data_16438_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16438
_Entry.PDB_ID 2KMP
_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 2 . 1 1 1 A 2 2 LYS H H 2 8.640 7.989 0.651 1
1 3 . 1 1 1 A 2 2 LYS HA H 2 4.327 4.859 -0.532 1
1 10 . 1 1 1 A 3 3 VAL H H 3 8.362 8.543 -0.181 1
1 11 . 1 1 1 A 3 3 VAL HA H 3 4.034 3.977 0.057 1
1 19 . 1 1 1 A 4 4 CYS H H 4 8.592 7.654 0.938 1
1 20 . 1 1 1 A 4 4 CYS HA H 4 4.612 4.603 0.009 1
1 23 . 1 1 1 A 5 5 ALA H H 5 8.651 8.677 -0.026 1
1 24 . 1 1 1 A 5 5 ALA HA H 5 4.498 4.883 -0.385 1
1 28 . 1 1 1 A 6 6 CYS H H 6 7.904 8.510 -0.606 1
1 29 . 1 1 1 A 6 6 CYS HA H 6 5.269 4.637 0.632 1
1 32 . 1 1 1 A 7 7 PRO HA H 7 4.461 4.677 -0.216 1
1 39 . 1 1 1 A 8 8 LYS H H 8 8.610 8.066 0.544 1
1 40 . 1 1 1 A 8 8 LYS HA H 8 4.204 4.445 -0.241 1
1 45 . 1 1 1 A 9 9 ILE H H 9 7.006 7.239 -0.233 1
1 46 . 1 1 1 A 9 9 ILE HA H 9 4.065 4.037 0.028 1
1 53 . 1 1 1 A 10 10 LEU H H 10 8.588 8.420 0.168 1
1 54 . 1 1 1 A 10 10 LEU HA H 10 4.585 4.372 0.213 1
1 64 . 1 1 1 A 11 11 LYS H H 11 8.678 7.867 0.811 1
1 65 . 1 1 1 A 11 11 LYS HA H 11 4.520 4.889 -0.369 1
1 70 . 1 1 1 A 12 12 PRO HA H 12 4.542 4.715 -0.173 1
1 77 . 1 1 1 A 13 13 VAL H H 13 8.317 8.059 0.258 1
1 78 . 1 1 1 A 13 13 VAL HA H 13 4.562 4.803 -0.241 1
1 86 . 1 1 1 A 14 14 CYS H H 14 8.676 8.759 -0.083 1
1 87 . 1 1 1 A 14 14 CYS HA H 14 4.875 5.150 -0.275 1
1 90 . 1 1 1 A 15 15 GLY H H 15 9.310 9.085 0.225 1
1 91 . 1 1 1 A 15 15 GLY HA2 H 15 4.631 4.192 0.439 1
1 92 . 1 1 1 A 15 15 GLY HA3 H 15 3.937 4.316 -0.379 1
1 93 . 1 1 1 A 16 16 SER H H 16 8.791 8.935 -0.144 1
1 94 . 1 1 1 A 16 16 SER HA H 16 4.116 4.260 -0.144 1
1 97 . 1 1 1 A 17 17 ASP H H 17 8.216 7.983 0.233 1
1 98 . 1 1 1 A 17 17 ASP HA H 17 4.526 4.661 -0.135 1
1 101 . 1 1 1 A 18 18 GLY H H 18 8.209 8.304 -0.095 1
1 102 . 1 1 1 A 18 18 GLY HA2 H 18 3.608 3.895 -0.287 1
1 103 . 1 1 1 A 18 18 GLY HA3 H 18 4.089 3.900 0.189 1
1 104 . 1 1 1 A 19 19 ARG H H 19 7.569 7.707 -0.138 1
1 105 . 1 1 1 A 19 19 ARG HA H 19 4.293 4.166 0.127 1
1 110 . 1 1 1 A 20 20 THR H H 20 8.200 8.220 -0.020 1
1 111 . 1 1 1 A 20 20 THR HA H 20 4.731 5.198 -0.467 1
1 116 . 1 1 1 A 21 21 TYR H H 21 8.819 8.498 0.321 1
1 117 . 1 1 1 A 21 21 TYR HA H 21 4.529 4.902 -0.373 1
1 124 . 1 1 1 A 22 22 ALA H H 22 8.780 8.861 -0.081 1
1 125 . 1 1 1 A 22 22 ALA HA H 22 3.901 4.238 -0.337 1
1 129 . 1 1 1 A 23 23 ASN H H 23 7.241 7.768 -0.527 1
1 130 . 1 1 1 A 23 23 ASN HA H 23 4.828 5.236 -0.408 1
1 135 . 1 1 1 A 24 24 SER H H 24 9.195 8.886 0.309 1
1 136 . 1 1 1 A 24 24 SER HA H 24 3.949 4.044 -0.095 1
1 139 . 1 1 1 A 25 25 CYS H H 25 8.059 7.947 0.112 1
1 140 . 1 1 1 A 25 25 CYS HA H 25 4.206 4.190 0.016 1
1 143 . 1 1 1 A 26 26 ILE H H 26 8.204 8.138 0.066 1
1 144 . 1 1 1 A 26 26 ILE HA H 26 3.619 3.825 -0.206 1
1 151 . 1 1 1 A 27 27 ALA H H 27 7.502 8.056 -0.554 1
1 152 . 1 1 1 A 27 27 ALA HA H 27 2.983 3.043 -0.060 1
1 156 . 1 1 1 A 28 28 ARG H H 28 7.845 8.081 -0.236 1
1 157 . 1 1 1 A 28 28 ARG HA H 28 4.004 4.201 -0.197 1
1 161 . 1 1 1 A 29 29 CYS H H 29 8.403 8.090 0.313 1
1 162 . 1 1 1 A 29 29 CYS HA H 29 4.193 4.196 -0.003 1
1 165 . 1 1 1 A 30 30 ASN H H 30 7.523 7.653 -0.130 1
1 166 . 1 1 1 A 30 30 ASN HA H 30 4.576 4.732 -0.156 1
1 169 . 1 1 1 A 31 31 GLY H H 31 7.905 8.946 -1.041 1
1 170 . 1 1 1 A 31 31 GLY HA2 H 31 3.774 3.869 -0.095 1
1 171 . 1 1 1 A 31 31 GLY HA3 H 31 3.938 3.877 0.061 1
1 172 . 1 1 1 A 32 32 VAL H H 32 7.497 7.647 -0.150 1
1 173 . 1 1 1 A 32 32 VAL HA H 32 4.149 4.645 -0.496 1
1 181 . 1 1 1 A 33 33 SER H H 33 8.127 8.774 -0.647 1
1 182 . 1 1 1 A 33 33 SER HA H 33 4.407 4.776 -0.369 1
1 184 . 1 1 1 A 34 34 ILE H H 34 8.281 8.468 -0.187 1
1 185 . 1 1 1 A 34 34 ILE HA H 34 4.180 4.311 -0.131 1
1 195 . 1 1 1 A 35 35 LYS H H 35 8.557 9.242 -0.685 1
1 196 . 1 1 1 A 35 35 LYS HA H 35 4.236 4.220 0.016 1
1 202 . 1 1 1 A 36 36 SER H H 36 8.279 7.613 0.666 1
1 203 . 1 1 1 A 36 36 SER HA H 36 4.388 4.769 -0.381 1
1 206 . 1 1 1 A 37 37 GLU H H 37 8.398 8.642 -0.244 1
1 207 . 1 1 1 A 37 37 GLU HA H 37 4.387 4.344 0.043 1
1 211 . 1 1 1 A 38 38 GLY H H 38 8.348 8.440 -0.092 1
1 212 . 1 1 1 A 38 38 GLY HA3 H 38 3.915 4.077 -0.162 1
1 213 . 1 1 1 A 39 39 SER H H 39 8.158 8.283 -0.125 1
1 214 . 1 1 1 A 39 39 SER HA H 39 4.398 4.444 -0.046 1
1 217 . 1 1 1 A 40 40 CYS H H 40 8.338 8.221 0.117 1
1 218 . 1 1 1 A 40 40 CYS HA H 40 4.743 5.134 -0.391 1
1 221 . 1 1 1 A 41 41 PRO HA H 41 4.431 4.699 -0.268 1
1 228 . 1 1 1 A 42 42 THR H H 42 8.103 8.436 -0.333 1
1 229 . 1 1 1 A 42 42 THR HA H 42 4.268 4.040 0.228 1
1 234 . 1 1 1 A 43 43 GLY H H 43 8.225 8.243 -0.018 1
1 235 . 1 1 1 A 43 43 GLY HA3 H 43 3.924 3.958 -0.034 1
1 2 . 2 1 1 A 2 2 LYS H H 2 8.640 7.998 0.642 1
1 3 . 2 1 1 A 2 2 LYS HA H 2 4.327 4.656 -0.329 1
1 10 . 2 1 1 A 3 3 VAL H H 3 8.362 7.140 1.222 1
1 11 . 2 1 1 A 3 3 VAL HA H 3 4.034 3.957 0.077 1
1 19 . 2 1 1 A 4 4 CYS H H 4 8.592 8.628 -0.036 1
1 20 . 2 1 1 A 4 4 CYS HA H 4 4.612 4.481 0.131 1
1 23 . 2 1 1 A 5 5 ALA H H 5 8.651 7.787 0.864 1
1 24 . 2 1 1 A 5 5 ALA HA H 5 4.498 4.462 0.036 1
1 28 . 2 1 1 A 6 6 CYS H H 6 7.904 8.598 -0.694 1
1 29 . 2 1 1 A 6 6 CYS HA H 6 5.269 4.645 0.624 1
1 32 . 2 1 1 A 7 7 PRO HA H 7 4.461 4.739 -0.278 1
1 39 . 2 1 1 A 8 8 LYS H H 8 8.610 8.468 0.142 1
1 40 . 2 1 1 A 8 8 LYS HA H 8 4.204 4.455 -0.251 1
1 45 . 2 1 1 A 9 9 ILE H H 9 7.006 7.200 -0.194 1
1 46 . 2 1 1 A 9 9 ILE HA H 9 4.065 4.029 0.036 1
1 53 . 2 1 1 A 10 10 LEU H H 10 8.588 8.453 0.135 1
1 54 . 2 1 1 A 10 10 LEU HA H 10 4.585 4.460 0.125 1
1 64 . 2 1 1 A 11 11 LYS H H 11 8.678 7.863 0.815 1
1 65 . 2 1 1 A 11 11 LYS HA H 11 4.520 4.881 -0.361 1
1 70 . 2 1 1 A 12 12 PRO HA H 12 4.542 4.740 -0.198 1
1 77 . 2 1 1 A 13 13 VAL H H 13 8.317 8.062 0.255 1
1 78 . 2 1 1 A 13 13 VAL HA H 13 4.562 4.806 -0.244 1
1 86 . 2 1 1 A 14 14 CYS H H 14 8.676 9.041 -0.365 1
1 87 . 2 1 1 A 14 14 CYS HA H 14 4.875 5.228 -0.353 1
1 90 . 2 1 1 A 15 15 GLY H H 15 9.310 8.984 0.326 1
1 91 . 2 1 1 A 15 15 GLY HA2 H 15 4.631 4.167 0.464 1
1 92 . 2 1 1 A 15 15 GLY HA3 H 15 3.937 4.233 -0.296 1
1 93 . 2 1 1 A 16 16 SER H H 16 8.791 9.152 -0.361 1
1 94 . 2 1 1 A 16 16 SER HA H 16 4.116 4.133 -0.017 1
1 97 . 2 1 1 A 17 17 ASP H H 17 8.216 7.891 0.325 1
1 98 . 2 1 1 A 17 17 ASP HA H 17 4.526 4.693 -0.167 1
1 101 . 2 1 1 A 18 18 GLY H H 18 8.209 8.279 -0.070 1
1 102 . 2 1 1 A 18 18 GLY HA2 H 18 3.608 3.930 -0.322 1
1 103 . 2 1 1 A 18 18 GLY HA3 H 18 4.089 3.938 0.151 1
1 104 . 2 1 1 A 19 19 ARG H H 19 7.569 8.006 -0.437 1
1 105 . 2 1 1 A 19 19 ARG HA H 19 4.293 4.332 -0.039 1
1 110 . 2 1 1 A 20 20 THR H H 20 8.200 8.256 -0.056 1
1 111 . 2 1 1 A 20 20 THR HA H 20 4.731 5.315 -0.584 1
1 116 . 2 1 1 A 21 21 TYR H H 21 8.819 8.529 0.290 1
1 117 . 2 1 1 A 21 21 TYR HA H 21 4.529 4.893 -0.364 1
1 124 . 2 1 1 A 22 22 ALA H H 22 8.780 8.613 0.167 1
1 125 . 2 1 1 A 22 22 ALA HA H 22 3.901 4.164 -0.263 1
1 129 . 2 1 1 A 23 23 ASN H H 23 7.241 7.766 -0.525 1
1 130 . 2 1 1 A 23 23 ASN HA H 23 4.828 5.222 -0.394 1
1 135 . 2 1 1 A 24 24 SER H H 24 9.195 8.736 0.459 1
1 136 . 2 1 1 A 24 24 SER HA H 24 3.949 4.106 -0.157 1
1 139 . 2 1 1 A 25 25 CYS H H 25 8.059 8.077 -0.018 1
1 140 . 2 1 1 A 25 25 CYS HA H 25 4.206 4.026 0.180 1
1 143 . 2 1 1 A 26 26 ILE H H 26 8.204 8.225 -0.021 1
1 144 . 2 1 1 A 26 26 ILE HA H 26 3.619 3.568 0.051 1
1 151 . 2 1 1 A 27 27 ALA H H 27 7.502 8.169 -0.667 1
1 152 . 2 1 1 A 27 27 ALA HA H 27 2.983 2.890 0.093 1
1 156 . 2 1 1 A 28 28 ARG H H 28 7.845 8.143 -0.298 1
1 157 . 2 1 1 A 28 28 ARG HA H 28 4.004 4.199 -0.195 1
1 161 . 2 1 1 A 29 29 CYS H H 29 8.403 7.558 0.845 1
1 162 . 2 1 1 A 29 29 CYS HA H 29 4.193 4.088 0.105 1
1 165 . 2 1 1 A 30 30 ASN H H 30 7.523 7.461 0.062 1
1 166 . 2 1 1 A 30 30 ASN HA H 30 4.576 4.675 -0.099 1
1 169 . 2 1 1 A 31 31 GLY H H 31 7.905 8.153 -0.248 1
1 170 . 2 1 1 A 31 31 GLY HA2 H 31 3.774 3.962 -0.188 1
1 171 . 2 1 1 A 31 31 GLY HA3 H 31 3.938 3.971 -0.033 1
1 172 . 2 1 1 A 32 32 VAL H H 32 7.497 7.710 -0.213 1
1 173 . 2 1 1 A 32 32 VAL HA H 32 4.149 4.172 -0.023 1
1 181 . 2 1 1 A 33 33 SER H H 33 8.127 8.629 -0.502 1
1 182 . 2 1 1 A 33 33 SER HA H 33 4.407 4.594 -0.187 1
1 184 . 2 1 1 A 34 34 ILE H H 34 8.281 8.771 -0.490 1
1 185 . 2 1 1 A 34 34 ILE HA H 34 4.180 4.289 -0.109 1
1 195 . 2 1 1 A 35 35 LYS H H 35 8.557 8.700 -0.143 1
1 196 . 2 1 1 A 35 35 LYS HA H 35 4.236 4.104 0.132 1
1 202 . 2 1 1 A 36 36 SER H H 36 8.279 7.517 0.762 1
1 203 . 2 1 1 A 36 36 SER HA H 36 4.388 4.600 -0.212 1
1 206 . 2 1 1 A 37 37 GLU H H 37 8.398 8.590 -0.192 1
1 207 . 2 1 1 A 37 37 GLU HA H 37 4.387 4.471 -0.084 1
1 211 . 2 1 1 A 38 38 GLY H H 38 8.348 8.254 0.094 1
1 212 . 2 1 1 A 38 38 GLY HA3 H 38 3.915 4.097 -0.182 1
1 213 . 2 1 1 A 39 39 SER H H 39 8.158 8.545 -0.387 1
1 214 . 2 1 1 A 39 39 SER HA H 39 4.398 4.349 0.049 1
1 217 . 2 1 1 A 40 40 CYS H H 40 8.338 7.892 0.446 1
1 218 . 2 1 1 A 40 40 CYS HA H 40 4.743 4.807 -0.064 1
1 221 . 2 1 1 A 41 41 PRO HA H 41 4.431 4.642 -0.211 1
1 228 . 2 1 1 A 42 42 THR H H 42 8.103 8.505 -0.402 1
1 229 . 2 1 1 A 42 42 THR HA H 42 4.268 4.737 -0.469 1
1 234 . 2 1 1 A 43 43 GLY H H 43 8.225 8.409 -0.184 1
1 235 . 2 1 1 A 43 43 GLY HA3 H 43 3.924 4.010 -0.086 1
1 2 . 3 1 1 A 2 2 LYS H H 2 8.640 8.527 0.113 1
1 3 . 3 1 1 A 2 2 LYS HA H 2 4.327 4.632 -0.305 1
1 10 . 3 1 1 A 3 3 VAL H H 3 8.362 8.234 0.128 1
1 11 . 3 1 1 A 3 3 VAL HA H 3 4.034 3.982 0.052 1
1 19 . 3 1 1 A 4 4 CYS H H 4 8.592 7.835 0.757 1
1 20 . 3 1 1 A 4 4 CYS HA H 4 4.612 4.667 -0.055 1
1 23 . 3 1 1 A 5 5 ALA H H 5 8.651 7.689 0.962 1
1 24 . 3 1 1 A 5 5 ALA HA H 5 4.498 4.266 0.232 1
1 28 . 3 1 1 A 6 6 CYS H H 6 7.904 7.877 0.027 1
1 29 . 3 1 1 A 6 6 CYS HA H 6 5.269 4.634 0.635 1
1 32 . 3 1 1 A 7 7 PRO HA H 7 4.461 4.680 -0.219 1
1 39 . 3 1 1 A 8 8 LYS H H 8 8.610 8.046 0.564 1
1 40 . 3 1 1 A 8 8 LYS HA H 8 4.204 4.397 -0.193 1
1 45 . 3 1 1 A 9 9 ILE H H 9 7.006 7.279 -0.273 1
1 46 . 3 1 1 A 9 9 ILE HA H 9 4.065 4.032 0.033 1
1 53 . 3 1 1 A 10 10 LEU H H 10 8.588 8.626 -0.038 1
1 54 . 3 1 1 A 10 10 LEU HA H 10 4.585 4.595 -0.010 1
1 64 . 3 1 1 A 11 11 LYS H H 11 8.678 7.928 0.750 1
1 65 . 3 1 1 A 11 11 LYS HA H 11 4.520 4.751 -0.231 1
1 70 . 3 1 1 A 12 12 PRO HA H 12 4.542 4.694 -0.152 1
1 77 . 3 1 1 A 13 13 VAL H H 13 8.317 8.023 0.294 1
1 78 . 3 1 1 A 13 13 VAL HA H 13 4.562 4.798 -0.236 1
1 86 . 3 1 1 A 14 14 CYS H H 14 8.676 8.698 -0.022 1
1 87 . 3 1 1 A 14 14 CYS HA H 14 4.875 4.947 -0.072 1
1 90 . 3 1 1 A 15 15 GLY H H 15 9.310 8.973 0.337 1
1 91 . 3 1 1 A 15 15 GLY HA2 H 15 4.631 4.194 0.437 1
1 92 . 3 1 1 A 15 15 GLY HA3 H 15 3.937 4.314 -0.377 1
1 93 . 3 1 1 A 16 16 SER H H 16 8.791 9.069 -0.278 1
1 94 . 3 1 1 A 16 16 SER HA H 16 4.116 4.225 -0.109 1
1 97 . 3 1 1 A 17 17 ASP H H 17 8.216 7.873 0.343 1
1 98 . 3 1 1 A 17 17 ASP HA H 17 4.526 4.714 -0.188 1
1 101 . 3 1 1 A 18 18 GLY H H 18 8.209 8.272 -0.063 1
1 102 . 3 1 1 A 18 18 GLY HA2 H 18 3.608 3.917 -0.309 1
1 103 . 3 1 1 A 18 18 GLY HA3 H 18 4.089 3.918 0.171 1
1 104 . 3 1 1 A 19 19 ARG H H 19 7.569 7.671 -0.102 1
1 105 . 3 1 1 A 19 19 ARG HA H 19 4.293 4.188 0.105 1
1 110 . 3 1 1 A 20 20 THR H H 20 8.200 8.158 0.042 1
1 111 . 3 1 1 A 20 20 THR HA H 20 4.731 5.085 -0.354 1
1 116 . 3 1 1 A 21 21 TYR H H 21 8.819 8.349 0.470 1
1 117 . 3 1 1 A 21 21 TYR HA H 21 4.529 4.883 -0.354 1
1 124 . 3 1 1 A 22 22 ALA H H 22 8.780 8.850 -0.070 1
1 125 . 3 1 1 A 22 22 ALA HA H 22 3.901 4.227 -0.326 1
1 129 . 3 1 1 A 23 23 ASN H H 23 7.241 7.794 -0.553 1
1 130 . 3 1 1 A 23 23 ASN HA H 23 4.828 5.218 -0.390 1
1 135 . 3 1 1 A 24 24 SER H H 24 9.195 8.814 0.381 1
1 136 . 3 1 1 A 24 24 SER HA H 24 3.949 4.070 -0.121 1
1 139 . 3 1 1 A 25 25 CYS H H 25 8.059 8.015 0.044 1
1 140 . 3 1 1 A 25 25 CYS HA H 25 4.206 4.256 -0.050 1
1 143 . 3 1 1 A 26 26 ILE H H 26 8.204 8.039 0.165 1
1 144 . 3 1 1 A 26 26 ILE HA H 26 3.619 3.862 -0.243 1
1 151 . 3 1 1 A 27 27 ALA H H 27 7.502 8.088 -0.586 1
1 152 . 3 1 1 A 27 27 ALA HA H 27 2.983 3.385 -0.402 1
1 156 . 3 1 1 A 28 28 ARG H H 28 7.845 8.231 -0.386 1
1 157 . 3 1 1 A 28 28 ARG HA H 28 4.004 4.124 -0.120 1
1 161 . 3 1 1 A 29 29 CYS H H 29 8.403 7.858 0.545 1
1 162 . 3 1 1 A 29 29 CYS HA H 29 4.193 4.155 0.038 1
1 165 . 3 1 1 A 30 30 ASN H H 30 7.523 7.541 -0.018 1
1 166 . 3 1 1 A 30 30 ASN HA H 30 4.576 4.600 -0.024 1
