data_16073_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16073
_Entry.PDB_ID 2KCG
_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 4 . 1 1 1 A 2 2 ILE H H 2 8.038 7.491 0.547 1
1 5 . 1 1 1 A 2 2 ILE HA H 2 4.766 4.468 0.298 1
1 15 . 1 1 1 A 3 3 PRO HA H 3 4.128 4.130 -0.002 1
1 22 . 1 1 1 A 4 4 CYS H H 4 8.441 9.010 -0.569 1
1 23 . 1 1 1 A 4 4 CYS HA H 4 4.541 4.399 0.142 1
1 26 . 1 1 1 A 5 5 GLY H H 5 8.861 7.989 0.872 1
1 27 . 1 1 1 A 5 5 GLY HA2 H 5 4.035 3.892 0.143 1
1 28 . 1 1 1 A 5 5 GLY HA3 H 5 3.645 3.919 -0.274 1
1 29 . 1 1 1 A 6 6 GLU H H 6 7.629 7.897 -0.268 1
1 30 . 1 1 1 A 6 6 GLU HA H 6 4.563 4.441 0.122 1
1 35 . 1 1 1 A 7 7 SER H H 7 8.775 8.713 0.062 1
1 36 . 1 1 1 A 7 7 SER HA H 7 4.689 5.122 -0.433 1
1 39 . 1 1 1 A 8 8 CYS H H 8 8.006 8.499 -0.493 1
1 40 . 1 1 1 A 8 8 CYS HA H 8 5.324 5.115 0.209 1
1 43 . 1 1 1 A 9 9 VAL H H 9 7.917 7.923 -0.006 1
1 44 . 1 1 1 A 9 9 VAL HA H 9 3.376 3.400 -0.024 1
1 52 . 1 1 1 A 10 10 TRP H H 10 8.181 7.782 0.399 1
1 53 . 1 1 1 A 10 10 TRP HA H 10 4.835 4.824 0.011 1
1 60 . 1 1 1 A 11 11 ILE H H 11 7.502 7.843 -0.341 1
1 61 . 1 1 1 A 11 11 ILE HA H 11 4.715 4.696 0.019 1
1 69 . 1 1 1 A 12 12 PRO HA H 12 4.376 4.456 -0.080 1
1 75 . 1 1 1 A 13 13 CYS H H 13 8.302 8.598 -0.296 1
1 76 . 1 1 1 A 13 13 CYS HA H 13 4.230 4.627 -0.397 1
1 79 . 1 1 1 A 14 14 ILE H H 14 9.342 8.709 0.633 1
1 80 . 1 1 1 A 14 14 ILE HA H 14 4.223 3.838 0.385 1
1 81 . 1 1 1 A 15 15 SER H H 15 9.647 8.273 1.374 1
1 82 . 1 1 1 A 15 15 SER HA H 15 4.401 4.777 -0.376 1
1 85 . 1 1 1 A 16 16 SER H H 16 7.753 8.325 -0.572 1
1 86 . 1 1 1 A 16 16 SER HA H 16 4.651 4.261 0.390 1
1 89 . 1 1 1 A 17 17 ALA H H 17 8.329 8.296 0.033 1
1 90 . 1 1 1 A 17 17 ALA HA H 17 4.278 4.195 0.083 1
1 94 . 1 1 1 A 18 18 ILE H H 18 7.275 7.436 -0.161 1
1 95 . 1 1 1 A 18 18 ILE HA H 18 4.421 4.136 0.285 1
1 105 . 1 1 1 A 19 19 GLY H H 19 7.870 8.094 -0.224 1
1 106 . 1 1 1 A 19 19 GLY HA2 H 19 4.310 3.977 0.333 1
1 107 . 1 1 1 A 19 19 GLY HA3 H 19 3.742 3.977 -0.235 1
1 108 . 1 1 1 A 20 20 CYS H H 20 7.618 8.161 -0.543 1
1 109 . 1 1 1 A 20 20 CYS HA H 20 4.797 5.095 -0.298 1
1 112 . 1 1 1 A 21 21 SER H H 21 9.389 9.375 0.014 1
1 113 . 1 1 1 A 21 21 SER HA H 21 4.710 5.120 -0.410 1
1 116 . 1 1 1 A 22 22 CYS H H 22 8.752 8.816 -0.064 1
1 117 . 1 1 1 A 22 22 CYS HA H 22 4.645 4.761 -0.116 1
1 120 . 1 1 1 A 23 23 LYS H H 23 9.574 9.492 0.082 1
1 121 . 1 1 1 A 23 23 LYS HA H 23 4.604 4.532 0.072 1
1 133 . 1 1 1 A 24 24 SER H H 24 9.233 9.373 -0.140 1
1 134 . 1 1 1 A 24 24 SER HA H 24 4.714 4.160 0.554 1
1 137 . 1 1 1 A 25 25 LYS H H 25 8.111 8.462 -0.351 1
1 138 . 1 1 1 A 25 25 LYS HA H 25 3.501 3.805 -0.304 1
1 150 . 1 1 1 A 26 26 VAL H H 26 7.957 7.636 0.321 1
1 151 . 1 1 1 A 26 26 VAL HA H 26 4.191 4.506 -0.315 1
1 159 . 1 1 1 A 27 27 CYS H H 27 7.700 8.893 -1.193 1
1 160 . 1 1 1 A 27 27 CYS HA H 27 5.068 5.660 -0.592 1
1 163 . 1 1 1 A 28 28 TYR H H 28 9.577 9.671 -0.094 1
1 164 . 1 1 1 A 28 28 TYR HA H 28 5.110 5.278 -0.168 1
1 169 . 1 1 1 A 29 29 ARG H H 29 9.293 9.365 -0.072 1
1 170 . 1 1 1 A 29 29 ARG HA H 29 4.712 4.673 0.039 1
1 4 . 2 1 1 A 2 2 ILE H H 2 8.038 7.636 0.402 1
1 5 . 2 1 1 A 2 2 ILE HA H 2 4.766 4.431 0.335 1
1 15 . 2 1 1 A 3 3 PRO HA H 3 4.128 4.076 0.052 1
1 22 . 2 1 1 A 4 4 CYS H H 4 8.441 8.992 -0.551 1
1 23 . 2 1 1 A 4 4 CYS HA H 4 4.541 4.414 0.127 1
1 26 . 2 1 1 A 5 5 GLY H H 5 8.861 8.028 0.833 1
1 27 . 2 1 1 A 5 5 GLY HA2 H 5 4.035 3.888 0.147 1
1 28 . 2 1 1 A 5 5 GLY HA3 H 5 3.645 3.913 -0.268 1
1 29 . 2 1 1 A 6 6 GLU H H 6 7.629 7.938 -0.309 1
1 30 . 2 1 1 A 6 6 GLU HA H 6 4.563 4.387 0.176 1
1 35 . 2 1 1 A 7 7 SER H H 7 8.775 8.858 -0.083 1
1 36 . 2 1 1 A 7 7 SER HA H 7 4.689 5.064 -0.375 1
1 39 . 2 1 1 A 8 8 CYS H H 8 8.006 8.742 -0.736 1
1 40 . 2 1 1 A 8 8 CYS HA H 8 5.324 5.092 0.232 1
1 43 . 2 1 1 A 9 9 VAL H H 9 7.917 7.738 0.179 1
1 44 . 2 1 1 A 9 9 VAL HA H 9 3.376 3.484 -0.108 1
1 52 . 2 1 1 A 10 10 TRP H H 10 8.181 7.878 0.303 1
1 53 . 2 1 1 A 10 10 TRP HA H 10 4.835 4.672 0.163 1
1 60 . 2 1 1 A 11 11 ILE H H 11 7.502 7.854 -0.352 1
1 61 . 2 1 1 A 11 11 ILE HA H 11 4.715 4.922 -0.207 1
1 69 . 2 1 1 A 12 12 PRO HA H 12 4.376 4.420 -0.044 1
1 75 . 2 1 1 A 13 13 CYS H H 13 8.302 8.679 -0.377 1
1 76 . 2 1 1 A 13 13 CYS HA H 13 4.230 4.625 -0.395 1
1 79 . 2 1 1 A 14 14 ILE H H 14 9.342 8.260 1.082 1
1 80 . 2 1 1 A 14 14 ILE HA H 14 4.223 3.857 0.366 1
1 81 . 2 1 1 A 15 15 SER H H 15 9.647 8.303 1.344 1
1 82 . 2 1 1 A 15 15 SER HA H 15 4.401 4.276 0.125 1
1 85 . 2 1 1 A 16 16 SER H H 16 7.753 7.744 0.009 1
1 86 . 2 1 1 A 16 16 SER HA H 16 4.651 4.536 0.115 1
1 89 . 2 1 1 A 17 17 ALA H H 17 8.329 7.744 0.585 1
1 90 . 2 1 1 A 17 17 ALA HA H 17 4.278 4.201 0.077 1
1 94 . 2 1 1 A 18 18 ILE H H 18 7.275 7.633 -0.358 1
1 95 . 2 1 1 A 18 18 ILE HA H 18 4.421 4.183 0.238 1
1 105 . 2 1 1 A 19 19 GLY H H 19 7.870 7.642 0.228 1
1 106 . 2 1 1 A 19 19 GLY HA2 H 19 4.310 3.999 0.311 1
1 107 . 2 1 1 A 19 19 GLY HA3 H 19 3.742 4.000 -0.258 1
1 108 . 2 1 1 A 20 20 CYS H H 20 7.618 7.568 0.050 1
1 109 . 2 1 1 A 20 20 CYS HA H 20 4.797 4.908 -0.111 1
1 112 . 2 1 1 A 21 21 SER H H 21 9.389 8.928 0.461 1
1 113 . 2 1 1 A 21 21 SER HA H 21 4.710 5.100 -0.390 1
1 116 . 2 1 1 A 22 22 CYS H H 22 8.752 8.868 -0.116 1
1 117 . 2 1 1 A 22 22 CYS HA H 22 4.645 4.624 0.021 1
1 120 . 2 1 1 A 23 23 LYS H H 23 9.574 9.165 0.409 1
1 121 . 2 1 1 A 23 23 LYS HA H 23 4.604 4.596 0.008 1
1 133 . 2 1 1 A 24 24 SER H H 24 9.233 9.384 -0.151 1
1 134 . 2 1 1 A 24 24 SER HA H 24 4.714 4.174 0.540 1
1 137 . 2 1 1 A 25 25 LYS H H 25 8.111 8.436 -0.325 1
1 138 . 2 1 1 A 25 25 LYS HA H 25 3.501 3.888 -0.387 1
1 150 . 2 1 1 A 26 26 VAL H H 26 7.957 7.858 0.099 1
1 151 . 2 1 1 A 26 26 VAL HA H 26 4.191 4.446 -0.255 1
1 159 . 2 1 1 A 27 27 CYS H H 27 7.700 8.861 -1.161 1
1 160 . 2 1 1 A 27 27 CYS HA H 27 5.068 5.618 -0.550 1
1 163 . 2 1 1 A 28 28 TYR H H 28 9.577 9.541 0.036 1
1 164 . 2 1 1 A 28 28 TYR HA H 28 5.110 5.253 -0.143 1
1 169 . 2 1 1 A 29 29 ARG H H 29 9.293 9.398 -0.105 1
1 170 . 2 1 1 A 29 29 ARG HA H 29 4.712 4.706 0.006 1
1 4 . 3 1 1 A 2 2 ILE H H 2 8.038 7.443 0.595 1
1 5 . 3 1 1 A 2 2 ILE HA H 2 4.766 4.442 0.324 1
1 15 . 3 1 1 A 3 3 PRO HA H 3 4.128 4.148 -0.020 1
1 22 . 3 1 1 A 4 4 CYS H H 4 8.441 8.999 -0.558 1
1 23 . 3 1 1 A 4 4 CYS HA H 4 4.541 4.429 0.112 1
1 26 . 3 1 1 A 5 5 GLY H H 5 8.861 8.087 0.774 1
1 27 . 3 1 1 A 5 5 GLY HA2 H 5 4.035 3.891 0.144 1
1 28 . 3 1 1 A 5 5 GLY HA3 H 5 3.645 3.918 -0.273 1
1 29 . 3 1 1 A 6 6 GLU H H 6 7.629 7.938 -0.309 1
1 30 . 3 1 1 A 6 6 GLU HA H 6 4.563 4.402 0.161 1
1 35 . 3 1 1 A 7 7 SER H H 7 8.775 8.799 -0.024 1
1 36 . 3 1 1 A 7 7 SER HA H 7 4.689 5.169 -0.480 1
1 39 . 3 1 1 A 8 8 CYS H H 8 8.006 8.653 -0.647 1
1 40 . 3 1 1 A 8 8 CYS HA H 8 5.324 5.007 0.317 1
1 43 . 3 1 1 A 9 9 VAL H H 9 7.917 8.001 -0.084 1
1 44 . 3 1 1 A 9 9 VAL HA H 9 3.376 3.594 -0.218 1
1 52 . 3 1 1 A 10 10 TRP H H 10 8.181 7.727 0.454 1
1 53 . 3 1 1 A 10 10 TRP HA H 10 4.835 4.701 0.134 1
1 60 . 3 1 1 A 11 11 ILE H H 11 7.502 7.883 -0.381 1
1 61 . 3 1 1 A 11 11 ILE HA H 11 4.715 4.742 -0.027 1
1 69 . 3 1 1 A 12 12 PRO HA H 12 4.376 4.454 -0.078 1
1 75 . 3 1 1 A 13 13 CYS H H 13 8.302 8.572 -0.270 1
1 76 . 3 1 1 A 13 13 CYS HA H 13 4.230 4.642 -0.412 1
1 79 . 3 1 1 A 14 14 ILE H H 14 9.342 8.618 0.724 1
1 80 . 3 1 1 A 14 14 ILE HA H 14 4.223 4.011 0.212 1
1 81 . 3 1 1 A 15 15 SER H H 15 9.647 8.416 1.231 1
1 82 . 3 1 1 A 15 15 SER HA H 15 4.401 4.429 -0.028 1
1 85 . 3 1 1 A 16 16 SER H H 16 7.753 8.189 -0.436 1
1 86 . 3 1 1 A 16 16 SER HA H 16 4.651 4.469 0.182 1
1 89 . 3 1 1 A 17 17 ALA H H 17 8.329 7.710 0.619 1
1 90 . 3 1 1 A 17 17 ALA HA H 17 4.278 4.178 0.100 1
1 94 . 3 1 1 A 18 18 ILE H H 18 7.275 7.395 -0.120 1
1 95 . 3 1 1 A 18 18 ILE HA H 18 4.421 4.008 0.413 1
1 105 . 3 1 1 A 19 19 GLY H H 19 7.870 7.516 0.354 1
1 106 . 3 1 1 A 19 19 GLY HA2 H 19 4.310 3.963 0.347 1
1 107 . 3 1 1 A 19 19 GLY HA3 H 19 3.742 3.964 -0.222 1
1 108 . 3 1 1 A 20 20 CYS H H 20 7.618 7.633 -0.015 1
1 109 . 3 1 1 A 20 20 CYS HA H 20 4.797 5.012 -0.215 1
1 112 . 3 1 1 A 21 21 SER H H 21 9.389 9.419 -0.030 1
1 113 . 3 1 1 A 21 21 SER HA H 21 4.710 5.124 -0.414 1
1 116 . 3 1 1 A 22 22 CYS H H 22 8.752 8.825 -0.073 1
1 117 . 3 1 1 A 22 22 CYS HA H 22 4.645 4.782 -0.137 1
1 120 . 3 1 1 A 23 23 LYS H H 23 9.574 9.428 0.146 1
1 121 . 3 1 1 A 23 23 LYS HA H 23 4.604 4.613 -0.009 1
1 133 . 3 1 1 A 24 24 SER H H 24 9.233 9.332 -0.099 1
