data_16436_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16436
_Entry.PDB_ID 2KMO
_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 8.629 7.738 0.891 1
1 3 . 1 1 1 A 2 2 LYS HA H 2 4.345 4.455 -0.110 1
1 8 . 1 1 1 A 3 3 VAL H H 3 8.359 7.436 0.923 1
1 9 . 1 1 1 A 3 3 VAL HA H 3 4.051 3.896 0.155 1
1 17 . 1 1 1 A 4 4 CYS H H 4 8.384 8.622 -0.238 1
1 18 . 1 1 1 A 4 4 CYS HA H 4 4.416 4.494 -0.078 1
1 21 . 1 1 1 A 5 5 ALA H H 5 8.373 8.284 0.089 1
1 22 . 1 1 1 A 5 5 ALA HA H 5 4.400 4.399 0.001 1
1 26 . 1 1 1 A 6 6 CYS H H 6 8.110 8.115 -0.005 1
1 27 . 1 1 1 A 6 6 CYS HA H 6 5.098 5.078 0.020 1
1 30 . 1 1 1 A 7 7 PRO HA H 7 4.427 4.707 -0.280 1
1 37 . 1 1 1 A 8 8 LYS H H 8 8.660 8.816 -0.156 1
1 38 . 1 1 1 A 8 8 LYS HA H 8 4.229 4.136 0.093 1
1 47 . 1 1 1 A 9 9 ILE H H 9 6.860 7.353 -0.493 1
1 48 . 1 1 1 A 9 9 ILE HA H 9 4.076 3.999 0.077 1
1 58 . 1 1 1 A 10 10 LEU H H 10 8.603 8.839 -0.236 1
1 59 . 1 1 1 A 10 10 LEU HA H 10 4.618 4.643 -0.025 1
1 69 . 1 1 1 A 11 11 LYS H H 11 8.814 7.906 0.908 1
1 70 . 1 1 1 A 11 11 LYS HA H 11 4.533 4.894 -0.361 1
1 77 . 1 1 1 A 12 12 PRO HA H 12 4.570 4.799 -0.229 1
1 84 . 1 1 1 A 13 13 VAL H H 13 8.283 8.404 -0.121 1
1 85 . 1 1 1 A 13 13 VAL HA H 13 4.672 4.818 -0.146 1
1 93 . 1 1 1 A 14 14 CYS H H 14 8.695 8.947 -0.252 1
1 94 . 1 1 1 A 14 14 CYS HA H 14 5.205 4.920 0.285 1
1 97 . 1 1 1 A 15 15 GLY H H 15 9.670 8.894 0.776 1
1 98 . 1 1 1 A 15 15 GLY HA2 H 15 4.754 4.280 0.474 1
1 99 . 1 1 1 A 15 15 GLY HA3 H 15 4.109 4.367 -0.258 1
1 100 . 1 1 1 A 16 16 SER H H 16 9.001 9.046 -0.045 1
1 101 . 1 1 1 A 16 16 SER HA H 16 3.982 4.117 -0.135 1
1 104 . 1 1 1 A 17 17 ASP H H 17 8.114 7.835 0.279 1
1 105 . 1 1 1 A 17 17 ASP HA H 17 4.524 4.702 -0.178 1
1 108 . 1 1 1 A 18 18 GLY H H 18 8.360 8.046 0.314 1
1 109 . 1 1 1 A 18 18 GLY HA2 H 18 3.698 3.911 -0.213 1
1 110 . 1 1 1 A 18 18 GLY HA3 H 18 4.025 3.914 0.111 1
1 111 . 1 1 1 A 19 19 ARG H H 19 7.439 7.902 -0.463 1
1 112 . 1 1 1 A 19 19 ARG HA H 19 4.398 4.206 0.192 1
1 119 . 1 1 1 A 20 20 THR H H 20 8.292 8.191 0.101 1
1 120 . 1 1 1 A 20 20 THR HA H 20 4.950 4.865 0.085 1
1 125 . 1 1 1 A 21 21 TYR H H 21 9.153 8.669 0.484 1
1 126 . 1 1 1 A 21 21 TYR HA H 21 4.548 4.957 -0.409 1
1 133 . 1 1 1 A 22 22 ALA H H 22 8.884 8.724 0.160 1
1 134 . 1 1 1 A 22 22 ALA HA H 22 3.858 4.201 -0.343 1
1 138 . 1 1 1 A 23 23 ASN H H 23 7.112 7.840 -0.728 1
1 139 . 1 1 1 A 23 23 ASN HA H 23 4.904 5.295 -0.391 1
1 144 . 1 1 1 A 24 24 SER H H 24 9.338 8.852 0.486 1
1 145 . 1 1 1 A 24 24 SER HA H 24 3.904 4.004 -0.100 1
1 146 . 1 1 1 A 25 25 CYS H H 25 8.018 8.145 -0.127 1
1 147 . 1 1 1 A 25 25 CYS HA H 25 4.224 4.041 0.183 1
1 150 . 1 1 1 A 26 26 ILE H H 26 8.121 7.557 0.564 1
1 151 . 1 1 1 A 26 26 ILE HA H 26 3.555 3.852 -0.297 1
1 158 . 1 1 1 A 27 27 ALA H H 27 7.235 8.247 -1.012 1
1 159 . 1 1 1 A 27 27 ALA HA H 27 2.789 3.141 -0.352 1
1 163 . 1 1 1 A 28 28 ARG H H 28 7.934 8.278 -0.344 1
1 164 . 1 1 1 A 28 28 ARG HA H 28 3.992 3.907 0.085 1
1 172 . 1 1 1 A 29 29 CYS H H 29 8.485 7.561 0.924 1
1 173 . 1 1 1 A 29 29 CYS HA H 29 4.181 4.290 -0.109 1
1 176 . 1 1 1 A 30 30 ASN H H 30 7.464 8.062 -0.598 1
1 177 . 1 1 1 A 30 30 ASN HA H 30 4.667 4.684 -0.017 1
1 182 . 1 1 1 A 31 31 GLY H H 31 7.884 8.186 -0.302 1
1 183 . 1 1 1 A 31 31 GLY HA2 H 31 3.738 3.867 -0.129 1
1 184 . 1 1 1 A 31 31 GLY HA3 H 31 3.929 3.876 0.053 1
1 185 . 1 1 1 A 32 32 VAL H H 32 7.270 7.188 0.082 1
1 186 . 1 1 1 A 32 32 VAL HA H 32 4.228 4.638 -0.410 1
1 194 . 1 1 1 A 33 33 SER H H 33 8.048 8.837 -0.789 1
1 195 . 1 1 1 A 33 33 SER HA H 33 4.410 4.939 -0.529 1
1 198 . 1 1 1 A 34 34 ILE H H 34 8.571 8.534 0.037 1
1 199 . 1 1 1 A 34 34 ILE HA H 34 3.879 4.860 -0.981 1
1 209 . 1 1 1 A 35 35 LYS H H 35 9.176 9.493 -0.317 1
1 210 . 1 1 1 A 35 35 LYS HA H 35 4.251 4.407 -0.156 1
1 215 . 1 1 1 A 36 36 SER H H 36 7.744 7.224 0.520 1
1 216 . 1 1 1 A 36 36 SER HA H 36 4.508 4.725 -0.217 1
1 219 . 1 1 1 A 37 37 GLU H H 37 8.612 8.655 -0.043 1
1 220 . 1 1 1 A 37 37 GLU HA H 37 4.314 4.374 -0.060 1
1 225 . 1 1 1 A 38 38 GLY H H 38 8.008 8.532 -0.524 1
1 226 . 1 1 1 A 38 38 GLY HA2 H 38 3.489 4.049 -0.560 1
1 227 . 1 1 1 A 38 38 GLY HA3 H 38 4.234 4.052 0.182 1
1 228 . 1 1 1 A 39 39 SER H H 39 7.780 8.268 -0.488 1
1 229 . 1 1 1 A 39 39 SER HA H 39 4.109 4.407 -0.298 1
1 232 . 1 1 1 A 40 40 CYS H H 40 8.402 8.317 0.085 1
1 233 . 1 1 1 A 40 40 CYS HA H 40 4.627 4.750 -0.123 1
1 236 . 1 1 1 A 41 41 PRO HA H 41 4.408 4.581 -0.173 1
1 243 . 1 1 1 A 42 42 THR H H 42 8.192 8.553 -0.361 1
1 244 . 1 1 1 A 42 42 THR HA H 42 4.182 4.167 0.015 1
1 249 . 1 1 1 A 43 43 GLY H H 43 8.302 7.926 0.376 1
1 250 . 1 1 1 A 43 43 GLY HA2 H 43 3.900 3.964 -0.064 1
1 251 . 1 1 1 A 43 43 GLY HA3 H 43 3.900 3.964 -0.064 1
1 2 . 2 1 1 A 2 2 LYS H H 2 8.629 8.704 -0.075 1
1 3 . 2 1 1 A 2 2 LYS HA H 2 4.345 4.507 -0.162 1
1 8 . 2 1 1 A 3 3 VAL H H 3 8.359 8.595 -0.236 1
1 9 . 2 1 1 A 3 3 VAL HA H 3 4.051 4.443 -0.392 1
1 17 . 2 1 1 A 4 4 CYS H H 4 8.384 7.779 0.605 1
1 18 . 2 1 1 A 4 4 CYS HA H 4 4.416 4.869 -0.453 1
1 21 . 2 1 1 A 5 5 ALA H H 5 8.373 8.542 -0.169 1
1 22 . 2 1 1 A 5 5 ALA HA H 5 4.400 4.482 -0.082 1
1 26 . 2 1 1 A 6 6 CYS H H 6 8.110 8.097 0.013 1
1 27 . 2 1 1 A 6 6 CYS HA H 6 5.098 5.116 -0.018 1
1 30 . 2 1 1 A 7 7 PRO HA H 7 4.427 4.700 -0.273 1
1 37 . 2 1 1 A 8 8 LYS H H 8 8.660 8.910 -0.250 1
1 38 . 2 1 1 A 8 8 LYS HA H 8 4.229 4.206 0.023 1
1 47 . 2 1 1 A 9 9 ILE H H 9 6.860 7.335 -0.475 1
1 48 . 2 1 1 A 9 9 ILE HA H 9 4.076 3.986 0.090 1
1 58 . 2 1 1 A 10 10 LEU H H 10 8.603 8.802 -0.199 1
