1
1 215 . 19 1 1 A 29 29 LEU H H 29 8.490 7.804 0.686 1
1 216 . 19 1 1 A 29 29 LEU HA H 29 4.600 4.689 -0.089 1
1 226 . 19 1 1 A 30 30 CYS H H 30 8.930 7.950 0.980 1
1 227 . 19 1 1 A 30 30 CYS HA H 30 5.850 5.040 0.810 1
1 230 . 19 1 1 A 31 31 PRO HA H 31 4.240 4.741 -0.501 1
1 237 . 19 1 1 A 32 32 ARG H H 32 7.110 8.816 -1.706 1
1 238 . 19 1 1 A 32 32 ARG HA H 32 4.190 4.133 0.057 1
1 246 . 19 1 1 A 33 33 SER H H 33 10.230 7.503 2.727 1
1 247 . 19 1 1 A 33 33 SER HA H 33 4.120 4.136 -0.016 1
1 250 . 19 1 1 A 34 34 CYS H H 34 6.950 7.255 -0.305 1
1 251 . 19 1 1 A 34 34 CYS HA H 34 4.570 4.458 0.112 1
1 254 . 19 1 1 A 35 35 ASP H H 35 7.740 7.864 -0.124 1
1 255 . 19 1 1 A 35 35 ASP HA H 35 4.490 4.447 0.043 1
1 258 . 19 1 1 A 36 36 PHE H H 36 9.020 7.509 1.511 1
1 259 . 19 1 1 A 36 36 PHE HA H 36 5.290 4.272 1.018 1
1 8 . 20 1 1 A 2 2 GLY H H 2 8.690 7.982 0.708 1
1 9 . 20 1 1 A 2 2 GLY HA2 H 2 3.900 4.062 -0.162 1
1 10 . 20 1 1 A 2 2 GLY HA3 H 2 3.900 4.077 -0.177 1
1 11 . 20 1 1 A 3 3 CYS H H 3 8.700 7.717 0.983 1
1 12 . 20 1 1 A 3 3 CYS HA H 3 4.710 5.290 -0.580 1
1 15 . 20 1 1 A 4 4 LEU H H 4 8.100 8.729 -0.629 1
1 16 . 20 1 1 A 4 4 LEU HA H 4 4.710 4.877 -0.167 1
1 26 . 20 1 1 A 5 5 ASP H H 5 8.720 8.998 -0.278 1
1 27 . 20 1 1 A 5 5 ASP HA H 5 5.070 5.171 -0.101 1
1 30 . 20 1 1 A 6 6 ARG H H 6 9.520 9.346 0.174 1
1 31 . 20 1 1 A 6 6 ARG HA H 6 4.360 4.393 -0.033 1
1 39 . 20 1 1 A 7 7 ILE H H 7 7.030 7.460 -0.430 1
1 40 . 20 1 1 A 7 7 ILE HA H 7 4.730 4.510 0.220 1
1 50 . 20 1 1 A 8 8 PHE H H 8 8.590 8.509 0.081 1
1 51 . 20 1 1 A 8 8 PHE HA H 8 4.340 4.813 -0.473 1
1 58 . 20 1 1 A 9 9 VAL H H 9 6.820 7.511 -0.691 1
1 59 . 20 1 1 A 9 9 VAL HA H 9 3.850 3.837 0.013 1
1 67 . 20 1 1 A 10 10 CYS H H 10 7.100 7.754 -0.654 1
1 68 . 20 1 1 A 10 10 CYS HA H 10 4.190 4.441 -0.251 1
1 71 . 20 1 1 A 11 11 THR H H 11 7.770 7.795 -0.025 1
1 72 . 20 1 1 A 11 11 THR HA H 11 3.860 3.900 -0.040 1
1 77 . 20 1 1 A 12 12 SER H H 12 7.730 7.853 -0.123 1
1 78 . 20 1 1 A 12 12 SER HA H 12 4.150 4.122 0.028 1
1 81 . 20 1 1 A 13 13 TRP H H 13 8.490 7.132 1.358 1
1 82 . 20 1 1 A 13 13 TRP HA H 13 3.980 4.298 -0.318 1
1 91 . 20 1 1 A 14 14 ALA H H 14 8.850 8.849 0.001 1
1 92 . 20 1 1 A 14 14 ALA HA H 14 4.270 4.220 0.050 1
1 96 . 20 1 1 A 15 15 ARG H H 15 7.900 8.075 -0.175 1
1 97 . 20 1 1 A 15 15 ARG HA H 15 4.190 4.208 -0.018 1
1 105 . 20 1 1 A 16 16 LYS H H 16 7.490 8.870 -1.380 1
1 106 . 20 1 1 A 16 16 LYS HA H 16 4.330 4.620 -0.290 1
1 118 . 20 1 1 A 17 17 GLY H H 17 7.610 7.685 -0.075 1
1 119 . 20 1 1 A 17 17 GLY HA2 H 17 4.480 3.996 0.484 1
1 120 . 20 1 1 A 17 17 GLY HA3 H 17 4.150 4.011 0.139 1