1 134 . 3 1 1 A 24 24 SER HA H 24 4.714 4.170 0.544 1
1 137 . 3 1 1 A 25 25 LYS H H 25 8.111 8.463 -0.352 1
1 138 . 3 1 1 A 25 25 LYS HA H 25 3.501 3.913 -0.412 1
1 150 . 3 1 1 A 26 26 VAL H H 26 7.957 7.780 0.177 1
1 151 . 3 1 1 A 26 26 VAL HA H 26 4.191 4.420 -0.229 1
1 159 . 3 1 1 A 27 27 CYS H H 27 7.700 8.794 -1.094 1
1 160 . 3 1 1 A 27 27 CYS HA H 27 5.068 5.757 -0.689 1
1 163 . 3 1 1 A 28 28 TYR H H 28 9.577 9.553 0.024 1
1 164 . 3 1 1 A 28 28 TYR HA H 28 5.110 5.260 -0.150 1
1 169 . 3 1 1 A 29 29 ARG H H 29 9.293 9.432 -0.139 1
1 170 . 3 1 1 A 29 29 ARG HA H 29 4.712 4.727 -0.015 1
1 4 . 4 1 1 A 2 2 ILE H H 2 8.038 7.562 0.476 1
1 5 . 4 1 1 A 2 2 ILE HA H 2 4.766 4.352 0.414 1
1 15 . 4 1 1 A 3 3 PRO HA H 3 4.128 3.993 0.135 1
1 22 . 4 1 1 A 4 4 CYS H H 4 8.441 8.948 -0.507 1
1 23 . 4 1 1 A 4 4 CYS HA H 4 4.541 4.443 0.098 1
1 26 . 4 1 1 A 5 5 GLY H H 5 8.861 8.107 0.754 1
1 27 . 4 1 1 A 5 5 GLY HA2 H 5 4.035 3.903 0.132 1
1 28 . 4 1 1 A 5 5 GLY HA3 H 5 3.645 3.930 -0.285 1
1 29 . 4 1 1 A 6 6 GLU H H 6 7.629 7.983 -0.354 1
1 30 . 4 1 1 A 6 6 GLU HA H 6 4.563 4.316 0.247 1
1 35 . 4 1 1 A 7 7 SER H H 7 8.775 8.789 -0.014 1
1 36 . 4 1 1 A 7 7 SER HA H 7 4.689 4.972 -0.283 1
1 39 . 4 1 1 A 8 8 CYS H H 8 8.006 8.759 -0.753 1
1 40 . 4 1 1 A 8 8 CYS HA H 8 5.324 5.319 0.005 1
1 43 . 4 1 1 A 9 9 VAL H H 9 7.917 7.986 -0.069 1
1 44 . 4 1 1 A 9 9 VAL HA H 9 3.376 3.601 -0.225 1
1 52 . 4 1 1 A 10 10 TRP H H 10 8.181 7.820 0.361 1
1 53 . 4 1 1 A 10 10 TRP HA H 10 4.835 4.801 0.034 1
1 60 . 4 1 1 A 11 11 ILE H H 11 7.502 7.675 -0.173 1
1 61 . 4 1 1 A 11 11 ILE HA H 11 4.715 4.669 0.046 1
1 69 . 4 1 1 A 12 12 PRO HA H 12 4.376 4.461 -0.085 1
1 75 . 4 1 1 A 13 13 CYS H H 13 8.302 8.535 -0.233 1
1 76 . 4 1 1 A 13 13 CYS HA H 13 4.230 4.638 -0.408 1
1 79 . 4 1 1 A 14 14 ILE H H 14 9.342 8.610 0.732 1
1 80 . 4 1 1 A 14 14 ILE HA H 14 4.223 3.843 0.380 1
1 81 . 4 1 1 A 15 15 SER H H 15 9.647 7.929 1.718 1
1 82 . 4 1 1 A 15 15 SER HA H 15 4.401 4.901 -0.500 1
1 85 . 4 1 1 A 16 16 SER H H 16 7.753 8.222 -0.469 1
1 86 . 4 1 1 A 16 16 SER HA H 16 4.651 4.651 0.000 1
1 89 . 4 1 1 A 17 17 ALA H H 17 8.329 7.963 0.366 1
1 90 . 4 1 1 A 17 17 ALA HA H 17 4.278 4.164 0.114 1
1 94 . 4 1 1 A 18 18 ILE H H 18 7.275 7.566 -0.291 1
1 95 . 4 1 1 A 18 18 ILE HA H 18 4.421 4.070 0.351 1
1 105 . 4 1 1 A 19 19 GLY H H 19 7.870 7.507 0.363 1
1 106 . 4 1 1 A 19 19 GLY HA2 H 19 4.310 3.981 0.329 1
1 107 . 4 1 1 A 19 19 GLY HA3 H 19 3.742 3.982 -0.240 1
1 108 . 4 1 1 A 20 20 CYS H H 20 7.618 7.864 -0.246 1
1 109 . 4 1 1 A 20 20 CYS HA H 20 4.797 5.154 -0.357 1
1 112 . 4 1 1 A 21 21 SER H H 21 9.389 9.526 -0.137 1
1 113 . 4 1 1 A 21 21 SER HA H 21 4.710 4.922 -0.212 1
1 116 . 4 1 1 A 22 22 CYS H H 22 8.752 8.781 -0.029 1
1 117 . 4 1 1 A 22 22 CYS HA H 22 4.645 4.662 -0.017 1
1 120 . 4 1 1 A 23 23 LYS H H 23 9.574 9.329 0.245 1
1 121 . 4 1 1 A 23 23 LYS HA H 23 4.604 4.499 0.105 1
1 133 . 4 1 1 A 24 24 SER H H 24 9.233 9.379 -0.146 1
1 134 . 4 1 1 A 24 24 SER HA H 24 4.714 4.172 0.542 1
1 137 . 4 1 1 A 25 25 LYS H H 25 8.111 8.463 -0.352 1
1 138 . 4 1 1 A 25 25 LYS HA H 25 3.501 3.802 -0.301 1
1 150 . 4 1 1 A 26 26 VAL H H 26 7.957 7.756 0.201 1
1 151 . 4 1 1 A 26 26 VAL HA H 26 4.191 4.461 -0.270 1
1 159 . 4 1 1 A 27 27 CYS H H 27 7.700 9.182 -1.482 1
1 160 . 4 1 1 A 27 27 CYS HA H 27 5.068 5.652 -0.584 1
1 163 . 4 1 1 A 28 28 TYR H H 28 9.577 9.752 -0.175 1
1 164 . 4 1 1 A 28 28 TYR HA H 28 5.110 5.259 -0.149 1
1 169 . 4 1 1 A 29 29 ARG H H 29 9.293 9.398 -0.105 1
1 170 . 4 1 1 A 29 29 ARG HA H 29 4.712 4.769 -0.057 1
1 4 . 5 1 1 A 2 2 ILE H H 2 8.038 7.502 0.536 1
1 5 . 5 1 1 A 2 2 ILE HA H 2 4.766 4.375 0.391 1
1 15 . 5 1 1 A 3 3 PRO HA H 3 4.128 4.087 0.041 1
1 22 . 5 1 1 A 4 4 CYS H H 4 8.441 8.942 -0.501 1
1 23 . 5 1 1 A 4 4 CYS HA H 4 4.541 4.418 0.123 1
1 26 . 5 1 1 A 5 5 GLY H H 5 8.861 8.045 0.816 1
1 27 . 5 1 1 A 5 5 GLY HA2 H 5 4.035 3.882 0.153 1
1 28 . 5 1 1 A 5 5 GLY HA3 H 5 3.645 3.907 -0.262 1
1 29 . 5 1 1 A 6 6 GLU H H 6 7.629 7.925 -0.296 1
1 30 . 5 1 1 A 6 6 GLU HA H 6 4.563 4.440 0.123 1
1 35 . 5 1 1 A 7 7 SER H H 7 8.775 8.804 -0.029 1
1 36 . 5 1 1 A 7 7 SER HA H 7 4.689 5.111 -0.422 1
1 39 . 5 1 1 A 8 8 CYS H H 8 8.006 8.542 -0.536 1
1 40 . 5 1 1 A 8 8 CYS HA H 8 5.324 5.259 0.065 1
1 43 . 5 1 1 A 9 9 VAL H H 9 7.917 7.964 -0.047 1
1 44 . 5 1 1 A 9 9 VAL HA H 9 3.376 3.394 -0.018 1
1 52 . 5 1 1 A 10 10 TRP H H 10 8.181 7.808 0.373 1
1 53 . 5 1 1 A 10 10 TRP HA H 10 4.835 4.786 0.049 1
1 60 . 5 1 1 A 11 11 ILE H H 11 7.502 7.779 -0.277 1
1 61 . 5 1 1 A 11 11 ILE HA H 11 4.715 4.872 -0.157 1
1 69 . 5 1 1 A 12 12 PRO HA H 12 4.376 4.405 -0.029 1
1 75 . 5 1 1 A 13 13 CYS H H 13 8.302 8.673 -0.371 1
1 76 . 5 1 1 A 13 13 CYS HA H 13 4.230 4.641 -0.411 1
1 79 . 5 1 1 A 14 14 ILE H H 14 9.342 8.715 0.627 1
1 80 . 5 1 1 A 14 14 ILE HA H 14 4.223 3.753 0.470 1
1 81 . 5 1 1 A 15 15 SER H H 15 9.647 8.672 0.975 1
1 82 . 5 1 1 A 15 15 SER HA H 15 4.401 4.260 0.141 1
1 85 . 5 1 1 A 16 16 SER H H 16 7.753 8.140 -0.387 1
1 86 . 5 1 1 A 16 16 SER HA H 16 4.651 4.099 0.552 1
1 89 . 5 1 1 A 17 17 ALA H H 17 8.329 7.694 0.635 1
1 90 . 5 1 1 A 17 17 ALA HA H 17 4.278 4.185 0.093 1
1 94 . 5 1 1 A 18 18 ILE H H 18 7.275 7.537 -0.262 1
1 95 . 5 1 1 A 18 18 ILE HA H 18 4.421 4.047 0.374 1
1 105 . 5 1 1 A 19 19 GLY H H 19 7.870 7.355 0.515 1
1 106 . 5 1 1 A 19 19 GLY HA2 H 19 4.310 4.004 0.306 1
1 107 . 5 1 1 A 19 19 GLY HA3 H 19 3.742 4.005 -0.263 1
1 108 . 5 1 1 A 20 20 CYS H H 20 7.618 7.576 0.042 1
1 109 . 5 1 1 A 20 20 CYS HA H 20 4.797 5.341 -0.544 1
1 112 . 5 1 1 A 21 21 SER H H 21 9.389 9.418 -0.029 1
1 113 . 5 1 1 A 21 21 SER HA H 21 4.710 4.988 -0.278 1
1 116 . 5 1 1 A 22 22 CYS H H 22 8.752 8.812 -0.060 1
1 117 . 5 1 1 A 22 22 CYS HA H 22 4.645 4.700 -0.055 1
1 120 . 5 1 1 A 23 23 LYS H H 23 9.574 9.431 0.143 1
1 121 . 5 1 1 A 23 23 LYS HA H 23 4.604 4.554 0.050 1
1 133 . 5 1 1 A 24 24 SER H H 24 9.233 9.323 -0.090 1
1 134 . 5 1 1 A 24 24 SER HA H 24 4.714 4.160 0.554 1
1 137 . 5 1 1 A 25 25 LYS H H 25 8.111 8.460 -0.349 1
1 138 . 5 1 1 A 25 25 LYS HA H 25 3.501 3.824 -0.323 1
1 150 . 5 1 1 A 26 26 VAL H H 26 7.957 7.729 0.228 1
1 151 . 5 1 1 A 26 26 VAL HA H 26 4.191 4.467 -0.276 1
1 159 . 5 1 1 A 27 27 CYS H H 27 7.700 8.845 -1.145 1
1 160 . 5 1 1 A 27 27 CYS HA H 27 5.068 5.613 -0.545 1
1 163 . 5 1 1 A 28 28 TYR H H 28 9.577 9.553 0.024 1
1 164 . 5 1 1 A 28 28 TYR HA H 28 5.110 5.216 -0.106 1
1 169 . 5 1 1 A 29 29 ARG H H 29 9.293 9.356 -0.063 1
1 170 . 5 1 1 A 29 29 ARG HA H 29 4.712 4.668 0.044 1
1 4 . 6 1 1 A 2 2 ILE H H 2 8.038 7.600 0.438 1
1 5 . 6 1 1 A 2 2 ILE HA H 2 4.766 4.437 0.329 1
1 15 . 6 1 1 A 3 3 PRO HA H 3 4.128 4.057 0.071 1
1 22 . 6 1 1 A 4 4 CYS H H 4 8.441 9.005 -0.564 1
1 23 . 6 1 1 A 4 4 CYS HA H 4 4.541 4.423 0.118 1
1 26 . 6 1 1 A 5 5 GLY H H 5 8.861 7.998 0.863 1
1 27 . 6 1 1 A 5 5 GLY HA2 H 5 4.035 3.888 0.147 1
1 28 . 6 1 1 A 5 5 GLY HA3 H 5 3.645 3.913 -0.268 1
1 29 . 6 1 1 A 6 6 GLU H H 6 7.629 7.948 -0.319 1
1 30 . 6 1 1 A 6 6 GLU HA H 6 4.563 4.378 0.185 1
1 35 . 6 1 1 A 7 7 SER H H 7 8.775 8.772 0.003 1
1 36 . 6 1 1 A 7 7 SER HA H 7 4.689 5.114 -0.425 1
1 39 . 6 1 1 A 8 8 CYS H H 8 8.006 8.620 -0.614 1
1 40 . 6 1 1 A 8 8 CYS HA H 8 5.324 5.265 0.059 1
1 43 . 6 1 1 A 9 9 VAL H H 9 7.917 8.069 -0.152 1
1 44 . 6 1 1 A 9 9 VAL HA H 9 3.376 3.661 -0.285 1
1 52 . 6 1 1 A 10 10 TRP H H 10 8.181 7.712 0.469 1
1 53 . 6 1 1 A 10 10 TRP HA H 10 4.835 4.708 0.127 1
1 60 . 6 1 1 A 11 11 ILE H H 11 7.502 7.896 -0.394 1
1 61 . 6 1 1 A 11 11 ILE HA H 11 4.715 4.924 -0.209 1
1 69 . 6 1 1 A 12 12 PRO HA H 12 4.376 4.422 -0.046 1
1 75 . 6 1 1 A 13 13 CYS H H 13 8.302 8.680 -0.378 1
1 76 . 6 1 1 A 13 13 CYS HA H 13 4.230 4.645 -0.415 1
1 79 . 6 1 1 A 14 14 ILE H H 14 9.342 8.298 1.044 1
1 80 . 6 1 1 A 14 14 ILE HA H 14 4.223 3.761 0.462 1
1 81 . 6 1 1 A 15 15 SER H H 15 9.647 7.960 1.687 1
1 82 . 6 1 1 A 15 15 SER HA H 15 4.401 4.332 0.069 1
1 85 . 6 1 1 A 16 16 SER H H 16 7.753 7.860 -0.107 1
1 86 . 6 1 1 A 16 16 SER HA H 16 4.651 4.628 0.023 1
1 89 . 6 1 1 A 17 17 ALA H H 17 8.329 7.587 0.742 1
1 90 . 6 1 1 A 17 17 ALA HA H 17 4.278 4.156 0.122 1
1 94 . 6 1 1 A 18 18 ILE H H 18 7.275 7.512 -0.237 1
1 95 . 6 1 1 A 18 18 ILE HA H 18 4.421 4.060 0.361 1
1 105 . 6 1 1 A 19 19 GLY H H 19 7.870 7.428 0.442 1
1 106 . 6 1 1 A 19 19 GLY HA2 H 19 4.310 3.972 0.338 1
1 107 . 6 1 1 A 19 19 GLY HA3 H 19 3.742 3.973 -0.231 1
