data_16027_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16027
_Entry.PDB_ID 2K91
_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 1 . 1 1 1 A 2 2 ILE HA H 2 3.820 4.035 -0.215 1
1 11 . 1 1 1 A 3 3 VAL H H 3 8.120 7.536 0.584 1
1 12 . 1 1 1 A 3 3 VAL HA H 3 3.600 4.224 -0.624 1
1 20 . 1 1 1 A 4 4 GLU HA H 4 4.090 4.058 0.032 1
1 25 . 1 1 1 A 5 5 GLN HA H 5 4.120 4.358 -0.238 1
1 32 . 1 1 1 A 6 6 CYS HA H 6 5.020 4.363 0.657 1
1 35 . 1 1 1 A 7 7 CYS HA H 7 4.890 4.414 0.476 1
1 38 . 1 1 1 A 8 8 THR H H 8 8.080 8.848 -0.768 1
1 39 . 1 1 1 A 8 8 THR HA H 8 4.100 4.625 -0.525 1
1 44 . 1 1 1 A 9 9 SER HA H 9 4.700 4.706 -0.006 1
1 47 . 1 1 1 A 10 10 ILE H H 10 7.810 7.574 0.236 1
1 48 . 1 1 1 A 10 10 ILE HA H 10 4.290 4.779 -0.489 1
1 58 . 1 1 1 A 11 11 CYS HA H 11 4.930 5.121 -0.191 1
1 61 . 1 1 1 A 12 12 SER H H 12 8.240 8.667 -0.427 1
1 62 . 1 1 1 A 12 12 SER HA H 12 4.620 4.343 0.277 1
1 65 . 1 1 1 A 13 13 LEU HA H 13 3.910 3.892 0.018 1
1 75 . 1 1 1 A 14 14 TYR H H 14 7.630 7.223 0.407 1
1 76 . 1 1 1 A 14 14 TYR HA H 14 4.330 4.248 0.082 1
1 83 . 1 1 1 A 15 15 GLN H H 15 7.510 8.053 -0.543 1
1 84 . 1 1 1 A 15 15 GLN HA H 15 3.990 4.089 -0.099 1
1 89 . 1 1 1 A 16 16 LEU H H 16 7.890 8.141 -0.251 1
1 90 . 1 1 1 A 16 16 LEU HA H 16 4.160 3.617 0.543 1
1 100 . 1 1 1 A 17 17 GLU HA H 17 4.160 4.107 0.053 1
1 105 . 1 1 1 A 18 18 ASN H H 18 7.380 7.721 -0.341 1
1 106 . 1 1 1 A 18 18 ASN HA H 18 4.470 4.418 0.052 1
1 111 . 1 1 1 A 19 19 TYR H H 19 7.950 7.713 0.237 1
1 112 . 1 1 1 A 19 19 TYR HA H 19 4.480 4.828 -0.348 1
1 119 . 1 1 1 A 20 20 CYS H H 20 7.440 8.235 -0.795 1
1 120 . 1 1 1 A 20 20 CYS HA H 20 4.880 4.694 0.186 1
1 136 . 1 2 2 B 2 2 VAL HA H 2 4.030 4.844 -0.814 1
1 144 . 1 2 2 B 3 3 ASN HA H 3 4.590 5.014 -0.424 1
1 147 . 1 2 2 B 4 4 GLN HA H 4 4.470 4.829 -0.359 1
1 154 . 1 2 2 B 5 5 HIS HA H 5 4.410 4.920 -0.510 1
1 158 . 1 2 2 B 6 6 LEU HA H 6 4.580 5.020 -0.440 1
1 168 . 1 2 2 B 7 7 CYS H H 7 8.740 8.750 -0.010 1
1 169 . 1 2 2 B 7 7 CYS HA H 7 4.940 4.961 -0.021 1
1 172 . 1 2 2 B 8 8 GLY HA2 H 8 4.010 3.964 0.046 1
1 173 . 1 2 2 B 8 8 GLY HA3 H 8 3.850 3.966 -0.116 1
1 174 . 1 2 2 B 9 9 SER HA H 9 4.140 4.247 -0.107 1
1 177 . 1 2 2 B 10 10 ASP H H 10 8.040 7.966 0.074 1
1 178 . 1 2 2 B 10 10 ASP HA H 10 4.450 4.606 -0.156 1
1 181 . 1 2 2 B 11 11 LEU H H 11 7.050 8.136 -1.086 1
1 182 . 1 2 2 B 11 11 LEU HA H 11 4.000 4.200 -0.200 1
1 192 . 1 2 2 B 12 12 VAL H H 12 7.050 7.378 -0.328 1
1 193 . 1 2 2 B 12 12 VAL HA H 12 3.410 3.941 -0.531 1
1 201 . 1 2 2 B 13 13 GLU H H 13 7.980 8.971 -0.991 1
1 202 . 1 2 2 B 13 13 GLU HA H 13 4.050 4.224 -0.174 1
1 207 . 1 2 2 B 14 14 ALA H H 14 7.750 7.729 0.021 1
1 208 . 1 2 2 B 14 14 ALA HA H 14 4.110 3.838 0.272 1
1 212 . 1 2 2 B 15 15 LEU H H 15 8.220 7.629 0.591 1
1 213 . 1 2 2 B 15 15 LEU HA H 15 3.990 3.853 0.137 1
1 223 . 1 2 2 B 16 16 TYR H H 16 8.040 8.946 -0.906 1
1 224 . 1 2 2 B 16 16 TYR HA H 16 4.290 4.010 0.280 1
1 231 . 1 2 2 B 17 17 LEU H H 17 7.690 7.655 0.035 1
1 232 . 1 2 2 B 17 17 LEU HA H 17 4.090 3.747 0.343 1
1 242 . 1 2 2 B 18 18 VAL H H 18 8.250 7.919 0.331 1
1 243 . 1 2 2 B 18 18 VAL HA H 18 3.820 3.806 0.014 1
1 251 . 1 2 2 B 19 19 CYS H H 19 8.680 7.839 0.841 1
1 252 . 1 2 2 B 19 19 CYS HA H 19 4.730 4.609 0.121 1
1 255 . 1 2 2 B 20 20 GLY H H 20 7.750 8.063 -0.313 1
1 256 . 1 2 2 B 20 20 GLY HA2 H 20 3.940 3.693 0.247 1
1 257 . 1 2 2 B 20 20 GLY HA3 H 20 3.790 3.753 0.037 1
1 258 . 1 2 2 B 21 21 GLU HA H 21 4.160 4.093 0.067 1
1 263 . 1 2 2 B 22 22 ARG H H 22 8.040 8.156 -0.116 1
1 264 . 1 2 2 B 22 22 ARG HA H 22 4.260 4.518 -0.258 1
1 271 . 1 2 2 B 23 23 GLY H H 23 7.760 8.043 -0.283 1
1 272 . 1 2 2 B 23 23 GLY HA2 H 23 3.930 4.084 -0.154 1
1 273 . 1 2 2 B 23 23 GLY HA3 H 23 3.800 4.245 -0.445 1
1 274 . 1 2 2 B 24 24 ALA H H 24 8.010 7.611 0.399 1
1 275 . 1 2 2 B 24 24 ALA HA H 24 4.570 4.105 0.465 1
1 279 . 1 2 2 B 25 25 PHE H H 25 8.240 8.133 0.107 1
1 280 . 1 2 2 B 25 25 PHE HA H 25 4.620 4.213 0.407 1
1 287 . 1 2 2 B 26 26 TYR HA H 26 4.510 4.704 -0.194 1
1 294 . 1 2 2 B 27 27 THR HA H 27 4.280 4.878 -0.598 1
1 299 . 1 2 2 B 28 28 LYS HA H 28 4.420 4.989 -0.569 1
1 308 . 1 2 2 B 29 29 PRO HA H 29 4.490 4.612 -0.122 1
1 1 . 2 1 1 A 2 2 ILE HA H 2 3.820 3.784 0.036 1
1 11 . 2 1 1 A 3 3 VAL H H 3 8.120 7.467 0.653 1
1 12 . 2 1 1 A 3 3 VAL HA H 3 3.600 4.356 -0.756 1
1 20 . 2 1 1 A 4 4 GLU HA H 4 4.090 4.084 0.006 1
1 25 . 2 1 1 A 5 5 GLN HA H 5 4.120 4.403 -0.283 1
1 32 . 2 1 1 A 6 6 CYS HA H 6 5.020 4.232 0.788 1
1 35 . 2 1 1 A 7 7 CYS HA H 7 4.890 4.167 0.723 1
1 38 . 2 1 1 A 8 8 THR H H 8 8.080 7.732 0.348 1
1 39 . 2 1 1 A 8 8 THR HA H 8 4.100 4.046 0.054 1
1 44 . 2 1 1 A 9 9 SER HA H 9 4.700 4.756 -0.056 1
1 47 . 2 1 1 A 10 10 ILE H H 10 7.810 8.257 -0.447 1
1 48 . 2 1 1 A 10 10 ILE HA H 10 4.290 4.786 -0.496 1
1 58 . 2 1 1 A 11 11 CYS HA H 11 4.930 5.048 -0.118 1
1 61 . 2 1 1 A 12 12 SER H H 12 8.240 8.226 0.014 1
1 62 . 2 1 1 A 12 12 SER HA H 12 4.620 4.843 -0.223 1
1 65 . 2 1 1 A 13 13 LEU HA H 13 3.910 3.790 0.120 1
1 75 . 2 1 1 A 14 14 TYR H H 14 7.630 7.613 0.017 1
1 76 . 2 1 1 A 14 14 TYR HA H 14 4.330 4.361 -0.031 1
1 83 . 2 1 1 A 15 15 GLN H H 15 7.510 7.993 -0.483 1
1 84 . 2 1 1 A 15 15 GLN HA H 15 3.990 4.195 -0.205 1
1 89 . 2 1 1 A 16 16 LEU H H 16 7.890 7.619 0.271 1
1 90 . 2 1 1 A 16 16 LEU HA H 16 4.160 3.229 0.931 1
1 100 . 2 1 1 A 17 17 GLU HA H 17 4.160 3.996 0.164 1
1 105 . 2 1 1 A 18 18 ASN H H 18 7.380 7.493 -0.113 1
1 106 . 2 1 1 A 18 18 ASN HA H 18 4.470 4.478 -0.008 1
1 111 . 2 1 1 A 19 19 TYR H H 19 7.950 8.055 -0.105 1
1 112 . 2 1 1 A 19 19 TYR HA H 19 4.480 4.793 -0.313 1
1 119 . 2 1 1 A 20 20 CYS H H 20 7.440 7.359 0.081 1
1 120 . 2 1 1 A 20 20 CYS HA H 20 4.880 4.985 -0.105 1
1 136 . 2 2 2 B 2 2 VAL HA H 2 4.030 4.665 -0.635 1
1 144 . 2 2 2 B 3 3 ASN HA H 3 4.590 5.112 -0.522 1
1 147 . 2 2 2 B 4 4 GLN HA H 4 4.470 4.597 -0.127 1
1 154 . 2 2 2 B 5 5 HIS HA H 5 4.410 5.266 -0.856 1
1 158 . 2 2 2 B 6 6 LEU HA H 6 4.580 4.979 -0.399 1
1 168 . 2 2 2 B 7 7 CYS H H 7 8.740 8.669 0.071 1
1 169 . 2 2 2 B 7 7 CYS HA H 7 4.940 4.885 0.055 1
1 172 . 2 2 2 B 8 8 GLY HA2 H 8 4.010 3.932 0.078 1
1 173 . 2 2 2 B 8 8 GLY HA3 H 8 3.850 3.939 -0.089 1
1 174 . 2 2 2 B 9 9 SER HA H 9 4.140 4.284 -0.144 1
1 177 . 2 2 2 B 10 10 ASP H H 10 8.040 8.019 0.021 1
1 178 . 2 2 2 B 10 10 ASP HA H 10 4.450 4.532 -0.082 1
1 181 . 2 2 2 B 11 11 LEU H H 11 7.050 8.097 -1.047 1
1 182 . 2 2 2 B 11 11 LEU HA H 11 4.000 4.103 -0.103 1
1 192 . 2 2 2 B 12 12 VAL H H 12 7.050 7.318 -0.268 1
1 193 . 2 2 2 B 12 12 VAL HA H 12 3.410 3.849 -0.439 1
1 201 . 2 2 2 B 13 13 GLU H H 13 7.980 8.665 -0.685 1
1 202 . 2 2 2 B 13 13 GLU HA H 13 4.050 4.124 -0.074 1
1 207 . 2 2 2 B 14 14 ALA H H 14 7.750 7.845 -0.095 1
1 208 . 2 2 2 B 14 14 ALA HA H 14 4.110 4.340 -0.230 1
1 212 . 2 2 2 B 15 15 LEU H H 15 8.220 8.064 0.156 1
1 213 . 2 2 2 B 15 15 LEU HA H 15 3.990 4.095 -0.105 1
1 223 . 2 2 2 B 16 16 TYR H H 16 8.040 9.010 -0.970 1
1 224 . 2 2 2 B 16 16 TYR HA H 16 4.290 4.294 -0.004 1
1 231 . 2 2 2 B 17 17 LEU H H 17 7.690 7.789 -0.099 1
1 232 . 2 2 2 B 17 17 LEU HA H 17 4.090 3.773 0.317 1
1 242 . 2 2 2 B 18 18 VAL H H 18 8.250 7.225 1.025 1
1 243 . 2 2 2 B 18 18 VAL HA H 18 3.820 3.873 -0.053 1
1 251 . 2 2 2 B 19 19 CYS H H 19 8.680 7.835 0.845 1
1 252 . 2 2 2 B 19 19 CYS HA H 19 4.730 4.302 0.428 1
1 255 . 2 2 2 B 20 20 GLY H H 20 7.750 8.039 -0.289 1
1 256 . 2 2 2 B 20 20 GLY HA2 H 20 3.940 3.816 0.124 1
1 257 . 2 2 2 B 20 20 GLY HA3 H 20 3.790 3.850 -0.060 1
1 258 . 2 2 2 B 21 21 GLU HA H 21 4.160 4.132 0.028 1
1 263 . 2 2 2 B 22 22 ARG H H 22 8.040 7.955 0.085 1
1 264 . 2 2 2 B 22 22 ARG HA H 22 4.260 4.480 -0.220 1
1 271 . 2 2 2 B 23 23 GLY H H 23 7.760 7.994 -0.234 1
1 272 . 2 2 2 B 23 23 GLY HA2 H 23 3.930 4.053 -0.123 1
1 273 . 2 2 2 B 23 23 GLY HA3 H 23 3.800 4.057 -0.257 1
1 274 . 2 2 2 B 24 24 ALA H H 24 8.010 8.326 -0.316 1
1 275 . 2 2 2 B 24 24 ALA HA H 24 4.570 5.046 -0.476 1
1 279 . 2 2 2 B 25 25 PHE H H 25 8.240 8.804 -0.564 1
1 280 . 2 2 2 B 25 25 PHE HA H 25 4.620 5.221 -0.601 1
1 287 . 2 2 2 B 26 26 TYR HA H 26 4.510 4.709 -0.199 1
1 294 . 2 2 2 B 27 27 THR HA H 27 4.280 4.399 -0.119 1
1 299 . 2 2 2 B 28 28 LYS HA H 28 4.420 5.042 -0.622 1
1 308 . 2 2 2 B 29 29 PRO HA H 29 4.490 4.725 -0.235 1
1 1 . 3 1 1 A 2 2 ILE HA H 2 3.820 4.068 -0.248 1
1 11 . 3 1 1 A 3 3 VAL H H 3 8.120 7.637 0.483 1
1 12 . 3 1 1 A 3 3 VAL HA H 3 3.600 4.163 -0.563 1
1 20 . 3 1 1 A 4 4 GLU HA H 4 4.090 4.074 0.016 1
1 25 . 3 1 1 A 5 5 GLN HA H 5 4.120 4.404 -0.284 1
1 32 . 3 1 1 A 6 6 CYS HA H 6 5.020 4.328 0.692 1
1 35 . 3 1 1 A 7 7 CYS HA H 7 4.890 4.308 0.582 1
1 38 . 3 1 1 A 8 8 THR H H 8 8.080 7.899 0.181 1
1 39 . 3 1 1 A 8 8 THR HA H 8 4.100 3.925 0.175 1
1 44 . 3 1 1 A 9 9 SER HA H 9 4.700 4.773 -0.073 1
1 47 . 3 1 1 A 10 10 ILE H H 10 7.810 8.347 -0.537 1
1 48 . 3 1 1 A 10 10 ILE HA H 10 4.290 4.554 -0.264 1
1 58 . 3 1 1 A 11 11 CYS HA H 11 4.930 5.033 -0.103 1
1 61 . 3 1 1 A 12 12 SER H H 12 8.240 8.163 0.077 1
1 62 . 3 1 1 A 12 12 SER HA H 12 4.620 4.880 -0.260 1
1 65 . 3 1 1 A 13 13 LEU HA H 13 3.910 3.864 0.046 1
1 75 . 3 1 1 A 14 14 TYR H H 14 7.630 7.324 0.306 1
1 76 . 3 1 1 A 14 14 TYR HA H 14 4.330 4.297 0.033 1
1 83 . 3 1 1 A 15 15 GLN H H 15 7.510 7.628 -0.118 1
1 84 . 3 1 1 A 15 15 GLN HA H 15 3.990 4.179 -0.189 1
1 89 . 3 1 1 A 16 16 LEU H H 16 7.890 8.323 -0.433 1
1 90 . 3 1 1 A 16 16 LEU HA H 16 4.160 2.670 1.490 1
1 100 . 3 1 1 A 17 17 GLU HA H 17 4.160 3.920 0.240 1
1 105 . 3 1 1 A 18 18 ASN H H 18 7.380 8.068 -0.688 1
1 106 . 3 1 1 A 18 18 ASN HA H 18 4.470 4.543 -0.073 1
1 111 . 3 1 1 A 19 19 TYR H H 19 7.950 7.706 0.244 1
1 112 . 3 1 1 A 19 19 TYR HA H 19 4.480 4.399 0.081 1
1 119 . 3 1 1 A 20 20 CYS H H 20 7.440 7.848 -0.408 1
1 120 . 3 1 1 A 20 20 CYS HA H 20 4.880 4.400 0.480 1
1 136 . 3 2 2 B 2 2 VAL HA H 2 4.030 4.602 -0.572 1
1 144 . 3 2 2 B 3 3 ASN HA H 3 4.590 5.152 -0.562 1
1 147 . 3 2 2 B 4 4 GLN HA H 4 4.470 4.781 -0.311 1
1 154 . 3 2 2 B 5 5 HIS HA H 5 4.410 4.778 -0.368 1
1 158 . 3 2 2 B 6 6 LEU HA H 6 4.580 5.107 -0.527 1
1 168 . 3 2 2 B 7 7 CYS H H 7 8.740 8.660 0.080 1
1 169 . 3 2 2 B 7 7 CYS HA H 7 4.940 4.982 -0.042 1
1 172 . 3 2 2 B 8 8 GLY HA2 H 8 4.010 3.976 0.034 1
1 173 . 3 2 2 B 8 8 GLY HA3 H 8 3.850 3.984 -0.134 1
1 174 . 3 2 2 B 9 9 SER HA H 9 4.140 4.261 -0.121 1
1 177 . 3 2 2 B 10 10 ASP H H 10 8.040 7.892 0.148 1
1 178 . 3 2 2 B 10 10 ASP HA H 10 4.450 4.558 -0.108 1
1 181 . 3 2 2 B 11 11 LEU H H 11 7.050 8.077 -1.027 1
1 182 . 3 2 2 B 11 11 LEU HA H 11 4.000 4.126 -0.126 1
1 192 . 3 2 2 B 12 12 VAL H H 12 7.050 7.308 -0.258 1
1 193 . 3 2 2 B 12 12 VAL HA H 12 3.410 3.849 -0.439 1
1 201 . 3 2 2 B 13 13 GLU H H 13 7.980 8.638 -0.658 1
1 202 . 3 2 2 B 13 13 GLU HA H 13 4.050 4.248 -0.198 1
1 207 . 3 2 2 B 14 14 ALA H H 14 7.750 7.769 -0.019 1
1 208 . 3 2 2 B 14 14 ALA HA H 14 4.110 4.188 -0.078 1
1 212 . 3 2 2 B 15 15 LEU H H 15 8.220 7.792 0.428 1
1 213 . 3 2 2 B 15 15 LEU HA H 15 3.990 4.054 -0.064 1
1 223 . 3 2 2 B 16 16 TYR H H 16 8.040 8.983 -0.943 1
1 224 . 3 2 2 B 16 16 TYR HA H 16 4.290 4.036 0.254 1
1 231 . 3 2 2 B 17 17 LEU H H 17 7.690 7.671 0.019 1
1 232 . 3 2 2 B 17 17 LEU HA H 17 4.090 3.801 0.289 1
1 242 . 3 2 2 B 18 18 VAL H H 18 8.250 8.119 0.131 1
1 243 . 3 2 2 B 18 18 VAL HA H 18 3.820 3.870 -0.050 1
1 251 . 3 2 2 B 19 19 CYS H H 19 8.680 7.873 0.807 1
1 252 . 3 2 2 B 19 19 CYS HA H 19 4.730 4.420 0.310 1
1 255 . 3 2 2 B 20 20 GLY H H 20 7.750 8.061 -0.311 1
1 256 . 3 2 2 B 20 20 GLY HA2 H 20 3.940 3.857 0.083 1
1 257 . 3 2 2 B 20 20 GLY HA3 H 20 3.790 3.890 -0.100 1
1 258 . 3 2 2 B 21 21 GLU HA H 21 4.160 4.492 -0.332 1
1 263 . 3 2 2 B 22 22 ARG H H 22 8.040 7.798 0.242 1
1 264 . 3 2 2 B 22 22 ARG HA H 22 4.260 4.405 -0.145 1
1 271 . 3 2 2 B 23 23 GLY H H 23 7.760 7.715 0.045 1
1 272 . 3 2 2 B 23 23 GLY HA2 H 23 3.930 4.148 -0.218 1