1 121 . 20 1 1 A 18 18 PHE H H 18 8.080 8.098 -0.018 1
1 122 . 20 1 1 A 18 18 PHE HA H 18 4.380 4.351 0.029 1
1 130 . 20 1 1 A 19 19 CYS H H 19 9.520 8.433 1.087 1
1 131 . 20 1 1 A 19 19 CYS HA H 19 4.160 4.702 -0.542 1
1 134 . 20 1 1 A 20 20 ASP H H 20 7.350 9.065 -1.715 1
1 135 . 20 1 1 A 20 20 ASP HA H 20 4.880 4.980 -0.100 1
1 138 . 20 1 1 A 21 21 VAL H H 21 7.350 8.530 -1.180 1
1 139 . 20 1 1 A 21 21 VAL HA H 21 4.250 3.402 0.848 1
1 147 . 20 1 1 A 22 22 ARG H H 22 8.310 7.290 1.020 1
1 148 . 20 1 1 A 22 22 ARG HA H 22 4.710 4.131 0.579 1
1 156 . 20 1 1 A 23 23 GLN H H 23 7.820 7.960 -0.140 1
1 157 . 20 1 1 A 23 23 GLN HA H 23 3.920 4.272 -0.352 1
1 164 . 20 1 1 A 24 24 ARG H H 24 8.520 8.181 0.339 1
1 165 . 20 1 1 A 24 24 ARG HA H 24 3.860 4.016 -0.156 1
1 173 . 20 1 1 A 25 25 LEU H H 25 7.830 8.774 -0.944 1
1 174 . 20 1 1 A 25 25 LEU HA H 25 4.130 4.131 -0.001 1
1 184 . 20 1 1 A 26 26 MET H H 26 8.490 8.142 0.348 1
1 185 . 20 1 1 A 26 26 MET HA H 26 4.460 4.182 0.278 1
1 193 . 20 1 1 A 27 27 LYS H H 27 8.930 7.319 1.611 1
1 194 . 20 1 1 A 27 27 LYS HA H 27 4.010 2.816 1.194 1
1 206 . 20 1 1 A 28 28 ARG H H 28 7.150 7.586 -0.436 1
1 207 . 20 1 1 A 28 28 ARG HA H 28 4.290 4.334 -0.044 1
1 215 . 20 1 1 A 29 29 LEU H H 29 8.490 7.237 1.253 1
1 216 . 20 1 1 A 29 29 LEU HA H 29 4.600 4.159 0.441 1
1 226 . 20 1 1 A 30 30 CYS H H 30 8.930 7.773 1.157 1
1 227 . 20 1 1 A 30 30 CYS HA H 30 5.850 4.988 0.862 1
1 230 . 20 1 1 A 31 31 PRO HA H 31 4.240 4.860 -0.620 1
1 237 . 20 1 1 A 32 32 ARG H H 32 7.110 8.132 -1.022 1
1 238 . 20 1 1 A 32 32 ARG HA H 32 4.190 4.127 0.063 1
1 246 . 20 1 1 A 33 33 SER H H 33 10.230 8.390 1.840 1
1 247 . 20 1 1 A 33 33 SER HA H 33 4.120 4.059 0.061 1
1 250 . 20 1 1 A 34 34 CYS H H 34 6.950 7.901 -0.951 1
1 251 . 20 1 1 A 34 34 CYS HA H 34 4.570 4.518 0.052 1
1 254 . 20 1 1 A 35 35 ASP H H 35 7.740 8.132 -0.392 1
1 255 . 20 1 1 A 35 35 ASP HA H 35 4.490 4.820 -0.330 1
1 258 . 20 1 1 A 36 36 PHE H H 36 9.020 8.062 0.958 1
1 259 . 20 1 1 A 36 36 PHE HA H 36 5.290 4.270 1.020 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 0 0.000 1
3 1 1 1 "RMS(OBS, PRED)" CB 0 0.000 1
4 1 1 1 "RMS(OBS, PRED)" H 34 0.813 1
5 1 1 1 "RMS(OBS, PRED)" HA 37 0.368 1
6 1 1 1 "RMS(OBS, PRED)" N 0 0.000 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 0 0.000 1
9 1 2 1 "RMS(OBS, PRED)" CB 0 0.000 1
10 1 2 1 "RMS(OBS, PRED)" H 34 0.793 1
11 1 2 1 "RMS(OBS, PRED)" HA 37 0.364 1
12 1 2 1 "RMS(OBS, PRED)" N 0 0.000 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 0 0.000 1
15 1 3 1 "RMS(OBS, PRED)" CB 0 0.000 1