1 169 . 3 1 1 A 31 31 GLY H H 31 7.905 8.671 -0.766 1
1 170 . 3 1 1 A 31 31 GLY HA2 H 31 3.774 3.894 -0.120 1
1 171 . 3 1 1 A 31 31 GLY HA3 H 31 3.938 3.899 0.039 1
1 172 . 3 1 1 A 32 32 VAL H H 32 7.497 7.657 -0.160 1
1 173 . 3 1 1 A 32 32 VAL HA H 32 4.149 4.673 -0.524 1
1 181 . 3 1 1 A 33 33 SER H H 33 8.127 8.814 -0.687 1
1 182 . 3 1 1 A 33 33 SER HA H 33 4.407 4.704 -0.297 1
1 184 . 3 1 1 A 34 34 ILE H H 34 8.281 8.466 -0.185 1
1 185 . 3 1 1 A 34 34 ILE HA H 34 4.180 4.275 -0.095 1
1 195 . 3 1 1 A 35 35 LYS H H 35 8.557 9.257 -0.700 1
1 196 . 3 1 1 A 35 35 LYS HA H 35 4.236 4.240 -0.004 1
1 202 . 3 1 1 A 36 36 SER H H 36 8.279 7.605 0.674 1
1 203 . 3 1 1 A 36 36 SER HA H 36 4.388 4.785 -0.397 1
1 206 . 3 1 1 A 37 37 GLU H H 37 8.398 8.610 -0.212 1
1 207 . 3 1 1 A 37 37 GLU HA H 37 4.387 4.336 0.051 1
1 211 . 3 1 1 A 38 38 GLY H H 38 8.348 8.422 -0.074 1
1 212 . 3 1 1 A 38 38 GLY HA3 H 38 3.915 4.067 -0.152 1
1 213 . 3 1 1 A 39 39 SER H H 39 8.158 8.233 -0.075 1
1 214 . 3 1 1 A 39 39 SER HA H 39 4.398 4.416 -0.018 1
1 217 . 3 1 1 A 40 40 CYS H H 40 8.338 8.253 0.085 1
1 218 . 3 1 1 A 40 40 CYS HA H 40 4.743 5.130 -0.387 1
1 221 . 3 1 1 A 41 41 PRO HA H 41 4.431 4.736 -0.305 1
1 228 . 3 1 1 A 42 42 THR H H 42 8.103 8.468 -0.365 1
1 229 . 3 1 1 A 42 42 THR HA H 42 4.268 4.179 0.089 1
1 234 . 3 1 1 A 43 43 GLY H H 43 8.225 8.459 -0.234 1
1 235 . 3 1 1 A 43 43 GLY HA3 H 43 3.924 3.933 -0.009 1
1 2 . 4 1 1 A 2 2 LYS H H 2 8.640 8.764 -0.124 1
1 3 . 4 1 1 A 2 2 LYS HA H 2 4.327 4.812 -0.485 1
1 10 . 4 1 1 A 3 3 VAL H H 3 8.362 8.675 -0.313 1
1 11 . 4 1 1 A 3 3 VAL HA H 3 4.034 4.081 -0.047 1
1 19 . 4 1 1 A 4 4 CYS H H 4 8.592 8.964 -0.372 1
1 20 . 4 1 1 A 4 4 CYS HA H 4 4.612 4.357 0.255 1
1 23 . 4 1 1 A 5 5 ALA H H 5 8.651 7.611 1.040 1
1 24 . 4 1 1 A 5 5 ALA HA H 5 4.498 4.524 -0.026 1
1 28 . 4 1 1 A 6 6 CYS H H 6 7.904 8.356 -0.452 1
1 29 . 4 1 1 A 6 6 CYS HA H 6 5.269 4.609 0.660 1
1 32 . 4 1 1 A 7 7 PRO HA H 7 4.461 4.670 -0.209 1
1 39 . 4 1 1 A 8 8 LYS H H 8 8.610 8.218 0.392 1
1 40 . 4 1 1 A 8 8 LYS HA H 8 4.204 4.200 0.004 1
1 45 . 4 1 1 A 9 9 ILE H H 9 7.006 7.337 -0.331 1
1 46 . 4 1 1 A 9 9 ILE HA H 9 4.065 3.971 0.094 1
1 53 . 4 1 1 A 10 10 LEU H H 10 8.588 8.624 -0.036 1
1 54 . 4 1 1 A 10 10 LEU HA H 10 4.585 4.512 0.073 1
1 64 . 4 1 1 A 11 11 LYS H H 11 8.678 8.031 0.647 1
1 65 . 4 1 1 A 11 11 LYS HA H 11 4.520 4.887 -0.367 1
1 70 . 4 1 1 A 12 12 PRO HA H 12 4.542 4.716 -0.174 1
1 77 . 4 1 1 A 13 13 VAL H H 13 8.317 8.066 0.251 1
1 78 . 4 1 1 A 13 13 VAL HA H 13 4.562 4.801 -0.239 1
1 86 . 4 1 1 A 14 14 CYS H H 14 8.676 8.627 0.049 1
1 87 . 4 1 1 A 14 14 CYS HA H 14 4.875 5.136 -0.261 1
1 90 . 4 1 1 A 15 15 GLY H H 15 9.310 9.187 0.123 1
1 91 . 4 1 1 A 15 15 GLY HA2 H 15 4.631 4.188 0.443 1
1 92 . 4 1 1 A 15 15 GLY HA3 H 15 3.937 4.311 -0.374 1
1 93 . 4 1 1 A 16 16 SER H H 16 8.791 9.043 -0.252 1
1 94 . 4 1 1 A 16 16 SER HA H 16 4.116 4.214 -0.098 1
1 97 . 4 1 1 A 17 17 ASP H H 17 8.216 8.068 0.148 1
1 98 . 4 1 1 A 17 17 ASP HA H 17 4.526 4.636 -0.110 1
1 101 . 4 1 1 A 18 18 GLY H H 18 8.209 8.672 -0.463 1
1 102 . 4 1 1 A 18 18 GLY HA2 H 18 3.608 3.814 -0.206 1
1 103 . 4 1 1 A 18 18 GLY HA3 H 18 4.089 3.818 0.271 1
1 104 . 4 1 1 A 19 19 ARG H H 19 7.569 7.660 -0.091 1
1 105 . 4 1 1 A 19 19 ARG HA H 19 4.293 4.647 -0.354 1
1 110 . 4 1 1 A 20 20 THR H H 20 8.200 8.298 -0.098 1
1 111 . 4 1 1 A 20 20 THR HA H 20 4.731 5.198 -0.467 1
1 116 . 4 1 1 A 21 21 TYR H H 21 8.819 8.533 0.286 1
1 117 . 4 1 1 A 21 21 TYR HA H 21 4.529 4.896 -0.367 1
1 124 . 4 1 1 A 22 22 ALA H H 22 8.780 8.823 -0.043 1
1 125 . 4 1 1 A 22 22 ALA HA H 22 3.901 4.238 -0.337 1
1 129 . 4 1 1 A 23 23 ASN H H 23 7.241 7.778 -0.537 1
1 130 . 4 1 1 A 23 23 ASN HA H 23 4.828 5.216 -0.388 1
1 135 . 4 1 1 A 24 24 SER H H 24 9.195 8.820 0.375 1
1 136 . 4 1 1 A 24 24 SER HA H 24 3.949 4.054 -0.105 1
1 139 . 4 1 1 A 25 25 CYS H H 25 8.059 8.123 -0.064 1
1 140 . 4 1 1 A 25 25 CYS HA H 25 4.206 4.036 0.170 1
1 143 . 4 1 1 A 26 26 ILE H H 26 8.204 8.251 -0.047 1
1 144 . 4 1 1 A 26 26 ILE HA H 26 3.619 3.688 -0.069 1
1 151 . 4 1 1 A 27 27 ALA H H 27 7.502 8.226 -0.724 1
1 152 . 4 1 1 A 27 27 ALA HA H 27 2.983 3.156 -0.173 1
1 156 . 4 1 1 A 28 28 ARG H H 28 7.845 8.226 -0.381 1
1 157 . 4 1 1 A 28 28 ARG HA H 28 4.004 4.193 -0.189 1
1 161 . 4 1 1 A 29 29 CYS H H 29 8.403 7.481 0.922 1
1 162 . 4 1 1 A 29 29 CYS HA H 29 4.193 4.087 0.106 1
1 165 . 4 1 1 A 30 30 ASN H H 30 7.523 7.662 -0.139 1
1 166 . 4 1 1 A 30 30 ASN HA H 30 4.576 4.703 -0.127 1
1 169 . 4 1 1 A 31 31 GLY H H 31 7.905 8.943 -1.038 1
1 170 . 4 1 1 A 31 31 GLY HA2 H 31 3.774 3.891 -0.117 1
1 171 . 4 1 1 A 31 31 GLY HA3 H 31 3.938 3.898 0.040 1
1 172 . 4 1 1 A 32 32 VAL H H 32 7.497 7.670 -0.173 1
1 173 . 4 1 1 A 32 32 VAL HA H 32 4.149 4.636 -0.487 1
1 181 . 4 1 1 A 33 33 SER H H 33 8.127 8.886 -0.759 1
1 182 . 4 1 1 A 33 33 SER HA H 33 4.407 4.716 -0.309 1
1 184 . 4 1 1 A 34 34 ILE H H 34 8.281 8.445 -0.164 1
1 185 . 4 1 1 A 34 34 ILE HA H 34 4.180 4.265 -0.085 1
1 195 . 4 1 1 A 35 35 LYS H H 35 8.557 9.169 -0.612 1
1 196 . 4 1 1 A 35 35 LYS HA H 35 4.236 4.146 0.090 1
1 202 . 4 1 1 A 36 36 SER H H 36 8.279 7.597 0.682 1
1 203 . 4 1 1 A 36 36 SER HA H 36 4.388 4.794 -0.406 1
1 206 . 4 1 1 A 37 37 GLU H H 37 8.398 8.642 -0.244 1
1 207 . 4 1 1 A 37 37 GLU HA H 37 4.387 4.315 0.072 1
1 211 . 4 1 1 A 38 38 GLY H H 38 8.348 8.302 0.046 1
1 212 . 4 1 1 A 38 38 GLY HA3 H 38 3.915 4.079 -0.164 1
1 213 . 4 1 1 A 39 39 SER H H 39 8.158 8.302 -0.144 1
1 214 . 4 1 1 A 39 39 SER HA H 39 4.398 4.384 0.014 1
1 217 . 4 1 1 A 40 40 CYS H H 40 8.338 8.463 -0.125 1
1 218 . 4 1 1 A 40 40 CYS HA H 40 4.743 4.958 -0.215 1
1 221 . 4 1 1 A 41 41 PRO HA H 41 4.431 4.651 -0.220 1
1 228 . 4 1 1 A 42 42 THR H H 42 8.103 8.553 -0.450 1
1 229 . 4 1 1 A 42 42 THR HA H 42 4.268 4.290 -0.022 1
1 234 . 4 1 1 A 43 43 GLY H H 43 8.225 8.000 0.225 1
1 235 . 4 1 1 A 43 43 GLY HA3 H 43 3.924 3.952 -0.028 1
1 2 . 5 1 1 A 2 2 LYS H H 2 8.640 8.871 -0.231 1
1 3 . 5 1 1 A 2 2 LYS HA H 2 4.327 4.941 -0.614 1
1 10 . 5 1 1 A 3 3 VAL H H 3 8.362 8.931 -0.569 1
1 11 . 5 1 1 A 3 3 VAL HA H 3 4.034 4.075 -0.041 1
1 19 . 5 1 1 A 4 4 CYS H H 4 8.592 8.671 -0.079 1
1 20 . 5 1 1 A 4 4 CYS HA H 4 4.612 4.345 0.267 1
1 23 . 5 1 1 A 5 5 ALA H H 5 8.651 7.685 0.966 1
1 24 . 5 1 1 A 5 5 ALA HA H 5 4.498 4.488 0.010 1
1 28 . 5 1 1 A 6 6 CYS H H 6 7.904 8.421 -0.517 1
1 29 . 5 1 1 A 6 6 CYS HA H 6 5.269 4.635 0.634 1
1 32 . 5 1 1 A 7 7 PRO HA H 7 4.461 4.764 -0.303 1
1 39 . 5 1 1 A 8 8 LYS H H 8 8.610 8.472 0.138 1
1 40 . 5 1 1 A 8 8 LYS HA H 8 4.204 4.466 -0.262 1
1 45 . 5 1 1 A 9 9 ILE H H 9 7.006 7.210 -0.204 1
1 46 . 5 1 1 A 9 9 ILE HA H 9 4.065 4.004 0.061 1
1 53 . 5 1 1 A 10 10 LEU H H 10 8.588 8.594 -0.006 1
1 54 . 5 1 1 A 10 10 LEU HA H 10 4.585 4.513 0.072 1
1 64 . 5 1 1 A 11 11 LYS H H 11 8.678 8.196 0.482 1
1 65 . 5 1 1 A 11 11 LYS HA H 11 4.520 4.914 -0.394 1
1 70 . 5 1 1 A 12 12 PRO HA H 12 4.542 4.799 -0.257 1
1 77 . 5 1 1 A 13 13 VAL H H 13 8.317 8.017 0.300 1
1 78 . 5 1 1 A 13 13 VAL HA H 13 4.562 4.786 -0.224 1
1 86 . 5 1 1 A 14 14 CYS H H 14 8.676 8.753 -0.077 1
1 87 . 5 1 1 A 14 14 CYS HA H 14 4.875 4.799 0.076 1
1 90 . 5 1 1 A 15 15 GLY H H 15 9.310 8.955 0.355 1
1 91 . 5 1 1 A 15 15 GLY HA2 H 15 4.631 4.229 0.402 1
1 92 . 5 1 1 A 15 15 GLY HA3 H 15 3.937 4.368 -0.431 1
1 93 . 5 1 1 A 16 16 SER H H 16 8.791 8.946 -0.155 1
1 94 . 5 1 1 A 16 16 SER HA H 16 4.116 4.198 -0.082 1
1 97 . 5 1 1 A 17 17 ASP H H 17 8.216 7.881 0.335 1
1 98 . 5 1 1 A 17 17 ASP HA H 17 4.526 4.745 -0.219 1
1 101 . 5 1 1 A 18 18 GLY H H 18 8.209 8.745 -0.536 1
1 102 . 5 1 1 A 18 18 GLY HA2 H 18 3.608 3.901 -0.293 1
1 103 . 5 1 1 A 18 18 GLY HA3 H 18 4.089 3.903 0.186 1
1 104 . 5 1 1 A 19 19 ARG H H 19 7.569 7.534 0.035 1
1 105 . 5 1 1 A 19 19 ARG HA H 19 4.293 4.859 -0.566 1
1 110 . 5 1 1 A 20 20 THR H H 20 8.200 8.585 -0.385 1
1 111 . 5 1 1 A 20 20 THR HA H 20 4.731 5.125 -0.394 1
1 116 . 5 1 1 A 21 21 TYR H H 21 8.819 8.328 0.491 1
1 117 . 5 1 1 A 21 21 TYR HA H 21 4.529 4.930 -0.401 1
1 124 . 5 1 1 A 22 22 ALA H H 22 8.780 8.861 -0.081 1
1 125 . 5 1 1 A 22 22 ALA HA H 22 3.901 4.240 -0.339 1
1 129 . 5 1 1 A 23 23 ASN H H 23 7.241 7.782 -0.541 1
1 130 . 5 1 1 A 23 23 ASN HA H 23 4.828 5.216 -0.388 1
1 135 . 5 1 1 A 24 24 SER H H 24 9.195 8.868 0.327 1
1 136 . 5 1 1 A 24 24 SER HA H 24 3.949 4.062 -0.113 1
1 139 . 5 1 1 A 25 25 CYS H H 25 8.059 7.938 0.121 1
1 140 . 5 1 1 A 25 25 CYS HA H 25 4.206 4.187 0.019 1
1 143 . 5 1 1 A 26 26 ILE H H 26 8.204 7.770 0.434 1
1 144 . 5 1 1 A 26 26 ILE HA H 26 3.619 3.779 -0.160 1
1 151 . 5 1 1 A 27 27 ALA H H 27 7.502 8.100 -0.598 1
1 152 . 5 1 1 A 27 27 ALA HA H 27 2.983 3.061 -0.078 1
1 156 . 5 1 1 A 28 28 ARG H H 28 7.845 7.707 0.138 1
1 157 . 5 1 1 A 28 28 ARG HA H 28 4.004 4.252 -0.248 1
1 161 . 5 1 1 A 29 29 CYS H H 29 8.403 7.761 0.642 1
1 162 . 5 1 1 A 29 29 CYS HA H 29 4.193 3.966 0.227 1
1 165 . 5 1 1 A 30 30 ASN H H 30 7.523 7.761 -0.238 1
1 166 . 5 1 1 A 30 30 ASN HA H 30 4.576 4.581 -0.005 1
1 169 . 5 1 1 A 31 31 GLY H H 31 7.905 8.073 -0.168 1
1 170 . 5 1 1 A 31 31 GLY HA2 H 31 3.774 3.925 -0.151 1
1 171 . 5 1 1 A 31 31 GLY HA3 H 31 3.938 3.933 0.005 1
1 172 . 5 1 1 A 32 32 VAL H H 32 7.497 7.611 -0.114 1
1 173 . 5 1 1 A 32 32 VAL HA H 32 4.149 4.454 -0.305 1
1 181 . 5 1 1 A 33 33 SER H H 33 8.127 8.731 -0.604 1
1 182 . 5 1 1 A 33 33 SER HA H 33 4.407 5.238 -0.831 1
1 184 . 5 1 1 A 34 34 ILE H H 34 8.281 8.312 -0.031 1
1 185 . 5 1 1 A 34 34 ILE HA H 34 4.180 4.235 -0.055 1
1 195 . 5 1 1 A 35 35 LYS H H 35 8.557 9.167 -0.610 1
1 196 . 5 1 1 A 35 35 LYS HA H 35 4.236 4.222 0.014 1
1 202 . 5 1 1 A 36 36 SER H H 36 8.279 7.709 0.570 1
1 203 . 5 1 1 A 36 36 SER HA H 36 4.388 4.905 -0.517 1
1 206 . 5 1 1 A 37 37 GLU H H 37 8.398 8.642 -0.244 1
1 207 . 5 1 1 A 37 37 GLU HA H 37 4.387 4.441 -0.054 1
1 211 . 5 1 1 A 38 38 GLY H H 38 8.348 8.264 0.084 1
1 212 . 5 1 1 A 38 38 GLY HA3 H 38 3.915 4.071 -0.156 1
1 213 . 5 1 1 A 39 39 SER H H 39 8.158 8.270 -0.112 1
1 214 . 5 1 1 A 39 39 SER HA H 39 4.398 4.499 -0.101 1
1 217 . 5 1 1 A 40 40 CYS H H 40 8.338 8.511 -0.173 1
1 218 . 5 1 1 A 40 40 CYS HA H 40 4.743 5.073 -0.330 1
1 221 . 5 1 1 A 41 41 PRO HA H 41 4.431 4.665 -0.234 1
1 228 . 5 1 1 A 42 42 THR H H 42 8.103 8.310 -0.207 1
1 229 . 5 1 1 A 42 42 THR HA H 42 4.268 4.945 -0.677 1
1 234 . 5 1 1 A 43 43 GLY H H 43 8.225 8.759 -0.534 1
1 235 . 5 1 1 A 43 43 GLY HA3 H 43 3.924 4.003 -0.079 1
1 2 . 6 1 1 A 2 2 LYS H H 2 8.640 8.355 0.285 1
1 3 . 6 1 1 A 2 2 LYS HA H 2 4.327 4.518 -0.191 1
1 10 . 6 1 1 A 3 3 VAL H H 3 8.362 7.876 0.486 1
1 11 . 6 1 1 A 3 3 VAL HA H 3 4.034 4.104 -0.070 1
1 19 . 6 1 1 A 4 4 CYS H H 4 8.592 7.535 1.057 1
1 20 . 6 1 1 A 4 4 CYS HA H 4 4.612 4.388 0.224 1
1 23 . 6 1 1 A 5 5 ALA H H 5 8.651 8.702 -0.051 1
1 24 . 6 1 1 A 5 5 ALA HA H 5 4.498 4.784 -0.286 1
1 28 . 6 1 1 A 6 6 CYS H H 6 7.904 8.233 -0.329 1
1 29 . 6 1 1 A 6 6 CYS HA H 6 5.269 4.639 0.630 1
1 32 . 6 1 1 A 7 7 PRO HA H 7 4.461 4.713 -0.252 1
1 39 . 6 1 1 A 8 8 LYS H H 8 8.610 8.071 0.539 1
1 40 . 6 1 1 A 8 8 LYS HA H 8 4.204 4.356 -0.152 1
1 45 . 6 1 1 A 9 9 ILE H H 9 7.006 7.285 -0.279 1
1 46 . 6 1 1 A 9 9 ILE HA H 9 4.065 4.009 0.056 1
1 53 . 6 1 1 A 10 10 LEU H H 10 8.588 8.463 0.125 1
1 54 . 6 1 1 A 10 10 LEU HA H 10 4.585 4.352 0.233 1
1 64 . 6 1 1 A 11 11 LYS H H 11 8.678 8.272 0.406 1
1 65 . 6 1 1 A 11 11 LYS HA H 11 4.520 4.940 -0.420 1
1 70 . 6 1 1 A 12 12 PRO HA H 12 4.542 4.673 -0.131 1
1 77 . 6 1 1 A 13 13 VAL H H 13 8.317 8.107 0.210 1
1 78 . 6 1 1 A 13 13 VAL HA H 13 4.562 4.786 -0.224 1
1 86 . 6 1 1 A 14 14 CYS H H 14 8.676 8.876 -0.200 1
1 87 . 6 1 1 A 14 14 CYS HA H 14 4.875 5.211 -0.336 1
1 90 . 6 1 1 A 15 15 GLY H H 15 9.310 9.072 0.238 1
1 91 . 6 1 1 A 15 15 GLY HA2 H 15 4.631 4.182 0.449 1
1 92 . 6 1 1 A 15 15 GLY HA3 H 15 3.937 4.300 -0.363 1
1 93 . 6 1 1 A 16 16 SER H H 16 8.791 9.012 -0.221 1
1 94 . 6 1 1 A 16 16 SER HA H 16 4.116 4.127 -0.011 1
1 97 . 6 1 1 A 17 17 ASP H H 17 8.216 7.915 0.301 1
1 98 . 6 1 1 A 17 17 ASP HA H 17 4.526 4.687 -0.161 1
1 101 . 6 1 1 A 18 18 GLY H H 18 8.209 8.311 -0.102 1
1 102 . 6 1 1 A 18 18 GLY HA2 H 18 3.608 3.913 -0.305 1
1 103 . 6 1 1 A 18 18 GLY HA3 H 18 4.089 3.918 0.171 1