1 59 . 2 1 1 A 10 10 LEU HA H 10 4.618 4.594 0.024 1
1 69 . 2 1 1 A 11 11 LYS H H 11 8.814 7.945 0.869 1
1 70 . 2 1 1 A 11 11 LYS HA H 11 4.533 4.938 -0.405 1
1 77 . 2 1 1 A 12 12 PRO HA H 12 4.570 4.863 -0.293 1
1 84 . 2 1 1 A 13 13 VAL H H 13 8.283 8.388 -0.105 1
1 85 . 2 1 1 A 13 13 VAL HA H 13 4.672 4.800 -0.128 1
1 93 . 2 1 1 A 14 14 CYS H H 14 8.695 8.915 -0.220 1
1 94 . 2 1 1 A 14 14 CYS HA H 14 5.205 4.997 0.208 1
1 97 . 2 1 1 A 15 15 GLY H H 15 9.670 8.850 0.820 1
1 98 . 2 1 1 A 15 15 GLY HA2 H 15 4.754 4.268 0.486 1
1 99 . 2 1 1 A 15 15 GLY HA3 H 15 4.109 4.363 -0.254 1
1 100 . 2 1 1 A 16 16 SER H H 16 9.001 9.116 -0.115 1
1 101 . 2 1 1 A 16 16 SER HA H 16 3.982 4.169 -0.187 1
1 104 . 2 1 1 A 17 17 ASP H H 17 8.114 7.843 0.271 1
1 105 . 2 1 1 A 17 17 ASP HA H 17 4.524 4.707 -0.183 1
1 108 . 2 1 1 A 18 18 GLY H H 18 8.360 8.106 0.254 1
1 109 . 2 1 1 A 18 18 GLY HA2 H 18 3.698 3.908 -0.210 1
1 110 . 2 1 1 A 18 18 GLY HA3 H 18 4.025 3.910 0.115 1
1 111 . 2 1 1 A 19 19 ARG H H 19 7.439 7.917 -0.478 1
1 112 . 2 1 1 A 19 19 ARG HA H 19 4.398 4.214 0.184 1
1 119 . 2 1 1 A 20 20 THR H H 20 8.292 8.192 0.100 1
1 120 . 2 1 1 A 20 20 THR HA H 20 4.950 4.916 0.034 1
1 125 . 2 1 1 A 21 21 TYR H H 21 9.153 8.651 0.502 1
1 126 . 2 1 1 A 21 21 TYR HA H 21 4.548 4.959 -0.411 1
1 133 . 2 1 1 A 22 22 ALA H H 22 8.884 8.760 0.124 1
1 134 . 2 1 1 A 22 22 ALA HA H 22 3.858 4.198 -0.340 1
1 138 . 2 1 1 A 23 23 ASN H H 23 7.112 7.894 -0.782 1
1 139 . 2 1 1 A 23 23 ASN HA H 23 4.904 5.325 -0.421 1
1 144 . 2 1 1 A 24 24 SER H H 24 9.338 8.729 0.609 1
1 145 . 2 1 1 A 24 24 SER HA H 24 3.904 4.097 -0.193 1
1 146 . 2 1 1 A 25 25 CYS H H 25 8.018 8.108 -0.090 1
1 147 . 2 1 1 A 25 25 CYS HA H 25 4.224 4.053 0.171 1
1 150 . 2 1 1 A 26 26 ILE H H 26 8.121 7.787 0.334 1
1 151 . 2 1 1 A 26 26 ILE HA H 26 3.555 3.860 -0.305 1
1 158 . 2 1 1 A 27 27 ALA H H 27 7.235 8.139 -0.904 1
1 159 . 2 1 1 A 27 27 ALA HA H 27 2.789 3.209 -0.420 1
1 163 . 2 1 1 A 28 28 ARG H H 28 7.934 8.428 -0.494 1
1 164 . 2 1 1 A 28 28 ARG HA H 28 3.992 3.933 0.059 1
1 172 . 2 1 1 A 29 29 CYS H H 29 8.485 7.655 0.830 1
1 173 . 2 1 1 A 29 29 CYS HA H 29 4.181 4.336 -0.155 1
1 176 . 2 1 1 A 30 30 ASN H H 30 7.464 7.912 -0.448 1
1 177 . 2 1 1 A 30 30 ASN HA H 30 4.667 4.670 -0.003 1
1 182 . 2 1 1 A 31 31 GLY H H 31 7.884 8.282 -0.398 1
1 183 . 2 1 1 A 31 31 GLY HA2 H 31 3.738 3.897 -0.159 1
1 184 . 2 1 1 A 31 31 GLY HA3 H 31 3.929 3.903 0.026 1
1 185 . 2 1 1 A 32 32 VAL H H 32 7.270 7.037 0.233 1
1 186 . 2 1 1 A 32 32 VAL HA H 32 4.228 4.724 -0.496 1
1 194 . 2 1 1 A 33 33 SER H H 33 8.048 8.720 -0.672 1
1 195 . 2 1 1 A 33 33 SER HA H 33 4.410 4.654 -0.244 1
1 198 . 2 1 1 A 34 34 ILE H H 34 8.571 8.573 -0.002 1
1 199 . 2 1 1 A 34 34 ILE HA H 34 3.879 5.036 -1.157 1
1 209 . 2 1 1 A 35 35 LYS H H 35 9.176 9.029 0.147 1
1 210 . 2 1 1 A 35 35 LYS HA H 35 4.251 4.186 0.065 1
1 215 . 2 1 1 A 36 36 SER H H 36 7.744 7.657 0.087 1
1 216 . 2 1 1 A 36 36 SER HA H 36 4.508 4.587 -0.079 1
1 219 . 2 1 1 A 37 37 GLU H H 37 8.612 8.629 -0.017 1
1 220 . 2 1 1 A 37 37 GLU HA H 37 4.314 4.395 -0.081 1
1 225 . 2 1 1 A 38 38 GLY H H 38 8.008 8.599 -0.591 1
1 226 . 2 1 1 A 38 38 GLY HA2 H 38 3.489 4.081 -0.592 1
1 227 . 2 1 1 A 38 38 GLY HA3 H 38 4.234 4.084 0.150 1
1 228 . 2 1 1 A 39 39 SER H H 39 7.780 8.518 -0.738 1
1 229 . 2 1 1 A 39 39 SER HA H 39 4.109 4.383 -0.274 1
1 232 . 2 1 1 A 40 40 CYS H H 40 8.402 8.400 0.002 1
1 233 . 2 1 1 A 40 40 CYS HA H 40 4.627 4.693 -0.066 1
1 236 . 2 1 1 A 41 41 PRO HA H 41 4.408 4.330 0.078 1
1 243 . 2 1 1 A 42 42 THR H H 42 8.192 8.408 -0.216 1
1 244 . 2 1 1 A 42 42 THR HA H 42 4.182 3.926 0.256 1
1 249 . 2 1 1 A 43 43 GLY H H 43 8.302 7.916 0.386 1
1 250 . 2 1 1 A 43 43 GLY HA2 H 43 3.900 3.883 0.017 1
1 251 . 2 1 1 A 43 43 GLY HA3 H 43 3.900 3.895 0.005 1
1 2 . 3 1 1 A 2 2 LYS H H 2 8.629 8.796 -0.167 1
1 3 . 3 1 1 A 2 2 LYS HA H 2 4.345 4.930 -0.585 1
1 8 . 3 1 1 A 3 3 VAL H H 3 8.359 8.959 -0.600 1
1 9 . 3 1 1 A 3 3 VAL HA H 3 4.051 4.452 -0.401 1
1 17 . 3 1 1 A 4 4 CYS H H 4 8.384 8.864 -0.480 1
1 18 . 3 1 1 A 4 4 CYS HA H 4 4.416 4.471 -0.055 1
1 21 . 3 1 1 A 5 5 ALA H H 5 8.373 8.281 0.092 1
1 22 . 3 1 1 A 5 5 ALA HA H 5 4.400 4.463 -0.063 1
1 26 . 3 1 1 A 6 6 CYS H H 6 8.110 8.642 -0.532 1
1 27 . 3 1 1 A 6 6 CYS HA H 6 5.098 5.071 0.027 1
1 30 . 3 1 1 A 7 7 PRO HA H 7 4.427 4.539 -0.112 1
1 37 . 3 1 1 A 8 8 LYS H H 8 8.660 8.813 -0.153 1
1 38 . 3 1 1 A 8 8 LYS HA H 8 4.229 4.146 0.083 1
1 47 . 3 1 1 A 9 9 ILE H H 9 6.860 7.377 -0.517 1
1 48 . 3 1 1 A 9 9 ILE HA H 9 4.076 3.975 0.101 1
1 58 . 3 1 1 A 10 10 LEU H H 10 8.603 8.874 -0.271 1
1 59 . 3 1 1 A 10 10 LEU HA H 10 4.618 4.737 -0.119 1
1 69 . 3 1 1 A 11 11 LYS H H 11 8.814 8.002 0.812 1
1 70 . 3 1 1 A 11 11 LYS HA H 11 4.533 4.877 -0.344 1
1 77 . 3 1 1 A 12 12 PRO HA H 12 4.570 4.806 -0.236 1
1 84 . 3 1 1 A 13 13 VAL H H 13 8.283 8.420 -0.137 1
1 85 . 3 1 1 A 13 13 VAL HA H 13 4.672 4.845 -0.173 1
1 93 . 3 1 1 A 14 14 CYS H H 14 8.695 8.908 -0.213 1
1 94 . 3 1 1 A 14 14 CYS HA H 14 5.205 5.127 0.078 1
1 97 . 3 1 1 A 15 15 GLY H H 15 9.670 8.875 0.795 1
1 98 . 3 1 1 A 15 15 GLY HA2 H 15 4.754 4.251 0.503 1
1 99 . 3 1 1 A 15 15 GLY HA3 H 15 4.109 4.342 -0.233 1
1 100 . 3 1 1 A 16 16 SER H H 16 9.001 9.186 -0.185 1
1 101 . 3 1 1 A 16 16 SER HA H 16 3.982 4.219 -0.237 1
1 104 . 3 1 1 A 17 17 ASP H H 17 8.114 8.078 0.036 1
1 105 . 3 1 1 A 17 17 ASP HA H 17 4.524 4.676 -0.152 1
1 108 . 3 1 1 A 18 18 GLY H H 18 8.360 8.256 0.104 1
1 109 . 3 1 1 A 18 18 GLY HA2 H 18 3.698 3.935 -0.237 1
