data_16437_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16437
_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 8.634 7.989 0.645 1
1 3 . 1 1 1 A 2 2 LYS HA H 2 4.309 4.859 -0.550 1
1 10 . 1 1 1 A 3 3 VAL H H 3 8.358 8.543 -0.185 1
1 11 . 1 1 1 A 3 3 VAL HA H 3 3.981 3.977 0.004 1
1 19 . 1 1 1 A 4 4 CYS H H 4 8.569 7.654 0.915 1
1 20 . 1 1 1 A 4 4 CYS HA H 4 4.580 4.603 -0.023 1
1 23 . 1 1 1 A 5 5 ALA H H 5 8.510 8.677 -0.167 1
1 24 . 1 1 1 A 5 5 ALA HA H 5 4.293 4.883 -0.590 1
1 28 . 1 1 1 A 6 6 CYS H H 6 8.262 8.510 -0.248 1
1 29 . 1 1 1 A 6 6 CYS HA H 6 4.790 4.637 0.153 1
1 32 . 1 1 1 A 7 7 PRO HA H 7 4.445 4.677 -0.232 1
1 39 . 1 1 1 A 8 8 LYS H H 8 8.581 8.066 0.515 1
1 40 . 1 1 1 A 8 8 LYS HA H 8 4.196 4.445 -0.249 1
1 43 . 1 1 1 A 9 9 ILE H H 9 6.998 7.239 -0.241 1
1 44 . 1 1 1 A 9 9 ILE HA H 9 4.046 4.037 0.009 1
1 53 . 1 1 1 A 10 10 LEU H H 10 8.616 8.420 0.196 1
1 54 . 1 1 1 A 10 10 LEU HA H 10 4.612 4.372 0.240 1
1 64 . 1 1 1 A 11 11 LYS H H 11 8.698 7.867 0.831 1
1 65 . 1 1 1 A 11 11 LYS HA H 11 4.524 4.889 -0.365 1
1 70 . 1 1 1 A 12 12 PRO HA H 12 4.553 4.715 -0.162 1
1 77 . 1 1 1 A 13 13 VAL H H 13 8.273 8.059 0.214 1
1 78 . 1 1 1 A 13 13 VAL HA H 13 4.660 4.803 -0.143 1
1 86 . 1 1 1 A 14 14 CYS H H 14 8.691 8.759 -0.068 1
1 87 . 1 1 1 A 14 14 CYS HA H 14 5.195 5.150 0.045 1
1 90 . 1 1 1 A 15 15 GLY H H 15 9.670 9.085 0.585 1
1 91 . 1 1 1 A 15 15 GLY HA2 H 15 4.741 4.192 0.549 1
1 92 . 1 1 1 A 15 15 GLY HA3 H 15 4.103 4.316 -0.213 1
1 93 . 1 1 1 A 16 16 SER H H 16 8.986 8.935 0.051 1
1 94 . 1 1 1 A 16 16 SER HA H 16 3.968 4.260 -0.292 1
1 97 . 1 1 1 A 17 17 ASP H H 17 8.117 7.983 0.134 1
1 98 . 1 1 1 A 17 17 ASP HA H 17 4.504 4.661 -0.157 1
1 101 . 1 1 1 A 18 18 GLY H H 18 8.343 8.304 0.039 1
1 102 . 1 1 1 A 18 18 GLY HA2 H 18 3.687 3.895 -0.208 1
1 103 . 1 1 1 A 18 18 GLY HA3 H 18 4.013 3.900 0.113 1
1 104 . 1 1 1 A 19 19 ARG H H 19 7.461 7.707 -0.246 1
1 105 . 1 1 1 A 19 19 ARG HA H 19 4.386 4.166 0.220 1
1 113 . 1 1 1 A 20 20 THR H H 20 8.285 8.220 0.065 1
1 114 . 1 1 1 A 20 20 THR HA H 20 4.936 5.198 -0.262 1
1 119 . 1 1 1 A 21 21 TYR H H 21 9.145 8.498 0.647 1
1 120 . 1 1 1 A 21 21 TYR HA H 21 4.531 4.902 -0.371 1
1 127 . 1 1 1 A 22 22 ALA H H 22 8.861 8.861 0.000 1
1 128 . 1 1 1 A 22 22 ALA HA H 22 3.843 4.238 -0.395 1
1 132 . 1 1 1 A 23 23 ASN H H 23 7.100 7.768 -0.668 1
1 133 . 1 1 1 A 23 23 ASN HA H 23 4.910 5.236 -0.326 1
1 138 . 1 1 1 A 24 24 SER H H 24 9.422 8.886 0.536 1
1 139 . 1 1 1 A 24 24 SER HA H 24 3.905 4.044 -0.139 1
1 140 . 1 1 1 A 25 25 CYS H H 25 8.132 7.947 0.185 1
1 141 . 1 1 1 A 25 25 CYS HA H 25 4.110 4.190 -0.080 1
1 144 . 1 1 1 A 26 26 ILE H H 26 8.022 8.138 -0.116 1
1 145 . 1 1 1 A 26 26 ILE HA H 26 3.810 3.825 -0.015 1
1 152 . 1 1 1 A 27 27 ALA H H 27 7.326 8.056 -0.730 1
1 153 . 1 1 1 A 27 27 ALA HA H 27 2.798 3.043 -0.245 1
1 157 . 1 1 1 A 28 28 ARG H H 28 7.847 8.081 -0.234 1
1 158 . 1 1 1 A 28 28 ARG HA H 28 3.947 4.201 -0.254 1
1 163 . 1 1 1 A 29 29 CYS H H 29 8.523 8.090 0.433 1
1 164 . 1 1 1 A 29 29 CYS HA H 29 4.128 4.196 -0.068 1
1 167 . 1 1 1 A 30 30 ASN H H 30 7.401 7.653 -0.252 1
1 168 . 1 1 1 A 30 30 ASN HA H 30 4.537 4.732 -0.195 1
1 173 . 1 1 1 A 31 31 GLY H H 31 7.919 8.946 -1.027 1
1 174 . 1 1 1 A 31 31 GLY HA2 H 31 3.731 3.869 -0.138 1
1 175 . 1 1 1 A 31 31 GLY HA3 H 31 3.915 3.877 0.038 1
1 176 . 1 1 1 A 32 32 VAL H H 32 7.316 7.647 -0.331 1
1 177 . 1 1 1 A 32 32 VAL HA H 32 4.212 4.645 -0.433 1
1 185 . 1 1 1 A 33 33 SER H H 33 8.039 8.774 -0.735 1
1 186 . 1 1 1 A 33 33 SER HA H 33 4.378 4.776 -0.398 1
1 189 . 1 1 1 A 34 34 ILE H H 34 8.555 8.468 0.087 1
1 190 . 1 1 1 A 34 34 ILE HA H 34 3.867 4.311 -0.444 1
1 200 . 1 1 1 A 35 35 LYS H H 35 9.177 9.242 -0.065 1
1 201 . 1 1 1 A 35 35 LYS HA H 35 4.243 4.220 0.023 1
1 206 . 1 1 1 A 36 36 SER H H 36 7.740 7.613 0.127 1
1 207 . 1 1 1 A 36 36 SER HA H 36 4.496 4.769 -0.273 1
1 210 . 1 1 1 A 37 37 GLU H H 37 8.608 8.642 -0.034 1
1 211 . 1 1 1 A 37 37 GLU HA H 37 4.304 4.344 -0.040 1
1 216 . 1 1 1 A 38 38 GLY H H 38 7.992 8.440 -0.448 1
1 217 . 1 1 1 A 38 38 GLY HA2 H 38 3.481 4.074 -0.593 1
1 218 . 1 1 1 A 38 38 GLY HA3 H 38 4.222 4.077 0.145 1
1 219 . 1 1 1 A 39 39 SER H H 39 7.776 8.283 -0.507 1
1 220 . 1 1 1 A 39 39 SER HA H 39 4.092 4.444 -0.352 1
1 223 . 1 1 1 A 40 40 CYS H H 40 8.398 8.221 0.177 1
1 224 . 1 1 1 A 40 40 CYS HA H 40 4.614 5.134 -0.520 1
1 227 . 1 1 1 A 41 41 PRO HA H 41 4.397 4.699 -0.302 1
1 234 . 1 1 1 A 42 42 THR H H 42 8.192 8.436 -0.244 1
1 235 . 1 1 1 A 42 42 THR HA H 42 4.171 4.040 0.131 1
1 240 . 1 1 1 A 43 43 GLY H H 43 8.299 8.243 0.056 1
1 241 . 1 1 1 A 43 43 GLY HA2 H 43 3.889 3.957 -0.068 1
1 242 . 1 1 1 A 43 43 GLY HA3 H 43 3.889 3.958 -0.069 1
1 2 . 2 1 1 A 2 2 LYS H H 2 8.634 7.998 0.636 1
1 3 . 2 1 1 A 2 2 LYS HA H 2 4.309 4.656 -0.347 1
1 10 . 2 1 1 A 3 3 VAL H H 3 8.358 7.140 1.218 1
1 11 . 2 1 1 A 3 3 VAL HA H 3 3.981 3.957 0.024 1
1 19 . 2 1 1 A 4 4 CYS H H 4 8.569 8.628 -0.059 1
1 20 . 2 1 1 A 4 4 CYS HA H 4 4.580 4.481 0.099 1
1 23 . 2 1 1 A 5 5 ALA H H 5 8.510 7.787 0.723 1
1 24 . 2 1 1 A 5 5 ALA HA H 5 4.293 4.462 -0.169 1
1 28 . 2 1 1 A 6 6 CYS H H 6 8.262 8.598 -0.336 1
1 29 . 2 1 1 A 6 6 CYS HA H 6 4.790 4.645 0.145 1
1 32 . 2 1 1 A 7 7 PRO HA H 7 4.445 4.739 -0.294 1
1 39 . 2 1 1 A 8 8 LYS H H 8 8.581 8.468 0.113 1
1 40 . 2 1 1 A 8 8 LYS HA H 8 4.196 4.455 -0.259 1
1 43 . 2 1 1 A 9 9 ILE H H 9 6.998 7.200 -0.202 1
1 44 . 2 1 1 A 9 9 ILE HA H 9 4.046 4.029 0.017 1
1 53 . 2 1 1 A 10 10 LEU H H 10 8.616 8.453 0.163 1
1 54 . 2 1 1 A 10 10 LEU HA H 10 4.612 4.460 0.152 1
1 64 . 2 1 1 A 11 11 LYS H H 11 8.698 7.863 0.835 1
1 65 . 2 1 1 A 11 11 LYS HA H 11 4.524 4.881 -0.357 1
1 70 . 2 1 1 A 12 12 PRO HA H 12 4.553 4.740 -0.187 1
1 77 . 2 1 1 A 13 13 VAL H H 13 8.273 8.062 0.211 1
1 78 . 2 1 1 A 13 13 VAL HA H 13 4.660 4.806 -0.146 1
1 86 . 2 1 1 A 14 14 CYS H H 14 8.691 9.041 -0.350 1
1 87 . 2 1 1 A 14 14 CYS HA H 14 5.195 5.228 -0.033 1
1 90 . 2 1 1 A 15 15 GLY H H 15 9.670 8.984 0.686 1
1 91 . 2 1 1 A 15 15 GLY HA2 H 15 4.741 4.167 0.574 1
1 92 . 2 1 1 A 15 15 GLY HA3 H 15 4.103 4.233 -0.130 1
1 93 . 2 1 1 A 16 16 SER H H 16 8.986 9.152 -0.166 1
1 94 . 2 1 1 A 16 16 SER HA H 16 3.968 4.133 -0.165 1
1 97 . 2 1 1 A 17 17 ASP H H 17 8.117 7.891 0.226 1
1 98 . 2 1 1 A 17 17 ASP HA H 17 4.504 4.693 -0.189 1
1 101 . 2 1 1 A 18 18 GLY H H 18 8.343 8.279 0.064 1
1 102 . 2 1 1 A 18 18 GLY HA2 H 18 3.687 3.930 -0.243 1
1 103 . 2 1 1 A 18 18 GLY HA3 H 18 4.013 3.938 0.075 1
1 104 . 2 1 1 A 19 19 ARG H H 19 7.461 8.006 -0.545 1
1 105 . 2 1 1 A 19 19 ARG HA H 19 4.386 4.332 0.054 1
1 113 . 2 1 1 A 20 20 THR H H 20 8.285 8.256 0.029 1
1 114 . 2 1 1 A 20 20 THR HA H 20 4.936 5.315 -0.379 1
1 119 . 2 1 1 A 21 21 TYR H H 21 9.145 8.529 0.616 1
1 120 . 2 1 1 A 21 21 TYR HA H 21 4.531 4.893 -0.362 1
1 127 . 2 1 1 A 22 22 ALA H H 22 8.861 8.613 0.248 1
1 128 . 2 1 1 A 22 22 ALA HA H 22 3.843 4.164 -0.321 1
1 132 . 2 1 1 A 23 23 ASN H H 23 7.100 7.766 -0.666 1
1 133 . 2 1 1 A 23 23 ASN HA H 23 4.910 5.222 -0.312 1
1 138 . 2 1 1 A 24 24 SER H H 24 9.422 8.736 0.686 1
1 139 . 2 1 1 A 24 24 SER HA H 24 3.905 4.106 -0.201 1
1 140 . 2 1 1 A 25 25 CYS H H 25 8.132 8.077 0.055 1
1 141 . 2 1 1 A 25 25 CYS HA H 25 4.110 4.026 0.084 1
1 144 . 2 1 1 A 26 26 ILE H H 26 8.022 8.225 -0.203 1
1 145 . 2 1 1 A 26 26 ILE HA H 26 3.810 3.568 0.242 1
1 152 . 2 1 1 A 27 27 ALA H H 27 7.326 8.169 -0.843 1
1 153 . 2 1 1 A 27 27 ALA HA H 27 2.798 2.890 -0.092 1
1 157 . 2 1 1 A 28 28 ARG H H 28 7.847 8.143 -0.296 1
1 158 . 2 1 1 A 28 28 ARG HA H 28 3.947 4.199 -0.252 1
1 163 . 2 1 1 A 29 29 CYS H H 29 8.523 7.558 0.965 1
1 164 . 2 1 1 A 29 29 CYS HA H 29 4.128 4.088 0.040 1
1 167 . 2 1 1 A 30 30 ASN H H 30 7.401 7.461 -0.060 1
1 168 . 2 1 1 A 30 30 ASN HA H 30 4.537 4.675 -0.138 1
1 173 . 2 1 1 A 31 31 GLY H H 31 7.919 8.153 -0.234 1
1 174 . 2 1 1 A 31 31 GLY HA2 H 31 3.731 3.962 -0.231 1
1 175 . 2 1 1 A 31 31 GLY HA3 H 31 3.915 3.971 -0.056 1
1 176 . 2 1 1 A 32 32 VAL H H 32 7.316 7.710 -0.394 1
1 177 . 2 1 1 A 32 32 VAL HA H 32 4.212 4.172 0.040 1
1 185 . 2 1 1 A 33 33 SER H H 33 8.039 8.629 -0.590 1
1 186 . 2 1 1 A 33 33 SER HA H 33 4.378 4.594 -0.216 1
1 189 . 2 1 1 A 34 34 ILE H H 34 8.555 8.771 -0.216 1
1 190 . 2 1 1 A 34 34 ILE HA H 34 3.867 4.289 -0.422 1
1 200 . 2 1 1 A 35 35 LYS H H 35 9.177 8.700 0.477 1
1 201 . 2 1 1 A 35 35 LYS HA H 35 4.243 4.104 0.139 1
1 206 . 2 1 1 A 36 36 SER H H 36 7.740 7.517 0.223 1
1 207 . 2 1 1 A 36 36 SER HA H 36 4.496 4.600 -0.104 1
1 210 . 2 1 1 A 37 37 GLU H H 37 8.608 8.590 0.018 1
1 211 . 2 1 1 A 37 37 GLU HA H 37 4.304 4.471 -0.167 1
1 216 . 2 1 1 A 38 38 GLY H H 38 7.992 8.254 -0.262 1
1 217 . 2 1 1 A 38 38 GLY HA2 H 38 3.481 4.095 -0.614 1
1 218 . 2 1 1 A 38 38 GLY HA3 H 38 4.222 4.097 0.125 1
1 219 . 2 1 1 A 39 39 SER H H 39 7.776 8.545 -0.769 1
1 220 . 2 1 1 A 39 39 SER HA H 39 4.092 4.349 -0.257 1
1 223 . 2 1 1 A 40 40 CYS H H 40 8.398 7.892 0.506 1
1 224 . 2 1 1 A 40 40 CYS HA H 40 4.614 4.807 -0.193 1
1 227 . 2 1 1 A 41 41 PRO HA H 41 4.397 4.642 -0.245 1
1 234 . 2 1 1 A 42 42 THR H H 42 8.192 8.505 -0.313 1
1 235 . 2 1 1 A 42 42 THR HA H 42 4.171 4.737 -0.566 1
1 240 . 2 1 1 A 43 43 GLY H H 43 8.299 8.409 -0.110 1
1 241 . 2 1 1 A 43 43 GLY HA2 H 43 3.889 4.010 -0.121 1
1 242 . 2 1 1 A 43 43 GLY HA3 H 43 3.889 4.010 -0.121 1
1 2 . 3 1 1 A 2 2 LYS H H 2 8.634 8.527 0.107 1
1 3 . 3 1 1 A 2 2 LYS HA H 2 4.309 4.632 -0.323 1
1 10 . 3 1 1 A 3 3 VAL H H 3 8.358 8.234 0.124 1
1 11 . 3 1 1 A 3 3 VAL HA H 3 3.981 3.982 -0.001 1
1 19 . 3 1 1 A 4 4 CYS H H 4 8.569 7.835 0.734 1
1 20 . 3 1 1 A 4 4 CYS HA H 4 4.580 4.667 -0.087 1
1 23 . 3 1 1 A 5 5 ALA H H 5 8.510 7.689 0.821 1
1 24 . 3 1 1 A 5 5 ALA HA H 5 4.293 4.266 0.027 1
1 28 . 3 1 1 A 6 6 CYS H H 6 8.262 7.877 0.385 1
1 29 . 3 1 1 A 6 6 CYS HA H 6 4.790 4.634 0.156 1
1 32 . 3 1 1 A 7 7 PRO HA H 7 4.445 4.680 -0.235 1
1 39 . 3 1 1 A 8 8 LYS H H 8 8.581 8.046 0.535 1
1 40 . 3 1 1 A 8 8 LYS HA H 8 4.196 4.397 -0.201 1
1 43 . 3 1 1 A 9 9 ILE H H 9 6.998 7.279 -0.281 1
1 44 . 3 1 1 A 9 9 ILE HA H 9 4.046 4.032 0.014 1
1 53 . 3 1 1 A 10 10 LEU H H 10 8.616 8.626 -0.010 1
1 54 . 3 1 1 A 10 10 LEU HA H 10 4.612 4.595 0.017 1
1 64 . 3 1 1 A 11 11 LYS H H 11 8.698 7.928 0.770 1
1 65 . 3 1 1 A 11 11 LYS HA H 11 4.524 4.751 -0.227 1
1 70 . 3 1 1 A 12 12 PRO HA H 12 4.553 4.694 -0.141 1
1 77 . 3 1 1 A 13 13 VAL H H 13 8.273 8.023 0.250 1
1 78 . 3 1 1 A 13 13 VAL HA H 13 4.660 4.798 -0.138 1
1 86 . 3 1 1 A 14 14 CYS H H 14 8.691 8.698 -0.007 1
1 87 . 3 1 1 A 14 14 CYS HA H 14 5.195 4.947 0.248 1
1 90 . 3 1 1 A 15 15 GLY H H 15 9.670 8.973 0.697 1
1 91 . 3 1 1 A 15 15 GLY HA2 H 15 4.741 4.194 0.547 1
1 92 . 3 1 1 A 15 15 GLY HA3 H 15 4.103 4.314 -0.211 1
1 93 . 3 1 1 A 16 16 SER H H 16 8.986 9.069 -0.083 1
1 94 . 3 1 1 A 16 16 SER HA H 16 3.968 4.225 -0.257 1
1 97 . 3 1 1 A 17 17 ASP H H 17 8.117 7.873 0.244 1
1 98 . 3 1 1 A 17 17 ASP HA H 17 4.504 4.714 -0.210 1
1 101 . 3 1 1 A 18 18 GLY H H 18 8.343 8.272 0.071 1
1 102 . 3 1 1 A 18 18 GLY HA2 H 18 3.687 3.917 -0.230 1
1 103 . 3 1 1 A 18 18 GLY HA3 H 18 4.013 3.918 0.095 1
1 104 . 3 1 1 A 19 19 ARG H H 19 7.461 7.671 -0.210 1
1 105 . 3 1 1 A 19 19 ARG HA H 19 4.386 4.188 0.198 1
1 113 . 3 1 1 A 20 20 THR H H 20 8.285 8.158 0.127 1
1 114 . 3 1 1 A 20 20 THR HA H 20 4.936 5.085 -0.149 1
1 119 . 3 1 1 A 21 21 TYR H H 21 9.145 8.349 0.796 1
1 120 . 3 1 1 A 21 21 TYR HA H 21 4.531 4.883 -0.352 1
1 127 . 3 1 1 A 22 22 ALA H H 22 8.861 8.850 0.011 1
1 128 . 3 1 1 A 22 22 ALA HA H 22 3.843 4.227 -0.384 1
1 132 . 3 1 1 A 23 23 ASN H H 23 7.100 7.794 -0.694 1
1 133 . 3 1 1 A 23 23 ASN HA H 23 4.910 5.218 -0.308 1
1 138 . 3 1 1 A 24 24 SER H H 24 9.422 8.814 0.608 1
1 139 . 3 1 1 A 24 24 SER HA H 24 3.905 4.070 -0.165 1
1 140 . 3 1 1 A 25 25 CYS H H 25 8.132 8.015 0.117 1
1 141 . 3 1 1 A 25 25 CYS HA H 25 4.110 4.256 -0.146 1
1 144 . 3 1 1 A 26 26 ILE H H 26 8.022 8.039 -0.017 1
1 145 . 3 1 1 A 26 26 ILE HA H 26 3.810 3.862 -0.052 1
1 152 . 3 1 1 A 27 27 ALA H H 27 7.326 8.088 -0.762 1
1 153 . 3 1 1 A 27 27 ALA HA H 27 2.798 3.385 -0.587 1
1 157 . 3 1 1 A 28 28 ARG H H 28 7.847 8.231 -0.384 1
1 158 . 3 1 1 A 28 28 ARG HA H 28 3.947 4.124 -0.177 1
1 163 . 3 1 1 A 29 29 CYS H H 29 8.523 7.858 0.665 1
1 164 . 3 1 1 A 29 29 CYS HA H 29 4.128 4.155 -0.027 1
1 167 . 3 1 1 A 30 30 ASN H H 30 7.401 7.541 -0.140 1
1 168 . 3 1 1 A 30 30 ASN HA H 30 4.537 4.600 -0.063 1
1 173 . 3 1 1 A 31 31 GLY H H 31 7.919 8.671 -0.752 1
1 174 . 3 1 1 A 31 31 GLY HA2 H 31 3.731 3.894 -0.163 1