1 104 . 6 1 1 A 19 19 ARG H H 19 7.569 7.934 -0.365 1
1 105 . 6 1 1 A 19 19 ARG HA H 19 4.293 4.348 -0.055 1
1 110 . 6 1 1 A 20 20 THR H H 20 8.200 8.202 -0.002 1
1 111 . 6 1 1 A 20 20 THR HA H 20 4.731 5.177 -0.446 1
1 116 . 6 1 1 A 21 21 TYR H H 21 8.819 8.517 0.302 1
1 117 . 6 1 1 A 21 21 TYR HA H 21 4.529 4.891 -0.362 1
1 124 . 6 1 1 A 22 22 ALA H H 22 8.780 8.895 -0.115 1
1 125 . 6 1 1 A 22 22 ALA HA H 22 3.901 4.230 -0.329 1
1 129 . 6 1 1 A 23 23 ASN H H 23 7.241 7.796 -0.555 1
1 130 . 6 1 1 A 23 23 ASN HA H 23 4.828 5.253 -0.425 1
1 135 . 6 1 1 A 24 24 SER H H 24 9.195 8.726 0.469 1
1 136 . 6 1 1 A 24 24 SER HA H 24 3.949 4.072 -0.123 1
1 139 . 6 1 1 A 25 25 CYS H H 25 8.059 8.122 -0.063 1
1 140 . 6 1 1 A 25 25 CYS HA H 25 4.206 4.073 0.133 1
1 143 . 6 1 1 A 26 26 ILE H H 26 8.204 8.102 0.102 1
1 144 . 6 1 1 A 26 26 ILE HA H 26 3.619 3.848 -0.229 1
1 151 . 6 1 1 A 27 27 ALA H H 27 7.502 7.968 -0.466 1
1 152 . 6 1 1 A 27 27 ALA HA H 27 2.983 2.924 0.059 1
1 156 . 6 1 1 A 28 28 ARG H H 28 7.845 8.100 -0.255 1
1 157 . 6 1 1 A 28 28 ARG HA H 28 4.004 4.150 -0.146 1
1 161 . 6 1 1 A 29 29 CYS H H 29 8.403 7.357 1.046 1
1 162 . 6 1 1 A 29 29 CYS HA H 29 4.193 4.145 0.048 1
1 165 . 6 1 1 A 30 30 ASN H H 30 7.523 7.570 -0.047 1
1 166 . 6 1 1 A 30 30 ASN HA H 30 4.576 4.719 -0.143 1
1 169 . 6 1 1 A 31 31 GLY H H 31 7.905 8.214 -0.309 1
1 170 . 6 1 1 A 31 31 GLY HA2 H 31 3.774 3.957 -0.183 1
1 171 . 6 1 1 A 31 31 GLY HA3 H 31 3.938 3.966 -0.028 1
1 172 . 6 1 1 A 32 32 VAL H H 32 7.497 7.683 -0.186 1
1 173 . 6 1 1 A 32 32 VAL HA H 32 4.149 4.276 -0.127 1
1 181 . 6 1 1 A 33 33 SER H H 33 8.127 8.761 -0.634 1
1 182 . 6 1 1 A 33 33 SER HA H 33 4.407 4.726 -0.319 1
1 184 . 6 1 1 A 34 34 ILE H H 34 8.281 8.395 -0.114 1
1 185 . 6 1 1 A 34 34 ILE HA H 34 4.180 4.277 -0.097 1
1 195 . 6 1 1 A 35 35 LYS H H 35 8.557 9.391 -0.834 1
1 196 . 6 1 1 A 35 35 LYS HA H 35 4.236 4.283 -0.047 1
1 202 . 6 1 1 A 36 36 SER H H 36 8.279 7.483 0.796 1
1 203 . 6 1 1 A 36 36 SER HA H 36 4.388 4.662 -0.274 1
1 206 . 6 1 1 A 37 37 GLU H H 37 8.398 8.631 -0.233 1
1 207 . 6 1 1 A 37 37 GLU HA H 37 4.387 4.417 -0.030 1
1 211 . 6 1 1 A 38 38 GLY H H 38 8.348 8.431 -0.083 1
1 212 . 6 1 1 A 38 38 GLY HA3 H 38 3.915 4.076 -0.161 1
1 213 . 6 1 1 A 39 39 SER H H 39 8.158 8.527 -0.369 1
1 214 . 6 1 1 A 39 39 SER HA H 39 4.398 4.338 0.060 1
1 217 . 6 1 1 A 40 40 CYS H H 40 8.338 8.030 0.308 1
1 218 . 6 1 1 A 40 40 CYS HA H 40 4.743 4.817 -0.074 1
1 221 . 6 1 1 A 41 41 PRO HA H 41 4.431 4.337 0.094 1
1 228 . 6 1 1 A 42 42 THR H H 42 8.103 8.533 -0.430 1
1 229 . 6 1 1 A 42 42 THR HA H 42 4.268 3.903 0.365 1
1 234 . 6 1 1 A 43 43 GLY H H 43 8.225 7.936 0.289 1
1 235 . 6 1 1 A 43 43 GLY HA3 H 43 3.924 3.859 0.065 1
1 2 . 7 1 1 A 2 2 LYS H H 2 8.640 8.504 0.136 1
1 3 . 7 1 1 A 2 2 LYS HA H 2 4.327 4.587 -0.260 1
1 10 . 7 1 1 A 3 3 VAL H H 3 8.362 7.510 0.852 1
1 11 . 7 1 1 A 3 3 VAL HA H 3 4.034 3.979 0.055 1
1 19 . 7 1 1 A 4 4 CYS H H 4 8.592 8.636 -0.044 1
1 20 . 7 1 1 A 4 4 CYS HA H 4 4.612 4.634 -0.022 1
1 23 . 7 1 1 A 5 5 ALA H H 5 8.651 7.624 1.027 1
1 24 . 7 1 1 A 5 5 ALA HA H 5 4.498 4.206 0.292 1
1 28 . 7 1 1 A 6 6 CYS H H 6 7.904 8.595 -0.691 1
1 29 . 7 1 1 A 6 6 CYS HA H 6 5.269 4.578 0.691 1
1 32 . 7 1 1 A 7 7 PRO HA H 7 4.461 4.799 -0.338 1
1 39 . 7 1 1 A 8 8 LYS H H 8 8.610 8.034 0.576 1
1 40 . 7 1 1 A 8 8 LYS HA H 8 4.204 4.523 -0.319 1
1 45 . 7 1 1 A 9 9 ILE H H 9 7.006 7.227 -0.221 1
1 46 . 7 1 1 A 9 9 ILE HA H 9 4.065 4.010 0.055 1
1 53 . 7 1 1 A 10 10 LEU H H 10 8.588 8.455 0.133 1
1 54 . 7 1 1 A 10 10 LEU HA H 10 4.585 4.351 0.234 1
1 64 . 7 1 1 A 11 11 LYS H H 11 8.678 7.769 0.909 1
1 65 . 7 1 1 A 11 11 LYS HA H 11 4.520 4.886 -0.366 1
1 70 . 7 1 1 A 12 12 PRO HA H 12 4.542 4.741 -0.199 1
1 77 . 7 1 1 A 13 13 VAL H H 13 8.317 7.926 0.391 1
1 78 . 7 1 1 A 13 13 VAL HA H 13 4.562 4.804 -0.242 1
1 86 . 7 1 1 A 14 14 CYS H H 14 8.676 8.718 -0.042 1
1 87 . 7 1 1 A 14 14 CYS HA H 14 4.875 5.161 -0.286 1
1 90 . 7 1 1 A 15 15 GLY H H 15 9.310 9.124 0.186 1
1 91 . 7 1 1 A 15 15 GLY HA2 H 15 4.631 4.199 0.432 1
1 92 . 7 1 1 A 15 15 GLY HA3 H 15 3.937 4.301 -0.364 1
1 93 . 7 1 1 A 16 16 SER H H 16 8.791 9.207 -0.416 1
1 94 . 7 1 1 A 16 16 SER HA H 16 4.116 4.134 -0.018 1
1 97 . 7 1 1 A 17 17 ASP H H 17 8.216 7.935 0.281 1
1 98 . 7 1 1 A 17 17 ASP HA H 17 4.526 4.589 -0.063 1
1 101 . 7 1 1 A 18 18 GLY H H 18 8.209 8.209 0.000 1
1 102 . 7 1 1 A 18 18 GLY HA2 H 18 3.608 3.917 -0.309 1
1 103 . 7 1 1 A 18 18 GLY HA3 H 18 4.089 3.924 0.165 1
1 104 . 7 1 1 A 19 19 ARG H H 19 7.569 7.532 0.037 1
1 105 . 7 1 1 A 19 19 ARG HA H 19 4.293 4.200 0.093 1
1 110 . 7 1 1 A 20 20 THR H H 20 8.200 8.289 -0.089 1
1 111 . 7 1 1 A 20 20 THR HA H 20 4.731 5.270 -0.539 1
1 116 . 7 1 1 A 21 21 TYR H H 21 8.819 8.534 0.285 1
1 117 . 7 1 1 A 21 21 TYR HA H 21 4.529 4.921 -0.392 1
1 124 . 7 1 1 A 22 22 ALA H H 22 8.780 8.789 -0.009 1
1 125 . 7 1 1 A 22 22 ALA HA H 22 3.901 4.233 -0.332 1
1 129 . 7 1 1 A 23 23 ASN H H 23 7.241 7.768 -0.527 1
1 130 . 7 1 1 A 23 23 ASN HA H 23 4.828 5.211 -0.383 1
1 135 . 7 1 1 A 24 24 SER H H 24 9.195 8.837 0.358 1
1 136 . 7 1 1 A 24 24 SER HA H 24 3.949 4.056 -0.107 1
1 139 . 7 1 1 A 25 25 CYS H H 25 8.059 8.093 -0.034 1
1 140 . 7 1 1 A 25 25 CYS HA H 25 4.206 4.040 0.166 1
1 143 . 7 1 1 A 26 26 ILE H H 26 8.204 8.041 0.163 1
1 144 . 7 1 1 A 26 26 ILE HA H 26 3.619 3.764 -0.145 1
1 151 . 7 1 1 A 27 27 ALA H H 27 7.502 8.077 -0.575 1
1 152 . 7 1 1 A 27 27 ALA HA H 27 2.983 2.969 0.014 1
1 156 . 7 1 1 A 28 28 ARG H H 28 7.845 7.993 -0.148 1
1 157 . 7 1 1 A 28 28 ARG HA H 28 4.004 4.251 -0.247 1
1 161 . 7 1 1 A 29 29 CYS H H 29 8.403 7.813 0.590 1
1 162 . 7 1 1 A 29 29 CYS HA H 29 4.193 4.052 0.141 1
1 165 . 7 1 1 A 30 30 ASN H H 30 7.523 7.590 -0.067 1
1 166 . 7 1 1 A 30 30 ASN HA H 30 4.576 4.721 -0.145 1
1 169 . 7 1 1 A 31 31 GLY H H 31 7.905 8.245 -0.340 1
1 170 . 7 1 1 A 31 31 GLY HA2 H 31 3.774 3.947 -0.173 1
1 171 . 7 1 1 A 31 31 GLY HA3 H 31 3.938 3.955 -0.017 1
1 172 . 7 1 1 A 32 32 VAL H H 32 7.497 7.685 -0.188 1
1 173 . 7 1 1 A 32 32 VAL HA H 32 4.149 4.213 -0.064 1
1 181 . 7 1 1 A 33 33 SER H H 33 8.127 8.616 -0.489 1
1 182 . 7 1 1 A 33 33 SER HA H 33 4.407 4.445 -0.038 1
1 184 . 7 1 1 A 34 34 ILE H H 34 8.281 8.505 -0.224 1
1 185 . 7 1 1 A 34 34 ILE HA H 34 4.180 4.730 -0.550 1
1 195 . 7 1 1 A 35 35 LYS H H 35 8.557 8.959 -0.402 1
1 196 . 7 1 1 A 35 35 LYS HA H 35 4.236 4.093 0.143 1
1 202 . 7 1 1 A 36 36 SER H H 36 8.279 7.331 0.948 1
1 203 . 7 1 1 A 36 36 SER HA H 36 4.388 4.567 -0.179 1
1 206 . 7 1 1 A 37 37 GLU H H 37 8.398 8.646 -0.248 1
1 207 . 7 1 1 A 37 37 GLU HA H 37 4.387 4.311 0.076 1
1 211 . 7 1 1 A 38 38 GLY H H 38 8.348 8.069 0.279 1
1 212 . 7 1 1 A 38 38 GLY HA3 H 38 3.915 4.099 -0.184 1
1 213 . 7 1 1 A 39 39 SER H H 39 8.158 8.366 -0.208 1
1 214 . 7 1 1 A 39 39 SER HA H 39 4.398 4.344 0.054 1
1 217 . 7 1 1 A 40 40 CYS H H 40 8.338 8.060 0.278 1
1 218 . 7 1 1 A 40 40 CYS HA H 40 4.743 4.873 -0.130 1
1 221 . 7 1 1 A 41 41 PRO HA H 41 4.431 4.328 0.103 1
1 228 . 7 1 1 A 42 42 THR H H 42 8.103 8.413 -0.310 1
1 229 . 7 1 1 A 42 42 THR HA H 42 4.268 3.963 0.305 1
1 234 . 7 1 1 A 43 43 GLY H H 43 8.225 8.132 0.093 1
1 235 . 7 1 1 A 43 43 GLY HA3 H 43 3.924 3.939 -0.015 1
1 2 . 8 1 1 A 2 2 LYS H H 2 8.640 8.347 0.293 1
1 3 . 8 1 1 A 2 2 LYS HA H 2 4.327 4.877 -0.550 1
1 10 . 8 1 1 A 3 3 VAL H H 3 8.362 8.639 -0.277 1
1 11 . 8 1 1 A 3 3 VAL HA H 3 4.034 4.128 -0.094 1
1 19 . 8 1 1 A 4 4 CYS H H 4 8.592 7.719 0.873 1
1 20 . 8 1 1 A 4 4 CYS HA H 4 4.612 4.787 -0.175 1
1 23 . 8 1 1 A 5 5 ALA H H 5 8.651 8.566 0.085 1
1 24 . 8 1 1 A 5 5 ALA HA H 5 4.498 4.101 0.397 1
1 28 . 8 1 1 A 6 6 CYS H H 6 7.904 7.889 0.015 1
1 29 . 8 1 1 A 6 6 CYS HA H 6 5.269 4.673 0.596 1
1 32 . 8 1 1 A 7 7 PRO HA H 7 4.461 4.690 -0.229 1
1 39 . 8 1 1 A 8 8 LYS H H 8 8.610 8.273 0.337 1
1 40 . 8 1 1 A 8 8 LYS HA H 8 4.204 4.066 0.138 1
1 45 . 8 1 1 A 9 9 ILE H H 9 7.006 7.350 -0.344 1
1 46 . 8 1 1 A 9 9 ILE HA H 9 4.065 4.004 0.061 1
1 53 . 8 1 1 A 10 10 LEU H H 10 8.588 8.681 -0.093 1
1 54 . 8 1 1 A 10 10 LEU HA H 10 4.585 4.636 -0.051 1
1 64 . 8 1 1 A 11 11 LYS H H 11 8.678 7.895 0.783 1
1 65 . 8 1 1 A 11 11 LYS HA H 11 4.520 4.944 -0.424 1
1 70 . 8 1 1 A 12 12 PRO HA H 12 4.542 4.709 -0.167 1
1 77 . 8 1 1 A 13 13 VAL H H 13 8.317 8.061 0.256 1
1 78 . 8 1 1 A 13 13 VAL HA H 13 4.562 4.799 -0.237 1
1 86 . 8 1 1 A 14 14 CYS H H 14 8.676 8.878 -0.202 1
1 87 . 8 1 1 A 14 14 CYS HA H 14 4.875 5.298 -0.423 1
1 90 . 8 1 1 A 15 15 GLY H H 15 9.310 9.064 0.246 1
1 91 . 8 1 1 A 15 15 GLY HA2 H 15 4.631 4.174 0.457 1
1 92 . 8 1 1 A 15 15 GLY HA3 H 15 3.937 4.263 -0.326 1
1 93 . 8 1 1 A 16 16 SER H H 16 8.791 8.909 -0.118 1
1 94 . 8 1 1 A 16 16 SER HA H 16 4.116 4.316 -0.200 1
1 97 . 8 1 1 A 17 17 ASP H H 17 8.216 7.865 0.351 1
1 98 . 8 1 1 A 17 17 ASP HA H 17 4.526 4.679 -0.153 1
1 101 . 8 1 1 A 18 18 GLY H H 18 8.209 8.686 -0.477 1
1 102 . 8 1 1 A 18 18 GLY HA2 H 18 3.608 3.870 -0.262 1
1 103 . 8 1 1 A 18 18 GLY HA3 H 18 4.089 3.873 0.216 1
1 104 . 8 1 1 A 19 19 ARG H H 19 7.569 7.641 -0.072 1
1 105 . 8 1 1 A 19 19 ARG HA H 19 4.293 4.645 -0.352 1
1 110 . 8 1 1 A 20 20 THR H H 20 8.200 8.262 -0.062 1
1 111 . 8 1 1 A 20 20 THR HA H 20 4.731 5.263 -0.532 1
1 116 . 8 1 1 A 21 21 TYR H H 21 8.819 8.465 0.354 1
1 117 . 8 1 1 A 21 21 TYR HA H 21 4.529 4.901 -0.372 1
1 124 . 8 1 1 A 22 22 ALA H H 22 8.780 8.858 -0.078 1
1 125 . 8 1 1 A 22 22 ALA HA H 22 3.901 4.240 -0.339 1
1 129 . 8 1 1 A 23 23 ASN H H 23 7.241 7.829 -0.588 1
1 130 . 8 1 1 A 23 23 ASN HA H 23 4.828 5.320 -0.492 1
1 135 . 8 1 1 A 24 24 SER H H 24 9.195 8.769 0.426 1
1 136 . 8 1 1 A 24 24 SER HA H 24 3.949 4.078 -0.129 1
1 139 . 8 1 1 A 25 25 CYS H H 25 8.059 8.075 -0.016 1
1 140 . 8 1 1 A 25 25 CYS HA H 25 4.206 4.105 0.101 1
1 143 . 8 1 1 A 26 26 ILE H H 26 8.204 8.086 0.118 1
1 144 . 8 1 1 A 26 26 ILE HA H 26 3.619 3.862 -0.243 1
1 151 . 8 1 1 A 27 27 ALA H H 27 7.502 7.979 -0.477 1
1 152 . 8 1 1 A 27 27 ALA HA H 27 2.983 3.085 -0.102 1
1 156 . 8 1 1 A 28 28 ARG H H 28 7.845 8.235 -0.390 1
1 157 . 8 1 1 A 28 28 ARG HA H 28 4.004 4.228 -0.224 1
1 161 . 8 1 1 A 29 29 CYS H H 29 8.403 7.828 0.575 1
1 162 . 8 1 1 A 29 29 CYS HA H 29 4.193 4.091 0.102 1
1 165 . 8 1 1 A 30 30 ASN H H 30 7.523 7.702 -0.179 1
1 166 . 8 1 1 A 30 30 ASN HA H 30 4.576 4.707 -0.131 1
1 169 . 8 1 1 A 31 31 GLY H H 31 7.905 8.997 -1.092 1
1 170 . 8 1 1 A 31 31 GLY HA2 H 31 3.774 3.867 -0.093 1
1 171 . 8 1 1 A 31 31 GLY HA3 H 31 3.938 3.874 0.064 1
1 172 . 8 1 1 A 32 32 VAL H H 32 7.497 7.679 -0.182 1
1 173 . 8 1 1 A 32 32 VAL HA H 32 4.149 4.645 -0.496 1
1 181 . 8 1 1 A 33 33 SER H H 33 8.127 8.747 -0.620 1
1 182 . 8 1 1 A 33 33 SER HA H 33 4.407 4.798 -0.391 1
1 184 . 8 1 1 A 34 34 ILE H H 34 8.281 8.374 -0.093 1
1 185 . 8 1 1 A 34 34 ILE HA H 34 4.180 4.271 -0.091 1
1 195 . 8 1 1 A 35 35 LYS H H 35 8.557 9.231 -0.674 1
1 196 . 8 1 1 A 35 35 LYS HA H 35 4.236 4.213 0.023 1
1 202 . 8 1 1 A 36 36 SER H H 36 8.279 7.646 0.633 1
1 203 . 8 1 1 A 36 36 SER HA H 36 4.388 5.021 -0.633 1
1 206 . 8 1 1 A 37 37 GLU H H 37 8.398 8.659 -0.261 1
1 207 . 8 1 1 A 37 37 GLU HA H 37 4.387 4.459 -0.072 1
1 211 . 8 1 1 A 38 38 GLY H H 38 8.348 8.412 -0.064 1
1 212 . 8 1 1 A 38 38 GLY HA3 H 38 3.915 4.084 -0.169 1
1 213 . 8 1 1 A 39 39 SER H H 39 8.158 8.529 -0.371 1
1 214 . 8 1 1 A 39 39 SER HA H 39 4.398 4.338 0.060 1
1 217 . 8 1 1 A 40 40 CYS H H 40 8.338 7.855 0.483 1
1 218 . 8 1 1 A 40 40 CYS HA H 40 4.743 4.754 -0.011 1
1 221 . 8 1 1 A 41 41 PRO HA H 41 4.431 4.695 -0.264 1
1 228 . 8 1 1 A 42 42 THR H H 42 8.103 8.537 -0.434 1
1 229 . 8 1 1 A 42 42 THR HA H 42 4.268 4.075 0.193 1
1 234 . 8 1 1 A 43 43 GLY H H 43 8.225 8.554 -0.329 1
1 235 . 8 1 1 A 43 43 GLY HA3 H 43 3.924 3.789 0.135 1
1 2 . 9 1 1 A 2 2 LYS H H 2 8.640 8.198 0.442 1
1 3 . 9 1 1 A 2 2 LYS HA H 2 4.327 4.332 -0.005 1
1 10 . 9 1 1 A 3 3 VAL H H 3 8.362 7.401 0.961 1
1 11 . 9 1 1 A 3 3 VAL HA H 3 4.034 3.977 0.057 1
1 19 . 9 1 1 A 4 4 CYS H H 4 8.592 8.713 -0.121 1
1 20 . 9 1 1 A 4 4 CYS HA H 4 4.612 4.709 -0.097 1
1 23 . 9 1 1 A 5 5 ALA H H 5 8.651 7.685 0.966 1
1 24 . 9 1 1 A 5 5 ALA HA H 5 4.498 4.213 0.285 1
1 28 . 9 1 1 A 6 6 CYS H H 6 7.904 7.967 -0.063 1