1 273 . 3 2 2 B 23 23 GLY HA3 H 23 3.800 4.194 -0.394 1
1 274 . 3 2 2 B 24 24 ALA H H 24 8.010 8.423 -0.413 1
1 275 . 3 2 2 B 24 24 ALA HA H 24 4.570 4.630 -0.060 1
1 279 . 3 2 2 B 25 25 PHE H H 25 8.240 7.389 0.851 1
1 280 . 3 2 2 B 25 25 PHE HA H 25 4.620 4.729 -0.109 1
1 287 . 3 2 2 B 26 26 TYR HA H 26 4.510 4.357 0.153 1
1 294 . 3 2 2 B 27 27 THR HA H 27 4.280 4.396 -0.116 1
1 299 . 3 2 2 B 28 28 LYS HA H 28 4.420 4.180 0.240 1
1 308 . 3 2 2 B 29 29 PRO HA H 29 4.490 4.663 -0.173 1
1 1 . 4 1 1 A 2 2 ILE HA H 2 3.820 3.867 -0.047 1
1 11 . 4 1 1 A 3 3 VAL H H 3 8.120 7.558 0.562 1
1 12 . 4 1 1 A 3 3 VAL HA H 3 3.600 4.532 -0.932 1
1 20 . 4 1 1 A 4 4 GLU HA H 4 4.090 4.053 0.037 1
1 25 . 4 1 1 A 5 5 GLN HA H 5 4.120 4.242 -0.122 1
1 32 . 4 1 1 A 6 6 CYS HA H 6 5.020 4.609 0.411 1
1 35 . 4 1 1 A 7 7 CYS HA H 7 4.890 4.200 0.690 1
1 38 . 4 1 1 A 8 8 THR H H 8 8.080 8.418 -0.338 1
1 39 . 4 1 1 A 8 8 THR HA H 8 4.100 4.378 -0.278 1
1 44 . 4 1 1 A 9 9 SER HA H 9 4.700 4.854 -0.154 1
1 47 . 4 1 1 A 10 10 ILE H H 10 7.810 8.865 -1.055 1
1 48 . 4 1 1 A 10 10 ILE HA H 10 4.290 4.527 -0.237 1
1 58 . 4 1 1 A 11 11 CYS HA H 11 4.930 4.694 0.236 1
1 61 . 4 1 1 A 12 12 SER H H 12 8.240 8.520 -0.280 1
1 62 . 4 1 1 A 12 12 SER HA H 12 4.620 4.509 0.111 1
1 65 . 4 1 1 A 13 13 LEU HA H 13 3.910 3.730 0.180 1
1 75 . 4 1 1 A 14 14 TYR H H 14 7.630 7.419 0.211 1
1 76 . 4 1 1 A 14 14 TYR HA H 14 4.330 4.384 -0.054 1
1 83 . 4 1 1 A 15 15 GLN H H 15 7.510 8.011 -0.501 1
1 84 . 4 1 1 A 15 15 GLN HA H 15 3.990 4.104 -0.114 1
1 89 . 4 1 1 A 16 16 LEU H H 16 7.890 7.883 0.007 1
1 90 . 4 1 1 A 16 16 LEU HA H 16 4.160 2.617 1.543 1
1 100 . 4 1 1 A 17 17 GLU HA H 17 4.160 3.918 0.242 1
1 105 . 4 1 1 A 18 18 ASN H H 18 7.380 7.775 -0.395 1
1 106 . 4 1 1 A 18 18 ASN HA H 18 4.470 4.530 -0.060 1
1 111 . 4 1 1 A 19 19 TYR H H 19 7.950 7.837 0.113 1
1 112 . 4 1 1 A 19 19 TYR HA H 19 4.480 4.376 0.104 1
1 119 . 4 1 1 A 20 20 CYS H H 20 7.440 8.363 -0.923 1
1 120 . 4 1 1 A 20 20 CYS HA H 20 4.880 4.338 0.542 1
1 136 . 4 2 2 B 2 2 VAL HA H 2 4.030 4.959 -0.929 1
1 144 . 4 2 2 B 3 3 ASN HA H 3 4.590 5.169 -0.579 1
1 147 . 4 2 2 B 4 4 GLN HA H 4 4.470 4.745 -0.275 1
1 154 . 4 2 2 B 5 5 HIS HA H 5 4.410 4.818 -0.408 1
1 158 . 4 2 2 B 6 6 LEU HA H 6 4.580 5.043 -0.463 1
1 168 . 4 2 2 B 7 7 CYS H H 7 8.740 8.684 0.056 1
1 169 . 4 2 2 B 7 7 CYS HA H 7 4.940 4.939 0.001 1
1 172 . 4 2 2 B 8 8 GLY HA2 H 8 4.010 3.988 0.022 1
1 173 . 4 2 2 B 8 8 GLY HA3 H 8 3.850 4.005 -0.155 1
1 174 . 4 2 2 B 9 9 SER HA H 9 4.140 4.244 -0.104 1
1 177 . 4 2 2 B 10 10 ASP H H 10 8.040 7.814 0.226 1
1 178 . 4 2 2 B 10 10 ASP HA H 10 4.450 4.496 -0.046 1
1 181 . 4 2 2 B 11 11 LEU H H 11 7.050 8.334 -1.284 1
1 182 . 4 2 2 B 11 11 LEU HA H 11 4.000 4.130 -0.130 1
1 192 . 4 2 2 B 12 12 VAL H H 12 7.050 7.317 -0.267 1
1 193 . 4 2 2 B 12 12 VAL HA H 12 3.410 3.914 -0.504 1
1 201 . 4 2 2 B 13 13 GLU H H 13 7.980 8.716 -0.736 1
1 202 . 4 2 2 B 13 13 GLU HA H 13 4.050 4.151 -0.101 1
1 207 . 4 2 2 B 14 14 ALA H H 14 7.750 7.637 0.113 1
1 208 . 4 2 2 B 14 14 ALA HA H 14 4.110 3.707 0.403 1
1 212 . 4 2 2 B 15 15 LEU H H 15 8.220 8.033 0.187 1
1 213 . 4 2 2 B 15 15 LEU HA H 15 3.990 3.952 0.038 1
1 223 . 4 2 2 B 16 16 TYR H H 16 8.040 9.084 -1.044 1
1 224 . 4 2 2 B 16 16 TYR HA H 16 4.290 4.035 0.255 1
1 231 . 4 2 2 B 17 17 LEU H H 17 7.690 7.668 0.022 1
1 232 . 4 2 2 B 17 17 LEU HA H 17 4.090 3.925 0.165 1
1 242 . 4 2 2 B 18 18 VAL H H 18 8.250 8.090 0.160 1
1 243 . 4 2 2 B 18 18 VAL HA H 18 3.820 3.878 -0.058 1
1 251 . 4 2 2 B 19 19 CYS H H 19 8.680 7.766 0.914 1
1 252 . 4 2 2 B 19 19 CYS HA H 19 4.730 4.409 0.321 1
1 255 . 4 2 2 B 20 20 GLY H H 20 7.750 8.057 -0.307 1
1 256 . 4 2 2 B 20 20 GLY HA2 H 20 3.940 3.842 0.098 1
1 257 . 4 2 2 B 20 20 GLY HA3 H 20 3.790 3.880 -0.090 1
1 258 . 4 2 2 B 21 21 GLU HA H 21 4.160 4.143 0.017 1
1 263 . 4 2 2 B 22 22 ARG H H 22 8.040 8.036 0.004 1
1 264 . 4 2 2 B 22 22 ARG HA H 22 4.260 4.518 -0.258 1
1 271 . 4 2 2 B 23 23 GLY H H 23 7.760 7.948 -0.188 1
1 272 . 4 2 2 B 23 23 GLY HA2 H 23 3.930 3.944 -0.014 1
1 273 . 4 2 2 B 23 23 GLY HA3 H 23 3.800 4.128 -0.328 1
1 274 . 4 2 2 B 24 24 ALA H H 24 8.010 7.721 0.289 1
1 275 . 4 2 2 B 24 24 ALA HA H 24 4.570 4.424 0.146 1
1 279 . 4 2 2 B 25 25 PHE H H 25 8.240 8.196 0.044 1
1 280 . 4 2 2 B 25 25 PHE HA H 25 4.620 4.191 0.429 1
1 287 . 4 2 2 B 26 26 TYR HA H 26 4.510 4.698 -0.188 1
1 294 . 4 2 2 B 27 27 THR HA H 27 4.280 4.760 -0.480 1
1 299 . 4 2 2 B 28 28 LYS HA H 28 4.420 4.335 0.085 1
1 308 . 4 2 2 B 29 29 PRO HA H 29 4.490 4.626 -0.136 1
1 1 . 5 1 1 A 2 2 ILE HA H 2 3.820 3.869 -0.049 1
1 11 . 5 1 1 A 3 3 VAL H H 3 8.120 7.437 0.683 1
1 12 . 5 1 1 A 3 3 VAL HA H 3 3.600 4.419 -0.819 1
1 20 . 5 1 1 A 4 4 GLU HA H 4 4.090 4.044 0.046 1
1 25 . 5 1 1 A 5 5 GLN HA H 5 4.120 4.384 -0.264 1
1 32 . 5 1 1 A 6 6 CYS HA H 6 5.020 4.522 0.498 1
1 35 . 5 1 1 A 7 7 CYS HA H 7 4.890 4.386 0.504 1
1 38 . 5 1 1 A 8 8 THR H H 8 8.080 7.916 0.164 1
1 39 . 5 1 1 A 8 8 THR HA H 8 4.100 4.308 -0.208 1
1 44 . 5 1 1 A 9 9 SER HA H 9 4.700 4.675 0.025 1
1 47 . 5 1 1 A 10 10 ILE H H 10 7.810 7.605 0.205 1
1 48 . 5 1 1 A 10 10 ILE HA H 10 4.290 4.719 -0.429 1
1 58 . 5 1 1 A 11 11 CYS HA H 11 4.930 4.948 -0.018 1
1 61 . 5 1 1 A 12 12 SER H H 12 8.240 8.172 0.068 1
1 62 . 5 1 1 A 12 12 SER HA H 12 4.620 4.751 -0.131 1
1 65 . 5 1 1 A 13 13 LEU HA H 13 3.910 3.838 0.072 1
1 75 . 5 1 1 A 14 14 TYR H H 14 7.630 7.313 0.317 1
1 76 . 5 1 1 A 14 14 TYR HA H 14 4.330 4.335 -0.005 1
1 83 . 5 1 1 A 15 15 GLN H H 15 7.510 7.887 -0.377 1
1 84 . 5 1 1 A 15 15 GLN HA H 15 3.990 4.125 -0.135 1
1 89 . 5 1 1 A 16 16 LEU H H 16 7.890 7.670 0.220 1
1 90 . 5 1 1 A 16 16 LEU HA H 16 4.160 3.807 0.353 1
1 100 . 5 1 1 A 17 17 GLU HA H 17 4.160 3.970 0.190 1
1 105 . 5 1 1 A 18 18 ASN H H 18 7.380 7.689 -0.309 1
1 106 . 5 1 1 A 18 18 ASN HA H 18 4.470 4.336 0.134 1
1 111 . 5 1 1 A 19 19 TYR H H 19 7.950 7.654 0.296 1
1 112 . 5 1 1 A 19 19 TYR HA H 19 4.480 4.837 -0.357 1
1 119 . 5 1 1 A 20 20 CYS H H 20 7.440 7.932 -0.492 1
1 120 . 5 1 1 A 20 20 CYS HA H 20 4.880 4.644 0.236 1
1 136 . 5 2 2 B 2 2 VAL HA H 2 4.030 4.328 -0.298 1
1 144 . 5 2 2 B 3 3 ASN HA H 3 4.590 5.290 -0.700 1
1 147 . 5 2 2 B 4 4 GLN HA H 4 4.470 4.708 -0.238 1
1 154 . 5 2 2 B 5 5 HIS HA H 5 4.410 4.913 -0.503 1
1 158 . 5 2 2 B 6 6 LEU HA H 6 4.580 4.936 -0.356 1
1 168 . 5 2 2 B 7 7 CYS H H 7 8.740 8.649 0.091 1
1 169 . 5 2 2 B 7 7 CYS HA H 7 4.940 4.913 0.027 1
1 172 . 5 2 2 B 8 8 GLY HA2 H 8 4.010 3.971 0.039 1
1 173 . 5 2 2 B 8 8 GLY HA3 H 8 3.850 3.994 -0.144 1
1 174 . 5 2 2 B 9 9 SER HA H 9 4.140 4.209 -0.069 1
1 177 . 5 2 2 B 10 10 ASP H H 10 8.040 7.810 0.230 1
1 178 . 5 2 2 B 10 10 ASP HA H 10 4.450 4.493 -0.043 1
1 181 . 5 2 2 B 11 11 LEU H H 11 7.050 8.247 -1.197 1
1 182 . 5 2 2 B 11 11 LEU HA H 11 4.000 4.034 -0.034 1
1 192 . 5 2 2 B 12 12 VAL H H 12 7.050 7.298 -0.248 1
1 193 . 5 2 2 B 12 12 VAL HA H 12 3.410 3.897 -0.487 1
1 201 . 5 2 2 B 13 13 GLU H H 13 7.980 8.460 -0.480 1
1 202 . 5 2 2 B 13 13 GLU HA H 13 4.050 4.060 -0.010 1
1 207 . 5 2 2 B 14 14 ALA H H 14 7.750 7.558 0.192 1
1 208 . 5 2 2 B 14 14 ALA HA H 14 4.110 3.795 0.315 1
1 212 . 5 2 2 B 15 15 LEU H H 15 8.220 7.785 0.435 1
1 213 . 5 2 2 B 15 15 LEU HA H 15 3.990 4.341 -0.351 1
1 223 . 5 2 2 B 16 16 TYR H H 16 8.040 9.012 -0.972 1
1 224 . 5 2 2 B 16 16 TYR HA H 16 4.290 4.322 -0.032 1
1 231 . 5 2 2 B 17 17 LEU H H 17 7.690 7.852 -0.162 1
1 232 . 5 2 2 B 17 17 LEU HA H 17 4.090 3.829 0.261 1
1 242 . 5 2 2 B 18 18 VAL H H 18 8.250 7.263 0.987 1
1 243 . 5 2 2 B 18 18 VAL HA H 18 3.820 3.944 -0.124 1
1 251 . 5 2 2 B 19 19 CYS H H 19 8.680 7.878 0.802 1
1 252 . 5 2 2 B 19 19 CYS HA H 19 4.730 4.437 0.293 1
1 255 . 5 2 2 B 20 20 GLY H H 20 7.750 7.534 0.216 1
1 256 . 5 2 2 B 20 20 GLY HA2 H 20 3.940 4.019 -0.079 1
1 257 . 5 2 2 B 20 20 GLY HA3 H 20 3.790 4.030 -0.240 1
1 258 . 5 2 2 B 21 21 GLU HA H 21 4.160 4.385 -0.225 1
1 263 . 5 2 2 B 22 22 ARG H H 22 8.040 7.932 0.108 1
1 264 . 5 2 2 B 22 22 ARG HA H 22 4.260 4.367 -0.107 1
1 271 . 5 2 2 B 23 23 GLY H H 23 7.760 7.822 -0.062 1
1 272 . 5 2 2 B 23 23 GLY HA2 H 23 3.930 4.150 -0.220 1
1 273 . 5 2 2 B 23 23 GLY HA3 H 23 3.800 4.431 -0.631 1
1 274 . 5 2 2 B 24 24 ALA H H 24 8.010 8.542 -0.532 1
1 275 . 5 2 2 B 24 24 ALA HA H 24 4.570 4.077 0.493 1
1 279 . 5 2 2 B 25 25 PHE H H 25 8.240 7.743 0.497 1
1 280 . 5 2 2 B 25 25 PHE HA H 25 4.620 4.915 -0.295 1
1 287 . 5 2 2 B 26 26 TYR HA H 26 4.510 4.511 -0.001 1
1 294 . 5 2 2 B 27 27 THR HA H 27 4.280 4.516 -0.236 1
1 299 . 5 2 2 B 28 28 LYS HA H 28 4.420 4.823 -0.403 1
1 308 . 5 2 2 B 29 29 PRO HA H 29 4.490 4.745 -0.255 1
1 1 . 6 1 1 A 2 2 ILE HA H 2 3.820 3.980 -0.160 1
1 11 . 6 1 1 A 3 3 VAL H H 3 8.120 7.500 0.620 1
1 12 . 6 1 1 A 3 3 VAL HA H 3 3.600 4.436 -0.836 1
1 20 . 6 1 1 A 4 4 GLU HA H 4 4.090 4.067 0.023 1
1 25 . 6 1 1 A 5 5 GLN HA H 5 4.120 4.377 -0.257 1
1 32 . 6 1 1 A 6 6 CYS HA H 6 5.020 4.228 0.792 1
1 35 . 6 1 1 A 7 7 CYS HA H 7 4.890 4.161 0.729 1
1 38 . 6 1 1 A 8 8 THR H H 8 8.080 7.641 0.439 1
1 39 . 6 1 1 A 8 8 THR HA H 8 4.100 4.019 0.081 1
1 44 . 6 1 1 A 9 9 SER HA H 9 4.700 4.785 -0.085 1
1 47 . 6 1 1 A 10 10 ILE H H 10 7.810 8.360 -0.550 1
1 48 . 6 1 1 A 10 10 ILE HA H 10 4.290 4.404 -0.114 1
1 58 . 6 1 1 A 11 11 CYS HA H 11 4.930 5.012 -0.082 1
1 61 . 6 1 1 A 12 12 SER H H 12 8.240 8.560 -0.320 1
1 62 . 6 1 1 A 12 12 SER HA H 12 4.620 4.518 0.102 1
1 65 . 6 1 1 A 13 13 LEU HA H 13 3.910 3.736 0.174 1
1 75 . 6 1 1 A 14 14 TYR H H 14 7.630 7.617 0.013 1
1 76 . 6 1 1 A 14 14 TYR HA H 14 4.330 4.279 0.051 1
1 83 . 6 1 1 A 15 15 GLN H H 15 7.510 7.566 -0.056 1
1 84 . 6 1 1 A 15 15 GLN HA H 15 3.990 4.169 -0.179 1
1 89 . 6 1 1 A 16 16 LEU H H 16 7.890 7.885 0.005 1
1 90 . 6 1 1 A 16 16 LEU HA H 16 4.160 2.635 1.525 1
1 100 . 6 1 1 A 17 17 GLU HA H 17 4.160 3.978 0.182 1
1 105 . 6 1 1 A 18 18 ASN H H 18 7.380 8.049 -0.669 1
1 106 . 6 1 1 A 18 18 ASN HA H 18 4.470 4.499 -0.029 1
1 111 . 6 1 1 A 19 19 TYR H H 19 7.950 7.680 0.270 1
1 112 . 6 1 1 A 19 19 TYR HA H 19 4.480 4.551 -0.071 1
1 119 . 6 1 1 A 20 20 CYS H H 20 7.440 7.472 -0.032 1
1 120 . 6 1 1 A 20 20 CYS HA H 20 4.880 4.585 0.295 1
1 136 . 6 2 2 B 2 2 VAL HA H 2 4.030 4.314 -0.284 1
1 144 . 6 2 2 B 3 3 ASN HA H 3 4.590 5.622 -1.032 1
1 147 . 6 2 2 B 4 4 GLN HA H 4 4.470 4.595 -0.125 1
1 154 . 6 2 2 B 5 5 HIS HA H 5 4.410 4.923 -0.513 1
1 158 . 6 2 2 B 6 6 LEU HA H 6 4.580 5.073 -0.493 1
1 168 . 6 2 2 B 7 7 CYS H H 7 8.740 8.654 0.086 1
1 169 . 6 2 2 B 7 7 CYS HA H 7 4.940 4.921 0.019 1
1 172 . 6 2 2 B 8 8 GLY HA2 H 8 4.010 3.957 0.053 1
1 173 . 6 2 2 B 8 8 GLY HA3 H 8 3.850 3.966 -0.116 1
1 174 . 6 2 2 B 9 9 SER HA H 9 4.140 4.174 -0.034 1
1 177 . 6 2 2 B 10 10 ASP H H 10 8.040 7.873 0.167 1
1 178 . 6 2 2 B 10 10 ASP HA H 10 4.450 4.479 -0.029 1
1 181 . 6 2 2 B 11 11 LEU H H 11 7.050 8.310 -1.260 1
1 182 . 6 2 2 B 11 11 LEU HA H 11 4.000 4.034 -0.034 1
1 192 . 6 2 2 B 12 12 VAL H H 12 7.050 7.425 -0.375 1
1 193 . 6 2 2 B 12 12 VAL HA H 12 3.410 3.929 -0.519 1
1 201 . 6 2 2 B 13 13 GLU H H 13 7.980 8.373 -0.393 1
1 202 . 6 2 2 B 13 13 GLU HA H 13 4.050 4.117 -0.067 1
1 207 . 6 2 2 B 14 14 ALA H H 14 7.750 7.525 0.225 1
1 208 . 6 2 2 B 14 14 ALA HA H 14 4.110 3.775 0.335 1
1 212 . 6 2 2 B 15 15 LEU H H 15 8.220 8.242 -0.022 1
1 213 . 6 2 2 B 15 15 LEU HA H 15 3.990 3.979 0.011 1
1 223 . 6 2 2 B 16 16 TYR H H 16 8.040 9.112 -1.072 1
1 224 . 6 2 2 B 16 16 TYR HA H 16 4.290 4.040 0.250 1
1 231 . 6 2 2 B 17 17 LEU H H 17 7.690 7.733 -0.043 1
1 232 . 6 2 2 B 17 17 LEU HA H 17 4.090 3.830 0.260 1
1 242 . 6 2 2 B 18 18 VAL H H 18 8.250 7.894 0.356 1
1 243 . 6 2 2 B 18 18 VAL HA H 18 3.820 3.910 -0.090 1
1 251 . 6 2 2 B 19 19 CYS H H 19 8.680 7.924 0.756 1
1 252 . 6 2 2 B 19 19 CYS HA H 19 4.730 4.471 0.259 1
1 255 . 6 2 2 B 20 20 GLY H H 20 7.750 7.574 0.176 1
1 256 . 6 2 2 B 20 20 GLY HA2 H 20 3.940 3.788 0.152 1