1 110 . 3 1 1 A 18 18 GLY HA3 H 18 4.025 3.938 0.087 1
1 111 . 3 1 1 A 19 19 ARG H H 19 7.439 7.919 -0.480 1
1 112 . 3 1 1 A 19 19 ARG HA H 19 4.398 4.214 0.184 1
1 119 . 3 1 1 A 20 20 THR H H 20 8.292 8.213 0.079 1
1 120 . 3 1 1 A 20 20 THR HA H 20 4.950 4.931 0.019 1
1 125 . 3 1 1 A 21 21 TYR H H 21 9.153 8.678 0.475 1
1 126 . 3 1 1 A 21 21 TYR HA H 21 4.548 4.931 -0.383 1
1 133 . 3 1 1 A 22 22 ALA H H 22 8.884 8.752 0.132 1
1 134 . 3 1 1 A 22 22 ALA HA H 22 3.858 4.184 -0.326 1
1 138 . 3 1 1 A 23 23 ASN H H 23 7.112 7.849 -0.737 1
1 139 . 3 1 1 A 23 23 ASN HA H 23 4.904 5.350 -0.446 1
1 144 . 3 1 1 A 24 24 SER H H 24 9.338 8.786 0.552 1
1 145 . 3 1 1 A 24 24 SER HA H 24 3.904 4.049 -0.145 1
1 146 . 3 1 1 A 25 25 CYS H H 25 8.018 8.060 -0.042 1
1 147 . 3 1 1 A 25 25 CYS HA H 25 4.224 4.083 0.141 1
1 150 . 3 1 1 A 26 26 ILE H H 26 8.121 8.004 0.117 1
1 151 . 3 1 1 A 26 26 ILE HA H 26 3.555 3.874 -0.319 1
1 158 . 3 1 1 A 27 27 ALA H H 27 7.235 8.175 -0.940 1
1 159 . 3 1 1 A 27 27 ALA HA H 27 2.789 3.325 -0.536 1
1 163 . 3 1 1 A 28 28 ARG H H 28 7.934 8.218 -0.284 1
1 164 . 3 1 1 A 28 28 ARG HA H 28 3.992 4.041 -0.049 1
1 172 . 3 1 1 A 29 29 CYS H H 29 8.485 7.677 0.808 1
1 173 . 3 1 1 A 29 29 CYS HA H 29 4.181 4.512 -0.331 1
1 176 . 3 1 1 A 30 30 ASN H H 30 7.464 8.046 -0.582 1
1 177 . 3 1 1 A 30 30 ASN HA H 30 4.667 4.632 0.035 1
1 182 . 3 1 1 A 31 31 GLY H H 31 7.884 8.345 -0.461 1
1 183 . 3 1 1 A 31 31 GLY HA2 H 31 3.738 3.841 -0.103 1
1 184 . 3 1 1 A 31 31 GLY HA3 H 31 3.929 3.849 0.080 1
1 185 . 3 1 1 A 32 32 VAL H H 32 7.270 7.189 0.081 1
1 186 . 3 1 1 A 32 32 VAL HA H 32 4.228 4.639 -0.411 1
1 194 . 3 1 1 A 33 33 SER H H 33 8.048 8.753 -0.705 1
1 195 . 3 1 1 A 33 33 SER HA H 33 4.410 4.912 -0.502 1
1 198 . 3 1 1 A 34 34 ILE H H 34 8.571 8.508 0.063 1
1 199 . 3 1 1 A 34 34 ILE HA H 34 3.879 4.395 -0.516 1
1 209 . 3 1 1 A 35 35 LYS H H 35 9.176 9.399 -0.223 1
1 210 . 3 1 1 A 35 35 LYS HA H 35 4.251 4.481 -0.230 1
1 215 . 3 1 1 A 36 36 SER H H 36 7.744 7.271 0.473 1
1 216 . 3 1 1 A 36 36 SER HA H 36 4.508 4.655 -0.147 1
1 219 . 3 1 1 A 37 37 GLU H H 37 8.612 8.658 -0.046 1
1 220 . 3 1 1 A 37 37 GLU HA H 37 4.314 4.488 -0.174 1
1 225 . 3 1 1 A 38 38 GLY H H 38 8.008 8.508 -0.500 1
1 226 . 3 1 1 A 38 38 GLY HA2 H 38 3.489 4.070 -0.581 1
1 227 . 3 1 1 A 38 38 GLY HA3 H 38 4.234 4.073 0.161 1
1 228 . 3 1 1 A 39 39 SER H H 39 7.780 8.270 -0.490 1
1 229 . 3 1 1 A 39 39 SER HA H 39 4.109 4.402 -0.293 1
1 232 . 3 1 1 A 40 40 CYS H H 40 8.402 8.442 -0.040 1
1 233 . 3 1 1 A 40 40 CYS HA H 40 4.627 4.810 -0.183 1
1 236 . 3 1 1 A 41 41 PRO HA H 41 4.408 4.670 -0.262 1
1 243 . 3 1 1 A 42 42 THR H H 42 8.192 8.417 -0.225 1
1 244 . 3 1 1 A 42 42 THR HA H 42 4.182 4.567 -0.385 1
1 249 . 3 1 1 A 43 43 GLY H H 43 8.302 7.454 0.848 1
1 250 . 3 1 1 A 43 43 GLY HA2 H 43 3.900 4.073 -0.173 1
1 251 . 3 1 1 A 43 43 GLY HA3 H 43 3.900 4.074 -0.174 1
1 2 . 4 1 1 A 2 2 LYS H H 2 8.629 8.799 -0.170 1
1 3 . 4 1 1 A 2 2 LYS HA H 2 4.345 4.963 -0.618 1
1 8 . 4 1 1 A 3 3 VAL H H 3 8.359 8.806 -0.447 1
1 9 . 4 1 1 A 3 3 VAL HA H 3 4.051 4.864 -0.813 1
1 17 . 4 1 1 A 4 4 CYS H H 4 8.384 8.532 -0.148 1
1 18 . 4 1 1 A 4 4 CYS HA H 4 4.416 4.757 -0.341 1
1 21 . 4 1 1 A 5 5 ALA H H 5 8.373 7.912 0.461 1
1 22 . 4 1 1 A 5 5 ALA HA H 5 4.400 4.407 -0.007 1
1 26 . 4 1 1 A 6 6 CYS H H 6 8.110 8.659 -0.549 1
1 27 . 4 1 1 A 6 6 CYS HA H 6 5.098 5.075 0.023 1
1 30 . 4 1 1 A 7 7 PRO HA H 7 4.427 4.601 -0.174 1
1 37 . 4 1 1 A 8 8 LYS H H 8 8.660 8.827 -0.167 1
1 38 . 4 1 1 A 8 8 LYS HA H 8 4.229 4.104 0.125 1
1 47 . 4 1 1 A 9 9 ILE H H 9 6.860 7.327 -0.467 1
1 48 . 4 1 1 A 9 9 ILE HA H 9 4.076 4.162 -0.086 1
1 58 . 4 1 1 A 10 10 LEU H H 10 8.603 8.538 0.065 1
1 59 . 4 1 1 A 10 10 LEU HA H 10 4.618 4.586 0.032 1
1 69 . 4 1 1 A 11 11 LYS H H 11 8.814 8.059 0.755 1
1 70 . 4 1 1 A 11 11 LYS HA H 11 4.533 4.928 -0.395 1
1 77 . 4 1 1 A 12 12 PRO HA H 12 4.570 4.870 -0.300 1
1 84 . 4 1 1 A 13 13 VAL H H 13 8.283 8.391 -0.108 1
1 85 . 4 1 1 A 13 13 VAL HA H 13 4.672 4.773 -0.101 1
1 93 . 4 1 1 A 14 14 CYS H H 14 8.695 8.994 -0.299 1
1 94 . 4 1 1 A 14 14 CYS HA H 14 5.205 5.155 0.050 1
1 97 . 4 1 1 A 15 15 GLY H H 15 9.670 8.924 0.746 1
1 98 . 4 1 1 A 15 15 GLY HA2 H 15 4.754 4.246 0.508 1
1 99 . 4 1 1 A 15 15 GLY HA3 H 15 4.109 4.343 -0.234 1
1 100 . 4 1 1 A 16 16 SER H H 16 9.001 9.148 -0.147 1
1 101 . 4 1 1 A 16 16 SER HA H 16 3.982 4.134 -0.152 1
1 104 . 4 1 1 A 17 17 ASP H H 17 8.114 8.130 -0.016 1
1 105 . 4 1 1 A 17 17 ASP HA H 17 4.524 4.680 -0.156 1
1 108 . 4 1 1 A 18 18 GLY H H 18 8.360 8.250 0.110 1
1 109 . 4 1 1 A 18 18 GLY HA2 H 18 3.698 3.930 -0.232 1
1 110 . 4 1 1 A 18 18 GLY HA3 H 18 4.025 3.933 0.092 1
1 111 . 4 1 1 A 19 19 ARG H H 19 7.439 7.945 -0.506 1
1 112 . 4 1 1 A 19 19 ARG HA H 19 4.398 4.227 0.171 1
1 119 . 4 1 1 A 20 20 THR H H 20 8.292 8.203 0.089 1
1 120 . 4 1 1 A 20 20 THR HA H 20 4.950 4.923 0.027 1
1 125 . 4 1 1 A 21 21 TYR H H 21 9.153 8.067 1.086 1
1 126 . 4 1 1 A 21 21 TYR HA H 21 4.548 4.934 -0.386 1
1 133 . 4 1 1 A 22 22 ALA H H 22 8.884 8.738 0.146 1
1 134 . 4 1 1 A 22 22 ALA HA H 22 3.858 4.210 -0.352 1
1 138 . 4 1 1 A 23 23 ASN H H 23 7.112 7.829 -0.717 1
1 139 . 4 1 1 A 23 23 ASN HA H 23 4.904 5.307 -0.403 1
1 144 . 4 1 1 A 24 24 SER H H 24 9.338 8.728 0.610 1
1 145 . 4 1 1 A 24 24 SER HA H 24 3.904 4.097 -0.193 1
1 146 . 4 1 1 A 25 25 CYS H H 25 8.018 8.125 -0.107 1
1 147 . 4 1 1 A 25 25 CYS HA H 25 4.224 4.055 0.169 1
1 150 . 4 1 1 A 26 26 ILE H H 26 8.121 7.942 0.179 1
1 151 . 4 1 1 A 26 26 ILE HA H 26 3.555 3.882 -0.327 1