1 175 . 3 1 1 A 31 31 GLY HA3 H 31 3.915 3.899 0.016 1
1 176 . 3 1 1 A 32 32 VAL H H 32 7.316 7.657 -0.341 1
1 177 . 3 1 1 A 32 32 VAL HA H 32 4.212 4.673 -0.461 1
1 185 . 3 1 1 A 33 33 SER H H 33 8.039 8.814 -0.775 1
1 186 . 3 1 1 A 33 33 SER HA H 33 4.378 4.704 -0.326 1
1 189 . 3 1 1 A 34 34 ILE H H 34 8.555 8.466 0.089 1
1 190 . 3 1 1 A 34 34 ILE HA H 34 3.867 4.275 -0.408 1
1 200 . 3 1 1 A 35 35 LYS H H 35 9.177 9.257 -0.080 1
1 201 . 3 1 1 A 35 35 LYS HA H 35 4.243 4.240 0.003 1
1 206 . 3 1 1 A 36 36 SER H H 36 7.740 7.605 0.135 1
1 207 . 3 1 1 A 36 36 SER HA H 36 4.496 4.785 -0.289 1
1 210 . 3 1 1 A 37 37 GLU H H 37 8.608 8.610 -0.002 1
1 211 . 3 1 1 A 37 37 GLU HA H 37 4.304 4.336 -0.032 1
1 216 . 3 1 1 A 38 38 GLY H H 38 7.992 8.422 -0.430 1
1 217 . 3 1 1 A 38 38 GLY HA2 H 38 3.481 4.064 -0.583 1
1 218 . 3 1 1 A 38 38 GLY HA3 H 38 4.222 4.067 0.155 1
1 219 . 3 1 1 A 39 39 SER H H 39 7.776 8.233 -0.457 1
1 220 . 3 1 1 A 39 39 SER HA H 39 4.092 4.416 -0.324 1
1 223 . 3 1 1 A 40 40 CYS H H 40 8.398 8.253 0.145 1
1 224 . 3 1 1 A 40 40 CYS HA H 40 4.614 5.130 -0.516 1
1 227 . 3 1 1 A 41 41 PRO HA H 41 4.397 4.736 -0.339 1
1 234 . 3 1 1 A 42 42 THR H H 42 8.192 8.468 -0.276 1
1 235 . 3 1 1 A 42 42 THR HA H 42 4.171 4.179 -0.008 1
1 240 . 3 1 1 A 43 43 GLY H H 43 8.299 8.459 -0.160 1
1 241 . 3 1 1 A 43 43 GLY HA2 H 43 3.889 3.933 -0.044 1
1 242 . 3 1 1 A 43 43 GLY HA3 H 43 3.889 3.933 -0.044 1
1 2 . 4 1 1 A 2 2 LYS H H 2 8.634 8.764 -0.130 1
1 3 . 4 1 1 A 2 2 LYS HA H 2 4.309 4.812 -0.503 1
1 10 . 4 1 1 A 3 3 VAL H H 3 8.358 8.675 -0.317 1
1 11 . 4 1 1 A 3 3 VAL HA H 3 3.981 4.081 -0.100 1
1 19 . 4 1 1 A 4 4 CYS H H 4 8.569 8.964 -0.395 1
1 20 . 4 1 1 A 4 4 CYS HA H 4 4.580 4.357 0.223 1
1 23 . 4 1 1 A 5 5 ALA H H 5 8.510 7.611 0.899 1
1 24 . 4 1 1 A 5 5 ALA HA H 5 4.293 4.524 -0.231 1
1 28 . 4 1 1 A 6 6 CYS H H 6 8.262 8.356 -0.094 1
1 29 . 4 1 1 A 6 6 CYS HA H 6 4.790 4.609 0.181 1
1 32 . 4 1 1 A 7 7 PRO HA H 7 4.445 4.670 -0.225 1
1 39 . 4 1 1 A 8 8 LYS H H 8 8.581 8.218 0.363 1
1 40 . 4 1 1 A 8 8 LYS HA H 8 4.196 4.200 -0.004 1
1 43 . 4 1 1 A 9 9 ILE H H 9 6.998 7.337 -0.339 1
1 44 . 4 1 1 A 9 9 ILE HA H 9 4.046 3.971 0.075 1
1 53 . 4 1 1 A 10 10 LEU H H 10 8.616 8.624 -0.008 1
1 54 . 4 1 1 A 10 10 LEU HA H 10 4.612 4.512 0.100 1
1 64 . 4 1 1 A 11 11 LYS H H 11 8.698 8.031 0.667 1
1 65 . 4 1 1 A 11 11 LYS HA H 11 4.524 4.887 -0.363 1
1 70 . 4 1 1 A 12 12 PRO HA H 12 4.553 4.716 -0.163 1
1 77 . 4 1 1 A 13 13 VAL H H 13 8.273 8.066 0.207 1
1 78 . 4 1 1 A 13 13 VAL HA H 13 4.660 4.801 -0.141 1
1 86 . 4 1 1 A 14 14 CYS H H 14 8.691 8.627 0.064 1
1 87 . 4 1 1 A 14 14 CYS HA H 14 5.195 5.136 0.059 1
1 90 . 4 1 1 A 15 15 GLY H H 15 9.670 9.187 0.483 1
1 91 . 4 1 1 A 15 15 GLY HA2 H 15 4.741 4.188 0.553 1
1 92 . 4 1 1 A 15 15 GLY HA3 H 15 4.103 4.311 -0.208 1
1 93 . 4 1 1 A 16 16 SER H H 16 8.986 9.043 -0.057 1
1 94 . 4 1 1 A 16 16 SER HA H 16 3.968 4.214 -0.246 1
1 97 . 4 1 1 A 17 17 ASP H H 17 8.117 8.068 0.049 1
1 98 . 4 1 1 A 17 17 ASP HA H 17 4.504 4.636 -0.132 1
1 101 . 4 1 1 A 18 18 GLY H H 18 8.343 8.672 -0.329 1
1 102 . 4 1 1 A 18 18 GLY HA2 H 18 3.687 3.814 -0.127 1
1 103 . 4 1 1 A 18 18 GLY HA3 H 18 4.013 3.818 0.195 1
1 104 . 4 1 1 A 19 19 ARG H H 19 7.461 7.660 -0.199 1
1 105 . 4 1 1 A 19 19 ARG HA H 19 4.386 4.647 -0.261 1
1 113 . 4 1 1 A 20 20 THR H H 20 8.285 8.298 -0.013 1
1 114 . 4 1 1 A 20 20 THR HA H 20 4.936 5.198 -0.262 1
1 119 . 4 1 1 A 21 21 TYR H H 21 9.145 8.533 0.612 1
1 120 . 4 1 1 A 21 21 TYR HA H 21 4.531 4.896 -0.365 1
1 127 . 4 1 1 A 22 22 ALA H H 22 8.861 8.823 0.038 1
1 128 . 4 1 1 A 22 22 ALA HA H 22 3.843 4.238 -0.395 1
1 132 . 4 1 1 A 23 23 ASN H H 23 7.100 7.778 -0.678 1
1 133 . 4 1 1 A 23 23 ASN HA H 23 4.910 5.216 -0.306 1
1 138 . 4 1 1 A 24 24 SER H H 24 9.422 8.820 0.602 1
1 139 . 4 1 1 A 24 24 SER HA H 24 3.905 4.054 -0.149 1
1 140 . 4 1 1 A 25 25 CYS H H 25 8.132 8.123 0.009 1
1 141 . 4 1 1 A 25 25 CYS HA H 25 4.110 4.036 0.074 1
1 144 . 4 1 1 A 26 26 ILE H H 26 8.022 8.251 -0.229 1
1 145 . 4 1 1 A 26 26 ILE HA H 26 3.810 3.688 0.122 1
1 152 . 4 1 1 A 27 27 ALA H H 27 7.326 8.226 -0.900 1
1 153 . 4 1 1 A 27 27 ALA HA H 27 2.798 3.156 -0.358 1
1 157 . 4 1 1 A 28 28 ARG H H 28 7.847 8.226 -0.379 1
1 158 . 4 1 1 A 28 28 ARG HA H 28 3.947 4.193 -0.246 1
1 163 . 4 1 1 A 29 29 CYS H H 29 8.523 7.481 1.042 1
1 164 . 4 1 1 A 29 29 CYS HA H 29 4.128 4.087 0.041 1
1 167 . 4 1 1 A 30 30 ASN H H 30 7.401 7.662 -0.261 1
1 168 . 4 1 1 A 30 30 ASN HA H 30 4.537 4.703 -0.166 1
1 173 . 4 1 1 A 31 31 GLY H H 31 7.919 8.943 -1.024 1
1 174 . 4 1 1 A 31 31 GLY HA2 H 31 3.731 3.891 -0.160 1
1 175 . 4 1 1 A 31 31 GLY HA3 H 31 3.915 3.898 0.017 1
1 176 . 4 1 1 A 32 32 VAL H H 32 7.316 7.670 -0.354 1
1 177 . 4 1 1 A 32 32 VAL HA H 32 4.212 4.636 -0.424 1
1 185 . 4 1 1 A 33 33 SER H H 33 8.039 8.886 -0.847 1
1 186 . 4 1 1 A 33 33 SER HA H 33 4.378 4.716 -0.338 1
1 189 . 4 1 1 A 34 34 ILE H H 34 8.555 8.445 0.110 1
1 190 . 4 1 1 A 34 34 ILE HA H 34 3.867 4.265 -0.398 1
1 200 . 4 1 1 A 35 35 LYS H H 35 9.177 9.169 0.008 1
1 201 . 4 1 1 A 35 35 LYS HA H 35 4.243 4.146 0.097 1
1 206 . 4 1 1 A 36 36 SER H H 36 7.740 7.597 0.143 1
1 207 . 4 1 1 A 36 36 SER HA H 36 4.496 4.794 -0.298 1
1 210 . 4 1 1 A 37 37 GLU H H 37 8.608 8.642 -0.034 1
1 211 . 4 1 1 A 37 37 GLU HA H 37 4.304 4.315 -0.011 1
1 216 . 4 1 1 A 38 38 GLY H H 38 7.992 8.302 -0.310 1
1 217 . 4 1 1 A 38 38 GLY HA2 H 38 3.481 4.077 -0.596 1
1 218 . 4 1 1 A 38 38 GLY HA3 H 38 4.222 4.079 0.143 1
1 219 . 4 1 1 A 39 39 SER H H 39 7.776 8.302 -0.526 1
1 220 . 4 1 1 A 39 39 SER HA H 39 4.092 4.384 -0.292 1
1 223 . 4 1 1 A 40 40 CYS H H 40 8.398 8.463 -0.065 1
1 224 . 4 1 1 A 40 40 CYS HA H 40 4.614 4.958 -0.344 1
1 227 . 4 1 1 A 41 41 PRO HA H 41 4.397 4.651 -0.254 1
1 234 . 4 1 1 A 42 42 THR H H 42 8.192 8.553 -0.361 1
1 235 . 4 1 1 A 42 42 THR HA H 42 4.171 4.290 -0.119 1
1 240 . 4 1 1 A 43 43 GLY H H 43 8.299 8.000 0.299 1
1 241 . 4 1 1 A 43 43 GLY HA2 H 43 3.889 3.951 -0.062 1
1 242 . 4 1 1 A 43 43 GLY HA3 H 43 3.889 3.952 -0.063 1
1 2 . 5 1 1 A 2 2 LYS H H 2 8.634 8.871 -0.237 1
1 3 . 5 1 1 A 2 2 LYS HA H 2 4.309 4.941 -0.632 1
1 10 . 5 1 1 A 3 3 VAL H H 3 8.358 8.931 -0.573 1
1 11 . 5 1 1 A 3 3 VAL HA H 3 3.981 4.075 -0.094 1
1 19 . 5 1 1 A 4 4 CYS H H 4 8.569 8.671 -0.102 1
1 20 . 5 1 1 A 4 4 CYS HA H 4 4.580 4.345 0.235 1
1 23 . 5 1 1 A 5 5 ALA H H 5 8.510 7.685 0.825 1
1 24 . 5 1 1 A 5 5 ALA HA H 5 4.293 4.488 -0.195 1
1 28 . 5 1 1 A 6 6 CYS H H 6 8.262 8.421 -0.159 1
1 29 . 5 1 1 A 6 6 CYS HA H 6 4.790 4.635 0.155 1
1 32 . 5 1 1 A 7 7 PRO HA H 7 4.445 4.764 -0.319 1
1 39 . 5 1 1 A 8 8 LYS H H 8 8.581 8.472 0.109 1
1 40 . 5 1 1 A 8 8 LYS HA H 8 4.196 4.466 -0.270 1
1 43 . 5 1 1 A 9 9 ILE H H 9 6.998 7.210 -0.212 1
1 44 . 5 1 1 A 9 9 ILE HA H 9 4.046 4.004 0.042 1
1 53 . 5 1 1 A 10 10 LEU H H 10 8.616 8.594 0.022 1
1 54 . 5 1 1 A 10 10 LEU HA H 10 4.612 4.513 0.099 1
1 64 . 5 1 1 A 11 11 LYS H H 11 8.698 8.196 0.502 1
1 65 . 5 1 1 A 11 11 LYS HA H 11 4.524 4.914 -0.390 1
1 70 . 5 1 1 A 12 12 PRO HA H 12 4.553 4.799 -0.246 1
1 77 . 5 1 1 A 13 13 VAL H H 13 8.273 8.017 0.256 1
1 78 . 5 1 1 A 13 13 VAL HA H 13 4.660 4.786 -0.126 1
1 86 . 5 1 1 A 14 14 CYS H H 14 8.691 8.753 -0.062 1
1 87 . 5 1 1 A 14 14 CYS HA H 14 5.195 4.799 0.396 1
1 90 . 5 1 1 A 15 15 GLY H H 15 9.670 8.955 0.715 1
1 91 . 5 1 1 A 15 15 GLY HA2 H 15 4.741 4.229 0.512 1
1 92 . 5 1 1 A 15 15 GLY HA3 H 15 4.103 4.368 -0.265 1
1 93 . 5 1 1 A 16 16 SER H H 16 8.986 8.946 0.040 1
1 94 . 5 1 1 A 16 16 SER HA H 16 3.968 4.198 -0.230 1
1 97 . 5 1 1 A 17 17 ASP H H 17 8.117 7.881 0.236 1
1 98 . 5 1 1 A 17 17 ASP HA H 17 4.504 4.745 -0.241 1
1 101 . 5 1 1 A 18 18 GLY H H 18 8.343 8.745 -0.402 1
1 102 . 5 1 1 A 18 18 GLY HA2 H 18 3.687 3.901 -0.214 1
1 103 . 5 1 1 A 18 18 GLY HA3 H 18 4.013 3.903 0.110 1
1 104 . 5 1 1 A 19 19 ARG H H 19 7.461 7.534 -0.073 1
1 105 . 5 1 1 A 19 19 ARG HA H 19 4.386 4.859 -0.473 1
1 113 . 5 1 1 A 20 20 THR H H 20 8.285 8.585 -0.300 1
1 114 . 5 1 1 A 20 20 THR HA H 20 4.936 5.125 -0.189 1
1 119 . 5 1 1 A 21 21 TYR H H 21 9.145 8.328 0.817 1
1 120 . 5 1 1 A 21 21 TYR HA H 21 4.531 4.930 -0.399 1
1 127 . 5 1 1 A 22 22 ALA H H 22 8.861 8.861 0.000 1
1 128 . 5 1 1 A 22 22 ALA HA H 22 3.843 4.240 -0.397 1
1 132 . 5 1 1 A 23 23 ASN H H 23 7.100 7.782 -0.682 1
1 133 . 5 1 1 A 23 23 ASN HA H 23 4.910 5.216 -0.306 1
1 138 . 5 1 1 A 24 24 SER H H 24 9.422 8.868 0.554 1
1 139 . 5 1 1 A 24 24 SER HA H 24 3.905 4.062 -0.157 1
1 140 . 5 1 1 A 25 25 CYS H H 25 8.132 7.938 0.194 1
1 141 . 5 1 1 A 25 25 CYS HA H 25 4.110 4.187 -0.077 1
1 144 . 5 1 1 A 26 26 ILE H H 26 8.022 7.770 0.252 1
1 145 . 5 1 1 A 26 26 ILE HA H 26 3.810 3.779 0.031 1
1 152 . 5 1 1 A 27 27 ALA H H 27 7.326 8.100 -0.774 1
1 153 . 5 1 1 A 27 27 ALA HA H 27 2.798 3.061 -0.263 1
1 157 . 5 1 1 A 28 28 ARG H H 28 7.847 7.707 0.140 1
1 158 . 5 1 1 A 28 28 ARG HA H 28 3.947 4.252 -0.305 1
1 163 . 5 1 1 A 29 29 CYS H H 29 8.523 7.761 0.762 1
1 164 . 5 1 1 A 29 29 CYS HA H 29 4.128 3.966 0.162 1
1 167 . 5 1 1 A 30 30 ASN H H 30 7.401 7.761 -0.360 1
1 168 . 5 1 1 A 30 30 ASN HA H 30 4.537 4.581 -0.044 1
1 173 . 5 1 1 A 31 31 GLY H H 31 7.919 8.073 -0.154 1
1 174 . 5 1 1 A 31 31 GLY HA2 H 31 3.731 3.925 -0.194 1
1 175 . 5 1 1 A 31 31 GLY HA3 H 31 3.915 3.933 -0.018 1
1 176 . 5 1 1 A 32 32 VAL H H 32 7.316 7.611 -0.295 1
1 177 . 5 1 1 A 32 32 VAL HA H 32 4.212 4.454 -0.242 1
1 185 . 5 1 1 A 33 33 SER H H 33 8.039 8.731 -0.692 1
1 186 . 5 1 1 A 33 33 SER HA H 33 4.378 5.238 -0.860 1
1 189 . 5 1 1 A 34 34 ILE H H 34 8.555 8.312 0.243 1
1 190 . 5 1 1 A 34 34 ILE HA H 34 3.867 4.235 -0.368 1
1 200 . 5 1 1 A 35 35 LYS H H 35 9.177 9.167 0.010 1
1 201 . 5 1 1 A 35 35 LYS HA H 35 4.243 4.222 0.021 1
1 206 . 5 1 1 A 36 36 SER H H 36 7.740 7.709 0.031 1
1 207 . 5 1 1 A 36 36 SER HA H 36 4.496 4.905 -0.409 1
1 210 . 5 1 1 A 37 37 GLU H H 37 8.608 8.642 -0.034 1
1 211 . 5 1 1 A 37 37 GLU HA H 37 4.304 4.441 -0.137 1
1 216 . 5 1 1 A 38 38 GLY H H 38 7.992 8.264 -0.272 1
1 217 . 5 1 1 A 38 38 GLY HA2 H 38 3.481 4.068 -0.587 1
1 218 . 5 1 1 A 38 38 GLY HA3 H 38 4.222 4.071 0.151 1
1 219 . 5 1 1 A 39 39 SER H H 39 7.776 8.270 -0.494 1
1 220 . 5 1 1 A 39 39 SER HA H 39 4.092 4.499 -0.407 1
1 223 . 5 1 1 A 40 40 CYS H H 40 8.398 8.511 -0.113 1
1 224 . 5 1 1 A 40 40 CYS HA H 40 4.614 5.073 -0.459 1
1 227 . 5 1 1 A 41 41 PRO HA H 41 4.397 4.665 -0.268 1
1 234 . 5 1 1 A 42 42 THR H H 42 8.192 8.310 -0.118 1
1 235 . 5 1 1 A 42 42 THR HA H 42 4.171 4.945 -0.774 1
1 240 . 5 1 1 A 43 43 GLY H H 43 8.299 8.759 -0.460 1
1 241 . 5 1 1 A 43 43 GLY HA2 H 43 3.889 4.003 -0.114 1
1 242 . 5 1 1 A 43 43 GLY HA3 H 43 3.889 4.003 -0.114 1
1 2 . 6 1 1 A 2 2 LYS H H 2 8.634 8.355 0.279 1
1 3 . 6 1 1 A 2 2 LYS HA H 2 4.309 4.518 -0.209 1
1 10 . 6 1 1 A 3 3 VAL H H 3 8.358 7.876 0.482 1
1 11 . 6 1 1 A 3 3 VAL HA H 3 3.981 4.104 -0.123 1
1 19 . 6 1 1 A 4 4 CYS H H 4 8.569 7.535 1.034 1
1 20 . 6 1 1 A 4 4 CYS HA H 4 4.580 4.388 0.192 1
1 23 . 6 1 1 A 5 5 ALA H H 5 8.510 8.702 -0.192 1
1 24 . 6 1 1 A 5 5 ALA HA H 5 4.293 4.784 -0.491 1
1 28 . 6 1 1 A 6 6 CYS H H 6 8.262 8.233 0.029 1
1 29 . 6 1 1 A 6 6 CYS HA H 6 4.790 4.639 0.151 1
1 32 . 6 1 1 A 7 7 PRO HA H 7 4.445 4.713 -0.268 1
1 39 . 6 1 1 A 8 8 LYS H H 8 8.581 8.071 0.510 1
1 40 . 6 1 1 A 8 8 LYS HA H 8 4.196 4.356 -0.160 1
1 43 . 6 1 1 A 9 9 ILE H H 9 6.998 7.285 -0.287 1
1 44 . 6 1 1 A 9 9 ILE HA H 9 4.046 4.009 0.037 1
1 53 . 6 1 1 A 10 10 LEU H H 10 8.616 8.463 0.153 1
1 54 . 6 1 1 A 10 10 LEU HA H 10 4.612 4.352 0.260 1
1 64 . 6 1 1 A 11 11 LYS H H 11 8.698 8.272 0.426 1
1 65 . 6 1 1 A 11 11 LYS HA H 11 4.524 4.940 -0.416 1
1 70 . 6 1 1 A 12 12 PRO HA H 12 4.553 4.673 -0.120 1
1 77 . 6 1 1 A 13 13 VAL H H 13 8.273 8.107 0.166 1
1 78 . 6 1 1 A 13 13 VAL HA H 13 4.660 4.786 -0.126 1
1 86 . 6 1 1 A 14 14 CYS H H 14 8.691 8.876 -0.185 1
1 87 . 6 1 1 A 14 14 CYS HA H 14 5.195 5.211 -0.016 1
1 90 . 6 1 1 A 15 15 GLY H H 15 9.670 9.072 0.598 1
1 91 . 6 1 1 A 15 15 GLY HA2 H 15 4.741 4.182 0.559 1
1 92 . 6 1 1 A 15 15 GLY HA3 H 15 4.103 4.300 -0.197 1
1 93 . 6 1 1 A 16 16 SER H H 16 8.986 9.012 -0.026 1
1 94 . 6 1 1 A 16 16 SER HA H 16 3.968 4.127 -0.159 1
1 97 . 6 1 1 A 17 17 ASP H H 17 8.117 7.915 0.202 1
1 98 . 6 1 1 A 17 17 ASP HA H 17 4.504 4.687 -0.183 1
1 101 . 6 1 1 A 18 18 GLY H H 18 8.343 8.311 0.032 1
1 102 . 6 1 1 A 18 18 GLY HA2 H 18 3.687 3.913 -0.226 1
1 103 . 6 1 1 A 18 18 GLY HA3 H 18 4.013 3.918 0.095 1
1 104 . 6 1 1 A 19 19 ARG H H 19 7.461 7.934 -0.473 1