1 108 . 6 1 1 A 20 20 CYS H H 20 7.618 7.696 -0.078 1
1 109 . 6 1 1 A 20 20 CYS HA H 20 4.797 4.908 -0.111 1
1 112 . 6 1 1 A 21 21 SER H H 21 9.389 9.390 -0.001 1
1 113 . 6 1 1 A 21 21 SER HA H 21 4.710 5.005 -0.295 1
1 116 . 6 1 1 A 22 22 CYS H H 22 8.752 8.787 -0.035 1
1 117 . 6 1 1 A 22 22 CYS HA H 22 4.645 4.612 0.033 1
1 120 . 6 1 1 A 23 23 LYS H H 23 9.574 9.226 0.348 1
1 121 . 6 1 1 A 23 23 LYS HA H 23 4.604 4.612 -0.008 1
1 133 . 6 1 1 A 24 24 SER H H 24 9.233 9.327 -0.094 1
1 134 . 6 1 1 A 24 24 SER HA H 24 4.714 4.168 0.546 1
1 137 . 6 1 1 A 25 25 LYS H H 25 8.111 8.458 -0.347 1
1 138 . 6 1 1 A 25 25 LYS HA H 25 3.501 3.849 -0.348 1
1 150 . 6 1 1 A 26 26 VAL H H 26 7.957 7.761 0.196 1
1 151 . 6 1 1 A 26 26 VAL HA H 26 4.191 4.486 -0.295 1
1 159 . 6 1 1 A 27 27 CYS H H 27 7.700 8.890 -1.190 1
1 160 . 6 1 1 A 27 27 CYS HA H 27 5.068 5.547 -0.479 1
1 163 . 6 1 1 A 28 28 TYR H H 28 9.577 9.536 0.041 1
1 164 . 6 1 1 A 28 28 TYR HA H 28 5.110 5.257 -0.147 1
1 169 . 6 1 1 A 29 29 ARG H H 29 9.293 9.386 -0.093 1
1 170 . 6 1 1 A 29 29 ARG HA H 29 4.712 4.702 0.010 1
1 4 . 7 1 1 A 2 2 ILE H H 2 8.038 7.977 0.061 1
1 5 . 7 1 1 A 2 2 ILE HA H 2 4.766 4.436 0.330 1
1 15 . 7 1 1 A 3 3 PRO HA H 3 4.128 4.011 0.117 1
1 22 . 7 1 1 A 4 4 CYS H H 4 8.441 8.920 -0.479 1
1 23 . 7 1 1 A 4 4 CYS HA H 4 4.541 4.425 0.116 1
1 26 . 7 1 1 A 5 5 GLY H H 5 8.861 8.055 0.806 1
1 27 . 7 1 1 A 5 5 GLY HA2 H 5 4.035 3.878 0.157 1
1 28 . 7 1 1 A 5 5 GLY HA3 H 5 3.645 3.905 -0.260 1
1 29 . 7 1 1 A 6 6 GLU H H 6 7.629 7.933 -0.304 1
1 30 . 7 1 1 A 6 6 GLU HA H 6 4.563 4.388 0.175 1
1 35 . 7 1 1 A 7 7 SER H H 7 8.775 8.820 -0.045 1
1 36 . 7 1 1 A 7 7 SER HA H 7 4.689 4.894 -0.205 1
1 39 . 7 1 1 A 8 8 CYS H H 8 8.006 8.784 -0.778 1
1 40 . 7 1 1 A 8 8 CYS HA H 8 5.324 5.018 0.306 1
1 43 . 7 1 1 A 9 9 VAL H H 9 7.917 7.854 0.063 1
1 44 . 7 1 1 A 9 9 VAL HA H 9 3.376 3.419 -0.043 1
1 52 . 7 1 1 A 10 10 TRP H H 10 8.181 7.817 0.364 1
1 53 . 7 1 1 A 10 10 TRP HA H 10 4.835 4.808 0.027 1
1 60 . 7 1 1 A 11 11 ILE H H 11 7.502 7.628 -0.126 1
1 61 . 7 1 1 A 11 11 ILE HA H 11 4.715 4.884 -0.169 1
1 69 . 7 1 1 A 12 12 PRO HA H 12 4.376 4.412 -0.036 1
1 75 . 7 1 1 A 13 13 CYS H H 13 8.302 8.739 -0.437 1
1 76 . 7 1 1 A 13 13 CYS HA H 13 4.230 4.635 -0.405 1
1 79 . 7 1 1 A 14 14 ILE H H 14 9.342 8.719 0.623 1
1 80 . 7 1 1 A 14 14 ILE HA H 14 4.223 4.015 0.208 1
1 81 . 7 1 1 A 15 15 SER H H 15 9.647 8.563 1.084 1
1 82 . 7 1 1 A 15 15 SER HA H 15 4.401 4.304 0.097 1
1 85 . 7 1 1 A 16 16 SER H H 16 7.753 8.095 -0.342 1
1 86 . 7 1 1 A 16 16 SER HA H 16 4.651 4.152 0.499 1
1 89 . 7 1 1 A 17 17 ALA H H 17 8.329 7.718 0.611 1
1 90 . 7 1 1 A 17 17 ALA HA H 17 4.278 4.189 0.089 1
1 94 . 7 1 1 A 18 18 ILE H H 18 7.275 7.492 -0.217 1
1 95 . 7 1 1 A 18 18 ILE HA H 18 4.421 3.959 0.462 1
1 105 . 7 1 1 A 19 19 GLY H H 19 7.870 7.431 0.439 1
1 106 . 7 1 1 A 19 19 GLY HA2 H 19 4.310 3.982 0.328 1
1 107 . 7 1 1 A 19 19 GLY HA3 H 19 3.742 3.982 -0.240 1
1 108 . 7 1 1 A 20 20 CYS H H 20 7.618 7.696 -0.078 1
1 109 . 7 1 1 A 20 20 CYS HA H 20 4.797 5.339 -0.542 1
1 112 . 7 1 1 A 21 21 SER H H 21 9.389 9.362 0.027 1
1 113 . 7 1 1 A 21 21 SER HA H 21 4.710 5.255 -0.545 1
1 116 . 7 1 1 A 22 22 CYS H H 22 8.752 8.857 -0.105 1
1 117 . 7 1 1 A 22 22 CYS HA H 22 4.645 4.718 -0.073 1
1 120 . 7 1 1 A 23 23 LYS H H 23 9.574 9.373 0.201 1
1 121 . 7 1 1 A 23 23 LYS HA H 23 4.604 4.627 -0.023 1
1 133 . 7 1 1 A 24 24 SER H H 24 9.233 9.313 -0.080 1
1 134 . 7 1 1 A 24 24 SER HA H 24 4.714 4.159 0.555 1
1 137 . 7 1 1 A 25 25 LYS H H 25 8.111 8.321 -0.210 1
1 138 . 7 1 1 A 25 25 LYS HA H 25 3.501 3.906 -0.405 1
1 150 . 7 1 1 A 26 26 VAL H H 26 7.957 7.822 0.135 1
1 151 . 7 1 1 A 26 26 VAL HA H 26 4.191 4.439 -0.248 1
1 159 . 7 1 1 A 27 27 CYS H H 27 7.700 8.863 -1.163 1
1 160 . 7 1 1 A 27 27 CYS HA H 27 5.068 5.641 -0.573 1
1 163 . 7 1 1 A 28 28 TYR H H 28 9.577 9.559 0.018 1
1 164 . 7 1 1 A 28 28 TYR HA H 28 5.110 5.222 -0.112 1
1 169 . 7 1 1 A 29 29 ARG H H 29 9.293 9.296 -0.003 1
1 170 . 7 1 1 A 29 29 ARG HA H 29 4.712 4.774 -0.062 1
1 4 . 8 1 1 A 2 2 ILE H H 2 8.038 7.650 0.388 1
1 5 . 8 1 1 A 2 2 ILE HA H 2 4.766 4.374 0.392 1
1 15 . 8 1 1 A 3 3 PRO HA H 3 4.128 3.936 0.192 1
1 22 . 8 1 1 A 4 4 CYS H H 4 8.441 8.969 -0.528 1
1 23 . 8 1 1 A 4 4 CYS HA H 4 4.541 4.439 0.102 1
1 26 . 8 1 1 A 5 5 GLY H H 5 8.861 8.129 0.732 1
1 27 . 8 1 1 A 5 5 GLY HA2 H 5 4.035 3.898 0.137 1
1 28 . 8 1 1 A 5 5 GLY HA3 H 5 3.645 3.924 -0.279 1
1 29 . 8 1 1 A 6 6 GLU H H 6 7.629 7.969 -0.340 1
1 30 . 8 1 1 A 6 6 GLU HA H 6 4.563 4.365 0.198 1
1 35 . 8 1 1 A 7 7 SER H H 7 8.775 8.865 -0.090 1
1 36 . 8 1 1 A 7 7 SER HA H 7 4.689 5.123 -0.434 1
1 39 . 8 1 1 A 8 8 CYS H H 8 8.006 8.698 -0.692 1
1 40 . 8 1 1 A 8 8 CYS HA H 8 5.324 5.296 0.028 1
1 43 . 8 1 1 A 9 9 VAL H H 9 7.917 7.998 -0.081 1
1 44 . 8 1 1 A 9 9 VAL HA H 9 3.376 3.582 -0.206 1
1 52 . 8 1 1 A 10 10 TRP H H 10 8.181 7.901 0.280 1
1 53 . 8 1 1 A 10 10 TRP HA H 10 4.835 4.685 0.150 1
1 60 . 8 1 1 A 11 11 ILE H H 11 7.502 7.965 -0.463 1
1 61 . 8 1 1 A 11 11 ILE HA H 11 4.715 4.940 -0.225 1
1 69 . 8 1 1 A 12 12 PRO HA H 12 4.376 4.424 -0.048 1
1 75 . 8 1 1 A 13 13 CYS H H 13 8.302 8.691 -0.389 1
1 76 . 8 1 1 A 13 13 CYS HA H 13 4.230 4.636 -0.406 1
1 79 . 8 1 1 A 14 14 ILE H H 14 9.342 8.652 0.690 1
1 80 . 8 1 1 A 14 14 ILE HA H 14 4.223 3.839 0.384 1
1 81 . 8 1 1 A 15 15 SER H H 15 9.647 8.361 1.286 1
1 82 . 8 1 1 A 15 15 SER HA H 15 4.401 4.530 -0.129 1
1 85 . 8 1 1 A 16 16 SER H H 16 7.753 8.147 -0.394 1
1 86 . 8 1 1 A 16 16 SER HA H 16 4.651 4.535 0.116 1
1 89 . 8 1 1 A 17 17 ALA H H 17 8.329 7.931 0.398 1
1 90 . 8 1 1 A 17 17 ALA HA H 17 4.278 4.177 0.101 1
1 94 . 8 1 1 A 18 18 ILE H H 18 7.275 7.408 -0.133 1
1 95 . 8 1 1 A 18 18 ILE HA H 18 4.421 4.072 0.349 1
1 105 . 8 1 1 A 19 19 GLY H H 19 7.870 7.500 0.370 1
1 106 . 8 1 1 A 19 19 GLY HA2 H 19 4.310 3.976 0.334 1
1 107 . 8 1 1 A 19 19 GLY HA3 H 19 3.742 3.977 -0.235 1
1 108 . 8 1 1 A 20 20 CYS H H 20 7.618 7.701 -0.083 1
1 109 . 8 1 1 A 20 20 CYS HA H 20 4.797 4.976 -0.179 1
1 112 . 8 1 1 A 21 21 SER H H 21 9.389 9.397 -0.008 1
1 113 . 8 1 1 A 21 21 SER HA H 21 4.710 4.982 -0.272 1
1 116 . 8 1 1 A 22 22 CYS H H 22 8.752 8.846 -0.094 1
1 117 . 8 1 1 A 22 22 CYS HA H 22 4.645 4.652 -0.007 1
1 120 . 8 1 1 A 23 23 LYS H H 23 9.574 9.215 0.359 1
1 121 . 8 1 1 A 23 23 LYS HA H 23 4.604 4.623 -0.019 1
1 133 . 8 1 1 A 24 24 SER H H 24 9.233 9.328 -0.095 1
1 134 . 8 1 1 A 24 24 SER HA H 24 4.714 4.167 0.547 1
1 137 . 8 1 1 A 25 25 LYS H H 25 8.111 8.461 -0.350 1
1 138 . 8 1 1 A 25 25 LYS HA H 25 3.501 3.822 -0.321 1
1 150 . 8 1 1 A 26 26 VAL H H 26 7.957 7.812 0.145 1
1 151 . 8 1 1 A 26 26 VAL HA H 26 4.191 4.449 -0.258 1
1 159 . 8 1 1 A 27 27 CYS H H 27 7.700 8.966 -1.266 1
1 160 . 8 1 1 A 27 27 CYS HA H 27 5.068 5.647 -0.579 1
1 163 . 8 1 1 A 28 28 TYR H H 28 9.577 9.571 0.006 1
1 164 . 8 1 1 A 28 28 TYR HA H 28 5.110 5.258 -0.148 1
1 169 . 8 1 1 A 29 29 ARG H H 29 9.293 9.366 -0.073 1
1 170 . 8 1 1 A 29 29 ARG HA H 29 4.712 4.742 -0.030 1
1 4 . 9 1 1 A 2 2 ILE H H 2 8.038 7.643 0.395 1
1 5 . 9 1 1 A 2 2 ILE HA H 2 4.766 4.482 0.284 1
1 15 . 9 1 1 A 3 3 PRO HA H 3 4.128 4.129 -0.001 1
1 22 . 9 1 1 A 4 4 CYS H H 4 8.441 8.949 -0.508 1
1 23 . 9 1 1 A 4 4 CYS HA H 4 4.541 4.432 0.109 1
1 26 . 9 1 1 A 5 5 GLY H H 5 8.861 8.080 0.781 1
1 27 . 9 1 1 A 5 5 GLY HA2 H 5 4.035 3.888 0.147 1
1 28 . 9 1 1 A 5 5 GLY HA3 H 5 3.645 3.914 -0.269 1
1 29 . 9 1 1 A 6 6 GLU H H 6 7.629 7.949 -0.320 1
1 30 . 9 1 1 A 6 6 GLU HA H 6 4.563 4.404 0.159 1
1 35 . 9 1 1 A 7 7 SER H H 7 8.775 8.785 -0.010 1
1 36 . 9 1 1 A 7 7 SER HA H 7 4.689 4.984 -0.295 1
1 39 . 9 1 1 A 8 8 CYS H H 8 8.006 8.576 -0.570 1
1 40 . 9 1 1 A 8 8 CYS HA H 8 5.324 5.148 0.176 1
1 43 . 9 1 1 A 9 9 VAL H H 9 7.917 7.934 -0.017 1
1 44 . 9 1 1 A 9 9 VAL HA H 9 3.376 3.494 -0.118 1
1 52 . 9 1 1 A 10 10 TRP H H 10 8.181 7.809 0.372 1
1 53 . 9 1 1 A 10 10 TRP HA H 10 4.835 4.801 0.034 1
1 60 . 9 1 1 A 11 11 ILE H H 11 7.502 7.920 -0.418 1
1 61 . 9 1 1 A 11 11 ILE HA H 11 4.715 4.685 0.030 1
1 69 . 9 1 1 A 12 12 PRO HA H 12 4.376 4.445 -0.069 1
1 75 . 9 1 1 A 13 13 CYS H H 13 8.302 8.616 -0.314 1
1 76 . 9 1 1 A 13 13 CYS HA H 13 4.230 4.638 -0.408 1
1 79 . 9 1 1 A 14 14 ILE H H 14 9.342 8.718 0.624 1
1 80 . 9 1 1 A 14 14 ILE HA H 14 4.223 3.757 0.466 1
1 81 . 9 1 1 A 15 15 SER H H 15 9.647 8.538 1.109 1
1 82 . 9 1 1 A 15 15 SER HA H 15 4.401 4.299 0.102 1