1 158 . 4 1 1 A 27 27 ALA H H 27 7.235 8.178 -0.943 1
1 159 . 4 1 1 A 27 27 ALA HA H 27 2.789 3.254 -0.465 1
1 163 . 4 1 1 A 28 28 ARG H H 28 7.934 8.360 -0.426 1
1 164 . 4 1 1 A 28 28 ARG HA H 28 3.992 3.925 0.067 1
1 172 . 4 1 1 A 29 29 CYS H H 29 8.485 7.570 0.915 1
1 173 . 4 1 1 A 29 29 CYS HA H 29 4.181 4.337 -0.156 1
1 176 . 4 1 1 A 30 30 ASN H H 30 7.464 7.913 -0.449 1
1 177 . 4 1 1 A 30 30 ASN HA H 30 4.667 4.667 0.000 1
1 182 . 4 1 1 A 31 31 GLY H H 31 7.884 8.286 -0.402 1
1 183 . 4 1 1 A 31 31 GLY HA2 H 31 3.738 3.864 -0.126 1
1 184 . 4 1 1 A 31 31 GLY HA3 H 31 3.929 3.871 0.058 1
1 185 . 4 1 1 A 32 32 VAL H H 32 7.270 6.996 0.274 1
1 186 . 4 1 1 A 32 32 VAL HA H 32 4.228 4.763 -0.535 1
1 194 . 4 1 1 A 33 33 SER H H 33 8.048 8.625 -0.577 1
1 195 . 4 1 1 A 33 33 SER HA H 33 4.410 5.015 -0.605 1
1 198 . 4 1 1 A 34 34 ILE H H 34 8.571 8.548 0.023 1
1 199 . 4 1 1 A 34 34 ILE HA H 34 3.879 4.827 -0.948 1
1 209 . 4 1 1 A 35 35 LYS H H 35 9.176 9.251 -0.075 1
1 210 . 4 1 1 A 35 35 LYS HA H 35 4.251 4.370 -0.119 1
1 215 . 4 1 1 A 36 36 SER H H 36 7.744 7.208 0.536 1
1 216 . 4 1 1 A 36 36 SER HA H 36 4.508 4.614 -0.106 1
1 219 . 4 1 1 A 37 37 GLU H H 37 8.612 8.641 -0.029 1
1 220 . 4 1 1 A 37 37 GLU HA H 37 4.314 4.440 -0.126 1
1 225 . 4 1 1 A 38 38 GLY H H 38 8.008 8.499 -0.491 1
1 226 . 4 1 1 A 38 38 GLY HA2 H 38 3.489 4.078 -0.589 1
1 227 . 4 1 1 A 38 38 GLY HA3 H 38 4.234 4.080 0.154 1
1 228 . 4 1 1 A 39 39 SER H H 39 7.780 8.312 -0.532 1
1 229 . 4 1 1 A 39 39 SER HA H 39 4.109 4.415 -0.306 1
1 232 . 4 1 1 A 40 40 CYS H H 40 8.402 8.292 0.110 1
1 233 . 4 1 1 A 40 40 CYS HA H 40 4.627 4.765 -0.138 1
1 236 . 4 1 1 A 41 41 PRO HA H 41 4.408 4.600 -0.192 1
1 243 . 4 1 1 A 42 42 THR H H 42 8.192 8.760 -0.568 1
1 244 . 4 1 1 A 42 42 THR HA H 42 4.182 4.307 -0.125 1
1 249 . 4 1 1 A 43 43 GLY H H 43 8.302 7.361 0.941 1
1 250 . 4 1 1 A 43 43 GLY HA2 H 43 3.900 4.057 -0.157 1
1 251 . 4 1 1 A 43 43 GLY HA3 H 43 3.900 4.057 -0.157 1
1 2 . 5 1 1 A 2 2 LYS H H 2 8.629 7.546 1.083 1
1 3 . 5 1 1 A 2 2 LYS HA H 2 4.345 4.389 -0.044 1
1 8 . 5 1 1 A 3 3 VAL H H 3 8.359 8.362 -0.003 1
1 9 . 5 1 1 A 3 3 VAL HA H 3 4.051 4.176 -0.125 1
1 17 . 5 1 1 A 4 4 CYS H H 4 8.384 8.805 -0.421 1
1 18 . 5 1 1 A 4 4 CYS HA H 4 4.416 4.518 -0.102 1
1 21 . 5 1 1 A 5 5 ALA H H 5 8.373 8.280 0.093 1
1 22 . 5 1 1 A 5 5 ALA HA H 5 4.400 4.476 -0.076 1
1 26 . 5 1 1 A 6 6 CYS H H 6 8.110 8.647 -0.537 1
1 27 . 5 1 1 A 6 6 CYS HA H 6 5.098 5.071 0.027 1
1 30 . 5 1 1 A 7 7 PRO HA H 7 4.427 4.579 -0.152 1
1 37 . 5 1 1 A 8 8 LYS H H 8 8.660 8.756 -0.096 1
1 38 . 5 1 1 A 8 8 LYS HA H 8 4.229 4.122 0.107 1
1 47 . 5 1 1 A 9 9 ILE H H 9 6.860 7.343 -0.483 1
1 48 . 5 1 1 A 9 9 ILE HA H 9 4.076 4.154 -0.078 1
1 58 . 5 1 1 A 10 10 LEU H H 10 8.603 8.534 0.069 1
1 59 . 5 1 1 A 10 10 LEU HA H 10 4.618 4.630 -0.012 1
1 69 . 5 1 1 A 11 11 LYS H H 11 8.814 8.086 0.728 1
1 70 . 5 1 1 A 11 11 LYS HA H 11 4.533 4.878 -0.345 1
1 77 . 5 1 1 A 12 12 PRO HA H 12 4.570 4.787 -0.217 1
1 84 . 5 1 1 A 13 13 VAL H H 13 8.283 8.413 -0.130 1
1 85 . 5 1 1 A 13 13 VAL HA H 13 4.672 4.789 -0.117 1
1 93 . 5 1 1 A 14 14 CYS H H 14 8.695 9.037 -0.342 1
1 94 . 5 1 1 A 14 14 CYS HA H 14 5.205 5.137 0.068 1
1 97 . 5 1 1 A 15 15 GLY H H 15 9.670 8.917 0.753 1
1 98 . 5 1 1 A 15 15 GLY HA2 H 15 4.754 4.245 0.509 1
1 99 . 5 1 1 A 15 15 GLY HA3 H 15 4.109 4.340 -0.231 1
1 100 . 5 1 1 A 16 16 SER H H 16 9.001 8.978 0.023 1
1 101 . 5 1 1 A 16 16 SER HA H 16 3.982 4.164 -0.182 1
1 104 . 5 1 1 A 17 17 ASP H H 17 8.114 8.131 -0.017 1
1 105 . 5 1 1 A 17 17 ASP HA H 17 4.524 4.673 -0.149 1
1 108 . 5 1 1 A 18 18 GLY H H 18 8.360 8.120 0.240 1
1 109 . 5 1 1 A 18 18 GLY HA2 H 18 3.698 3.916 -0.218 1
1 110 . 5 1 1 A 18 18 GLY HA3 H 18 4.025 3.921 0.104 1
1 111 . 5 1 1 A 19 19 ARG H H 19 7.439 7.914 -0.475 1
1 112 . 5 1 1 A 19 19 ARG HA H 19 4.398 4.209 0.189 1
1 119 . 5 1 1 A 20 20 THR H H 20 8.292 8.194 0.098 1
1 120 . 5 1 1 A 20 20 THR HA H 20 4.950 5.004 -0.054 1
1 125 . 5 1 1 A 21 21 TYR H H 21 9.153 8.189 0.964 1
1 126 . 5 1 1 A 21 21 TYR HA H 21 4.548 4.931 -0.383 1
1 133 . 5 1 1 A 22 22 ALA H H 22 8.884 8.723 0.161 1
1 134 . 5 1 1 A 22 22 ALA HA H 22 3.858 4.199 -0.341 1
1 138 . 5 1 1 A 23 23 ASN H H 23 7.112 7.882 -0.770 1
1 139 . 5 1 1 A 23 23 ASN HA H 23 4.904 5.317 -0.413 1
1 144 . 5 1 1 A 24 24 SER H H 24 9.338 8.715 0.623 1
1 145 . 5 1 1 A 24 24 SER HA H 24 3.904 4.066 -0.162 1
1 146 . 5 1 1 A 25 25 CYS H H 25 8.018 8.056 -0.038 1
1 147 . 5 1 1 A 25 25 CYS HA H 25 4.224 4.080 0.144 1
1 150 . 5 1 1 A 26 26 ILE H H 26 8.121 7.792 0.329 1
1 151 . 5 1 1 A 26 26 ILE HA H 26 3.555 3.848 -0.293 1
1 158 . 5 1 1 A 27 27 ALA H H 27 7.235 8.084 -0.849 1
1 159 . 5 1 1 A 27 27 ALA HA H 27 2.789 3.169 -0.380 1
1 163 . 5 1 1 A 28 28 ARG H H 28 7.934 8.296 -0.362 1
1 164 . 5 1 1 A 28 28 ARG HA H 28 3.992 3.922 0.070 1
1 172 . 5 1 1 A 29 29 CYS H H 29 8.485 7.541 0.944 1
1 173 . 5 1 1 A 29 29 CYS HA H 29 4.181 4.372 -0.191 1
1 176 . 5 1 1 A 30 30 ASN H H 30 7.464 7.894 -0.430 1
1 177 . 5 1 1 A 30 30 ASN HA H 30 4.667 4.670 -0.003 1
1 182 . 5 1 1 A 31 31 GLY H H 31 7.884 8.290 -0.406 1
1 183 . 5 1 1 A 31 31 GLY HA2 H 31 3.738 3.872 -0.134 1
1 184 . 5 1 1 A 31 31 GLY HA3 H 31 3.929 3.880 0.049 1
1 185 . 5 1 1 A 32 32 VAL H H 32 7.270 6.996 0.274 1
1 186 . 5 1 1 A 32 32 VAL HA H 32 4.228 4.765 -0.537 1
1 194 . 5 1 1 A 33 33 SER H H 33 8.048 8.743 -0.695 1
1 195 . 5 1 1 A 33 33 SER HA H 33 4.410 4.841 -0.431 1
1 198 . 5 1 1 A 34 34 ILE H H 34 8.571 8.513 0.058 1