1 105 . 6 1 1 A 19 19 ARG HA H 19 4.386 4.348 0.038 1
1 113 . 6 1 1 A 20 20 THR H H 20 8.285 8.202 0.083 1
1 114 . 6 1 1 A 20 20 THR HA H 20 4.936 5.177 -0.241 1
1 119 . 6 1 1 A 21 21 TYR H H 21 9.145 8.517 0.628 1
1 120 . 6 1 1 A 21 21 TYR HA H 21 4.531 4.891 -0.360 1
1 127 . 6 1 1 A 22 22 ALA H H 22 8.861 8.895 -0.034 1
1 128 . 6 1 1 A 22 22 ALA HA H 22 3.843 4.230 -0.387 1
1 132 . 6 1 1 A 23 23 ASN H H 23 7.100 7.796 -0.696 1
1 133 . 6 1 1 A 23 23 ASN HA H 23 4.910 5.253 -0.343 1
1 138 . 6 1 1 A 24 24 SER H H 24 9.422 8.726 0.696 1
1 139 . 6 1 1 A 24 24 SER HA H 24 3.905 4.072 -0.167 1
1 140 . 6 1 1 A 25 25 CYS H H 25 8.132 8.122 0.010 1
1 141 . 6 1 1 A 25 25 CYS HA H 25 4.110 4.073 0.037 1
1 144 . 6 1 1 A 26 26 ILE H H 26 8.022 8.102 -0.080 1
1 145 . 6 1 1 A 26 26 ILE HA H 26 3.810 3.848 -0.038 1
1 152 . 6 1 1 A 27 27 ALA H H 27 7.326 7.968 -0.642 1
1 153 . 6 1 1 A 27 27 ALA HA H 27 2.798 2.924 -0.126 1
1 157 . 6 1 1 A 28 28 ARG H H 28 7.847 8.100 -0.253 1
1 158 . 6 1 1 A 28 28 ARG HA H 28 3.947 4.150 -0.203 1
1 163 . 6 1 1 A 29 29 CYS H H 29 8.523 7.357 1.166 1
1 164 . 6 1 1 A 29 29 CYS HA H 29 4.128 4.145 -0.017 1
1 167 . 6 1 1 A 30 30 ASN H H 30 7.401 7.570 -0.169 1
1 168 . 6 1 1 A 30 30 ASN HA H 30 4.537 4.719 -0.182 1
1 173 . 6 1 1 A 31 31 GLY H H 31 7.919 8.214 -0.295 1
1 174 . 6 1 1 A 31 31 GLY HA2 H 31 3.731 3.957 -0.226 1
1 175 . 6 1 1 A 31 31 GLY HA3 H 31 3.915 3.966 -0.051 1
1 176 . 6 1 1 A 32 32 VAL H H 32 7.316 7.683 -0.367 1
1 177 . 6 1 1 A 32 32 VAL HA H 32 4.212 4.276 -0.064 1
1 185 . 6 1 1 A 33 33 SER H H 33 8.039 8.761 -0.722 1
1 186 . 6 1 1 A 33 33 SER HA H 33 4.378 4.726 -0.348 1
1 189 . 6 1 1 A 34 34 ILE H H 34 8.555 8.395 0.160 1
1 190 . 6 1 1 A 34 34 ILE HA H 34 3.867 4.277 -0.410 1
1 200 . 6 1 1 A 35 35 LYS H H 35 9.177 9.391 -0.214 1
1 201 . 6 1 1 A 35 35 LYS HA H 35 4.243 4.283 -0.040 1
1 206 . 6 1 1 A 36 36 SER H H 36 7.740 7.483 0.257 1
1 207 . 6 1 1 A 36 36 SER HA H 36 4.496 4.662 -0.166 1
1 210 . 6 1 1 A 37 37 GLU H H 37 8.608 8.631 -0.023 1
1 211 . 6 1 1 A 37 37 GLU HA H 37 4.304 4.417 -0.113 1
1 216 . 6 1 1 A 38 38 GLY H H 38 7.992 8.431 -0.439 1
1 217 . 6 1 1 A 38 38 GLY HA2 H 38 3.481 4.073 -0.592 1
1 218 . 6 1 1 A 38 38 GLY HA3 H 38 4.222 4.076 0.146 1
1 219 . 6 1 1 A 39 39 SER H H 39 7.776 8.527 -0.751 1
1 220 . 6 1 1 A 39 39 SER HA H 39 4.092 4.338 -0.246 1
1 223 . 6 1 1 A 40 40 CYS H H 40 8.398 8.030 0.368 1
1 224 . 6 1 1 A 40 40 CYS HA H 40 4.614 4.817 -0.203 1
1 227 . 6 1 1 A 41 41 PRO HA H 41 4.397 4.337 0.060 1
1 234 . 6 1 1 A 42 42 THR H H 42 8.192 8.533 -0.341 1
1 235 . 6 1 1 A 42 42 THR HA H 42 4.171 3.903 0.268 1
1 240 . 6 1 1 A 43 43 GLY H H 43 8.299 7.936 0.363 1
1 241 . 6 1 1 A 43 43 GLY HA2 H 43 3.889 3.855 0.034 1
1 242 . 6 1 1 A 43 43 GLY HA3 H 43 3.889 3.859 0.030 1
1 2 . 7 1 1 A 2 2 LYS H H 2 8.634 8.504 0.130 1
1 3 . 7 1 1 A 2 2 LYS HA H 2 4.309 4.587 -0.278 1
1 10 . 7 1 1 A 3 3 VAL H H 3 8.358 7.510 0.848 1
1 11 . 7 1 1 A 3 3 VAL HA H 3 3.981 3.979 0.002 1
1 19 . 7 1 1 A 4 4 CYS H H 4 8.569 8.636 -0.067 1
1 20 . 7 1 1 A 4 4 CYS HA H 4 4.580 4.634 -0.054 1
1 23 . 7 1 1 A 5 5 ALA H H 5 8.510 7.624 0.886 1
1 24 . 7 1 1 A 5 5 ALA HA H 5 4.293 4.206 0.087 1
1 28 . 7 1 1 A 6 6 CYS H H 6 8.262 8.595 -0.333 1
1 29 . 7 1 1 A 6 6 CYS HA H 6 4.790 4.578 0.212 1
1 32 . 7 1 1 A 7 7 PRO HA H 7 4.445 4.799 -0.354 1
1 39 . 7 1 1 A 8 8 LYS H H 8 8.581 8.034 0.547 1
1 40 . 7 1 1 A 8 8 LYS HA H 8 4.196 4.523 -0.327 1
1 43 . 7 1 1 A 9 9 ILE H H 9 6.998 7.227 -0.229 1
1 44 . 7 1 1 A 9 9 ILE HA H 9 4.046 4.010 0.036 1
1 53 . 7 1 1 A 10 10 LEU H H 10 8.616 8.455 0.161 1
1 54 . 7 1 1 A 10 10 LEU HA H 10 4.612 4.351 0.261 1
1 64 . 7 1 1 A 11 11 LYS H H 11 8.698 7.769 0.929 1
1 65 . 7 1 1 A 11 11 LYS HA H 11 4.524 4.886 -0.362 1
1 70 . 7 1 1 A 12 12 PRO HA H 12 4.553 4.741 -0.188 1
1 77 . 7 1 1 A 13 13 VAL H H 13 8.273 7.926 0.347 1
1 78 . 7 1 1 A 13 13 VAL HA H 13 4.660 4.804 -0.144 1
1 86 . 7 1 1 A 14 14 CYS H H 14 8.691 8.718 -0.027 1
1 87 . 7 1 1 A 14 14 CYS HA H 14 5.195 5.161 0.034 1
1 90 . 7 1 1 A 15 15 GLY H H 15 9.670 9.124 0.546 1
1 91 . 7 1 1 A 15 15 GLY HA2 H 15 4.741 4.199 0.542 1
1 92 . 7 1 1 A 15 15 GLY HA3 H 15 4.103 4.301 -0.198 1
1 93 . 7 1 1 A 16 16 SER H H 16 8.986 9.207 -0.221 1
1 94 . 7 1 1 A 16 16 SER HA H 16 3.968 4.134 -0.166 1
1 97 . 7 1 1 A 17 17 ASP H H 17 8.117 7.935 0.182 1
1 98 . 7 1 1 A 17 17 ASP HA H 17 4.504 4.589 -0.085 1
1 101 . 7 1 1 A 18 18 GLY H H 18 8.343 8.209 0.134 1
1 102 . 7 1 1 A 18 18 GLY HA2 H 18 3.687 3.917 -0.230 1
1 103 . 7 1 1 A 18 18 GLY HA3 H 18 4.013 3.924 0.089 1
1 104 . 7 1 1 A 19 19 ARG H H 19 7.461 7.532 -0.071 1
1 105 . 7 1 1 A 19 19 ARG HA H 19 4.386 4.200 0.186 1
1 113 . 7 1 1 A 20 20 THR H H 20 8.285 8.289 -0.004 1
1 114 . 7 1 1 A 20 20 THR HA H 20 4.936 5.270 -0.334 1
1 119 . 7 1 1 A 21 21 TYR H H 21 9.145 8.534 0.611 1
1 120 . 7 1 1 A 21 21 TYR HA H 21 4.531 4.921 -0.390 1
1 127 . 7 1 1 A 22 22 ALA H H 22 8.861 8.789 0.072 1
1 128 . 7 1 1 A 22 22 ALA HA H 22 3.843 4.233 -0.390 1
1 132 . 7 1 1 A 23 23 ASN H H 23 7.100 7.768 -0.668 1
1 133 . 7 1 1 A 23 23 ASN HA H 23 4.910 5.211 -0.301 1
1 138 . 7 1 1 A 24 24 SER H H 24 9.422 8.837 0.585 1
1 139 . 7 1 1 A 24 24 SER HA H 24 3.905 4.056 -0.151 1
1 140 . 7 1 1 A 25 25 CYS H H 25 8.132 8.093 0.039 1
1 141 . 7 1 1 A 25 25 CYS HA H 25 4.110 4.040 0.070 1
1 144 . 7 1 1 A 26 26 ILE H H 26 8.022 8.041 -0.019 1
1 145 . 7 1 1 A 26 26 ILE HA H 26 3.810 3.764 0.046 1
1 152 . 7 1 1 A 27 27 ALA H H 27 7.326 8.077 -0.751 1
1 153 . 7 1 1 A 27 27 ALA HA H 27 2.798 2.969 -0.171 1
1 157 . 7 1 1 A 28 28 ARG H H 28 7.847 7.993 -0.146 1
1 158 . 7 1 1 A 28 28 ARG HA H 28 3.947 4.251 -0.304 1
1 163 . 7 1 1 A 29 29 CYS H H 29 8.523 7.813 0.710 1
1 164 . 7 1 1 A 29 29 CYS HA H 29 4.128 4.052 0.076 1
1 167 . 7 1 1 A 30 30 ASN H H 30 7.401 7.590 -0.189 1
1 168 . 7 1 1 A 30 30 ASN HA H 30 4.537 4.721 -0.184 1
1 173 . 7 1 1 A 31 31 GLY H H 31 7.919 8.245 -0.326 1
1 174 . 7 1 1 A 31 31 GLY HA2 H 31 3.731 3.947 -0.216 1
1 175 . 7 1 1 A 31 31 GLY HA3 H 31 3.915 3.955 -0.040 1
1 176 . 7 1 1 A 32 32 VAL H H 32 7.316 7.685 -0.369 1
1 177 . 7 1 1 A 32 32 VAL HA H 32 4.212 4.213 -0.001 1
1 185 . 7 1 1 A 33 33 SER H H 33 8.039 8.616 -0.577 1
1 186 . 7 1 1 A 33 33 SER HA H 33 4.378 4.445 -0.067 1
1 189 . 7 1 1 A 34 34 ILE H H 34 8.555 8.505 0.050 1
1 190 . 7 1 1 A 34 34 ILE HA H 34 3.867 4.730 -0.863 1
1 200 . 7 1 1 A 35 35 LYS H H 35 9.177 8.959 0.218 1
1 201 . 7 1 1 A 35 35 LYS HA H 35 4.243 4.093 0.150 1
1 206 . 7 1 1 A 36 36 SER H H 36 7.740 7.331 0.409 1
1 207 . 7 1 1 A 36 36 SER HA H 36 4.496 4.567 -0.071 1
1 210 . 7 1 1 A 37 37 GLU H H 37 8.608 8.646 -0.038 1
1 211 . 7 1 1 A 37 37 GLU HA H 37 4.304 4.311 -0.007 1
1 216 . 7 1 1 A 38 38 GLY H H 38 7.992 8.069 -0.077 1
1 217 . 7 1 1 A 38 38 GLY HA2 H 38 3.481 4.097 -0.616 1
1 218 . 7 1 1 A 38 38 GLY HA3 H 38 4.222 4.099 0.123 1
1 219 . 7 1 1 A 39 39 SER H H 39 7.776 8.366 -0.590 1
1 220 . 7 1 1 A 39 39 SER HA H 39 4.092 4.344 -0.252 1
1 223 . 7 1 1 A 40 40 CYS H H 40 8.398 8.060 0.338 1
1 224 . 7 1 1 A 40 40 CYS HA H 40 4.614 4.873 -0.259 1
1 227 . 7 1 1 A 41 41 PRO HA H 41 4.397 4.328 0.069 1
1 234 . 7 1 1 A 42 42 THR H H 42 8.192 8.413 -0.221 1
1 235 . 7 1 1 A 42 42 THR HA H 42 4.171 3.963 0.208 1
1 240 . 7 1 1 A 43 43 GLY H H 43 8.299 8.132 0.167 1
1 241 . 7 1 1 A 43 43 GLY HA2 H 43 3.889 3.939 -0.050 1
1 242 . 7 1 1 A 43 43 GLY HA3 H 43 3.889 3.939 -0.050 1
1 2 . 8 1 1 A 2 2 LYS H H 2 8.634 8.347 0.287 1
1 3 . 8 1 1 A 2 2 LYS HA H 2 4.309 4.877 -0.568 1
1 10 . 8 1 1 A 3 3 VAL H H 3 8.358 8.639 -0.281 1
1 11 . 8 1 1 A 3 3 VAL HA H 3 3.981 4.128 -0.147 1
1 19 . 8 1 1 A 4 4 CYS H H 4 8.569 7.719 0.850 1
1 20 . 8 1 1 A 4 4 CYS HA H 4 4.580 4.787 -0.207 1
1 23 . 8 1 1 A 5 5 ALA H H 5 8.510 8.566 -0.056 1
1 24 . 8 1 1 A 5 5 ALA HA H 5 4.293 4.101 0.192 1
1 28 . 8 1 1 A 6 6 CYS H H 6 8.262 7.889 0.373 1
1 29 . 8 1 1 A 6 6 CYS HA H 6 4.790 4.673 0.117 1
1 32 . 8 1 1 A 7 7 PRO HA H 7 4.445 4.690 -0.245 1
1 39 . 8 1 1 A 8 8 LYS H H 8 8.581 8.273 0.308 1
1 40 . 8 1 1 A 8 8 LYS HA H 8 4.196 4.066 0.130 1
1 43 . 8 1 1 A 9 9 ILE H H 9 6.998 7.350 -0.352 1
1 44 . 8 1 1 A 9 9 ILE HA H 9 4.046 4.004 0.042 1
1 53 . 8 1 1 A 10 10 LEU H H 10 8.616 8.681 -0.065 1
1 54 . 8 1 1 A 10 10 LEU HA H 10 4.612 4.636 -0.024 1
1 64 . 8 1 1 A 11 11 LYS H H 11 8.698 7.895 0.803 1
1 65 . 8 1 1 A 11 11 LYS HA H 11 4.524 4.944 -0.420 1
1 70 . 8 1 1 A 12 12 PRO HA H 12 4.553 4.709 -0.156 1
1 77 . 8 1 1 A 13 13 VAL H H 13 8.273 8.061 0.212 1
1 78 . 8 1 1 A 13 13 VAL HA H 13 4.660 4.799 -0.139 1
1 86 . 8 1 1 A 14 14 CYS H H 14 8.691 8.878 -0.187 1
1 87 . 8 1 1 A 14 14 CYS HA H 14 5.195 5.298 -0.103 1
1 90 . 8 1 1 A 15 15 GLY H H 15 9.670 9.064 0.606 1
1 91 . 8 1 1 A 15 15 GLY HA2 H 15 4.741 4.174 0.567 1
1 92 . 8 1 1 A 15 15 GLY HA3 H 15 4.103 4.263 -0.160 1
1 93 . 8 1 1 A 16 16 SER H H 16 8.986 8.909 0.077 1
1 94 . 8 1 1 A 16 16 SER HA H 16 3.968 4.316 -0.348 1
1 97 . 8 1 1 A 17 17 ASP H H 17 8.117 7.865 0.252 1
1 98 . 8 1 1 A 17 17 ASP HA H 17 4.504 4.679 -0.175 1
1 101 . 8 1 1 A 18 18 GLY H H 18 8.343 8.686 -0.343 1
1 102 . 8 1 1 A 18 18 GLY HA2 H 18 3.687 3.870 -0.183 1
1 103 . 8 1 1 A 18 18 GLY HA3 H 18 4.013 3.873 0.140 1
1 104 . 8 1 1 A 19 19 ARG H H 19 7.461 7.641 -0.180 1
1 105 . 8 1 1 A 19 19 ARG HA H 19 4.386 4.645 -0.259 1
1 113 . 8 1 1 A 20 20 THR H H 20 8.285 8.262 0.023 1
1 114 . 8 1 1 A 20 20 THR HA H 20 4.936 5.263 -0.327 1
1 119 . 8 1 1 A 21 21 TYR H H 21 9.145 8.465 0.680 1
1 120 . 8 1 1 A 21 21 TYR HA H 21 4.531 4.901 -0.370 1
1 127 . 8 1 1 A 22 22 ALA H H 22 8.861 8.858 0.003 1
1 128 . 8 1 1 A 22 22 ALA HA H 22 3.843 4.240 -0.397 1
1 132 . 8 1 1 A 23 23 ASN H H 23 7.100 7.829 -0.729 1
1 133 . 8 1 1 A 23 23 ASN HA H 23 4.910 5.320 -0.410 1
1 138 . 8 1 1 A 24 24 SER H H 24 9.422 8.769 0.653 1
1 139 . 8 1 1 A 24 24 SER HA H 24 3.905 4.078 -0.173 1
1 140 . 8 1 1 A 25 25 CYS H H 25 8.132 8.075 0.057 1
1 141 . 8 1 1 A 25 25 CYS HA H 25 4.110 4.105 0.005 1
1 144 . 8 1 1 A 26 26 ILE H H 26 8.022 8.086 -0.064 1
1 145 . 8 1 1 A 26 26 ILE HA H 26 3.810 3.862 -0.052 1
1 152 . 8 1 1 A 27 27 ALA H H 27 7.326 7.979 -0.653 1
1 153 . 8 1 1 A 27 27 ALA HA H 27 2.798 3.085 -0.287 1
1 157 . 8 1 1 A 28 28 ARG H H 28 7.847 8.235 -0.388 1
1 158 . 8 1 1 A 28 28 ARG HA H 28 3.947 4.228 -0.281 1
1 163 . 8 1 1 A 29 29 CYS H H 29 8.523 7.828 0.695 1
1 164 . 8 1 1 A 29 29 CYS HA H 29 4.128 4.091 0.037 1
1 167 . 8 1 1 A 30 30 ASN H H 30 7.401 7.702 -0.301 1
1 168 . 8 1 1 A 30 30 ASN HA H 30 4.537 4.707 -0.170 1
1 173 . 8 1 1 A 31 31 GLY H H 31 7.919 8.997 -1.078 1
1 174 . 8 1 1 A 31 31 GLY HA2 H 31 3.731 3.867 -0.136 1
1 175 . 8 1 1 A 31 31 GLY HA3 H 31 3.915 3.874 0.041 1
1 176 . 8 1 1 A 32 32 VAL H H 32 7.316 7.679 -0.363 1
1 177 . 8 1 1 A 32 32 VAL HA H 32 4.212 4.645 -0.433 1
1 185 . 8 1 1 A 33 33 SER H H 33 8.039 8.747 -0.708 1
1 186 . 8 1 1 A 33 33 SER HA H 33 4.378 4.798 -0.420 1
1 189 . 8 1 1 A 34 34 ILE H H 34 8.555 8.374 0.181 1
1 190 . 8 1 1 A 34 34 ILE HA H 34 3.867 4.271 -0.404 1
1 200 . 8 1 1 A 35 35 LYS H H 35 9.177 9.231 -0.054 1
1 201 . 8 1 1 A 35 35 LYS HA H 35 4.243 4.213 0.030 1
1 206 . 8 1 1 A 36 36 SER H H 36 7.740 7.646 0.094 1
1 207 . 8 1 1 A 36 36 SER HA H 36 4.496 5.021 -0.525 1
1 210 . 8 1 1 A 37 37 GLU H H 37 8.608 8.659 -0.051 1
1 211 . 8 1 1 A 37 37 GLU HA H 37 4.304 4.459 -0.155 1
1 216 . 8 1 1 A 38 38 GLY H H 38 7.992 8.412 -0.420 1
1 217 . 8 1 1 A 38 38 GLY HA2 H 38 3.481 4.081 -0.600 1
1 218 . 8 1 1 A 38 38 GLY HA3 H 38 4.222 4.084 0.138 1
1 219 . 8 1 1 A 39 39 SER H H 39 7.776 8.529 -0.753 1
1 220 . 8 1 1 A 39 39 SER HA H 39 4.092 4.338 -0.246 1
1 223 . 8 1 1 A 40 40 CYS H H 40 8.398 7.855 0.543 1
1 224 . 8 1 1 A 40 40 CYS HA H 40 4.614 4.754 -0.140 1
1 227 . 8 1 1 A 41 41 PRO HA H 41 4.397 4.695 -0.298 1
1 234 . 8 1 1 A 42 42 THR H H 42 8.192 8.537 -0.345 1
1 235 . 8 1 1 A 42 42 THR HA H 42 4.171 4.075 0.096 1
1 240 . 8 1 1 A 43 43 GLY H H 43 8.299 8.554 -0.255 1
1 241 . 8 1 1 A 43 43 GLY HA2 H 43 3.889 3.788 0.101 1
1 242 . 8 1 1 A 43 43 GLY HA3 H 43 3.889 3.789 0.100 1
1 2 . 9 1 1 A 2 2 LYS H H 2 8.634 8.198 0.436 1
1 3 . 9 1 1 A 2 2 LYS HA H 2 4.309 4.332 -0.023 1
1 10 . 9 1 1 A 3 3 VAL H H 3 8.358 7.401 0.957 1
1 11 . 9 1 1 A 3 3 VAL HA H 3 3.981 3.977 0.004 1
1 19 . 9 1 1 A 4 4 CYS H H 4 8.569 8.713 -0.144 1
1 20 . 9 1 1 A 4 4 CYS HA H 4 4.580 4.709 -0.129 1
1 23 . 9 1 1 A 5 5 ALA H H 5 8.510 7.685 0.825 1
1 24 . 9 1 1 A 5 5 ALA HA H 5 4.293 4.213 0.080 1
1 28 . 9 1 1 A 6 6 CYS H H 6 8.262 7.967 0.295 1