1 257 . 6 2 2 B 20 20 GLY HA3 H 20 3.790 3.880 -0.090 1
1 258 . 6 2 2 B 21 21 GLU HA H 21 4.160 4.563 -0.403 1
1 263 . 6 2 2 B 22 22 ARG H H 22 8.040 7.807 0.233 1
1 264 . 6 2 2 B 22 22 ARG HA H 22 4.260 4.538 -0.278 1
1 271 . 6 2 2 B 23 23 GLY H H 23 7.760 8.036 -0.276 1
1 272 . 6 2 2 B 23 23 GLY HA2 H 23 3.930 4.257 -0.327 1
1 273 . 6 2 2 B 23 23 GLY HA3 H 23 3.800 4.385 -0.585 1
1 274 . 6 2 2 B 24 24 ALA H H 24 8.010 8.461 -0.451 1
1 275 . 6 2 2 B 24 24 ALA HA H 24 4.570 4.151 0.419 1
1 279 . 6 2 2 B 25 25 PHE H H 25 8.240 7.747 0.493 1
1 280 . 6 2 2 B 25 25 PHE HA H 25 4.620 4.735 -0.115 1
1 287 . 6 2 2 B 26 26 TYR HA H 26 4.510 4.765 -0.255 1
1 294 . 6 2 2 B 27 27 THR HA H 27 4.280 4.317 -0.037 1
1 299 . 6 2 2 B 28 28 LYS HA H 28 4.420 4.914 -0.494 1
1 308 . 6 2 2 B 29 29 PRO HA H 29 4.490 4.812 -0.322 1
1 1 . 7 1 1 A 2 2 ILE HA H 2 3.820 3.791 0.029 1
1 11 . 7 1 1 A 3 3 VAL H H 3 8.120 7.569 0.551 1
1 12 . 7 1 1 A 3 3 VAL HA H 3 3.600 4.476 -0.876 1
1 20 . 7 1 1 A 4 4 GLU HA H 4 4.090 4.080 0.010 1
1 25 . 7 1 1 A 5 5 GLN HA H 5 4.120 4.387 -0.267 1
1 32 . 7 1 1 A 6 6 CYS HA H 6 5.020 4.262 0.758 1
1 35 . 7 1 1 A 7 7 CYS HA H 7 4.890 4.340 0.550 1
1 38 . 7 1 1 A 8 8 THR H H 8 8.080 7.780 0.300 1
1 39 . 7 1 1 A 8 8 THR HA H 8 4.100 4.422 -0.322 1
1 44 . 7 1 1 A 9 9 SER HA H 9 4.700 4.903 -0.203 1
1 47 . 7 1 1 A 10 10 ILE H H 10 7.810 8.661 -0.851 1
1 48 . 7 1 1 A 10 10 ILE HA H 10 4.290 4.749 -0.459 1
1 58 . 7 1 1 A 11 11 CYS HA H 11 4.930 5.284 -0.354 1
1 61 . 7 1 1 A 12 12 SER H H 12 8.240 8.222 0.018 1
1 62 . 7 1 1 A 12 12 SER HA H 12 4.620 4.858 -0.238 1
1 65 . 7 1 1 A 13 13 LEU HA H 13 3.910 3.819 0.091 1
1 75 . 7 1 1 A 14 14 TYR H H 14 7.630 7.616 0.014 1
1 76 . 7 1 1 A 14 14 TYR HA H 14 4.330 4.300 0.030 1
1 83 . 7 1 1 A 15 15 GLN H H 15 7.510 8.215 -0.705 1
1 84 . 7 1 1 A 15 15 GLN HA H 15 3.990 4.214 -0.224 1
1 89 . 7 1 1 A 16 16 LEU H H 16 7.890 7.544 0.346 1
1 90 . 7 1 1 A 16 16 LEU HA H 16 4.160 3.081 1.079 1
1 100 . 7 1 1 A 17 17 GLU HA H 17 4.160 4.185 -0.025 1
1 105 . 7 1 1 A 18 18 ASN H H 18 7.380 7.799 -0.419 1
1 106 . 7 1 1 A 18 18 ASN HA H 18 4.470 4.545 -0.075 1
1 111 . 7 1 1 A 19 19 TYR H H 19 7.950 7.764 0.186 1
1 112 . 7 1 1 A 19 19 TYR HA H 19 4.480 4.651 -0.171 1
1 119 . 7 1 1 A 20 20 CYS H H 20 7.440 7.584 -0.144 1
1 120 . 7 1 1 A 20 20 CYS HA H 20 4.880 4.535 0.345 1
1 136 . 7 2 2 B 2 2 VAL HA H 2 4.030 4.873 -0.843 1
1 144 . 7 2 2 B 3 3 ASN HA H 3 4.590 5.503 -0.913 1
1 147 . 7 2 2 B 4 4 GLN HA H 4 4.470 4.802 -0.332 1
1 154 . 7 2 2 B 5 5 HIS HA H 5 4.410 4.760 -0.350 1
1 158 . 7 2 2 B 6 6 LEU HA H 6 4.580 5.058 -0.478 1
1 168 . 7 2 2 B 7 7 CYS H H 7 8.740 8.744 -0.004 1
1 169 . 7 2 2 B 7 7 CYS HA H 7 4.940 4.953 -0.013 1
1 172 . 7 2 2 B 8 8 GLY HA2 H 8 4.010 3.990 0.020 1
1 173 . 7 2 2 B 8 8 GLY HA3 H 8 3.850 3.999 -0.149 1
1 174 . 7 2 2 B 9 9 SER HA H 9 4.140 4.253 -0.113 1
1 177 . 7 2 2 B 10 10 ASP H H 10 8.040 7.760 0.280 1
1 178 . 7 2 2 B 10 10 ASP HA H 10 4.450 4.587 -0.137 1
1 181 . 7 2 2 B 11 11 LEU H H 11 7.050 8.288 -1.238 1
1 182 . 7 2 2 B 11 11 LEU HA H 11 4.000 4.165 -0.165 1
1 192 . 7 2 2 B 12 12 VAL H H 12 7.050 7.367 -0.317 1
1 193 . 7 2 2 B 12 12 VAL HA H 12 3.410 3.882 -0.472 1
1 201 . 7 2 2 B 13 13 GLU H H 13 7.980 8.910 -0.930 1
1 202 . 7 2 2 B 13 13 GLU HA H 13 4.050 4.300 -0.250 1
1 207 . 7 2 2 B 14 14 ALA H H 14 7.750 7.782 -0.032 1
1 208 . 7 2 2 B 14 14 ALA HA H 14 4.110 4.256 -0.146 1
1 212 . 7 2 2 B 15 15 LEU H H 15 8.220 8.090 0.130 1
1 213 . 7 2 2 B 15 15 LEU HA H 15 3.990 3.863 0.127 1
1 223 . 7 2 2 B 16 16 TYR H H 16 8.040 9.097 -1.057 1
1 224 . 7 2 2 B 16 16 TYR HA H 16 4.290 4.002 0.288 1
1 231 . 7 2 2 B 17 17 LEU H H 17 7.690 7.695 -0.005 1
1 232 . 7 2 2 B 17 17 LEU HA H 17 4.090 3.784 0.306 1
1 242 . 7 2 2 B 18 18 VAL H H 18 8.250 7.747 0.503 1
1 243 . 7 2 2 B 18 18 VAL HA H 18 3.820 3.797 0.023 1
1 251 . 7 2 2 B 19 19 CYS H H 19 8.680 7.908 0.772 1
1 252 . 7 2 2 B 19 19 CYS HA H 19 4.730 4.299 0.431 1
1 255 . 7 2 2 B 20 20 GLY H H 20 7.750 7.920 -0.170 1
1 256 . 7 2 2 B 20 20 GLY HA2 H 20 3.940 4.008 -0.068 1
1 257 . 7 2 2 B 20 20 GLY HA3 H 20 3.790 4.032 -0.242 1
1 258 . 7 2 2 B 21 21 GLU HA H 21 4.160 4.125 0.035 1
1 263 . 7 2 2 B 22 22 ARG H H 22 8.040 8.053 -0.013 1
1 264 . 7 2 2 B 22 22 ARG HA H 22 4.260 4.546 -0.286 1
1 271 . 7 2 2 B 23 23 GLY H H 23 7.760 8.007 -0.247 1
1 272 . 7 2 2 B 23 23 GLY HA2 H 23 3.930 3.742 0.188 1
1 273 . 7 2 2 B 23 23 GLY HA3 H 23 3.800 3.882 -0.082 1
1 274 . 7 2 2 B 24 24 ALA H H 24 8.010 7.677 0.333 1
1 275 . 7 2 2 B 24 24 ALA HA H 24 4.570 4.496 0.074 1
1 279 . 7 2 2 B 25 25 PHE H H 25 8.240 6.519 1.721 1
1 280 . 7 2 2 B 25 25 PHE HA H 25 4.620 4.693 -0.073 1
1 287 . 7 2 2 B 26 26 TYR HA H 26 4.510 4.538 -0.028 1
1 294 . 7 2 2 B 27 27 THR HA H 27 4.280 4.422 -0.142 1
1 299 . 7 2 2 B 28 28 LYS HA H 28 4.420 4.193 0.227 1
1 308 . 7 2 2 B 29 29 PRO HA H 29 4.490 4.695 -0.205 1
1 1 . 8 1 1 A 2 2 ILE HA H 2 3.820 3.895 -0.075 1
1 11 . 8 1 1 A 3 3 VAL H H 3 8.120 7.508 0.612 1
1 12 . 8 1 1 A 3 3 VAL HA H 3 3.600 4.524 -0.924 1
1 20 . 8 1 1 A 4 4 GLU HA H 4 4.090 4.050 0.040 1
1 25 . 8 1 1 A 5 5 GLN HA H 5 4.120 4.368 -0.248 1
1 32 . 8 1 1 A 6 6 CYS HA H 6 5.020 4.296 0.724 1
1 35 . 8 1 1 A 7 7 CYS HA H 7 4.890 4.163 0.727 1
1 38 . 8 1 1 A 8 8 THR H H 8 8.080 7.496 0.584 1
1 39 . 8 1 1 A 8 8 THR HA H 8 4.100 4.051 0.049 1
1 44 . 8 1 1 A 9 9 SER HA H 9 4.700 4.726 -0.026 1
1 47 . 8 1 1 A 10 10 ILE H H 10 7.810 8.544 -0.734 1
1 48 . 8 1 1 A 10 10 ILE HA H 10 4.290 4.804 -0.514 1
1 58 . 8 1 1 A 11 11 CYS HA H 11 4.930 5.201 -0.271 1
1 61 . 8 1 1 A 12 12 SER H H 12 8.240 8.296 -0.056 1
1 62 . 8 1 1 A 12 12 SER HA H 12 4.620 4.653 -0.033 1
1 65 . 8 1 1 A 13 13 LEU HA H 13 3.910 3.761 0.149 1
1 75 . 8 1 1 A 14 14 TYR H H 14 7.630 7.681 -0.051 1
1 76 . 8 1 1 A 14 14 TYR HA H 14 4.330 4.391 -0.061 1
1 83 . 8 1 1 A 15 15 GLN H H 15 7.510 7.700 -0.190 1
1 84 . 8 1 1 A 15 15 GLN HA H 15 3.990 4.127 -0.137 1
1 89 . 8 1 1 A 16 16 LEU H H 16 7.890 7.597 0.293 1
1 90 . 8 1 1 A 16 16 LEU HA H 16 4.160 3.271 0.889 1
1 100 . 8 1 1 A 17 17 GLU HA H 17 4.160 3.926 0.234 1
1 105 . 8 1 1 A 18 18 ASN H H 18 7.380 7.760 -0.380 1
1 106 . 8 1 1 A 18 18 ASN HA H 18 4.470 4.427 0.043 1
1 111 . 8 1 1 A 19 19 TYR H H 19 7.950 7.584 0.366 1
1 112 . 8 1 1 A 19 19 TYR HA H 19 4.480 4.738 -0.258 1
1 119 . 8 1 1 A 20 20 CYS H H 20 7.440 8.005 -0.565 1
1 120 . 8 1 1 A 20 20 CYS HA H 20 4.880 4.946 -0.066 1
1 136 . 8 2 2 B 2 2 VAL HA H 2 4.030 4.313 -0.283 1
1 144 . 8 2 2 B 3 3 ASN HA H 3 4.590 5.286 -0.696 1
1 147 . 8 2 2 B 4 4 GLN HA H 4 4.470 4.884 -0.414 1
1 154 . 8 2 2 B 5 5 HIS HA H 5 4.410 4.910 -0.500 1
1 158 . 8 2 2 B 6 6 LEU HA H 6 4.580 4.981 -0.401 1
1 168 . 8 2 2 B 7 7 CYS H H 7 8.740 8.325 0.415 1
1 169 . 8 2 2 B 7 7 CYS HA H 7 4.940 4.894 0.046 1
1 172 . 8 2 2 B 8 8 GLY HA2 H 8 4.010 3.944 0.066 1
1 173 . 8 2 2 B 8 8 GLY HA3 H 8 3.850 3.960 -0.110 1
1 174 . 8 2 2 B 9 9 SER HA H 9 4.140 4.237 -0.097 1
1 177 . 8 2 2 B 10 10 ASP H H 10 8.040 7.968 0.072 1
1 178 . 8 2 2 B 10 10 ASP HA H 10 4.450 4.481 -0.031 1
1 181 . 8 2 2 B 11 11 LEU H H 11 7.050 8.157 -1.107 1
1 182 . 8 2 2 B 11 11 LEU HA H 11 4.000 3.989 0.011 1
1 192 . 8 2 2 B 12 12 VAL H H 12 7.050 7.292 -0.242 1
1 193 . 8 2 2 B 12 12 VAL HA H 12 3.410 3.857 -0.447 1
1 201 . 8 2 2 B 13 13 GLU H H 13 7.980 8.501 -0.521 1
1 202 . 8 2 2 B 13 13 GLU HA H 13 4.050 4.154 -0.104 1
1 207 . 8 2 2 B 14 14 ALA H H 14 7.750 7.525 0.225 1
1 208 . 8 2 2 B 14 14 ALA HA H 14 4.110 4.067 0.043 1
1 212 . 8 2 2 B 15 15 LEU H H 15 8.220 7.699 0.521 1
1 213 . 8 2 2 B 15 15 LEU HA H 15 3.990 4.286 -0.296 1
1 223 . 8 2 2 B 16 16 TYR H H 16 8.040 8.966 -0.926 1
1 224 . 8 2 2 B 16 16 TYR HA H 16 4.290 4.303 -0.013 1
1 231 . 8 2 2 B 17 17 LEU H H 17 7.690 7.765 -0.075 1
1 232 . 8 2 2 B 17 17 LEU HA H 17 4.090 3.770 0.320 1
1 242 . 8 2 2 B 18 18 VAL H H 18 8.250 7.264 0.986 1
1 243 . 8 2 2 B 18 18 VAL HA H 18 3.820 3.878 -0.058 1
1 251 . 8 2 2 B 19 19 CYS H H 19 8.680 7.860 0.820 1
1 252 . 8 2 2 B 19 19 CYS HA H 19 4.730 4.355 0.375 1
1 255 . 8 2 2 B 20 20 GLY H H 20 7.750 7.833 -0.083 1
1 256 . 8 2 2 B 20 20 GLY HA2 H 20 3.940 4.025 -0.085 1
1 257 . 8 2 2 B 20 20 GLY HA3 H 20 3.790 4.049 -0.259 1
1 258 . 8 2 2 B 21 21 GLU HA H 21 4.160 4.506 -0.346 1
1 263 . 8 2 2 B 22 22 ARG H H 22 8.040 7.909 0.131 1
1 264 . 8 2 2 B 22 22 ARG HA H 22 4.260 4.424 -0.164 1
1 271 . 8 2 2 B 23 23 GLY H H 23 7.760 7.473 0.287 1
1 272 . 8 2 2 B 23 23 GLY HA2 H 23 3.930 3.888 0.042 1
1 273 . 8 2 2 B 23 23 GLY HA3 H 23 3.800 4.002 -0.202 1
1 274 . 8 2 2 B 24 24 ALA H H 24 8.010 8.111 -0.101 1
1 275 . 8 2 2 B 24 24 ALA HA H 24 4.570 4.700 -0.130 1
1 279 . 8 2 2 B 25 25 PHE H H 25 8.240 6.968 1.272 1
1 280 . 8 2 2 B 25 25 PHE HA H 25 4.620 4.863 -0.243 1
1 287 . 8 2 2 B 26 26 TYR HA H 26 4.510 4.975 -0.465 1
1 294 . 8 2 2 B 27 27 THR HA H 27 4.280 4.655 -0.375 1
1 299 . 8 2 2 B 28 28 LYS HA H 28 4.420 4.919 -0.499 1
1 308 . 8 2 2 B 29 29 PRO HA H 29 4.490 4.784 -0.294 1
1 1 . 9 1 1 A 2 2 ILE HA H 2 3.820 4.017 -0.197 1
1 11 . 9 1 1 A 3 3 VAL H H 3 8.120 7.777 0.343 1
1 12 . 9 1 1 A 3 3 VAL HA H 3 3.600 3.979 -0.379 1
1 20 . 9 1 1 A 4 4 GLU HA H 4 4.090 4.074 0.016 1
1 25 . 9 1 1 A 5 5 GLN HA H 5 4.120 4.387 -0.267 1
1 32 . 9 1 1 A 6 6 CYS HA H 6 5.020 4.197 0.823 1
1 35 . 9 1 1 A 7 7 CYS HA H 7 4.890 4.168 0.722 1
1 38 . 9 1 1 A 8 8 THR H H 8 8.080 7.725 0.355 1
1 39 . 9 1 1 A 8 8 THR HA H 8 4.100 4.172 -0.072 1
1 44 . 9 1 1 A 9 9 SER HA H 9 4.700 4.742 -0.042 1
1 47 . 9 1 1 A 10 10 ILE H H 10 7.810 8.252 -0.442 1
1 48 . 9 1 1 A 10 10 ILE HA H 10 4.290 4.732 -0.442 1
1 58 . 9 1 1 A 11 11 CYS HA H 11 4.930 5.078 -0.148 1
1 61 . 9 1 1 A 12 12 SER H H 12 8.240 8.267 -0.027 1
1 62 . 9 1 1 A 12 12 SER HA H 12 4.620 4.318 0.302 1
1 65 . 9 1 1 A 13 13 LEU HA H 13 3.910 3.808 0.102 1
1 75 . 9 1 1 A 14 14 TYR H H 14 7.630 7.554 0.076 1
1 76 . 9 1 1 A 14 14 TYR HA H 14 4.330 4.380 -0.050 1
1 83 . 9 1 1 A 15 15 GLN H H 15 7.510 8.236 -0.726 1
1 84 . 9 1 1 A 15 15 GLN HA H 15 3.990 4.125 -0.135 1
1 89 . 9 1 1 A 16 16 LEU H H 16 7.890 7.719 0.171 1
1 90 . 9 1 1 A 16 16 LEU HA H 16 4.160 3.592 0.568 1
1 100 . 9 1 1 A 17 17 GLU HA H 17 4.160 4.087 0.073 1
1 105 . 9 1 1 A 18 18 ASN H H 18 7.380 7.451 -0.071 1
1 106 . 9 1 1 A 18 18 ASN HA H 18 4.470 4.449 0.021 1
1 111 . 9 1 1 A 19 19 TYR H H 19 7.950 7.630 0.320 1
1 112 . 9 1 1 A 19 19 TYR HA H 19 4.480 4.786 -0.306 1
1 119 . 9 1 1 A 20 20 CYS H H 20 7.440 7.725 -0.285 1
1 120 . 9 1 1 A 20 20 CYS HA H 20 4.880 4.301 0.579 1
1 136 . 9 2 2 B 2 2 VAL HA H 2 4.030 4.318 -0.288 1
1 144 . 9 2 2 B 3 3 ASN HA H 3 4.590 5.309 -0.719 1
1 147 . 9 2 2 B 4 4 GLN HA H 4 4.470 5.030 -0.560 1
1 154 . 9 2 2 B 5 5 HIS HA H 5 4.410 4.838 -0.428 1
1 158 . 9 2 2 B 6 6 LEU HA H 6 4.580 4.910 -0.330 1
1 168 . 9 2 2 B 7 7 CYS H H 7 8.740 8.300 0.440 1
1 169 . 9 2 2 B 7 7 CYS HA H 7 4.940 4.880 0.060 1
1 172 . 9 2 2 B 8 8 GLY HA2 H 8 4.010 3.953 0.057 1
1 173 . 9 2 2 B 8 8 GLY HA3 H 8 3.850 3.975 -0.125 1
1 174 . 9 2 2 B 9 9 SER HA H 9 4.140 4.259 -0.119 1
1 177 . 9 2 2 B 10 10 ASP H H 10 8.040 8.108 -0.068 1
1 178 . 9 2 2 B 10 10 ASP HA H 10 4.450 4.444 0.006 1
1 181 . 9 2 2 B 11 11 LEU H H 11 7.050 8.090 -1.040 1
1 182 . 9 2 2 B 11 11 LEU HA H 11 4.000 3.927 0.073 1
1 192 . 9 2 2 B 12 12 VAL H H 12 7.050 7.271 -0.221 1
1 193 . 9 2 2 B 12 12 VAL HA H 12 3.410 3.852 -0.442 1
1 201 . 9 2 2 B 13 13 GLU H H 13 7.980 8.801 -0.821 1
1 202 . 9 2 2 B 13 13 GLU HA H 13 4.050 4.136 -0.086 1
1 207 . 9 2 2 B 14 14 ALA H H 14 7.750 7.480 0.270 1
1 208 . 9 2 2 B 14 14 ALA HA H 14 4.110 3.402 0.708 1
1 212 . 9 2 2 B 15 15 LEU H H 15 8.220 7.893 0.327 1
1 213 . 9 2 2 B 15 15 LEU HA H 15 3.990 3.980 0.010 1
1 223 . 9 2 2 B 16 16 TYR H H 16 8.040 9.034 -0.994 1
1 224 . 9 2 2 B 16 16 TYR HA H 16 4.290 4.027 0.263 1
1 231 . 9 2 2 B 17 17 LEU H H 17 7.690 7.743 -0.053 1
1 232 . 9 2 2 B 17 17 LEU HA H 17 4.090 3.757 0.333 1