1 199 . 5 1 1 A 34 34 ILE HA H 34 3.879 4.998 -1.119 1
1 209 . 5 1 1 A 35 35 LYS H H 35 9.176 9.256 -0.080 1
1 210 . 5 1 1 A 35 35 LYS HA H 35 4.251 4.352 -0.101 1
1 215 . 5 1 1 A 36 36 SER H H 36 7.744 7.431 0.313 1
1 216 . 5 1 1 A 36 36 SER HA H 36 4.508 4.812 -0.304 1
1 219 . 5 1 1 A 37 37 GLU H H 37 8.612 8.613 -0.001 1
1 220 . 5 1 1 A 37 37 GLU HA H 37 4.314 4.384 -0.070 1
1 225 . 5 1 1 A 38 38 GLY H H 38 8.008 8.550 -0.542 1
1 226 . 5 1 1 A 38 38 GLY HA2 H 38 3.489 4.051 -0.562 1
1 227 . 5 1 1 A 38 38 GLY HA3 H 38 4.234 4.054 0.180 1
1 228 . 5 1 1 A 39 39 SER H H 39 7.780 8.264 -0.484 1
1 229 . 5 1 1 A 39 39 SER HA H 39 4.109 4.425 -0.316 1
1 232 . 5 1 1 A 40 40 CYS H H 40 8.402 8.346 0.056 1
1 233 . 5 1 1 A 40 40 CYS HA H 40 4.627 4.893 -0.266 1
1 236 . 5 1 1 A 41 41 PRO HA H 41 4.408 4.650 -0.242 1
1 243 . 5 1 1 A 42 42 THR H H 42 8.192 8.380 -0.188 1
1 244 . 5 1 1 A 42 42 THR HA H 42 4.182 4.229 -0.047 1
1 249 . 5 1 1 A 43 43 GLY H H 43 8.302 7.445 0.857 1
1 250 . 5 1 1 A 43 43 GLY HA2 H 43 3.900 4.070 -0.170 1
1 251 . 5 1 1 A 43 43 GLY HA3 H 43 3.900 4.071 -0.171 1
1 2 . 6 1 1 A 2 2 LYS H H 2 8.629 7.854 0.775 1
1 3 . 6 1 1 A 2 2 LYS HA H 2 4.345 4.322 0.023 1
1 8 . 6 1 1 A 3 3 VAL H H 3 8.359 8.302 0.057 1
1 9 . 6 1 1 A 3 3 VAL HA H 3 4.051 4.015 0.036 1
1 17 . 6 1 1 A 4 4 CYS H H 4 8.384 8.665 -0.281 1
1 18 . 6 1 1 A 4 4 CYS HA H 4 4.416 4.686 -0.270 1
1 21 . 6 1 1 A 5 5 ALA H H 5 8.373 8.367 0.006 1
1 22 . 6 1 1 A 5 5 ALA HA H 5 4.400 4.348 0.052 1
1 26 . 6 1 1 A 6 6 CYS H H 6 8.110 8.742 -0.632 1
1 27 . 6 1 1 A 6 6 CYS HA H 6 5.098 5.076 0.022 1
1 30 . 6 1 1 A 7 7 PRO HA H 7 4.427 4.710 -0.283 1
1 37 . 6 1 1 A 8 8 LYS H H 8 8.660 8.887 -0.227 1
1 38 . 6 1 1 A 8 8 LYS HA H 8 4.229 4.212 0.017 1
1 47 . 6 1 1 A 9 9 ILE H H 9 6.860 7.342 -0.482 1
1 48 . 6 1 1 A 9 9 ILE HA H 9 4.076 3.996 0.080 1
1 58 . 6 1 1 A 10 10 LEU H H 10 8.603 8.836 -0.233 1
1 59 . 6 1 1 A 10 10 LEU HA H 10 4.618 4.570 0.048 1
1 69 . 6 1 1 A 11 11 LYS H H 11 8.814 8.311 0.503 1
1 70 . 6 1 1 A 11 11 LYS HA H 11 4.533 4.971 -0.438 1
1 77 . 6 1 1 A 12 12 PRO HA H 12 4.570 4.925 -0.355 1
1 84 . 6 1 1 A 13 13 VAL H H 13 8.283 8.420 -0.137 1
1 85 . 6 1 1 A 13 13 VAL HA H 13 4.672 4.778 -0.106 1
1 93 . 6 1 1 A 14 14 CYS H H 14 8.695 9.074 -0.379 1
1 94 . 6 1 1 A 14 14 CYS HA H 14 5.205 5.220 -0.015 1
1 97 . 6 1 1 A 15 15 GLY H H 15 9.670 9.029 0.641 1
1 98 . 6 1 1 A 15 15 GLY HA2 H 15 4.754 4.224 0.530 1
1 99 . 6 1 1 A 15 15 GLY HA3 H 15 4.109 4.379 -0.270 1
1 100 . 6 1 1 A 16 16 SER H H 16 9.001 9.210 -0.209 1
1 101 . 6 1 1 A 16 16 SER HA H 16 3.982 4.208 -0.226 1
1 104 . 6 1 1 A 17 17 ASP H H 17 8.114 7.830 0.284 1
1 105 . 6 1 1 A 17 17 ASP HA H 17 4.524 4.723 -0.199 1
1 108 . 6 1 1 A 18 18 GLY H H 18 8.360 7.909 0.451 1
1 109 . 6 1 1 A 18 18 GLY HA2 H 18 3.698 3.952 -0.254 1
1 110 . 6 1 1 A 18 18 GLY HA3 H 18 4.025 3.962 0.063 1
1 111 . 6 1 1 A 19 19 ARG H H 19 7.439 7.960 -0.521 1
1 112 . 6 1 1 A 19 19 ARG HA H 19 4.398 4.253 0.145 1
1 119 . 6 1 1 A 20 20 THR H H 20 8.292 8.181 0.111 1
1 120 . 6 1 1 A 20 20 THR HA H 20 4.950 5.077 -0.127 1
1 125 . 6 1 1 A 21 21 TYR H H 21 9.153 8.383 0.770 1
1 126 . 6 1 1 A 21 21 TYR HA H 21 4.548 4.940 -0.392 1
1 133 . 6 1 1 A 22 22 ALA H H 22 8.884 8.683 0.201 1
1 134 . 6 1 1 A 22 22 ALA HA H 22 3.858 4.199 -0.341 1
1 138 . 6 1 1 A 23 23 ASN H H 23 7.112 7.845 -0.733 1
1 139 . 6 1 1 A 23 23 ASN HA H 23 4.904 5.291 -0.387 1
1 144 . 6 1 1 A 24 24 SER H H 24 9.338 8.755 0.583 1
1 145 . 6 1 1 A 24 24 SER HA H 24 3.904 4.031 -0.127 1
1 146 . 6 1 1 A 25 25 CYS H H 25 8.018 8.105 -0.087 1
1 147 . 6 1 1 A 25 25 CYS HA H 25 4.224 4.053 0.171 1
1 150 . 6 1 1 A 26 26 ILE H H 26 8.121 7.569 0.552 1
1 151 . 6 1 1 A 26 26 ILE HA H 26 3.555 3.868 -0.313 1
1 158 . 6 1 1 A 27 27 ALA H H 27 7.235 8.192 -0.957 1
1 159 . 6 1 1 A 27 27 ALA HA H 27 2.789 3.216 -0.427 1
1 163 . 6 1 1 A 28 28 ARG H H 28 7.934 8.367 -0.433 1
1 164 . 6 1 1 A 28 28 ARG HA H 28 3.992 3.904 0.088 1
1 172 . 6 1 1 A 29 29 CYS H H 29 8.485 7.574 0.911 1
1 173 . 6 1 1 A 29 29 CYS HA H 29 4.181 4.270 -0.089 1
1 176 . 6 1 1 A 30 30 ASN H H 30 7.464 8.046 -0.582 1
1 177 . 6 1 1 A 30 30 ASN HA H 30 4.667 4.690 -0.023 1
1 182 . 6 1 1 A 31 31 GLY H H 31 7.884 8.677 -0.793 1
1 183 . 6 1 1 A 31 31 GLY HA2 H 31 3.738 3.882 -0.144 1
1 184 . 6 1 1 A 31 31 GLY HA3 H 31 3.929 3.893 0.036 1
1 185 . 6 1 1 A 32 32 VAL H H 32 7.270 6.846 0.424 1
1 186 . 6 1 1 A 32 32 VAL HA H 32 4.228 4.741 -0.513 1
1 194 . 6 1 1 A 33 33 SER H H 33 8.048 8.764 -0.716 1
1 195 . 6 1 1 A 33 33 SER HA H 33 4.410 5.007 -0.597 1
1 198 . 6 1 1 A 34 34 ILE H H 34 8.571 8.578 -0.007 1
1 199 . 6 1 1 A 34 34 ILE HA H 34 3.879 4.755 -0.876 1
1 209 . 6 1 1 A 35 35 LYS H H 35 9.176 9.106 0.070 1
1 210 . 6 1 1 A 35 35 LYS HA H 35 4.251 4.398 -0.147 1
1 215 . 6 1 1 A 36 36 SER H H 36 7.744 7.374 0.370 1
1 216 . 6 1 1 A 36 36 SER HA H 36 4.508 4.746 -0.238 1
1 219 . 6 1 1 A 37 37 GLU H H 37 8.612 8.622 -0.010 1
1 220 . 6 1 1 A 37 37 GLU HA H 37 4.314 4.434 -0.120 1
1 225 . 6 1 1 A 38 38 GLY H H 38 8.008 8.460 -0.452 1
1 226 . 6 1 1 A 38 38 GLY HA2 H 38 3.489 4.080 -0.591 1
1 227 . 6 1 1 A 38 38 GLY HA3 H 38 4.234 4.083 0.151 1
1 228 . 6 1 1 A 39 39 SER H H 39 7.780 8.287 -0.507 1
1 229 . 6 1 1 A 39 39 SER HA H 39 4.109 4.438 -0.329 1
1 232 . 6 1 1 A 40 40 CYS H H 40 8.402 8.402 0.000 1
1 233 . 6 1 1 A 40 40 CYS HA H 40 4.627 4.783 -0.156 1
1 236 . 6 1 1 A 41 41 PRO HA H 41 4.408 4.686 -0.278 1
1 243 . 6 1 1 A 42 42 THR H H 42 8.192 8.843 -0.651 1
1 244 . 6 1 1 A 42 42 THR HA H 42 4.182 4.487 -0.305 1