16 1 3 1 "RMS(OBS, PRED)" H 34 0.813 1
17 1 3 1 "RMS(OBS, PRED)" HA 37 0.366 1
18 1 3 1 "RMS(OBS, PRED)" N 0 0.000 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 0 0.000 1
21 1 4 1 "RMS(OBS, PRED)" CB 0 0.000 1
22 1 4 1 "RMS(OBS, PRED)" H 34 0.859 1
23 1 4 1 "RMS(OBS, PRED)" HA 37 0.343 1
24 1 4 1 "RMS(OBS, PRED)" N 0 0.000 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 0 0.000 1
27 1 5 1 "RMS(OBS, PRED)" CB 0 0.000 1
28 1 5 1 "RMS(OBS, PRED)" H 34 0.816 1
29 1 5 1 "RMS(OBS, PRED)" HA 37 0.359 1
30 1 5 1 "RMS(OBS, PRED)" N 0 0.000 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 0 0.000 1
33 1 6 1 "RMS(OBS, PRED)" CB 0 0.000 1
34 1 6 1 "RMS(OBS, PRED)" H 34 0.831 1
35 1 6 1 "RMS(OBS, PRED)" HA 37 0.362 1
36 1 6 1 "RMS(OBS, PRED)" N 0 0.000 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 0 0.000 1
39 1 7 1 "RMS(OBS, PRED)" CB 0 0.000 1
40 1 7 1 "RMS(OBS, PRED)" H 34 0.764 1
41 1 7 1 "RMS(OBS, PRED)" HA 37 0.391 1
42 1 7 1 "RMS(OBS, PRED)" N 0 0.000 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 0 0.000 1
45 1 8 1 "RMS(OBS, PRED)" CB 0 0.000 1
46 1 8 1 "RMS(OBS, PRED)" H 34 0.846 1
47 1 8 1 "RMS(OBS, PRED)" HA 37 0.326 1
48 1 8 1 "RMS(OBS, PRED)" N 0 0.000 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 0 0.000 1
51 1 9 1 "RMS(OBS, PRED)" CB 0 0.000 1
52 1 9 1 "RMS(OBS, PRED)" H 34 0.836 1
53 1 9 1 "RMS(OBS, PRED)" HA 37 0.366 1
54 1 9 1 "RMS(OBS, PRED)" N 0 0.000 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 0 0.000 1
57 1 10 1 "RMS(OBS, PRED)" CB 0 0.000 1
58 1 10 1 "RMS(OBS, PRED)" H 34 0.824 1
59 1 10 1 "RMS(OBS, PRED)" HA 37 0.382 1
60 1 10 1 "RMS(OBS, PRED)" N 0 0.000 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 0 0.000 1
63 1 11 1 "RMS(OBS, PRED)" CB 0 0.000 1
64 1 11 1 "RMS(OBS, PRED)" H 34 0.790 1
65 1 11 1 "RMS(OBS, PRED)" HA 37 0.362 1
66 1 11 1 "RMS(OBS, PRED)" N 0 0.000 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 0 0.000 1
69 1 12 1 "RMS(OBS, PRED)" CB 0 0.000 1
70 1 12 1 "RMS(OBS, PRED)" H 34 0.880 1
71 1 12 1 "RMS(OBS, PRED)" HA 37 0.364 1
72 1 12 1 "RMS(OBS, PRED)" N 0 0.000 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 0 0.000 1
75 1 13 1 "RMS(OBS, PRED)" CB 0 0.000 1
76 1 13 1 "RMS(OBS, PRED)" H 34 0.879 1
77 1 13 1 "RMS(OBS, PRED)" HA 37 0.396 1
78 1 13 1 "RMS(OBS, PRED)" N 0 0.000 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 0 0.000 1
81 1 14 1 "RMS(OBS, PRED)" CB 0 0.000 1
82 1 14 1 "RMS(OBS, PRED)" H 34 0.811 1
83 1 14 1 "RMS(OBS, PRED)" HA 37 0.423 1
84 1 14 1 "RMS(OBS, PRED)" N 0 0.000 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 0 0.000 1