1 242 . 9 2 2 B 18 18 VAL H H 18 8.250 8.294 -0.044 1
1 243 . 9 2 2 B 18 18 VAL HA H 18 3.820 3.850 -0.030 1
1 251 . 9 2 2 B 19 19 CYS H H 19 8.680 7.790 0.890 1
1 252 . 9 2 2 B 19 19 CYS HA H 19 4.730 4.318 0.412 1
1 255 . 9 2 2 B 20 20 GLY H H 20 7.750 7.955 -0.205 1
1 256 . 9 2 2 B 20 20 GLY HA2 H 20 3.940 3.868 0.072 1
1 257 . 9 2 2 B 20 20 GLY HA3 H 20 3.790 3.938 -0.148 1
1 258 . 9 2 2 B 21 21 GLU HA H 21 4.160 4.185 -0.025 1
1 263 . 9 2 2 B 22 22 ARG H H 22 8.040 7.746 0.294 1
1 264 . 9 2 2 B 22 22 ARG HA H 22 4.260 4.286 -0.026 1
1 271 . 9 2 2 B 23 23 GLY H H 23 7.760 7.835 -0.075 1
1 272 . 9 2 2 B 23 23 GLY HA2 H 23 3.930 4.049 -0.119 1
1 273 . 9 2 2 B 23 23 GLY HA3 H 23 3.800 4.136 -0.336 1
1 274 . 9 2 2 B 24 24 ALA H H 24 8.010 8.636 -0.626 1
1 275 . 9 2 2 B 24 24 ALA HA H 24 4.570 4.273 0.297 1
1 279 . 9 2 2 B 25 25 PHE H H 25 8.240 7.146 1.094 1
1 280 . 9 2 2 B 25 25 PHE HA H 25 4.620 4.695 -0.075 1
1 287 . 9 2 2 B 26 26 TYR HA H 26 4.510 4.454 0.056 1
1 294 . 9 2 2 B 27 27 THR HA H 27 4.280 4.521 -0.241 1
1 299 . 9 2 2 B 28 28 LYS HA H 28 4.420 4.832 -0.412 1
1 308 . 9 2 2 B 29 29 PRO HA H 29 4.490 4.667 -0.177 1
1 1 . 10 1 1 A 2 2 ILE HA H 2 3.820 3.906 -0.086 1
1 11 . 10 1 1 A 3 3 VAL H H 3 8.120 7.538 0.582 1
1 12 . 10 1 1 A 3 3 VAL HA H 3 3.600 4.261 -0.661 1
1 20 . 10 1 1 A 4 4 GLU HA H 4 4.090 4.057 0.033 1
1 25 . 10 1 1 A 5 5 GLN HA H 5 4.120 4.349 -0.229 1
1 32 . 10 1 1 A 6 6 CYS HA H 6 5.020 4.691 0.329 1
1 35 . 10 1 1 A 7 7 CYS HA H 7 4.890 4.233 0.657 1
1 38 . 10 1 1 A 8 8 THR H H 8 8.080 7.844 0.236 1
1 39 . 10 1 1 A 8 8 THR HA H 8 4.100 3.898 0.202 1
1 44 . 10 1 1 A 9 9 SER HA H 9 4.700 4.790 -0.090 1
1 47 . 10 1 1 A 10 10 ILE H H 10 7.810 7.979 -0.169 1
1 48 . 10 1 1 A 10 10 ILE HA H 10 4.290 4.821 -0.531 1
1 58 . 10 1 1 A 11 11 CYS HA H 11 4.930 4.938 -0.008 1
1 61 . 10 1 1 A 12 12 SER H H 12 8.240 8.320 -0.080 1
1 62 . 10 1 1 A 12 12 SER HA H 12 4.620 4.732 -0.112 1
1 65 . 10 1 1 A 13 13 LEU HA H 13 3.910 3.857 0.053 1
1 75 . 10 1 1 A 14 14 TYR H H 14 7.630 7.563 0.067 1
1 76 . 10 1 1 A 14 14 TYR HA H 14 4.330 4.331 -0.001 1
1 83 . 10 1 1 A 15 15 GLN H H 15 7.510 7.825 -0.315 1
1 84 . 10 1 1 A 15 15 GLN HA H 15 3.990 4.140 -0.150 1
1 89 . 10 1 1 A 16 16 LEU H H 16 7.890 7.878 0.012 1
1 90 . 10 1 1 A 16 16 LEU HA H 16 4.160 3.528 0.632 1
1 100 . 10 1 1 A 17 17 GLU HA H 17 4.160 4.139 0.021 1
1 105 . 10 1 1 A 18 18 ASN H H 18 7.380 7.638 -0.258 1
1 106 . 10 1 1 A 18 18 ASN HA H 18 4.470 4.410 0.060 1
1 111 . 10 1 1 A 19 19 TYR H H 19 7.950 7.603 0.347 1
1 112 . 10 1 1 A 19 19 TYR HA H 19 4.480 4.703 -0.223 1
1 119 . 10 1 1 A 20 20 CYS H H 20 7.440 8.178 -0.738 1
1 120 . 10 1 1 A 20 20 CYS HA H 20 4.880 4.339 0.541 1
1 136 . 10 2 2 B 2 2 VAL HA H 2 4.030 4.427 -0.397 1
1 144 . 10 2 2 B 3 3 ASN HA H 3 4.590 5.217 -0.627 1
1 147 . 10 2 2 B 4 4 GLN HA H 4 4.470 4.736 -0.266 1
1 154 . 10 2 2 B 5 5 HIS HA H 5 4.410 4.735 -0.325 1
1 158 . 10 2 2 B 6 6 LEU HA H 6 4.580 5.030 -0.450 1
1 168 . 10 2 2 B 7 7 CYS H H 7 8.740 8.739 0.001 1
1 169 . 10 2 2 B 7 7 CYS HA H 7 4.940 4.841 0.099 1
1 172 . 10 2 2 B 8 8 GLY HA2 H 8 4.010 3.958 0.052 1
1 173 . 10 2 2 B 8 8 GLY HA3 H 8 3.850 3.962 -0.112 1
1 174 . 10 2 2 B 9 9 SER HA H 9 4.140 4.287 -0.147 1
1 177 . 10 2 2 B 10 10 ASP H H 10 8.040 8.355 -0.315 1
1 178 . 10 2 2 B 10 10 ASP HA H 10 4.450 4.563 -0.113 1
1 181 . 10 2 2 B 11 11 LEU H H 11 7.050 8.129 -1.079 1
1 182 . 10 2 2 B 11 11 LEU HA H 11 4.000 4.094 -0.094 1
1 192 . 10 2 2 B 12 12 VAL H H 12 7.050 7.470 -0.420 1
1 193 . 10 2 2 B 12 12 VAL HA H 12 3.410 3.971 -0.561 1
1 201 . 10 2 2 B 13 13 GLU H H 13 7.980 9.020 -1.040 1
1 202 . 10 2 2 B 13 13 GLU HA H 13 4.050 4.086 -0.036 1
1 207 . 10 2 2 B 14 14 ALA H H 14 7.750 7.738 0.012 1
1 208 . 10 2 2 B 14 14 ALA HA H 14 4.110 4.343 -0.233 1
1 212 . 10 2 2 B 15 15 LEU H H 15 8.220 7.998 0.222 1
1 213 . 10 2 2 B 15 15 LEU HA H 15 3.990 3.906 0.084 1
1 223 . 10 2 2 B 16 16 TYR H H 16 8.040 9.454 -1.414 1
1 224 . 10 2 2 B 16 16 TYR HA H 16 4.290 4.133 0.157 1
1 231 . 10 2 2 B 17 17 LEU H H 17 7.690 7.274 0.416 1
1 232 . 10 2 2 B 17 17 LEU HA H 17 4.090 3.617 0.473 1
1 242 . 10 2 2 B 18 18 VAL H H 18 8.250 7.909 0.341 1
1 243 . 10 2 2 B 18 18 VAL HA H 18 3.820 3.810 0.010 1
1 251 . 10 2 2 B 19 19 CYS H H 19 8.680 7.391 1.289 1
1 252 . 10 2 2 B 19 19 CYS HA H 19 4.730 4.374 0.356 1
1 255 . 10 2 2 B 20 20 GLY H H 20 7.750 7.763 -0.013 1
1 256 . 10 2 2 B 20 20 GLY HA2 H 20 3.940 3.888 0.052 1
1 257 . 10 2 2 B 20 20 GLY HA3 H 20 3.790 3.910 -0.120 1
1 258 . 10 2 2 B 21 21 GLU HA H 21 4.160 4.134 0.026 1
1 263 . 10 2 2 B 22 22 ARG H H 22 8.040 8.085 -0.045 1
1 264 . 10 2 2 B 22 22 ARG HA H 22 4.260 4.504 -0.244 1
1 271 . 10 2 2 B 23 23 GLY H H 23 7.760 8.126 -0.366 1
1 272 . 10 2 2 B 23 23 GLY HA2 H 23 3.930 4.038 -0.108 1
1 273 . 10 2 2 B 23 23 GLY HA3 H 23 3.800 4.059 -0.259 1
1 274 . 10 2 2 B 24 24 ALA H H 24 8.010 8.313 -0.303 1
1 275 . 10 2 2 B 24 24 ALA HA H 24 4.570 5.131 -0.561 1
1 279 . 10 2 2 B 25 25 PHE H H 25 8.240 8.631 -0.391 1
1 280 . 10 2 2 B 25 25 PHE HA H 25 4.620 4.898 -0.278 1
1 287 . 10 2 2 B 26 26 TYR HA H 26 4.510 4.365 0.145 1
1 294 . 10 2 2 B 27 27 THR HA H 27 4.280 4.564 -0.284 1
1 299 . 10 2 2 B 28 28 LYS HA H 28 4.420 4.472 -0.052 1
1 308 . 10 2 2 B 29 29 PRO HA H 29 4.490 4.689 -0.199 1
1 1 . 11 1 1 A 2 2 ILE HA H 2 3.820 4.109 -0.289 1
1 11 . 11 1 1 A 3 3 VAL H H 3 8.120 7.390 0.730 1
1 12 . 11 1 1 A 3 3 VAL HA H 3 3.600 4.348 -0.748 1
1 20 . 11 1 1 A 4 4 GLU HA H 4 4.090 4.049 0.041 1
1 25 . 11 1 1 A 5 5 GLN HA H 5 4.120 4.838 -0.718 1
1 32 . 11 1 1 A 6 6 CYS HA H 6 5.020 4.262 0.758 1
1 35 . 11 1 1 A 7 7 CYS HA H 7 4.890 4.464 0.426 1
1 38 . 11 1 1 A 8 8 THR H H 8 8.080 8.500 -0.420 1
1 39 . 11 1 1 A 8 8 THR HA H 8 4.100 4.513 -0.413 1
1 44 . 11 1 1 A 9 9 SER HA H 9 4.700 4.707 -0.007 1
1 47 . 11 1 1 A 10 10 ILE H H 10 7.810 7.694 0.116 1
1 48 . 11 1 1 A 10 10 ILE HA H 10 4.290 4.717 -0.427 1
1 58 . 11 1 1 A 11 11 CYS HA H 11 4.930 5.258 -0.328 1
1 61 . 11 1 1 A 12 12 SER H H 12 8.240 8.297 -0.057 1
1 62 . 11 1 1 A 12 12 SER HA H 12 4.620 4.736 -0.116 1
1 65 . 11 1 1 A 13 13 LEU HA H 13 3.910 3.794 0.116 1
1 75 . 11 1 1 A 14 14 TYR H H 14 7.630 7.641 -0.011 1
1 76 . 11 1 1 A 14 14 TYR HA H 14 4.330 4.377 -0.047 1
1 83 . 11 1 1 A 15 15 GLN H H 15 7.510 7.881 -0.371 1
1 84 . 11 1 1 A 15 15 GLN HA H 15 3.990 4.093 -0.103 1
1 89 . 11 1 1 A 16 16 LEU H H 16 7.890 7.965 -0.075 1
1 90 . 11 1 1 A 16 16 LEU HA H 16 4.160 3.796 0.364 1
1 100 . 11 1 1 A 17 17 GLU HA H 17 4.160 3.966 0.194 1
1 105 . 11 1 1 A 18 18 ASN H H 18 7.380 7.677 -0.297 1
1 106 . 11 1 1 A 18 18 ASN HA H 18 4.470 4.402 0.068 1
1 111 . 11 1 1 A 19 19 TYR H H 19 7.950 7.599 0.351 1
1 112 . 11 1 1 A 19 19 TYR HA H 19 4.480 4.856 -0.376 1
1 119 . 11 1 1 A 20 20 CYS H H 20 7.440 8.396 -0.956 1
1 120 . 11 1 1 A 20 20 CYS HA H 20 4.880 4.771 0.109 1
1 136 . 11 2 2 B 2 2 VAL HA H 2 4.030 4.410 -0.380 1
1 144 . 11 2 2 B 3 3 ASN HA H 3 4.590 5.371 -0.781 1
1 147 . 11 2 2 B 4 4 GLN HA H 4 4.470 4.865 -0.395 1
1 154 . 11 2 2 B 5 5 HIS HA H 5 4.410 4.739 -0.329 1
1 158 . 11 2 2 B 6 6 LEU HA H 6 4.580 4.930 -0.350 1
1 168 . 11 2 2 B 7 7 CYS H H 7 8.740 8.550 0.190 1
1 169 . 11 2 2 B 7 7 CYS HA H 7 4.940 4.763 0.177 1
1 172 . 11 2 2 B 8 8 GLY HA2 H 8 4.010 3.927 0.083 1
1 173 . 11 2 2 B 8 8 GLY HA3 H 8 3.850 3.941 -0.091 1
1 174 . 11 2 2 B 9 9 SER HA H 9 4.140 4.210 -0.070 1
1 177 . 11 2 2 B 10 10 ASP H H 10 8.040 8.056 -0.016 1
1 178 . 11 2 2 B 10 10 ASP HA H 10 4.450 4.424 0.026 1
1 181 . 11 2 2 B 11 11 LEU H H 11 7.050 8.280 -1.230 1
1 182 . 11 2 2 B 11 11 LEU HA H 11 4.000 3.819 0.181 1
1 192 . 11 2 2 B 12 12 VAL H H 12 7.050 7.138 -0.088 1
1 193 . 11 2 2 B 12 12 VAL HA H 12 3.410 3.734 -0.324 1
1 201 . 11 2 2 B 13 13 GLU H H 13 7.980 8.268 -0.288 1
1 202 . 11 2 2 B 13 13 GLU HA H 13 4.050 4.064 -0.014 1
1 207 . 11 2 2 B 14 14 ALA H H 14 7.750 7.650 0.100 1
1 208 . 11 2 2 B 14 14 ALA HA H 14 4.110 3.952 0.158 1
1 212 . 11 2 2 B 15 15 LEU H H 15 8.220 8.021 0.199 1
1 213 . 11 2 2 B 15 15 LEU HA H 15 3.990 4.199 -0.209 1
1 223 . 11 2 2 B 16 16 TYR H H 16 8.040 8.898 -0.858 1
1 224 . 11 2 2 B 16 16 TYR HA H 16 4.290 4.257 0.033 1
1 231 . 11 2 2 B 17 17 LEU H H 17 7.690 7.778 -0.088 1
1 232 . 11 2 2 B 17 17 LEU HA H 17 4.090 3.755 0.335 1
1 242 . 11 2 2 B 18 18 VAL H H 18 8.250 7.226 1.024 1
1 243 . 11 2 2 B 18 18 VAL HA H 18 3.820 3.960 -0.140 1
1 251 . 11 2 2 B 19 19 CYS H H 19 8.680 7.927 0.753 1
1 252 . 11 2 2 B 19 19 CYS HA H 19 4.730 4.390 0.340 1
1 255 . 11 2 2 B 20 20 GLY H H 20 7.750 7.975 -0.225 1
1 256 . 11 2 2 B 20 20 GLY HA2 H 20 3.940 3.801 0.139 1
1 257 . 11 2 2 B 20 20 GLY HA3 H 20 3.790 3.811 -0.021 1
1 258 . 11 2 2 B 21 21 GLU HA H 21 4.160 4.162 -0.002 1
1 263 . 11 2 2 B 22 22 ARG H H 22 8.040 8.068 -0.028 1
1 264 . 11 2 2 B 22 22 ARG HA H 22 4.260 4.535 -0.275 1
1 271 . 11 2 2 B 23 23 GLY H H 23 7.760 7.996 -0.236 1
1 272 . 11 2 2 B 23 23 GLY HA2 H 23 3.930 4.335 -0.405 1
1 273 . 11 2 2 B 23 23 GLY HA3 H 23 3.800 4.358 -0.558 1
1 274 . 11 2 2 B 24 24 ALA H H 24 8.010 8.065 -0.055 1
1 275 . 11 2 2 B 24 24 ALA HA H 24 4.570 4.059 0.511 1
1 279 . 11 2 2 B 25 25 PHE H H 25 8.240 8.193 0.047 1
1 280 . 11 2 2 B 25 25 PHE HA H 25 4.620 4.177 0.443 1
1 287 . 11 2 2 B 26 26 TYR HA H 26 4.510 4.472 0.038 1
1 294 . 11 2 2 B 27 27 THR HA H 27 4.280 4.538 -0.258 1
1 299 . 11 2 2 B 28 28 LYS HA H 28 4.420 4.838 -0.418 1
1 308 . 11 2 2 B 29 29 PRO HA H 29 4.490 4.575 -0.085 1
1 1 . 12 1 1 A 2 2 ILE HA H 2 3.820 4.033 -0.213 1
1 11 . 12 1 1 A 3 3 VAL H H 3 8.120 7.657 0.463 1
1 12 . 12 1 1 A 3 3 VAL HA H 3 3.600 4.302 -0.702 1
1 20 . 12 1 1 A 4 4 GLU HA H 4 4.090 4.073 0.017 1
1 25 . 12 1 1 A 5 5 GLN HA H 5 4.120 4.554 -0.434 1
1 32 . 12 1 1 A 6 6 CYS HA H 6 5.020 4.323 0.697 1
1 35 . 12 1 1 A 7 7 CYS HA H 7 4.890 4.643 0.247 1
1 38 . 12 1 1 A 8 8 THR H H 8 8.080 9.213 -1.133 1
1 39 . 12 1 1 A 8 8 THR HA H 8 4.100 4.463 -0.363 1
1 44 . 12 1 1 A 9 9 SER HA H 9 4.700 4.699 0.001 1
1 47 . 12 1 1 A 10 10 ILE H H 10 7.810 7.559 0.251 1
1 48 . 12 1 1 A 10 10 ILE HA H 10 4.290 4.666 -0.376 1
1 58 . 12 1 1 A 11 11 CYS HA H 11 4.930 5.005 -0.075 1
1 61 . 12 1 1 A 12 12 SER H H 12 8.240 8.345 -0.105 1
1 62 . 12 1 1 A 12 12 SER HA H 12 4.620 4.597 0.023 1
1 65 . 12 1 1 A 13 13 LEU HA H 13 3.910 3.838 0.072 1
1 75 . 12 1 1 A 14 14 TYR H H 14 7.630 7.241 0.389 1
1 76 . 12 1 1 A 14 14 TYR HA H 14 4.330 4.324 0.006 1
1 83 . 12 1 1 A 15 15 GLN H H 15 7.510 7.946 -0.436 1
1 84 . 12 1 1 A 15 15 GLN HA H 15 3.990 4.100 -0.110 1
1 89 . 12 1 1 A 16 16 LEU H H 16 7.890 7.674 0.216 1
1 90 . 12 1 1 A 16 16 LEU HA H 16 4.160 3.358 0.802 1
1 100 . 12 1 1 A 17 17 GLU HA H 17 4.160 3.923 0.237 1
1 105 . 12 1 1 A 18 18 ASN H H 18 7.380 7.540 -0.160 1
1 106 . 12 1 1 A 18 18 ASN HA H 18 4.470 4.415 0.055 1
1 111 . 12 1 1 A 19 19 TYR H H 19 7.950 7.793 0.157 1
1 112 . 12 1 1 A 19 19 TYR HA H 19 4.480 4.721 -0.241 1
1 119 . 12 1 1 A 20 20 CYS H H 20 7.440 7.933 -0.493 1
1 120 . 12 1 1 A 20 20 CYS HA H 20 4.880 4.654 0.226 1
1 136 . 12 2 2 B 2 2 VAL HA H 2 4.030 4.747 -0.717 1
1 144 . 12 2 2 B 3 3 ASN HA H 3 4.590 5.295 -0.705 1
1 147 . 12 2 2 B 4 4 GLN HA H 4 4.470 5.064 -0.594 1
1 154 . 12 2 2 B 5 5 HIS HA H 5 4.410 4.820 -0.410 1
1 158 . 12 2 2 B 6 6 LEU HA H 6 4.580 5.081 -0.501 1
1 168 . 12 2 2 B 7 7 CYS H H 7 8.740 8.696 0.044 1
1 169 . 12 2 2 B 7 7 CYS HA H 7 4.940 4.881 0.059 1
1 172 . 12 2 2 B 8 8 GLY HA2 H 8 4.010 3.944 0.066 1
1 173 . 12 2 2 B 8 8 GLY HA3 H 8 3.850 3.948 -0.098 1
1 174 . 12 2 2 B 9 9 SER HA H 9 4.140 4.160 -0.020 1
1 177 . 12 2 2 B 10 10 ASP H H 10 8.040 7.951 0.089 1
1 178 . 12 2 2 B 10 10 ASP HA H 10 4.450 4.500 -0.050 1
1 181 . 12 2 2 B 11 11 LEU H H 11 7.050 8.251 -1.201 1
1 182 . 12 2 2 B 11 11 LEU HA H 11 4.000 4.045 -0.045 1
1 192 . 12 2 2 B 12 12 VAL H H 12 7.050 7.152 -0.102 1
1 193 . 12 2 2 B 12 12 VAL HA H 12 3.410 3.770 -0.360 1