1 29 . 9 1 1 A 6 6 CYS HA H 6 4.790 4.647 0.143 1
1 32 . 9 1 1 A 7 7 PRO HA H 7 4.445 4.736 -0.291 1
1 39 . 9 1 1 A 8 8 LYS H H 8 8.581 8.547 0.034 1
1 40 . 9 1 1 A 8 8 LYS HA H 8 4.196 4.439 -0.243 1
1 43 . 9 1 1 A 9 9 ILE H H 9 6.998 7.212 -0.214 1
1 44 . 9 1 1 A 9 9 ILE HA H 9 4.046 3.967 0.079 1
1 53 . 9 1 1 A 10 10 LEU H H 10 8.616 8.715 -0.099 1
1 54 . 9 1 1 A 10 10 LEU HA H 10 4.612 4.507 0.105 1
1 64 . 9 1 1 A 11 11 LYS H H 11 8.698 8.133 0.565 1
1 65 . 9 1 1 A 11 11 LYS HA H 11 4.524 4.912 -0.388 1
1 70 . 9 1 1 A 12 12 PRO HA H 12 4.553 4.902 -0.349 1
1 77 . 9 1 1 A 13 13 VAL H H 13 8.273 8.247 0.026 1
1 78 . 9 1 1 A 13 13 VAL HA H 13 4.660 4.774 -0.114 1
1 86 . 9 1 1 A 14 14 CYS H H 14 8.691 8.797 -0.106 1
1 87 . 9 1 1 A 14 14 CYS HA H 14 5.195 5.067 0.128 1
1 90 . 9 1 1 A 15 15 GLY H H 15 9.670 9.138 0.532 1
1 91 . 9 1 1 A 15 15 GLY HA2 H 15 4.741 4.204 0.537 1
1 92 . 9 1 1 A 15 15 GLY HA3 H 15 4.103 4.334 -0.231 1
1 93 . 9 1 1 A 16 16 SER H H 16 8.986 8.967 0.019 1
1 94 . 9 1 1 A 16 16 SER HA H 16 3.968 4.117 -0.149 1
1 97 . 9 1 1 A 17 17 ASP H H 17 8.117 8.024 0.093 1
1 98 . 9 1 1 A 17 17 ASP HA H 17 4.504 4.647 -0.143 1
1 101 . 9 1 1 A 18 18 GLY H H 18 8.343 8.273 0.070 1
1 102 . 9 1 1 A 18 18 GLY HA2 H 18 3.687 3.888 -0.201 1
1 103 . 9 1 1 A 18 18 GLY HA3 H 18 4.013 3.892 0.121 1
1 104 . 9 1 1 A 19 19 ARG H H 19 7.461 7.707 -0.246 1
1 105 . 9 1 1 A 19 19 ARG HA H 19 4.386 4.304 0.082 1
1 113 . 9 1 1 A 20 20 THR H H 20 8.285 8.243 0.042 1
1 114 . 9 1 1 A 20 20 THR HA H 20 4.936 5.176 -0.240 1
1 119 . 9 1 1 A 21 21 TYR H H 21 9.145 8.585 0.560 1
1 120 . 9 1 1 A 21 21 TYR HA H 21 4.531 4.885 -0.354 1
1 127 . 9 1 1 A 22 22 ALA H H 22 8.861 8.841 0.020 1
1 128 . 9 1 1 A 22 22 ALA HA H 22 3.843 4.219 -0.376 1
1 132 . 9 1 1 A 23 23 ASN H H 23 7.100 7.780 -0.680 1
1 133 . 9 1 1 A 23 23 ASN HA H 23 4.910 5.176 -0.266 1
1 138 . 9 1 1 A 24 24 SER H H 24 9.422 8.958 0.464 1
1 139 . 9 1 1 A 24 24 SER HA H 24 3.905 4.064 -0.159 1
1 140 . 9 1 1 A 25 25 CYS H H 25 8.132 8.110 0.022 1
1 141 . 9 1 1 A 25 25 CYS HA H 25 4.110 4.075 0.035 1
1 144 . 9 1 1 A 26 26 ILE H H 26 8.022 8.142 -0.120 1
1 145 . 9 1 1 A 26 26 ILE HA H 26 3.810 3.789 0.021 1
1 152 . 9 1 1 A 27 27 ALA H H 27 7.326 8.211 -0.885 1
1 153 . 9 1 1 A 27 27 ALA HA H 27 2.798 3.123 -0.325 1
1 157 . 9 1 1 A 28 28 ARG H H 28 7.847 7.883 -0.036 1
1 158 . 9 1 1 A 28 28 ARG HA H 28 3.947 4.067 -0.120 1
1 163 . 9 1 1 A 29 29 CYS H H 29 8.523 7.771 0.752 1
1 164 . 9 1 1 A 29 29 CYS HA H 29 4.128 4.159 -0.031 1
1 167 . 9 1 1 A 30 30 ASN H H 30 7.401 8.070 -0.669 1
1 168 . 9 1 1 A 30 30 ASN HA H 30 4.537 4.622 -0.085 1
1 173 . 9 1 1 A 31 31 GLY H H 31 7.919 7.627 0.292 1
1 174 . 9 1 1 A 31 31 GLY HA2 H 31 3.731 3.983 -0.252 1
1 175 . 9 1 1 A 31 31 GLY HA3 H 31 3.915 3.995 -0.080 1
1 176 . 9 1 1 A 32 32 VAL H H 32 7.316 7.282 0.034 1
1 177 . 9 1 1 A 32 32 VAL HA H 32 4.212 4.629 -0.417 1
1 185 . 9 1 1 A 33 33 SER H H 33 8.039 8.822 -0.783 1
1 186 . 9 1 1 A 33 33 SER HA H 33 4.378 4.705 -0.327 1
1 189 . 9 1 1 A 34 34 ILE H H 34 8.555 8.342 0.213 1
1 190 . 9 1 1 A 34 34 ILE HA H 34 3.867 4.106 -0.239 1
1 200 . 9 1 1 A 35 35 LYS H H 35 9.177 9.136 0.041 1
1 201 . 9 1 1 A 35 35 LYS HA H 35 4.243 4.281 -0.038 1
1 206 . 9 1 1 A 36 36 SER H H 36 7.740 7.742 -0.002 1
1 207 . 9 1 1 A 36 36 SER HA H 36 4.496 4.895 -0.399 1
1 210 . 9 1 1 A 37 37 GLU H H 37 8.608 8.598 0.010 1
1 211 . 9 1 1 A 37 37 GLU HA H 37 4.304 4.413 -0.109 1
1 216 . 9 1 1 A 38 38 GLY H H 38 7.992 8.305 -0.313 1
1 217 . 9 1 1 A 38 38 GLY HA2 H 38 3.481 4.088 -0.607 1
1 218 . 9 1 1 A 38 38 GLY HA3 H 38 4.222 4.090 0.132 1
1 219 . 9 1 1 A 39 39 SER H H 39 7.776 8.538 -0.762 1
1 220 . 9 1 1 A 39 39 SER HA H 39 4.092 4.333 -0.241 1
1 223 . 9 1 1 A 40 40 CYS H H 40 8.398 7.990 0.408 1
1 224 . 9 1 1 A 40 40 CYS HA H 40 4.614 4.760 -0.146 1
1 227 . 9 1 1 A 41 41 PRO HA H 41 4.397 4.663 -0.266 1
1 234 . 9 1 1 A 42 42 THR H H 42 8.192 8.679 -0.487 1
1 235 . 9 1 1 A 42 42 THR HA H 42 4.171 4.512 -0.341 1
1 240 . 9 1 1 A 43 43 GLY H H 43 8.299 7.810 0.489 1
1 241 . 9 1 1 A 43 43 GLY HA2 H 43 3.889 4.133 -0.244 1
1 242 . 9 1 1 A 43 43 GLY HA3 H 43 3.889 4.134 -0.245 1
1 2 . 10 1 1 A 2 2 LYS H H 2 8.634 8.776 -0.142 1
1 3 . 10 1 1 A 2 2 LYS HA H 2 4.309 4.503 -0.194 1
1 10 . 10 1 1 A 3 3 VAL H H 3 8.358 7.719 0.639 1
1 11 . 10 1 1 A 3 3 VAL HA H 3 3.981 3.965 0.016 1
1 19 . 10 1 1 A 4 4 CYS H H 4 8.569 8.780 -0.211 1
1 20 . 10 1 1 A 4 4 CYS HA H 4 4.580 4.624 -0.044 1
1 23 . 10 1 1 A 5 5 ALA H H 5 8.510 7.652 0.858 1
1 24 . 10 1 1 A 5 5 ALA HA H 5 4.293 4.412 -0.119 1
1 28 . 10 1 1 A 6 6 CYS H H 6 8.262 8.434 -0.172 1
1 29 . 10 1 1 A 6 6 CYS HA H 6 4.790 4.668 0.122 1
1 32 . 10 1 1 A 7 7 PRO HA H 7 4.445 4.707 -0.262 1
1 39 . 10 1 1 A 8 8 LYS H H 8 8.581 8.246 0.335 1
1 40 . 10 1 1 A 8 8 LYS HA H 8 4.196 4.136 0.060 1
1 43 . 10 1 1 A 9 9 ILE H H 9 6.998 7.349 -0.351 1
1 44 . 10 1 1 A 9 9 ILE HA H 9 4.046 3.968 0.078 1
1 53 . 10 1 1 A 10 10 LEU H H 10 8.616 8.508 0.108 1
1 54 . 10 1 1 A 10 10 LEU HA H 10 4.612 4.512 0.100 1
1 64 . 10 1 1 A 11 11 LYS H H 11 8.698 8.049 0.649 1
1 65 . 10 1 1 A 11 11 LYS HA H 11 4.524 4.913 -0.389 1
1 70 . 10 1 1 A 12 12 PRO HA H 12 4.553 4.711 -0.158 1
1 77 . 10 1 1 A 13 13 VAL H H 13 8.273 7.927 0.346 1
1 78 . 10 1 1 A 13 13 VAL HA H 13 4.660 4.818 -0.158 1
1 86 . 10 1 1 A 14 14 CYS H H 14 8.691 8.694 -0.003 1
1 87 . 10 1 1 A 14 14 CYS HA H 14 5.195 4.969 0.226 1
1 90 . 10 1 1 A 15 15 GLY H H 15 9.670 9.171 0.499 1
1 91 . 10 1 1 A 15 15 GLY HA2 H 15 4.741 4.180 0.561 1
1 92 . 10 1 1 A 15 15 GLY HA3 H 15 4.103 4.292 -0.189 1
1 93 . 10 1 1 A 16 16 SER H H 16 8.986 9.143 -0.157 1
1 94 . 10 1 1 A 16 16 SER HA H 16 3.968 4.178 -0.210 1
1 97 . 10 1 1 A 17 17 ASP H H 17 8.117 7.863 0.254 1
1 98 . 10 1 1 A 17 17 ASP HA H 17 4.504 4.713 -0.209 1
1 101 . 10 1 1 A 18 18 GLY H H 18 8.343 8.208 0.135 1
1 102 . 10 1 1 A 18 18 GLY HA2 H 18 3.687 3.893 -0.206 1
1 103 . 10 1 1 A 18 18 GLY HA3 H 18 4.013 3.897 0.116 1
1 104 . 10 1 1 A 19 19 ARG H H 19 7.461 7.717 -0.256 1
1 105 . 10 1 1 A 19 19 ARG HA H 19 4.386 4.588 -0.202 1
1 113 . 10 1 1 A 20 20 THR H H 20 8.285 8.223 0.062 1
1 114 . 10 1 1 A 20 20 THR HA H 20 4.936 5.130 -0.194 1
1 119 . 10 1 1 A 21 21 TYR H H 21 9.145 8.346 0.799 1
1 120 . 10 1 1 A 21 21 TYR HA H 21 4.531 4.895 -0.364 1
1 127 . 10 1 1 A 22 22 ALA H H 22 8.861 8.875 -0.014 1
1 128 . 10 1 1 A 22 22 ALA HA H 22 3.843 4.239 -0.396 1
1 132 . 10 1 1 A 23 23 ASN H H 23 7.100 7.704 -0.604 1
1 133 . 10 1 1 A 23 23 ASN HA H 23 4.910 5.253 -0.343 1
1 138 . 10 1 1 A 24 24 SER H H 24 9.422 8.739 0.683 1
1 139 . 10 1 1 A 24 24 SER HA H 24 3.905 4.092 -0.187 1
1 140 . 10 1 1 A 25 25 CYS H H 25 8.132 8.093 0.039 1
1 141 . 10 1 1 A 25 25 CYS HA H 25 4.110 4.070 0.040 1
1 144 . 10 1 1 A 26 26 ILE H H 26 8.022 8.112 -0.090 1
1 145 . 10 1 1 A 26 26 ILE HA H 26 3.810 3.776 0.034 1
1 152 . 10 1 1 A 27 27 ALA H H 27 7.326 8.101 -0.775 1
1 153 . 10 1 1 A 27 27 ALA HA H 27 2.798 2.998 -0.200 1
1 157 . 10 1 1 A 28 28 ARG H H 28 7.847 8.126 -0.279 1
1 158 . 10 1 1 A 28 28 ARG HA H 28 3.947 4.128 -0.181 1
1 163 . 10 1 1 A 29 29 CYS H H 29 8.523 7.911 0.612 1
1 164 . 10 1 1 A 29 29 CYS HA H 29 4.128 4.215 -0.087 1
1 167 . 10 1 1 A 30 30 ASN H H 30 7.401 7.790 -0.389 1
1 168 . 10 1 1 A 30 30 ASN HA H 30 4.537 4.727 -0.190 1
1 173 . 10 1 1 A 31 31 GLY H H 31 7.919 8.124 -0.205 1
1 174 . 10 1 1 A 31 31 GLY HA2 H 31 3.731 3.939 -0.208 1
1 175 . 10 1 1 A 31 31 GLY HA3 H 31 3.915 3.948 -0.033 1
1 176 . 10 1 1 A 32 32 VAL H H 32 7.316 7.685 -0.369 1
1 177 . 10 1 1 A 32 32 VAL HA H 32 4.212 4.371 -0.159 1
1 185 . 10 1 1 A 33 33 SER H H 33 8.039 8.864 -0.825 1
1 186 . 10 1 1 A 33 33 SER HA H 33 4.378 4.688 -0.310 1
1 189 . 10 1 1 A 34 34 ILE H H 34 8.555 8.359 0.196 1
1 190 . 10 1 1 A 34 34 ILE HA H 34 3.867 4.243 -0.376 1
1 200 . 10 1 1 A 35 35 LYS H H 35 9.177 9.374 -0.197 1
1 201 . 10 1 1 A 35 35 LYS HA H 35 4.243 4.351 -0.108 1
1 206 . 10 1 1 A 36 36 SER H H 36 7.740 7.607 0.133 1
1 207 . 10 1 1 A 36 36 SER HA H 36 4.496 4.789 -0.293 1
1 210 . 10 1 1 A 37 37 GLU H H 37 8.608 8.614 -0.006 1
1 211 . 10 1 1 A 37 37 GLU HA H 37 4.304 4.296 0.008 1
1 216 . 10 1 1 A 38 38 GLY H H 38 7.992 8.347 -0.355 1
1 217 . 10 1 1 A 38 38 GLY HA2 H 38 3.481 4.079 -0.598 1
1 218 . 10 1 1 A 38 38 GLY HA3 H 38 4.222 4.081 0.141 1
1 219 . 10 1 1 A 39 39 SER H H 39 7.776 8.339 -0.563 1
1 220 . 10 1 1 A 39 39 SER HA H 39 4.092 4.329 -0.237 1
1 223 . 10 1 1 A 40 40 CYS H H 40 8.398 8.075 0.323 1
1 224 . 10 1 1 A 40 40 CYS HA H 40 4.614 4.953 -0.339 1
1 227 . 10 1 1 A 41 41 PRO HA H 41 4.397 4.633 -0.236 1
1 234 . 10 1 1 A 42 42 THR H H 42 8.192 8.737 -0.545 1
1 235 . 10 1 1 A 42 42 THR HA H 42 4.171 4.202 -0.031 1
1 240 . 10 1 1 A 43 43 GLY H H 43 8.299 7.833 0.466 1
1 241 . 10 1 1 A 43 43 GLY HA2 H 43 3.889 4.025 -0.136 1
1 242 . 10 1 1 A 43 43 GLY HA3 H 43 3.889 4.025 -0.136 1
1 2 . 11 1 1 A 2 2 LYS H H 2 8.634 8.836 -0.202 1
1 3 . 11 1 1 A 2 2 LYS HA H 2 4.309 4.903 -0.594 1
1 10 . 11 1 1 A 3 3 VAL H H 3 8.358 8.776 -0.418 1
1 11 . 11 1 1 A 3 3 VAL HA H 3 3.981 4.141 -0.160 1
1 19 . 11 1 1 A 4 4 CYS H H 4 8.569 8.751 -0.182 1
1 20 . 11 1 1 A 4 4 CYS HA H 4 4.580 4.697 -0.117 1
1 23 . 11 1 1 A 5 5 ALA H H 5 8.510 7.797 0.713 1
1 24 . 11 1 1 A 5 5 ALA HA H 5 4.293 4.164 0.129 1
1 28 . 11 1 1 A 6 6 CYS H H 6 8.262 8.631 -0.369 1
1 29 . 11 1 1 A 6 6 CYS HA H 6 4.790 4.611 0.179 1
1 32 . 11 1 1 A 7 7 PRO HA H 7 4.445 4.676 -0.231 1
1 39 . 11 1 1 A 8 8 LYS H H 8 8.581 8.265 0.316 1
1 40 . 11 1 1 A 8 8 LYS HA H 8 4.196 4.117 0.079 1
1 43 . 11 1 1 A 9 9 ILE H H 9 6.998 7.383 -0.385 1
1 44 . 11 1 1 A 9 9 ILE HA H 9 4.046 3.969 0.077 1
1 53 . 11 1 1 A 10 10 LEU H H 10 8.616 8.697 -0.081 1
1 54 . 11 1 1 A 10 10 LEU HA H 10 4.612 4.634 -0.022 1
1 64 . 11 1 1 A 11 11 LYS H H 11 8.698 8.380 0.318 1
1 65 . 11 1 1 A 11 11 LYS HA H 11 4.524 4.875 -0.351 1
1 70 . 11 1 1 A 12 12 PRO HA H 12 4.553 4.675 -0.122 1
1 77 . 11 1 1 A 13 13 VAL H H 13 8.273 8.191 0.082 1
1 78 . 11 1 1 A 13 13 VAL HA H 13 4.660 4.836 -0.176 1
1 86 . 11 1 1 A 14 14 CYS H H 14 8.691 8.919 -0.228 1
1 87 . 11 1 1 A 14 14 CYS HA H 14 5.195 5.303 -0.108 1
1 90 . 11 1 1 A 15 15 GLY H H 15 9.670 9.170 0.500 1
1 91 . 11 1 1 A 15 15 GLY HA2 H 15 4.741 4.199 0.542 1
1 92 . 11 1 1 A 15 15 GLY HA3 H 15 4.103 4.331 -0.228 1
1 93 . 11 1 1 A 16 16 SER H H 16 8.986 8.893 0.093 1
1 94 . 11 1 1 A 16 16 SER HA H 16 3.968 4.198 -0.230 1
1 97 . 11 1 1 A 17 17 ASP H H 17 8.117 7.905 0.212 1
1 98 . 11 1 1 A 17 17 ASP HA H 17 4.504 4.686 -0.182 1
1 101 . 11 1 1 A 18 18 GLY H H 18 8.343 8.241 0.102 1
1 102 . 11 1 1 A 18 18 GLY HA2 H 18 3.687 3.907 -0.220 1
1 103 . 11 1 1 A 18 18 GLY HA3 H 18 4.013 3.911 0.102 1
1 104 . 11 1 1 A 19 19 ARG H H 19 7.461 7.897 -0.436 1
1 105 . 11 1 1 A 19 19 ARG HA H 19 4.386 4.366 0.020 1
1 113 . 11 1 1 A 20 20 THR H H 20 8.285 8.125 0.160 1
1 114 . 11 1 1 A 20 20 THR HA H 20 4.936 5.152 -0.216 1
1 119 . 11 1 1 A 21 21 TYR H H 21 9.145 8.513 0.632 1
1 120 . 11 1 1 A 21 21 TYR HA H 21 4.531 4.907 -0.376 1
1 127 . 11 1 1 A 22 22 ALA H H 22 8.861 8.902 -0.041 1
1 128 . 11 1 1 A 22 22 ALA HA H 22 3.843 4.231 -0.388 1
1 132 . 11 1 1 A 23 23 ASN H H 23 7.100 7.786 -0.686 1
1 133 . 11 1 1 A 23 23 ASN HA H 23 4.910 5.269 -0.359 1
1 138 . 11 1 1 A 24 24 SER H H 24 9.422 8.727 0.695 1
1 139 . 11 1 1 A 24 24 SER HA H 24 3.905 4.084 -0.179 1
1 140 . 11 1 1 A 25 25 CYS H H 25 8.132 8.082 0.050 1
1 141 . 11 1 1 A 25 25 CYS HA H 25 4.110 4.112 -0.002 1
1 144 . 11 1 1 A 26 26 ILE H H 26 8.022 8.223 -0.201 1
1 145 . 11 1 1 A 26 26 ILE HA H 26 3.810 3.853 -0.043 1
1 152 . 11 1 1 A 27 27 ALA H H 27 7.326 8.090 -0.764 1
1 153 . 11 1 1 A 27 27 ALA HA H 27 2.798 3.182 -0.384 1
1 157 . 11 1 1 A 28 28 ARG H H 28 7.847 8.144 -0.297 1
1 158 . 11 1 1 A 28 28 ARG HA H 28 3.947 4.206 -0.259 1
1 163 . 11 1 1 A 29 29 CYS H H 29 8.523 7.445 1.078 1
1 164 . 11 1 1 A 29 29 CYS HA H 29 4.128 4.093 0.035 1
1 167 . 11 1 1 A 30 30 ASN H H 30 7.401 7.679 -0.278 1
1 168 . 11 1 1 A 30 30 ASN HA H 30 4.537 4.628 -0.091 1
1 173 . 11 1 1 A 31 31 GLY H H 31 7.919 8.253 -0.334 1
1 174 . 11 1 1 A 31 31 GLY HA2 H 31 3.731 3.945 -0.214 1
1 175 . 11 1 1 A 31 31 GLY HA3 H 31 3.915 3.951 -0.036 1
1 176 . 11 1 1 A 32 32 VAL H H 32 7.316 7.729 -0.413 1
1 177 . 11 1 1 A 32 32 VAL HA H 32 4.212 4.378 -0.166 1
1 185 . 11 1 1 A 33 33 SER H H 33 8.039 8.820 -0.781 1
1 186 . 11 1 1 A 33 33 SER HA H 33 4.378 4.698 -0.320 1
1 189 . 11 1 1 A 34 34 ILE H H 34 8.555 8.396 0.159 1
1 190 . 11 1 1 A 34 34 ILE HA H 34 3.867 4.267 -0.400 1