1 29 . 9 1 1 A 6 6 CYS HA H 6 5.269 4.647 0.622 1
1 32 . 9 1 1 A 7 7 PRO HA H 7 4.461 4.736 -0.275 1
1 39 . 9 1 1 A 8 8 LYS H H 8 8.610 8.547 0.063 1
1 40 . 9 1 1 A 8 8 LYS HA H 8 4.204 4.439 -0.235 1
1 45 . 9 1 1 A 9 9 ILE H H 9 7.006 7.212 -0.206 1
1 46 . 9 1 1 A 9 9 ILE HA H 9 4.065 3.967 0.098 1
1 53 . 9 1 1 A 10 10 LEU H H 10 8.588 8.715 -0.127 1
1 54 . 9 1 1 A 10 10 LEU HA H 10 4.585 4.507 0.078 1
1 64 . 9 1 1 A 11 11 LYS H H 11 8.678 8.133 0.545 1
1 65 . 9 1 1 A 11 11 LYS HA H 11 4.520 4.912 -0.392 1
1 70 . 9 1 1 A 12 12 PRO HA H 12 4.542 4.902 -0.360 1
1 77 . 9 1 1 A 13 13 VAL H H 13 8.317 8.247 0.070 1
1 78 . 9 1 1 A 13 13 VAL HA H 13 4.562 4.774 -0.212 1
1 86 . 9 1 1 A 14 14 CYS H H 14 8.676 8.797 -0.121 1
1 87 . 9 1 1 A 14 14 CYS HA H 14 4.875 5.067 -0.192 1
1 90 . 9 1 1 A 15 15 GLY H H 15 9.310 9.138 0.172 1
1 91 . 9 1 1 A 15 15 GLY HA2 H 15 4.631 4.204 0.427 1
1 92 . 9 1 1 A 15 15 GLY HA3 H 15 3.937 4.334 -0.397 1
1 93 . 9 1 1 A 16 16 SER H H 16 8.791 8.967 -0.176 1
1 94 . 9 1 1 A 16 16 SER HA H 16 4.116 4.117 -0.001 1
1 97 . 9 1 1 A 17 17 ASP H H 17 8.216 8.024 0.192 1
1 98 . 9 1 1 A 17 17 ASP HA H 17 4.526 4.647 -0.121 1
1 101 . 9 1 1 A 18 18 GLY H H 18 8.209 8.273 -0.064 1
1 102 . 9 1 1 A 18 18 GLY HA2 H 18 3.608 3.888 -0.280 1
1 103 . 9 1 1 A 18 18 GLY HA3 H 18 4.089 3.892 0.197 1
1 104 . 9 1 1 A 19 19 ARG H H 19 7.569 7.707 -0.138 1
1 105 . 9 1 1 A 19 19 ARG HA H 19 4.293 4.304 -0.011 1
1 110 . 9 1 1 A 20 20 THR H H 20 8.200 8.243 -0.043 1
1 111 . 9 1 1 A 20 20 THR HA H 20 4.731 5.176 -0.445 1
1 116 . 9 1 1 A 21 21 TYR H H 21 8.819 8.585 0.234 1
1 117 . 9 1 1 A 21 21 TYR HA H 21 4.529 4.885 -0.356 1
1 124 . 9 1 1 A 22 22 ALA H H 22 8.780 8.841 -0.061 1
1 125 . 9 1 1 A 22 22 ALA HA H 22 3.901 4.219 -0.318 1
1 129 . 9 1 1 A 23 23 ASN H H 23 7.241 7.780 -0.539 1
1 130 . 9 1 1 A 23 23 ASN HA H 23 4.828 5.176 -0.348 1
1 135 . 9 1 1 A 24 24 SER H H 24 9.195 8.958 0.237 1
1 136 . 9 1 1 A 24 24 SER HA H 24 3.949 4.064 -0.115 1
1 139 . 9 1 1 A 25 25 CYS H H 25 8.059 8.110 -0.051 1
1 140 . 9 1 1 A 25 25 CYS HA H 25 4.206 4.075 0.131 1
1 143 . 9 1 1 A 26 26 ILE H H 26 8.204 8.142 0.062 1
1 144 . 9 1 1 A 26 26 ILE HA H 26 3.619 3.789 -0.170 1
1 151 . 9 1 1 A 27 27 ALA H H 27 7.502 8.211 -0.709 1
1 152 . 9 1 1 A 27 27 ALA HA H 27 2.983 3.123 -0.140 1
1 156 . 9 1 1 A 28 28 ARG H H 28 7.845 7.883 -0.038 1
1 157 . 9 1 1 A 28 28 ARG HA H 28 4.004 4.067 -0.063 1
1 161 . 9 1 1 A 29 29 CYS H H 29 8.403 7.771 0.632 1
1 162 . 9 1 1 A 29 29 CYS HA H 29 4.193 4.159 0.034 1
1 165 . 9 1 1 A 30 30 ASN H H 30 7.523 8.070 -0.547 1
1 166 . 9 1 1 A 30 30 ASN HA H 30 4.576 4.622 -0.046 1
1 169 . 9 1 1 A 31 31 GLY H H 31 7.905 7.627 0.278 1
1 170 . 9 1 1 A 31 31 GLY HA2 H 31 3.774 3.983 -0.209 1
1 171 . 9 1 1 A 31 31 GLY HA3 H 31 3.938 3.995 -0.057 1
1 172 . 9 1 1 A 32 32 VAL H H 32 7.497 7.282 0.215 1
1 173 . 9 1 1 A 32 32 VAL HA H 32 4.149 4.629 -0.480 1
1 181 . 9 1 1 A 33 33 SER H H 33 8.127 8.822 -0.695 1
1 182 . 9 1 1 A 33 33 SER HA H 33 4.407 4.705 -0.298 1
1 184 . 9 1 1 A 34 34 ILE H H 34 8.281 8.342 -0.061 1
1 185 . 9 1 1 A 34 34 ILE HA H 34 4.180 4.106 0.074 1
1 195 . 9 1 1 A 35 35 LYS H H 35 8.557 9.136 -0.579 1
1 196 . 9 1 1 A 35 35 LYS HA H 35 4.236 4.281 -0.045 1
1 202 . 9 1 1 A 36 36 SER H H 36 8.279 7.742 0.537 1
1 203 . 9 1 1 A 36 36 SER HA H 36 4.388 4.895 -0.507 1
1 206 . 9 1 1 A 37 37 GLU H H 37 8.398 8.598 -0.200 1
1 207 . 9 1 1 A 37 37 GLU HA H 37 4.387 4.413 -0.026 1
1 211 . 9 1 1 A 38 38 GLY H H 38 8.348 8.305 0.043 1
1 212 . 9 1 1 A 38 38 GLY HA3 H 38 3.915 4.090 -0.175 1
1 213 . 9 1 1 A 39 39 SER H H 39 8.158 8.538 -0.380 1
1 214 . 9 1 1 A 39 39 SER HA H 39 4.398 4.333 0.065 1
1 217 . 9 1 1 A 40 40 CYS H H 40 8.338 7.990 0.348 1
1 218 . 9 1 1 A 40 40 CYS HA H 40 4.743 4.760 -0.017 1
1 221 . 9 1 1 A 41 41 PRO HA H 41 4.431 4.663 -0.232 1
1 228 . 9 1 1 A 42 42 THR H H 42 8.103 8.679 -0.576 1
1 229 . 9 1 1 A 42 42 THR HA H 42 4.268 4.512 -0.244 1
1 234 . 9 1 1 A 43 43 GLY H H 43 8.225 7.810 0.415 1
1 235 . 9 1 1 A 43 43 GLY HA3 H 43 3.924 4.134 -0.210 1
1 2 . 10 1 1 A 2 2 LYS H H 2 8.640 8.776 -0.136 1
1 3 . 10 1 1 A 2 2 LYS HA H 2 4.327 4.503 -0.176 1
1 10 . 10 1 1 A 3 3 VAL H H 3 8.362 7.719 0.643 1
1 11 . 10 1 1 A 3 3 VAL HA H 3 4.034 3.965 0.069 1
1 19 . 10 1 1 A 4 4 CYS H H 4 8.592 8.780 -0.188 1
1 20 . 10 1 1 A 4 4 CYS HA H 4 4.612 4.624 -0.012 1
1 23 . 10 1 1 A 5 5 ALA H H 5 8.651 7.652 0.999 1
1 24 . 10 1 1 A 5 5 ALA HA H 5 4.498 4.412 0.086 1
1 28 . 10 1 1 A 6 6 CYS H H 6 7.904 8.434 -0.530 1
1 29 . 10 1 1 A 6 6 CYS HA H 6 5.269 4.668 0.601 1
1 32 . 10 1 1 A 7 7 PRO HA H 7 4.461 4.707 -0.246 1
1 39 . 10 1 1 A 8 8 LYS H H 8 8.610 8.246 0.364 1
1 40 . 10 1 1 A 8 8 LYS HA H 8 4.204 4.136 0.068 1
1 45 . 10 1 1 A 9 9 ILE H H 9 7.006 7.349 -0.343 1
1 46 . 10 1 1 A 9 9 ILE HA H 9 4.065 3.968 0.097 1
1 53 . 10 1 1 A 10 10 LEU H H 10 8.588 8.508 0.080 1
1 54 . 10 1 1 A 10 10 LEU HA H 10 4.585 4.512 0.073 1
1 64 . 10 1 1 A 11 11 LYS H H 11 8.678 8.049 0.629 1
1 65 . 10 1 1 A 11 11 LYS HA H 11 4.520 4.913 -0.393 1
1 70 . 10 1 1 A 12 12 PRO HA H 12 4.542 4.711 -0.169 1
1 77 . 10 1 1 A 13 13 VAL H H 13 8.317 7.927 0.390 1
1 78 . 10 1 1 A 13 13 VAL HA H 13 4.562 4.818 -0.256 1
1 86 . 10 1 1 A 14 14 CYS H H 14 8.676 8.694 -0.018 1
1 87 . 10 1 1 A 14 14 CYS HA H 14 4.875 4.969 -0.094 1
1 90 . 10 1 1 A 15 15 GLY H H 15 9.310 9.171 0.139 1
1 91 . 10 1 1 A 15 15 GLY HA2 H 15 4.631 4.180 0.451 1
1 92 . 10 1 1 A 15 15 GLY HA3 H 15 3.937 4.292 -0.355 1
1 93 . 10 1 1 A 16 16 SER H H 16 8.791 9.143 -0.352 1
1 94 . 10 1 1 A 16 16 SER HA H 16 4.116 4.178 -0.062 1
1 97 . 10 1 1 A 17 17 ASP H H 17 8.216 7.863 0.353 1
1 98 . 10 1 1 A 17 17 ASP HA H 17 4.526 4.713 -0.187 1
1 101 . 10 1 1 A 18 18 GLY H H 18 8.209 8.208 0.001 1
1 102 . 10 1 1 A 18 18 GLY HA2 H 18 3.608 3.893 -0.285 1
1 103 . 10 1 1 A 18 18 GLY HA3 H 18 4.089 3.897 0.192 1
1 104 . 10 1 1 A 19 19 ARG H H 19 7.569 7.717 -0.148 1
1 105 . 10 1 1 A 19 19 ARG HA H 19 4.293 4.588 -0.295 1
1 110 . 10 1 1 A 20 20 THR H H 20 8.200 8.223 -0.023 1
1 111 . 10 1 1 A 20 20 THR HA H 20 4.731 5.130 -0.399 1
1 116 . 10 1 1 A 21 21 TYR H H 21 8.819 8.346 0.473 1
1 117 . 10 1 1 A 21 21 TYR HA H 21 4.529 4.895 -0.366 1
1 124 . 10 1 1 A 22 22 ALA H H 22 8.780 8.875 -0.095 1
1 125 . 10 1 1 A 22 22 ALA HA H 22 3.901 4.239 -0.338 1
1 129 . 10 1 1 A 23 23 ASN H H 23 7.241 7.704 -0.463 1
1 130 . 10 1 1 A 23 23 ASN HA H 23 4.828 5.253 -0.425 1
1 135 . 10 1 1 A 24 24 SER H H 24 9.195 8.739 0.456 1
1 136 . 10 1 1 A 24 24 SER HA H 24 3.949 4.092 -0.143 1
1 139 . 10 1 1 A 25 25 CYS H H 25 8.059 8.093 -0.034 1
1 140 . 10 1 1 A 25 25 CYS HA H 25 4.206 4.070 0.136 1
1 143 . 10 1 1 A 26 26 ILE H H 26 8.204 8.112 0.092 1
1 144 . 10 1 1 A 26 26 ILE HA H 26 3.619 3.776 -0.157 1
1 151 . 10 1 1 A 27 27 ALA H H 27 7.502 8.101 -0.599 1
1 152 . 10 1 1 A 27 27 ALA HA H 27 2.983 2.998 -0.015 1
1 156 . 10 1 1 A 28 28 ARG H H 28 7.845 8.126 -0.281 1
1 157 . 10 1 1 A 28 28 ARG HA H 28 4.004 4.128 -0.124 1
1 161 . 10 1 1 A 29 29 CYS H H 29 8.403 7.911 0.492 1
1 162 . 10 1 1 A 29 29 CYS HA H 29 4.193 4.215 -0.022 1
1 165 . 10 1 1 A 30 30 ASN H H 30 7.523 7.790 -0.267 1
1 166 . 10 1 1 A 30 30 ASN HA H 30 4.576 4.727 -0.151 1
1 169 . 10 1 1 A 31 31 GLY H H 31 7.905 8.124 -0.219 1
1 170 . 10 1 1 A 31 31 GLY HA2 H 31 3.774 3.939 -0.165 1
1 171 . 10 1 1 A 31 31 GLY HA3 H 31 3.938 3.948 -0.010 1
1 172 . 10 1 1 A 32 32 VAL H H 32 7.497 7.685 -0.188 1
1 173 . 10 1 1 A 32 32 VAL HA H 32 4.149 4.371 -0.222 1
1 181 . 10 1 1 A 33 33 SER H H 33 8.127 8.864 -0.737 1
1 182 . 10 1 1 A 33 33 SER HA H 33 4.407 4.688 -0.281 1
1 184 . 10 1 1 A 34 34 ILE H H 34 8.281 8.359 -0.078 1
1 185 . 10 1 1 A 34 34 ILE HA H 34 4.180 4.243 -0.063 1
1 195 . 10 1 1 A 35 35 LYS H H 35 8.557 9.374 -0.817 1
1 196 . 10 1 1 A 35 35 LYS HA H 35 4.236 4.351 -0.115 1
1 202 . 10 1 1 A 36 36 SER H H 36 8.279 7.607 0.672 1
1 203 . 10 1 1 A 36 36 SER HA H 36 4.388 4.789 -0.401 1
1 206 . 10 1 1 A 37 37 GLU H H 37 8.398 8.614 -0.216 1
1 207 . 10 1 1 A 37 37 GLU HA H 37 4.387 4.296 0.091 1
1 211 . 10 1 1 A 38 38 GLY H H 38 8.348 8.347 0.001 1
1 212 . 10 1 1 A 38 38 GLY HA3 H 38 3.915 4.081 -0.166 1
1 213 . 10 1 1 A 39 39 SER H H 39 8.158 8.339 -0.181 1
1 214 . 10 1 1 A 39 39 SER HA H 39 4.398 4.329 0.069 1
1 217 . 10 1 1 A 40 40 CYS H H 40 8.338 8.075 0.263 1
1 218 . 10 1 1 A 40 40 CYS HA H 40 4.743 4.953 -0.210 1
1 221 . 10 1 1 A 41 41 PRO HA H 41 4.431 4.633 -0.202 1
1 228 . 10 1 1 A 42 42 THR H H 42 8.103 8.737 -0.634 1
1 229 . 10 1 1 A 42 42 THR HA H 42 4.268 4.202 0.066 1
1 234 . 10 1 1 A 43 43 GLY H H 43 8.225 7.833 0.392 1
1 235 . 10 1 1 A 43 43 GLY HA3 H 43 3.924 4.025 -0.101 1
1 2 . 11 1 1 A 2 2 LYS H H 2 8.640 8.836 -0.196 1
1 3 . 11 1 1 A 2 2 LYS HA H 2 4.327 4.903 -0.576 1
1 10 . 11 1 1 A 3 3 VAL H H 3 8.362 8.776 -0.414 1
1 11 . 11 1 1 A 3 3 VAL HA H 3 4.034 4.141 -0.107 1
1 19 . 11 1 1 A 4 4 CYS H H 4 8.592 8.751 -0.159 1
1 20 . 11 1 1 A 4 4 CYS HA H 4 4.612 4.697 -0.085 1
1 23 . 11 1 1 A 5 5 ALA H H 5 8.651 7.797 0.854 1
1 24 . 11 1 1 A 5 5 ALA HA H 5 4.498 4.164 0.334 1
1 28 . 11 1 1 A 6 6 CYS H H 6 7.904 8.631 -0.727 1
1 29 . 11 1 1 A 6 6 CYS HA H 6 5.269 4.611 0.658 1
1 32 . 11 1 1 A 7 7 PRO HA H 7 4.461 4.676 -0.215 1
1 39 . 11 1 1 A 8 8 LYS H H 8 8.610 8.265 0.345 1
1 40 . 11 1 1 A 8 8 LYS HA H 8 4.204 4.117 0.087 1
1 45 . 11 1 1 A 9 9 ILE H H 9 7.006 7.383 -0.377 1
1 46 . 11 1 1 A 9 9 ILE HA H 9 4.065 3.969 0.096 1
1 53 . 11 1 1 A 10 10 LEU H H 10 8.588 8.697 -0.109 1
1 54 . 11 1 1 A 10 10 LEU HA H 10 4.585 4.634 -0.049 1
1 64 . 11 1 1 A 11 11 LYS H H 11 8.678 8.380 0.298 1
1 65 . 11 1 1 A 11 11 LYS HA H 11 4.520 4.875 -0.355 1
1 70 . 11 1 1 A 12 12 PRO HA H 12 4.542 4.675 -0.133 1
1 77 . 11 1 1 A 13 13 VAL H H 13 8.317 8.191 0.126 1
1 78 . 11 1 1 A 13 13 VAL HA H 13 4.562 4.836 -0.274 1
1 86 . 11 1 1 A 14 14 CYS H H 14 8.676 8.919 -0.243 1
1 87 . 11 1 1 A 14 14 CYS HA H 14 4.875 5.303 -0.428 1
1 90 . 11 1 1 A 15 15 GLY H H 15 9.310 9.170 0.140 1
1 91 . 11 1 1 A 15 15 GLY HA2 H 15 4.631 4.199 0.432 1
1 92 . 11 1 1 A 15 15 GLY HA3 H 15 3.937 4.331 -0.394 1
1 93 . 11 1 1 A 16 16 SER H H 16 8.791 8.893 -0.102 1
1 94 . 11 1 1 A 16 16 SER HA H 16 4.116 4.198 -0.082 1
1 97 . 11 1 1 A 17 17 ASP H H 17 8.216 7.905 0.311 1
1 98 . 11 1 1 A 17 17 ASP HA H 17 4.526 4.686 -0.160 1
1 101 . 11 1 1 A 18 18 GLY H H 18 8.209 8.241 -0.032 1
1 102 . 11 1 1 A 18 18 GLY HA2 H 18 3.608 3.907 -0.299 1
1 103 . 11 1 1 A 18 18 GLY HA3 H 18 4.089 3.911 0.178 1
1 104 . 11 1 1 A 19 19 ARG H H 19 7.569 7.897 -0.328 1
1 105 . 11 1 1 A 19 19 ARG HA H 19 4.293 4.366 -0.073 1
1 110 . 11 1 1 A 20 20 THR H H 20 8.200 8.125 0.075 1
1 111 . 11 1 1 A 20 20 THR HA H 20 4.731 5.152 -0.421 1
1 116 . 11 1 1 A 21 21 TYR H H 21 8.819 8.513 0.306 1
1 117 . 11 1 1 A 21 21 TYR HA H 21 4.529 4.907 -0.378 1
1 124 . 11 1 1 A 22 22 ALA H H 22 8.780 8.902 -0.122 1
1 125 . 11 1 1 A 22 22 ALA HA H 22 3.901 4.231 -0.330 1
1 129 . 11 1 1 A 23 23 ASN H H 23 7.241 7.786 -0.545 1
1 130 . 11 1 1 A 23 23 ASN HA H 23 4.828 5.269 -0.441 1
1 135 . 11 1 1 A 24 24 SER H H 24 9.195 8.727 0.468 1
1 136 . 11 1 1 A 24 24 SER HA H 24 3.949 4.084 -0.135 1
1 139 . 11 1 1 A 25 25 CYS H H 25 8.059 8.082 -0.023 1
1 140 . 11 1 1 A 25 25 CYS HA H 25 4.206 4.112 0.094 1
1 143 . 11 1 1 A 26 26 ILE H H 26 8.204 8.223 -0.019 1
1 144 . 11 1 1 A 26 26 ILE HA H 26 3.619 3.853 -0.234 1
1 151 . 11 1 1 A 27 27 ALA H H 27 7.502 8.090 -0.588 1
1 152 . 11 1 1 A 27 27 ALA HA H 27 2.983 3.182 -0.199 1
1 156 . 11 1 1 A 28 28 ARG H H 28 7.845 8.144 -0.299 1
1 157 . 11 1 1 A 28 28 ARG HA H 28 4.004 4.206 -0.202 1
1 161 . 11 1 1 A 29 29 CYS H H 29 8.403 7.445 0.958 1
1 162 . 11 1 1 A 29 29 CYS HA H 29 4.193 4.093 0.100 1
1 165 . 11 1 1 A 30 30 ASN H H 30 7.523 7.679 -0.156 1
1 166 . 11 1 1 A 30 30 ASN HA H 30 4.576 4.628 -0.052 1
1 169 . 11 1 1 A 31 31 GLY H H 31 7.905 8.253 -0.348 1
1 170 . 11 1 1 A 31 31 GLY HA2 H 31 3.774 3.945 -0.171 1
1 171 . 11 1 1 A 31 31 GLY HA3 H 31 3.938 3.951 -0.013 1
1 172 . 11 1 1 A 32 32 VAL H H 32 7.497 7.729 -0.232 1
1 173 . 11 1 1 A 32 32 VAL HA H 32 4.149 4.378 -0.229 1
1 181 . 11 1 1 A 33 33 SER H H 33 8.127 8.820 -0.693 1
1 182 . 11 1 1 A 33 33 SER HA H 33 4.407 4.698 -0.291 1
1 184 . 11 1 1 A 34 34 ILE H H 34 8.281 8.396 -0.115 1