1 201 . 12 2 2 B 13 13 GLU H H 13 7.980 8.920 -0.940 1
1 202 . 12 2 2 B 13 13 GLU HA H 13 4.050 4.182 -0.132 1
1 207 . 12 2 2 B 14 14 ALA H H 14 7.750 7.862 -0.112 1
1 208 . 12 2 2 B 14 14 ALA HA H 14 4.110 4.247 -0.137 1
1 212 . 12 2 2 B 15 15 LEU H H 15 8.220 8.244 -0.024 1
1 213 . 12 2 2 B 15 15 LEU HA H 15 3.990 4.013 -0.023 1
1 223 . 12 2 2 B 16 16 TYR H H 16 8.040 8.998 -0.958 1
1 224 . 12 2 2 B 16 16 TYR HA H 16 4.290 4.280 0.010 1
1 231 . 12 2 2 B 17 17 LEU H H 17 7.690 7.696 -0.006 1
1 232 . 12 2 2 B 17 17 LEU HA H 17 4.090 3.850 0.240 1
1 242 . 12 2 2 B 18 18 VAL H H 18 8.250 7.200 1.050 1
1 243 . 12 2 2 B 18 18 VAL HA H 18 3.820 3.846 -0.026 1
1 251 . 12 2 2 B 19 19 CYS H H 19 8.680 7.799 0.881 1
1 252 . 12 2 2 B 19 19 CYS HA H 19 4.730 4.436 0.294 1
1 255 . 12 2 2 B 20 20 GLY H H 20 7.750 7.781 -0.031 1
1 256 . 12 2 2 B 20 20 GLY HA2 H 20 3.940 3.933 0.007 1
1 257 . 12 2 2 B 20 20 GLY HA3 H 20 3.790 3.974 -0.184 1
1 258 . 12 2 2 B 21 21 GLU HA H 21 4.160 4.611 -0.451 1
1 263 . 12 2 2 B 22 22 ARG H H 22 8.040 7.851 0.189 1
1 264 . 12 2 2 B 22 22 ARG HA H 22 4.260 4.399 -0.139 1
1 271 . 12 2 2 B 23 23 GLY H H 23 7.760 8.054 -0.294 1
1 272 . 12 2 2 B 23 23 GLY HA2 H 23 3.930 4.140 -0.210 1
1 273 . 12 2 2 B 23 23 GLY HA3 H 23 3.800 4.144 -0.344 1
1 274 . 12 2 2 B 24 24 ALA H H 24 8.010 8.478 -0.468 1
1 275 . 12 2 2 B 24 24 ALA HA H 24 4.570 4.739 -0.169 1
1 279 . 12 2 2 B 25 25 PHE H H 25 8.240 8.328 -0.088 1
1 280 . 12 2 2 B 25 25 PHE HA H 25 4.620 4.779 -0.159 1
1 287 . 12 2 2 B 26 26 TYR HA H 26 4.510 4.819 -0.309 1
1 294 . 12 2 2 B 27 27 THR HA H 27 4.280 4.685 -0.405 1
1 299 . 12 2 2 B 28 28 LYS HA H 28 4.420 4.267 0.153 1
1 308 . 12 2 2 B 29 29 PRO HA H 29 4.490 4.681 -0.191 1
1 1 . 13 1 1 A 2 2 ILE HA H 2 3.820 3.924 -0.104 1
1 11 . 13 1 1 A 3 3 VAL H H 3 8.120 7.457 0.663 1
1 12 . 13 1 1 A 3 3 VAL HA H 3 3.600 4.545 -0.945 1
1 20 . 13 1 1 A 4 4 GLU HA H 4 4.090 4.056 0.034 1
1 25 . 13 1 1 A 5 5 GLN HA H 5 4.120 4.324 -0.204 1
1 32 . 13 1 1 A 6 6 CYS HA H 6 5.020 4.226 0.794 1
1 35 . 13 1 1 A 7 7 CYS HA H 7 4.890 4.171 0.719 1
1 38 . 13 1 1 A 8 8 THR H H 8 8.080 7.907 0.173 1
1 39 . 13 1 1 A 8 8 THR HA H 8 4.100 3.912 0.188 1
1 44 . 13 1 1 A 9 9 SER HA H 9 4.700 4.693 0.007 1
1 47 . 13 1 1 A 10 10 ILE H H 10 7.810 7.763 0.047 1
1 48 . 13 1 1 A 10 10 ILE HA H 10 4.290 4.754 -0.464 1
1 58 . 13 1 1 A 11 11 CYS HA H 11 4.930 5.066 -0.136 1
1 61 . 13 1 1 A 12 12 SER H H 12 8.240 8.582 -0.342 1
1 62 . 13 1 1 A 12 12 SER HA H 12 4.620 4.537 0.083 1
1 65 . 13 1 1 A 13 13 LEU HA H 13 3.910 3.728 0.182 1
1 75 . 13 1 1 A 14 14 TYR H H 14 7.630 7.517 0.113 1
1 76 . 13 1 1 A 14 14 TYR HA H 14 4.330 4.389 -0.059 1
1 83 . 13 1 1 A 15 15 GLN H H 15 7.510 7.741 -0.231 1
1 84 . 13 1 1 A 15 15 GLN HA H 15 3.990 4.082 -0.092 1
1 89 . 13 1 1 A 16 16 LEU H H 16 7.890 7.719 0.171 1
1 90 . 13 1 1 A 16 16 LEU HA H 16 4.160 2.575 1.585 1
1 100 . 13 1 1 A 17 17 GLU HA H 17 4.160 3.874 0.286 1
1 105 . 13 1 1 A 18 18 ASN H H 18 7.380 7.742 -0.362 1
1 106 . 13 1 1 A 18 18 ASN HA H 18 4.470 4.469 0.001 1
1 111 . 13 1 1 A 19 19 TYR H H 19 7.950 7.956 -0.006 1
1 112 . 13 1 1 A 19 19 TYR HA H 19 4.480 4.250 0.230 1
1 119 . 13 1 1 A 20 20 CYS H H 20 7.440 7.770 -0.330 1
1 120 . 13 1 1 A 20 20 CYS HA H 20 4.880 4.575 0.305 1
1 136 . 13 2 2 B 2 2 VAL HA H 2 4.030 4.431 -0.401 1
1 144 . 13 2 2 B 3 3 ASN HA H 3 4.590 5.052 -0.462 1
1 147 . 13 2 2 B 4 4 GLN HA H 4 4.470 4.743 -0.273 1
1 154 . 13 2 2 B 5 5 HIS HA H 5 4.410 4.817 -0.407 1
1 158 . 13 2 2 B 6 6 LEU HA H 6 4.580 5.020 -0.440 1
1 168 . 13 2 2 B 7 7 CYS H H 7 8.740 8.619 0.121 1
1 169 . 13 2 2 B 7 7 CYS HA H 7 4.940 4.915 0.025 1
1 172 . 13 2 2 B 8 8 GLY HA2 H 8 4.010 3.857 0.153 1
1 173 . 13 2 2 B 8 8 GLY HA3 H 8 3.850 3.900 -0.050 1
1 174 . 13 2 2 B 9 9 SER HA H 9 4.140 4.229 -0.089 1
1 177 . 13 2 2 B 10 10 ASP H H 10 8.040 7.466 0.574 1
1 178 . 13 2 2 B 10 10 ASP HA H 10 4.450 4.485 -0.035 1
1 181 . 13 2 2 B 11 11 LEU H H 11 7.050 7.832 -0.782 1
1 182 . 13 2 2 B 11 11 LEU HA H 11 4.000 4.007 -0.007 1
1 192 . 13 2 2 B 12 12 VAL H H 12 7.050 7.320 -0.270 1
1 193 . 13 2 2 B 12 12 VAL HA H 12 3.410 3.874 -0.464 1
1 201 . 13 2 2 B 13 13 GLU H H 13 7.980 8.184 -0.204 1
1 202 . 13 2 2 B 13 13 GLU HA H 13 4.050 4.149 -0.099 1
1 207 . 13 2 2 B 14 14 ALA H H 14 7.750 7.461 0.289 1
1 208 . 13 2 2 B 14 14 ALA HA H 14 4.110 4.282 -0.172 1
1 212 . 13 2 2 B 15 15 LEU H H 15 8.220 8.206 0.014 1
1 213 . 13 2 2 B 15 15 LEU HA H 15 3.990 3.967 0.023 1
1 223 . 13 2 2 B 16 16 TYR H H 16 8.040 9.232 -1.192 1
1 224 . 13 2 2 B 16 16 TYR HA H 16 4.290 4.133 0.157 1
1 231 . 13 2 2 B 17 17 LEU H H 17 7.690 7.453 0.237 1
1 232 . 13 2 2 B 17 17 LEU HA H 17 4.090 3.922 0.168 1
1 242 . 13 2 2 B 18 18 VAL H H 18 8.250 8.318 -0.068 1
1 243 . 13 2 2 B 18 18 VAL HA H 18 3.820 3.797 0.023 1
1 251 . 13 2 2 B 19 19 CYS H H 19 8.680 7.938 0.742 1
1 252 . 13 2 2 B 19 19 CYS HA H 19 4.730 4.414 0.316 1
1 255 . 13 2 2 B 20 20 GLY H H 20 7.750 7.846 -0.096 1
1 256 . 13 2 2 B 20 20 GLY HA2 H 20 3.940 4.077 -0.137 1
1 257 . 13 2 2 B 20 20 GLY HA3 H 20 3.790 4.080 -0.290 1
1 258 . 13 2 2 B 21 21 GLU HA H 21 4.160 4.521 -0.361 1
1 263 . 13 2 2 B 22 22 ARG H H 22 8.040 7.741 0.299 1
1 264 . 13 2 2 B 22 22 ARG HA H 22 4.260 4.488 -0.228 1
1 271 . 13 2 2 B 23 23 GLY H H 23 7.760 8.019 -0.259 1
1 272 . 13 2 2 B 23 23 GLY HA2 H 23 3.930 4.115 -0.185 1
1 273 . 13 2 2 B 23 23 GLY HA3 H 23 3.800 4.117 -0.317 1
1 274 . 13 2 2 B 24 24 ALA H H 24 8.010 8.606 -0.596 1
1 275 . 13 2 2 B 24 24 ALA HA H 24 4.570 4.692 -0.122 1
1 279 . 13 2 2 B 25 25 PHE H H 25 8.240 7.829 0.411 1
1 280 . 13 2 2 B 25 25 PHE HA H 25 4.620 5.648 -1.028 1
1 287 . 13 2 2 B 26 26 TYR HA H 26 4.510 4.948 -0.438 1
1 294 . 13 2 2 B 27 27 THR HA H 27 4.280 5.077 -0.797 1
1 299 . 13 2 2 B 28 28 LYS HA H 28 4.420 4.797 -0.377 1
1 308 . 13 2 2 B 29 29 PRO HA H 29 4.490 4.677 -0.187 1
1 1 . 14 1 1 A 2 2 ILE HA H 2 3.820 3.745 0.075 1
1 11 . 14 1 1 A 3 3 VAL H H 3 8.120 7.460 0.660 1
1 12 . 14 1 1 A 3 3 VAL HA H 3 3.600 4.276 -0.676 1
1 20 . 14 1 1 A 4 4 GLU HA H 4 4.090 4.073 0.017 1
1 25 . 14 1 1 A 5 5 GLN HA H 5 4.120 4.344 -0.224 1
1 32 . 14 1 1 A 6 6 CYS HA H 6 5.020 4.318 0.702 1
1 35 . 14 1 1 A 7 7 CYS HA H 7 4.890 4.308 0.582 1
1 38 . 14 1 1 A 8 8 THR H H 8 8.080 7.913 0.167 1
1 39 . 14 1 1 A 8 8 THR HA H 8 4.100 3.959 0.141 1
1 44 . 14 1 1 A 9 9 SER HA H 9 4.700 4.701 -0.001 1
1 47 . 14 1 1 A 10 10 ILE H H 10 7.810 8.520 -0.710 1
1 48 . 14 1 1 A 10 10 ILE HA H 10 4.290 4.716 -0.426 1
1 58 . 14 1 1 A 11 11 CYS HA H 11 4.930 5.125 -0.195 1
1 61 . 14 1 1 A 12 12 SER H H 12 8.240 8.617 -0.377 1
1 62 . 14 1 1 A 12 12 SER HA H 12 4.620 4.561 0.059 1
1 65 . 14 1 1 A 13 13 LEU HA H 13 3.910 3.812 0.098 1
1 75 . 14 1 1 A 14 14 TYR H H 14 7.630 7.330 0.300 1
1 76 . 14 1 1 A 14 14 TYR HA H 14 4.330 4.324 0.006 1
1 83 . 14 1 1 A 15 15 GLN H H 15 7.510 7.719 -0.209 1
1 84 . 14 1 1 A 15 15 GLN HA H 15 3.990 4.129 -0.139 1
1 89 . 14 1 1 A 16 16 LEU H H 16 7.890 7.378 0.512 1
1 90 . 14 1 1 A 16 16 LEU HA H 16 4.160 2.465 1.695 1
1 100 . 14 1 1 A 17 17 GLU HA H 17 4.160 4.001 0.159 1
1 105 . 14 1 1 A 18 18 ASN H H 18 7.380 7.932 -0.552 1
1 106 . 14 1 1 A 18 18 ASN HA H 18 4.470 4.630 -0.160 1
1 111 . 14 1 1 A 19 19 TYR H H 19 7.950 7.977 -0.027 1
1 112 . 14 1 1 A 19 19 TYR HA H 19 4.480 4.491 -0.011 1
1 119 . 14 1 1 A 20 20 CYS H H 20 7.440 7.596 -0.156 1
1 120 . 14 1 1 A 20 20 CYS HA H 20 4.880 4.513 0.367 1
1 136 . 14 2 2 B 2 2 VAL HA H 2 4.030 4.535 -0.505 1
1 144 . 14 2 2 B 3 3 ASN HA H 3 4.590 5.343 -0.753 1
1 147 . 14 2 2 B 4 4 GLN HA H 4 4.470 4.823 -0.353 1
1 154 . 14 2 2 B 5 5 HIS HA H 5 4.410 4.773 -0.363 1
1 158 . 14 2 2 B 6 6 LEU HA H 6 4.580 4.991 -0.411 1
1 168 . 14 2 2 B 7 7 CYS H H 7 8.740 8.738 0.002 1
1 169 . 14 2 2 B 7 7 CYS HA H 7 4.940 4.894 0.046 1
1 172 . 14 2 2 B 8 8 GLY HA2 H 8 4.010 3.951 0.059 1
1 173 . 14 2 2 B 8 8 GLY HA3 H 8 3.850 3.972 -0.122 1
1 174 . 14 2 2 B 9 9 SER HA H 9 4.140 4.187 -0.047 1
1 177 . 14 2 2 B 10 10 ASP H H 10 8.040 7.889 0.151 1
1 178 . 14 2 2 B 10 10 ASP HA H 10 4.450 4.498 -0.048 1
1 181 . 14 2 2 B 11 11 LEU H H 11 7.050 8.243 -1.193 1
1 182 . 14 2 2 B 11 11 LEU HA H 11 4.000 4.153 -0.153 1
1 192 . 14 2 2 B 12 12 VAL H H 12 7.050 7.312 -0.262 1
1 193 . 14 2 2 B 12 12 VAL HA H 12 3.410 3.839 -0.429 1
1 201 . 14 2 2 B 13 13 GLU H H 13 7.980 8.200 -0.220 1
1 202 . 14 2 2 B 13 13 GLU HA H 13 4.050 4.144 -0.094 1
1 207 . 14 2 2 B 14 14 ALA H H 14 7.750 7.527 0.223 1
1 208 . 14 2 2 B 14 14 ALA HA H 14 4.110 4.001 0.109 1
1 212 . 14 2 2 B 15 15 LEU H H 15 8.220 8.462 -0.242 1
1 213 . 14 2 2 B 15 15 LEU HA H 15 3.990 4.158 -0.168 1
1 223 . 14 2 2 B 16 16 TYR H H 16 8.040 9.109 -1.069 1
1 224 . 14 2 2 B 16 16 TYR HA H 16 4.290 4.303 -0.013 1
1 231 . 14 2 2 B 17 17 LEU H H 17 7.690 7.813 -0.123 1
1 232 . 14 2 2 B 17 17 LEU HA H 17 4.090 3.891 0.199 1
1 242 . 14 2 2 B 18 18 VAL H H 18 8.250 7.491 0.759 1
1 243 . 14 2 2 B 18 18 VAL HA H 18 3.820 3.915 -0.095 1
1 251 . 14 2 2 B 19 19 CYS H H 19 8.680 7.440 1.240 1
1 252 . 14 2 2 B 19 19 CYS HA H 19 4.730 4.446 0.284 1
1 255 . 14 2 2 B 20 20 GLY H H 20 7.750 7.584 0.166 1
1 256 . 14 2 2 B 20 20 GLY HA2 H 20 3.940 3.964 -0.024 1
1 257 . 14 2 2 B 20 20 GLY HA3 H 20 3.790 4.011 -0.221 1
1 258 . 14 2 2 B 21 21 GLU HA H 21 4.160 4.570 -0.410 1
1 263 . 14 2 2 B 22 22 ARG H H 22 8.040 8.062 -0.022 1
1 264 . 14 2 2 B 22 22 ARG HA H 22 4.260 4.271 -0.011 1
1 271 . 14 2 2 B 23 23 GLY H H 23 7.760 7.518 0.242 1
1 272 . 14 2 2 B 23 23 GLY HA2 H 23 3.930 4.128 -0.198 1
1 273 . 14 2 2 B 23 23 GLY HA3 H 23 3.800 4.143 -0.343 1
1 274 . 14 2 2 B 24 24 ALA H H 24 8.010 8.364 -0.354 1
1 275 . 14 2 2 B 24 24 ALA HA H 24 4.570 5.009 -0.439 1
1 279 . 14 2 2 B 25 25 PHE H H 25 8.240 8.752 -0.512 1
1 280 . 14 2 2 B 25 25 PHE HA H 25 4.620 5.002 -0.382 1
1 287 . 14 2 2 B 26 26 TYR HA H 26 4.510 4.291 0.219 1
1 294 . 14 2 2 B 27 27 THR HA H 27 4.280 4.420 -0.140 1
1 299 . 14 2 2 B 28 28 LYS HA H 28 4.420 4.994 -0.574 1
1 308 . 14 2 2 B 29 29 PRO HA H 29 4.490 4.580 -0.090 1
1 1 . 15 1 1 A 2 2 ILE HA H 2 3.820 3.686 0.134 1
1 11 . 15 1 1 A 3 3 VAL H H 3 8.120 7.559 0.561 1
1 12 . 15 1 1 A 3 3 VAL HA H 3 3.600 4.325 -0.725 1
1 20 . 15 1 1 A 4 4 GLU HA H 4 4.090 4.084 0.006 1
1 25 . 15 1 1 A 5 5 GLN HA H 5 4.120 4.344 -0.224 1
1 32 . 15 1 1 A 6 6 CYS HA H 6 5.020 4.265 0.755 1
1 35 . 15 1 1 A 7 7 CYS HA H 7 4.890 4.478 0.412 1
1 38 . 15 1 1 A 8 8 THR H H 8 8.080 8.466 -0.386 1
1 39 . 15 1 1 A 8 8 THR HA H 8 4.100 4.286 -0.186 1
1 44 . 15 1 1 A 9 9 SER HA H 9 4.700 4.655 0.045 1
1 47 . 15 1 1 A 10 10 ILE H H 10 7.810 7.855 -0.045 1
1 48 . 15 1 1 A 10 10 ILE HA H 10 4.290 4.782 -0.492 1
1 58 . 15 1 1 A 11 11 CYS HA H 11 4.930 5.009 -0.079 1
1 61 . 15 1 1 A 12 12 SER H H 12 8.240 8.251 -0.011 1
1 62 . 15 1 1 A 12 12 SER HA H 12 4.620 4.881 -0.261 1
1 65 . 15 1 1 A 13 13 LEU HA H 13 3.910 3.837 0.073 1
1 75 . 15 1 1 A 14 14 TYR H H 14 7.630 7.603 0.027 1
1 76 . 15 1 1 A 14 14 TYR HA H 14 4.330 4.374 -0.044 1
1 83 . 15 1 1 A 15 15 GLN H H 15 7.510 8.317 -0.807 1
1 84 . 15 1 1 A 15 15 GLN HA H 15 3.990 4.208 -0.218 1
1 89 . 15 1 1 A 16 16 LEU H H 16 7.890 7.640 0.250 1
1 90 . 15 1 1 A 16 16 LEU HA H 16 4.160 3.264 0.896 1
1 100 . 15 1 1 A 17 17 GLU HA H 17 4.160 4.113 0.047 1
1 105 . 15 1 1 A 18 18 ASN H H 18 7.380 7.511 -0.131 1
1 106 . 15 1 1 A 18 18 ASN HA H 18 4.470 4.519 -0.049 1
1 111 . 15 1 1 A 19 19 TYR H H 19 7.950 7.894 0.056 1
1 112 . 15 1 1 A 19 19 TYR HA H 19 4.480 4.743 -0.263 1
1 119 . 15 1 1 A 20 20 CYS H H 20 7.440 7.967 -0.527 1
1 120 . 15 1 1 A 20 20 CYS HA H 20 4.880 4.789 0.091 1
1 136 . 15 2 2 B 2 2 VAL HA H 2 4.030 4.307 -0.277 1
1 144 . 15 2 2 B 3 3 ASN HA H 3 4.590 5.151 -0.561 1
1 147 . 15 2 2 B 4 4 GLN HA H 4 4.470 4.772 -0.302 1
1 154 . 15 2 2 B 5 5 HIS HA H 5 4.410 4.877 -0.467 1
1 158 . 15 2 2 B 6 6 LEU HA H 6 4.580 5.100 -0.520 1