1 200 . 11 1 1 A 35 35 LYS H H 35 9.177 9.245 -0.068 1
1 201 . 11 1 1 A 35 35 LYS HA H 35 4.243 4.215 0.028 1
1 206 . 11 1 1 A 36 36 SER H H 36 7.740 7.593 0.147 1
1 207 . 11 1 1 A 36 36 SER HA H 36 4.496 4.759 -0.263 1
1 210 . 11 1 1 A 37 37 GLU H H 37 8.608 8.615 -0.007 1
1 211 . 11 1 1 A 37 37 GLU HA H 37 4.304 4.363 -0.059 1
1 216 . 11 1 1 A 38 38 GLY H H 38 7.992 8.459 -0.467 1
1 217 . 11 1 1 A 38 38 GLY HA2 H 38 3.481 4.078 -0.597 1
1 218 . 11 1 1 A 38 38 GLY HA3 H 38 4.222 4.080 0.142 1
1 219 . 11 1 1 A 39 39 SER H H 39 7.776 8.282 -0.506 1
1 220 . 11 1 1 A 39 39 SER HA H 39 4.092 4.412 -0.320 1
1 223 . 11 1 1 A 40 40 CYS H H 40 8.398 8.032 0.366 1
1 224 . 11 1 1 A 40 40 CYS HA H 40 4.614 5.004 -0.390 1
1 227 . 11 1 1 A 41 41 PRO HA H 41 4.397 4.712 -0.315 1
1 234 . 11 1 1 A 42 42 THR H H 42 8.192 8.694 -0.502 1
1 235 . 11 1 1 A 42 42 THR HA H 42 4.171 4.158 0.013 1
1 240 . 11 1 1 A 43 43 GLY H H 43 8.299 7.757 0.542 1
1 241 . 11 1 1 A 43 43 GLY HA2 H 43 3.889 4.041 -0.152 1
1 242 . 11 1 1 A 43 43 GLY HA3 H 43 3.889 4.041 -0.152 1
1 2 . 12 1 1 A 2 2 LYS H H 2 8.634 8.665 -0.031 1
1 3 . 12 1 1 A 2 2 LYS HA H 2 4.309 4.884 -0.575 1
1 10 . 12 1 1 A 3 3 VAL H H 3 8.358 8.483 -0.125 1
1 11 . 12 1 1 A 3 3 VAL HA H 3 3.981 4.092 -0.111 1
1 19 . 12 1 1 A 4 4 CYS H H 4 8.569 8.771 -0.202 1
1 20 . 12 1 1 A 4 4 CYS HA H 4 4.580 5.155 -0.575 1
1 23 . 12 1 1 A 5 5 ALA H H 5 8.510 8.630 -0.120 1
1 24 . 12 1 1 A 5 5 ALA HA H 5 4.293 4.710 -0.417 1
1 28 . 12 1 1 A 6 6 CYS H H 6 8.262 8.329 -0.067 1
1 29 . 12 1 1 A 6 6 CYS HA H 6 4.790 4.594 0.196 1
1 32 . 12 1 1 A 7 7 PRO HA H 7 4.445 4.625 -0.180 1
1 39 . 12 1 1 A 8 8 LYS H H 8 8.581 8.450 0.131 1
1 40 . 12 1 1 A 8 8 LYS HA H 8 4.196 4.477 -0.281 1
1 43 . 12 1 1 A 9 9 ILE H H 9 6.998 7.234 -0.236 1
1 44 . 12 1 1 A 9 9 ILE HA H 9 4.046 4.041 0.005 1
1 53 . 12 1 1 A 10 10 LEU H H 10 8.616 8.378 0.238 1
1 54 . 12 1 1 A 10 10 LEU HA H 10 4.612 4.362 0.250 1
1 64 . 12 1 1 A 11 11 LYS H H 11 8.698 7.951 0.747 1
1 65 . 12 1 1 A 11 11 LYS HA H 11 4.524 4.889 -0.365 1
1 70 . 12 1 1 A 12 12 PRO HA H 12 4.553 4.711 -0.158 1
1 77 . 12 1 1 A 13 13 VAL H H 13 8.273 8.359 -0.086 1
1 78 . 12 1 1 A 13 13 VAL HA H 13 4.660 4.739 -0.079 1
1 86 . 12 1 1 A 14 14 CYS H H 14 8.691 8.680 0.011 1
1 87 . 12 1 1 A 14 14 CYS HA H 14 5.195 4.872 0.323 1
1 90 . 12 1 1 A 15 15 GLY H H 15 9.670 8.947 0.723 1
1 91 . 12 1 1 A 15 15 GLY HA2 H 15 4.741 4.207 0.534 1
1 92 . 12 1 1 A 15 15 GLY HA3 H 15 4.103 4.318 -0.215 1
1 93 . 12 1 1 A 16 16 SER H H 16 8.986 9.166 -0.180 1
1 94 . 12 1 1 A 16 16 SER HA H 16 3.968 4.323 -0.355 1
1 97 . 12 1 1 A 17 17 ASP H H 17 8.117 7.873 0.244 1
1 98 . 12 1 1 A 17 17 ASP HA H 17 4.504 4.701 -0.197 1
1 101 . 12 1 1 A 18 18 GLY H H 18 8.343 8.401 -0.058 1
1 102 . 12 1 1 A 18 18 GLY HA2 H 18 3.687 3.896 -0.209 1
1 103 . 12 1 1 A 18 18 GLY HA3 H 18 4.013 3.897 0.116 1
1 104 . 12 1 1 A 19 19 ARG H H 19 7.461 7.530 -0.069 1
1 105 . 12 1 1 A 19 19 ARG HA H 19 4.386 4.861 -0.475 1
1 113 . 12 1 1 A 20 20 THR H H 20 8.285 8.623 -0.338 1
1 114 . 12 1 1 A 20 20 THR HA H 20 4.936 5.094 -0.158 1
1 119 . 12 1 1 A 21 21 TYR H H 21 9.145 8.230 0.915 1
1 120 . 12 1 1 A 21 21 TYR HA H 21 4.531 4.893 -0.362 1
1 127 . 12 1 1 A 22 22 ALA H H 22 8.861 8.899 -0.038 1
1 128 . 12 1 1 A 22 22 ALA HA H 22 3.843 4.232 -0.389 1
1 132 . 12 1 1 A 23 23 ASN H H 23 7.100 7.785 -0.685 1
1 133 . 12 1 1 A 23 23 ASN HA H 23 4.910 5.252 -0.342 1
1 138 . 12 1 1 A 24 24 SER H H 24 9.422 8.785 0.637 1
1 139 . 12 1 1 A 24 24 SER HA H 24 3.905 4.153 -0.248 1
1 140 . 12 1 1 A 25 25 CYS H H 25 8.132 7.550 0.582 1
1 141 . 12 1 1 A 25 25 CYS HA H 25 4.110 4.297 -0.187 1
1 144 . 12 1 1 A 26 26 ILE H H 26 8.022 8.158 -0.136 1
1 145 . 12 1 1 A 26 26 ILE HA H 26 3.810 3.798 0.012 1
1 152 . 12 1 1 A 27 27 ALA H H 27 7.326 7.931 -0.605 1
1 153 . 12 1 1 A 27 27 ALA HA H 27 2.798 2.969 -0.171 1
1 157 . 12 1 1 A 28 28 ARG H H 28 7.847 7.869 -0.022 1
1 158 . 12 1 1 A 28 28 ARG HA H 28 3.947 4.164 -0.217 1
1 163 . 12 1 1 A 29 29 CYS H H 29 8.523 7.974 0.549 1
1 164 . 12 1 1 A 29 29 CYS HA H 29 4.128 4.085 0.043 1
1 167 . 12 1 1 A 30 30 ASN H H 30 7.401 7.576 -0.175 1
1 168 . 12 1 1 A 30 30 ASN HA H 30 4.537 4.676 -0.139 1
1 173 . 12 1 1 A 31 31 GLY H H 31 7.919 8.440 -0.521 1
1 174 . 12 1 1 A 31 31 GLY HA2 H 31 3.731 3.899 -0.168 1
1 175 . 12 1 1 A 31 31 GLY HA3 H 31 3.915 3.908 0.007 1
1 176 . 12 1 1 A 32 32 VAL H H 32 7.316 7.739 -0.423 1
1 177 . 12 1 1 A 32 32 VAL HA H 32 4.212 4.673 -0.461 1
1 185 . 12 1 1 A 33 33 SER H H 33 8.039 9.043 -1.004 1
1 186 . 12 1 1 A 33 33 SER HA H 33 4.378 5.041 -0.663 1
1 189 . 12 1 1 A 34 34 ILE H H 34 8.555 8.446 0.109 1
1 190 . 12 1 1 A 34 34 ILE HA H 34 3.867 4.390 -0.523 1
1 200 . 12 1 1 A 35 35 LYS H H 35 9.177 9.311 -0.134 1
1 201 . 12 1 1 A 35 35 LYS HA H 35 4.243 4.197 0.046 1
1 206 . 12 1 1 A 36 36 SER H H 36 7.740 7.451 0.289 1
1 207 . 12 1 1 A 36 36 SER HA H 36 4.496 4.611 -0.115 1
1 210 . 12 1 1 A 37 37 GLU H H 37 8.608 8.606 0.002 1
1 211 . 12 1 1 A 37 37 GLU HA H 37 4.304 4.331 -0.027 1
1 216 . 12 1 1 A 38 38 GLY H H 38 7.992 8.239 -0.247 1
1 217 . 12 1 1 A 38 38 GLY HA2 H 38 3.481 4.076 -0.595 1
1 218 . 12 1 1 A 38 38 GLY HA3 H 38 4.222 4.079 0.143 1
1 219 . 12 1 1 A 39 39 SER H H 39 7.776 8.523 -0.747 1
1 220 . 12 1 1 A 39 39 SER HA H 39 4.092 4.342 -0.250 1
1 223 . 12 1 1 A 40 40 CYS H H 40 8.398 8.539 -0.141 1
1 224 . 12 1 1 A 40 40 CYS HA H 40 4.614 5.011 -0.397 1
1 227 . 12 1 1 A 41 41 PRO HA H 41 4.397 4.699 -0.302 1
1 234 . 12 1 1 A 42 42 THR H H 42 8.192 8.487 -0.295 1
1 235 . 12 1 1 A 42 42 THR HA H 42 4.171 4.323 -0.152 1
1 240 . 12 1 1 A 43 43 GLY H H 43 8.299 8.180 0.119 1
1 241 . 12 1 1 A 43 43 GLY HA2 H 43 3.889 3.937 -0.048 1
1 242 . 12 1 1 A 43 43 GLY HA3 H 43 3.889 3.938 -0.049 1
1 2 . 13 1 1 A 2 2 LYS H H 2 8.634 8.489 0.145 1
1 3 . 13 1 1 A 2 2 LYS HA H 2 4.309 4.500 -0.191 1
1 10 . 13 1 1 A 3 3 VAL H H 3 8.358 7.905 0.453 1
1 11 . 13 1 1 A 3 3 VAL HA H 3 3.981 3.980 0.001 1
1 19 . 13 1 1 A 4 4 CYS H H 4 8.569 8.094 0.475 1
1 20 . 13 1 1 A 4 4 CYS HA H 4 4.580 4.067 0.513 1
1 23 . 13 1 1 A 5 5 ALA H H 5 8.510 7.574 0.936 1
1 24 . 13 1 1 A 5 5 ALA HA H 5 4.293 4.644 -0.351 1
1 28 . 13 1 1 A 6 6 CYS H H 6 8.262 8.625 -0.363 1
1 29 . 13 1 1 A 6 6 CYS HA H 6 4.790 4.608 0.182 1
1 32 . 13 1 1 A 7 7 PRO HA H 7 4.445 4.779 -0.334 1
1 39 . 13 1 1 A 8 8 LYS H H 8 8.581 8.033 0.548 1
1 40 . 13 1 1 A 8 8 LYS HA H 8 4.196 4.506 -0.310 1
1 43 . 13 1 1 A 9 9 ILE H H 9 6.998 7.243 -0.245 1
1 44 . 13 1 1 A 9 9 ILE HA H 9 4.046 4.016 0.030 1
1 53 . 13 1 1 A 10 10 LEU H H 10 8.616 8.496 0.120 1
1 54 . 13 1 1 A 10 10 LEU HA H 10 4.612 4.429 0.183 1
1 64 . 13 1 1 A 11 11 LYS H H 11 8.698 7.756 0.942 1
1 65 . 13 1 1 A 11 11 LYS HA H 11 4.524 4.886 -0.362 1
1 70 . 13 1 1 A 12 12 PRO HA H 12 4.553 4.722 -0.169 1
1 77 . 13 1 1 A 13 13 VAL H H 13 8.273 8.029 0.244 1
1 78 . 13 1 1 A 13 13 VAL HA H 13 4.660 4.805 -0.145 1
1 86 . 13 1 1 A 14 14 CYS H H 14 8.691 8.857 -0.166 1
1 87 . 13 1 1 A 14 14 CYS HA H 14 5.195 5.524 -0.329 1
1 90 . 13 1 1 A 15 15 GLY H H 15 9.670 9.344 0.326 1
1 91 . 13 1 1 A 15 15 GLY HA2 H 15 4.741 4.166 0.575 1
1 92 . 13 1 1 A 15 15 GLY HA3 H 15 4.103 4.297 -0.194 1
1 93 . 13 1 1 A 16 16 SER H H 16 8.986 8.769 0.217 1
1 94 . 13 1 1 A 16 16 SER HA H 16 3.968 4.209 -0.241 1
1 97 . 13 1 1 A 17 17 ASP H H 17 8.117 8.041 0.076 1
1 98 . 13 1 1 A 17 17 ASP HA H 17 4.504 4.653 -0.149 1
1 101 . 13 1 1 A 18 18 GLY H H 18 8.343 8.405 -0.062 1
1 102 . 13 1 1 A 18 18 GLY HA2 H 18 3.687 3.740 -0.053 1
1 103 . 13 1 1 A 18 18 GLY HA3 H 18 4.013 3.749 0.264 1
1 104 . 13 1 1 A 19 19 ARG H H 19 7.461 7.745 -0.284 1
1 105 . 13 1 1 A 19 19 ARG HA H 19 4.386 4.656 -0.270 1
1 113 . 13 1 1 A 20 20 THR H H 20 8.285 8.288 -0.003 1
1 114 . 13 1 1 A 20 20 THR HA H 20 4.936 4.914 0.022 1
1 119 . 13 1 1 A 21 21 TYR H H 21 9.145 8.756 0.389 1
1 120 . 13 1 1 A 21 21 TYR HA H 21 4.531 4.980 -0.449 1
1 127 . 13 1 1 A 22 22 ALA H H 22 8.861 8.850 0.011 1
1 128 . 13 1 1 A 22 22 ALA HA H 22 3.843 4.221 -0.378 1
1 132 . 13 1 1 A 23 23 ASN H H 23 7.100 7.809 -0.709 1
1 133 . 13 1 1 A 23 23 ASN HA H 23 4.910 5.267 -0.357 1
1 138 . 13 1 1 A 24 24 SER H H 24 9.422 8.849 0.573 1
1 139 . 13 1 1 A 24 24 SER HA H 24 3.905 4.018 -0.113 1
1 140 . 13 1 1 A 25 25 CYS H H 25 8.132 8.058 0.074 1
1 141 . 13 1 1 A 25 25 CYS HA H 25 4.110 4.116 -0.006 1
1 144 . 13 1 1 A 26 26 ILE H H 26 8.022 8.007 0.015 1
1 145 . 13 1 1 A 26 26 ILE HA H 26 3.810 3.862 -0.052 1
1 152 . 13 1 1 A 27 27 ALA H H 27 7.326 7.905 -0.579 1
1 153 . 13 1 1 A 27 27 ALA HA H 27 2.798 2.847 -0.049 1
1 157 . 13 1 1 A 28 28 ARG H H 28 7.847 7.831 0.016 1
1 158 . 13 1 1 A 28 28 ARG HA H 28 3.947 4.275 -0.328 1
1 163 . 13 1 1 A 29 29 CYS H H 29 8.523 7.711 0.812 1
1 164 . 13 1 1 A 29 29 CYS HA H 29 4.128 4.008 0.120 1
1 167 . 13 1 1 A 30 30 ASN H H 30 7.401 7.804 -0.403 1
1 168 . 13 1 1 A 30 30 ASN HA H 30 4.537 4.600 -0.063 1
1 173 . 13 1 1 A 31 31 GLY H H 31 7.919 8.101 -0.182 1
1 174 . 13 1 1 A 31 31 GLY HA2 H 31 3.731 3.905 -0.174 1
1 175 . 13 1 1 A 31 31 GLY HA3 H 31 3.915 3.913 0.002 1
1 176 . 13 1 1 A 32 32 VAL H H 32 7.316 7.538 -0.222 1
1 177 . 13 1 1 A 32 32 VAL HA H 32 4.212 4.386 -0.174 1
1 185 . 13 1 1 A 33 33 SER H H 33 8.039 8.576 -0.537 1
1 186 . 13 1 1 A 33 33 SER HA H 33 4.378 4.881 -0.503 1
1 189 . 13 1 1 A 34 34 ILE H H 34 8.555 8.347 0.208 1
1 190 . 13 1 1 A 34 34 ILE HA H 34 3.867 4.304 -0.437 1
1 200 . 13 1 1 A 35 35 LYS H H 35 9.177 9.187 -0.010 1
1 201 . 13 1 1 A 35 35 LYS HA H 35 4.243 4.148 0.095 1
1 206 . 13 1 1 A 36 36 SER H H 36 7.740 7.390 0.350 1
1 207 . 13 1 1 A 36 36 SER HA H 36 4.496 4.653 -0.157 1
1 210 . 13 1 1 A 37 37 GLU H H 37 8.608 8.635 -0.027 1
1 211 . 13 1 1 A 37 37 GLU HA H 37 4.304 4.376 -0.072 1
1 216 . 13 1 1 A 38 38 GLY H H 38 7.992 8.318 -0.326 1
1 217 . 13 1 1 A 38 38 GLY HA2 H 38 3.481 4.082 -0.601 1
1 218 . 13 1 1 A 38 38 GLY HA3 H 38 4.222 4.084 0.138 1
1 219 . 13 1 1 A 39 39 SER H H 39 7.776 8.352 -0.576 1
1 220 . 13 1 1 A 39 39 SER HA H 39 4.092 4.338 -0.246 1
1 223 . 13 1 1 A 40 40 CYS H H 40 8.398 8.283 0.115 1
1 224 . 13 1 1 A 40 40 CYS HA H 40 4.614 4.962 -0.348 1
1 227 . 13 1 1 A 41 41 PRO HA H 41 4.397 4.743 -0.346 1
1 234 . 13 1 1 A 42 42 THR H H 42 8.192 8.539 -0.347 1
1 235 . 13 1 1 A 42 42 THR HA H 42 4.171 4.796 -0.625 1
1 240 . 13 1 1 A 43 43 GLY H H 43 8.299 8.272 0.027 1
1 241 . 13 1 1 A 43 43 GLY HA2 H 43 3.889 4.085 -0.196 1
1 242 . 13 1 1 A 43 43 GLY HA3 H 43 3.889 4.086 -0.197 1
1 2 . 14 1 1 A 2 2 LYS H H 2 8.634 8.300 0.334 1
1 3 . 14 1 1 A 2 2 LYS HA H 2 4.309 4.756 -0.447 1
1 10 . 14 1 1 A 3 3 VAL H H 3 8.358 8.488 -0.130 1
1 11 . 14 1 1 A 3 3 VAL HA H 3 3.981 4.106 -0.125 1
1 19 . 14 1 1 A 4 4 CYS H H 4 8.569 8.864 -0.295 1
1 20 . 14 1 1 A 4 4 CYS HA H 4 4.580 4.742 -0.162 1
1 23 . 14 1 1 A 5 5 ALA H H 5 8.510 7.660 0.850 1
1 24 . 14 1 1 A 5 5 ALA HA H 5 4.293 4.417 -0.124 1
1 28 . 14 1 1 A 6 6 CYS H H 6 8.262 8.545 -0.283 1
1 29 . 14 1 1 A 6 6 CYS HA H 6 4.790 4.692 0.098 1
1 32 . 14 1 1 A 7 7 PRO HA H 7 4.445 4.744 -0.299 1
1 39 . 14 1 1 A 8 8 LYS H H 8 8.581 8.506 0.075 1
1 40 . 14 1 1 A 8 8 LYS HA H 8 4.196 4.526 -0.330 1
1 43 . 14 1 1 A 9 9 ILE H H 9 6.998 7.366 -0.368 1
1 44 . 14 1 1 A 9 9 ILE HA H 9 4.046 4.206 -0.160 1
1 53 . 14 1 1 A 10 10 LEU H H 10 8.616 8.494 0.122 1
1 54 . 14 1 1 A 10 10 LEU HA H 10 4.612 4.757 -0.145 1
1 64 . 14 1 1 A 11 11 LYS H H 11 8.698 8.745 -0.047 1
1 65 . 14 1 1 A 11 11 LYS HA H 11 4.524 4.893 -0.369 1
1 70 . 14 1 1 A 12 12 PRO HA H 12 4.553 4.692 -0.139 1
1 77 . 14 1 1 A 13 13 VAL H H 13 8.273 8.048 0.225 1
1 78 . 14 1 1 A 13 13 VAL HA H 13 4.660 4.829 -0.169 1
1 86 . 14 1 1 A 14 14 CYS H H 14 8.691 8.895 -0.204 1
1 87 . 14 1 1 A 14 14 CYS HA H 14 5.195 5.415 -0.220 1
1 90 . 14 1 1 A 15 15 GLY H H 15 9.670 9.161 0.509 1
1 91 . 14 1 1 A 15 15 GLY HA2 H 15 4.741 4.167 0.574 1
1 92 . 14 1 1 A 15 15 GLY HA3 H 15 4.103 4.208 -0.105 1
1 93 . 14 1 1 A 16 16 SER H H 16 8.986 9.040 -0.054 1
1 94 . 14 1 1 A 16 16 SER HA H 16 3.968 4.139 -0.171 1
1 97 . 14 1 1 A 17 17 ASP H H 17 8.117 7.717 0.400 1
1 98 . 14 1 1 A 17 17 ASP HA H 17 4.504 4.751 -0.247 1
1 101 . 14 1 1 A 18 18 GLY H H 18 8.343 8.229 0.114 1
1 102 . 14 1 1 A 18 18 GLY HA2 H 18 3.687 3.916 -0.229 1
1 103 . 14 1 1 A 18 18 GLY HA3 H 18 4.013 3.920 0.093 1
1 104 . 14 1 1 A 19 19 ARG H H 19 7.461 7.812 -0.351 1
1 105 . 14 1 1 A 19 19 ARG HA H 19 4.386 4.195 0.191 1
1 113 . 14 1 1 A 20 20 THR H H 20 8.285 8.431 -0.146 1
1 114 . 14 1 1 A 20 20 THR HA H 20 4.936 5.134 -0.198 1