1 85 . 9 1 1 A 16 16 SER H H 16 7.753 8.166 -0.413 1
1 86 . 9 1 1 A 16 16 SER HA H 16 4.651 4.499 0.152 1
1 89 . 9 1 1 A 17 17 ALA H H 17 8.329 7.676 0.653 1
1 90 . 9 1 1 A 17 17 ALA HA H 17 4.278 4.175 0.103 1
1 94 . 9 1 1 A 18 18 ILE H H 18 7.275 7.446 -0.171 1
1 95 . 9 1 1 A 18 18 ILE HA H 18 4.421 4.070 0.351 1
1 105 . 9 1 1 A 19 19 GLY H H 19 7.870 7.510 0.360 1
1 106 . 9 1 1 A 19 19 GLY HA2 H 19 4.310 3.970 0.340 1
1 107 . 9 1 1 A 19 19 GLY HA3 H 19 3.742 3.971 -0.229 1
1 108 . 9 1 1 A 20 20 CYS H H 20 7.618 7.613 0.005 1
1 109 . 9 1 1 A 20 20 CYS HA H 20 4.797 4.866 -0.069 1
1 112 . 9 1 1 A 21 21 SER H H 21 9.389 8.949 0.440 1
1 113 . 9 1 1 A 21 21 SER HA H 21 4.710 5.233 -0.523 1
1 116 . 9 1 1 A 22 22 CYS H H 22 8.752 8.756 -0.004 1
1 117 . 9 1 1 A 22 22 CYS HA H 22 4.645 4.604 0.041 1
1 120 . 9 1 1 A 23 23 LYS H H 23 9.574 9.300 0.274 1
1 121 . 9 1 1 A 23 23 LYS HA H 23 4.604 4.629 -0.025 1
1 133 . 9 1 1 A 24 24 SER H H 24 9.233 9.323 -0.090 1
1 134 . 9 1 1 A 24 24 SER HA H 24 4.714 4.159 0.555 1
1 137 . 9 1 1 A 25 25 LYS H H 25 8.111 8.461 -0.350 1
1 138 . 9 1 1 A 25 25 LYS HA H 25 3.501 3.814 -0.313 1
1 150 . 9 1 1 A 26 26 VAL H H 26 7.957 7.696 0.261 1
1 151 . 9 1 1 A 26 26 VAL HA H 26 4.191 4.426 -0.235 1
1 159 . 9 1 1 A 27 27 CYS H H 27 7.700 8.755 -1.055 1
1 160 . 9 1 1 A 27 27 CYS HA H 27 5.068 5.565 -0.497 1
1 163 . 9 1 1 A 28 28 TYR H H 28 9.577 9.386 0.191 1
1 164 . 9 1 1 A 28 28 TYR HA H 28 5.110 5.199 -0.089 1
1 169 . 9 1 1 A 29 29 ARG H H 29 9.293 9.344 -0.051 1
1 170 . 9 1 1 A 29 29 ARG HA H 29 4.712 4.696 0.016 1
1 4 . 10 1 1 A 2 2 ILE H H 2 8.038 7.502 0.536 1
1 5 . 10 1 1 A 2 2 ILE HA H 2 4.766 4.447 0.319 1
1 15 . 10 1 1 A 3 3 PRO HA H 3 4.128 4.094 0.034 1
1 22 . 10 1 1 A 4 4 CYS H H 4 8.441 8.985 -0.544 1
1 23 . 10 1 1 A 4 4 CYS HA H 4 4.541 4.432 0.109 1
1 26 . 10 1 1 A 5 5 GLY H H 5 8.861 7.991 0.870 1
1 27 . 10 1 1 A 5 5 GLY HA2 H 5 4.035 3.885 0.150 1
1 28 . 10 1 1 A 5 5 GLY HA3 H 5 3.645 3.912 -0.267 1
1 29 . 10 1 1 A 6 6 GLU H H 6 7.629 7.931 -0.302 1
1 30 . 10 1 1 A 6 6 GLU HA H 6 4.563 4.379 0.184 1
1 35 . 10 1 1 A 7 7 SER H H 7 8.775 8.761 0.014 1
1 36 . 10 1 1 A 7 7 SER HA H 7 4.689 5.064 -0.375 1
1 39 . 10 1 1 A 8 8 CYS H H 8 8.006 8.645 -0.639 1
1 40 . 10 1 1 A 8 8 CYS HA H 8 5.324 5.129 0.195 1
1 43 . 10 1 1 A 9 9 VAL H H 9 7.917 7.985 -0.068 1
1 44 . 10 1 1 A 9 9 VAL HA H 9 3.376 3.511 -0.135 1
1 52 . 10 1 1 A 10 10 TRP H H 10 8.181 7.820 0.361 1
1 53 . 10 1 1 A 10 10 TRP HA H 10 4.835 4.827 0.008 1
1 60 . 10 1 1 A 11 11 ILE H H 11 7.502 7.873 -0.371 1
1 61 . 10 1 1 A 11 11 ILE HA H 11 4.715 4.723 -0.008 1
1 69 . 10 1 1 A 12 12 PRO HA H 12 4.376 4.455 -0.079 1
1 75 . 10 1 1 A 13 13 CYS H H 13 8.302 8.666 -0.364 1
1 76 . 10 1 1 A 13 13 CYS HA H 13 4.230 4.724 -0.494 1
1 79 . 10 1 1 A 14 14 ILE H H 14 9.342 9.143 0.199 1
1 80 . 10 1 1 A 14 14 ILE HA H 14 4.223 3.797 0.426 1
1 81 . 10 1 1 A 15 15 SER H H 15 9.647 8.028 1.619 1
1 82 . 10 1 1 A 15 15 SER HA H 15 4.401 4.609 -0.208 1
1 85 . 10 1 1 A 16 16 SER H H 16 7.753 8.249 -0.496 1
1 86 . 10 1 1 A 16 16 SER HA H 16 4.651 4.237 0.414 1
1 89 . 10 1 1 A 17 17 ALA H H 17 8.329 8.164 0.165 1
1 90 . 10 1 1 A 17 17 ALA HA H 17 4.278 4.203 0.075 1
1 94 . 10 1 1 A 18 18 ILE H H 18 7.275 7.660 -0.385 1
1 95 . 10 1 1 A 18 18 ILE HA H 18 4.421 4.248 0.173 1
1 105 . 10 1 1 A 19 19 GLY H H 19 7.870 7.736 0.134 1
1 106 . 10 1 1 A 19 19 GLY HA2 H 19 4.310 4.006 0.304 1
1 107 . 10 1 1 A 19 19 GLY HA3 H 19 3.742 4.007 -0.265 1
1 108 . 10 1 1 A 20 20 CYS H H 20 7.618 7.460 0.158 1
1 109 . 10 1 1 A 20 20 CYS HA H 20 4.797 5.002 -0.205 1
1 112 . 10 1 1 A 21 21 SER H H 21 9.389 9.459 -0.070 1
1 113 . 10 1 1 A 21 21 SER HA H 21 4.710 5.003 -0.293 1
1 116 . 10 1 1 A 22 22 CYS H H 22 8.752 8.807 -0.055 1
1 117 . 10 1 1 A 22 22 CYS HA H 22 4.645 4.742 -0.097 1
1 120 . 10 1 1 A 23 23 LYS H H 23 9.574 9.444 0.130 1
1 121 . 10 1 1 A 23 23 LYS HA H 23 4.604 4.566 0.038 1
1 133 . 10 1 1 A 24 24 SER H H 24 9.233 9.322 -0.089 1
1 134 . 10 1 1 A 24 24 SER HA H 24 4.714 4.160 0.554 1
1 137 . 10 1 1 A 25 25 LYS H H 25 8.111 8.459 -0.348 1
1 138 . 10 1 1 A 25 25 LYS HA H 25 3.501 3.830 -0.329 1
1 150 . 10 1 1 A 26 26 VAL H H 26 7.957 7.671 0.286 1
1 151 . 10 1 1 A 26 26 VAL HA H 26 4.191 4.431 -0.240 1
1 159 . 10 1 1 A 27 27 CYS H H 27 7.700 8.798 -1.098 1
1 160 . 10 1 1 A 27 27 CYS HA H 27 5.068 5.702 -0.634 1
1 163 . 10 1 1 A 28 28 TYR H H 28 9.577 9.590 -0.013 1
1 164 . 10 1 1 A 28 28 TYR HA H 28 5.110 5.252 -0.142 1
1 169 . 10 1 1 A 29 29 ARG H H 29 9.293 9.373 -0.080 1
1 170 . 10 1 1 A 29 29 ARG HA H 29 4.712 4.701 0.011 1
1 4 . 11 1 1 A 2 2 ILE H H 2 8.038 7.614 0.424 1
1 5 . 11 1 1 A 2 2 ILE HA H 2 4.766 4.446 0.320 1
1 15 . 11 1 1 A 3 3 PRO HA H 3 4.128 3.948 0.180 1
1 22 . 11 1 1 A 4 4 CYS H H 4 8.441 9.006 -0.565 1
1 23 . 11 1 1 A 4 4 CYS HA H 4 4.541 4.416 0.125 1
1 26 . 11 1 1 A 5 5 GLY H H 5 8.861 8.004 0.857 1
1 27 . 11 1 1 A 5 5 GLY HA2 H 5 4.035 3.905 0.130 1
1 28 . 11 1 1 A 5 5 GLY HA3 H 5 3.645 3.930 -0.285 1
1 29 . 11 1 1 A 6 6 GLU H H 6 7.629 7.918 -0.289 1
1 30 . 11 1 1 A 6 6 GLU HA H 6 4.563 4.439 0.124 1
1 35 . 11 1 1 A 7 7 SER H H 7 8.775 8.805 -0.030 1
1 36 . 11 1 1 A 7 7 SER HA H 7 4.689 5.135 -0.446 1
1 39 . 11 1 1 A 8 8 CYS H H 8 8.006 8.538 -0.532 1
1 40 . 11 1 1 A 8 8 CYS HA H 8 5.324 5.461 -0.137 1
1 43 . 11 1 1 A 9 9 VAL H H 9 7.917 7.915 0.002 1
1 44 . 11 1 1 A 9 9 VAL HA H 9 3.376 3.405 -0.029 1
1 52 . 11 1 1 A 10 10 TRP H H 10 8.181 7.944 0.237 1
1 53 . 11 1 1 A 10 10 TRP HA H 10 4.835 4.668 0.167 1
1 60 . 11 1 1 A 11 11 ILE H H 11 7.502 7.953 -0.451 1
1 61 . 11 1 1 A 11 11 ILE HA H 11 4.715 4.879 -0.164 1
1 69 . 11 1 1 A 12 12 PRO HA H 12 4.376 4.446 -0.070 1
1 75 . 11 1 1 A 13 13 CYS H H 13 8.302 8.623 -0.321 1
1 76 . 11 1 1 A 13 13 CYS HA H 13 4.230 4.665 -0.435 1
1 79 . 11 1 1 A 14 14 ILE H H 14 9.342 8.651 0.691 1
1 80 . 11 1 1 A 14 14 ILE HA H 14 4.223 3.842 0.381 1
1 81 . 11 1 1 A 15 15 SER H H 15 9.647 8.326 1.321 1
1 82 . 11 1 1 A 15 15 SER HA H 15 4.401 4.642 -0.241 1
1 85 . 11 1 1 A 16 16 SER H H 16 7.753 8.309 -0.556 1
1 86 . 11 1 1 A 16 16 SER HA H 16 4.651 4.254 0.397 1
1 89 . 11 1 1 A 17 17 ALA H H 17 8.329 8.137 0.192 1
1 90 . 11 1 1 A 17 17 ALA HA H 17 4.278 4.182 0.096 1
1 94 . 11 1 1 A 18 18 ILE H H 18 7.275 7.435 -0.160 1
1 95 . 11 1 1 A 18 18 ILE HA H 18 4.421 3.998 0.423 1
1 105 . 11 1 1 A 19 19 GLY H H 19 7.870 7.815 0.055 1
1 106 . 11 1 1 A 19 19 GLY HA2 H 19 4.310 4.005 0.305 1
1 107 . 11 1 1 A 19 19 GLY HA3 H 19 3.742 4.005 -0.263 1
1 108 . 11 1 1 A 20 20 CYS H H 20 7.618 7.852 -0.234 1
1 109 . 11 1 1 A 20 20 CYS HA H 20 4.797 5.211 -0.414 1
1 112 . 11 1 1 A 21 21 SER H H 21 9.389 9.391 -0.002 1
1 113 . 11 1 1 A 21 21 SER HA H 21 4.710 4.952 -0.242 1
1 116 . 11 1 1 A 22 22 CYS H H 22 8.752 8.776 -0.024 1
1 117 . 11 1 1 A 22 22 CYS HA H 22 4.645 4.675 -0.030 1
1 120 . 11 1 1 A 23 23 LYS H H 23 9.574 9.277 0.297 1
1 121 . 11 1 1 A 23 23 LYS HA H 23 4.604 4.627 -0.023 1
1 133 . 11 1 1 A 24 24 SER H H 24 9.233 9.346 -0.113 1
1 134 . 11 1 1 A 24 24 SER HA H 24 4.714 4.080 0.634 1
1 137 . 11 1 1 A 25 25 LYS H H 25 8.111 8.465 -0.354 1
1 138 . 11 1 1 A 25 25 LYS HA H 25 3.501 3.828 -0.327 1
1 150 . 11 1 1 A 26 26 VAL H H 26 7.957 7.691 0.266 1
1 151 . 11 1 1 A 26 26 VAL HA H 26 4.191 4.455 -0.264 1
1 159 . 11 1 1 A 27 27 CYS H H 27 7.700 8.787 -1.087 1
1 160 . 11 1 1 A 27 27 CYS HA H 27 5.068 5.607 -0.539 1
1 163 . 11 1 1 A 28 28 TYR H H 28 9.577 9.472 0.105 1
1 164 . 11 1 1 A 28 28 TYR HA H 28 5.110 5.258 -0.148 1
1 169 . 11 1 1 A 29 29 ARG H H 29 9.293 9.317 -0.024 1
1 170 . 11 1 1 A 29 29 ARG HA H 29 4.712 4.724 -0.012 1
1 4 . 12 1 1 A 2 2 ILE H H 2 8.038 7.572 0.466 1
1 5 . 12 1 1 A 2 2 ILE HA H 2 4.766 4.448 0.318 1
1 15 . 12 1 1 A 3 3 PRO HA H 3 4.128 3.968 0.160 1
1 22 . 12 1 1 A 4 4 CYS H H 4 8.441 8.984 -0.543 1
1 23 . 12 1 1 A 4 4 CYS HA H 4 4.541 4.415 0.126 1
1 26 . 12 1 1 A 5 5 GLY H H 5 8.861 8.000 0.861 1
1 27 . 12 1 1 A 5 5 GLY HA2 H 5 4.035 3.887 0.148 1
1 28 . 12 1 1 A 5 5 GLY HA3 H 5 3.645 3.914 -0.269 1
1 29 . 12 1 1 A 6 6 GLU H H 6 7.629 7.948 -0.319 1
1 30 . 12 1 1 A 6 6 GLU HA H 6 4.563 4.373 0.190 1
1 35 . 12 1 1 A 7 7 SER H H 7 8.775 8.776 -0.001 1
1 36 . 12 1 1 A 7 7 SER HA H 7 4.689 5.145 -0.456 1
1 39 . 12 1 1 A 8 8 CYS H H 8 8.006 8.664 -0.658 1
1 40 . 12 1 1 A 8 8 CYS HA H 8 5.324 5.158 0.166 1
1 43 . 12 1 1 A 9 9 VAL H H 9 7.917 8.052 -0.135 1
1 44 . 12 1 1 A 9 9 VAL HA H 9 3.376 3.456 -0.080 1