1 168 . 15 2 2 B 7 7 CYS H H 7 8.740 8.739 0.001 1
1 169 . 15 2 2 B 7 7 CYS HA H 7 4.940 4.954 -0.014 1
1 172 . 15 2 2 B 8 8 GLY HA2 H 8 4.010 4.006 0.004 1
1 173 . 15 2 2 B 8 8 GLY HA3 H 8 3.850 4.037 -0.187 1
1 174 . 15 2 2 B 9 9 SER HA H 9 4.140 4.285 -0.145 1
1 177 . 15 2 2 B 10 10 ASP H H 10 8.040 7.969 0.071 1
1 178 . 15 2 2 B 10 10 ASP HA H 10 4.450 4.614 -0.164 1
1 181 . 15 2 2 B 11 11 LEU H H 11 7.050 8.067 -1.017 1
1 182 . 15 2 2 B 11 11 LEU HA H 11 4.000 4.150 -0.150 1
1 192 . 15 2 2 B 12 12 VAL H H 12 7.050 7.402 -0.352 1
1 193 . 15 2 2 B 12 12 VAL HA H 12 3.410 3.914 -0.504 1
1 201 . 15 2 2 B 13 13 GLU H H 13 7.980 8.749 -0.769 1
1 202 . 15 2 2 B 13 13 GLU HA H 13 4.050 4.293 -0.243 1
1 207 . 15 2 2 B 14 14 ALA H H 14 7.750 7.804 -0.054 1
1 208 . 15 2 2 B 14 14 ALA HA H 14 4.110 4.061 0.049 1
1 212 . 15 2 2 B 15 15 LEU H H 15 8.220 7.897 0.323 1
1 213 . 15 2 2 B 15 15 LEU HA H 15 3.990 3.844 0.146 1
1 223 . 15 2 2 B 16 16 TYR H H 16 8.040 9.058 -1.018 1
1 224 . 15 2 2 B 16 16 TYR HA H 16 4.290 4.026 0.264 1
1 231 . 15 2 2 B 17 17 LEU H H 17 7.690 7.591 0.099 1
1 232 . 15 2 2 B 17 17 LEU HA H 17 4.090 3.869 0.221 1
1 242 . 15 2 2 B 18 18 VAL H H 18 8.250 7.858 0.392 1
1 243 . 15 2 2 B 18 18 VAL HA H 18 3.820 3.814 0.006 1
1 251 . 15 2 2 B 19 19 CYS H H 19 8.680 7.771 0.909 1
1 252 . 15 2 2 B 19 19 CYS HA H 19 4.730 4.430 0.300 1
1 255 . 15 2 2 B 20 20 GLY H H 20 7.750 8.030 -0.280 1
1 256 . 15 2 2 B 20 20 GLY HA2 H 20 3.940 3.961 -0.021 1
1 257 . 15 2 2 B 20 20 GLY HA3 H 20 3.790 3.963 -0.173 1
1 258 . 15 2 2 B 21 21 GLU HA H 21 4.160 4.536 -0.376 1
1 263 . 15 2 2 B 22 22 ARG H H 22 8.040 7.837 0.203 1
1 264 . 15 2 2 B 22 22 ARG HA H 22 4.260 4.300 -0.040 1
1 271 . 15 2 2 B 23 23 GLY H H 23 7.760 7.423 0.337 1
1 272 . 15 2 2 B 23 23 GLY HA2 H 23 3.930 3.885 0.045 1
1 273 . 15 2 2 B 23 23 GLY HA3 H 23 3.800 3.955 -0.155 1
1 274 . 15 2 2 B 24 24 ALA H H 24 8.010 7.564 0.446 1
1 275 . 15 2 2 B 24 24 ALA HA H 24 4.570 4.315 0.255 1
1 279 . 15 2 2 B 25 25 PHE H H 25 8.240 7.711 0.529 1
1 280 . 15 2 2 B 25 25 PHE HA H 25 4.620 4.342 0.278 1
1 287 . 15 2 2 B 26 26 TYR HA H 26 4.510 4.853 -0.343 1
1 294 . 15 2 2 B 27 27 THR HA H 27 4.280 4.223 0.057 1
1 299 . 15 2 2 B 28 28 LYS HA H 28 4.420 5.073 -0.653 1
1 308 . 15 2 2 B 29 29 PRO HA H 29 4.490 4.630 -0.140 1
1 1 . 16 1 1 A 2 2 ILE HA H 2 3.820 3.661 0.159 1
1 11 . 16 1 1 A 3 3 VAL H H 3 8.120 7.506 0.614 1
1 12 . 16 1 1 A 3 3 VAL HA H 3 3.600 4.494 -0.894 1
1 20 . 16 1 1 A 4 4 GLU HA H 4 4.090 4.072 0.018 1
1 25 . 16 1 1 A 5 5 GLN HA H 5 4.120 4.392 -0.272 1
1 32 . 16 1 1 A 6 6 CYS HA H 6 5.020 4.563 0.457 1
1 35 . 16 1 1 A 7 7 CYS HA H 7 4.890 4.438 0.452 1
1 38 . 16 1 1 A 8 8 THR H H 8 8.080 7.750 0.330 1
1 39 . 16 1 1 A 8 8 THR HA H 8 4.100 4.026 0.074 1
1 44 . 16 1 1 A 9 9 SER HA H 9 4.700 4.780 -0.080 1
1 47 . 16 1 1 A 10 10 ILE H H 10 7.810 7.949 -0.139 1
1 48 . 16 1 1 A 10 10 ILE HA H 10 4.290 4.804 -0.514 1
1 58 . 16 1 1 A 11 11 CYS HA H 11 4.930 4.932 -0.002 1
1 61 . 16 1 1 A 12 12 SER H H 12 8.240 8.237 0.003 1
1 62 . 16 1 1 A 12 12 SER HA H 12 4.620 4.820 -0.200 1
1 65 . 16 1 1 A 13 13 LEU HA H 13 3.910 3.822 0.088 1
1 75 . 16 1 1 A 14 14 TYR H H 14 7.630 7.523 0.107 1
1 76 . 16 1 1 A 14 14 TYR HA H 14 4.330 4.343 -0.013 1
1 83 . 16 1 1 A 15 15 GLN H H 15 7.510 8.166 -0.656 1
1 84 . 16 1 1 A 15 15 GLN HA H 15 3.990 4.164 -0.174 1
1 89 . 16 1 1 A 16 16 LEU H H 16 7.890 7.615 0.275 1
1 90 . 16 1 1 A 16 16 LEU HA H 16 4.160 2.715 1.445 1
1 100 . 16 1 1 A 17 17 GLU HA H 17 4.160 4.156 0.004 1
1 105 . 16 1 1 A 18 18 ASN H H 18 7.380 7.772 -0.392 1
1 106 . 16 1 1 A 18 18 ASN HA H 18 4.470 4.470 0.000 1
1 111 . 16 1 1 A 19 19 TYR H H 19 7.950 7.968 -0.018 1
1 112 . 16 1 1 A 19 19 TYR HA H 19 4.480 4.374 0.106 1
1 119 . 16 1 1 A 20 20 CYS H H 20 7.440 8.300 -0.860 1
1 120 . 16 1 1 A 20 20 CYS HA H 20 4.880 4.200 0.680 1
1 136 . 16 2 2 B 2 2 VAL HA H 2 4.030 4.329 -0.299 1
1 144 . 16 2 2 B 3 3 ASN HA H 3 4.590 5.326 -0.736 1
1 147 . 16 2 2 B 4 4 GLN HA H 4 4.470 4.815 -0.345 1
1 154 . 16 2 2 B 5 5 HIS HA H 5 4.410 4.800 -0.390 1
1 158 . 16 2 2 B 6 6 LEU HA H 6 4.580 5.027 -0.447 1
1 168 . 16 2 2 B 7 7 CYS H H 7 8.740 8.722 0.018 1
1 169 . 16 2 2 B 7 7 CYS HA H 7 4.940 4.854 0.086 1
1 172 . 16 2 2 B 8 8 GLY HA2 H 8 4.010 3.948 0.062 1
1 173 . 16 2 2 B 8 8 GLY HA3 H 8 3.850 3.960 -0.110 1
1 174 . 16 2 2 B 9 9 SER HA H 9 4.140 4.225 -0.085 1
1 177 . 16 2 2 B 10 10 ASP H H 10 8.040 8.435 -0.395 1
1 178 . 16 2 2 B 10 10 ASP HA H 10 4.450 4.596 -0.146 1
1 181 . 16 2 2 B 11 11 LEU H H 11 7.050 8.365 -1.315 1
1 182 . 16 2 2 B 11 11 LEU HA H 11 4.000 4.145 -0.145 1
1 192 . 16 2 2 B 12 12 VAL H H 12 7.050 7.316 -0.266 1
1 193 . 16 2 2 B 12 12 VAL HA H 12 3.410 3.912 -0.502 1
1 201 . 16 2 2 B 13 13 GLU H H 13 7.980 8.937 -0.957 1
1 202 . 16 2 2 B 13 13 GLU HA H 13 4.050 4.173 -0.123 1
1 207 . 16 2 2 B 14 14 ALA H H 14 7.750 7.990 -0.240 1
1 208 . 16 2 2 B 14 14 ALA HA H 14 4.110 3.832 0.278 1
1 212 . 16 2 2 B 15 15 LEU H H 15 8.220 8.095 0.125 1
1 213 . 16 2 2 B 15 15 LEU HA H 15 3.990 3.840 0.150 1
1 223 . 16 2 2 B 16 16 TYR H H 16 8.040 9.145 -1.105 1
1 224 . 16 2 2 B 16 16 TYR HA H 16 4.290 4.051 0.239 1
1 231 . 16 2 2 B 17 17 LEU H H 17 7.690 7.751 -0.061 1
1 232 . 16 2 2 B 17 17 LEU HA H 17 4.090 3.845 0.245 1
1 242 . 16 2 2 B 18 18 VAL H H 18 8.250 7.698 0.552 1
1 243 . 16 2 2 B 18 18 VAL HA H 18 3.820 3.787 0.033 1
1 251 . 16 2 2 B 19 19 CYS H H 19 8.680 7.818 0.862 1
1 252 . 16 2 2 B 19 19 CYS HA H 19 4.730 4.329 0.401 1
1 255 . 16 2 2 B 20 20 GLY H H 20 7.750 8.012 -0.262 1
1 256 . 16 2 2 B 20 20 GLY HA2 H 20 3.940 3.801 0.139 1
1 257 . 16 2 2 B 20 20 GLY HA3 H 20 3.790 3.833 -0.043 1
1 258 . 16 2 2 B 21 21 GLU HA H 21 4.160 4.162 -0.002 1
1 263 . 16 2 2 B 22 22 ARG H H 22 8.040 8.440 -0.400 1
1 264 . 16 2 2 B 22 22 ARG HA H 22 4.260 4.515 -0.255 1
1 271 . 16 2 2 B 23 23 GLY H H 23 7.760 8.115 -0.355 1
1 272 . 16 2 2 B 23 23 GLY HA2 H 23 3.930 4.051 -0.121 1
1 273 . 16 2 2 B 23 23 GLY HA3 H 23 3.800 4.291 -0.491 1
1 274 . 16 2 2 B 24 24 ALA H H 24 8.010 8.067 -0.057 1
1 275 . 16 2 2 B 24 24 ALA HA H 24 4.570 4.709 -0.139 1
1 279 . 16 2 2 B 25 25 PHE H H 25 8.240 6.798 1.442 1
1 280 . 16 2 2 B 25 25 PHE HA H 25 4.620 4.821 -0.201 1
1 287 . 16 2 2 B 26 26 TYR HA H 26 4.510 4.776 -0.266 1
1 294 . 16 2 2 B 27 27 THR HA H 27 4.280 4.453 -0.173 1
1 299 . 16 2 2 B 28 28 LYS HA H 28 4.420 4.794 -0.374 1
1 308 . 16 2 2 B 29 29 PRO HA H 29 4.490 4.636 -0.146 1
1 1 . 17 1 1 A 2 2 ILE HA H 2 3.820 3.778 0.042 1
1 11 . 17 1 1 A 3 3 VAL H H 3 8.120 7.487 0.633 1
1 12 . 17 1 1 A 3 3 VAL HA H 3 3.600 4.341 -0.741 1
1 20 . 17 1 1 A 4 4 GLU HA H 4 4.090 4.063 0.027 1
1 25 . 17 1 1 A 5 5 GLN HA H 5 4.120 4.375 -0.255 1
1 32 . 17 1 1 A 6 6 CYS HA H 6 5.020 4.336 0.684 1
1 35 . 17 1 1 A 7 7 CYS HA H 7 4.890 4.478 0.412 1
1 38 . 17 1 1 A 8 8 THR H H 8 8.080 8.945 -0.865 1
1 39 . 17 1 1 A 8 8 THR HA H 8 4.100 4.536 -0.436 1
1 44 . 17 1 1 A 9 9 SER HA H 9 4.700 4.627 0.073 1
1 47 . 17 1 1 A 10 10 ILE H H 10 7.810 7.626 0.184 1
1 48 . 17 1 1 A 10 10 ILE HA H 10 4.290 4.672 -0.382 1
1 58 . 17 1 1 A 11 11 CYS HA H 11 4.930 5.250 -0.320 1
1 61 . 17 1 1 A 12 12 SER H H 12 8.240 8.482 -0.242 1
1 62 . 17 1 1 A 12 12 SER HA H 12 4.620 4.615 0.005 1
1 65 . 17 1 1 A 13 13 LEU HA H 13 3.910 3.991 -0.081 1
1 75 . 17 1 1 A 14 14 TYR H H 14 7.630 6.969 0.661 1
1 76 . 17 1 1 A 14 14 TYR HA H 14 4.330 4.230 0.100 1
1 83 . 17 1 1 A 15 15 GLN H H 15 7.510 8.088 -0.578 1
1 84 . 17 1 1 A 15 15 GLN HA H 15 3.990 4.105 -0.115 1
1 89 . 17 1 1 A 16 16 LEU H H 16 7.890 7.741 0.149 1
1 90 . 17 1 1 A 16 16 LEU HA H 16 4.160 3.430 0.730 1
1 100 . 17 1 1 A 17 17 GLU HA H 17 4.160 4.089 0.071 1
1 105 . 17 1 1 A 18 18 ASN H H 18 7.380 7.666 -0.286 1
1 106 . 17 1 1 A 18 18 ASN HA H 18 4.470 4.451 0.019 1
1 111 . 17 1 1 A 19 19 TYR H H 19 7.950 7.641 0.309 1
1 112 . 17 1 1 A 19 19 TYR HA H 19 4.480 4.763 -0.283 1
1 119 . 17 1 1 A 20 20 CYS H H 20 7.440 7.806 -0.366 1
1 120 . 17 1 1 A 20 20 CYS HA H 20 4.880 4.273 0.607 1
1 136 . 17 2 2 B 2 2 VAL HA H 2 4.030 4.752 -0.722 1
1 144 . 17 2 2 B 3 3 ASN HA H 3 4.590 4.826 -0.236 1
1 147 . 17 2 2 B 4 4 GLN HA H 4 4.470 4.770 -0.300 1
1 154 . 17 2 2 B 5 5 HIS HA H 5 4.410 4.751 -0.341 1
1 158 . 17 2 2 B 6 6 LEU HA H 6 4.580 5.088 -0.508 1
1 168 . 17 2 2 B 7 7 CYS H H 7 8.740 8.743 -0.003 1
1 169 . 17 2 2 B 7 7 CYS HA H 7 4.940 4.874 0.066 1
1 172 . 17 2 2 B 8 8 GLY HA2 H 8 4.010 3.936 0.074 1
1 173 . 17 2 2 B 8 8 GLY HA3 H 8 3.850 3.955 -0.105 1
1 174 . 17 2 2 B 9 9 SER HA H 9 4.140 4.291 -0.151 1
1 177 . 17 2 2 B 10 10 ASP H H 10 8.040 8.244 -0.204 1
1 178 . 17 2 2 B 10 10 ASP HA H 10 4.450 4.520 -0.070 1
1 181 . 17 2 2 B 11 11 LEU H H 11 7.050 8.296 -1.246 1
1 182 . 17 2 2 B 11 11 LEU HA H 11 4.000 4.057 -0.057 1
1 192 . 17 2 2 B 12 12 VAL H H 12 7.050 7.386 -0.336 1
1 193 . 17 2 2 B 12 12 VAL HA H 12 3.410 3.887 -0.477 1
1 201 . 17 2 2 B 13 13 GLU H H 13 7.980 8.372 -0.392 1
1 202 . 17 2 2 B 13 13 GLU HA H 13 4.050 4.032 0.018 1
1 207 . 17 2 2 B 14 14 ALA H H 14 7.750 7.482 0.268 1
1 208 . 17 2 2 B 14 14 ALA HA H 14 4.110 3.207 0.903 1
1 212 . 17 2 2 B 15 15 LEU H H 15 8.220 8.046 0.174 1
1 213 . 17 2 2 B 15 15 LEU HA H 15 3.990 4.161 -0.171 1
1 223 . 17 2 2 B 16 16 TYR H H 16 8.040 8.775 -0.735 1
1 224 . 17 2 2 B 16 16 TYR HA H 16 4.290 4.219 0.071 1
1 231 . 17 2 2 B 17 17 LEU H H 17 7.690 7.633 0.057 1
1 232 . 17 2 2 B 17 17 LEU HA H 17 4.090 3.847 0.243 1
1 242 . 17 2 2 B 18 18 VAL H H 18 8.250 7.466 0.784 1
1 243 . 17 2 2 B 18 18 VAL HA H 18 3.820 4.086 -0.266 1
1 251 . 17 2 2 B 19 19 CYS H H 19 8.680 7.901 0.779 1
1 252 . 17 2 2 B 19 19 CYS HA H 19 4.730 4.324 0.406 1
1 255 . 17 2 2 B 20 20 GLY H H 20 7.750 7.944 -0.194 1
1 256 . 17 2 2 B 20 20 GLY HA2 H 20 3.940 4.004 -0.064 1
1 257 . 17 2 2 B 20 20 GLY HA3 H 20 3.790 4.032 -0.242 1
1 258 . 17 2 2 B 21 21 GLU HA H 21 4.160 4.123 0.037 1
1 263 . 17 2 2 B 22 22 ARG H H 22 8.040 8.483 -0.443 1
1 264 . 17 2 2 B 22 22 ARG HA H 22 4.260 4.448 -0.188 1
1 271 . 17 2 2 B 23 23 GLY H H 23 7.760 7.851 -0.091 1
1 272 . 17 2 2 B 23 23 GLY HA2 H 23 3.930 4.045 -0.115 1
1 273 . 17 2 2 B 23 23 GLY HA3 H 23 3.800 4.185 -0.385 1
1 274 . 17 2 2 B 24 24 ALA H H 24 8.010 8.196 -0.186 1
1 275 . 17 2 2 B 24 24 ALA HA H 24 4.570 4.223 0.347 1
1 279 . 17 2 2 B 25 25 PHE H H 25 8.240 6.863 1.377 1
1 280 . 17 2 2 B 25 25 PHE HA H 25 4.620 4.756 -0.136 1
1 287 . 17 2 2 B 26 26 TYR HA H 26 4.510 4.935 -0.425 1
1 294 . 17 2 2 B 27 27 THR HA H 27 4.280 4.954 -0.674 1
1 299 . 17 2 2 B 28 28 LYS HA H 28 4.420 5.060 -0.640 1
1 308 . 17 2 2 B 29 29 PRO HA H 29 4.490 4.791 -0.301 1
1 1 . 18 1 1 A 2 2 ILE HA H 2 3.820 3.952 -0.132 1
1 11 . 18 1 1 A 3 3 VAL H H 3 8.120 7.546 0.574 1
1 12 . 18 1 1 A 3 3 VAL HA H 3 3.600 4.487 -0.887 1
1 20 . 18 1 1 A 4 4 GLU HA H 4 4.090 4.061 0.029 1
1 25 . 18 1 1 A 5 5 GLN HA H 5 4.120 4.368 -0.248 1
1 32 . 18 1 1 A 6 6 CYS HA H 6 5.020 4.212 0.808 1
1 35 . 18 1 1 A 7 7 CYS HA H 7 4.890 4.229 0.661 1
1 38 . 18 1 1 A 8 8 THR H H 8 8.080 8.556 -0.476 1
1 39 . 18 1 1 A 8 8 THR HA H 8 4.100 4.372 -0.272 1
1 44 . 18 1 1 A 9 9 SER HA H 9 4.700 4.838 -0.138 1
1 47 . 18 1 1 A 10 10 ILE H H 10 7.810 8.500 -0.690 1
1 48 . 18 1 1 A 10 10 ILE HA H 10 4.290 4.619 -0.329 1
1 58 . 18 1 1 A 11 11 CYS HA H 11 4.930 4.849 0.081 1
1 61 . 18 1 1 A 12 12 SER H H 12 8.240 8.215 0.025 1
1 62 . 18 1 1 A 12 12 SER HA H 12 4.620 4.740 -0.120 1
1 65 . 18 1 1 A 13 13 LEU HA H 13 3.910 3.786 0.124 1
1 75 . 18 1 1 A 14 14 TYR H H 14 7.630 7.127 0.503 1
1 76 . 18 1 1 A 14 14 TYR HA H 14 4.330 4.264 0.066 1
1 83 . 18 1 1 A 15 15 GLN H H 15 7.510 8.430 -0.920 1
1 84 . 18 1 1 A 15 15 GLN HA H 15 3.990 4.093 -0.103 1
1 89 . 18 1 1 A 16 16 LEU H H 16 7.890 7.828 0.062 1
1 90 . 18 1 1 A 16 16 LEU HA H 16 4.160 2.829 1.331 1
1 100 . 18 1 1 A 17 17 GLU HA H 17 4.160 3.996 0.164 1
1 105 . 18 1 1 A 18 18 ASN H H 18 7.380 7.664 -0.284 1