1 185 . 11 1 1 A 34 34 ILE HA H 34 4.180 4.267 -0.087 1
1 195 . 11 1 1 A 35 35 LYS H H 35 8.557 9.245 -0.688 1
1 196 . 11 1 1 A 35 35 LYS HA H 35 4.236 4.215 0.021 1
1 202 . 11 1 1 A 36 36 SER H H 36 8.279 7.593 0.686 1
1 203 . 11 1 1 A 36 36 SER HA H 36 4.388 4.759 -0.371 1
1 206 . 11 1 1 A 37 37 GLU H H 37 8.398 8.615 -0.217 1
1 207 . 11 1 1 A 37 37 GLU HA H 37 4.387 4.363 0.024 1
1 211 . 11 1 1 A 38 38 GLY H H 38 8.348 8.459 -0.111 1
1 212 . 11 1 1 A 38 38 GLY HA3 H 38 3.915 4.080 -0.165 1
1 213 . 11 1 1 A 39 39 SER H H 39 8.158 8.282 -0.124 1
1 214 . 11 1 1 A 39 39 SER HA H 39 4.398 4.412 -0.014 1
1 217 . 11 1 1 A 40 40 CYS H H 40 8.338 8.032 0.306 1
1 218 . 11 1 1 A 40 40 CYS HA H 40 4.743 5.004 -0.261 1
1 221 . 11 1 1 A 41 41 PRO HA H 41 4.431 4.712 -0.281 1
1 228 . 11 1 1 A 42 42 THR H H 42 8.103 8.694 -0.591 1
1 229 . 11 1 1 A 42 42 THR HA H 42 4.268 4.158 0.110 1
1 234 . 11 1 1 A 43 43 GLY H H 43 8.225 7.757 0.468 1
1 235 . 11 1 1 A 43 43 GLY HA3 H 43 3.924 4.041 -0.117 1
1 2 . 12 1 1 A 2 2 LYS H H 2 8.640 8.665 -0.025 1
1 3 . 12 1 1 A 2 2 LYS HA H 2 4.327 4.884 -0.557 1
1 10 . 12 1 1 A 3 3 VAL H H 3 8.362 8.483 -0.121 1
1 11 . 12 1 1 A 3 3 VAL HA H 3 4.034 4.092 -0.058 1
1 19 . 12 1 1 A 4 4 CYS H H 4 8.592 8.771 -0.179 1
1 20 . 12 1 1 A 4 4 CYS HA H 4 4.612 5.155 -0.543 1
1 23 . 12 1 1 A 5 5 ALA H H 5 8.651 8.630 0.021 1
1 24 . 12 1 1 A 5 5 ALA HA H 5 4.498 4.710 -0.212 1
1 28 . 12 1 1 A 6 6 CYS H H 6 7.904 8.329 -0.425 1
1 29 . 12 1 1 A 6 6 CYS HA H 6 5.269 4.594 0.675 1
1 32 . 12 1 1 A 7 7 PRO HA H 7 4.461 4.625 -0.164 1
1 39 . 12 1 1 A 8 8 LYS H H 8 8.610 8.450 0.160 1
1 40 . 12 1 1 A 8 8 LYS HA H 8 4.204 4.477 -0.273 1
1 45 . 12 1 1 A 9 9 ILE H H 9 7.006 7.234 -0.228 1
1 46 . 12 1 1 A 9 9 ILE HA H 9 4.065 4.041 0.024 1
1 53 . 12 1 1 A 10 10 LEU H H 10 8.588 8.378 0.210 1
1 54 . 12 1 1 A 10 10 LEU HA H 10 4.585 4.362 0.223 1
1 64 . 12 1 1 A 11 11 LYS H H 11 8.678 7.951 0.727 1
1 65 . 12 1 1 A 11 11 LYS HA H 11 4.520 4.889 -0.369 1
1 70 . 12 1 1 A 12 12 PRO HA H 12 4.542 4.711 -0.169 1
1 77 . 12 1 1 A 13 13 VAL H H 13 8.317 8.359 -0.042 1
1 78 . 12 1 1 A 13 13 VAL HA H 13 4.562 4.739 -0.177 1
1 86 . 12 1 1 A 14 14 CYS H H 14 8.676 8.680 -0.004 1
1 87 . 12 1 1 A 14 14 CYS HA H 14 4.875 4.872 0.003 1
1 90 . 12 1 1 A 15 15 GLY H H 15 9.310 8.947 0.363 1
1 91 . 12 1 1 A 15 15 GLY HA2 H 15 4.631 4.207 0.424 1
1 92 . 12 1 1 A 15 15 GLY HA3 H 15 3.937 4.318 -0.381 1
1 93 . 12 1 1 A 16 16 SER H H 16 8.791 9.166 -0.375 1
1 94 . 12 1 1 A 16 16 SER HA H 16 4.116 4.323 -0.207 1
1 97 . 12 1 1 A 17 17 ASP H H 17 8.216 7.873 0.343 1
1 98 . 12 1 1 A 17 17 ASP HA H 17 4.526 4.701 -0.175 1
1 101 . 12 1 1 A 18 18 GLY H H 18 8.209 8.401 -0.192 1
1 102 . 12 1 1 A 18 18 GLY HA2 H 18 3.608 3.896 -0.288 1
1 103 . 12 1 1 A 18 18 GLY HA3 H 18 4.089 3.897 0.192 1
1 104 . 12 1 1 A 19 19 ARG H H 19 7.569 7.530 0.039 1
1 105 . 12 1 1 A 19 19 ARG HA H 19 4.293 4.861 -0.568 1
1 110 . 12 1 1 A 20 20 THR H H 20 8.200 8.623 -0.423 1
1 111 . 12 1 1 A 20 20 THR HA H 20 4.731 5.094 -0.363 1
1 116 . 12 1 1 A 21 21 TYR H H 21 8.819 8.230 0.589 1
1 117 . 12 1 1 A 21 21 TYR HA H 21 4.529 4.893 -0.364 1
1 124 . 12 1 1 A 22 22 ALA H H 22 8.780 8.899 -0.119 1
1 125 . 12 1 1 A 22 22 ALA HA H 22 3.901 4.232 -0.331 1
1 129 . 12 1 1 A 23 23 ASN H H 23 7.241 7.785 -0.544 1
1 130 . 12 1 1 A 23 23 ASN HA H 23 4.828 5.252 -0.424 1
1 135 . 12 1 1 A 24 24 SER H H 24 9.195 8.785 0.410 1
1 136 . 12 1 1 A 24 24 SER HA H 24 3.949 4.153 -0.204 1
1 139 . 12 1 1 A 25 25 CYS H H 25 8.059 7.550 0.509 1
1 140 . 12 1 1 A 25 25 CYS HA H 25 4.206 4.297 -0.091 1
1 143 . 12 1 1 A 26 26 ILE H H 26 8.204 8.158 0.046 1
1 144 . 12 1 1 A 26 26 ILE HA H 26 3.619 3.798 -0.179 1
1 151 . 12 1 1 A 27 27 ALA H H 27 7.502 7.931 -0.429 1
1 152 . 12 1 1 A 27 27 ALA HA H 27 2.983 2.969 0.014 1
1 156 . 12 1 1 A 28 28 ARG H H 28 7.845 7.869 -0.024 1
1 157 . 12 1 1 A 28 28 ARG HA H 28 4.004 4.164 -0.160 1
1 161 . 12 1 1 A 29 29 CYS H H 29 8.403 7.974 0.429 1
1 162 . 12 1 1 A 29 29 CYS HA H 29 4.193 4.085 0.108 1
1 165 . 12 1 1 A 30 30 ASN H H 30 7.523 7.576 -0.053 1
1 166 . 12 1 1 A 30 30 ASN HA H 30 4.576 4.676 -0.100 1
1 169 . 12 1 1 A 31 31 GLY H H 31 7.905 8.440 -0.535 1
1 170 . 12 1 1 A 31 31 GLY HA2 H 31 3.774 3.899 -0.125 1
1 171 . 12 1 1 A 31 31 GLY HA3 H 31 3.938 3.908 0.030 1
1 172 . 12 1 1 A 32 32 VAL H H 32 7.497 7.739 -0.242 1
1 173 . 12 1 1 A 32 32 VAL HA H 32 4.149 4.673 -0.524 1
1 181 . 12 1 1 A 33 33 SER H H 33 8.127 9.043 -0.916 1
1 182 . 12 1 1 A 33 33 SER HA H 33 4.407 5.041 -0.634 1
1 184 . 12 1 1 A 34 34 ILE H H 34 8.281 8.446 -0.165 1
1 185 . 12 1 1 A 34 34 ILE HA H 34 4.180 4.390 -0.210 1
1 195 . 12 1 1 A 35 35 LYS H H 35 8.557 9.311 -0.754 1
1 196 . 12 1 1 A 35 35 LYS HA H 35 4.236 4.197 0.039 1
1 202 . 12 1 1 A 36 36 SER H H 36 8.279 7.451 0.828 1
1 203 . 12 1 1 A 36 36 SER HA H 36 4.388 4.611 -0.223 1
1 206 . 12 1 1 A 37 37 GLU H H 37 8.398 8.606 -0.208 1
1 207 . 12 1 1 A 37 37 GLU HA H 37 4.387 4.331 0.056 1
1 211 . 12 1 1 A 38 38 GLY H H 38 8.348 8.239 0.109 1
1 212 . 12 1 1 A 38 38 GLY HA3 H 38 3.915 4.079 -0.164 1
1 213 . 12 1 1 A 39 39 SER H H 39 8.158 8.523 -0.365 1
1 214 . 12 1 1 A 39 39 SER HA H 39 4.398 4.342 0.056 1
1 217 . 12 1 1 A 40 40 CYS H H 40 8.338 8.539 -0.201 1
1 218 . 12 1 1 A 40 40 CYS HA H 40 4.743 5.011 -0.268 1
1 221 . 12 1 1 A 41 41 PRO HA H 41 4.431 4.699 -0.268 1
1 228 . 12 1 1 A 42 42 THR H H 42 8.103 8.487 -0.384 1
1 229 . 12 1 1 A 42 42 THR HA H 42 4.268 4.323 -0.055 1
1 234 . 12 1 1 A 43 43 GLY H H 43 8.225 8.180 0.045 1
1 235 . 12 1 1 A 43 43 GLY HA3 H 43 3.924 3.938 -0.014 1
1 2 . 13 1 1 A 2 2 LYS H H 2 8.640 8.489 0.151 1
1 3 . 13 1 1 A 2 2 LYS HA H 2 4.327 4.500 -0.173 1
1 10 . 13 1 1 A 3 3 VAL H H 3 8.362 7.905 0.457 1
1 11 . 13 1 1 A 3 3 VAL HA H 3 4.034 3.980 0.054 1
1 19 . 13 1 1 A 4 4 CYS H H 4 8.592 8.094 0.498 1
1 20 . 13 1 1 A 4 4 CYS HA H 4 4.612 4.067 0.545 1
1 23 . 13 1 1 A 5 5 ALA H H 5 8.651 7.574 1.077 1
1 24 . 13 1 1 A 5 5 ALA HA H 5 4.498 4.644 -0.146 1
1 28 . 13 1 1 A 6 6 CYS H H 6 7.904 8.625 -0.721 1
1 29 . 13 1 1 A 6 6 CYS HA H 6 5.269 4.608 0.661 1
1 32 . 13 1 1 A 7 7 PRO HA H 7 4.461 4.779 -0.318 1
1 39 . 13 1 1 A 8 8 LYS H H 8 8.610 8.033 0.577 1
1 40 . 13 1 1 A 8 8 LYS HA H 8 4.204 4.506 -0.302 1
1 45 . 13 1 1 A 9 9 ILE H H 9 7.006 7.243 -0.237 1
1 46 . 13 1 1 A 9 9 ILE HA H 9 4.065 4.016 0.049 1
1 53 . 13 1 1 A 10 10 LEU H H 10 8.588 8.496 0.092 1
1 54 . 13 1 1 A 10 10 LEU HA H 10 4.585 4.429 0.156 1
1 64 . 13 1 1 A 11 11 LYS H H 11 8.678 7.756 0.922 1
1 65 . 13 1 1 A 11 11 LYS HA H 11 4.520 4.886 -0.366 1
1 70 . 13 1 1 A 12 12 PRO HA H 12 4.542 4.722 -0.180 1
1 77 . 13 1 1 A 13 13 VAL H H 13 8.317 8.029 0.288 1
1 78 . 13 1 1 A 13 13 VAL HA H 13 4.562 4.805 -0.243 1
1 86 . 13 1 1 A 14 14 CYS H H 14 8.676 8.857 -0.181 1
1 87 . 13 1 1 A 14 14 CYS HA H 14 4.875 5.524 -0.649 1
1 90 . 13 1 1 A 15 15 GLY H H 15 9.310 9.344 -0.034 1
1 91 . 13 1 1 A 15 15 GLY HA2 H 15 4.631 4.166 0.465 1
1 92 . 13 1 1 A 15 15 GLY HA3 H 15 3.937 4.297 -0.360 1
1 93 . 13 1 1 A 16 16 SER H H 16 8.791 8.769 0.022 1
1 94 . 13 1 1 A 16 16 SER HA H 16 4.116 4.209 -0.093 1
1 97 . 13 1 1 A 17 17 ASP H H 17 8.216 8.041 0.175 1
1 98 . 13 1 1 A 17 17 ASP HA H 17 4.526 4.653 -0.127 1
1 101 . 13 1 1 A 18 18 GLY H H 18 8.209 8.405 -0.196 1
1 102 . 13 1 1 A 18 18 GLY HA2 H 18 3.608 3.740 -0.132 1
1 103 . 13 1 1 A 18 18 GLY HA3 H 18 4.089 3.749 0.340 1
1 104 . 13 1 1 A 19 19 ARG H H 19 7.569 7.745 -0.176 1
1 105 . 13 1 1 A 19 19 ARG HA H 19 4.293 4.656 -0.363 1
1 110 . 13 1 1 A 20 20 THR H H 20 8.200 8.288 -0.088 1
1 111 . 13 1 1 A 20 20 THR HA H 20 4.731 4.914 -0.183 1
1 116 . 13 1 1 A 21 21 TYR H H 21 8.819 8.756 0.063 1
1 117 . 13 1 1 A 21 21 TYR HA H 21 4.529 4.980 -0.451 1
1 124 . 13 1 1 A 22 22 ALA H H 22 8.780 8.850 -0.070 1
1 125 . 13 1 1 A 22 22 ALA HA H 22 3.901 4.221 -0.320 1
1 129 . 13 1 1 A 23 23 ASN H H 23 7.241 7.809 -0.568 1
1 130 . 13 1 1 A 23 23 ASN HA H 23 4.828 5.267 -0.439 1
1 135 . 13 1 1 A 24 24 SER H H 24 9.195 8.849 0.346 1
1 136 . 13 1 1 A 24 24 SER HA H 24 3.949 4.018 -0.069 1
1 139 . 13 1 1 A 25 25 CYS H H 25 8.059 8.058 0.001 1
1 140 . 13 1 1 A 25 25 CYS HA H 25 4.206 4.116 0.090 1
1 143 . 13 1 1 A 26 26 ILE H H 26 8.204 8.007 0.197 1
1 144 . 13 1 1 A 26 26 ILE HA H 26 3.619 3.862 -0.243 1
1 151 . 13 1 1 A 27 27 ALA H H 27 7.502 7.905 -0.403 1
1 152 . 13 1 1 A 27 27 ALA HA H 27 2.983 2.847 0.136 1
1 156 . 13 1 1 A 28 28 ARG H H 28 7.845 7.831 0.014 1
1 157 . 13 1 1 A 28 28 ARG HA H 28 4.004 4.275 -0.271 1
1 161 . 13 1 1 A 29 29 CYS H H 29 8.403 7.711 0.692 1
1 162 . 13 1 1 A 29 29 CYS HA H 29 4.193 4.008 0.185 1
1 165 . 13 1 1 A 30 30 ASN H H 30 7.523 7.804 -0.281 1
1 166 . 13 1 1 A 30 30 ASN HA H 30 4.576 4.600 -0.024 1
1 169 . 13 1 1 A 31 31 GLY H H 31 7.905 8.101 -0.196 1
1 170 . 13 1 1 A 31 31 GLY HA2 H 31 3.774 3.905 -0.131 1
1 171 . 13 1 1 A 31 31 GLY HA3 H 31 3.938 3.913 0.025 1
1 172 . 13 1 1 A 32 32 VAL H H 32 7.497 7.538 -0.041 1
1 173 . 13 1 1 A 32 32 VAL HA H 32 4.149 4.386 -0.237 1
1 181 . 13 1 1 A 33 33 SER H H 33 8.127 8.576 -0.449 1
1 182 . 13 1 1 A 33 33 SER HA H 33 4.407 4.881 -0.474 1
1 184 . 13 1 1 A 34 34 ILE H H 34 8.281 8.347 -0.066 1
1 185 . 13 1 1 A 34 34 ILE HA H 34 4.180 4.304 -0.124 1
1 195 . 13 1 1 A 35 35 LYS H H 35 8.557 9.187 -0.630 1
1 196 . 13 1 1 A 35 35 LYS HA H 35 4.236 4.148 0.088 1
1 202 . 13 1 1 A 36 36 SER H H 36 8.279 7.390 0.889 1
1 203 . 13 1 1 A 36 36 SER HA H 36 4.388 4.653 -0.265 1
1 206 . 13 1 1 A 37 37 GLU H H 37 8.398 8.635 -0.237 1
1 207 . 13 1 1 A 37 37 GLU HA H 37 4.387 4.376 0.011 1
1 211 . 13 1 1 A 38 38 GLY H H 38 8.348 8.318 0.030 1
1 212 . 13 1 1 A 38 38 GLY HA3 H 38 3.915 4.084 -0.169 1
1 213 . 13 1 1 A 39 39 SER H H 39 8.158 8.352 -0.194 1
1 214 . 13 1 1 A 39 39 SER HA H 39 4.398 4.338 0.060 1
1 217 . 13 1 1 A 40 40 CYS H H 40 8.338 8.283 0.055 1
1 218 . 13 1 1 A 40 40 CYS HA H 40 4.743 4.962 -0.219 1
1 221 . 13 1 1 A 41 41 PRO HA H 41 4.431 4.743 -0.312 1
1 228 . 13 1 1 A 42 42 THR H H 42 8.103 8.539 -0.436 1
1 229 . 13 1 1 A 42 42 THR HA H 42 4.268 4.796 -0.528 1
1 234 . 13 1 1 A 43 43 GLY H H 43 8.225 8.272 -0.047 1
1 235 . 13 1 1 A 43 43 GLY HA3 H 43 3.924 4.086 -0.162 1
1 2 . 14 1 1 A 2 2 LYS H H 2 8.640 8.300 0.340 1
1 3 . 14 1 1 A 2 2 LYS HA H 2 4.327 4.756 -0.429 1
1 10 . 14 1 1 A 3 3 VAL H H 3 8.362 8.488 -0.126 1
1 11 . 14 1 1 A 3 3 VAL HA H 3 4.034 4.106 -0.072 1
1 19 . 14 1 1 A 4 4 CYS H H 4 8.592 8.864 -0.272 1
1 20 . 14 1 1 A 4 4 CYS HA H 4 4.612 4.742 -0.130 1
1 23 . 14 1 1 A 5 5 ALA H H 5 8.651 7.660 0.991 1
1 24 . 14 1 1 A 5 5 ALA HA H 5 4.498 4.417 0.081 1
1 28 . 14 1 1 A 6 6 CYS H H 6 7.904 8.545 -0.641 1
1 29 . 14 1 1 A 6 6 CYS HA H 6 5.269 4.692 0.577 1
1 32 . 14 1 1 A 7 7 PRO HA H 7 4.461 4.744 -0.283 1
1 39 . 14 1 1 A 8 8 LYS H H 8 8.610 8.506 0.104 1
1 40 . 14 1 1 A 8 8 LYS HA H 8 4.204 4.526 -0.322 1
1 45 . 14 1 1 A 9 9 ILE H H 9 7.006 7.366 -0.360 1
1 46 . 14 1 1 A 9 9 ILE HA H 9 4.065 4.206 -0.141 1
1 53 . 14 1 1 A 10 10 LEU H H 10 8.588 8.494 0.094 1
1 54 . 14 1 1 A 10 10 LEU HA H 10 4.585 4.757 -0.172 1
1 64 . 14 1 1 A 11 11 LYS H H 11 8.678 8.745 -0.067 1
1 65 . 14 1 1 A 11 11 LYS HA H 11 4.520 4.893 -0.373 1
1 70 . 14 1 1 A 12 12 PRO HA H 12 4.542 4.692 -0.150 1
1 77 . 14 1 1 A 13 13 VAL H H 13 8.317 8.048 0.269 1
1 78 . 14 1 1 A 13 13 VAL HA H 13 4.562 4.829 -0.267 1
1 86 . 14 1 1 A 14 14 CYS H H 14 8.676 8.895 -0.219 1
1 87 . 14 1 1 A 14 14 CYS HA H 14 4.875 5.415 -0.540 1
1 90 . 14 1 1 A 15 15 GLY H H 15 9.310 9.161 0.149 1
1 91 . 14 1 1 A 15 15 GLY HA2 H 15 4.631 4.167 0.464 1
1 92 . 14 1 1 A 15 15 GLY HA3 H 15 3.937 4.208 -0.271 1
1 93 . 14 1 1 A 16 16 SER H H 16 8.791 9.040 -0.249 1
1 94 . 14 1 1 A 16 16 SER HA H 16 4.116 4.139 -0.023 1
1 97 . 14 1 1 A 17 17 ASP H H 17 8.216 7.717 0.499 1
1 98 . 14 1 1 A 17 17 ASP HA H 17 4.526 4.751 -0.225 1
1 101 . 14 1 1 A 18 18 GLY H H 18 8.209 8.229 -0.020 1
1 102 . 14 1 1 A 18 18 GLY HA2 H 18 3.608 3.916 -0.308 1
1 103 . 14 1 1 A 18 18 GLY HA3 H 18 4.089 3.920 0.169 1
1 104 . 14 1 1 A 19 19 ARG H H 19 7.569 7.812 -0.243 1
1 105 . 14 1 1 A 19 19 ARG HA H 19 4.293 4.195 0.098 1
1 110 . 14 1 1 A 20 20 THR H H 20 8.200 8.431 -0.231 1
1 111 . 14 1 1 A 20 20 THR HA H 20 4.731 5.134 -0.403 1