1 249 . 6 1 1 A 43 43 GLY H H 43 8.302 8.059 0.243 1
1 250 . 6 1 1 A 43 43 GLY HA2 H 43 3.900 3.986 -0.086 1
1 251 . 6 1 1 A 43 43 GLY HA3 H 43 3.900 3.987 -0.087 1
1 2 . 7 1 1 A 2 2 LYS H H 2 8.629 8.945 -0.316 1
1 3 . 7 1 1 A 2 2 LYS HA H 2 4.345 5.112 -0.767 1
1 8 . 7 1 1 A 3 3 VAL H H 3 8.359 8.613 -0.254 1
1 9 . 7 1 1 A 3 3 VAL HA H 3 4.051 4.386 -0.335 1
1 17 . 7 1 1 A 4 4 CYS H H 4 8.384 7.635 0.749 1
1 18 . 7 1 1 A 4 4 CYS HA H 4 4.416 4.698 -0.282 1
1 21 . 7 1 1 A 5 5 ALA H H 5 8.373 8.388 -0.015 1
1 22 . 7 1 1 A 5 5 ALA HA H 5 4.400 4.302 0.098 1
1 26 . 7 1 1 A 6 6 CYS H H 6 8.110 8.685 -0.575 1
1 27 . 7 1 1 A 6 6 CYS HA H 6 5.098 5.044 0.054 1
1 30 . 7 1 1 A 7 7 PRO HA H 7 4.427 4.522 -0.095 1
1 37 . 7 1 1 A 8 8 LYS H H 8 8.660 8.787 -0.127 1
1 38 . 7 1 1 A 8 8 LYS HA H 8 4.229 4.145 0.084 1
1 47 . 7 1 1 A 9 9 ILE H H 9 6.860 7.408 -0.548 1
1 48 . 7 1 1 A 9 9 ILE HA H 9 4.076 3.950 0.126 1
1 58 . 7 1 1 A 10 10 LEU H H 10 8.603 8.924 -0.321 1
1 59 . 7 1 1 A 10 10 LEU HA H 10 4.618 4.615 0.003 1
1 69 . 7 1 1 A 11 11 LYS H H 11 8.814 7.999 0.815 1
1 70 . 7 1 1 A 11 11 LYS HA H 11 4.533 4.876 -0.343 1
1 77 . 7 1 1 A 12 12 PRO HA H 12 4.570 4.857 -0.287 1
1 84 . 7 1 1 A 13 13 VAL H H 13 8.283 8.413 -0.130 1
1 85 . 7 1 1 A 13 13 VAL HA H 13 4.672 4.958 -0.286 1
1 93 . 7 1 1 A 14 14 CYS H H 14 8.695 8.970 -0.275 1
1 94 . 7 1 1 A 14 14 CYS HA H 14 5.205 5.395 -0.190 1
1 97 . 7 1 1 A 15 15 GLY H H 15 9.670 8.808 0.862 1
1 98 . 7 1 1 A 15 15 GLY HA2 H 15 4.754 4.165 0.589 1
1 99 . 7 1 1 A 15 15 GLY HA3 H 15 4.109 4.283 -0.174 1
1 100 . 7 1 1 A 16 16 SER H H 16 9.001 9.157 -0.156 1
1 101 . 7 1 1 A 16 16 SER HA H 16 3.982 4.118 -0.136 1
1 104 . 7 1 1 A 17 17 ASP H H 17 8.114 7.913 0.201 1
1 105 . 7 1 1 A 17 17 ASP HA H 17 4.524 4.660 -0.136 1
1 108 . 7 1 1 A 18 18 GLY H H 18 8.360 8.087 0.273 1
1 109 . 7 1 1 A 18 18 GLY HA2 H 18 3.698 3.947 -0.249 1
1 110 . 7 1 1 A 18 18 GLY HA3 H 18 4.025 3.954 0.071 1
1 111 . 7 1 1 A 19 19 ARG H H 19 7.439 7.988 -0.549 1
1 112 . 7 1 1 A 19 19 ARG HA H 19 4.398 4.289 0.109 1
1 119 . 7 1 1 A 20 20 THR H H 20 8.292 8.337 -0.045 1
1 120 . 7 1 1 A 20 20 THR HA H 20 4.950 5.289 -0.339 1
1 125 . 7 1 1 A 21 21 TYR H H 21 9.153 8.522 0.631 1
1 126 . 7 1 1 A 21 21 TYR HA H 21 4.548 4.961 -0.413 1
1 133 . 7 1 1 A 22 22 ALA H H 22 8.884 8.765 0.119 1
1 134 . 7 1 1 A 22 22 ALA HA H 22 3.858 4.182 -0.324 1
1 138 . 7 1 1 A 23 23 ASN H H 23 7.112 7.812 -0.700 1
1 139 . 7 1 1 A 23 23 ASN HA H 23 4.904 5.342 -0.438 1
1 144 . 7 1 1 A 24 24 SER H H 24 9.338 8.724 0.614 1
1 145 . 7 1 1 A 24 24 SER HA H 24 3.904 4.101 -0.197 1
1 146 . 7 1 1 A 25 25 CYS H H 25 8.018 8.043 -0.025 1
1 147 . 7 1 1 A 25 25 CYS HA H 25 4.224 4.217 0.007 1
1 150 . 7 1 1 A 26 26 ILE H H 26 8.121 7.940 0.181 1
1 151 . 7 1 1 A 26 26 ILE HA H 26 3.555 3.865 -0.310 1
1 158 . 7 1 1 A 27 27 ALA H H 27 7.235 8.189 -0.954 1
1 159 . 7 1 1 A 27 27 ALA HA H 27 2.789 3.186 -0.397 1
1 163 . 7 1 1 A 28 28 ARG H H 28 7.934 8.069 -0.135 1
1 164 . 7 1 1 A 28 28 ARG HA H 28 3.992 4.067 -0.075 1
1 172 . 7 1 1 A 29 29 CYS H H 29 8.485 7.924 0.561 1
1 173 . 7 1 1 A 29 29 CYS HA H 29 4.181 4.377 -0.196 1
1 176 . 7 1 1 A 30 30 ASN H H 30 7.464 7.932 -0.468 1
1 177 . 7 1 1 A 30 30 ASN HA H 30 4.667 4.659 0.008 1
1 182 . 7 1 1 A 31 31 GLY H H 31 7.884 8.034 -0.150 1
1 183 . 7 1 1 A 31 31 GLY HA2 H 31 3.738 3.920 -0.182 1
1 184 . 7 1 1 A 31 31 GLY HA3 H 31 3.929 3.927 0.002 1
1 185 . 7 1 1 A 32 32 VAL H H 32 7.270 7.152 0.118 1
1 186 . 7 1 1 A 32 32 VAL HA H 32 4.228 4.546 -0.318 1
1 194 . 7 1 1 A 33 33 SER H H 33 8.048 8.771 -0.723 1
1 195 . 7 1 1 A 33 33 SER HA H 33 4.410 4.503 -0.093 1
1 198 . 7 1 1 A 34 34 ILE H H 34 8.571 8.763 -0.192 1
1 199 . 7 1 1 A 34 34 ILE HA H 34 3.879 4.117 -0.238 1
1 209 . 7 1 1 A 35 35 LYS H H 35 9.176 8.753 0.423 1
1 210 . 7 1 1 A 35 35 LYS HA H 35 4.251 4.414 -0.163 1
1 215 . 7 1 1 A 36 36 SER H H 36 7.744 7.202 0.542 1
1 216 . 7 1 1 A 36 36 SER HA H 36 4.508 4.667 -0.159 1
1 219 . 7 1 1 A 37 37 GLU H H 37 8.612 8.705 -0.093 1
1 220 . 7 1 1 A 37 37 GLU HA H 37 4.314 4.734 -0.420 1
1 225 . 7 1 1 A 38 38 GLY H H 38 8.008 8.492 -0.484 1
1 226 . 7 1 1 A 38 38 GLY HA2 H 38 3.489 4.076 -0.587 1
1 227 . 7 1 1 A 38 38 GLY HA3 H 38 4.234 4.078 0.156 1
1 228 . 7 1 1 A 39 39 SER H H 39 7.780 8.531 -0.751 1
1 229 . 7 1 1 A 39 39 SER HA H 39 4.109 4.502 -0.393 1
1 232 . 7 1 1 A 40 40 CYS H H 40 8.402 8.667 -0.265 1
1 233 . 7 1 1 A 40 40 CYS HA H 40 4.627 4.649 -0.022 1
1 236 . 7 1 1 A 41 41 PRO HA H 41 4.408 4.749 -0.341 1
1 243 . 7 1 1 A 42 42 THR H H 42 8.192 8.579 -0.387 1
1 244 . 7 1 1 A 42 42 THR HA H 42 4.182 4.277 -0.095 1
1 249 . 7 1 1 A 43 43 GLY H H 43 8.302 8.384 -0.082 1
1 250 . 7 1 1 A 43 43 GLY HA2 H 43 3.900 4.070 -0.170 1
1 251 . 7 1 1 A 43 43 GLY HA3 H 43 3.900 4.071 -0.171 1
1 2 . 8 1 1 A 2 2 LYS H H 2 8.629 8.076 0.553 1
1 3 . 8 1 1 A 2 2 LYS HA H 2 4.345 4.903 -0.558 1
1 8 . 8 1 1 A 3 3 VAL H H 3 8.359 8.199 0.160 1
1 9 . 8 1 1 A 3 3 VAL HA H 3 4.051 4.395 -0.344 1
1 17 . 8 1 1 A 4 4 CYS H H 4 8.384 7.729 0.655 1
1 18 . 8 1 1 A 4 4 CYS HA H 4 4.416 5.078 -0.662 1
1 21 . 8 1 1 A 5 5 ALA H H 5 8.373 8.546 -0.173 1
1 22 . 8 1 1 A 5 5 ALA HA H 5 4.400 4.446 -0.046 1
1 26 . 8 1 1 A 6 6 CYS H H 6 8.110 8.601 -0.491 1
1 27 . 8 1 1 A 6 6 CYS HA H 6 5.098 5.046 0.052 1
1 30 . 8 1 1 A 7 7 PRO HA H 7 4.427 4.604 -0.177 1
1 37 . 8 1 1 A 8 8 LYS H H 8 8.660 8.761 -0.101 1
1 38 . 8 1 1 A 8 8 LYS HA H 8 4.229 4.255 -0.026 1
1 47 . 8 1 1 A 9 9 ILE H H 9 6.860 7.424 -0.564 1
1 48 . 8 1 1 A 9 9 ILE HA H 9 4.076 3.970 0.106 1