1 106 . 18 1 1 A 18 18 ASN HA H 18 4.470 4.522 -0.052 1
1 111 . 18 1 1 A 19 19 TYR H H 19 7.950 7.903 0.047 1
1 112 . 18 1 1 A 19 19 TYR HA H 19 4.480 4.577 -0.097 1
1 119 . 18 1 1 A 20 20 CYS H H 20 7.440 8.231 -0.791 1
1 120 . 18 1 1 A 20 20 CYS HA H 20 4.880 4.296 0.584 1
1 136 . 18 2 2 B 2 2 VAL HA H 2 4.030 5.025 -0.995 1
1 144 . 18 2 2 B 3 3 ASN HA H 3 4.590 5.297 -0.707 1
1 147 . 18 2 2 B 4 4 GLN HA H 4 4.470 4.869 -0.399 1
1 154 . 18 2 2 B 5 5 HIS HA H 5 4.410 4.840 -0.430 1
1 158 . 18 2 2 B 6 6 LEU HA H 6 4.580 5.063 -0.483 1
1 168 . 18 2 2 B 7 7 CYS H H 7 8.740 8.718 0.022 1
1 169 . 18 2 2 B 7 7 CYS HA H 7 4.940 4.951 -0.011 1
1 172 . 18 2 2 B 8 8 GLY HA2 H 8 4.010 3.983 0.027 1
1 173 . 18 2 2 B 8 8 GLY HA3 H 8 3.850 3.995 -0.145 1
1 174 . 18 2 2 B 9 9 SER HA H 9 4.140 4.202 -0.062 1
1 177 . 18 2 2 B 10 10 ASP H H 10 8.040 7.732 0.308 1
1 178 . 18 2 2 B 10 10 ASP HA H 10 4.450 5.034 -0.584 1
1 181 . 18 2 2 B 11 11 LEU H H 11 7.050 8.175 -1.125 1
1 182 . 18 2 2 B 11 11 LEU HA H 11 4.000 4.157 -0.157 1
1 192 . 18 2 2 B 12 12 VAL H H 12 7.050 7.342 -0.292 1
1 193 . 18 2 2 B 12 12 VAL HA H 12 3.410 3.917 -0.507 1
1 201 . 18 2 2 B 13 13 GLU H H 13 7.980 8.403 -0.423 1
1 202 . 18 2 2 B 13 13 GLU HA H 13 4.050 4.281 -0.231 1
1 207 . 18 2 2 B 14 14 ALA H H 14 7.750 7.647 0.103 1
1 208 . 18 2 2 B 14 14 ALA HA H 14 4.110 3.880 0.230 1
1 212 . 18 2 2 B 15 15 LEU H H 15 8.220 8.299 -0.079 1
1 213 . 18 2 2 B 15 15 LEU HA H 15 3.990 4.337 -0.347 1
1 223 . 18 2 2 B 16 16 TYR H H 16 8.040 8.979 -0.939 1
1 224 . 18 2 2 B 16 16 TYR HA H 16 4.290 4.297 -0.007 1
1 231 . 18 2 2 B 17 17 LEU H H 17 7.690 7.639 0.051 1
1 232 . 18 2 2 B 17 17 LEU HA H 17 4.090 3.697 0.393 1
1 242 . 18 2 2 B 18 18 VAL H H 18 8.250 7.220 1.030 1
1 243 . 18 2 2 B 18 18 VAL HA H 18 3.820 3.950 -0.130 1
1 251 . 18 2 2 B 19 19 CYS H H 19 8.680 7.748 0.932 1
1 252 . 18 2 2 B 19 19 CYS HA H 19 4.730 4.404 0.326 1
1 255 . 18 2 2 B 20 20 GLY H H 20 7.750 8.065 -0.315 1
1 256 . 18 2 2 B 20 20 GLY HA2 H 20 3.940 3.818 0.122 1
1 257 . 18 2 2 B 20 20 GLY HA3 H 20 3.790 3.833 -0.043 1
1 258 . 18 2 2 B 21 21 GLU HA H 21 4.160 4.575 -0.415 1
1 263 . 18 2 2 B 22 22 ARG H H 22 8.040 8.140 -0.100 1
1 264 . 18 2 2 B 22 22 ARG HA H 22 4.260 4.281 -0.021 1
1 271 . 18 2 2 B 23 23 GLY H H 23 7.760 7.729 0.031 1
1 272 . 18 2 2 B 23 23 GLY HA2 H 23 3.930 3.889 0.041 1
1 273 . 18 2 2 B 23 23 GLY HA3 H 23 3.800 4.154 -0.354 1
1 274 . 18 2 2 B 24 24 ALA H H 24 8.010 8.303 -0.293 1
1 275 . 18 2 2 B 24 24 ALA HA H 24 4.570 4.650 -0.080 1
1 279 . 18 2 2 B 25 25 PHE H H 25 8.240 6.802 1.438 1
1 280 . 18 2 2 B 25 25 PHE HA H 25 4.620 5.003 -0.383 1
1 287 . 18 2 2 B 26 26 TYR HA H 26 4.510 4.802 -0.292 1
1 294 . 18 2 2 B 27 27 THR HA H 27 4.280 4.472 -0.192 1
1 299 . 18 2 2 B 28 28 LYS HA H 28 4.420 5.060 -0.640 1
1 308 . 18 2 2 B 29 29 PRO HA H 29 4.490 4.628 -0.138 1
1 1 . 19 1 1 A 2 2 ILE HA H 2 3.820 3.895 -0.075 1
1 11 . 19 1 1 A 3 3 VAL H H 3 8.120 7.519 0.601 1
1 12 . 19 1 1 A 3 3 VAL HA H 3 3.600 4.394 -0.794 1
1 20 . 19 1 1 A 4 4 GLU HA H 4 4.090 4.078 0.012 1
1 25 . 19 1 1 A 5 5 GLN HA H 5 4.120 4.370 -0.250 1
1 32 . 19 1 1 A 6 6 CYS HA H 6 5.020 4.217 0.803 1
1 35 . 19 1 1 A 7 7 CYS HA H 7 4.890 4.155 0.735 1
1 38 . 19 1 1 A 8 8 THR H H 8 8.080 7.630 0.450 1
1 39 . 19 1 1 A 8 8 THR HA H 8 4.100 4.313 -0.213 1
1 44 . 19 1 1 A 9 9 SER HA H 9 4.700 4.907 -0.207 1
1 47 . 19 1 1 A 10 10 ILE H H 10 7.810 8.508 -0.698 1
1 48 . 19 1 1 A 10 10 ILE HA H 10 4.290 4.665 -0.375 1
1 58 . 19 1 1 A 11 11 CYS HA H 11 4.930 4.933 -0.003 1
1 61 . 19 1 1 A 12 12 SER H H 12 8.240 8.280 -0.040 1
1 62 . 19 1 1 A 12 12 SER HA H 12 4.620 4.890 -0.270 1
1 65 . 19 1 1 A 13 13 LEU HA H 13 3.910 3.831 0.079 1
1 75 . 19 1 1 A 14 14 TYR H H 14 7.630 7.609 0.021 1
1 76 . 19 1 1 A 14 14 TYR HA H 14 4.330 4.315 0.015 1
1 83 . 19 1 1 A 15 15 GLN H H 15 7.510 8.146 -0.636 1
1 84 . 19 1 1 A 15 15 GLN HA H 15 3.990 4.220 -0.230 1
1 89 . 19 1 1 A 16 16 LEU H H 16 7.890 7.677 0.213 1
1 90 . 19 1 1 A 16 16 LEU HA H 16 4.160 3.214 0.946 1
1 100 . 19 1 1 A 17 17 GLU HA H 17 4.160 4.017 0.143 1
1 105 . 19 1 1 A 18 18 ASN H H 18 7.380 7.445 -0.065 1
1 106 . 19 1 1 A 18 18 ASN HA H 18 4.470 4.486 -0.016 1
1 111 . 19 1 1 A 19 19 TYR H H 19 7.950 7.894 0.056 1
1 112 . 19 1 1 A 19 19 TYR HA H 19 4.480 4.736 -0.256 1
1 119 . 19 1 1 A 20 20 CYS H H 20 7.440 8.216 -0.776 1
1 120 . 19 1 1 A 20 20 CYS HA H 20 4.880 4.654 0.226 1
1 136 . 19 2 2 B 2 2 VAL HA H 2 4.030 4.473 -0.443 1
1 144 . 19 2 2 B 3 3 ASN HA H 3 4.590 5.327 -0.737 1
1 147 . 19 2 2 B 4 4 GLN HA H 4 4.470 4.742 -0.272 1
1 154 . 19 2 2 B 5 5 HIS HA H 5 4.410 4.818 -0.408 1
1 158 . 19 2 2 B 6 6 LEU HA H 6 4.580 5.124 -0.544 1
1 168 . 19 2 2 B 7 7 CYS H H 7 8.740 8.729 0.011 1
1 169 . 19 2 2 B 7 7 CYS HA H 7 4.940 4.878 0.062 1
1 172 . 19 2 2 B 8 8 GLY HA2 H 8 4.010 3.973 0.037 1
1 173 . 19 2 2 B 8 8 GLY HA3 H 8 3.850 4.026 -0.176 1
1 174 . 19 2 2 B 9 9 SER HA H 9 4.140 4.250 -0.110 1
1 177 . 19 2 2 B 10 10 ASP H H 10 8.040 8.340 -0.300 1
1 178 . 19 2 2 B 10 10 ASP HA H 10 4.450 4.602 -0.152 1
1 181 . 19 2 2 B 11 11 LEU H H 11 7.050 8.266 -1.216 1
1 182 . 19 2 2 B 11 11 LEU HA H 11 4.000 4.105 -0.105 1
1 192 . 19 2 2 B 12 12 VAL H H 12 7.050 7.471 -0.421 1
1 193 . 19 2 2 B 12 12 VAL HA H 12 3.410 3.957 -0.547 1
1 201 . 19 2 2 B 13 13 GLU H H 13 7.980 8.639 -0.659 1
1 202 . 19 2 2 B 13 13 GLU HA H 13 4.050 4.164 -0.114 1
1 207 . 19 2 2 B 14 14 ALA H H 14 7.750 7.825 -0.075 1
1 208 . 19 2 2 B 14 14 ALA HA H 14 4.110 4.154 -0.044 1
1 212 . 19 2 2 B 15 15 LEU H H 15 8.220 8.236 -0.016 1
1 213 . 19 2 2 B 15 15 LEU HA H 15 3.990 4.100 -0.110 1
1 223 . 19 2 2 B 16 16 TYR H H 16 8.040 8.877 -0.837 1
1 224 . 19 2 2 B 16 16 TYR HA H 16 4.290 4.269 0.021 1
1 231 . 19 2 2 B 17 17 LEU H H 17 7.690 7.732 -0.042 1
1 232 . 19 2 2 B 17 17 LEU HA H 17 4.090 3.725 0.365 1
1 242 . 19 2 2 B 18 18 VAL H H 18 8.250 7.105 1.145 1
1 243 . 19 2 2 B 18 18 VAL HA H 18 3.820 3.910 -0.090 1
1 251 . 19 2 2 B 19 19 CYS H H 19 8.680 7.756 0.924 1
1 252 . 19 2 2 B 19 19 CYS HA H 19 4.730 4.277 0.453 1
1 255 . 19 2 2 B 20 20 GLY H H 20 7.750 7.859 -0.109 1
1 256 . 19 2 2 B 20 20 GLY HA2 H 20 3.940 4.043 -0.103 1
1 257 . 19 2 2 B 20 20 GLY HA3 H 20 3.790 4.077 -0.287 1
1 258 . 19 2 2 B 21 21 GLU HA H 21 4.160 4.155 0.005 1
1 263 . 19 2 2 B 22 22 ARG H H 22 8.040 7.898 0.142 1
1 264 . 19 2 2 B 22 22 ARG HA H 22 4.260 4.492 -0.232 1
1 271 . 19 2 2 B 23 23 GLY H H 23 7.760 7.902 -0.142 1
1 272 . 19 2 2 B 23 23 GLY HA2 H 23 3.930 4.029 -0.099 1
1 273 . 19 2 2 B 23 23 GLY HA3 H 23 3.800 4.067 -0.267 1
1 274 . 19 2 2 B 24 24 ALA H H 24 8.010 8.146 -0.136 1
1 275 . 19 2 2 B 24 24 ALA HA H 24 4.570 4.502 0.068 1
1 279 . 19 2 2 B 25 25 PHE H H 25 8.240 7.589 0.651 1
1 280 . 19 2 2 B 25 25 PHE HA H 25 4.620 4.773 -0.153 1
1 287 . 19 2 2 B 26 26 TYR HA H 26 4.510 4.763 -0.253 1
1 294 . 19 2 2 B 27 27 THR HA H 27 4.280 4.639 -0.359 1
1 299 . 19 2 2 B 28 28 LYS HA H 28 4.420 4.105 0.315 1
1 308 . 19 2 2 B 29 29 PRO HA H 29 4.490 4.671 -0.181 1
1 1 . 20 1 1 A 2 2 ILE HA H 2 3.820 3.953 -0.133 1
1 11 . 20 1 1 A 3 3 VAL H H 3 8.120 7.587 0.533 1
1 12 . 20 1 1 A 3 3 VAL HA H 3 3.600 4.479 -0.879 1
1 20 . 20 1 1 A 4 4 GLU HA H 4 4.090 4.052 0.038 1
1 25 . 20 1 1 A 5 5 GLN HA H 5 4.120 4.381 -0.261 1
1 32 . 20 1 1 A 6 6 CYS HA H 6 5.020 4.332 0.688 1
1 35 . 20 1 1 A 7 7 CYS HA H 7 4.890 4.317 0.573 1
1 38 . 20 1 1 A 8 8 THR H H 8 8.080 7.945 0.135 1
1 39 . 20 1 1 A 8 8 THR HA H 8 4.100 3.924 0.176 1
1 44 . 20 1 1 A 9 9 SER HA H 9 4.700 4.873 -0.173 1
1 47 . 20 1 1 A 10 10 ILE H H 10 7.810 8.543 -0.733 1
1 48 . 20 1 1 A 10 10 ILE HA H 10 4.290 4.721 -0.431 1
1 58 . 20 1 1 A 11 11 CYS HA H 11 4.930 5.056 -0.126 1
1 61 . 20 1 1 A 12 12 SER H H 12 8.240 8.534 -0.294 1
1 62 . 20 1 1 A 12 12 SER HA H 12 4.620 4.648 -0.028 1
1 65 . 20 1 1 A 13 13 LEU HA H 13 3.910 3.723 0.187 1
1 75 . 20 1 1 A 14 14 TYR H H 14 7.630 7.740 -0.110 1
1 76 . 20 1 1 A 14 14 TYR HA H 14 4.330 4.345 -0.015 1
1 83 . 20 1 1 A 15 15 GLN H H 15 7.510 7.796 -0.286 1
1 84 . 20 1 1 A 15 15 GLN HA H 15 3.990 4.030 -0.040 1
1 89 . 20 1 1 A 16 16 LEU H H 16 7.890 7.971 -0.081 1
1 90 . 20 1 1 A 16 16 LEU HA H 16 4.160 2.632 1.528 1
1 100 . 20 1 1 A 17 17 GLU HA H 17 4.160 3.923 0.237 1
1 105 . 20 1 1 A 18 18 ASN H H 18 7.380 7.876 -0.496 1
1 106 . 20 1 1 A 18 18 ASN HA H 18 4.470 4.471 -0.001 1
1 111 . 20 1 1 A 19 19 TYR H H 19 7.950 8.136 -0.186 1
1 112 . 20 1 1 A 19 19 TYR HA H 19 4.480 4.451 0.029 1
1 119 . 20 1 1 A 20 20 CYS H H 20 7.440 7.559 -0.119 1
1 120 . 20 1 1 A 20 20 CYS HA H 20 4.880 4.585 0.295 1
1 136 . 20 2 2 B 2 2 VAL HA H 2 4.030 5.097 -1.067 1
1 144 . 20 2 2 B 3 3 ASN HA H 3 4.590 5.384 -0.794 1
1 147 . 20 2 2 B 4 4 GLN HA H 4 4.470 4.780 -0.310 1
1 154 . 20 2 2 B 5 5 HIS HA H 5 4.410 4.945 -0.535 1
1 158 . 20 2 2 B 6 6 LEU HA H 6 4.580 4.917 -0.337 1
1 168 . 20 2 2 B 7 7 CYS H H 7 8.740 8.677 0.063 1
1 169 . 20 2 2 B 7 7 CYS HA H 7 4.940 4.920 0.020 1
1 172 . 20 2 2 B 8 8 GLY HA2 H 8 4.010 3.974 0.036 1
1 173 . 20 2 2 B 8 8 GLY HA3 H 8 3.850 3.999 -0.149 1
1 174 . 20 2 2 B 9 9 SER HA H 9 4.140 4.262 -0.122 1
1 177 . 20 2 2 B 10 10 ASP H H 10 8.040 7.831 0.209 1
1 178 . 20 2 2 B 10 10 ASP HA H 10 4.450 4.486 -0.036 1
1 181 . 20 2 2 B 11 11 LEU H H 11 7.050 8.325 -1.275 1
1 182 . 20 2 2 B 11 11 LEU HA H 11 4.000 4.058 -0.058 1
1 192 . 20 2 2 B 12 12 VAL H H 12 7.050 7.356 -0.306 1
1 193 . 20 2 2 B 12 12 VAL HA H 12 3.410 3.969 -0.559 1
1 201 . 20 2 2 B 13 13 GLU H H 13 7.980 8.752 -0.772 1
1 202 . 20 2 2 B 13 13 GLU HA H 13 4.050 4.164 -0.114 1
1 207 . 20 2 2 B 14 14 ALA H H 14 7.750 7.872 -0.122 1
1 208 . 20 2 2 B 14 14 ALA HA H 14 4.110 4.314 -0.204 1
1 212 . 20 2 2 B 15 15 LEU H H 15 8.220 8.163 0.057 1
1 213 . 20 2 2 B 15 15 LEU HA H 15 3.990 4.315 -0.325 1
1 223 . 20 2 2 B 16 16 TYR H H 16 8.040 8.985 -0.945 1
1 224 . 20 2 2 B 16 16 TYR HA H 16 4.290 4.314 -0.024 1
1 231 . 20 2 2 B 17 17 LEU H H 17 7.690 7.749 -0.059 1
1 232 . 20 2 2 B 17 17 LEU HA H 17 4.090 3.704 0.386 1
1 242 . 20 2 2 B 18 18 VAL H H 18 8.250 7.256 0.994 1
1 243 . 20 2 2 B 18 18 VAL HA H 18 3.820 3.856 -0.036 1
1 251 . 20 2 2 B 19 19 CYS H H 19 8.680 7.905 0.775 1
1 252 . 20 2 2 B 19 19 CYS HA H 19 4.730 4.380 0.350 1
1 255 . 20 2 2 B 20 20 GLY H H 20 7.750 7.824 -0.074 1
1 256 . 20 2 2 B 20 20 GLY HA2 H 20 3.940 3.808 0.132 1
1 257 . 20 2 2 B 20 20 GLY HA3 H 20 3.790 3.845 -0.055 1
1 258 . 20 2 2 B 21 21 GLU HA H 21 4.160 4.200 -0.040 1
1 263 . 20 2 2 B 22 22 ARG H H 22 8.040 7.968 0.072 1
1 264 . 20 2 2 B 22 22 ARG HA H 22 4.260 4.508 -0.248 1
1 271 . 20 2 2 B 23 23 GLY H H 23 7.760 7.881 -0.121 1
1 272 . 20 2 2 B 23 23 GLY HA2 H 23 3.930 4.099 -0.169 1
1 273 . 20 2 2 B 23 23 GLY HA3 H 23 3.800 4.172 -0.372 1
1 274 . 20 2 2 B 24 24 ALA H H 24 8.010 8.743 -0.733 1
1 275 . 20 2 2 B 24 24 ALA HA H 24 4.570 4.116 0.454 1
1 279 . 20 2 2 B 25 25 PHE H H 25 8.240 7.936 0.304 1
1 280 . 20 2 2 B 25 25 PHE HA H 25 4.620 5.017 -0.397 1
1 287 . 20 2 2 B 26 26 TYR HA H 26 4.510 4.496 0.014 1
1 294 . 20 2 2 B 27 27 THR HA H 27 4.280 4.418 -0.138 1
1 299 . 20 2 2 B 28 28 LYS HA H 28 4.420 4.902 -0.482 1
1 308 . 20 2 2 B 29 29 PRO HA H 29 4.490 4.688 -0.198 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 10 0.527 1
5 1 1 1 "RMS(OBS, PRED)" HA 19 0.354 1
6 1 1 1 "RMS(OBS, PRED)" N 0 0.000 1
7 1 1 2 "RMS(OBS, PRED)" C 0 0.000 1
8 1 1 2 "RMS(OBS, PRED)" CA 0 0.000 1
9 1 1 2 "RMS(OBS, PRED)" CB 0 0.000 1
10 1 1 2 "RMS(OBS, PRED)" H 16 0.555 1
11 1 1 2 "RMS(OBS, PRED)" HA 31 0.344 1
12 1 1 2 "RMS(OBS, PRED)" N 0 0.000 1
13 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 2 1 "RMS(OBS, PRED)" CA 0 0.000 1
15 1 2 1 "RMS(OBS, PRED)" CB 0 0.000 1
16 1 2 1 "RMS(OBS, PRED)" H 10 0.347 1
17 1 2 1 "RMS(OBS, PRED)" HA 19 0.420 1
18 1 2 1 "RMS(OBS, PRED)" N 0 0.000 1
19 1 2 2 "RMS(OBS, PRED)" C 0 0.000 1