1 116 . 14 1 1 A 21 21 TYR H H 21 8.819 8.969 -0.150 1
1 117 . 14 1 1 A 21 21 TYR HA H 21 4.529 4.958 -0.429 1
1 124 . 14 1 1 A 22 22 ALA H H 22 8.780 8.781 -0.001 1
1 125 . 14 1 1 A 22 22 ALA HA H 22 3.901 4.211 -0.310 1
1 129 . 14 1 1 A 23 23 ASN H H 23 7.241 7.697 -0.456 1
1 130 . 14 1 1 A 23 23 ASN HA H 23 4.828 5.446 -0.618 1
1 135 . 14 1 1 A 24 24 SER H H 24 9.195 8.847 0.348 1
1 136 . 14 1 1 A 24 24 SER HA H 24 3.949 4.052 -0.103 1
1 139 . 14 1 1 A 25 25 CYS H H 25 8.059 8.093 -0.034 1
1 140 . 14 1 1 A 25 25 CYS HA H 25 4.206 4.020 0.186 1
1 143 . 14 1 1 A 26 26 ILE H H 26 8.204 7.937 0.267 1
1 144 . 14 1 1 A 26 26 ILE HA H 26 3.619 3.648 -0.029 1
1 151 . 14 1 1 A 27 27 ALA H H 27 7.502 8.186 -0.684 1
1 152 . 14 1 1 A 27 27 ALA HA H 27 2.983 3.033 -0.050 1
1 156 . 14 1 1 A 28 28 ARG H H 28 7.845 7.984 -0.139 1
1 157 . 14 1 1 A 28 28 ARG HA H 28 4.004 3.986 0.018 1
1 161 . 14 1 1 A 29 29 CYS H H 29 8.403 7.691 0.712 1
1 162 . 14 1 1 A 29 29 CYS HA H 29 4.193 4.082 0.111 1
1 165 . 14 1 1 A 30 30 ASN H H 30 7.523 7.788 -0.265 1
1 166 . 14 1 1 A 30 30 ASN HA H 30 4.576 4.668 -0.092 1
1 169 . 14 1 1 A 31 31 GLY H H 31 7.905 8.349 -0.444 1
1 170 . 14 1 1 A 31 31 GLY HA2 H 31 3.774 3.910 -0.136 1
1 171 . 14 1 1 A 31 31 GLY HA3 H 31 3.938 3.921 0.017 1
1 172 . 14 1 1 A 32 32 VAL H H 32 7.497 7.314 0.183 1
1 173 . 14 1 1 A 32 32 VAL HA H 32 4.149 4.747 -0.598 1
1 181 . 14 1 1 A 33 33 SER H H 33 8.127 8.975 -0.848 1
1 182 . 14 1 1 A 33 33 SER HA H 33 4.407 4.627 -0.220 1
1 184 . 14 1 1 A 34 34 ILE H H 34 8.281 8.550 -0.269 1
1 185 . 14 1 1 A 34 34 ILE HA H 34 4.180 4.449 -0.269 1
1 195 . 14 1 1 A 35 35 LYS H H 35 8.557 9.267 -0.710 1
1 196 . 14 1 1 A 35 35 LYS HA H 35 4.236 4.229 0.007 1
1 202 . 14 1 1 A 36 36 SER H H 36 8.279 7.462 0.817 1
1 203 . 14 1 1 A 36 36 SER HA H 36 4.388 4.663 -0.275 1
1 206 . 14 1 1 A 37 37 GLU H H 37 8.398 8.652 -0.254 1
1 207 . 14 1 1 A 37 37 GLU HA H 37 4.387 4.475 -0.088 1
1 211 . 14 1 1 A 38 38 GLY H H 38 8.348 8.309 0.039 1
1 212 . 14 1 1 A 38 38 GLY HA3 H 38 3.915 4.088 -0.173 1
1 213 . 14 1 1 A 39 39 SER H H 39 8.158 8.363 -0.205 1
1 214 . 14 1 1 A 39 39 SER HA H 39 4.398 4.313 0.085 1
1 217 . 14 1 1 A 40 40 CYS H H 40 8.338 7.903 0.435 1
1 218 . 14 1 1 A 40 40 CYS HA H 40 4.743 4.829 -0.086 1
1 221 . 14 1 1 A 41 41 PRO HA H 41 4.431 4.682 -0.251 1
1 228 . 14 1 1 A 42 42 THR H H 42 8.103 8.597 -0.494 1
1 229 . 14 1 1 A 42 42 THR HA H 42 4.268 4.260 0.008 1
1 234 . 14 1 1 A 43 43 GLY H H 43 8.225 7.770 0.455 1
1 235 . 14 1 1 A 43 43 GLY HA3 H 43 3.924 3.902 0.022 1
1 2 . 15 1 1 A 2 2 LYS H H 2 8.640 8.407 0.233 1
1 3 . 15 1 1 A 2 2 LYS HA H 2 4.327 4.396 -0.069 1
1 10 . 15 1 1 A 3 3 VAL H H 3 8.362 8.144 0.218 1
1 11 . 15 1 1 A 3 3 VAL HA H 3 4.034 4.049 -0.015 1
1 19 . 15 1 1 A 4 4 CYS H H 4 8.592 8.998 -0.406 1
1 20 . 15 1 1 A 4 4 CYS HA H 4 4.612 4.561 0.051 1
1 23 . 15 1 1 A 5 5 ALA H H 5 8.651 8.082 0.569 1
1 24 . 15 1 1 A 5 5 ALA HA H 5 4.498 4.272 0.226 1
1 28 . 15 1 1 A 6 6 CYS H H 6 7.904 7.875 0.029 1
1 29 . 15 1 1 A 6 6 CYS HA H 6 5.269 4.635 0.634 1
1 32 . 15 1 1 A 7 7 PRO HA H 7 4.461 4.769 -0.308 1
1 39 . 15 1 1 A 8 8 LYS H H 8 8.610 8.073 0.537 1
1 40 . 15 1 1 A 8 8 LYS HA H 8 4.204 4.514 -0.310 1
1 45 . 15 1 1 A 9 9 ILE H H 9 7.006 7.304 -0.298 1
1 46 . 15 1 1 A 9 9 ILE HA H 9 4.065 4.260 -0.195 1
1 53 . 15 1 1 A 10 10 LEU H H 10 8.588 8.334 0.254 1
1 54 . 15 1 1 A 10 10 LEU HA H 10 4.585 4.702 -0.117 1
1 64 . 15 1 1 A 11 11 LYS H H 11 8.678 8.647 0.031 1
1 65 . 15 1 1 A 11 11 LYS HA H 11 4.520 4.892 -0.372 1
1 70 . 15 1 1 A 12 12 PRO HA H 12 4.542 4.677 -0.135 1
1 77 . 15 1 1 A 13 13 VAL H H 13 8.317 8.077 0.240 1
1 78 . 15 1 1 A 13 13 VAL HA H 13 4.562 4.800 -0.238 1
1 86 . 15 1 1 A 14 14 CYS H H 14 8.676 8.919 -0.243 1
1 87 . 15 1 1 A 14 14 CYS HA H 14 4.875 5.328 -0.453 1
1 90 . 15 1 1 A 15 15 GLY H H 15 9.310 9.163 0.147 1
1 91 . 15 1 1 A 15 15 GLY HA2 H 15 4.631 4.204 0.427 1
1 92 . 15 1 1 A 15 15 GLY HA3 H 15 3.937 4.326 -0.389 1
1 93 . 15 1 1 A 16 16 SER H H 16 8.791 8.862 -0.071 1
1 94 . 15 1 1 A 16 16 SER HA H 16 4.116 4.201 -0.085 1
1 97 . 15 1 1 A 17 17 ASP H H 17 8.216 7.851 0.365 1
1 98 . 15 1 1 A 17 17 ASP HA H 17 4.526 4.710 -0.184 1
1 101 . 15 1 1 A 18 18 GLY H H 18 8.209 8.225 -0.016 1
1 102 . 15 1 1 A 18 18 GLY HA2 H 18 3.608 3.894 -0.286 1
1 103 . 15 1 1 A 18 18 GLY HA3 H 18 4.089 3.899 0.190 1
1 104 . 15 1 1 A 19 19 ARG H H 19 7.569 7.866 -0.297 1
1 105 . 15 1 1 A 19 19 ARG HA H 19 4.293 4.456 -0.163 1
1 110 . 15 1 1 A 20 20 THR H H 20 8.200 8.165 0.035 1
1 111 . 15 1 1 A 20 20 THR HA H 20 4.731 5.188 -0.457 1
1 116 . 15 1 1 A 21 21 TYR H H 21 8.819 8.614 0.205 1
1 117 . 15 1 1 A 21 21 TYR HA H 21 4.529 4.967 -0.438 1
1 124 . 15 1 1 A 22 22 ALA H H 22 8.780 8.861 -0.081 1
1 125 . 15 1 1 A 22 22 ALA HA H 22 3.901 4.229 -0.328 1
1 129 . 15 1 1 A 23 23 ASN H H 23 7.241 7.737 -0.496 1
1 130 . 15 1 1 A 23 23 ASN HA H 23 4.828 5.273 -0.445 1
1 135 . 15 1 1 A 24 24 SER H H 24 9.195 8.733 0.462 1
1 136 . 15 1 1 A 24 24 SER HA H 24 3.949 4.106 -0.157 1
1 139 . 15 1 1 A 25 25 CYS H H 25 8.059 8.079 -0.020 1
1 140 . 15 1 1 A 25 25 CYS HA H 25 4.206 4.101 0.105 1
1 143 . 15 1 1 A 26 26 ILE H H 26 8.204 8.037 0.167 1
1 144 . 15 1 1 A 26 26 ILE HA H 26 3.619 3.899 -0.280 1
1 151 . 15 1 1 A 27 27 ALA H H 27 7.502 7.993 -0.491 1
1 152 . 15 1 1 A 27 27 ALA HA H 27 2.983 2.900 0.083 1
1 156 . 15 1 1 A 28 28 ARG H H 28 7.845 8.107 -0.262 1
1 157 . 15 1 1 A 28 28 ARG HA H 28 4.004 4.247 -0.243 1
1 161 . 15 1 1 A 29 29 CYS H H 29 8.403 7.571 0.832 1
1 162 . 15 1 1 A 29 29 CYS HA H 29 4.193 4.056 0.137 1
1 165 . 15 1 1 A 30 30 ASN H H 30 7.523 7.509 0.014 1
1 166 . 15 1 1 A 30 30 ASN HA H 30 4.576 4.668 -0.092 1
1 169 . 15 1 1 A 31 31 GLY H H 31 7.905 7.979 -0.074 1
1 170 . 15 1 1 A 31 31 GLY HA2 H 31 3.774 3.910 -0.136 1
1 171 . 15 1 1 A 31 31 GLY HA3 H 31 3.938 3.918 0.020 1
1 172 . 15 1 1 A 32 32 VAL H H 32 7.497 7.682 -0.185 1
1 173 . 15 1 1 A 32 32 VAL HA H 32 4.149 4.207 -0.058 1
1 181 . 15 1 1 A 33 33 SER H H 33 8.127 8.582 -0.455 1
1 182 . 15 1 1 A 33 33 SER HA H 33 4.407 4.698 -0.291 1
1 184 . 15 1 1 A 34 34 ILE H H 34 8.281 8.371 -0.090 1
1 185 . 15 1 1 A 34 34 ILE HA H 34 4.180 4.246 -0.066 1
1 195 . 15 1 1 A 35 35 LYS H H 35 8.557 9.225 -0.668 1
1 196 . 15 1 1 A 35 35 LYS HA H 35 4.236 4.232 0.004 1
1 202 . 15 1 1 A 36 36 SER H H 36 8.279 7.588 0.691 1
1 203 . 15 1 1 A 36 36 SER HA H 36 4.388 4.858 -0.470 1
1 206 . 15 1 1 A 37 37 GLU H H 37 8.398 8.595 -0.197 1
1 207 . 15 1 1 A 37 37 GLU HA H 37 4.387 4.435 -0.048 1
1 211 . 15 1 1 A 38 38 GLY H H 38 8.348 8.415 -0.067 1
1 212 . 15 1 1 A 38 38 GLY HA3 H 38 3.915 4.082 -0.167 1
1 213 . 15 1 1 A 39 39 SER H H 39 8.158 8.528 -0.370 1
1 214 . 15 1 1 A 39 39 SER HA H 39 4.398 4.321 0.077 1
1 217 . 15 1 1 A 40 40 CYS H H 40 8.338 8.026 0.312 1
1 218 . 15 1 1 A 40 40 CYS HA H 40 4.743 4.764 -0.021 1
1 221 . 15 1 1 A 41 41 PRO HA H 41 4.431 4.676 -0.245 1
1 228 . 15 1 1 A 42 42 THR H H 42 8.103 8.552 -0.449 1
1 229 . 15 1 1 A 42 42 THR HA H 42 4.268 4.475 -0.207 1
1 234 . 15 1 1 A 43 43 GLY H H 43 8.225 7.730 0.495 1
1 235 . 15 1 1 A 43 43 GLY HA3 H 43 3.924 3.944 -0.020 1
1 2 . 16 1 1 A 2 2 LYS H H 2 8.640 7.668 0.972 1
1 3 . 16 1 1 A 2 2 LYS HA H 2 4.327 4.917 -0.590 1
1 10 . 16 1 1 A 3 3 VAL H H 3 8.362 8.692 -0.330 1
1 11 . 16 1 1 A 3 3 VAL HA H 3 4.034 4.103 -0.069 1
1 19 . 16 1 1 A 4 4 CYS H H 4 8.592 8.671 -0.079 1
1 20 . 16 1 1 A 4 4 CYS HA H 4 4.612 4.529 0.083 1
1 23 . 16 1 1 A 5 5 ALA H H 5 8.651 8.587 0.064 1
1 24 . 16 1 1 A 5 5 ALA HA H 5 4.498 4.640 -0.142 1
1 28 . 16 1 1 A 6 6 CYS H H 6 7.904 8.296 -0.392 1
1 29 . 16 1 1 A 6 6 CYS HA H 6 5.269 4.640 0.629 1
1 32 . 16 1 1 A 7 7 PRO HA H 7 4.461 4.744 -0.283 1
1 39 . 16 1 1 A 8 8 LYS H H 8 8.610 8.058 0.552 1
1 40 . 16 1 1 A 8 8 LYS HA H 8 4.204 4.559 -0.355 1
1 45 . 16 1 1 A 9 9 ILE H H 9 7.006 7.357 -0.351 1
1 46 . 16 1 1 A 9 9 ILE HA H 9 4.065 4.183 -0.118 1
1 53 . 16 1 1 A 10 10 LEU H H 10 8.588 8.590 -0.002 1
1 54 . 16 1 1 A 10 10 LEU HA H 10 4.585 4.680 -0.095 1
1 64 . 16 1 1 A 11 11 LYS H H 11 8.678 8.357 0.321 1
1 65 . 16 1 1 A 11 11 LYS HA H 11 4.520 4.925 -0.405 1
1 70 . 16 1 1 A 12 12 PRO HA H 12 4.542 4.733 -0.191 1
1 77 . 16 1 1 A 13 13 VAL H H 13 8.317 7.936 0.381 1
1 78 . 16 1 1 A 13 13 VAL HA H 13 4.562 4.776 -0.214 1
1 86 . 16 1 1 A 14 14 CYS H H 14 8.676 9.022 -0.346 1
1 87 . 16 1 1 A 14 14 CYS HA H 14 4.875 5.241 -0.366 1
1 90 . 16 1 1 A 15 15 GLY H H 15 9.310 9.119 0.191 1
1 91 . 16 1 1 A 15 15 GLY HA2 H 15 4.631 4.172 0.459 1
1 92 . 16 1 1 A 15 15 GLY HA3 H 15 3.937 4.252 -0.315 1
1 93 . 16 1 1 A 16 16 SER H H 16 8.791 9.040 -0.249 1
1 94 . 16 1 1 A 16 16 SER HA H 16 4.116 4.147 -0.031 1
1 97 . 16 1 1 A 17 17 ASP H H 17 8.216 7.904 0.312 1
1 98 . 16 1 1 A 17 17 ASP HA H 17 4.526 4.520 0.006 1
1 101 . 16 1 1 A 18 18 GLY H H 18 8.209 8.216 -0.007 1
1 102 . 16 1 1 A 18 18 GLY HA2 H 18 3.608 3.910 -0.302 1
1 103 . 16 1 1 A 18 18 GLY HA3 H 18 4.089 3.918 0.171 1
1 104 . 16 1 1 A 19 19 ARG H H 19 7.569 7.790 -0.221 1
1 105 . 16 1 1 A 19 19 ARG HA H 19 4.293 4.424 -0.131 1
1 110 . 16 1 1 A 20 20 THR H H 20 8.200 8.352 -0.152 1
1 111 . 16 1 1 A 20 20 THR HA H 20 4.731 5.251 -0.520 1
1 116 . 16 1 1 A 21 21 TYR H H 21 8.819 8.496 0.323 1
1 117 . 16 1 1 A 21 21 TYR HA H 21 4.529 4.948 -0.419 1
1 124 . 16 1 1 A 22 22 ALA H H 22 8.780 8.712 0.068 1
1 125 . 16 1 1 A 22 22 ALA HA H 22 3.901 4.229 -0.328 1
1 129 . 16 1 1 A 23 23 ASN H H 23 7.241 7.726 -0.485 1
1 130 . 16 1 1 A 23 23 ASN HA H 23 4.828 5.272 -0.444 1
1 135 . 16 1 1 A 24 24 SER H H 24 9.195 8.727 0.468 1
1 136 . 16 1 1 A 24 24 SER HA H 24 3.949 4.120 -0.171 1
1 139 . 16 1 1 A 25 25 CYS H H 25 8.059 8.078 -0.019 1
1 140 . 16 1 1 A 25 25 CYS HA H 25 4.206 4.062 0.144 1
1 143 . 16 1 1 A 26 26 ILE H H 26 8.204 8.182 0.022 1
1 144 . 16 1 1 A 26 26 ILE HA H 26 3.619 3.850 -0.231 1
1 151 . 16 1 1 A 27 27 ALA H H 27 7.502 7.908 -0.406 1
1 152 . 16 1 1 A 27 27 ALA HA H 27 2.983 3.056 -0.073 1
1 156 . 16 1 1 A 28 28 ARG H H 28 7.845 8.062 -0.217 1
1 157 . 16 1 1 A 28 28 ARG HA H 28 4.004 4.137 -0.133 1
1 161 . 16 1 1 A 29 29 CYS H H 29 8.403 7.583 0.820 1
1 162 . 16 1 1 A 29 29 CYS HA H 29 4.193 4.117 0.076 1
1 165 . 16 1 1 A 30 30 ASN H H 30 7.523 7.604 -0.081 1
1 166 . 16 1 1 A 30 30 ASN HA H 30 4.576 4.668 -0.092 1
1 169 . 16 1 1 A 31 31 GLY H H 31 7.905 8.073 -0.168 1
1 170 . 16 1 1 A 31 31 GLY HA2 H 31 3.774 3.946 -0.172 1
1 171 . 16 1 1 A 31 31 GLY HA3 H 31 3.938 3.954 -0.016 1
1 172 . 16 1 1 A 32 32 VAL H H 32 7.497 7.642 -0.145 1
1 173 . 16 1 1 A 32 32 VAL HA H 32 4.149 4.178 -0.029 1
1 181 . 16 1 1 A 33 33 SER H H 33 8.127 8.617 -0.490 1
1 182 . 16 1 1 A 33 33 SER HA H 33 4.407 4.437 -0.030 1
1 184 . 16 1 1 A 34 34 ILE H H 34 8.281 8.790 -0.509 1
1 185 . 16 1 1 A 34 34 ILE HA H 34 4.180 4.384 -0.204 1
1 195 . 16 1 1 A 35 35 LYS H H 35 8.557 8.912 -0.355 1
1 196 . 16 1 1 A 35 35 LYS HA H 35 4.236 4.131 0.105 1
1 202 . 16 1 1 A 36 36 SER H H 36 8.279 7.660 0.619 1
1 203 . 16 1 1 A 36 36 SER HA H 36 4.388 4.680 -0.292 1
1 206 . 16 1 1 A 37 37 GLU H H 37 8.398 8.667 -0.269 1
1 207 . 16 1 1 A 37 37 GLU HA H 37 4.387 4.319 0.068 1
1 211 . 16 1 1 A 38 38 GLY H H 38 8.348 8.229 0.119 1
1 212 . 16 1 1 A 38 38 GLY HA3 H 38 3.915 4.087 -0.172 1
1 213 . 16 1 1 A 39 39 SER H H 39 8.158 8.521 -0.363 1
1 214 . 16 1 1 A 39 39 SER HA H 39 4.398 4.364 0.034 1
1 217 . 16 1 1 A 40 40 CYS H H 40 8.338 8.016 0.322 1
1 218 . 16 1 1 A 40 40 CYS HA H 40 4.743 4.756 -0.013 1
1 221 . 16 1 1 A 41 41 PRO HA H 41 4.431 4.630 -0.199 1
1 228 . 16 1 1 A 42 42 THR H H 42 8.103 8.600 -0.497 1
1 229 . 16 1 1 A 42 42 THR HA H 42 4.268 4.561 -0.293 1
1 234 . 16 1 1 A 43 43 GLY H H 43 8.225 8.293 -0.068 1
1 235 . 16 1 1 A 43 43 GLY HA3 H 43 3.924 3.912 0.012 1
1 2 . 17 1 1 A 2 2 LYS H H 2 8.640 8.719 -0.079 1
1 3 . 17 1 1 A 2 2 LYS HA H 2 4.327 4.480 -0.153 1
1 10 . 17 1 1 A 3 3 VAL H H 3 8.362 7.595 0.767 1
1 11 . 17 1 1 A 3 3 VAL HA H 3 4.034 3.986 0.048 1
1 19 . 17 1 1 A 4 4 CYS H H 4 8.592 7.606 0.986 1
1 20 . 17 1 1 A 4 4 CYS HA H 4 4.612 4.491 0.121 1
1 23 . 17 1 1 A 5 5 ALA H H 5 8.651 8.639 0.012 1
1 24 . 17 1 1 A 5 5 ALA HA H 5 4.498 3.754 0.744 1
1 28 . 17 1 1 A 6 6 CYS H H 6 7.904 7.687 0.217 1