1 119 . 14 1 1 A 21 21 TYR H H 21 9.145 8.969 0.176 1
1 120 . 14 1 1 A 21 21 TYR HA H 21 4.531 4.958 -0.427 1
1 127 . 14 1 1 A 22 22 ALA H H 22 8.861 8.781 0.080 1
1 128 . 14 1 1 A 22 22 ALA HA H 22 3.843 4.211 -0.368 1
1 132 . 14 1 1 A 23 23 ASN H H 23 7.100 7.697 -0.597 1
1 133 . 14 1 1 A 23 23 ASN HA H 23 4.910 5.446 -0.536 1
1 138 . 14 1 1 A 24 24 SER H H 24 9.422 8.847 0.575 1
1 139 . 14 1 1 A 24 24 SER HA H 24 3.905 4.052 -0.147 1
1 140 . 14 1 1 A 25 25 CYS H H 25 8.132 8.093 0.039 1
1 141 . 14 1 1 A 25 25 CYS HA H 25 4.110 4.020 0.090 1
1 144 . 14 1 1 A 26 26 ILE H H 26 8.022 7.937 0.085 1
1 145 . 14 1 1 A 26 26 ILE HA H 26 3.810 3.648 0.162 1
1 152 . 14 1 1 A 27 27 ALA H H 27 7.326 8.186 -0.860 1
1 153 . 14 1 1 A 27 27 ALA HA H 27 2.798 3.033 -0.235 1
1 157 . 14 1 1 A 28 28 ARG H H 28 7.847 7.984 -0.137 1
1 158 . 14 1 1 A 28 28 ARG HA H 28 3.947 3.986 -0.039 1
1 163 . 14 1 1 A 29 29 CYS H H 29 8.523 7.691 0.832 1
1 164 . 14 1 1 A 29 29 CYS HA H 29 4.128 4.082 0.046 1
1 167 . 14 1 1 A 30 30 ASN H H 30 7.401 7.788 -0.387 1
1 168 . 14 1 1 A 30 30 ASN HA H 30 4.537 4.668 -0.131 1
1 173 . 14 1 1 A 31 31 GLY H H 31 7.919 8.349 -0.430 1
1 174 . 14 1 1 A 31 31 GLY HA2 H 31 3.731 3.910 -0.179 1
1 175 . 14 1 1 A 31 31 GLY HA3 H 31 3.915 3.921 -0.006 1
1 176 . 14 1 1 A 32 32 VAL H H 32 7.316 7.314 0.002 1
1 177 . 14 1 1 A 32 32 VAL HA H 32 4.212 4.747 -0.535 1
1 185 . 14 1 1 A 33 33 SER H H 33 8.039 8.975 -0.936 1
1 186 . 14 1 1 A 33 33 SER HA H 33 4.378 4.627 -0.249 1
1 189 . 14 1 1 A 34 34 ILE H H 34 8.555 8.550 0.005 1
1 190 . 14 1 1 A 34 34 ILE HA H 34 3.867 4.449 -0.582 1
1 200 . 14 1 1 A 35 35 LYS H H 35 9.177 9.267 -0.090 1
1 201 . 14 1 1 A 35 35 LYS HA H 35 4.243 4.229 0.014 1
1 206 . 14 1 1 A 36 36 SER H H 36 7.740 7.462 0.278 1
1 207 . 14 1 1 A 36 36 SER HA H 36 4.496 4.663 -0.167 1
1 210 . 14 1 1 A 37 37 GLU H H 37 8.608 8.652 -0.044 1
1 211 . 14 1 1 A 37 37 GLU HA H 37 4.304 4.475 -0.171 1
1 216 . 14 1 1 A 38 38 GLY H H 38 7.992 8.309 -0.317 1
1 217 . 14 1 1 A 38 38 GLY HA2 H 38 3.481 4.086 -0.605 1
1 218 . 14 1 1 A 38 38 GLY HA3 H 38 4.222 4.088 0.134 1
1 219 . 14 1 1 A 39 39 SER H H 39 7.776 8.363 -0.587 1
1 220 . 14 1 1 A 39 39 SER HA H 39 4.092 4.313 -0.221 1
1 223 . 14 1 1 A 40 40 CYS H H 40 8.398 7.903 0.495 1
1 224 . 14 1 1 A 40 40 CYS HA H 40 4.614 4.829 -0.215 1
1 227 . 14 1 1 A 41 41 PRO HA H 41 4.397 4.682 -0.285 1
1 234 . 14 1 1 A 42 42 THR H H 42 8.192 8.597 -0.405 1
1 235 . 14 1 1 A 42 42 THR HA H 42 4.171 4.260 -0.089 1
1 240 . 14 1 1 A 43 43 GLY H H 43 8.299 7.770 0.529 1
1 241 . 14 1 1 A 43 43 GLY HA2 H 43 3.889 3.901 -0.012 1
1 242 . 14 1 1 A 43 43 GLY HA3 H 43 3.889 3.902 -0.013 1
1 2 . 15 1 1 A 2 2 LYS H H 2 8.634 8.407 0.227 1
1 3 . 15 1 1 A 2 2 LYS HA H 2 4.309 4.396 -0.087 1
1 10 . 15 1 1 A 3 3 VAL H H 3 8.358 8.144 0.214 1
1 11 . 15 1 1 A 3 3 VAL HA H 3 3.981 4.049 -0.068 1
1 19 . 15 1 1 A 4 4 CYS H H 4 8.569 8.998 -0.429 1
1 20 . 15 1 1 A 4 4 CYS HA H 4 4.580 4.561 0.019 1
1 23 . 15 1 1 A 5 5 ALA H H 5 8.510 8.082 0.428 1
1 24 . 15 1 1 A 5 5 ALA HA H 5 4.293 4.272 0.021 1
1 28 . 15 1 1 A 6 6 CYS H H 6 8.262 7.875 0.387 1
1 29 . 15 1 1 A 6 6 CYS HA H 6 4.790 4.635 0.155 1
1 32 . 15 1 1 A 7 7 PRO HA H 7 4.445 4.769 -0.324 1
1 39 . 15 1 1 A 8 8 LYS H H 8 8.581 8.073 0.508 1
1 40 . 15 1 1 A 8 8 LYS HA H 8 4.196 4.514 -0.318 1
1 43 . 15 1 1 A 9 9 ILE H H 9 6.998 7.304 -0.306 1
1 44 . 15 1 1 A 9 9 ILE HA H 9 4.046 4.260 -0.214 1
1 53 . 15 1 1 A 10 10 LEU H H 10 8.616 8.334 0.282 1
1 54 . 15 1 1 A 10 10 LEU HA H 10 4.612 4.702 -0.090 1
1 64 . 15 1 1 A 11 11 LYS H H 11 8.698 8.647 0.051 1
1 65 . 15 1 1 A 11 11 LYS HA H 11 4.524 4.892 -0.368 1
1 70 . 15 1 1 A 12 12 PRO HA H 12 4.553 4.677 -0.124 1
1 77 . 15 1 1 A 13 13 VAL H H 13 8.273 8.077 0.196 1
1 78 . 15 1 1 A 13 13 VAL HA H 13 4.660 4.800 -0.140 1
1 86 . 15 1 1 A 14 14 CYS H H 14 8.691 8.919 -0.228 1
1 87 . 15 1 1 A 14 14 CYS HA H 14 5.195 5.328 -0.133 1
1 90 . 15 1 1 A 15 15 GLY H H 15 9.670 9.163 0.507 1
1 91 . 15 1 1 A 15 15 GLY HA2 H 15 4.741 4.204 0.537 1
1 92 . 15 1 1 A 15 15 GLY HA3 H 15 4.103 4.326 -0.223 1
1 93 . 15 1 1 A 16 16 SER H H 16 8.986 8.862 0.124 1
1 94 . 15 1 1 A 16 16 SER HA H 16 3.968 4.201 -0.233 1
1 97 . 15 1 1 A 17 17 ASP H H 17 8.117 7.851 0.266 1
1 98 . 15 1 1 A 17 17 ASP HA H 17 4.504 4.710 -0.206 1
1 101 . 15 1 1 A 18 18 GLY H H 18 8.343 8.225 0.118 1
1 102 . 15 1 1 A 18 18 GLY HA2 H 18 3.687 3.894 -0.207 1
1 103 . 15 1 1 A 18 18 GLY HA3 H 18 4.013 3.899 0.114 1
1 104 . 15 1 1 A 19 19 ARG H H 19 7.461 7.866 -0.405 1
1 105 . 15 1 1 A 19 19 ARG HA H 19 4.386 4.456 -0.070 1
1 113 . 15 1 1 A 20 20 THR H H 20 8.285 8.165 0.120 1
1 114 . 15 1 1 A 20 20 THR HA H 20 4.936 5.188 -0.252 1
1 119 . 15 1 1 A 21 21 TYR H H 21 9.145 8.614 0.531 1
1 120 . 15 1 1 A 21 21 TYR HA H 21 4.531 4.967 -0.436 1
1 127 . 15 1 1 A 22 22 ALA H H 22 8.861 8.861 0.000 1
1 128 . 15 1 1 A 22 22 ALA HA H 22 3.843 4.229 -0.386 1
1 132 . 15 1 1 A 23 23 ASN H H 23 7.100 7.737 -0.637 1
1 133 . 15 1 1 A 23 23 ASN HA H 23 4.910 5.273 -0.363 1
1 138 . 15 1 1 A 24 24 SER H H 24 9.422 8.733 0.689 1
1 139 . 15 1 1 A 24 24 SER HA H 24 3.905 4.106 -0.201 1
1 140 . 15 1 1 A 25 25 CYS H H 25 8.132 8.079 0.053 1
1 141 . 15 1 1 A 25 25 CYS HA H 25 4.110 4.101 0.009 1
1 144 . 15 1 1 A 26 26 ILE H H 26 8.022 8.037 -0.015 1
1 145 . 15 1 1 A 26 26 ILE HA H 26 3.810 3.899 -0.089 1
1 152 . 15 1 1 A 27 27 ALA H H 27 7.326 7.993 -0.667 1
1 153 . 15 1 1 A 27 27 ALA HA H 27 2.798 2.900 -0.102 1
1 157 . 15 1 1 A 28 28 ARG H H 28 7.847 8.107 -0.260 1
1 158 . 15 1 1 A 28 28 ARG HA H 28 3.947 4.247 -0.300 1
1 163 . 15 1 1 A 29 29 CYS H H 29 8.523 7.571 0.952 1
1 164 . 15 1 1 A 29 29 CYS HA H 29 4.128 4.056 0.072 1
1 167 . 15 1 1 A 30 30 ASN H H 30 7.401 7.509 -0.108 1
1 168 . 15 1 1 A 30 30 ASN HA H 30 4.537 4.668 -0.131 1
1 173 . 15 1 1 A 31 31 GLY H H 31 7.919 7.979 -0.060 1
1 174 . 15 1 1 A 31 31 GLY HA2 H 31 3.731 3.910 -0.179 1
1 175 . 15 1 1 A 31 31 GLY HA3 H 31 3.915 3.918 -0.003 1
1 176 . 15 1 1 A 32 32 VAL H H 32 7.316 7.682 -0.366 1
1 177 . 15 1 1 A 32 32 VAL HA H 32 4.212 4.207 0.005 1
1 185 . 15 1 1 A 33 33 SER H H 33 8.039 8.582 -0.543 1
1 186 . 15 1 1 A 33 33 SER HA H 33 4.378 4.698 -0.320 1
1 189 . 15 1 1 A 34 34 ILE H H 34 8.555 8.371 0.184 1
1 190 . 15 1 1 A 34 34 ILE HA H 34 3.867 4.246 -0.379 1
1 200 . 15 1 1 A 35 35 LYS H H 35 9.177 9.225 -0.048 1
1 201 . 15 1 1 A 35 35 LYS HA H 35 4.243 4.232 0.011 1
1 206 . 15 1 1 A 36 36 SER H H 36 7.740 7.588 0.152 1
1 207 . 15 1 1 A 36 36 SER HA H 36 4.496 4.858 -0.362 1
1 210 . 15 1 1 A 37 37 GLU H H 37 8.608 8.595 0.013 1
1 211 . 15 1 1 A 37 37 GLU HA H 37 4.304 4.435 -0.131 1
1 216 . 15 1 1 A 38 38 GLY H H 38 7.992 8.415 -0.423 1
1 217 . 15 1 1 A 38 38 GLY HA2 H 38 3.481 4.079 -0.598 1
1 218 . 15 1 1 A 38 38 GLY HA3 H 38 4.222 4.082 0.140 1
1 219 . 15 1 1 A 39 39 SER H H 39 7.776 8.528 -0.752 1
1 220 . 15 1 1 A 39 39 SER HA H 39 4.092 4.321 -0.229 1
1 223 . 15 1 1 A 40 40 CYS H H 40 8.398 8.026 0.372 1
1 224 . 15 1 1 A 40 40 CYS HA H 40 4.614 4.764 -0.150 1
1 227 . 15 1 1 A 41 41 PRO HA H 41 4.397 4.676 -0.279 1
1 234 . 15 1 1 A 42 42 THR H H 42 8.192 8.552 -0.360 1
1 235 . 15 1 1 A 42 42 THR HA H 42 4.171 4.475 -0.304 1
1 240 . 15 1 1 A 43 43 GLY H H 43 8.299 7.730 0.569 1
1 241 . 15 1 1 A 43 43 GLY HA2 H 43 3.889 3.943 -0.054 1
1 242 . 15 1 1 A 43 43 GLY HA3 H 43 3.889 3.944 -0.055 1
1 2 . 16 1 1 A 2 2 LYS H H 2 8.634 7.668 0.966 1
1 3 . 16 1 1 A 2 2 LYS HA H 2 4.309 4.917 -0.608 1
1 10 . 16 1 1 A 3 3 VAL H H 3 8.358 8.692 -0.334 1
1 11 . 16 1 1 A 3 3 VAL HA H 3 3.981 4.103 -0.122 1
1 19 . 16 1 1 A 4 4 CYS H H 4 8.569 8.671 -0.102 1
1 20 . 16 1 1 A 4 4 CYS HA H 4 4.580 4.529 0.051 1
1 23 . 16 1 1 A 5 5 ALA H H 5 8.510 8.587 -0.077 1
1 24 . 16 1 1 A 5 5 ALA HA H 5 4.293 4.640 -0.347 1
1 28 . 16 1 1 A 6 6 CYS H H 6 8.262 8.296 -0.034 1
1 29 . 16 1 1 A 6 6 CYS HA H 6 4.790 4.640 0.150 1
1 32 . 16 1 1 A 7 7 PRO HA H 7 4.445 4.744 -0.299 1
1 39 . 16 1 1 A 8 8 LYS H H 8 8.581 8.058 0.523 1
1 40 . 16 1 1 A 8 8 LYS HA H 8 4.196 4.559 -0.363 1
1 43 . 16 1 1 A 9 9 ILE H H 9 6.998 7.357 -0.359 1
1 44 . 16 1 1 A 9 9 ILE HA H 9 4.046 4.183 -0.137 1
1 53 . 16 1 1 A 10 10 LEU H H 10 8.616 8.590 0.026 1
1 54 . 16 1 1 A 10 10 LEU HA H 10 4.612 4.680 -0.068 1
1 64 . 16 1 1 A 11 11 LYS H H 11 8.698 8.357 0.341 1
1 65 . 16 1 1 A 11 11 LYS HA H 11 4.524 4.925 -0.401 1
1 70 . 16 1 1 A 12 12 PRO HA H 12 4.553 4.733 -0.180 1
1 77 . 16 1 1 A 13 13 VAL H H 13 8.273 7.936 0.337 1
1 78 . 16 1 1 A 13 13 VAL HA H 13 4.660 4.776 -0.116 1
1 86 . 16 1 1 A 14 14 CYS H H 14 8.691 9.022 -0.331 1
1 87 . 16 1 1 A 14 14 CYS HA H 14 5.195 5.241 -0.046 1
1 90 . 16 1 1 A 15 15 GLY H H 15 9.670 9.119 0.551 1
1 91 . 16 1 1 A 15 15 GLY HA2 H 15 4.741 4.172 0.569 1
1 92 . 16 1 1 A 15 15 GLY HA3 H 15 4.103 4.252 -0.149 1
1 93 . 16 1 1 A 16 16 SER H H 16 8.986 9.040 -0.054 1
1 94 . 16 1 1 A 16 16 SER HA H 16 3.968 4.147 -0.179 1
1 97 . 16 1 1 A 17 17 ASP H H 17 8.117 7.904 0.213 1
1 98 . 16 1 1 A 17 17 ASP HA H 17 4.504 4.520 -0.016 1
1 101 . 16 1 1 A 18 18 GLY H H 18 8.343 8.216 0.127 1
1 102 . 16 1 1 A 18 18 GLY HA2 H 18 3.687 3.910 -0.223 1
1 103 . 16 1 1 A 18 18 GLY HA3 H 18 4.013 3.918 0.095 1
1 104 . 16 1 1 A 19 19 ARG H H 19 7.461 7.790 -0.329 1
1 105 . 16 1 1 A 19 19 ARG HA H 19 4.386 4.424 -0.038 1
1 113 . 16 1 1 A 20 20 THR H H 20 8.285 8.352 -0.067 1
1 114 . 16 1 1 A 20 20 THR HA H 20 4.936 5.251 -0.315 1
1 119 . 16 1 1 A 21 21 TYR H H 21 9.145 8.496 0.649 1
1 120 . 16 1 1 A 21 21 TYR HA H 21 4.531 4.948 -0.417 1
1 127 . 16 1 1 A 22 22 ALA H H 22 8.861 8.712 0.149 1
1 128 . 16 1 1 A 22 22 ALA HA H 22 3.843 4.229 -0.386 1
1 132 . 16 1 1 A 23 23 ASN H H 23 7.100 7.726 -0.626 1
1 133 . 16 1 1 A 23 23 ASN HA H 23 4.910 5.272 -0.362 1
1 138 . 16 1 1 A 24 24 SER H H 24 9.422 8.727 0.695 1
1 139 . 16 1 1 A 24 24 SER HA H 24 3.905 4.120 -0.215 1
1 140 . 16 1 1 A 25 25 CYS H H 25 8.132 8.078 0.054 1
1 141 . 16 1 1 A 25 25 CYS HA H 25 4.110 4.062 0.048 1
1 144 . 16 1 1 A 26 26 ILE H H 26 8.022 8.182 -0.160 1
1 145 . 16 1 1 A 26 26 ILE HA H 26 3.810 3.850 -0.040 1
1 152 . 16 1 1 A 27 27 ALA H H 27 7.326 7.908 -0.582 1
1 153 . 16 1 1 A 27 27 ALA HA H 27 2.798 3.056 -0.258 1
1 157 . 16 1 1 A 28 28 ARG H H 28 7.847 8.062 -0.215 1
1 158 . 16 1 1 A 28 28 ARG HA H 28 3.947 4.137 -0.190 1
1 163 . 16 1 1 A 29 29 CYS H H 29 8.523 7.583 0.940 1
1 164 . 16 1 1 A 29 29 CYS HA H 29 4.128 4.117 0.011 1
1 167 . 16 1 1 A 30 30 ASN H H 30 7.401 7.604 -0.203 1
1 168 . 16 1 1 A 30 30 ASN HA H 30 4.537 4.668 -0.131 1
1 173 . 16 1 1 A 31 31 GLY H H 31 7.919 8.073 -0.154 1
1 174 . 16 1 1 A 31 31 GLY HA2 H 31 3.731 3.946 -0.215 1
1 175 . 16 1 1 A 31 31 GLY HA3 H 31 3.915 3.954 -0.039 1
1 176 . 16 1 1 A 32 32 VAL H H 32 7.316 7.642 -0.326 1
1 177 . 16 1 1 A 32 32 VAL HA H 32 4.212 4.178 0.034 1
1 185 . 16 1 1 A 33 33 SER H H 33 8.039 8.617 -0.578 1
1 186 . 16 1 1 A 33 33 SER HA H 33 4.378 4.437 -0.059 1
1 189 . 16 1 1 A 34 34 ILE H H 34 8.555 8.790 -0.235 1
1 190 . 16 1 1 A 34 34 ILE HA H 34 3.867 4.384 -0.517 1
1 200 . 16 1 1 A 35 35 LYS H H 35 9.177 8.912 0.265 1
1 201 . 16 1 1 A 35 35 LYS HA H 35 4.243 4.131 0.112 1
1 206 . 16 1 1 A 36 36 SER H H 36 7.740 7.660 0.080 1
1 207 . 16 1 1 A 36 36 SER HA H 36 4.496 4.680 -0.184 1
1 210 . 16 1 1 A 37 37 GLU H H 37 8.608 8.667 -0.059 1
1 211 . 16 1 1 A 37 37 GLU HA H 37 4.304 4.319 -0.015 1
1 216 . 16 1 1 A 38 38 GLY H H 38 7.992 8.229 -0.237 1
1 217 . 16 1 1 A 38 38 GLY HA2 H 38 3.481 4.085 -0.604 1
1 218 . 16 1 1 A 38 38 GLY HA3 H 38 4.222 4.087 0.135 1
1 219 . 16 1 1 A 39 39 SER H H 39 7.776 8.521 -0.745 1
1 220 . 16 1 1 A 39 39 SER HA H 39 4.092 4.364 -0.272 1
1 223 . 16 1 1 A 40 40 CYS H H 40 8.398 8.016 0.382 1
1 224 . 16 1 1 A 40 40 CYS HA H 40 4.614 4.756 -0.142 1
1 227 . 16 1 1 A 41 41 PRO HA H 41 4.397 4.630 -0.233 1
1 234 . 16 1 1 A 42 42 THR H H 42 8.192 8.600 -0.408 1
1 235 . 16 1 1 A 42 42 THR HA H 42 4.171 4.561 -0.390 1
1 240 . 16 1 1 A 43 43 GLY H H 43 8.299 8.293 0.006 1
1 241 . 16 1 1 A 43 43 GLY HA2 H 43 3.889 3.911 -0.022 1
1 242 . 16 1 1 A 43 43 GLY HA3 H 43 3.889 3.912 -0.023 1
1 2 . 17 1 1 A 2 2 LYS H H 2 8.634 8.719 -0.085 1
1 3 . 17 1 1 A 2 2 LYS HA H 2 4.309 4.480 -0.171 1
1 10 . 17 1 1 A 3 3 VAL H H 3 8.358 7.595 0.763 1
1 11 . 17 1 1 A 3 3 VAL HA H 3 3.981 3.986 -0.005 1
1 19 . 17 1 1 A 4 4 CYS H H 4 8.569 7.606 0.963 1
1 20 . 17 1 1 A 4 4 CYS HA H 4 4.580 4.491 0.089 1
1 23 . 17 1 1 A 5 5 ALA H H 5 8.510 8.639 -0.129 1
1 24 . 17 1 1 A 5 5 ALA HA H 5 4.293 3.754 0.539 1