87 1 15 1 "RMS(OBS, PRED)" CB 0 0.000 1
88 1 15 1 "RMS(OBS, PRED)" H 34 0.796 1
89 1 15 1 "RMS(OBS, PRED)" HA 37 0.354 1
90 1 15 1 "RMS(OBS, PRED)" N 0 0.000 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 0 0.000 1
93 1 16 1 "RMS(OBS, PRED)" CB 0 0.000 1
94 1 16 1 "RMS(OBS, PRED)" H 34 0.896 1
95 1 16 1 "RMS(OBS, PRED)" HA 37 0.408 1
96 1 16 1 "RMS(OBS, PRED)" N 0 0.000 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 0 0.000 1
99 1 17 1 "RMS(OBS, PRED)" CB 0 0.000 1
100 1 17 1 "RMS(OBS, PRED)" H 34 0.903 1
101 1 17 1 "RMS(OBS, PRED)" HA 37 0.354 1
102 1 17 1 "RMS(OBS, PRED)" N 0 0.000 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 0 0.000 1
105 1 18 1 "RMS(OBS, PRED)" CB 0 0.000 1
106 1 18 1 "RMS(OBS, PRED)" H 34 0.785 1
107 1 18 1 "RMS(OBS, PRED)" HA 37 0.378 1
108 1 18 1 "RMS(OBS, PRED)" N 0 0.000 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 0 0.000 1
111 1 19 1 "RMS(OBS, PRED)" CB 0 0.000 1
112 1 19 1 "RMS(OBS, PRED)" H 34 0.896 1
113 1 19 1 "RMS(OBS, PRED)" HA 37 0.356 1
114 1 19 1 "RMS(OBS, PRED)" N 0 0.000 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 0 0.000 1
117 1 20 1 "RMS(OBS, PRED)" CB 0 0.000 1
118 1 20 1 "RMS(OBS, PRED)" H 34 0.899 1
119 1 20 1 "RMS(OBS, PRED)" HA 37 0.431 1
120 1 20 1 "RMS(OBS, PRED)" N 0 0.000 1
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.Conformer_type "average"
_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.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_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.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 8 . 1 1 A 2 2 GLY H H 2 8.690 8.306 0.384 2
1 9 . 1 1 A 2 2 GLY HA2 H 2 3.900 3.941 -0.041 2
1 10 . 1 1 A 2 2 GLY HA3 H 2 3.900 3.985 -0.085 2
1 11 . 1 1 A 3 3 CYS H H 3 8.700 8.343 0.357 2
1 12 . 1 1 A 3 3 CYS HA H 3 4.710 4.922 -0.212 2
1 15 . 1 1 A 4 4 LEU H H 4 8.100 8.384 -0.284 2
1 16 . 1 1 A 4 4 LEU HA H 4 4.710 4.881 -0.171 2
1 26 . 1 1 A 5 5 ASP H H 5 8.720 8.671 0.049 2
1 27 . 1 1 A 5 5 ASP HA H 5 5.070 5.019 0.051 2
1 30 . 1 1 A 6 6 ARG H H 6 9.520 8.925 0.595 2
1 31 . 1 1 A 6 6 ARG HA H 6 4.360 4.582 -0.222 2
1 39 . 1 1 A 7 7 ILE H H 7 7.030 7.503 -0.473 2
1 40 . 1 1 A 7 7 ILE HA H 7 4.730 4.527 0.203 2
1 50 . 1 1 A 8 8 PHE H H 8 8.590 8.531 0.059 2
1 51 . 1 1 A 8 8 PHE HA H 8 4.340 4.708 -0.368 2
1 58 . 1 1 A 9 9 VAL H H 9 6.820 7.493 -0.673 2
1 59 . 1 1 A 9 9 VAL HA H 9 3.850 3.745 0.105 2
1 67 . 1 1 A 10 10 CYS H H 10 7.100 7.687 -0.587 2
1 68 . 1 1 A 10 10 CYS HA H 10 4.190 4.242 -0.051 2
1 71 . 1 1 A 11 11 THR H H 11 7.770 7.842 -0.072 2
1 72 . 1 1 A 11 11 THR HA H 11 3.860 3.891 -0.031 2