1 29 . 17 1 1 A 6 6 CYS HA H 6 5.269 4.500 0.769 1
1 32 . 17 1 1 A 7 7 PRO HA H 7 4.461 4.697 -0.236 1
1 39 . 17 1 1 A 8 8 LYS H H 8 8.610 8.251 0.359 1
1 40 . 17 1 1 A 8 8 LYS HA H 8 4.204 4.137 0.067 1
1 45 . 17 1 1 A 9 9 ILE H H 9 7.006 7.352 -0.346 1
1 46 . 17 1 1 A 9 9 ILE HA H 9 4.065 3.968 0.097 1
1 53 . 17 1 1 A 10 10 LEU H H 10 8.588 8.527 0.061 1
1 54 . 17 1 1 A 10 10 LEU HA H 10 4.585 4.489 0.096 1
1 64 . 17 1 1 A 11 11 LYS H H 11 8.678 7.931 0.747 1
1 65 . 17 1 1 A 11 11 LYS HA H 11 4.520 4.891 -0.371 1
1 70 . 17 1 1 A 12 12 PRO HA H 12 4.542 4.712 -0.170 1
1 77 . 17 1 1 A 13 13 VAL H H 13 8.317 7.966 0.351 1
1 78 . 17 1 1 A 13 13 VAL HA H 13 4.562 4.820 -0.258 1
1 86 . 17 1 1 A 14 14 CYS H H 14 8.676 8.732 -0.056 1
1 87 . 17 1 1 A 14 14 CYS HA H 14 4.875 5.082 -0.207 1
1 90 . 17 1 1 A 15 15 GLY H H 15 9.310 9.220 0.090 1
1 91 . 17 1 1 A 15 15 GLY HA2 H 15 4.631 4.202 0.429 1
1 92 . 17 1 1 A 15 15 GLY HA3 H 15 3.937 4.336 -0.399 1
1 93 . 17 1 1 A 16 16 SER H H 16 8.791 8.920 -0.129 1
1 94 . 17 1 1 A 16 16 SER HA H 16 4.116 4.215 -0.099 1
1 97 . 17 1 1 A 17 17 ASP H H 17 8.216 8.043 0.173 1
1 98 . 17 1 1 A 17 17 ASP HA H 17 4.526 4.659 -0.133 1
1 101 . 17 1 1 A 18 18 GLY H H 18 8.209 8.656 -0.447 1
1 102 . 17 1 1 A 18 18 GLY HA2 H 18 3.608 3.815 -0.207 1
1 103 . 17 1 1 A 18 18 GLY HA3 H 18 4.089 3.816 0.273 1
1 104 . 17 1 1 A 19 19 ARG H H 19 7.569 7.647 -0.078 1
1 105 . 17 1 1 A 19 19 ARG HA H 19 4.293 4.666 -0.373 1
1 110 . 17 1 1 A 20 20 THR H H 20 8.200 8.108 0.092 1
1 111 . 17 1 1 A 20 20 THR HA H 20 4.731 5.087 -0.356 1
1 116 . 17 1 1 A 21 21 TYR H H 21 8.819 8.497 0.322 1
1 117 . 17 1 1 A 21 21 TYR HA H 21 4.529 4.933 -0.404 1
1 124 . 17 1 1 A 22 22 ALA H H 22 8.780 8.869 -0.089 1
1 125 . 17 1 1 A 22 22 ALA HA H 22 3.901 4.240 -0.339 1
1 129 . 17 1 1 A 23 23 ASN H H 23 7.241 7.782 -0.541 1
1 130 . 17 1 1 A 23 23 ASN HA H 23 4.828 5.250 -0.422 1
1 135 . 17 1 1 A 24 24 SER H H 24 9.195 8.775 0.420 1
1 136 . 17 1 1 A 24 24 SER HA H 24 3.949 4.108 -0.159 1
1 139 . 17 1 1 A 25 25 CYS H H 25 8.059 8.124 -0.065 1
1 140 . 17 1 1 A 25 25 CYS HA H 25 4.206 4.035 0.171 1
1 143 . 17 1 1 A 26 26 ILE H H 26 8.204 8.306 -0.102 1
1 144 . 17 1 1 A 26 26 ILE HA H 26 3.619 3.804 -0.185 1
1 151 . 17 1 1 A 27 27 ALA H H 27 7.502 7.787 -0.285 1
1 152 . 17 1 1 A 27 27 ALA HA H 27 2.983 3.553 -0.570 1
1 156 . 17 1 1 A 28 28 ARG H H 28 7.845 7.724 0.121 1
1 157 . 17 1 1 A 28 28 ARG HA H 28 4.004 4.704 -0.700 1
1 161 . 17 1 1 A 29 29 CYS H H 29 8.403 8.181 0.222 1
1 162 . 17 1 1 A 29 29 CYS HA H 29 4.193 4.072 0.121 1
1 165 . 17 1 1 A 30 30 ASN H H 30 7.523 7.306 0.217 1
1 166 . 17 1 1 A 30 30 ASN HA H 30 4.576 4.554 0.022 1
1 169 . 17 1 1 A 31 31 GLY H H 31 7.905 8.140 -0.235 1
1 170 . 17 1 1 A 31 31 GLY HA2 H 31 3.774 3.901 -0.127 1
1 171 . 17 1 1 A 31 31 GLY HA3 H 31 3.938 3.905 0.033 1
1 172 . 17 1 1 A 32 32 VAL H H 32 7.497 7.452 0.045 1
1 173 . 17 1 1 A 32 32 VAL HA H 32 4.149 4.504 -0.355 1
1 181 . 17 1 1 A 33 33 SER H H 33 8.127 8.719 -0.592 1
1 182 . 17 1 1 A 33 33 SER HA H 33 4.407 5.282 -0.875 1
1 184 . 17 1 1 A 34 34 ILE H H 34 8.281 8.344 -0.063 1
1 185 . 17 1 1 A 34 34 ILE HA H 34 4.180 4.215 -0.035 1
1 195 . 17 1 1 A 35 35 LYS H H 35 8.557 9.197 -0.640 1
1 196 . 17 1 1 A 35 35 LYS HA H 35 4.236 4.233 0.003 1
1 202 . 17 1 1 A 36 36 SER H H 36 8.279 7.527 0.752 1
1 203 . 17 1 1 A 36 36 SER HA H 36 4.388 4.766 -0.378 1
1 206 . 17 1 1 A 37 37 GLU H H 37 8.398 8.613 -0.215 1
1 207 . 17 1 1 A 37 37 GLU HA H 37 4.387 4.359 0.028 1
1 211 . 17 1 1 A 38 38 GLY H H 38 8.348 8.364 -0.016 1
1 212 . 17 1 1 A 38 38 GLY HA3 H 38 3.915 4.082 -0.167 1
1 213 . 17 1 1 A 39 39 SER H H 39 8.158 8.306 -0.148 1
1 214 . 17 1 1 A 39 39 SER HA H 39 4.398 4.384 0.014 1
1 217 . 17 1 1 A 40 40 CYS H H 40 8.338 8.095 0.243 1
1 218 . 17 1 1 A 40 40 CYS HA H 40 4.743 4.978 -0.235 1
1 221 . 17 1 1 A 41 41 PRO HA H 41 4.431 4.720 -0.289 1
1 228 . 17 1 1 A 42 42 THR H H 42 8.103 8.478 -0.375 1
1 229 . 17 1 1 A 42 42 THR HA H 42 4.268 4.917 -0.649 1
1 234 . 17 1 1 A 43 43 GLY H H 43 8.225 8.322 -0.097 1
1 235 . 17 1 1 A 43 43 GLY HA3 H 43 3.924 4.109 -0.185 1
1 2 . 18 1 1 A 2 2 LYS H H 2 8.640 8.905 -0.265 1
1 3 . 18 1 1 A 2 2 LYS HA H 2 4.327 4.604 -0.277 1
1 10 . 18 1 1 A 3 3 VAL H H 3 8.362 7.465 0.897 1
1 11 . 18 1 1 A 3 3 VAL HA H 3 4.034 4.450 -0.416 1
1 19 . 18 1 1 A 4 4 CYS H H 4 8.592 8.729 -0.137 1
1 20 . 18 1 1 A 4 4 CYS HA H 4 4.612 4.559 0.053 1
1 23 . 18 1 1 A 5 5 ALA H H 5 8.651 8.621 0.030 1
1 24 . 18 1 1 A 5 5 ALA HA H 5 4.498 4.055 0.443 1
1 28 . 18 1 1 A 6 6 CYS H H 6 7.904 7.872 0.032 1
1 29 . 18 1 1 A 6 6 CYS HA H 6 5.269 4.666 0.603 1
1 32 . 18 1 1 A 7 7 PRO HA H 7 4.461 4.749 -0.288 1
1 39 . 18 1 1 A 8 8 LYS H H 8 8.610 8.501 0.109 1
1 40 . 18 1 1 A 8 8 LYS HA H 8 4.204 4.534 -0.330 1
1 45 . 18 1 1 A 9 9 ILE H H 9 7.006 7.307 -0.301 1
1 46 . 18 1 1 A 9 9 ILE HA H 9 4.065 4.168 -0.103 1
1 53 . 18 1 1 A 10 10 LEU H H 10 8.588 8.551 0.037 1
1 54 . 18 1 1 A 10 10 LEU HA H 10 4.585 4.537 0.048 1
1 64 . 18 1 1 A 11 11 LYS H H 11 8.678 8.388 0.290 1
1 65 . 18 1 1 A 11 11 LYS HA H 11 4.520 4.883 -0.363 1
1 70 . 18 1 1 A 12 12 PRO HA H 12 4.542 4.786 -0.244 1
1 77 . 18 1 1 A 13 13 VAL H H 13 8.317 8.009 0.308 1
1 78 . 18 1 1 A 13 13 VAL HA H 13 4.562 4.911 -0.349 1
1 86 . 18 1 1 A 14 14 CYS H H 14 8.676 8.916 -0.240 1
1 87 . 18 1 1 A 14 14 CYS HA H 14 4.875 5.276 -0.401 1
1 90 . 18 1 1 A 15 15 GLY H H 15 9.310 8.933 0.377 1
1 91 . 18 1 1 A 15 15 GLY HA2 H 15 4.631 4.165 0.466 1
1 92 . 18 1 1 A 15 15 GLY HA3 H 15 3.937 4.229 -0.292 1
1 93 . 18 1 1 A 16 16 SER H H 16 8.791 9.323 -0.532 1
1 94 . 18 1 1 A 16 16 SER HA H 16 4.116 4.222 -0.106 1
1 97 . 18 1 1 A 17 17 ASP H H 17 8.216 7.926 0.290 1
1 98 . 18 1 1 A 17 17 ASP HA H 17 4.526 4.555 -0.029 1
1 101 . 18 1 1 A 18 18 GLY H H 18 8.209 8.180 0.029 1
1 102 . 18 1 1 A 18 18 GLY HA2 H 18 3.608 3.894 -0.286 1
1 103 . 18 1 1 A 18 18 GLY HA3 H 18 4.089 3.896 0.193 1
1 104 . 18 1 1 A 19 19 ARG H H 19 7.569 7.664 -0.095 1
1 105 . 18 1 1 A 19 19 ARG HA H 19 4.293 4.588 -0.295 1
1 110 . 18 1 1 A 20 20 THR H H 20 8.200 8.255 -0.055 1
1 111 . 18 1 1 A 20 20 THR HA H 20 4.731 5.142 -0.411 1
1 116 . 18 1 1 A 21 21 TYR H H 21 8.819 8.827 -0.008 1
1 117 . 18 1 1 A 21 21 TYR HA H 21 4.529 4.900 -0.371 1
1 124 . 18 1 1 A 22 22 ALA H H 22 8.780 8.702 0.078 1
1 125 . 18 1 1 A 22 22 ALA HA H 22 3.901 4.193 -0.292 1
1 129 . 18 1 1 A 23 23 ASN H H 23 7.241 7.696 -0.455 1
1 130 . 18 1 1 A 23 23 ASN HA H 23 4.828 5.295 -0.467 1
1 135 . 18 1 1 A 24 24 SER H H 24 9.195 8.978 0.217 1
1 136 . 18 1 1 A 24 24 SER HA H 24 3.949 4.110 -0.161 1
1 139 . 18 1 1 A 25 25 CYS H H 25 8.059 8.107 -0.048 1
1 140 . 18 1 1 A 25 25 CYS HA H 25 4.206 4.029 0.177 1
1 143 . 18 1 1 A 26 26 ILE H H 26 8.204 8.093 0.111 1
1 144 . 18 1 1 A 26 26 ILE HA H 26 3.619 3.545 0.074 1
1 151 . 18 1 1 A 27 27 ALA H H 27 7.502 8.109 -0.607 1
1 152 . 18 1 1 A 27 27 ALA HA H 27 2.983 3.288 -0.305 1
1 156 . 18 1 1 A 28 28 ARG H H 28 7.845 8.034 -0.189 1
1 157 . 18 1 1 A 28 28 ARG HA H 28 4.004 3.994 0.010 1
1 161 . 18 1 1 A 29 29 CYS H H 29 8.403 7.680 0.723 1
1 162 . 18 1 1 A 29 29 CYS HA H 29 4.193 4.127 0.066 1
1 165 . 18 1 1 A 30 30 ASN H H 30 7.523 7.945 -0.422 1
1 166 . 18 1 1 A 30 30 ASN HA H 30 4.576 4.582 -0.006 1
1 169 . 18 1 1 A 31 31 GLY H H 31 7.905 8.030 -0.125 1
1 170 . 18 1 1 A 31 31 GLY HA2 H 31 3.774 3.908 -0.134 1
1 171 . 18 1 1 A 31 31 GLY HA3 H 31 3.938 3.914 0.024 1
1 172 . 18 1 1 A 32 32 VAL H H 32 7.497 7.263 0.234 1
1 173 . 18 1 1 A 32 32 VAL HA H 32 4.149 4.674 -0.525 1
1 181 . 18 1 1 A 33 33 SER H H 33 8.127 8.908 -0.781 1
1 182 . 18 1 1 A 33 33 SER HA H 33 4.407 4.631 -0.224 1
1 184 . 18 1 1 A 34 34 ILE H H 34 8.281 8.466 -0.185 1
1 185 . 18 1 1 A 34 34 ILE HA H 34 4.180 4.308 -0.128 1
1 195 . 18 1 1 A 35 35 LYS H H 35 8.557 9.153 -0.596 1
1 196 . 18 1 1 A 35 35 LYS HA H 35 4.236 4.229 0.007 1
1 202 . 18 1 1 A 36 36 SER H H 36 8.279 7.669 0.610 1
1 203 . 18 1 1 A 36 36 SER HA H 36 4.388 4.946 -0.558 1
1 206 . 18 1 1 A 37 37 GLU H H 37 8.398 8.635 -0.237 1
1 207 . 18 1 1 A 37 37 GLU HA H 37 4.387 4.168 0.219 1
1 211 . 18 1 1 A 38 38 GLY H H 38 8.348 8.125 0.223 1
1 212 . 18 1 1 A 38 38 GLY HA3 H 38 3.915 4.080 -0.165 1
1 213 . 18 1 1 A 39 39 SER H H 39 8.158 8.344 -0.186 1
1 214 . 18 1 1 A 39 39 SER HA H 39 4.398 4.351 0.047 1
1 217 . 18 1 1 A 40 40 CYS H H 40 8.338 8.592 -0.254 1
1 218 . 18 1 1 A 40 40 CYS HA H 40 4.743 5.083 -0.340 1
1 221 . 18 1 1 A 41 41 PRO HA H 41 4.431 4.682 -0.251 1
1 228 . 18 1 1 A 42 42 THR H H 42 8.103 8.349 -0.246 1
1 229 . 18 1 1 A 42 42 THR HA H 42 4.268 4.375 -0.107 1
1 234 . 18 1 1 A 43 43 GLY H H 43 8.225 8.095 0.130 1
1 235 . 18 1 1 A 43 43 GLY HA3 H 43 3.924 3.931 -0.007 1
1 2 . 19 1 1 A 2 2 LYS H H 2 8.640 8.738 -0.098 1
1 3 . 19 1 1 A 2 2 LYS HA H 2 4.327 4.907 -0.580 1
1 10 . 19 1 1 A 3 3 VAL H H 3 8.362 8.631 -0.269 1
1 11 . 19 1 1 A 3 3 VAL HA H 3 4.034 4.273 -0.239 1
1 19 . 19 1 1 A 4 4 CYS H H 4 8.592 8.487 0.105 1
1 20 . 19 1 1 A 4 4 CYS HA H 4 4.612 4.309 0.303 1
1 23 . 19 1 1 A 5 5 ALA H H 5 8.651 7.620 1.031 1
1 24 . 19 1 1 A 5 5 ALA HA H 5 4.498 4.567 -0.069 1
1 28 . 19 1 1 A 6 6 CYS H H 6 7.904 8.562 -0.658 1
1 29 . 19 1 1 A 6 6 CYS HA H 6 5.269 4.711 0.558 1
1 32 . 19 1 1 A 7 7 PRO HA H 7 4.461 4.739 -0.278 1
1 39 . 19 1 1 A 8 8 LYS H H 8 8.610 8.487 0.123 1
1 40 . 19 1 1 A 8 8 LYS HA H 8 4.204 4.466 -0.262 1
1 45 . 19 1 1 A 9 9 ILE H H 9 7.006 7.366 -0.360 1
1 46 . 19 1 1 A 9 9 ILE HA H 9 4.065 4.163 -0.098 1
1 53 . 19 1 1 A 10 10 LEU H H 10 8.588 8.615 -0.027 1
1 54 . 19 1 1 A 10 10 LEU HA H 10 4.585 4.781 -0.196 1
1 64 . 19 1 1 A 11 11 LYS H H 11 8.678 8.597 0.081 1
1 65 . 19 1 1 A 11 11 LYS HA H 11 4.520 4.876 -0.356 1
1 70 . 19 1 1 A 12 12 PRO HA H 12 4.542 4.898 -0.356 1
1 77 . 19 1 1 A 13 13 VAL H H 13 8.317 8.295 0.022 1
1 78 . 19 1 1 A 13 13 VAL HA H 13 4.562 4.756 -0.194 1
1 86 . 19 1 1 A 14 14 CYS H H 14 8.676 8.729 -0.053 1
1 87 . 19 1 1 A 14 14 CYS HA H 14 4.875 5.111 -0.236 1
1 90 . 19 1 1 A 15 15 GLY H H 15 9.310 9.112 0.198 1
1 91 . 19 1 1 A 15 15 GLY HA2 H 15 4.631 4.206 0.425 1
1 92 . 19 1 1 A 15 15 GLY HA3 H 15 3.937 4.328 -0.391 1
1 93 . 19 1 1 A 16 16 SER H H 16 8.791 9.085 -0.294 1
1 94 . 19 1 1 A 16 16 SER HA H 16 4.116 4.261 -0.145 1
1 97 . 19 1 1 A 17 17 ASP H H 17 8.216 7.858 0.358 1
1 98 . 19 1 1 A 17 17 ASP HA H 17 4.526 4.686 -0.160 1
1 101 . 19 1 1 A 18 18 GLY H H 18 8.209 8.269 -0.060 1
1 102 . 19 1 1 A 18 18 GLY HA2 H 18 3.608 3.920 -0.312 1
1 103 . 19 1 1 A 18 18 GLY HA3 H 18 4.089 3.924 0.165 1
1 104 . 19 1 1 A 19 19 ARG H H 19 7.569 7.916 -0.347 1
1 105 . 19 1 1 A 19 19 ARG HA H 19 4.293 4.346 -0.053 1
1 110 . 19 1 1 A 20 20 THR H H 20 8.200 8.145 0.055 1
1 111 . 19 1 1 A 20 20 THR HA H 20 4.731 5.211 -0.480 1
1 116 . 19 1 1 A 21 21 TYR H H 21 8.819 8.658 0.161 1
1 117 . 19 1 1 A 21 21 TYR HA H 21 4.529 4.923 -0.394 1
1 124 . 19 1 1 A 22 22 ALA H H 22 8.780 8.850 -0.070 1
1 125 . 19 1 1 A 22 22 ALA HA H 22 3.901 4.234 -0.333 1
1 129 . 19 1 1 A 23 23 ASN H H 23 7.241 7.703 -0.462 1
1 130 . 19 1 1 A 23 23 ASN HA H 23 4.828 5.206 -0.378 1
1 135 . 19 1 1 A 24 24 SER H H 24 9.195 8.734 0.461 1
1 136 . 19 1 1 A 24 24 SER HA H 24 3.949 4.124 -0.175 1
1 139 . 19 1 1 A 25 25 CYS H H 25 8.059 8.123 -0.064 1
1 140 . 19 1 1 A 25 25 CYS HA H 25 4.206 4.045 0.161 1
1 143 . 19 1 1 A 26 26 ILE H H 26 8.204 8.117 0.087 1
1 144 . 19 1 1 A 26 26 ILE HA H 26 3.619 3.817 -0.198 1
1 151 . 19 1 1 A 27 27 ALA H H 27 7.502 8.121 -0.619 1
1 152 . 19 1 1 A 27 27 ALA HA H 27 2.983 3.088 -0.105 1
1 156 . 19 1 1 A 28 28 ARG H H 28 7.845 7.947 -0.102 1
1 157 . 19 1 1 A 28 28 ARG HA H 28 4.004 4.117 -0.113 1
1 161 . 19 1 1 A 29 29 CYS H H 29 8.403 8.113 0.290 1
1 162 . 19 1 1 A 29 29 CYS HA H 29 4.193 4.214 -0.021 1
1 165 . 19 1 1 A 30 30 ASN H H 30 7.523 7.662 -0.139 1
1 166 . 19 1 1 A 30 30 ASN HA H 30 4.576 4.705 -0.129 1
1 169 . 19 1 1 A 31 31 GLY H H 31 7.905 7.677 0.228 1
1 170 . 19 1 1 A 31 31 GLY HA2 H 31 3.774 3.996 -0.222 1
1 171 . 19 1 1 A 31 31 GLY HA3 H 31 3.938 4.007 -0.069 1
1 172 . 19 1 1 A 32 32 VAL H H 32 7.497 7.288 0.209 1
1 173 . 19 1 1 A 32 32 VAL HA H 32 4.149 4.669 -0.520 1
1 181 . 19 1 1 A 33 33 SER H H 33 8.127 8.889 -0.762 1