1 52 . 12 1 1 A 10 10 TRP H H 10 8.181 7.717 0.464 1
1 53 . 12 1 1 A 10 10 TRP HA H 10 4.835 4.715 0.120 1
1 60 . 12 1 1 A 11 11 ILE H H 11 7.502 7.826 -0.324 1
1 61 . 12 1 1 A 11 11 ILE HA H 11 4.715 4.874 -0.159 1
1 69 . 12 1 1 A 12 12 PRO HA H 12 4.376 4.416 -0.040 1
1 75 . 12 1 1 A 13 13 CYS H H 13 8.302 8.674 -0.372 1
1 76 . 12 1 1 A 13 13 CYS HA H 13 4.230 4.614 -0.384 1
1 79 . 12 1 1 A 14 14 ILE H H 14 9.342 8.865 0.477 1
1 80 . 12 1 1 A 14 14 ILE HA H 14 4.223 4.023 0.200 1
1 81 . 12 1 1 A 15 15 SER H H 15 9.647 7.826 1.821 1
1 82 . 12 1 1 A 15 15 SER HA H 15 4.401 4.568 -0.167 1
1 85 . 12 1 1 A 16 16 SER H H 16 7.753 8.317 -0.564 1
1 86 . 12 1 1 A 16 16 SER HA H 16 4.651 4.719 -0.068 1
1 89 . 12 1 1 A 17 17 ALA H H 17 8.329 7.943 0.386 1
1 90 . 12 1 1 A 17 17 ALA HA H 17 4.278 4.166 0.112 1
1 94 . 12 1 1 A 18 18 ILE H H 18 7.275 7.569 -0.294 1
1 95 . 12 1 1 A 18 18 ILE HA H 18 4.421 4.079 0.342 1
1 105 . 12 1 1 A 19 19 GLY H H 19 7.870 7.587 0.283 1
1 106 . 12 1 1 A 19 19 GLY HA2 H 19 4.310 3.974 0.336 1
1 107 . 12 1 1 A 19 19 GLY HA3 H 19 3.742 3.974 -0.232 1
1 108 . 12 1 1 A 20 20 CYS H H 20 7.618 7.742 -0.124 1
1 109 . 12 1 1 A 20 20 CYS HA H 20 4.797 4.943 -0.146 1
1 112 . 12 1 1 A 21 21 SER H H 21 9.389 9.374 0.015 1
1 113 . 12 1 1 A 21 21 SER HA H 21 4.710 4.988 -0.278 1
1 116 . 12 1 1 A 22 22 CYS H H 22 8.752 8.802 -0.050 1
1 117 . 12 1 1 A 22 22 CYS HA H 22 4.645 4.728 -0.083 1
1 120 . 12 1 1 A 23 23 LYS H H 23 9.574 9.418 0.156 1
1 121 . 12 1 1 A 23 23 LYS HA H 23 4.604 4.560 0.044 1
1 133 . 12 1 1 A 24 24 SER H H 24 9.233 9.327 -0.094 1
1 134 . 12 1 1 A 24 24 SER HA H 24 4.714 4.171 0.543 1
1 137 . 12 1 1 A 25 25 LYS H H 25 8.111 8.446 -0.335 1
1 138 . 12 1 1 A 25 25 LYS HA H 25 3.501 3.797 -0.296 1
1 150 . 12 1 1 A 26 26 VAL H H 26 7.957 7.777 0.180 1
1 151 . 12 1 1 A 26 26 VAL HA H 26 4.191 4.461 -0.270 1
1 159 . 12 1 1 A 27 27 CYS H H 27 7.700 8.945 -1.245 1
1 160 . 12 1 1 A 27 27 CYS HA H 27 5.068 5.683 -0.615 1
1 163 . 12 1 1 A 28 28 TYR H H 28 9.577 9.570 0.007 1
1 164 . 12 1 1 A 28 28 TYR HA H 28 5.110 5.259 -0.149 1
1 169 . 12 1 1 A 29 29 ARG H H 29 9.293 9.356 -0.063 1
1 170 . 12 1 1 A 29 29 ARG HA H 29 4.712 4.702 0.010 1
1 4 . 13 1 1 A 2 2 ILE H H 2 8.038 7.515 0.523 1
1 5 . 13 1 1 A 2 2 ILE HA H 2 4.766 4.474 0.292 1
1 15 . 13 1 1 A 3 3 PRO HA H 3 4.128 4.117 0.011 1
1 22 . 13 1 1 A 4 4 CYS H H 4 8.441 8.990 -0.549 1
1 23 . 13 1 1 A 4 4 CYS HA H 4 4.541 4.426 0.115 1
1 26 . 13 1 1 A 5 5 GLY H H 5 8.861 8.076 0.785 1
1 27 . 13 1 1 A 5 5 GLY HA2 H 5 4.035 3.894 0.141 1
1 28 . 13 1 1 A 5 5 GLY HA3 H 5 3.645 3.920 -0.275 1
1 29 . 13 1 1 A 6 6 GLU H H 6 7.629 7.939 -0.310 1
1 30 . 13 1 1 A 6 6 GLU HA H 6 4.563 4.384 0.179 1
1 35 . 13 1 1 A 7 7 SER H H 7 8.775 8.841 -0.066 1
1 36 . 13 1 1 A 7 7 SER HA H 7 4.689 5.210 -0.521 1
1 39 . 13 1 1 A 8 8 CYS H H 8 8.006 8.694 -0.688 1
1 40 . 13 1 1 A 8 8 CYS HA H 8 5.324 4.920 0.404 1
1 43 . 13 1 1 A 9 9 VAL H H 9 7.917 8.010 -0.093 1
1 44 . 13 1 1 A 9 9 VAL HA H 9 3.376 3.651 -0.275 1
1 52 . 13 1 1 A 10 10 TRP H H 10 8.181 7.774 0.407 1
1 53 . 13 1 1 A 10 10 TRP HA H 10 4.835 4.708 0.127 1
1 60 . 13 1 1 A 11 11 ILE H H 11 7.502 7.789 -0.287 1
1 61 . 13 1 1 A 11 11 ILE HA H 11 4.715 4.692 0.023 1
1 69 . 13 1 1 A 12 12 PRO HA H 12 4.376 4.457 -0.081 1
1 75 . 13 1 1 A 13 13 CYS H H 13 8.302 8.631 -0.329 1
1 76 . 13 1 1 A 13 13 CYS HA H 13 4.230 4.601 -0.371 1
1 79 . 13 1 1 A 14 14 ILE H H 14 9.342 8.852 0.490 1
1 80 . 13 1 1 A 14 14 ILE HA H 14 4.223 3.753 0.470 1
1 81 . 13 1 1 A 15 15 SER H H 15 9.647 8.475 1.172 1
1 82 . 13 1 1 A 15 15 SER HA H 15 4.401 4.427 -0.026 1
1 85 . 13 1 1 A 16 16 SER H H 16 7.753 8.166 -0.413 1
1 86 . 13 1 1 A 16 16 SER HA H 16 4.651 4.481 0.170 1
1 89 . 13 1 1 A 17 17 ALA H H 17 8.329 7.660 0.669 1
1 90 . 13 1 1 A 17 17 ALA HA H 17 4.278 4.176 0.102 1
1 94 . 13 1 1 A 18 18 ILE H H 18 7.275 7.395 -0.120 1
1 95 . 13 1 1 A 18 18 ILE HA H 18 4.421 4.180 0.241 1
1 105 . 13 1 1 A 19 19 GLY H H 19 7.870 7.596 0.274 1
1 106 . 13 1 1 A 19 19 GLY HA2 H 19 4.310 4.000 0.310 1
1 107 . 13 1 1 A 19 19 GLY HA3 H 19 3.742 4.001 -0.259 1
1 108 . 13 1 1 A 20 20 CYS H H 20 7.618 7.736 -0.118 1
1 109 . 13 1 1 A 20 20 CYS HA H 20 4.797 4.960 -0.163 1
1 112 . 13 1 1 A 21 21 SER H H 21 9.389 9.333 0.056 1
1 113 . 13 1 1 A 21 21 SER HA H 21 4.710 5.005 -0.295 1
1 116 . 13 1 1 A 22 22 CYS H H 22 8.752 8.802 -0.050 1
1 117 . 13 1 1 A 22 22 CYS HA H 22 4.645 4.659 -0.014 1
1 120 . 13 1 1 A 23 23 LYS H H 23 9.574 9.361 0.213 1
1 121 . 13 1 1 A 23 23 LYS HA H 23 4.604 4.526 0.078 1
1 133 . 13 1 1 A 24 24 SER H H 24 9.233 9.389 -0.156 1
1 134 . 13 1 1 A 24 24 SER HA H 24 4.714 4.181 0.533 1
1 137 . 13 1 1 A 25 25 LYS H H 25 8.111 8.542 -0.431 1
1 138 . 13 1 1 A 25 25 LYS HA H 25 3.501 4.085 -0.584 1
1 150 . 13 1 1 A 26 26 VAL H H 26 7.957 7.785 0.172 1
1 151 . 13 1 1 A 26 26 VAL HA H 26 4.191 4.466 -0.275 1
1 159 . 13 1 1 A 27 27 CYS H H 27 7.700 9.034 -1.334 1
1 160 . 13 1 1 A 27 27 CYS HA H 27 5.068 5.619 -0.551 1
1 163 . 13 1 1 A 28 28 TYR H H 28 9.577 9.660 -0.083 1
1 164 . 13 1 1 A 28 28 TYR HA H 28 5.110 5.287 -0.177 1
1 169 . 13 1 1 A 29 29 ARG H H 29 9.293 9.366 -0.073 1
1 170 . 13 1 1 A 29 29 ARG HA H 29 4.712 4.683 0.029 1
1 4 . 14 1 1 A 2 2 ILE H H 2 8.038 7.688 0.350 1
1 5 . 14 1 1 A 2 2 ILE HA H 2 4.766 4.458 0.308 1
1 15 . 14 1 1 A 3 3 PRO HA H 3 4.128 3.991 0.137 1
1 22 . 14 1 1 A 4 4 CYS H H 4 8.441 8.922 -0.481 1
1 23 . 14 1 1 A 4 4 CYS HA H 4 4.541 4.416 0.125 1
1 26 . 14 1 1 A 5 5 GLY H H 5 8.861 8.013 0.848 1
1 27 . 14 1 1 A 5 5 GLY HA2 H 5 4.035 3.892 0.143 1
1 28 . 14 1 1 A 5 5 GLY HA3 H 5 3.645 3.917 -0.272 1
1 29 . 14 1 1 A 6 6 GLU H H 6 7.629 7.901 -0.272 1
1 30 . 14 1 1 A 6 6 GLU HA H 6 4.563 4.432 0.131 1
1 35 . 14 1 1 A 7 7 SER H H 7 8.775 8.798 -0.023 1
1 36 . 14 1 1 A 7 7 SER HA H 7 4.689 5.128 -0.439 1
1 39 . 14 1 1 A 8 8 CYS H H 8 8.006 8.608 -0.602 1
1 40 . 14 1 1 A 8 8 CYS HA H 8 5.324 5.235 0.089 1
1 43 . 14 1 1 A 9 9 VAL H H 9 7.917 7.947 -0.030 1
1 44 . 14 1 1 A 9 9 VAL HA H 9 3.376 3.548 -0.172 1
1 52 . 14 1 1 A 10 10 TRP H H 10 8.181 7.841 0.340 1
1 53 . 14 1 1 A 10 10 TRP HA H 10 4.835 4.784 0.051 1
1 60 . 14 1 1 A 11 11 ILE H H 11 7.502 7.781 -0.279 1
1 61 . 14 1 1 A 11 11 ILE HA H 11 4.715 4.872 -0.157 1
1 69 . 14 1 1 A 12 12 PRO HA H 12 4.376 4.404 -0.028 1
1 75 . 14 1 1 A 13 13 CYS H H 13 8.302 8.674 -0.372 1
1 76 . 14 1 1 A 13 13 CYS HA H 13 4.230 4.731 -0.501 1
1 79 . 14 1 1 A 14 14 ILE H H 14 9.342 9.266 0.076 1
1 80 . 14 1 1 A 14 14 ILE HA H 14 4.223 3.755 0.468 1
1 81 . 14 1 1 A 15 15 SER H H 15 9.647 8.456 1.191 1
1 82 . 14 1 1 A 15 15 SER HA H 15 4.401 4.292 0.109 1
1 85 . 14 1 1 A 16 16 SER H H 16 7.753 8.163 -0.410 1
1 86 . 14 1 1 A 16 16 SER HA H 16 4.651 4.111 0.540 1
1 89 . 14 1 1 A 17 17 ALA H H 17 8.329 7.496 0.833 1
1 90 . 14 1 1 A 17 17 ALA HA H 17 4.278 4.181 0.097 1
1 94 . 14 1 1 A 18 18 ILE H H 18 7.275 7.474 -0.199 1
1 95 . 14 1 1 A 18 18 ILE HA H 18 4.421 4.005 0.416 1
1 105 . 14 1 1 A 19 19 GLY H H 19 7.870 7.358 0.512 1
1 106 . 14 1 1 A 19 19 GLY HA2 H 19 4.310 3.999 0.311 1
1 107 . 14 1 1 A 19 19 GLY HA3 H 19 3.742 4.000 -0.258 1
1 108 . 14 1 1 A 20 20 CYS H H 20 7.618 7.554 0.064 1
1 109 . 14 1 1 A 20 20 CYS HA H 20 4.797 5.162 -0.365 1
1 112 . 14 1 1 A 21 21 SER H H 21 9.389 9.450 -0.061 1
1 113 . 14 1 1 A 21 21 SER HA H 21 4.710 5.025 -0.315 1
1 116 . 14 1 1 A 22 22 CYS H H 22 8.752 8.859 -0.107 1
1 117 . 14 1 1 A 22 22 CYS HA H 22 4.645 4.570 0.075 1
1 120 . 14 1 1 A 23 23 LYS H H 23 9.574 8.801 0.773 1
1 121 . 14 1 1 A 23 23 LYS HA H 23 4.604 4.690 -0.086 1
1 133 . 14 1 1 A 24 24 SER H H 24 9.233 9.431 -0.198 1
1 134 . 14 1 1 A 24 24 SER HA H 24 4.714 4.076 0.638 1
1 137 . 14 1 1 A 25 25 LYS H H 25 8.111 8.635 -0.524 1
1 138 . 14 1 1 A 25 25 LYS HA H 25 3.501 4.008 -0.507 1
1 150 . 14 1 1 A 26 26 VAL H H 26 7.957 7.643 0.314 1
1 151 . 14 1 1 A 26 26 VAL HA H 26 4.191 4.478 -0.287 1
1 159 . 14 1 1 A 27 27 CYS H H 27 7.700 8.811 -1.111 1
1 160 . 14 1 1 A 27 27 CYS HA H 27 5.068 5.260 -0.192 1
1 163 . 14 1 1 A 28 28 TYR H H 28 9.577 9.301 0.276 1
1 164 . 14 1 1 A 28 28 TYR HA H 28 5.110 5.231 -0.121 1
1 169 . 14 1 1 A 29 29 ARG H H 29 9.293 9.370 -0.077 1
1 170 . 14 1 1 A 29 29 ARG HA H 29 4.712 4.688 0.024 1
1 4 . 15 1 1 A 2 2 ILE H H 2 8.038 7.658 0.380 1
1 5 . 15 1 1 A 2 2 ILE HA H 2 4.766 4.450 0.316 1
1 15 . 15 1 1 A 3 3 PRO HA H 3 4.128 3.936 0.192 1