1 58 . 8 1 1 A 10 10 LEU H H 10 8.603 8.579 0.024 1
1 59 . 8 1 1 A 10 10 LEU HA H 10 4.618 4.457 0.161 1
1 69 . 8 1 1 A 11 11 LYS H H 11 8.814 8.076 0.738 1
1 70 . 8 1 1 A 11 11 LYS HA H 11 4.533 4.868 -0.335 1
1 77 . 8 1 1 A 12 12 PRO HA H 12 4.570 4.787 -0.217 1
1 84 . 8 1 1 A 13 13 VAL H H 13 8.283 8.394 -0.111 1
1 85 . 8 1 1 A 13 13 VAL HA H 13 4.672 4.792 -0.120 1
1 93 . 8 1 1 A 14 14 CYS H H 14 8.695 8.881 -0.186 1
1 94 . 8 1 1 A 14 14 CYS HA H 14 5.205 5.005 0.200 1
1 97 . 8 1 1 A 15 15 GLY H H 15 9.670 8.897 0.773 1
1 98 . 8 1 1 A 15 15 GLY HA2 H 15 4.754 4.290 0.464 1
1 99 . 8 1 1 A 15 15 GLY HA3 H 15 4.109 4.296 -0.187 1
1 100 . 8 1 1 A 16 16 SER H H 16 9.001 8.978 0.023 1
1 101 . 8 1 1 A 16 16 SER HA H 16 3.982 4.207 -0.225 1
1 104 . 8 1 1 A 17 17 ASP H H 17 8.114 7.971 0.143 1
1 105 . 8 1 1 A 17 17 ASP HA H 17 4.524 4.811 -0.287 1
1 108 . 8 1 1 A 18 18 GLY H H 18 8.360 8.191 0.169 1
1 109 . 8 1 1 A 18 18 GLY HA2 H 18 3.698 3.879 -0.181 1
1 110 . 8 1 1 A 18 18 GLY HA3 H 18 4.025 3.881 0.144 1
1 111 . 8 1 1 A 19 19 ARG H H 19 7.439 7.889 -0.450 1
1 112 . 8 1 1 A 19 19 ARG HA H 19 4.398 4.202 0.196 1
1 119 . 8 1 1 A 20 20 THR H H 20 8.292 8.247 0.045 1
1 120 . 8 1 1 A 20 20 THR HA H 20 4.950 4.997 -0.047 1
1 125 . 8 1 1 A 21 21 TYR H H 21 9.153 8.774 0.379 1
1 126 . 8 1 1 A 21 21 TYR HA H 21 4.548 4.911 -0.363 1
1 133 . 8 1 1 A 22 22 ALA H H 22 8.884 8.677 0.207 1
1 134 . 8 1 1 A 22 22 ALA HA H 22 3.858 4.195 -0.337 1
1 138 . 8 1 1 A 23 23 ASN H H 23 7.112 7.910 -0.798 1
1 139 . 8 1 1 A 23 23 ASN HA H 23 4.904 5.272 -0.368 1
1 144 . 8 1 1 A 24 24 SER H H 24 9.338 8.763 0.575 1
1 145 . 8 1 1 A 24 24 SER HA H 24 3.904 4.460 -0.556 1
1 146 . 8 1 1 A 25 25 CYS H H 25 8.018 7.849 0.169 1
1 147 . 8 1 1 A 25 25 CYS HA H 25 4.224 4.744 -0.520 1
1 150 . 8 1 1 A 26 26 ILE H H 26 8.121 8.405 -0.284 1
1 151 . 8 1 1 A 26 26 ILE HA H 26 3.555 3.847 -0.292 1
1 158 . 8 1 1 A 27 27 ALA H H 27 7.235 7.894 -0.659 1
1 159 . 8 1 1 A 27 27 ALA HA H 27 2.789 3.262 -0.473 1
1 163 . 8 1 1 A 28 28 ARG H H 28 7.934 8.125 -0.191 1
1 164 . 8 1 1 A 28 28 ARG HA H 28 3.992 3.871 0.121 1
1 172 . 8 1 1 A 29 29 CYS H H 29 8.485 7.484 1.001 1
1 173 . 8 1 1 A 29 29 CYS HA H 29 4.181 4.341 -0.160 1
1 176 . 8 1 1 A 30 30 ASN H H 30 7.464 8.045 -0.581 1
1 177 . 8 1 1 A 30 30 ASN HA H 30 4.667 4.681 -0.014 1
1 182 . 8 1 1 A 31 31 GLY H H 31 7.884 8.251 -0.367 1
1 183 . 8 1 1 A 31 31 GLY HA2 H 31 3.738 3.887 -0.149 1
1 184 . 8 1 1 A 31 31 GLY HA3 H 31 3.929 3.896 0.033 1
1 185 . 8 1 1 A 32 32 VAL H H 32 7.270 7.107 0.163 1
1 186 . 8 1 1 A 32 32 VAL HA H 32 4.228 4.771 -0.543 1
1 194 . 8 1 1 A 33 33 SER H H 33 8.048 9.034 -0.986 1
1 195 . 8 1 1 A 33 33 SER HA H 33 4.410 4.713 -0.303 1
1 198 . 8 1 1 A 34 34 ILE H H 34 8.571 8.466 0.105 1
1 199 . 8 1 1 A 34 34 ILE HA H 34 3.879 4.860 -0.981 1
1 209 . 8 1 1 A 35 35 LYS H H 35 9.176 9.323 -0.147 1
1 210 . 8 1 1 A 35 35 LYS HA H 35 4.251 4.401 -0.150 1
1 215 . 8 1 1 A 36 36 SER H H 36 7.744 7.289 0.455 1
1 216 . 8 1 1 A 36 36 SER HA H 36 4.508 4.622 -0.114 1
1 219 . 8 1 1 A 37 37 GLU H H 37 8.612 8.614 -0.002 1
1 220 . 8 1 1 A 37 37 GLU HA H 37 4.314 4.366 -0.052 1
1 225 . 8 1 1 A 38 38 GLY H H 38 8.008 8.403 -0.395 1
1 226 . 8 1 1 A 38 38 GLY HA2 H 38 3.489 4.079 -0.590 1
1 227 . 8 1 1 A 38 38 GLY HA3 H 38 4.234 4.082 0.152 1
1 228 . 8 1 1 A 39 39 SER H H 39 7.780 8.534 -0.754 1
1 229 . 8 1 1 A 39 39 SER HA H 39 4.109 4.295 -0.186 1
1 232 . 8 1 1 A 40 40 CYS H H 40 8.402 8.386 0.016 1
1 233 . 8 1 1 A 40 40 CYS HA H 40 4.627 4.727 -0.100 1
1 236 . 8 1 1 A 41 41 PRO HA H 41 4.408 4.603 -0.195 1
1 243 . 8 1 1 A 42 42 THR H H 42 8.192 8.349 -0.157 1
1 244 . 8 1 1 A 42 42 THR HA H 42 4.182 4.208 -0.026 1
1 249 . 8 1 1 A 43 43 GLY H H 43 8.302 7.770 0.532 1
1 250 . 8 1 1 A 43 43 GLY HA2 H 43 3.900 4.028 -0.128 1
1 251 . 8 1 1 A 43 43 GLY HA3 H 43 3.900 4.028 -0.128 1
1 2 . 9 1 1 A 2 2 LYS H H 2 8.629 8.806 -0.177 1
1 3 . 9 1 1 A 2 2 LYS HA H 2 4.345 3.706 0.639 1
1 8 . 9 1 1 A 3 3 VAL H H 3 8.359 7.949 0.410 1
1 9 . 9 1 1 A 3 3 VAL HA H 3 4.051 3.862 0.189 1
1 17 . 9 1 1 A 4 4 CYS H H 4 8.384 8.593 -0.209 1
1 18 . 9 1 1 A 4 4 CYS HA H 4 4.416 4.706 -0.290 1
1 21 . 9 1 1 A 5 5 ALA H H 5 8.373 8.314 0.059 1
1 22 . 9 1 1 A 5 5 ALA HA H 5 4.400 4.467 -0.067 1
1 26 . 9 1 1 A 6 6 CYS H H 6 8.110 8.222 -0.112 1
1 27 . 9 1 1 A 6 6 CYS HA H 6 5.098 5.121 -0.023 1
1 30 . 9 1 1 A 7 7 PRO HA H 7 4.427 4.736 -0.309 1
1 37 . 9 1 1 A 8 8 LYS H H 8 8.660 8.725 -0.065 1
1 38 . 9 1 1 A 8 8 LYS HA H 8 4.229 4.295 -0.066 1
1 47 . 9 1 1 A 9 9 ILE H H 9 6.860 7.350 -0.490 1
1 48 . 9 1 1 A 9 9 ILE HA H 9 4.076 3.996 0.080 1
1 58 . 9 1 1 A 10 10 LEU H H 10 8.603 8.740 -0.137 1
1 59 . 9 1 1 A 10 10 LEU HA H 10 4.618 4.529 0.089 1
1 69 . 9 1 1 A 11 11 LYS H H 11 8.814 8.183 0.631 1
1 70 . 9 1 1 A 11 11 LYS HA H 11 4.533 4.948 -0.415 1
1 77 . 9 1 1 A 12 12 PRO HA H 12 4.570 4.857 -0.287 1
1 84 . 9 1 1 A 13 13 VAL H H 13 8.283 8.330 -0.047 1
1 85 . 9 1 1 A 13 13 VAL HA H 13 4.672 4.737 -0.065 1
1 93 . 9 1 1 A 14 14 CYS H H 14 8.695 8.829 -0.134 1
1 94 . 9 1 1 A 14 14 CYS HA H 14 5.205 4.970 0.235 1
1 97 . 9 1 1 A 15 15 GLY H H 15 9.670 9.028 0.642 1
1 98 . 9 1 1 A 15 15 GLY HA2 H 15 4.754 4.263 0.491 1
1 99 . 9 1 1 A 15 15 GLY HA3 H 15 4.109 4.363 -0.254 1
1 100 . 9 1 1 A 16 16 SER H H 16 9.001 9.088 -0.087 1
1 101 . 9 1 1 A 16 16 SER HA H 16 3.982 4.168 -0.186 1
1 104 . 9 1 1 A 17 17 ASP H H 17 8.114 8.083 0.031 1
1 105 . 9 1 1 A 17 17 ASP HA H 17 4.524 4.666 -0.142 1
1 108 . 9 1 1 A 18 18 GLY H H 18 8.360 7.821 0.539 1