1 182 . 19 1 1 A 33 33 SER HA H 33 4.407 4.816 -0.409 1
1 184 . 19 1 1 A 34 34 ILE H H 34 8.281 8.403 -0.122 1
1 185 . 19 1 1 A 34 34 ILE HA H 34 4.180 4.076 0.104 1
1 195 . 19 1 1 A 35 35 LYS H H 35 8.557 9.029 -0.472 1
1 196 . 19 1 1 A 35 35 LYS HA H 35 4.236 4.225 0.011 1
1 202 . 19 1 1 A 36 36 SER H H 36 8.279 7.861 0.418 1
1 203 . 19 1 1 A 36 36 SER HA H 36 4.388 5.066 -0.678 1
1 206 . 19 1 1 A 37 37 GLU H H 37 8.398 8.565 -0.167 1
1 207 . 19 1 1 A 37 37 GLU HA H 37 4.387 4.523 -0.136 1
1 211 . 19 1 1 A 38 38 GLY H H 38 8.348 8.274 0.074 1
1 212 . 19 1 1 A 38 38 GLY HA3 H 38 3.915 4.089 -0.174 1
1 213 . 19 1 1 A 39 39 SER H H 39 8.158 8.529 -0.371 1
1 214 . 19 1 1 A 39 39 SER HA H 39 4.398 4.339 0.059 1
1 217 . 19 1 1 A 40 40 CYS H H 40 8.338 7.992 0.346 1
1 218 . 19 1 1 A 40 40 CYS HA H 40 4.743 4.794 -0.051 1
1 221 . 19 1 1 A 41 41 PRO HA H 41 4.431 4.595 -0.164 1
1 228 . 19 1 1 A 42 42 THR H H 42 8.103 8.334 -0.231 1
1 229 . 19 1 1 A 42 42 THR HA H 42 4.268 4.174 0.094 1
1 234 . 19 1 1 A 43 43 GLY H H 43 8.225 8.393 -0.168 1
1 235 . 19 1 1 A 43 43 GLY HA3 H 43 3.924 3.700 0.224 1
1 2 . 20 1 1 A 2 2 LYS H H 2 8.640 8.140 0.500 1
1 3 . 20 1 1 A 2 2 LYS HA H 2 4.327 4.627 -0.300 1
1 10 . 20 1 1 A 3 3 VAL H H 3 8.362 7.814 0.548 1
1 11 . 20 1 1 A 3 3 VAL HA H 3 4.034 3.656 0.378 1
1 19 . 20 1 1 A 4 4 CYS H H 4 8.592 7.612 0.980 1
1 20 . 20 1 1 A 4 4 CYS HA H 4 4.612 4.438 0.174 1
1 23 . 20 1 1 A 5 5 ALA H H 5 8.651 8.559 0.092 1
1 24 . 20 1 1 A 5 5 ALA HA H 5 4.498 4.848 -0.350 1
1 28 . 20 1 1 A 6 6 CYS H H 6 7.904 8.471 -0.567 1
1 29 . 20 1 1 A 6 6 CYS HA H 6 5.269 4.631 0.638 1
1 32 . 20 1 1 A 7 7 PRO HA H 7 4.461 4.805 -0.344 1
1 39 . 20 1 1 A 8 8 LYS H H 8 8.610 8.066 0.544 1
1 40 . 20 1 1 A 8 8 LYS HA H 8 4.204 4.621 -0.417 1
1 45 . 20 1 1 A 9 9 ILE H H 9 7.006 7.303 -0.297 1
1 46 . 20 1 1 A 9 9 ILE HA H 9 4.065 4.181 -0.116 1
1 53 . 20 1 1 A 10 10 LEU H H 10 8.588 8.576 0.012 1
1 54 . 20 1 1 A 10 10 LEU HA H 10 4.585 4.642 -0.057 1
1 64 . 20 1 1 A 11 11 LYS H H 11 8.678 8.066 0.612 1
1 65 . 20 1 1 A 11 11 LYS HA H 11 4.520 4.885 -0.365 1
1 70 . 20 1 1 A 12 12 PRO HA H 12 4.542 4.670 -0.128 1
1 77 . 20 1 1 A 13 13 VAL H H 13 8.317 8.024 0.293 1
1 78 . 20 1 1 A 13 13 VAL HA H 13 4.562 4.766 -0.204 1
1 86 . 20 1 1 A 14 14 CYS H H 14 8.676 8.712 -0.036 1
1 87 . 20 1 1 A 14 14 CYS HA H 14 4.875 5.038 -0.163 1
1 90 . 20 1 1 A 15 15 GLY H H 15 9.310 8.974 0.336 1
1 91 . 20 1 1 A 15 15 GLY HA2 H 15 4.631 4.177 0.454 1
1 92 . 20 1 1 A 15 15 GLY HA3 H 15 3.937 4.275 -0.338 1
1 93 . 20 1 1 A 16 16 SER H H 16 8.791 9.016 -0.225 1
1 94 . 20 1 1 A 16 16 SER HA H 16 4.116 4.211 -0.095 1
1 97 . 20 1 1 A 17 17 ASP H H 17 8.216 7.912 0.304 1
1 98 . 20 1 1 A 17 17 ASP HA H 17 4.526 4.675 -0.149 1
1 101 . 20 1 1 A 18 18 GLY H H 18 8.209 8.262 -0.053 1
1 102 . 20 1 1 A 18 18 GLY HA2 H 18 3.608 3.931 -0.323 1
1 103 . 20 1 1 A 18 18 GLY HA3 H 18 4.089 3.938 0.151 1
1 104 . 20 1 1 A 19 19 ARG H H 19 7.569 7.932 -0.363 1
1 105 . 20 1 1 A 19 19 ARG HA H 19 4.293 4.291 0.002 1
1 110 . 20 1 1 A 20 20 THR H H 20 8.200 8.269 -0.069 1
1 111 . 20 1 1 A 20 20 THR HA H 20 4.731 5.275 -0.544 1
1 116 . 20 1 1 A 21 21 TYR H H 21 8.819 8.497 0.322 1
1 117 . 20 1 1 A 21 21 TYR HA H 21 4.529 4.907 -0.378 1
1 124 . 20 1 1 A 22 22 ALA H H 22 8.780 8.835 -0.055 1
1 125 . 20 1 1 A 22 22 ALA HA H 22 3.901 4.231 -0.330 1
1 129 . 20 1 1 A 23 23 ASN H H 23 7.241 7.759 -0.518 1
1 130 . 20 1 1 A 23 23 ASN HA H 23 4.828 5.259 -0.431 1
1 135 . 20 1 1 A 24 24 SER H H 24 9.195 8.826 0.369 1
1 136 . 20 1 1 A 24 24 SER HA H 24 3.949 4.041 -0.092 1
1 139 . 20 1 1 A 25 25 CYS H H 25 8.059 8.052 0.007 1
1 140 . 20 1 1 A 25 25 CYS HA H 25 4.206 4.087 0.119 1
1 143 . 20 1 1 A 26 26 ILE H H 26 8.204 8.190 0.014 1
1 144 . 20 1 1 A 26 26 ILE HA H 26 3.619 3.771 -0.152 1
1 151 . 20 1 1 A 27 27 ALA H H 27 7.502 8.114 -0.612 1
1 152 . 20 1 1 A 27 27 ALA HA H 27 2.983 3.181 -0.198 1
1 156 . 20 1 1 A 28 28 ARG H H 28 7.845 7.986 -0.141 1
1 157 . 20 1 1 A 28 28 ARG HA H 28 4.004 4.076 -0.072 1
1 161 . 20 1 1 A 29 29 CYS H H 29 8.403 7.700 0.703 1
1 162 . 20 1 1 A 29 29 CYS HA H 29 4.193 4.089 0.104 1
1 165 . 20 1 1 A 30 30 ASN H H 30 7.523 7.625 -0.102 1
1 166 . 20 1 1 A 30 30 ASN HA H 30 4.576 4.716 -0.140 1
1 169 . 20 1 1 A 31 31 GLY H H 31 7.905 8.197 -0.292 1
1 170 . 20 1 1 A 31 31 GLY HA2 H 31 3.774 3.950 -0.176 1
1 171 . 20 1 1 A 31 31 GLY HA3 H 31 3.938 3.959 -0.021 1
1 172 . 20 1 1 A 32 32 VAL H H 32 7.497 7.688 -0.191 1
1 173 . 20 1 1 A 32 32 VAL HA H 32 4.149 4.185 -0.036 1
1 181 . 20 1 1 A 33 33 SER H H 33 8.127 8.665 -0.538 1
1 182 . 20 1 1 A 33 33 SER HA H 33 4.407 4.727 -0.320 1
1 184 . 20 1 1 A 34 34 ILE H H 34 8.281 8.429 -0.148 1
1 185 . 20 1 1 A 34 34 ILE HA H 34 4.180 4.295 -0.115 1
1 195 . 20 1 1 A 35 35 LYS H H 35 8.557 9.309 -0.752 1
1 196 . 20 1 1 A 35 35 LYS HA H 35 4.236 4.210 0.026 1
1 202 . 20 1 1 A 36 36 SER H H 36 8.279 7.402 0.877 1
1 203 . 20 1 1 A 36 36 SER HA H 36 4.388 4.631 -0.243 1
1 206 . 20 1 1 A 37 37 GLU H H 37 8.398 8.606 -0.208 1
1 207 . 20 1 1 A 37 37 GLU HA H 37 4.387 4.365 0.022 1
1 211 . 20 1 1 A 38 38 GLY H H 38 8.348 8.415 -0.067 1
1 212 . 20 1 1 A 38 38 GLY HA3 H 38 3.915 4.075 -0.160 1
1 213 . 20 1 1 A 39 39 SER H H 39 8.158 8.529 -0.371 1
1 214 . 20 1 1 A 39 39 SER HA H 39 4.398 4.344 0.054 1
1 217 . 20 1 1 A 40 40 CYS H H 40 8.338 7.981 0.357 1
1 218 . 20 1 1 A 40 40 CYS HA H 40 4.743 4.758 -0.015 1
1 221 . 20 1 1 A 41 41 PRO HA H 41 4.431 4.626 -0.195 1
1 228 . 20 1 1 A 42 42 THR H H 42 8.103 8.336 -0.233 1
1 229 . 20 1 1 A 42 42 THR HA H 42 4.268 4.074 0.194 1
1 234 . 20 1 1 A 43 43 GLY H H 43 8.225 8.088 0.137 1
1 235 . 20 1 1 A 43 43 GLY HA3 H 43 3.924 3.995 -0.071 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 39 0.418 1
5 1 1 1 "RMS(OBS, PRED)" HA 45 0.271 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 39 0.466 1
11 1 2 1 "RMS(OBS, PRED)" HA 45 0.247 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 39 0.420 1
17 1 3 1 "RMS(OBS, PRED)" HA 45 0.248 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 39 0.447 1
23 1 4 1 "RMS(OBS, PRED)" HA 45 0.258 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 39 0.394 1
29 1 5 1 "RMS(OBS, PRED)" HA 45 0.317 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 39 0.429 1
35 1 6 1 "RMS(OBS, PRED)" HA 45 0.241 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 39 0.430 1
41 1 7 1 "RMS(OBS, PRED)" HA 45 0.259 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 39 0.428 1
47 1 8 1 "RMS(OBS, PRED)" HA 45 0.294 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 39 0.405 1
53 1 9 1 "RMS(OBS, PRED)" HA 45 0.250 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 39 0.420 1
59 1 10 1 "RMS(OBS, PRED)" HA 45 0.230 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 39 0.414 1
65 1 11 1 "RMS(OBS, PRED)" HA 45 0.261 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 39 0.390 1
71 1 12 1 "RMS(OBS, PRED)" HA 45 0.294 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 39 0.416 1
77 1 13 1 "RMS(OBS, PRED)" HA 45 0.291 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 39 0.421 1
83 1 14 1 "RMS(OBS, PRED)" HA 45 0.274 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 39 0.357 1
89 1 15 1 "RMS(OBS, PRED)" HA 45 0.255 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 39 0.376 1
95 1 16 1 "RMS(OBS, PRED)" HA 45 0.259 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 39 0.372 1
101 1 17 1 "RMS(OBS, PRED)" HA 45 0.342 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 39 0.358 1
107 1 18 1 "RMS(OBS, PRED)" HA 45 0.287 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 39 0.346 1
113 1 19 1 "RMS(OBS, PRED)" HA 45 0.284 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 39 0.418 1
119 1 20 1 "RMS(OBS, PRED)" HA 45 0.254 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 2 . 1 1 A 2 2 LYS H H 2 8.640 8.460 0.180 2
1 3 . 1 1 A 2 2 LYS HA H 2 4.327 4.685 -0.358 2
1 10 . 1 1 A 3 3 VAL H H 3 8.362 8.133 0.229 2
1 11 . 1 1 A 3 3 VAL HA H 3 4.034 4.053 -0.019 2
1 19 . 1 1 A 4 4 CYS H H 4 8.592 8.386 0.206 2
1 20 . 1 1 A 4 4 CYS HA H 4 4.612 4.557 0.055 2
1 23 . 1 1 A 5 5 ALA H H 5 8.651 8.072 0.579 2
1 24 . 1 1 A 5 5 ALA HA H 5 4.498 4.420 0.077 2
1 28 . 1 1 A 6 6 CYS H H 6 7.904 8.289 -0.385 2
1 29 . 1 1 A 6 6 CYS HA H 6 5.269 4.633 0.636 2
1 32 . 1 1 A 7 7 PRO HA H 7 4.461 4.725 -0.264 2
1 39 . 1 1 A 8 8 LYS H H 8 8.610 8.257 0.353 2
1 40 . 1 1 A 8 8 LYS HA H 8 4.204 4.397 -0.193 2
1 45 . 1 1 A 9 9 ILE H H 9 7.006 7.295 -0.289 2
1 46 . 1 1 A 9 9 ILE HA H 9 4.065 4.059 0.006 2
1 53 . 1 1 A 10 10 LEU H H 10 8.588 8.540 0.048 2
1 54 . 1 1 A 10 10 LEU HA H 10 4.585 4.541 0.044 2
1 64 . 1 1 A 11 11 LYS H H 11 8.678 8.141 0.537 2
1 65 . 1 1 A 11 11 LYS HA H 11 4.520 4.891 -0.371 2
1 70 . 1 1 A 12 12 PRO HA H 12 4.542 4.734 -0.192 2
1 77 . 1 1 A 13 13 VAL H H 13 8.317 8.071 0.246 2
1 78 . 1 1 A 13 13 VAL HA H 13 4.562 4.801 -0.239 2
1 86 . 1 1 A 14 14 CYS H H 14 8.676 8.811 -0.135 2
1 87 . 1 1 A 14 14 CYS HA H 14 4.875 5.158 -0.283 2
1 90 . 1 1 A 15 15 GLY H H 15 9.310 9.095 0.215 2
1 91 . 1 1 A 15 15 GLY HA2 H 15 4.631 4.189 0.442 2
1 92 . 1 1 A 15 15 GLY HA3 H 15 3.937 4.297 -0.360 2
1 93 . 1 1 A 16 16 SER H H 16 8.791 9.025 -0.234 2
1 94 . 1 1 A 16 16 SER HA H 16 4.116 4.201 -0.085 2
1 97 . 1 1 A 17 17 ASP H H 17 8.216 7.916 0.300 2
1 98 . 1 1 A 17 17 ASP HA H 17 4.526 4.668 -0.142 2
1 101 . 1 1 A 18 18 GLY H H 18 8.209 8.352 -0.143 2
1 102 . 1 1 A 18 18 GLY HA2 H 18 3.608 3.888 -0.280 2
1 103 . 1 1 A 18 18 GLY HA3 H 18 4.089 3.892 0.197 2
1 104 . 1 1 A 19 19 ARG H H 19 7.569 7.745 -0.176 2
1 105 . 1 1 A 19 19 ARG HA H 19 4.293 4.456 -0.163 2
1 110 . 1 1 A 20 20 THR H H 20 8.200 8.275 -0.075 2
1 111 . 1 1 A 20 20 THR HA H 20 4.731 5.169 -0.438 2
1 116 . 1 1 A 21 21 TYR H H 21 8.819 8.537 0.282 2
1 117 . 1 1 A 21 21 TYR HA H 21 4.529 4.916 -0.387 2
1 124 . 1 1 A 22 22 ALA H H 22 8.780 8.826 -0.046 2
1 125 . 1 1 A 22 22 ALA HA H 22 3.901 4.226 -0.325 2
1 129 . 1 1 A 23 23 ASN H H 23 7.241 7.762 -0.521 2
1 130 . 1 1 A 23 23 ASN HA H 23 4.828 5.255 -0.427 2
1 135 . 1 1 A 24 24 SER H H 24 9.195 8.807 0.388 2
1 136 . 1 1 A 24 24 SER HA H 24 3.949 4.081 -0.132 2
1 139 . 1 1 A 25 25 CYS H H 25 8.059 8.047 0.012 2
1 140 . 1 1 A 25 25 CYS HA H 25 4.206 4.098 0.108 2
1 143 . 1 1 A 26 26 ILE H H 26 8.204 8.108 0.096 2
1 144 . 1 1 A 26 26 ILE HA H 26 3.619 3.780 -0.161 2
1 151 . 1 1 A 27 27 ALA H H 27 7.502 8.056 -0.554 2
1 152 . 1 1 A 27 27 ALA HA H 27 2.983 3.087 -0.104 2
1 156 . 1 1 A 28 28 ARG H H 28 7.845 8.021 -0.176 2
1 157 . 1 1 A 28 28 ARG HA H 28 4.004 4.185 -0.181 2
1 161 . 1 1 A 29 29 CYS H H 29 8.403 7.754 0.649 2
1 162 . 1 1 A 29 29 CYS HA H 29 4.193 4.105 0.088 2
1 165 . 1 1 A 30 30 ASN H H 30 7.523 7.665 -0.142 2
1 166 . 1 1 A 30 30 ASN HA H 30 4.576 4.663 -0.087 2
1 169 . 1 1 A 31 31 GLY H H 31 7.905 8.262 -0.357 2
1 170 . 1 1 A 31 31 GLY HA2 H 31 3.774 3.925 -0.151 2
1 171 . 1 1 A 31 31 GLY HA3 H 31 3.938 3.933 0.005 2
1 172 . 1 1 A 32 32 VAL H H 32 7.497 7.582 -0.085 2
1 173 . 1 1 A 32 32 VAL HA H 32 4.149 4.466 -0.317 2
1 181 . 1 1 A 33 33 SER H H 33 8.127 8.772 -0.645 2
1 182 . 1 1 A 33 33 SER HA H 33 4.407 4.761 -0.354 2
1 184 . 1 1 A 34 34 ILE H H 34 8.281 8.449 -0.168 2
1 185 . 1 1 A 34 34 ILE HA H 34 4.180 4.297 -0.117 2
1 195 . 1 1 A 35 35 LYS H H 35 8.557 9.173 -0.616 2
1 196 . 1 1 A 35 35 LYS HA H 35 4.236 4.210 0.026 2
1 202 . 1 1 A 36 36 SER H H 36 8.279 7.573 0.706 2
1 203 . 1 1 A 36 36 SER HA H 36 4.388 4.771 -0.383 2
1 206 . 1 1 A 37 37 GLU H H 37 8.398 8.623 -0.225 2
1 207 . 1 1 A 37 37 GLU HA H 37 4.387 4.376 0.011 2
1 211 . 1 1 A 38 38 GLY H H 38 8.348 8.320 0.028 2
1 212 . 1 1 A 38 38 GLY HA3 H 38 3.915 4.082 -0.167 2
1 213 . 1 1 A 39 39 SER H H 39 8.158 8.410 -0.252 2
1 214 . 1 1 A 39 39 SER HA H 39 4.398 4.364 0.034 2
1 217 . 1 1 A 40 40 CYS H H 40 8.338 8.140 0.198 2
1 218 . 1 1 A 40 40 CYS HA H 40 4.743 4.910 -0.167 2
1 221 . 1 1 A 41 41 PRO HA H 41 4.431 4.641 -0.210 2
1 228 . 1 1 A 42 42 THR H H 42 8.103 8.507 -0.404 2
1 229 . 1 1 A 42 42 THR HA H 42 4.268 4.348 -0.080 2
1 234 . 1 1 A 43 43 GLY H H 43 8.225 8.152 0.073 2
1 235 . 1 1 A 43 43 GLY HA3 H 43 3.924 3.958 -0.034 2
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