1 28 . 17 1 1 A 6 6 CYS H H 6 8.262 7.687 0.575 1
1 29 . 17 1 1 A 6 6 CYS HA H 6 4.790 4.500 0.290 1
1 32 . 17 1 1 A 7 7 PRO HA H 7 4.445 4.697 -0.252 1
1 39 . 17 1 1 A 8 8 LYS H H 8 8.581 8.251 0.330 1
1 40 . 17 1 1 A 8 8 LYS HA H 8 4.196 4.137 0.059 1
1 43 . 17 1 1 A 9 9 ILE H H 9 6.998 7.352 -0.354 1
1 44 . 17 1 1 A 9 9 ILE HA H 9 4.046 3.968 0.078 1
1 53 . 17 1 1 A 10 10 LEU H H 10 8.616 8.527 0.089 1
1 54 . 17 1 1 A 10 10 LEU HA H 10 4.612 4.489 0.123 1
1 64 . 17 1 1 A 11 11 LYS H H 11 8.698 7.931 0.767 1
1 65 . 17 1 1 A 11 11 LYS HA H 11 4.524 4.891 -0.367 1
1 70 . 17 1 1 A 12 12 PRO HA H 12 4.553 4.712 -0.159 1
1 77 . 17 1 1 A 13 13 VAL H H 13 8.273 7.966 0.307 1
1 78 . 17 1 1 A 13 13 VAL HA H 13 4.660 4.820 -0.160 1
1 86 . 17 1 1 A 14 14 CYS H H 14 8.691 8.732 -0.041 1
1 87 . 17 1 1 A 14 14 CYS HA H 14 5.195 5.082 0.113 1
1 90 . 17 1 1 A 15 15 GLY H H 15 9.670 9.220 0.450 1
1 91 . 17 1 1 A 15 15 GLY HA2 H 15 4.741 4.202 0.539 1
1 92 . 17 1 1 A 15 15 GLY HA3 H 15 4.103 4.336 -0.233 1
1 93 . 17 1 1 A 16 16 SER H H 16 8.986 8.920 0.066 1
1 94 . 17 1 1 A 16 16 SER HA H 16 3.968 4.215 -0.247 1
1 97 . 17 1 1 A 17 17 ASP H H 17 8.117 8.043 0.074 1
1 98 . 17 1 1 A 17 17 ASP HA H 17 4.504 4.659 -0.155 1
1 101 . 17 1 1 A 18 18 GLY H H 18 8.343 8.656 -0.313 1
1 102 . 17 1 1 A 18 18 GLY HA2 H 18 3.687 3.815 -0.128 1
1 103 . 17 1 1 A 18 18 GLY HA3 H 18 4.013 3.816 0.197 1
1 104 . 17 1 1 A 19 19 ARG H H 19 7.461 7.647 -0.186 1
1 105 . 17 1 1 A 19 19 ARG HA H 19 4.386 4.666 -0.280 1
1 113 . 17 1 1 A 20 20 THR H H 20 8.285 8.108 0.177 1
1 114 . 17 1 1 A 20 20 THR HA H 20 4.936 5.087 -0.151 1
1 119 . 17 1 1 A 21 21 TYR H H 21 9.145 8.497 0.648 1
1 120 . 17 1 1 A 21 21 TYR HA H 21 4.531 4.933 -0.402 1
1 127 . 17 1 1 A 22 22 ALA H H 22 8.861 8.869 -0.008 1
1 128 . 17 1 1 A 22 22 ALA HA H 22 3.843 4.240 -0.397 1
1 132 . 17 1 1 A 23 23 ASN H H 23 7.100 7.782 -0.682 1
1 133 . 17 1 1 A 23 23 ASN HA H 23 4.910 5.250 -0.340 1
1 138 . 17 1 1 A 24 24 SER H H 24 9.422 8.775 0.647 1
1 139 . 17 1 1 A 24 24 SER HA H 24 3.905 4.108 -0.203 1
1 140 . 17 1 1 A 25 25 CYS H H 25 8.132 8.124 0.008 1
1 141 . 17 1 1 A 25 25 CYS HA H 25 4.110 4.035 0.075 1
1 144 . 17 1 1 A 26 26 ILE H H 26 8.022 8.306 -0.284 1
1 145 . 17 1 1 A 26 26 ILE HA H 26 3.810 3.804 0.006 1
1 152 . 17 1 1 A 27 27 ALA H H 27 7.326 7.787 -0.461 1
1 153 . 17 1 1 A 27 27 ALA HA H 27 2.798 3.553 -0.755 1
1 157 . 17 1 1 A 28 28 ARG H H 28 7.847 7.724 0.123 1
1 158 . 17 1 1 A 28 28 ARG HA H 28 3.947 4.704 -0.757 1
1 163 . 17 1 1 A 29 29 CYS H H 29 8.523 8.181 0.342 1
1 164 . 17 1 1 A 29 29 CYS HA H 29 4.128 4.072 0.056 1
1 167 . 17 1 1 A 30 30 ASN H H 30 7.401 7.306 0.095 1
1 168 . 17 1 1 A 30 30 ASN HA H 30 4.537 4.554 -0.017 1
1 173 . 17 1 1 A 31 31 GLY H H 31 7.919 8.140 -0.221 1
1 174 . 17 1 1 A 31 31 GLY HA2 H 31 3.731 3.901 -0.170 1
1 175 . 17 1 1 A 31 31 GLY HA3 H 31 3.915 3.905 0.010 1
1 176 . 17 1 1 A 32 32 VAL H H 32 7.316 7.452 -0.136 1
1 177 . 17 1 1 A 32 32 VAL HA H 32 4.212 4.504 -0.292 1
1 185 . 17 1 1 A 33 33 SER H H 33 8.039 8.719 -0.680 1
1 186 . 17 1 1 A 33 33 SER HA H 33 4.378 5.282 -0.904 1
1 189 . 17 1 1 A 34 34 ILE H H 34 8.555 8.344 0.211 1
1 190 . 17 1 1 A 34 34 ILE HA H 34 3.867 4.215 -0.348 1
1 200 . 17 1 1 A 35 35 LYS H H 35 9.177 9.197 -0.020 1
1 201 . 17 1 1 A 35 35 LYS HA H 35 4.243 4.233 0.010 1
1 206 . 17 1 1 A 36 36 SER H H 36 7.740 7.527 0.213 1
1 207 . 17 1 1 A 36 36 SER HA H 36 4.496 4.766 -0.270 1
1 210 . 17 1 1 A 37 37 GLU H H 37 8.608 8.613 -0.005 1
1 211 . 17 1 1 A 37 37 GLU HA H 37 4.304 4.359 -0.055 1
1 216 . 17 1 1 A 38 38 GLY H H 38 7.992 8.364 -0.372 1
1 217 . 17 1 1 A 38 38 GLY HA2 H 38 3.481 4.079 -0.598 1
1 218 . 17 1 1 A 38 38 GLY HA3 H 38 4.222 4.082 0.140 1
1 219 . 17 1 1 A 39 39 SER H H 39 7.776 8.306 -0.530 1
1 220 . 17 1 1 A 39 39 SER HA H 39 4.092 4.384 -0.292 1
1 223 . 17 1 1 A 40 40 CYS H H 40 8.398 8.095 0.303 1
1 224 . 17 1 1 A 40 40 CYS HA H 40 4.614 4.978 -0.364 1
1 227 . 17 1 1 A 41 41 PRO HA H 41 4.397 4.720 -0.323 1
1 234 . 17 1 1 A 42 42 THR H H 42 8.192 8.478 -0.286 1
1 235 . 17 1 1 A 42 42 THR HA H 42 4.171 4.917 -0.746 1
1 240 . 17 1 1 A 43 43 GLY H H 43 8.299 8.322 -0.023 1
1 241 . 17 1 1 A 43 43 GLY HA2 H 43 3.889 4.109 -0.220 1
1 242 . 17 1 1 A 43 43 GLY HA3 H 43 3.889 4.109 -0.220 1
1 2 . 18 1 1 A 2 2 LYS H H 2 8.634 8.905 -0.271 1
1 3 . 18 1 1 A 2 2 LYS HA H 2 4.309 4.604 -0.295 1
1 10 . 18 1 1 A 3 3 VAL H H 3 8.358 7.465 0.893 1
1 11 . 18 1 1 A 3 3 VAL HA H 3 3.981 4.450 -0.469 1
1 19 . 18 1 1 A 4 4 CYS H H 4 8.569 8.729 -0.160 1
1 20 . 18 1 1 A 4 4 CYS HA H 4 4.580 4.559 0.021 1
1 23 . 18 1 1 A 5 5 ALA H H 5 8.510 8.621 -0.111 1
1 24 . 18 1 1 A 5 5 ALA HA H 5 4.293 4.055 0.238 1
1 28 . 18 1 1 A 6 6 CYS H H 6 8.262 7.872 0.390 1
1 29 . 18 1 1 A 6 6 CYS HA H 6 4.790 4.666 0.124 1
1 32 . 18 1 1 A 7 7 PRO HA H 7 4.445 4.749 -0.304 1
1 39 . 18 1 1 A 8 8 LYS H H 8 8.581 8.501 0.080 1
1 40 . 18 1 1 A 8 8 LYS HA H 8 4.196 4.534 -0.338 1
1 43 . 18 1 1 A 9 9 ILE H H 9 6.998 7.307 -0.309 1
1 44 . 18 1 1 A 9 9 ILE HA H 9 4.046 4.168 -0.122 1
1 53 . 18 1 1 A 10 10 LEU H H 10 8.616 8.551 0.065 1
1 54 . 18 1 1 A 10 10 LEU HA H 10 4.612 4.537 0.075 1
1 64 . 18 1 1 A 11 11 LYS H H 11 8.698 8.388 0.310 1
1 65 . 18 1 1 A 11 11 LYS HA H 11 4.524 4.883 -0.359 1
1 70 . 18 1 1 A 12 12 PRO HA H 12 4.553 4.786 -0.233 1
1 77 . 18 1 1 A 13 13 VAL H H 13 8.273 8.009 0.264 1
1 78 . 18 1 1 A 13 13 VAL HA H 13 4.660 4.911 -0.251 1
1 86 . 18 1 1 A 14 14 CYS H H 14 8.691 8.916 -0.225 1
1 87 . 18 1 1 A 14 14 CYS HA H 14 5.195 5.276 -0.081 1
1 90 . 18 1 1 A 15 15 GLY H H 15 9.670 8.933 0.737 1
1 91 . 18 1 1 A 15 15 GLY HA2 H 15 4.741 4.165 0.576 1
1 92 . 18 1 1 A 15 15 GLY HA3 H 15 4.103 4.229 -0.126 1
1 93 . 18 1 1 A 16 16 SER H H 16 8.986 9.323 -0.337 1
1 94 . 18 1 1 A 16 16 SER HA H 16 3.968 4.222 -0.254 1
1 97 . 18 1 1 A 17 17 ASP H H 17 8.117 7.926 0.191 1
1 98 . 18 1 1 A 17 17 ASP HA H 17 4.504 4.555 -0.051 1
1 101 . 18 1 1 A 18 18 GLY H H 18 8.343 8.180 0.163 1
1 102 . 18 1 1 A 18 18 GLY HA2 H 18 3.687 3.894 -0.207 1
1 103 . 18 1 1 A 18 18 GLY HA3 H 18 4.013 3.896 0.117 1
1 104 . 18 1 1 A 19 19 ARG H H 19 7.461 7.664 -0.203 1
1 105 . 18 1 1 A 19 19 ARG HA H 19 4.386 4.588 -0.202 1
1 113 . 18 1 1 A 20 20 THR H H 20 8.285 8.255 0.030 1
1 114 . 18 1 1 A 20 20 THR HA H 20 4.936 5.142 -0.206 1
1 119 . 18 1 1 A 21 21 TYR H H 21 9.145 8.827 0.318 1
1 120 . 18 1 1 A 21 21 TYR HA H 21 4.531 4.900 -0.369 1
1 127 . 18 1 1 A 22 22 ALA H H 22 8.861 8.702 0.159 1
1 128 . 18 1 1 A 22 22 ALA HA H 22 3.843 4.193 -0.350 1
1 132 . 18 1 1 A 23 23 ASN H H 23 7.100 7.696 -0.596 1
1 133 . 18 1 1 A 23 23 ASN HA H 23 4.910 5.295 -0.385 1
1 138 . 18 1 1 A 24 24 SER H H 24 9.422 8.978 0.444 1
1 139 . 18 1 1 A 24 24 SER HA H 24 3.905 4.110 -0.205 1
1 140 . 18 1 1 A 25 25 CYS H H 25 8.132 8.107 0.025 1
1 141 . 18 1 1 A 25 25 CYS HA H 25 4.110 4.029 0.081 1
1 144 . 18 1 1 A 26 26 ILE H H 26 8.022 8.093 -0.071 1
1 145 . 18 1 1 A 26 26 ILE HA H 26 3.810 3.545 0.265 1
1 152 . 18 1 1 A 27 27 ALA H H 27 7.326 8.109 -0.783 1
1 153 . 18 1 1 A 27 27 ALA HA H 27 2.798 3.288 -0.490 1
1 157 . 18 1 1 A 28 28 ARG H H 28 7.847 8.034 -0.187 1
1 158 . 18 1 1 A 28 28 ARG HA H 28 3.947 3.994 -0.047 1
1 163 . 18 1 1 A 29 29 CYS H H 29 8.523 7.680 0.843 1
1 164 . 18 1 1 A 29 29 CYS HA H 29 4.128 4.127 0.001 1
1 167 . 18 1 1 A 30 30 ASN H H 30 7.401 7.945 -0.544 1
1 168 . 18 1 1 A 30 30 ASN HA H 30 4.537 4.582 -0.045 1
1 173 . 18 1 1 A 31 31 GLY H H 31 7.919 8.030 -0.111 1
1 174 . 18 1 1 A 31 31 GLY HA2 H 31 3.731 3.908 -0.177 1
1 175 . 18 1 1 A 31 31 GLY HA3 H 31 3.915 3.914 0.001 1
1 176 . 18 1 1 A 32 32 VAL H H 32 7.316 7.263 0.053 1
1 177 . 18 1 1 A 32 32 VAL HA H 32 4.212 4.674 -0.462 1
1 185 . 18 1 1 A 33 33 SER H H 33 8.039 8.908 -0.869 1
1 186 . 18 1 1 A 33 33 SER HA H 33 4.378 4.631 -0.253 1
1 189 . 18 1 1 A 34 34 ILE H H 34 8.555 8.466 0.089 1
1 190 . 18 1 1 A 34 34 ILE HA H 34 3.867 4.308 -0.441 1
1 200 . 18 1 1 A 35 35 LYS H H 35 9.177 9.153 0.024 1
1 201 . 18 1 1 A 35 35 LYS HA H 35 4.243 4.229 0.014 1
1 206 . 18 1 1 A 36 36 SER H H 36 7.740 7.669 0.071 1
1 207 . 18 1 1 A 36 36 SER HA H 36 4.496 4.946 -0.450 1
1 210 . 18 1 1 A 37 37 GLU H H 37 8.608 8.635 -0.027 1
1 211 . 18 1 1 A 37 37 GLU HA H 37 4.304 4.168 0.136 1
1 216 . 18 1 1 A 38 38 GLY H H 38 7.992 8.125 -0.133 1
1 217 . 18 1 1 A 38 38 GLY HA2 H 38 3.481 4.078 -0.597 1
1 218 . 18 1 1 A 38 38 GLY HA3 H 38 4.222 4.080 0.142 1
1 219 . 18 1 1 A 39 39 SER H H 39 7.776 8.344 -0.568 1
1 220 . 18 1 1 A 39 39 SER HA H 39 4.092 4.351 -0.259 1
1 223 . 18 1 1 A 40 40 CYS H H 40 8.398 8.592 -0.194 1
1 224 . 18 1 1 A 40 40 CYS HA H 40 4.614 5.083 -0.469 1
1 227 . 18 1 1 A 41 41 PRO HA H 41 4.397 4.682 -0.285 1
1 234 . 18 1 1 A 42 42 THR H H 42 8.192 8.349 -0.157 1
1 235 . 18 1 1 A 42 42 THR HA H 42 4.171 4.375 -0.204 1
1 240 . 18 1 1 A 43 43 GLY H H 43 8.299 8.095 0.204 1
1 241 . 18 1 1 A 43 43 GLY HA2 H 43 3.889 3.931 -0.042 1
1 242 . 18 1 1 A 43 43 GLY HA3 H 43 3.889 3.931 -0.042 1
1 2 . 19 1 1 A 2 2 LYS H H 2 8.634 8.738 -0.104 1
1 3 . 19 1 1 A 2 2 LYS HA H 2 4.309 4.907 -0.598 1
1 10 . 19 1 1 A 3 3 VAL H H 3 8.358 8.631 -0.273 1
1 11 . 19 1 1 A 3 3 VAL HA H 3 3.981 4.273 -0.292 1
1 19 . 19 1 1 A 4 4 CYS H H 4 8.569 8.487 0.082 1
1 20 . 19 1 1 A 4 4 CYS HA H 4 4.580 4.309 0.271 1
1 23 . 19 1 1 A 5 5 ALA H H 5 8.510 7.620 0.890 1
1 24 . 19 1 1 A 5 5 ALA HA H 5 4.293 4.567 -0.274 1
1 28 . 19 1 1 A 6 6 CYS H H 6 8.262 8.562 -0.300 1
1 29 . 19 1 1 A 6 6 CYS HA H 6 4.790 4.711 0.079 1
1 32 . 19 1 1 A 7 7 PRO HA H 7 4.445 4.739 -0.294 1
1 39 . 19 1 1 A 8 8 LYS H H 8 8.581 8.487 0.094 1
1 40 . 19 1 1 A 8 8 LYS HA H 8 4.196 4.466 -0.270 1
1 43 . 19 1 1 A 9 9 ILE H H 9 6.998 7.366 -0.368 1
1 44 . 19 1 1 A 9 9 ILE HA H 9 4.046 4.163 -0.117 1
1 53 . 19 1 1 A 10 10 LEU H H 10 8.616 8.615 0.001 1
1 54 . 19 1 1 A 10 10 LEU HA H 10 4.612 4.781 -0.169 1
1 64 . 19 1 1 A 11 11 LYS H H 11 8.698 8.597 0.101 1
1 65 . 19 1 1 A 11 11 LYS HA H 11 4.524 4.876 -0.352 1
1 70 . 19 1 1 A 12 12 PRO HA H 12 4.553 4.898 -0.345 1
1 77 . 19 1 1 A 13 13 VAL H H 13 8.273 8.295 -0.022 1
1 78 . 19 1 1 A 13 13 VAL HA H 13 4.660 4.756 -0.096 1
1 86 . 19 1 1 A 14 14 CYS H H 14 8.691 8.729 -0.038 1
1 87 . 19 1 1 A 14 14 CYS HA H 14 5.195 5.111 0.084 1
1 90 . 19 1 1 A 15 15 GLY H H 15 9.670 9.112 0.558 1
1 91 . 19 1 1 A 15 15 GLY HA2 H 15 4.741 4.206 0.535 1
1 92 . 19 1 1 A 15 15 GLY HA3 H 15 4.103 4.328 -0.225 1
1 93 . 19 1 1 A 16 16 SER H H 16 8.986 9.085 -0.099 1
1 94 . 19 1 1 A 16 16 SER HA H 16 3.968 4.261 -0.293 1
1 97 . 19 1 1 A 17 17 ASP H H 17 8.117 7.858 0.259 1
1 98 . 19 1 1 A 17 17 ASP HA H 17 4.504 4.686 -0.182 1
1 101 . 19 1 1 A 18 18 GLY H H 18 8.343 8.269 0.074 1
1 102 . 19 1 1 A 18 18 GLY HA2 H 18 3.687 3.920 -0.233 1
1 103 . 19 1 1 A 18 18 GLY HA3 H 18 4.013 3.924 0.089 1
1 104 . 19 1 1 A 19 19 ARG H H 19 7.461 7.916 -0.455 1
1 105 . 19 1 1 A 19 19 ARG HA H 19 4.386 4.346 0.040 1
1 113 . 19 1 1 A 20 20 THR H H 20 8.285 8.145 0.140 1
1 114 . 19 1 1 A 20 20 THR HA H 20 4.936 5.211 -0.275 1
1 119 . 19 1 1 A 21 21 TYR H H 21 9.145 8.658 0.487 1
1 120 . 19 1 1 A 21 21 TYR HA H 21 4.531 4.923 -0.392 1
1 127 . 19 1 1 A 22 22 ALA H H 22 8.861 8.850 0.011 1
1 128 . 19 1 1 A 22 22 ALA HA H 22 3.843 4.234 -0.391 1
1 132 . 19 1 1 A 23 23 ASN H H 23 7.100 7.703 -0.603 1
1 133 . 19 1 1 A 23 23 ASN HA H 23 4.910 5.206 -0.296 1
1 138 . 19 1 1 A 24 24 SER H H 24 9.422 8.734 0.688 1
1 139 . 19 1 1 A 24 24 SER HA H 24 3.905 4.124 -0.219 1
1 140 . 19 1 1 A 25 25 CYS H H 25 8.132 8.123 0.009 1
1 141 . 19 1 1 A 25 25 CYS HA H 25 4.110 4.045 0.065 1
1 144 . 19 1 1 A 26 26 ILE H H 26 8.022 8.117 -0.095 1
1 145 . 19 1 1 A 26 26 ILE HA H 26 3.810 3.817 -0.007 1
1 152 . 19 1 1 A 27 27 ALA H H 27 7.326 8.121 -0.795 1
1 153 . 19 1 1 A 27 27 ALA HA H 27 2.798 3.088 -0.290 1
1 157 . 19 1 1 A 28 28 ARG H H 28 7.847 7.947 -0.100 1
1 158 . 19 1 1 A 28 28 ARG HA H 28 3.947 4.117 -0.170 1
1 163 . 19 1 1 A 29 29 CYS H H 29 8.523 8.113 0.410 1
1 164 . 19 1 1 A 29 29 CYS HA H 29 4.128 4.214 -0.086 1
1 167 . 19 1 1 A 30 30 ASN H H 30 7.401 7.662 -0.261 1
1 168 . 19 1 1 A 30 30 ASN HA H 30 4.537 4.705 -0.168 1
1 173 . 19 1 1 A 31 31 GLY H H 31 7.919 7.677 0.242 1
1 174 . 19 1 1 A 31 31 GLY HA2 H 31 3.731 3.996 -0.265 1
1 175 . 19 1 1 A 31 31 GLY HA3 H 31 3.915 4.007 -0.092 1
1 176 . 19 1 1 A 32 32 VAL H H 32 7.316 7.288 0.028 1
1 177 . 19 1 1 A 32 32 VAL HA H 32 4.212 4.669 -0.457 1
1 185 . 19 1 1 A 33 33 SER H H 33 8.039 8.889 -0.850 1