20 1 2 2 "RMS(OBS, PRED)" CA 0 0.000 1
21 1 2 2 "RMS(OBS, PRED)" CB 0 0.000 1
22 1 2 2 "RMS(OBS, PRED)" H 16 0.575 1
23 1 2 2 "RMS(OBS, PRED)" HA 31 0.337 1
24 1 2 2 "RMS(OBS, PRED)" N 0 0.000 1
25 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 3 1 "RMS(OBS, PRED)" CA 0 0.000 1
27 1 3 1 "RMS(OBS, PRED)" CB 0 0.000 1
28 1 3 1 "RMS(OBS, PRED)" H 10 0.416 1
29 1 3 1 "RMS(OBS, PRED)" HA 19 0.473 1
30 1 3 1 "RMS(OBS, PRED)" N 0 0.000 1
31 1 3 2 "RMS(OBS, PRED)" C 0 0.000 1
32 1 3 2 "RMS(OBS, PRED)" CA 0 0.000 1
33 1 3 2 "RMS(OBS, PRED)" CB 0 0.000 1
34 1 3 2 "RMS(OBS, PRED)" H 16 0.540 1
35 1 3 2 "RMS(OBS, PRED)" HA 31 0.269 1
36 1 3 2 "RMS(OBS, PRED)" N 0 0.000 1
37 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 4 1 "RMS(OBS, PRED)" CA 0 0.000 1
39 1 4 1 "RMS(OBS, PRED)" CB 0 0.000 1
40 1 4 1 "RMS(OBS, PRED)" H 10 0.571 1
41 1 4 1 "RMS(OBS, PRED)" HA 19 0.503 1
42 1 4 1 "RMS(OBS, PRED)" N 0 0.000 1
43 1 4 2 "RMS(OBS, PRED)" C 0 0.000 1
44 1 4 2 "RMS(OBS, PRED)" CA 0 0.000 1
45 1 4 2 "RMS(OBS, PRED)" CB 0 0.000 1
46 1 4 2 "RMS(OBS, PRED)" H 16 0.550 1
47 1 4 2 "RMS(OBS, PRED)" HA 31 0.314 1
48 1 4 2 "RMS(OBS, PRED)" N 0 0.000 1
49 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 5 1 "RMS(OBS, PRED)" CA 0 0.000 1
51 1 5 1 "RMS(OBS, PRED)" CB 0 0.000 1
52 1 5 1 "RMS(OBS, PRED)" H 10 0.374 1
53 1 5 1 "RMS(OBS, PRED)" HA 19 0.323 1
54 1 5 1 "RMS(OBS, PRED)" N 0 0.000 1
55 1 5 2 "RMS(OBS, PRED)" C 0 0.000 1
56 1 5 2 "RMS(OBS, PRED)" CA 0 0.000 1
57 1 5 2 "RMS(OBS, PRED)" CB 0 0.000 1
58 1 5 2 "RMS(OBS, PRED)" H 16 0.588 1
59 1 5 2 "RMS(OBS, PRED)" HA 31 0.304 1
60 1 5 2 "RMS(OBS, PRED)" N 0 0.000 1
61 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 6 1 "RMS(OBS, PRED)" CA 0 0.000 1
63 1 6 1 "RMS(OBS, PRED)" CB 0 0.000 1
64 1 6 1 "RMS(OBS, PRED)" H 10 0.409 1
65 1 6 1 "RMS(OBS, PRED)" HA 19 0.501 1
66 1 6 1 "RMS(OBS, PRED)" N 0 0.000 1
67 1 6 2 "RMS(OBS, PRED)" C 0 0.000 1
68 1 6 2 "RMS(OBS, PRED)" CA 0 0.000 1
69 1 6 2 "RMS(OBS, PRED)" CB 0 0.000 1
70 1 6 2 "RMS(OBS, PRED)" H 16 0.543 1
71 1 6 2 "RMS(OBS, PRED)" HA 31 0.343 1
72 1 6 2 "RMS(OBS, PRED)" N 0 0.000 1
73 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 7 1 "RMS(OBS, PRED)" CA 0 0.000 1
75 1 7 1 "RMS(OBS, PRED)" CB 0 0.000 1
76 1 7 1 "RMS(OBS, PRED)" H 10 0.468 1
77 1 7 1 "RMS(OBS, PRED)" HA 19 0.449 1
78 1 7 1 "RMS(OBS, PRED)" N 0 0.000 1
79 1 7 2 "RMS(OBS, PRED)" C 0 0.000 1
80 1 7 2 "RMS(OBS, PRED)" CA 0 0.000 1
81 1 7 2 "RMS(OBS, PRED)" CB 0 0.000 1
82 1 7 2 "RMS(OBS, PRED)" H 16 0.718 1
83 1 7 2 "RMS(OBS, PRED)" HA 31 0.318 1
84 1 7 2 "RMS(OBS, PRED)" N 0 0.000 1
85 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 8 1 "RMS(OBS, PRED)" CA 0 0.000 1
87 1 8 1 "RMS(OBS, PRED)" CB 0 0.000 1
88 1 8 1 "RMS(OBS, PRED)" H 10 0.469 1
89 1 8 1 "RMS(OBS, PRED)" HA 19 0.427 1
90 1 8 1 "RMS(OBS, PRED)" N 0 0.000 1
91 1 8 2 "RMS(OBS, PRED)" C 0 0.000 1
92 1 8 2 "RMS(OBS, PRED)" CA 0 0.000 1
93 1 8 2 "RMS(OBS, PRED)" CB 0 0.000 1
94 1 8 2 "RMS(OBS, PRED)" H 16 0.648 1
95 1 8 2 "RMS(OBS, PRED)" HA 31 0.301 1
96 1 8 2 "RMS(OBS, PRED)" N 0 0.000 1
97 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 9 1 "RMS(OBS, PRED)" CA 0 0.000 1
99 1 9 1 "RMS(OBS, PRED)" CB 0 0.000 1
100 1 9 1 "RMS(OBS, PRED)" H 10 0.364 1
101 1 9 1 "RMS(OBS, PRED)" HA 19 0.377 1
102 1 9 1 "RMS(OBS, PRED)" N 0 0.000 1
103 1 9 2 "RMS(OBS, PRED)" C 0 0.000 1
104 1 9 2 "RMS(OBS, PRED)" CA 0 0.000 1
105 1 9 2 "RMS(OBS, PRED)" CB 0 0.000 1
106 1 9 2 "RMS(OBS, PRED)" H 16 0.616 1
107 1 9 2 "RMS(OBS, PRED)" HA 31 0.304 1
108 1 9 2 "RMS(OBS, PRED)" N 0 0.000 1
109 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 10 1 "RMS(OBS, PRED)" CA 0 0.000 1
111 1 10 1 "RMS(OBS, PRED)" CB 0 0.000 1
112 1 10 1 "RMS(OBS, PRED)" H 10 0.375 1
113 1 10 1 "RMS(OBS, PRED)" HA 19 0.346 1
114 1 10 1 "RMS(OBS, PRED)" N 0 0.000 1
115 1 10 2 "RMS(OBS, PRED)" C 0 0.000 1
116 1 10 2 "RMS(OBS, PRED)" CA 0 0.000 1
117 1 10 2 "RMS(OBS, PRED)" CB 0 0.000 1
118 1 10 2 "RMS(OBS, PRED)" H 16 0.678 1
119 1 10 2 "RMS(OBS, PRED)" HA 31 0.285 1
120 1 10 2 "RMS(OBS, PRED)" N 0 0.000 1
121 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
122 1 11 1 "RMS(OBS, PRED)" CA 0 0.000 1
123 1 11 1 "RMS(OBS, PRED)" CB 0 0.000 1
124 1 11 1 "RMS(OBS, PRED)" H 10 0.471 1
125 1 11 1 "RMS(OBS, PRED)" HA 19 0.390 1
126 1 11 1 "RMS(OBS, PRED)" N 0 0.000 1
127 1 11 2 "RMS(OBS, PRED)" C 0 0.000 1
128 1 11 2 "RMS(OBS, PRED)" CA 0 0.000 1
129 1 11 2 "RMS(OBS, PRED)" CB 0 0.000 1
130 1 11 2 "RMS(OBS, PRED)" H 16 0.527 1
131 1 11 2 "RMS(OBS, PRED)" HA 31 0.312 1
132 1 11 2 "RMS(OBS, PRED)" N 0 0.000 1
133 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
134 1 12 1 "RMS(OBS, PRED)" CA 0 0.000 1
135 1 12 1 "RMS(OBS, PRED)" CB 0 0.000 1
136 1 12 1 "RMS(OBS, PRED)" H 10 0.500 1
137 1 12 1 "RMS(OBS, PRED)" HA 19 0.364 1
138 1 12 1 "RMS(OBS, PRED)" N 0 0.000 1
139 1 12 2 "RMS(OBS, PRED)" C 0 0.000 1
140 1 12 2 "RMS(OBS, PRED)" CA 0 0.000 1
141 1 12 2 "RMS(OBS, PRED)" CB 0 0.000 1
142 1 12 2 "RMS(OBS, PRED)" H 16 0.606 1
143 1 12 2 "RMS(OBS, PRED)" HA 31 0.311 1
144 1 12 2 "RMS(OBS, PRED)" N 0 0.000 1
145 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
146 1 13 1 "RMS(OBS, PRED)" CA 0 0.000 1
147 1 13 1 "RMS(OBS, PRED)" CB 0 0.000 1
148 1 13 1 "RMS(OBS, PRED)" H 10 0.320 1
149 1 13 1 "RMS(OBS, PRED)" HA 19 0.535 1
150 1 13 1 "RMS(OBS, PRED)" N 0 0.000 1
151 1 13 2 "RMS(OBS, PRED)" C 0 0.000 1
152 1 13 2 "RMS(OBS, PRED)" CA 0 0.000 1
153 1 13 2 "RMS(OBS, PRED)" CB 0 0.000 1
154 1 13 2 "RMS(OBS, PRED)" H 16 0.508 1
155 1 13 2 "RMS(OBS, PRED)" HA 31 0.353 1
156 1 13 2 "RMS(OBS, PRED)" N 0 0.000 1
157 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
158 1 14 1 "RMS(OBS, PRED)" CA 0 0.000 1
159 1 14 1 "RMS(OBS, PRED)" CB 0 0.000 1
160 1 14 1 "RMS(OBS, PRED)" H 10 0.452 1
161 1 14 1 "RMS(OBS, PRED)" HA 19 0.510 1
162 1 14 1 "RMS(OBS, PRED)" N 0 0.000 1
163 1 14 2 "RMS(OBS, PRED)" C 0 0.000 1
164 1 14 2 "RMS(OBS, PRED)" CA 0 0.000 1
165 1 14 2 "RMS(OBS, PRED)" CB 0 0.000 1
166 1 14 2 "RMS(OBS, PRED)" H 16 0.601 1
167 1 14 2 "RMS(OBS, PRED)" HA 31 0.303 1
168 1 14 2 "RMS(OBS, PRED)" N 0 0.000 1
169 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
170 1 15 1 "RMS(OBS, PRED)" CA 0 0.000 1
171 1 15 1 "RMS(OBS, PRED)" CB 0 0.000 1
172 1 15 1 "RMS(OBS, PRED)" H 10 0.405 1
173 1 15 1 "RMS(OBS, PRED)" HA 19 0.382 1
174 1 15 1 "RMS(OBS, PRED)" N 0 0.000 1
175 1 15 2 "RMS(OBS, PRED)" C 0 0.000 1
176 1 15 2 "RMS(OBS, PRED)" CA 0 0.000 1
177 1 15 2 "RMS(OBS, PRED)" CB 0 0.000 1
178 1 15 2 "RMS(OBS, PRED)" H 16 0.554 1
179 1 15 2 "RMS(OBS, PRED)" HA 31 0.289 1
180 1 15 2 "RMS(OBS, PRED)" N 0 0.000 1
181 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
182 1 16 1 "RMS(OBS, PRED)" CA 0 0.000 1
183 1 16 1 "RMS(OBS, PRED)" CB 0 0.000 1
184 1 16 1 "RMS(OBS, PRED)" H 10 0.461 1
185 1 16 1 "RMS(OBS, PRED)" HA 19 0.485 1
186 1 16 1 "RMS(OBS, PRED)" N 0 0.000 1
187 1 16 2 "RMS(OBS, PRED)" C 0 0.000 1
188 1 16 2 "RMS(OBS, PRED)" CA 0 0.000 1
189 1 16 2 "RMS(OBS, PRED)" CB 0 0.000 1
190 1 16 2 "RMS(OBS, PRED)" H 16 0.714 1
191 1 16 2 "RMS(OBS, PRED)" HA 31 0.283 1
192 1 16 2 "RMS(OBS, PRED)" N 0 0.000 1
193 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
194 1 17 1 "RMS(OBS, PRED)" CA 0 0.000 1
195 1 17 1 "RMS(OBS, PRED)" CB 0 0.000 1
196 1 17 1 "RMS(OBS, PRED)" H 10 0.511 1
197 1 17 1 "RMS(OBS, PRED)" HA 19 0.388 1
198 1 17 1 "RMS(OBS, PRED)" N 0 0.000 1
199 1 17 2 "RMS(OBS, PRED)" C 0 0.000 1
200 1 17 2 "RMS(OBS, PRED)" CA 0 0.000 1
201 1 17 2 "RMS(OBS, PRED)" CB 0 0.000 1
202 1 17 2 "RMS(OBS, PRED)" H 16 0.627 1
203 1 17 2 "RMS(OBS, PRED)" HA 31 0.363 1
204 1 17 2 "RMS(OBS, PRED)" N 0 0.000 1
205 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
206 1 18 1 "RMS(OBS, PRED)" CA 0 0.000 1
207 1 18 1 "RMS(OBS, PRED)" CB 0 0.000 1
208 1 18 1 "RMS(OBS, PRED)" H 10 0.562 1
209 1 18 1 "RMS(OBS, PRED)" HA 19 0.492 1
210 1 18 1 "RMS(OBS, PRED)" N 0 0.000 1
211 1 18 2 "RMS(OBS, PRED)" C 0 0.000 1
212 1 18 2 "RMS(OBS, PRED)" CA 0 0.000 1
213 1 18 2 "RMS(OBS, PRED)" CB 0 0.000 1
214 1 18 2 "RMS(OBS, PRED)" H 16 0.669 1
215 1 18 2 "RMS(OBS, PRED)" HA 31 0.372 1
216 1 18 2 "RMS(OBS, PRED)" N 0 0.000 1
217 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
218 1 19 1 "RMS(OBS, PRED)" CA 0 0.000 1
219 1 19 1 "RMS(OBS, PRED)" CB 0 0.000 1
220 1 19 1 "RMS(OBS, PRED)" H 10 0.484 1
221 1 19 1 "RMS(OBS, PRED)" HA 19 0.427 1
222 1 19 1 "RMS(OBS, PRED)" N 0 0.000 1
223 1 19 2 "RMS(OBS, PRED)" C 0 0.000 1
224 1 19 2 "RMS(OBS, PRED)" CA 0 0.000 1
225 1 19 2 "RMS(OBS, PRED)" CB 0 0.000 1
226 1 19 2 "RMS(OBS, PRED)" H 16 0.608 1
227 1 19 2 "RMS(OBS, PRED)" HA 31 0.293 1
228 1 19 2 "RMS(OBS, PRED)" N 0 0.000 1
229 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
230 1 20 1 "RMS(OBS, PRED)" CA 0 0.000 1
231 1 20 1 "RMS(OBS, PRED)" CB 0 0.000 1
232 1 20 1 "RMS(OBS, PRED)" H 10 0.383 1
233 1 20 1 "RMS(OBS, PRED)" HA 19 0.497 1
234 1 20 1 "RMS(OBS, PRED)" N 0 0.000 1
235 1 20 2 "RMS(OBS, PRED)" C 0 0.000 1
236 1 20 2 "RMS(OBS, PRED)" CA 0 0.000 1
237 1 20 2 "RMS(OBS, PRED)" CB 0 0.000 1
238 1 20 2 "RMS(OBS, PRED)" H 16 0.607 1
239 1 20 2 "RMS(OBS, PRED)" HA 31 0.362 1
240 1 20 2 "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 11 . 1 1 A 3 3 VAL H H 3 8.120 7.535 0.585 2
1 38 . 1 1 A 8 8 THR H H 8 8.080 8.106 -0.026 2
1 39 . 1 1 A 8 8 THR HA H 8 4.100 4.207 -0.107 2
1 120 . 1 1 A 20 20 CYS HA H 20 4.880 4.554 0.326 2
1 136 . 2 2 B 2 2 VAL HA H 2 4.030 4.242 -0.212 2
1 144 . 2 2 B 3 3 ASN HA H 3 4.590 4.810 -0.220 2
1 147 . 2 2 B 4 4 GLN HA H 4 4.470 4.431 0.039 2
1 154 . 2 2 B 5 5 HIS HA H 5 4.410 4.625 -0.215 2
1 158 . 2 2 B 6 6 LEU HA H 6 4.580 4.681 -0.101 2
1 168 . 2 2 B 7 7 CYS H H 7 8.740 8.655 0.085 2
1 169 . 2 2 B 7 7 CYS HA H 7 4.940 4.607 0.333 2
1 172 . 2 2 B 8 8 GLY HA2 H 8 4.010 3.957 0.053 2
1 173 . 2 2 B 8 8 GLY HA3 H 8 3.850 3.974 -0.124 2
1 174 . 2 2 B 9 9 SER HA H 9 4.140 4.499 -0.359 2
1 177 . 2 2 B 10 10 ASP H H 10 8.040 8.061 -0.021 2
1 178 . 2 2 B 10 10 ASP HA H 10 4.450 4.625 -0.175 2
1 181 . 2 2 B 11 11 LEU H H 11 7.050 8.198 -1.148 2
1 182 . 2 2 B 11 11 LEU HA H 11 4.000 4.558 -0.558 2
1 192 . 2 2 B 12 12 VAL H H 12 7.050 7.847 -0.797 2
1 193 . 2 2 B 12 12 VAL HA H 12 3.410 4.279 -0.869 2
1 201 . 2 2 B 13 13 GLU H H 13 7.980 8.624 -0.644 2
1 202 . 2 2 B 13 13 GLU HA H 13 4.050 3.988 0.062 2
1 207 . 2 2 B 14 14 ALA H H 14 7.750 7.573 0.177 2
1 208 . 2 2 B 14 14 ALA HA H 14 4.110 4.156 -0.046 2
1 212 . 2 2 B 15 15 LEU H H 15 8.220 8.006 0.214 2
1 213 . 2 2 B 15 15 LEU HA H 15 3.990 4.098 -0.108 2
1 223 . 2 2 B 16 16 TYR H H 16 8.040 8.406 -0.366 2
1 224 . 2 2 B 16 16 TYR HA H 16 4.290 3.642 0.648 2
1 231 . 2 2 B 17 17 LEU H H 17 7.690 7.684 0.006 2
1 232 . 2 2 B 17 17 LEU HA H 17 4.090 3.906 0.184 2
1 242 . 2 2 B 18 18 VAL H H 18 8.250 7.671 0.579 2
1 243 . 2 2 B 18 18 VAL HA H 18 3.820 4.175 -0.355 2
1 251 . 2 2 B 19 19 CYS H H 19 8.680 7.801 0.879 2
1 252 . 2 2 B 19 19 CYS HA H 19 4.730 4.511 0.219 2
1 255 . 2 2 B 20 20 GLY H H 20 7.750 7.905 -0.155 2
1 256 . 2 2 B 20 20 GLY HA2 H 20 3.940 3.901 0.039 2
1 257 . 2 2 B 20 20 GLY HA3 H 20 3.790 3.934 -0.144 2
1 258 . 2 2 B 21 21 GLU HA H 21 4.160 4.319 -0.159 2
1 263 . 2 2 B 22 22 ARG H H 22 8.040 7.998 0.042 2
1 264 . 2 2 B 22 22 ARG HA H 22 4.260 4.441 -0.181 2
1 271 . 2 2 B 23 23 GLY H H 23 7.760 7.874 -0.114 2
1 272 . 2 2 B 23 23 GLY HA2 H 23 3.930 4.053 -0.123 2
1 273 . 2 2 B 23 23 GLY HA3 H 23 3.800 4.155 -0.355 2
1 274 . 2 2 B 24 24 ALA H H 24 8.010 8.218 -0.208 2
1 275 . 2 2 B 24 24 ALA HA H 24 4.570 4.502 0.068 2
1 279 . 2 2 B 25 25 PHE H H 25 8.240 7.704 0.536 2
1 280 . 2 2 B 25 25 PHE HA H 25 4.620 4.774 -0.154 2
1 287 . 2 2 B 26 26 TYR HA H 26 4.510 4.662 -0.152 2
1 294 . 2 2 B 27 27 THR HA H 27 4.280 4.565 -0.285 2
1 299 . 2 2 B 28 28 LYS HA H 28 4.420 4.729 -0.309 2
1 308 . 2 2 B 29 29 PRO HA H 29 4.490 4.679 -0.189 2
stop_
save_