1 22 . 15 1 1 A 4 4 CYS H H 4 8.441 8.991 -0.550 1
1 23 . 15 1 1 A 4 4 CYS HA H 4 4.541 4.424 0.117 1
1 26 . 15 1 1 A 5 5 GLY H H 5 8.861 8.122 0.739 1
1 27 . 15 1 1 A 5 5 GLY HA2 H 5 4.035 3.894 0.141 1
1 28 . 15 1 1 A 5 5 GLY HA3 H 5 3.645 3.918 -0.273 1
1 29 . 15 1 1 A 6 6 GLU H H 6 7.629 7.931 -0.302 1
1 30 . 15 1 1 A 6 6 GLU HA H 6 4.563 4.408 0.155 1
1 35 . 15 1 1 A 7 7 SER H H 7 8.775 8.792 -0.017 1
1 36 . 15 1 1 A 7 7 SER HA H 7 4.689 5.239 -0.550 1
1 39 . 15 1 1 A 8 8 CYS H H 8 8.006 8.688 -0.682 1
1 40 . 15 1 1 A 8 8 CYS HA H 8 5.324 5.321 0.003 1
1 43 . 15 1 1 A 9 9 VAL H H 9 7.917 8.044 -0.127 1
1 44 . 15 1 1 A 9 9 VAL HA H 9 3.376 3.575 -0.199 1
1 52 . 15 1 1 A 10 10 TRP H H 10 8.181 7.973 0.208 1
1 53 . 15 1 1 A 10 10 TRP HA H 10 4.835 4.686 0.149 1
1 60 . 15 1 1 A 11 11 ILE H H 11 7.502 7.922 -0.420 1
1 61 . 15 1 1 A 11 11 ILE HA H 11 4.715 4.933 -0.218 1
1 69 . 15 1 1 A 12 12 PRO HA H 12 4.376 4.470 -0.094 1
1 75 . 15 1 1 A 13 13 CYS H H 13 8.302 8.692 -0.390 1
1 76 . 15 1 1 A 13 13 CYS HA H 13 4.230 4.659 -0.429 1
1 79 . 15 1 1 A 14 14 ILE H H 14 9.342 8.727 0.615 1
1 80 . 15 1 1 A 14 14 ILE HA H 14 4.223 3.773 0.450 1
1 81 . 15 1 1 A 15 15 SER H H 15 9.647 8.422 1.225 1
1 82 . 15 1 1 A 15 15 SER HA H 15 4.401 4.487 -0.086 1
1 85 . 15 1 1 A 16 16 SER H H 16 7.753 8.179 -0.426 1
1 86 . 15 1 1 A 16 16 SER HA H 16 4.651 4.500 0.151 1
1 89 . 15 1 1 A 17 17 ALA H H 17 8.329 7.918 0.411 1
1 90 . 15 1 1 A 17 17 ALA HA H 17 4.278 4.177 0.101 1
1 94 . 15 1 1 A 18 18 ILE H H 18 7.275 7.572 -0.297 1
1 95 . 15 1 1 A 18 18 ILE HA H 18 4.421 4.077 0.344 1
1 105 . 15 1 1 A 19 19 GLY H H 19 7.870 7.473 0.397 1
1 106 . 15 1 1 A 19 19 GLY HA2 H 19 4.310 3.967 0.343 1
1 107 . 15 1 1 A 19 19 GLY HA3 H 19 3.742 3.967 -0.225 1
1 108 . 15 1 1 A 20 20 CYS H H 20 7.618 7.737 -0.119 1
1 109 . 15 1 1 A 20 20 CYS HA H 20 4.797 4.994 -0.197 1
1 112 . 15 1 1 A 21 21 SER H H 21 9.389 9.408 -0.019 1
1 113 . 15 1 1 A 21 21 SER HA H 21 4.710 4.962 -0.252 1
1 116 . 15 1 1 A 22 22 CYS H H 22 8.752 8.787 -0.035 1
1 117 . 15 1 1 A 22 22 CYS HA H 22 4.645 4.651 -0.006 1
1 120 . 15 1 1 A 23 23 LYS H H 23 9.574 9.212 0.362 1
1 121 . 15 1 1 A 23 23 LYS HA H 23 4.604 4.599 0.005 1
1 133 . 15 1 1 A 24 24 SER H H 24 9.233 9.335 -0.102 1
1 134 . 15 1 1 A 24 24 SER HA H 24 4.714 4.171 0.543 1
1 137 . 15 1 1 A 25 25 LYS H H 25 8.111 8.530 -0.419 1
1 138 . 15 1 1 A 25 25 LYS HA H 25 3.501 4.074 -0.573 1
1 150 . 15 1 1 A 26 26 VAL H H 26 7.957 7.797 0.160 1
1 151 . 15 1 1 A 26 26 VAL HA H 26 4.191 4.388 -0.197 1
1 159 . 15 1 1 A 27 27 CYS H H 27 7.700 8.836 -1.136 1
1 160 . 15 1 1 A 27 27 CYS HA H 27 5.068 5.576 -0.508 1
1 163 . 15 1 1 A 28 28 TYR H H 28 9.577 9.533 0.044 1
1 164 . 15 1 1 A 28 28 TYR HA H 28 5.110 5.191 -0.081 1
1 169 . 15 1 1 A 29 29 ARG H H 29 9.293 9.372 -0.079 1
1 170 . 15 1 1 A 29 29 ARG HA H 29 4.712 4.706 0.006 1
1 4 . 16 1 1 A 2 2 ILE H H 2 8.038 7.516 0.522 1
1 5 . 16 1 1 A 2 2 ILE HA H 2 4.766 4.469 0.297 1
1 15 . 16 1 1 A 3 3 PRO HA H 3 4.128 4.060 0.068 1
1 22 . 16 1 1 A 4 4 CYS H H 4 8.441 8.986 -0.545 1
1 23 . 16 1 1 A 4 4 CYS HA H 4 4.541 4.424 0.117 1
1 26 . 16 1 1 A 5 5 GLY H H 5 8.861 8.022 0.839 1
1 27 . 16 1 1 A 5 5 GLY HA2 H 5 4.035 3.888 0.147 1
1 28 . 16 1 1 A 5 5 GLY HA3 H 5 3.645 3.915 -0.270 1
1 29 . 16 1 1 A 6 6 GLU H H 6 7.629 7.928 -0.299 1
1 30 . 16 1 1 A 6 6 GLU HA H 6 4.563 4.412 0.151 1
1 35 . 16 1 1 A 7 7 SER H H 7 8.775 8.769 0.006 1
1 36 . 16 1 1 A 7 7 SER HA H 7 4.689 5.091 -0.402 1
1 39 . 16 1 1 A 8 8 CYS H H 8 8.006 8.586 -0.580 1
1 40 . 16 1 1 A 8 8 CYS HA H 8 5.324 5.246 0.078 1
1 43 . 16 1 1 A 9 9 VAL H H 9 7.917 7.966 -0.049 1
1 44 . 16 1 1 A 9 9 VAL HA H 9 3.376 3.443 -0.067 1
1 52 . 16 1 1 A 10 10 TRP H H 10 8.181 7.789 0.392 1
1 53 . 16 1 1 A 10 10 TRP HA H 10 4.835 4.801 0.034 1
1 60 . 16 1 1 A 11 11 ILE H H 11 7.502 7.626 -0.124 1
1 61 . 16 1 1 A 11 11 ILE HA H 11 4.715 4.803 -0.088 1
1 69 . 16 1 1 A 12 12 PRO HA H 12 4.376 4.406 -0.030 1
1 75 . 16 1 1 A 13 13 CYS H H 13 8.302 8.685 -0.383 1
1 76 . 16 1 1 A 13 13 CYS HA H 13 4.230 4.655 -0.425 1
1 79 . 16 1 1 A 14 14 ILE H H 14 9.342 8.729 0.613 1
1 80 . 16 1 1 A 14 14 ILE HA H 14 4.223 3.757 0.466 1
1 81 . 16 1 1 A 15 15 SER H H 15 9.647 8.563 1.084 1
1 82 . 16 1 1 A 15 15 SER HA H 15 4.401 4.421 -0.020 1
1 85 . 16 1 1 A 16 16 SER H H 16 7.753 8.213 -0.460 1
1 86 . 16 1 1 A 16 16 SER HA H 16 4.651 4.581 0.070 1
1 89 . 16 1 1 A 17 17 ALA H H 17 8.329 7.664 0.665 1
1 90 . 16 1 1 A 17 17 ALA HA H 17 4.278 4.169 0.109 1
1 94 . 16 1 1 A 18 18 ILE H H 18 7.275 7.391 -0.116 1
1 95 . 16 1 1 A 18 18 ILE HA H 18 4.421 4.037 0.384 1
1 105 . 16 1 1 A 19 19 GLY H H 19 7.870 7.429 0.441 1
1 106 . 16 1 1 A 19 19 GLY HA2 H 19 4.310 3.973 0.337 1
1 107 . 16 1 1 A 19 19 GLY HA3 H 19 3.742 3.974 -0.232 1
1 108 . 16 1 1 A 20 20 CYS H H 20 7.618 7.751 -0.133 1
1 109 . 16 1 1 A 20 20 CYS HA H 20 4.797 4.889 -0.092 1
1 112 . 16 1 1 A 21 21 SER H H 21 9.389 9.201 0.188 1
1 113 . 16 1 1 A 21 21 SER HA H 21 4.710 5.108 -0.398 1
1 116 . 16 1 1 A 22 22 CYS H H 22 8.752 8.807 -0.055 1
1 117 . 16 1 1 A 22 22 CYS HA H 22 4.645 4.754 -0.109 1
1 120 . 16 1 1 A 23 23 LYS H H 23 9.574 9.402 0.172 1
1 121 . 16 1 1 A 23 23 LYS HA H 23 4.604 4.638 -0.034 1
1 133 . 16 1 1 A 24 24 SER H H 24 9.233 9.012 0.221 1
1 134 . 16 1 1 A 24 24 SER HA H 24 4.714 4.166 0.548 1
1 137 . 16 1 1 A 25 25 LYS H H 25 8.111 8.475 -0.364 1
1 138 . 16 1 1 A 25 25 LYS HA H 25 3.501 3.815 -0.314 1
1 150 . 16 1 1 A 26 26 VAL H H 26 7.957 7.855 0.102 1
1 151 . 16 1 1 A 26 26 VAL HA H 26 4.191 4.423 -0.232 1
1 159 . 16 1 1 A 27 27 CYS H H 27 7.700 8.778 -1.078 1
1 160 . 16 1 1 A 27 27 CYS HA H 27 5.068 5.653 -0.585 1
1 163 . 16 1 1 A 28 28 TYR H H 28 9.577 9.566 0.011 1
1 164 . 16 1 1 A 28 28 TYR HA H 28 5.110 5.271 -0.161 1
1 169 . 16 1 1 A 29 29 ARG H H 29 9.293 9.372 -0.079 1
1 170 . 16 1 1 A 29 29 ARG HA H 29 4.712 4.668 0.044 1
1 4 . 17 1 1 A 2 2 ILE H H 2 8.038 7.528 0.510 1
1 5 . 17 1 1 A 2 2 ILE HA H 2 4.766 4.402 0.364 1
1 15 . 17 1 1 A 3 3 PRO HA H 3 4.128 3.913 0.215 1
1 22 . 17 1 1 A 4 4 CYS H H 4 8.441 8.933 -0.492 1
1 23 . 17 1 1 A 4 4 CYS HA H 4 4.541 4.422 0.119 1
1 26 . 17 1 1 A 5 5 GLY H H 5 8.861 8.110 0.751 1
1 27 . 17 1 1 A 5 5 GLY HA2 H 5 4.035 3.879 0.156 1
1 28 . 17 1 1 A 5 5 GLY HA3 H 5 3.645 3.906 -0.261 1
1 29 . 17 1 1 A 6 6 GLU H H 6 7.629 7.917 -0.288 1
1 30 . 17 1 1 A 6 6 GLU HA H 6 4.563 4.407 0.156 1
1 35 . 17 1 1 A 7 7 SER H H 7 8.775 8.715 0.060 1
1 36 . 17 1 1 A 7 7 SER HA H 7 4.689 5.136 -0.447 1
1 39 . 17 1 1 A 8 8 CYS H H 8 8.006 8.508 -0.502 1
1 40 . 17 1 1 A 8 8 CYS HA H 8 5.324 5.302 0.022 1
1 43 . 17 1 1 A 9 9 VAL H H 9 7.917 7.926 -0.009 1
1 44 . 17 1 1 A 9 9 VAL HA H 9 3.376 3.561 -0.185 1
1 52 . 17 1 1 A 10 10 TRP H H 10 8.181 7.820 0.361 1
1 53 . 17 1 1 A 10 10 TRP HA H 10 4.835 4.773 0.062 1
1 60 . 17 1 1 A 11 11 ILE H H 11 7.502 7.669 -0.167 1
1 61 . 17 1 1 A 11 11 ILE HA H 11 4.715 4.807 -0.092 1
1 69 . 17 1 1 A 12 12 PRO HA H 12 4.376 4.407 -0.031 1
1 75 . 17 1 1 A 13 13 CYS H H 13 8.302 8.686 -0.384 1
1 76 . 17 1 1 A 13 13 CYS HA H 13 4.230 4.656 -0.426 1
1 79 . 17 1 1 A 14 14 ILE H H 14 9.342 8.727 0.615 1
1 80 . 17 1 1 A 14 14 ILE HA H 14 4.223 3.758 0.465 1
1 81 . 17 1 1 A 15 15 SER H H 15 9.647 8.521 1.126 1
1 82 . 17 1 1 A 15 15 SER HA H 15 4.401 4.427 -0.026 1
1 85 . 17 1 1 A 16 16 SER H H 16 7.753 8.189 -0.436 1
1 86 . 17 1 1 A 16 16 SER HA H 16 4.651 4.621 0.030 1
1 89 . 17 1 1 A 17 17 ALA H H 17 8.329 7.638 0.691 1
1 90 . 17 1 1 A 17 17 ALA HA H 17 4.278 4.163 0.115 1
1 94 . 17 1 1 A 18 18 ILE H H 18 7.275 7.385 -0.110 1
1 95 . 17 1 1 A 18 18 ILE HA H 18 4.421 4.045 0.376 1
1 105 . 17 1 1 A 19 19 GLY H H 19 7.870 7.432 0.438 1
1 106 . 17 1 1 A 19 19 GLY HA2 H 19 4.310 3.972 0.338 1
1 107 . 17 1 1 A 19 19 GLY HA3 H 19 3.742 3.973 -0.231 1
1 108 . 17 1 1 A 20 20 CYS H H 20 7.618 7.792 -0.174 1
1 109 . 17 1 1 A 20 20 CYS HA H 20 4.797 4.821 -0.024 1
1 112 . 17 1 1 A 21 21 SER H H 21 9.389 9.268 0.121 1
1 113 . 17 1 1 A 21 21 SER HA H 21 4.710 5.072 -0.362 1
1 116 . 17 1 1 A 22 22 CYS H H 22 8.752 8.783 -0.031 1
1 117 . 17 1 1 A 22 22 CYS HA H 22 4.645 4.710 -0.065 1
1 120 . 17 1 1 A 23 23 LYS H H 23 9.574 8.853 0.721 1
1 121 . 17 1 1 A 23 23 LYS HA H 23 4.604 4.733 -0.129 1
1 133 . 17 1 1 A 24 24 SER H H 24 9.233 9.347 -0.114 1
1 134 . 17 1 1 A 24 24 SER HA H 24 4.714 4.156 0.558 1
1 137 . 17 1 1 A 25 25 LYS H H 25 8.111 8.443 -0.332 1