1 77 . 1 1 A 12 12 SER H H 12 7.730 7.944 -0.214 2
1 78 . 1 1 A 12 12 SER HA H 12 4.150 4.118 0.032 2
1 81 . 1 1 A 13 13 TRP H H 13 8.490 7.519 0.971 2
1 82 . 1 1 A 13 13 TRP HA H 13 3.980 4.394 -0.414 2
1 91 . 1 1 A 14 14 ALA H H 14 8.850 8.549 0.301 2
1 92 . 1 1 A 14 14 ALA HA H 14 4.270 4.256 0.014 2
1 96 . 1 1 A 15 15 ARG H H 15 7.900 7.793 0.108 2
1 97 . 1 1 A 15 15 ARG HA H 15 4.190 4.255 -0.065 2
1 105 . 1 1 A 16 16 LYS H H 16 7.490 8.376 -0.886 2
1 106 . 1 1 A 16 16 LYS HA H 16 4.330 4.564 -0.234 2
1 118 . 1 1 A 17 17 GLY H H 17 7.610 7.902 -0.292 2
1 119 . 1 1 A 17 17 GLY HA2 H 17 4.480 4.038 0.442 2
1 120 . 1 1 A 17 17 GLY HA3 H 17 4.150 4.055 0.095 2
1 121 . 1 1 A 18 18 PHE H H 18 8.080 8.045 0.035 2
1 122 . 1 1 A 18 18 PHE HA H 18 4.380 4.257 0.123 2
1 130 . 1 1 A 19 19 CYS H H 19 9.520 8.279 1.241 2
1 131 . 1 1 A 19 19 CYS HA H 19 4.160 4.778 -0.618 2
1 134 . 1 1 A 20 20 ASP H H 20 7.350 8.299 -0.949 2
1 135 . 1 1 A 20 20 ASP HA H 20 4.880 4.858 0.022 2
1 138 . 1 1 A 21 21 VAL H H 21 7.350 7.988 -0.638 2
1 139 . 1 1 A 21 21 VAL HA H 21 4.250 3.807 0.443 2
1 147 . 1 1 A 22 22 ARG H H 22 8.310 7.594 0.716 2
1 148 . 1 1 A 22 22 ARG HA H 22 4.710 4.109 0.601 2
1 156 . 1 1 A 23 23 GLN H H 23 7.820 8.010 -0.190 2
1 157 . 1 1 A 23 23 GLN HA H 23 3.920 4.127 -0.207 2
1 164 . 1 1 A 24 24 ARG H H 24 8.520 8.094 0.426 2
1 165 . 1 1 A 24 24 ARG HA H 24 3.860 3.983 -0.123 2
1 173 . 1 1 A 25 25 LEU H H 25 7.830 8.677 -0.847 2
1 174 . 1 1 A 25 25 LEU HA H 25 4.130 4.179 -0.049 2
1 184 . 1 1 A 26 26 MET H H 26 8.490 8.033 0.457 2
1 185 . 1 1 A 26 26 MET HA H 26 4.460 4.286 0.174 2
1 193 . 1 1 A 27 27 LYS H H 27 8.930 7.859 1.071 2
1 194 . 1 1 A 27 27 LYS HA H 27 4.010 3.766 0.244 2
1 206 . 1 1 A 28 28 ARG H H 28 7.150 8.031 -0.881 2
1 207 . 1 1 A 28 28 ARG HA H 28 4.290 4.378 -0.088 2
1 215 . 1 1 A 29 29 LEU H H 29 8.490 7.730 0.760 2
1 216 . 1 1 A 29 29 LEU HA H 29 4.600 4.304 0.296 2
1 226 . 1 1 A 30 30 CYS H H 30 8.930 8.071 0.859 2
1 227 . 1 1 A 30 30 CYS HA H 30 5.850 5.076 0.774 2
1 230 . 1 1 A 31 31 PRO HA H 31 4.240 4.603 -0.363 2
1 237 . 1 1 A 32 32 ARG H H 32 7.110 8.422 -1.312 2
1 238 . 1 1 A 32 32 ARG HA H 32 4.190 4.133 0.057 2
1 246 . 1 1 A 33 33 SER H H 33 10.230 8.071 2.159 2
1 247 . 1 1 A 33 33 SER HA H 33 4.120 4.142 -0.022 2
1 250 . 1 1 A 34 34 CYS H H 34 6.950 7.544 -0.594 2
1 251 . 1 1 A 34 34 CYS HA H 34 4.570 4.501 0.069 2
1 254 . 1 1 A 35 35 ASP H H 35 7.740 7.990 -0.250 2
1 255 . 1 1 A 35 35 ASP HA H 35 4.490 4.442 0.048 2
1 258 . 1 1 A 36 36 PHE H H 36 9.020 7.794 1.226 2
1 259 . 1 1 A 36 36 PHE HA H 36 5.290 4.285 1.005 2
stop_
save_