1 186 . 19 1 1 A 33 33 SER HA H 33 4.378 4.816 -0.438 1
1 189 . 19 1 1 A 34 34 ILE H H 34 8.555 8.403 0.152 1
1 190 . 19 1 1 A 34 34 ILE HA H 34 3.867 4.076 -0.209 1
1 200 . 19 1 1 A 35 35 LYS H H 35 9.177 9.029 0.148 1
1 201 . 19 1 1 A 35 35 LYS HA H 35 4.243 4.225 0.018 1
1 206 . 19 1 1 A 36 36 SER H H 36 7.740 7.861 -0.121 1
1 207 . 19 1 1 A 36 36 SER HA H 36 4.496 5.066 -0.570 1
1 210 . 19 1 1 A 37 37 GLU H H 37 8.608 8.565 0.043 1
1 211 . 19 1 1 A 37 37 GLU HA H 37 4.304 4.523 -0.219 1
1 216 . 19 1 1 A 38 38 GLY H H 38 7.992 8.274 -0.282 1
1 217 . 19 1 1 A 38 38 GLY HA2 H 38 3.481 4.086 -0.605 1
1 218 . 19 1 1 A 38 38 GLY HA3 H 38 4.222 4.089 0.133 1
1 219 . 19 1 1 A 39 39 SER H H 39 7.776 8.529 -0.753 1
1 220 . 19 1 1 A 39 39 SER HA H 39 4.092 4.339 -0.247 1
1 223 . 19 1 1 A 40 40 CYS H H 40 8.398 7.992 0.406 1
1 224 . 19 1 1 A 40 40 CYS HA H 40 4.614 4.794 -0.180 1
1 227 . 19 1 1 A 41 41 PRO HA H 41 4.397 4.595 -0.198 1
1 234 . 19 1 1 A 42 42 THR H H 42 8.192 8.334 -0.142 1
1 235 . 19 1 1 A 42 42 THR HA H 42 4.171 4.174 -0.003 1
1 240 . 19 1 1 A 43 43 GLY H H 43 8.299 8.393 -0.094 1
1 241 . 19 1 1 A 43 43 GLY HA2 H 43 3.889 3.700 0.189 1
1 242 . 19 1 1 A 43 43 GLY HA3 H 43 3.889 3.700 0.189 1
1 2 . 20 1 1 A 2 2 LYS H H 2 8.634 8.140 0.494 1
1 3 . 20 1 1 A 2 2 LYS HA H 2 4.309 4.627 -0.318 1
1 10 . 20 1 1 A 3 3 VAL H H 3 8.358 7.814 0.544 1
1 11 . 20 1 1 A 3 3 VAL HA H 3 3.981 3.656 0.325 1
1 19 . 20 1 1 A 4 4 CYS H H 4 8.569 7.612 0.957 1
1 20 . 20 1 1 A 4 4 CYS HA H 4 4.580 4.438 0.142 1
1 23 . 20 1 1 A 5 5 ALA H H 5 8.510 8.559 -0.049 1
1 24 . 20 1 1 A 5 5 ALA HA H 5 4.293 4.848 -0.555 1
1 28 . 20 1 1 A 6 6 CYS H H 6 8.262 8.471 -0.209 1
1 29 . 20 1 1 A 6 6 CYS HA H 6 4.790 4.631 0.159 1
1 32 . 20 1 1 A 7 7 PRO HA H 7 4.445 4.805 -0.360 1
1 39 . 20 1 1 A 8 8 LYS H H 8 8.581 8.066 0.515 1
1 40 . 20 1 1 A 8 8 LYS HA H 8 4.196 4.621 -0.425 1
1 43 . 20 1 1 A 9 9 ILE H H 9 6.998 7.303 -0.305 1
1 44 . 20 1 1 A 9 9 ILE HA H 9 4.046 4.181 -0.135 1
1 53 . 20 1 1 A 10 10 LEU H H 10 8.616 8.576 0.040 1
1 54 . 20 1 1 A 10 10 LEU HA H 10 4.612 4.642 -0.030 1
1 64 . 20 1 1 A 11 11 LYS H H 11 8.698 8.066 0.632 1
1 65 . 20 1 1 A 11 11 LYS HA H 11 4.524 4.885 -0.361 1
1 70 . 20 1 1 A 12 12 PRO HA H 12 4.553 4.670 -0.117 1
1 77 . 20 1 1 A 13 13 VAL H H 13 8.273 8.024 0.249 1
1 78 . 20 1 1 A 13 13 VAL HA H 13 4.660 4.766 -0.106 1
1 86 . 20 1 1 A 14 14 CYS H H 14 8.691 8.712 -0.021 1
1 87 . 20 1 1 A 14 14 CYS HA H 14 5.195 5.038 0.157 1
1 90 . 20 1 1 A 15 15 GLY H H 15 9.670 8.974 0.696 1
1 91 . 20 1 1 A 15 15 GLY HA2 H 15 4.741 4.177 0.564 1
1 92 . 20 1 1 A 15 15 GLY HA3 H 15 4.103 4.275 -0.172 1
1 93 . 20 1 1 A 16 16 SER H H 16 8.986 9.016 -0.030 1
1 94 . 20 1 1 A 16 16 SER HA H 16 3.968 4.211 -0.243 1
1 97 . 20 1 1 A 17 17 ASP H H 17 8.117 7.912 0.205 1
1 98 . 20 1 1 A 17 17 ASP HA H 17 4.504 4.675 -0.171 1
1 101 . 20 1 1 A 18 18 GLY H H 18 8.343 8.262 0.081 1
1 102 . 20 1 1 A 18 18 GLY HA2 H 18 3.687 3.931 -0.244 1
1 103 . 20 1 1 A 18 18 GLY HA3 H 18 4.013 3.938 0.075 1
1 104 . 20 1 1 A 19 19 ARG H H 19 7.461 7.932 -0.471 1
1 105 . 20 1 1 A 19 19 ARG HA H 19 4.386 4.291 0.095 1
1 113 . 20 1 1 A 20 20 THR H H 20 8.285 8.269 0.016 1
1 114 . 20 1 1 A 20 20 THR HA H 20 4.936 5.275 -0.339 1
1 119 . 20 1 1 A 21 21 TYR H H 21 9.145 8.497 0.648 1
1 120 . 20 1 1 A 21 21 TYR HA H 21 4.531 4.907 -0.376 1
1 127 . 20 1 1 A 22 22 ALA H H 22 8.861 8.835 0.026 1
1 128 . 20 1 1 A 22 22 ALA HA H 22 3.843 4.231 -0.388 1
1 132 . 20 1 1 A 23 23 ASN H H 23 7.100 7.759 -0.659 1
1 133 . 20 1 1 A 23 23 ASN HA H 23 4.910 5.259 -0.349 1
1 138 . 20 1 1 A 24 24 SER H H 24 9.422 8.826 0.596 1
1 139 . 20 1 1 A 24 24 SER HA H 24 3.905 4.041 -0.136 1
1 140 . 20 1 1 A 25 25 CYS H H 25 8.132 8.052 0.080 1
1 141 . 20 1 1 A 25 25 CYS HA H 25 4.110 4.087 0.023 1
1 144 . 20 1 1 A 26 26 ILE H H 26 8.022 8.190 -0.168 1
1 145 . 20 1 1 A 26 26 ILE HA H 26 3.810 3.771 0.039 1
1 152 . 20 1 1 A 27 27 ALA H H 27 7.326 8.114 -0.788 1
1 153 . 20 1 1 A 27 27 ALA HA H 27 2.798 3.181 -0.383 1
1 157 . 20 1 1 A 28 28 ARG H H 28 7.847 7.986 -0.139 1
1 158 . 20 1 1 A 28 28 ARG HA H 28 3.947 4.076 -0.129 1
1 163 . 20 1 1 A 29 29 CYS H H 29 8.523 7.700 0.823 1
1 164 . 20 1 1 A 29 29 CYS HA H 29 4.128 4.089 0.039 1
1 167 . 20 1 1 A 30 30 ASN H H 30 7.401 7.625 -0.224 1
1 168 . 20 1 1 A 30 30 ASN HA H 30 4.537 4.716 -0.179 1
1 173 . 20 1 1 A 31 31 GLY H H 31 7.919 8.197 -0.278 1
1 174 . 20 1 1 A 31 31 GLY HA2 H 31 3.731 3.950 -0.219 1
1 175 . 20 1 1 A 31 31 GLY HA3 H 31 3.915 3.959 -0.044 1
1 176 . 20 1 1 A 32 32 VAL H H 32 7.316 7.688 -0.372 1
1 177 . 20 1 1 A 32 32 VAL HA H 32 4.212 4.185 0.027 1
1 185 . 20 1 1 A 33 33 SER H H 33 8.039 8.665 -0.626 1
1 186 . 20 1 1 A 33 33 SER HA H 33 4.378 4.727 -0.349 1
1 189 . 20 1 1 A 34 34 ILE H H 34 8.555 8.429 0.126 1
1 190 . 20 1 1 A 34 34 ILE HA H 34 3.867 4.295 -0.428 1
1 200 . 20 1 1 A 35 35 LYS H H 35 9.177 9.309 -0.132 1
1 201 . 20 1 1 A 35 35 LYS HA H 35 4.243 4.210 0.033 1
1 206 . 20 1 1 A 36 36 SER H H 36 7.740 7.402 0.338 1
1 207 . 20 1 1 A 36 36 SER HA H 36 4.496 4.631 -0.135 1
1 210 . 20 1 1 A 37 37 GLU H H 37 8.608 8.606 0.002 1
1 211 . 20 1 1 A 37 37 GLU HA H 37 4.304 4.365 -0.061 1
1 216 . 20 1 1 A 38 38 GLY H H 38 7.992 8.415 -0.423 1
1 217 . 20 1 1 A 38 38 GLY HA2 H 38 3.481 4.072 -0.591 1
1 218 . 20 1 1 A 38 38 GLY HA3 H 38 4.222 4.075 0.147 1
1 219 . 20 1 1 A 39 39 SER H H 39 7.776 8.529 -0.753 1
1 220 . 20 1 1 A 39 39 SER HA H 39 4.092 4.344 -0.252 1
1 223 . 20 1 1 A 40 40 CYS H H 40 8.398 7.981 0.417 1
1 224 . 20 1 1 A 40 40 CYS HA H 40 4.614 4.758 -0.144 1
1 227 . 20 1 1 A 41 41 PRO HA H 41 4.397 4.626 -0.229 1
1 234 . 20 1 1 A 42 42 THR H H 42 8.192 8.336 -0.144 1
1 235 . 20 1 1 A 42 42 THR HA H 42 4.171 4.074 0.097 1
1 240 . 20 1 1 A 43 43 GLY H H 43 8.299 8.088 0.211 1
1 241 . 20 1 1 A 43 43 GLY HA2 H 43 3.889 3.995 -0.106 1
1 242 . 20 1 1 A 43 43 GLY HA3 H 43 3.889 3.995 -0.106 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 0.436 1
5 1 1 1 "RMS(OBS, PRED)" HA 47 0.281 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 0.496 1
11 1 2 1 "RMS(OBS, PRED)" HA 47 0.249 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 0.446 1
17 1 3 1 "RMS(OBS, PRED)" HA 47 0.258 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 0.462 1
23 1 4 1 "RMS(OBS, PRED)" HA 47 0.255 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 0.410 1
29 1 5 1 "RMS(OBS, PRED)" HA 47 0.327 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 0.456 1
35 1 6 1 "RMS(OBS, PRED)" HA 47 0.236 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 47 0.258 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 0.465 1
47 1 8 1 "RMS(OBS, PRED)" HA 47 0.275 1
48 1 8 1 "RMS(OBS, PRED)" N 0 0.000 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 0 0.000 1
51 1 9 1 "RMS(OBS, PRED)" CB 0 0.000 1
52 1 9 1 "RMS(OBS, PRED)" H 39 0.445 1
53 1 9 1 "RMS(OBS, PRED)" HA 47 0.242 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 0.434 1
59 1 10 1 "RMS(OBS, PRED)" HA 47 0.231 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 0.437 1
65 1 11 1 "RMS(OBS, PRED)" HA 47 0.252 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 0.416 1
71 1 12 1 "RMS(OBS, PRED)" HA 47 0.305 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 0.407 1
77 1 13 1 "RMS(OBS, PRED)" HA 47 0.284 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 0.412 1
83 1 14 1 "RMS(OBS, PRED)" HA 47 0.269 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 0.401 1
89 1 15 1 "RMS(OBS, PRED)" HA 47 0.237 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 0.413 1
95 1 16 1 "RMS(OBS, PRED)" HA 47 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 0.401 1
101 1 17 1 "RMS(OBS, PRED)" HA 47 0.337 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 0.388 1
107 1 18 1 "RMS(OBS, PRED)" HA 47 0.280 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 0.377 1
113 1 19 1 "RMS(OBS, PRED)" HA 47 0.279 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 0.442 1
119 1 20 1 "RMS(OBS, PRED)" HA 47 0.260 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 8.634 8.460 0.174 2
1 3 . 1 1 A 2 2 LYS HA H 2 4.309 4.685 -0.376 2
1 10 . 1 1 A 3 3 VAL H H 3 8.358 8.133 0.225 2
1 11 . 1 1 A 3 3 VAL HA H 3 3.981 4.053 -0.072 2
1 19 . 1 1 A 4 4 CYS H H 4 8.569 8.386 0.183 2
1 20 . 1 1 A 4 4 CYS HA H 4 4.580 4.557 0.023 2
1 23 . 1 1 A 5 5 ALA H H 5 8.510 8.072 0.438 2
1 24 . 1 1 A 5 5 ALA HA H 5 4.293 4.420 -0.128 2
1 28 . 1 1 A 6 6 CYS H H 6 8.262 8.289 -0.027 2
1 29 . 1 1 A 6 6 CYS HA H 6 4.790 4.633 0.157 2
1 32 . 1 1 A 7 7 PRO HA H 7 4.445 4.725 -0.280 2
1 39 . 1 1 A 8 8 LYS H H 8 8.581 8.257 0.324 2
1 40 . 1 1 A 8 8 LYS HA H 8 4.196 4.397 -0.201 2
1 43 . 1 1 A 9 9 ILE H H 9 6.998 7.295 -0.297 2
1 44 . 1 1 A 9 9 ILE HA H 9 4.046 4.059 -0.013 2
1 53 . 1 1 A 10 10 LEU H H 10 8.616 8.540 0.076 2
1 54 . 1 1 A 10 10 LEU HA H 10 4.612 4.541 0.071 2
1 64 . 1 1 A 11 11 LYS H H 11 8.698 8.141 0.557 2
1 65 . 1 1 A 11 11 LYS HA H 11 4.524 4.891 -0.367 2
1 70 . 1 1 A 12 12 PRO HA H 12 4.553 4.734 -0.181 2
1 77 . 1 1 A 13 13 VAL H H 13 8.273 8.071 0.202 2
1 78 . 1 1 A 13 13 VAL HA H 13 4.660 4.801 -0.141 2
1 86 . 1 1 A 14 14 CYS H H 14 8.691 8.811 -0.120 2
1 87 . 1 1 A 14 14 CYS HA H 14 5.195 5.158 0.037 2
1 90 . 1 1 A 15 15 GLY H H 15 9.670 9.095 0.575 2
1 91 . 1 1 A 15 15 GLY HA2 H 15 4.741 4.189 0.552 2
1 92 . 1 1 A 15 15 GLY HA3 H 15 4.103 4.297 -0.194 2
1 93 . 1 1 A 16 16 SER H H 16 8.986 9.025 -0.039 2
1 94 . 1 1 A 16 16 SER HA H 16 3.968 4.201 -0.233 2
1 97 . 1 1 A 17 17 ASP H H 17 8.117 7.916 0.201 2
1 98 . 1 1 A 17 17 ASP HA H 17 4.504 4.668 -0.164 2
1 101 . 1 1 A 18 18 GLY H H 18 8.343 8.352 -0.009 2
1 102 . 1 1 A 18 18 GLY HA2 H 18 3.687 3.888 -0.201 2
1 103 . 1 1 A 18 18 GLY HA3 H 18 4.013 3.892 0.121 2
1 104 . 1 1 A 19 19 ARG H H 19 7.461 7.745 -0.284 2
1 105 . 1 1 A 19 19 ARG HA H 19 4.386 4.456 -0.070 2
1 113 . 1 1 A 20 20 THR H H 20 8.285 8.275 0.010 2
1 114 . 1 1 A 20 20 THR HA H 20 4.936 5.169 -0.233 2
1 119 . 1 1 A 21 21 TYR H H 21 9.145 8.537 0.608 2
1 120 . 1 1 A 21 21 TYR HA H 21 4.531 4.916 -0.385 2
1 127 . 1 1 A 22 22 ALA H H 22 8.861 8.826 0.035 2
1 128 . 1 1 A 22 22 ALA HA H 22 3.843 4.226 -0.383 2
1 132 . 1 1 A 23 23 ASN H H 23 7.100 7.762 -0.662 2
1 133 . 1 1 A 23 23 ASN HA H 23 4.910 5.255 -0.345 2
1 138 . 1 1 A 24 24 SER H H 24 9.422 8.807 0.615 2
1 139 . 1 1 A 24 24 SER HA H 24 3.905 4.081 -0.176 2
1 140 . 1 1 A 25 25 CYS H H 25 8.132 8.047 0.085 2
1 141 . 1 1 A 25 25 CYS HA H 25 4.110 4.098 0.012 2
1 144 . 1 1 A 26 26 ILE H H 26 8.022 8.108 -0.086 2
1 145 . 1 1 A 26 26 ILE HA H 26 3.810 3.780 0.030 2
1 152 . 1 1 A 27 27 ALA H H 27 7.326 8.056 -0.730 2
1 153 . 1 1 A 27 27 ALA HA H 27 2.798 3.087 -0.289 2
1 157 . 1 1 A 28 28 ARG H H 28 7.847 8.021 -0.174 2
1 158 . 1 1 A 28 28 ARG HA H 28 3.947 4.185 -0.238 2
1 163 . 1 1 A 29 29 CYS H H 29 8.523 7.754 0.769 2
1 164 . 1 1 A 29 29 CYS HA H 29 4.128 4.105 0.023 2
1 167 . 1 1 A 30 30 ASN H H 30 7.401 7.665 -0.264 2
1 168 . 1 1 A 30 30 ASN HA H 30 4.537 4.663 -0.126 2
1 173 . 1 1 A 31 31 GLY H H 31 7.919 8.262 -0.343 2
1 174 . 1 1 A 31 31 GLY HA2 H 31 3.731 3.925 -0.194 2
1 175 . 1 1 A 31 31 GLY HA3 H 31 3.915 3.933 -0.018 2
1 176 . 1 1 A 32 32 VAL H H 32 7.316 7.582 -0.266 2
1 177 . 1 1 A 32 32 VAL HA H 32 4.212 4.466 -0.254 2
1 185 . 1 1 A 33 33 SER H H 33 8.039 8.772 -0.733 2
1 186 . 1 1 A 33 33 SER HA H 33 4.378 4.761 -0.383 2
1 189 . 1 1 A 34 34 ILE H H 34 8.555 8.449 0.106 2
1 190 . 1 1 A 34 34 ILE HA H 34 3.867 4.297 -0.430 2
1 200 . 1 1 A 35 35 LYS H H 35 9.177 9.173 0.004 2
1 201 . 1 1 A 35 35 LYS HA H 35 4.243 4.210 0.033 2
1 206 . 1 1 A 36 36 SER H H 36 7.740 7.573 0.167 2
1 207 . 1 1 A 36 36 SER HA H 36 4.496 4.771 -0.275 2
1 210 . 1 1 A 37 37 GLU H H 37 8.608 8.623 -0.015 2
1 211 . 1 1 A 37 37 GLU HA H 37 4.304 4.376 -0.072 2
1 216 . 1 1 A 38 38 GLY H H 38 7.992 8.320 -0.328 2
1 217 . 1 1 A 38 38 GLY HA2 H 38 3.481 4.080 -0.599 2
1 218 . 1 1 A 38 38 GLY HA3 H 38 4.222 4.082 0.140 2
1 219 . 1 1 A 39 39 SER H H 39 7.776 8.410 -0.634 2
1 220 . 1 1 A 39 39 SER HA H 39 4.092 4.364 -0.272 2
1 223 . 1 1 A 40 40 CYS H H 40 8.398 8.140 0.258 2
1 224 . 1 1 A 40 40 CYS HA H 40 4.614 4.910 -0.296 2
1 227 . 1 1 A 41 41 PRO HA H 41 4.397 4.641 -0.244 2
1 234 . 1 1 A 42 42 THR H H 42 8.192 8.507 -0.315 2
1 235 . 1 1 A 42 42 THR HA H 42 4.171 4.348 -0.177 2
1 240 . 1 1 A 43 43 GLY H H 43 8.299 8.152 0.147 2
1 241 . 1 1 A 43 43 GLY HA2 H 43 3.889 3.957 -0.068 2
1 242 . 1 1 A 43 43 GLY HA3 H 43 3.889 3.958 -0.069 2
stop_
save_