1 138 . 17 1 1 A 25 25 LYS HA H 25 3.501 3.820 -0.319 1
1 150 . 17 1 1 A 26 26 VAL H H 26 7.957 7.706 0.251 1
1 151 . 17 1 1 A 26 26 VAL HA H 26 4.191 4.474 -0.283 1
1 159 . 17 1 1 A 27 27 CYS H H 27 7.700 8.827 -1.127 1
1 160 . 17 1 1 A 27 27 CYS HA H 27 5.068 5.666 -0.598 1
1 163 . 17 1 1 A 28 28 TYR H H 28 9.577 9.493 0.084 1
1 164 . 17 1 1 A 28 28 TYR HA H 28 5.110 5.266 -0.156 1
1 169 . 17 1 1 A 29 29 ARG H H 29 9.293 9.335 -0.042 1
1 170 . 17 1 1 A 29 29 ARG HA H 29 4.712 4.675 0.037 1
1 4 . 18 1 1 A 2 2 ILE H H 2 8.038 7.435 0.603 1
1 5 . 18 1 1 A 2 2 ILE HA H 2 4.766 4.378 0.388 1
1 15 . 18 1 1 A 3 3 PRO HA H 3 4.128 4.135 -0.007 1
1 22 . 18 1 1 A 4 4 CYS H H 4 8.441 9.046 -0.605 1
1 23 . 18 1 1 A 4 4 CYS HA H 4 4.541 4.404 0.137 1
1 26 . 18 1 1 A 5 5 GLY H H 5 8.861 7.994 0.867 1
1 27 . 18 1 1 A 5 5 GLY HA2 H 5 4.035 3.893 0.142 1
1 28 . 18 1 1 A 5 5 GLY HA3 H 5 3.645 3.917 -0.272 1
1 29 . 18 1 1 A 6 6 GLU H H 6 7.629 7.938 -0.309 1
1 30 . 18 1 1 A 6 6 GLU HA H 6 4.563 4.419 0.144 1
1 35 . 18 1 1 A 7 7 SER H H 7 8.775 8.792 -0.017 1
1 36 . 18 1 1 A 7 7 SER HA H 7 4.689 5.058 -0.369 1
1 39 . 18 1 1 A 8 8 CYS H H 8 8.006 8.644 -0.638 1
1 40 . 18 1 1 A 8 8 CYS HA H 8 5.324 5.065 0.259 1
1 43 . 18 1 1 A 9 9 VAL H H 9 7.917 8.007 -0.090 1
1 44 . 18 1 1 A 9 9 VAL HA H 9 3.376 3.686 -0.310 1
1 52 . 18 1 1 A 10 10 TRP H H 10 8.181 7.875 0.306 1
1 53 . 18 1 1 A 10 10 TRP HA H 10 4.835 4.657 0.178 1
1 60 . 18 1 1 A 11 11 ILE H H 11 7.502 7.783 -0.281 1
1 61 . 18 1 1 A 11 11 ILE HA H 11 4.715 4.655 0.060 1
1 69 . 18 1 1 A 12 12 PRO HA H 12 4.376 4.459 -0.083 1
1 75 . 18 1 1 A 13 13 CYS H H 13 8.302 8.675 -0.373 1
1 76 . 18 1 1 A 13 13 CYS HA H 13 4.230 4.623 -0.393 1
1 79 . 18 1 1 A 14 14 ILE H H 14 9.342 8.876 0.466 1
1 80 . 18 1 1 A 14 14 ILE HA H 14 4.223 3.773 0.450 1
1 81 . 18 1 1 A 15 15 SER H H 15 9.647 8.284 1.363 1
1 82 . 18 1 1 A 15 15 SER HA H 15 4.401 4.334 0.067 1
1 85 . 18 1 1 A 16 16 SER H H 16 7.753 8.218 -0.465 1
1 86 . 18 1 1 A 16 16 SER HA H 16 4.651 4.132 0.519 1
1 89 . 18 1 1 A 17 17 ALA H H 17 8.329 7.650 0.679 1
1 90 . 18 1 1 A 17 17 ALA HA H 17 4.278 4.150 0.128 1
1 94 . 18 1 1 A 18 18 ILE H H 18 7.275 7.399 -0.124 1
1 95 . 18 1 1 A 18 18 ILE HA H 18 4.421 4.161 0.260 1
1 105 . 18 1 1 A 19 19 GLY H H 19 7.870 7.590 0.280 1
1 106 . 18 1 1 A 19 19 GLY HA2 H 19 4.310 3.988 0.322 1
1 107 . 18 1 1 A 19 19 GLY HA3 H 19 3.742 3.988 -0.246 1
1 108 . 18 1 1 A 20 20 CYS H H 20 7.618 7.706 -0.088 1
1 109 . 18 1 1 A 20 20 CYS HA H 20 4.797 5.011 -0.214 1
1 112 . 18 1 1 A 21 21 SER H H 21 9.389 9.096 0.293 1
1 113 . 18 1 1 A 21 21 SER HA H 21 4.710 5.319 -0.609 1
1 116 . 18 1 1 A 22 22 CYS H H 22 8.752 8.838 -0.086 1
1 117 . 18 1 1 A 22 22 CYS HA H 22 4.645 4.666 -0.021 1
1 120 . 18 1 1 A 23 23 LYS H H 23 9.574 9.340 0.234 1
1 121 . 18 1 1 A 23 23 LYS HA H 23 4.604 4.520 0.084 1
1 133 . 18 1 1 A 24 24 SER H H 24 9.233 9.399 -0.166 1
1 134 . 18 1 1 A 24 24 SER HA H 24 4.714 4.186 0.528 1
1 137 . 18 1 1 A 25 25 LYS H H 25 8.111 8.662 -0.551 1
1 138 . 18 1 1 A 25 25 LYS HA H 25 3.501 4.018 -0.517 1
1 150 . 18 1 1 A 26 26 VAL H H 26 7.957 7.690 0.267 1
1 151 . 18 1 1 A 26 26 VAL HA H 26 4.191 4.456 -0.265 1
1 159 . 18 1 1 A 27 27 CYS H H 27 7.700 8.946 -1.246 1
1 160 . 18 1 1 A 27 27 CYS HA H 27 5.068 5.697 -0.629 1
1 163 . 18 1 1 A 28 28 TYR H H 28 9.577 9.773 -0.196 1
1 164 . 18 1 1 A 28 28 TYR HA H 28 5.110 5.256 -0.146 1
1 169 . 18 1 1 A 29 29 ARG H H 29 9.293 9.353 -0.060 1
1 170 . 18 1 1 A 29 29 ARG HA H 29 4.712 4.677 0.035 1
1 4 . 19 1 1 A 2 2 ILE H H 2 8.038 7.855 0.183 1
1 5 . 19 1 1 A 2 2 ILE HA H 2 4.766 4.386 0.380 1
1 15 . 19 1 1 A 3 3 PRO HA H 3 4.128 4.036 0.092 1
1 22 . 19 1 1 A 4 4 CYS H H 4 8.441 8.923 -0.482 1
1 23 . 19 1 1 A 4 4 CYS HA H 4 4.541 4.472 0.069 1
1 26 . 19 1 1 A 5 5 GLY H H 5 8.861 8.154 0.707 1
1 27 . 19 1 1 A 5 5 GLY HA2 H 5 4.035 3.887 0.148 1
1 28 . 19 1 1 A 5 5 GLY HA3 H 5 3.645 3.912 -0.267 1
1 29 . 19 1 1 A 6 6 GLU H H 6 7.629 7.958 -0.329 1
1 30 . 19 1 1 A 6 6 GLU HA H 6 4.563 4.342 0.221 1
1 35 . 19 1 1 A 7 7 SER H H 7 8.775 8.692 0.083 1
1 36 . 19 1 1 A 7 7 SER HA H 7 4.689 5.010 -0.321 1
1 39 . 19 1 1 A 8 8 CYS H H 8 8.006 8.716 -0.710 1
1 40 . 19 1 1 A 8 8 CYS HA H 8 5.324 5.474 -0.150 1
1 43 . 19 1 1 A 9 9 VAL H H 9 7.917 7.952 -0.035 1
1 44 . 19 1 1 A 9 9 VAL HA H 9 3.376 3.553 -0.177 1
1 52 . 19 1 1 A 10 10 TRP H H 10 8.181 7.850 0.331 1
1 53 . 19 1 1 A 10 10 TRP HA H 10 4.835 4.781 0.054 1
1 60 . 19 1 1 A 11 11 ILE H H 11 7.502 7.672 -0.170 1
1 61 . 19 1 1 A 11 11 ILE HA H 11 4.715 4.749 -0.034 1
1 69 . 19 1 1 A 12 12 PRO HA H 12 4.376 4.460 -0.084 1
1 75 . 19 1 1 A 13 13 CYS H H 13 8.302 8.534 -0.232 1
1 76 . 19 1 1 A 13 13 CYS HA H 13 4.230 4.669 -0.439 1
1 79 . 19 1 1 A 14 14 ILE H H 14 9.342 8.668 0.674 1
1 80 . 19 1 1 A 14 14 ILE HA H 14 4.223 4.127 0.096 1
1 81 . 19 1 1 A 15 15 SER H H 15 9.647 8.697 0.950 1
1 82 . 19 1 1 A 15 15 SER HA H 15 4.401 4.843 -0.442 1
1 85 . 19 1 1 A 16 16 SER H H 16 7.753 7.911 -0.158 1
1 86 . 19 1 1 A 16 16 SER HA H 16 4.651 4.115 0.536 1
1 89 . 19 1 1 A 17 17 ALA H H 17 8.329 8.150 0.179 1
1 90 . 19 1 1 A 17 17 ALA HA H 17 4.278 4.187 0.091 1
1 94 . 19 1 1 A 18 18 ILE H H 18 7.275 7.708 -0.433 1
1 95 . 19 1 1 A 18 18 ILE HA H 18 4.421 4.231 0.190 1
1 105 . 19 1 1 A 19 19 GLY H H 19 7.870 7.925 -0.055 1
1 106 . 19 1 1 A 19 19 GLY HA2 H 19 4.310 3.892 0.418 1
1 107 . 19 1 1 A 19 19 GLY HA3 H 19 3.742 3.892 -0.150 1
1 108 . 19 1 1 A 20 20 CYS H H 20 7.618 7.713 -0.095 1
1 109 . 19 1 1 A 20 20 CYS HA H 20 4.797 5.230 -0.433 1
1 112 . 19 1 1 A 21 21 SER H H 21 9.389 8.980 0.409 1
1 113 . 19 1 1 A 21 21 SER HA H 21 4.710 4.889 -0.179 1
1 116 . 19 1 1 A 22 22 CYS H H 22 8.752 8.815 -0.063 1
1 117 . 19 1 1 A 22 22 CYS HA H 22 4.645 4.645 0.000 1
1 120 . 19 1 1 A 23 23 LYS H H 23 9.574 9.338 0.236 1
1 121 . 19 1 1 A 23 23 LYS HA H 23 4.604 4.530 0.074 1
1 133 . 19 1 1 A 24 24 SER H H 24 9.233 9.316 -0.083 1
1 134 . 19 1 1 A 24 24 SER HA H 24 4.714 4.158 0.556 1
1 137 . 19 1 1 A 25 25 LYS H H 25 8.111 8.391 -0.280 1
1 138 . 19 1 1 A 25 25 LYS HA H 25 3.501 3.785 -0.284 1
1 150 . 19 1 1 A 26 26 VAL H H 26 7.957 7.734 0.223 1
1 151 . 19 1 1 A 26 26 VAL HA H 26 4.191 4.469 -0.278 1
1 159 . 19 1 1 A 27 27 CYS H H 27 7.700 9.181 -1.481 1
1 160 . 19 1 1 A 27 27 CYS HA H 27 5.068 5.574 -0.506 1
1 163 . 19 1 1 A 28 28 TYR H H 28 9.577 9.660 -0.083 1
1 164 . 19 1 1 A 28 28 TYR HA H 28 5.110 5.168 -0.058 1
1 169 . 19 1 1 A 29 29 ARG H H 29 9.293 9.293 0.000 1
1 170 . 19 1 1 A 29 29 ARG HA H 29 4.712 4.945 -0.233 1
1 4 . 20 1 1 A 2 2 ILE H H 2 8.038 7.672 0.366 1
1 5 . 20 1 1 A 2 2 ILE HA H 2 4.766 4.436 0.330 1
1 15 . 20 1 1 A 3 3 PRO HA H 3 4.128 3.899 0.229 1
1 22 . 20 1 1 A 4 4 CYS H H 4 8.441 8.928 -0.487 1
1 23 . 20 1 1 A 4 4 CYS HA H 4 4.541 4.416 0.125 1
1 26 . 20 1 1 A 5 5 GLY H H 5 8.861 8.048 0.813 1
1 27 . 20 1 1 A 5 5 GLY HA2 H 5 4.035 3.890 0.145 1
1 28 . 20 1 1 A 5 5 GLY HA3 H 5 3.645 3.916 -0.271 1
1 29 . 20 1 1 A 6 6 GLU H H 6 7.629 7.934 -0.305 1
1 30 . 20 1 1 A 6 6 GLU HA H 6 4.563 4.401 0.162 1
1 35 . 20 1 1 A 7 7 SER H H 7 8.775 8.765 0.010 1
1 36 . 20 1 1 A 7 7 SER HA H 7 4.689 5.093 -0.404 1
1 39 . 20 1 1 A 8 8 CYS H H 8 8.006 8.634 -0.628 1
1 40 . 20 1 1 A 8 8 CYS HA H 8 5.324 5.202 0.122 1
1 43 . 20 1 1 A 9 9 VAL H H 9 7.917 8.053 -0.136 1
1 44 . 20 1 1 A 9 9 VAL HA H 9 3.376 3.542 -0.166 1
1 52 . 20 1 1 A 10 10 TRP H H 10 8.181 7.734 0.447 1
1 53 . 20 1 1 A 10 10 TRP HA H 10 4.835 4.710 0.125 1
1 60 . 20 1 1 A 11 11 ILE H H 11 7.502 7.759 -0.257 1
1 61 . 20 1 1 A 11 11 ILE HA H 11 4.715 4.845 -0.130 1
1 69 . 20 1 1 A 12 12 PRO HA H 12 4.376 4.458 -0.082 1
1 75 . 20 1 1 A 13 13 CYS H H 13 8.302 8.649 -0.347 1
1 76 . 20 1 1 A 13 13 CYS HA H 13 4.230 4.660 -0.430 1
1 79 . 20 1 1 A 14 14 ILE H H 14 9.342 8.947 0.395 1
1 80 . 20 1 1 A 14 14 ILE HA H 14 4.223 3.853 0.370 1
1 81 . 20 1 1 A 15 15 SER H H 15 9.647 8.140 1.507 1
1 82 . 20 1 1 A 15 15 SER HA H 15 4.401 4.609 -0.208 1
1 85 . 20 1 1 A 16 16 SER H H 16 7.753 8.265 -0.512 1
1 86 . 20 1 1 A 16 16 SER HA H 16 4.651 4.598 0.053 1
1 89 . 20 1 1 A 17 17 ALA H H 17 8.329 8.067 0.262 1
1 90 . 20 1 1 A 17 17 ALA HA H 17 4.278 4.205 0.073 1
1 94 . 20 1 1 A 18 18 ILE H H 18 7.275 7.618 -0.343 1
1 95 . 20 1 1 A 18 18 ILE HA H 18 4.421 4.168 0.253 1
1 105 . 20 1 1 A 19 19 GLY H H 19 7.870 7.727 0.143 1
1 106 . 20 1 1 A 19 19 GLY HA2 H 19 4.310 3.985 0.325 1
1 107 . 20 1 1 A 19 19 GLY HA3 H 19 3.742 3.985 -0.243 1
1 108 . 20 1 1 A 20 20 CYS H H 20 7.618 7.736 -0.118 1
1 109 . 20 1 1 A 20 20 CYS HA H 20 4.797 4.892 -0.095 1
1 112 . 20 1 1 A 21 21 SER H H 21 9.389 9.288 0.101 1
1 113 . 20 1 1 A 21 21 SER HA H 21 4.710 5.188 -0.478 1
1 116 . 20 1 1 A 22 22 CYS H H 22 8.752 8.795 -0.043 1
1 117 . 20 1 1 A 22 22 CYS HA H 22 4.645 4.693 -0.048 1
1 120 . 20 1 1 A 23 23 LYS H H 23 9.574 8.911 0.663 1
1 121 . 20 1 1 A 23 23 LYS HA H 23 4.604 4.708 -0.104 1
1 133 . 20 1 1 A 24 24 SER H H 24 9.233 9.351 -0.118 1
1 134 . 20 1 1 A 24 24 SER HA H 24 4.714 4.164 0.550 1
1 137 . 20 1 1 A 25 25 LYS H H 25 8.111 8.457 -0.346 1
1 138 . 20 1 1 A 25 25 LYS HA H 25 3.501 3.836 -0.335 1
1 150 . 20 1 1 A 26 26 VAL H H 26 7.957 7.770 0.187 1
1 151 . 20 1 1 A 26 26 VAL HA H 26 4.191 4.489 -0.298 1
1 159 . 20 1 1 A 27 27 CYS H H 27 7.700 8.890 -1.190 1
1 160 . 20 1 1 A 27 27 CYS HA H 27 5.068 5.664 -0.596 1
1 163 . 20 1 1 A 28 28 TYR H H 28 9.577 9.578 -0.001 1
1 164 . 20 1 1 A 28 28 TYR HA H 28 5.110 5.267 -0.157 1
1 169 . 20 1 1 A 29 29 ARG H H 29 9.293 9.338 -0.045 1
1 170 . 20 1 1 A 29 29 ARG HA H 29 4.712 4.696 0.016 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 26 0.519 1
5 1 1 1 "RMS(OBS, PRED)" HA 30 0.290 1
6 1 1 1 "RMS(OBS, PRED)" N 0 0.000 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 0 0.000 1
9 1 2 1 "RMS(OBS, PRED)" CB 0 0.000 1
10 1 2 1 "RMS(OBS, PRED)" H 26 0.551 1
11 1 2 1 "RMS(OBS, PRED)" HA 30 0.266 1
12 1 2 1 "RMS(OBS, PRED)" N 0 0.000 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 0 0.000 1
15 1 3 1 "RMS(OBS, PRED)" CB 0 0.000 1
16 1 3 1 "RMS(OBS, PRED)" H 26 0.505 1
17 1 3 1 "RMS(OBS, PRED)" HA 30 0.292 1
18 1 3 1 "RMS(OBS, PRED)" N 0 0.000 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 0 0.000 1
21 1 4 1 "RMS(OBS, PRED)" CB 0 0.000 1
22 1 4 1 "RMS(OBS, PRED)" H 26 0.586 1
23 1 4 1 "RMS(OBS, PRED)" HA 30 0.285 1
24 1 4 1 "RMS(OBS, PRED)" N 0 0.000 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 0 0.000 1
27 1 5 1 "RMS(OBS, PRED)" CB 0 0.000 1
28 1 5 1 "RMS(OBS, PRED)" H 26 0.477 1
29 1 5 1 "RMS(OBS, PRED)" HA 30 0.303 1
30 1 5 1 "RMS(OBS, PRED)" N 0 0.000 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 0 0.000 1
33 1 6 1 "RMS(OBS, PRED)" CB 0 0.000 1
34 1 6 1 "RMS(OBS, PRED)" H 26 0.592 1
35 1 6 1 "RMS(OBS, PRED)" HA 30 0.271 1
36 1 6 1 "RMS(OBS, PRED)" N 0 0.000 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 0 0.000 1
39 1 7 1 "RMS(OBS, PRED)" CB 0 0.000 1
40 1 7 1 "RMS(OBS, PRED)" H 26 0.477 1
41 1 7 1 "RMS(OBS, PRED)" HA 30 0.307 1
42 1 7 1 "RMS(OBS, PRED)" N 0 0.000 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 0 0.000 1
45 1 8 1 "RMS(OBS, PRED)" CB 0 0.000 1
46 1 8 1 "RMS(OBS, PRED)" H 26 0.511 1
47 1 8 1 "RMS(OBS, PRED)" HA 30 0.275 1
48 1 8 1 "RMS(OBS, PRED)" N 0 0.000 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 0 0.000 1
51 1 9 1 "RMS(OBS, PRED)" CB 0 0.000 1
52 1 9 1 "RMS(OBS, PRED)" H 26 0.484 1
53 1 9 1 "RMS(OBS, PRED)" HA 30 0.266 1
54 1 9 1 "RMS(OBS, PRED)" N 0 0.000 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 0 0.000 1
57 1 10 1 "RMS(OBS, PRED)" CB 0 0.000 1
58 1 10 1 "RMS(OBS, PRED)" H 26 0.522 1
59 1 10 1 "RMS(OBS, PRED)" HA 30 0.281 1
60 1 10 1 "RMS(OBS, PRED)" N 0 0.000 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 0 0.000 1
63 1 11 1 "RMS(OBS, PRED)" CB 0 0.000 1
64 1 11 1 "RMS(OBS, PRED)" H 26 0.494 1
65 1 11 1 "RMS(OBS, PRED)" HA 30 0.296 1
66 1 11 1 "RMS(OBS, PRED)" N 0 0.000 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 0 0.000 1
69 1 12 1 "RMS(OBS, PRED)" CB 0 0.000 1
70 1 12 1 "RMS(OBS, PRED)" H 26 0.572 1
71 1 12 1 "RMS(OBS, PRED)" HA 30 0.264 1
72 1 12 1 "RMS(OBS, PRED)" N 0 0.000 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 0 0.000 1
75 1 13 1 "RMS(OBS, PRED)" CB 0 0.000 1
76 1 13 1 "RMS(OBS, PRED)" H 26 0.512 1
77 1 13 1 "RMS(OBS, PRED)" HA 30 0.294 1
78 1 13 1 "RMS(OBS, PRED)" N 0 0.000 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 0 0.000 1
81 1 14 1 "RMS(OBS, PRED)" CB 0 0.000 1
82 1 14 1 "RMS(OBS, PRED)" H 26 0.521 1
83 1 14 1 "RMS(OBS, PRED)" HA 30 0.302 1
84 1 14 1 "RMS(OBS, PRED)" N 0 0.000 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 0 0.000 1
87 1 15 1 "RMS(OBS, PRED)" CB 0 0.000 1
88 1 15 1 "RMS(OBS, PRED)" H 26 0.493 1
89 1 15 1 "RMS(OBS, PRED)" HA 30 0.288 1
90 1 15 1 "RMS(OBS, PRED)" N 0 0.000 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 0 0.000 1
93 1 16 1 "RMS(OBS, PRED)" CB 0 0.000 1
94 1 16 1 "RMS(OBS, PRED)" H 26 0.485 1
95 1 16 1 "RMS(OBS, PRED)" HA 30 0.270 1
96 1 16 1 "RMS(OBS, PRED)" N 0 0.000 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 0 0.000 1
99 1 17 1 "RMS(OBS, PRED)" CB 0 0.000 1
100 1 17 1 "RMS(OBS, PRED)" H 26 0.500 1
101 1 17 1 "RMS(OBS, PRED)" HA 30 0.281 1
102 1 17 1 "RMS(OBS, PRED)" N 0 0.000 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 0 0.000 1
105 1 18 1 "RMS(OBS, PRED)" CB 0 0.000 1
106 1 18 1 "RMS(OBS, PRED)" H 26 0.540 1
107 1 18 1 "RMS(OBS, PRED)" HA 30 0.319 1
108 1 18 1 "RMS(OBS, PRED)" N 0 0.000 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 0 0.000 1
111 1 19 1 "RMS(OBS, PRED)" CB 0 0.000 1
112 1 19 1 "RMS(OBS, PRED)" H 26 0.480 1
113 1 19 1 "RMS(OBS, PRED)" HA 30 0.287 1
114 1 19 1 "RMS(OBS, PRED)" N 0 0.000 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 0 0.000 1
117 1 20 1 "RMS(OBS, PRED)" CB 0 0.000 1
118 1 20 1 "RMS(OBS, PRED)" H 26 0.524 1
119 1 20 1 "RMS(OBS, PRED)" HA 30 0.279 1
120 1 20 1 "RMS(OBS, PRED)" N 0 0.000 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 4 . 1 1 A 2 2 ILE H H 2 8.038 7.603 0.435 2
1 5 . 1 1 A 2 2 ILE HA H 2 4.766 4.430 0.336 2
1 15 . 1 1 A 3 3 PRO HA H 3 4.128 4.033 0.095 2
1 22 . 1 1 A 4 4 CYS H H 4 8.441 8.971 -0.530 2
1 23 . 1 1 A 4 4 CYS HA H 4 4.541 4.424 0.117 2
1 26 . 1 1 A 5 5 GLY H H 5 8.861 8.053 0.808 2
1 27 . 1 1 A 5 5 GLY HA2 H 5 4.035 3.890 0.145 2
1 28 . 1 1 A 5 5 GLY HA3 H 5 3.645 3.916 -0.271 2
1 29 . 1 1 A 6 6 GLU H H 6 7.629 7.936 -0.307 2
1 30 . 1 1 A 6 6 GLU HA H 6 4.563 4.396 0.167 2
1 35 . 1 1 A 7 7 SER H H 7 8.775 8.786 -0.011 2
1 36 . 1 1 A 7 7 SER HA H 7 4.689 5.093 -0.404 2
1 39 . 1 1 A 8 8 CYS H H 8 8.006 8.640 -0.634 2
1 40 . 1 1 A 8 8 CYS HA H 8 5.324 5.202 0.122 2
1 43 . 1 1 A 9 9 VAL H H 9 7.917 7.966 -0.049 2
1 44 . 1 1 A 9 9 VAL HA H 9 3.376 3.528 -0.152 2
1 52 . 1 1 A 10 10 TRP H H 10 8.181 7.820 0.361 2
1 53 . 1 1 A 10 10 TRP HA H 10 4.835 4.745 0.090 2
1 60 . 1 1 A 11 11 ILE H H 11 7.502 7.805 -0.303 2
1 61 . 1 1 A 11 11 ILE HA H 11 4.715 4.808 -0.093 2
1 69 . 1 1 A 12 12 PRO HA H 12 4.376 4.437 -0.061 2
1 75 . 1 1 A 13 13 CYS H H 13 8.302 8.649 -0.347 2
1 76 . 1 1 A 13 13 CYS HA H 13 4.230 4.649 -0.419 2
1 79 . 1 1 A 14 14 ILE H H 14 9.342 8.738 0.605 2
1 80 . 1 1 A 14 14 ILE HA H 14 4.223 3.844 0.379 2
1 81 . 1 1 A 15 15 SER H H 15 9.647 8.338 1.309 2
1 82 . 1 1 A 15 15 SER HA H 15 4.401 4.488 -0.087 2
1 85 . 1 1 A 16 16 SER H H 16 7.753 8.153 -0.400 2
1 86 . 1 1 A 16 16 SER HA H 16 4.651 4.409 0.242 2
1 89 . 1 1 A 17 17 ALA H H 17 8.329 7.840 0.489 2
1 90 . 1 1 A 17 17 ALA HA H 17 4.278 4.179 0.099 2
1 94 . 1 1 A 18 18 ILE H H 18 7.275 7.502 -0.227 2
1 95 . 1 1 A 18 18 ILE HA H 18 4.421 4.092 0.329 2
1 105 . 1 1 A 19 19 GLY H H 19 7.870 7.583 0.287 2
1 106 . 1 1 A 19 19 GLY HA2 H 19 4.310 3.979 0.331 2
1 107 . 1 1 A 19 19 GLY HA3 H 19 3.742 3.980 -0.238 2
1 108 . 1 1 A 20 20 CYS H H 20 7.618 7.714 -0.096 2
1 109 . 1 1 A 20 20 CYS HA H 20 4.797 5.036 -0.239 2
1 112 . 1 1 A 21 21 SER H H 21 9.389 9.301 0.088 2
1 113 . 1 1 A 21 21 SER HA H 21 4.710 5.062 -0.352 2
1 116 . 1 1 A 22 22 CYS H H 22 8.752 8.811 -0.059 2
1 117 . 1 1 A 22 22 CYS HA H 22 4.645 4.680 -0.035 2
1 120 . 1 1 A 23 23 LYS H H 23 9.574 9.266 0.308 2
1 121 . 1 1 A 23 23 LYS HA H 23 4.604 4.599 0.005 2
1 133 . 1 1 A 24 24 SER H H 24 9.233 9.333 -0.100 2
1 134 . 1 1 A 24 24 SER HA H 24 4.714 4.158 0.556 2
1 137 . 1 1 A 25 25 LYS H H 25 8.111 8.475 -0.363 2
1 138 . 1 1 A 25 25 LYS HA H 25 3.501 3.876 -0.375 2
1 150 . 1 1 A 26 26 VAL H H 26 7.957 7.748 0.209 2
1 151 . 1 1 A 26 26 VAL HA H 26 4.191 4.455 -0.264 2
1 159 . 1 1 A 27 27 CYS H H 27 7.700 8.894 -1.194 2
1 160 . 1 1 A 27 27 CYS HA H 27 5.068 5.620 -0.552 2
1 163 . 1 1 A 28 28 TYR H H 28 9.577 9.566 0.011 2
1 164 . 1 1 A 28 28 TYR HA H 28 5.110 5.245 -0.135 2
1 169 . 1 1 A 29 29 ARG H H 29 9.293 9.359 -0.066 2
1 170 . 1 1 A 29 29 ARG HA H 29 4.712 4.716 -0.004 2
stop_
save_