1 109 . 9 1 1 A 18 18 GLY HA2 H 18 3.698 3.946 -0.248 1
1 110 . 9 1 1 A 18 18 GLY HA3 H 18 4.025 3.947 0.078 1
1 111 . 9 1 1 A 19 19 ARG H H 19 7.439 7.919 -0.480 1
1 112 . 9 1 1 A 19 19 ARG HA H 19 4.398 4.250 0.148 1
1 119 . 9 1 1 A 20 20 THR H H 20 8.292 8.329 -0.037 1
1 120 . 9 1 1 A 20 20 THR HA H 20 4.950 4.924 0.026 1
1 125 . 9 1 1 A 21 21 TYR H H 21 9.153 7.948 1.205 1
1 126 . 9 1 1 A 21 21 TYR HA H 21 4.548 4.948 -0.400 1
1 133 . 9 1 1 A 22 22 ALA H H 22 8.884 8.721 0.163 1
1 134 . 9 1 1 A 22 22 ALA HA H 22 3.858 4.196 -0.338 1
1 138 . 9 1 1 A 23 23 ASN H H 23 7.112 7.905 -0.793 1
1 139 . 9 1 1 A 23 23 ASN HA H 23 4.904 5.334 -0.430 1
1 144 . 9 1 1 A 24 24 SER H H 24 9.338 8.861 0.477 1
1 145 . 9 1 1 A 24 24 SER HA H 24 3.904 4.041 -0.137 1
1 146 . 9 1 1 A 25 25 CYS H H 25 8.018 8.155 -0.137 1
1 147 . 9 1 1 A 25 25 CYS HA H 25 4.224 4.054 0.170 1
1 150 . 9 1 1 A 26 26 ILE H H 26 8.121 7.725 0.396 1
1 151 . 9 1 1 A 26 26 ILE HA H 26 3.555 3.884 -0.329 1
1 158 . 9 1 1 A 27 27 ALA H H 27 7.235 8.226 -0.991 1
1 159 . 9 1 1 A 27 27 ALA HA H 27 2.789 3.424 -0.635 1
1 163 . 9 1 1 A 28 28 ARG H H 28 7.934 8.456 -0.522 1
1 164 . 9 1 1 A 28 28 ARG HA H 28 3.992 3.923 0.069 1
1 172 . 9 1 1 A 29 29 CYS H H 29 8.485 7.607 0.878 1
1 173 . 9 1 1 A 29 29 CYS HA H 29 4.181 4.370 -0.189 1
1 176 . 9 1 1 A 30 30 ASN H H 30 7.464 7.940 -0.476 1
1 177 . 9 1 1 A 30 30 ASN HA H 30 4.667 4.651 0.016 1
1 182 . 9 1 1 A 31 31 GLY H H 31 7.884 8.054 -0.170 1
1 183 . 9 1 1 A 31 31 GLY HA2 H 31 3.738 3.860 -0.122 1
1 184 . 9 1 1 A 31 31 GLY HA3 H 31 3.929 3.863 0.066 1
1 185 . 9 1 1 A 32 32 VAL H H 32 7.270 6.952 0.318 1
1 186 . 9 1 1 A 32 32 VAL HA H 32 4.228 4.697 -0.469 1
1 194 . 9 1 1 A 33 33 SER H H 33 8.048 8.809 -0.761 1
1 195 . 9 1 1 A 33 33 SER HA H 33 4.410 4.715 -0.305 1
1 198 . 9 1 1 A 34 34 ILE H H 34 8.571 8.512 0.059 1
1 199 . 9 1 1 A 34 34 ILE HA H 34 3.879 5.001 -1.122 1
1 209 . 9 1 1 A 35 35 LYS H H 35 9.176 9.373 -0.197 1
1 210 . 9 1 1 A 35 35 LYS HA H 35 4.251 4.343 -0.092 1
1 215 . 9 1 1 A 36 36 SER H H 36 7.744 7.147 0.597 1
1 216 . 9 1 1 A 36 36 SER HA H 36 4.508 4.610 -0.102 1
1 219 . 9 1 1 A 37 37 GLU H H 37 8.612 8.636 -0.024 1
1 220 . 9 1 1 A 37 37 GLU HA H 37 4.314 4.464 -0.150 1
1 225 . 9 1 1 A 38 38 GLY H H 38 8.008 8.568 -0.560 1
1 226 . 9 1 1 A 38 38 GLY HA2 H 38 3.489 4.043 -0.554 1
1 227 . 9 1 1 A 38 38 GLY HA3 H 38 4.234 4.045 0.189 1
1 228 . 9 1 1 A 39 39 SER H H 39 7.780 8.508 -0.728 1
1 229 . 9 1 1 A 39 39 SER HA H 39 4.109 4.542 -0.433 1
1 232 . 9 1 1 A 40 40 CYS H H 40 8.402 8.596 -0.194 1
1 233 . 9 1 1 A 40 40 CYS HA H 40 4.627 4.706 -0.079 1
1 236 . 9 1 1 A 41 41 PRO HA H 41 4.408 4.657 -0.249 1
1 243 . 9 1 1 A 42 42 THR H H 42 8.192 8.493 -0.301 1
1 244 . 9 1 1 A 42 42 THR HA H 42 4.182 4.260 -0.078 1
1 249 . 9 1 1 A 43 43 GLY H H 43 8.302 7.395 0.907 1
1 250 . 9 1 1 A 43 43 GLY HA2 H 43 3.900 4.109 -0.209 1
1 251 . 9 1 1 A 43 43 GLY HA3 H 43 3.900 4.110 -0.210 1
1 2 . 10 1 1 A 2 2 LYS H H 2 8.629 8.534 0.095 1
1 3 . 10 1 1 A 2 2 LYS HA H 2 4.345 4.836 -0.491 1
1 8 . 10 1 1 A 3 3 VAL H H 3 8.359 8.499 -0.140 1
1 9 . 10 1 1 A 3 3 VAL HA H 3 4.051 4.344 -0.293 1
1 17 . 10 1 1 A 4 4 CYS H H 4 8.384 7.739 0.645 1
1 18 . 10 1 1 A 4 4 CYS HA H 4 4.416 4.869 -0.453 1
1 21 . 10 1 1 A 5 5 ALA H H 5 8.373 8.576 -0.203 1
1 22 . 10 1 1 A 5 5 ALA HA H 5 4.400 4.510 -0.110 1
1 26 . 10 1 1 A 6 6 CYS H H 6 8.110 8.631 -0.521 1
1 27 . 10 1 1 A 6 6 CYS HA H 6 5.098 5.072 0.026 1
1 30 . 10 1 1 A 7 7 PRO HA H 7 4.427 4.522 -0.095 1
1 37 . 10 1 1 A 8 8 LYS H H 8 8.660 8.763 -0.103 1
1 38 . 10 1 1 A 8 8 LYS HA H 8 4.229 4.262 -0.033 1
1 47 . 10 1 1 A 9 9 ILE H H 9 6.860 7.379 -0.519 1
1 48 . 10 1 1 A 9 9 ILE HA H 9 4.076 3.961 0.115 1
1 58 . 10 1 1 A 10 10 LEU H H 10 8.603 9.098 -0.495 1
1 59 . 10 1 1 A 10 10 LEU HA H 10 4.618 4.617 0.001 1
1 69 . 10 1 1 A 11 11 LYS H H 11 8.814 7.697 1.117 1
1 70 . 10 1 1 A 11 11 LYS HA H 11 4.533 4.894 -0.361 1
1 77 . 10 1 1 A 12 12 PRO HA H 12 4.570 4.893 -0.323 1
1 84 . 10 1 1 A 13 13 VAL H H 13 8.283 7.864 0.419 1
1 85 . 10 1 1 A 13 13 VAL HA H 13 4.672 4.775 -0.103 1
1 93 . 10 1 1 A 14 14 CYS H H 14 8.695 8.936 -0.241 1
1 94 . 10 1 1 A 14 14 CYS HA H 14 5.205 5.101 0.104 1
1 97 . 10 1 1 A 15 15 GLY H H 15 9.670 8.885 0.785 1
1 98 . 10 1 1 A 15 15 GLY HA2 H 15 4.754 4.253 0.501 1
1 99 . 10 1 1 A 15 15 GLY HA3 H 15 4.109 4.334 -0.225 1
1 100 . 10 1 1 A 16 16 SER H H 16 9.001 9.064 -0.063 1
1 101 . 10 1 1 A 16 16 SER HA H 16 3.982 4.184 -0.202 1
1 104 . 10 1 1 A 17 17 ASP H H 17 8.114 8.135 -0.021 1
1 105 . 10 1 1 A 17 17 ASP HA H 17 4.524 4.690 -0.166 1
1 108 . 10 1 1 A 18 18 GLY H H 18 8.360 8.202 0.158 1
1 109 . 10 1 1 A 18 18 GLY HA2 H 18 3.698 3.901 -0.203 1
1 110 . 10 1 1 A 18 18 GLY HA3 H 18 4.025 3.903 0.122 1
1 111 . 10 1 1 A 19 19 ARG H H 19 7.439 7.926 -0.487 1
1 112 . 10 1 1 A 19 19 ARG HA H 19 4.398 4.227 0.171 1
1 119 . 10 1 1 A 20 20 THR H H 20 8.292 8.204 0.088 1
1 120 . 10 1 1 A 20 20 THR HA H 20 4.950 4.900 0.050 1
1 125 . 10 1 1 A 21 21 TYR H H 21 9.153 8.017 1.136 1
1 126 . 10 1 1 A 21 21 TYR HA H 21 4.548 4.934 -0.386 1
1 133 . 10 1 1 A 22 22 ALA H H 22 8.884 8.719 0.165 1
1 134 . 10 1 1 A 22 22 ALA HA H 22 3.858 4.197 -0.339 1
1 138 . 10 1 1 A 23 23 ASN H H 23 7.112 7.890 -0.778 1
1 139 . 10 1 1 A 23 23 ASN HA H 23 4.904 5.316 -0.412 1
1 144 . 10 1 1 A 24 24 SER H H 24 9.338 8.732 0.606 1
1 145 . 10 1 1 A 24 24 SER HA H 24 3.904 4.093 -0.189 1
1 146 . 10 1 1 A 25 25 CYS H H 25 8.018 8.068 -0.050 1
1 147 . 10 1 1 A 25 25 CYS HA H 25 4.224 4.087 0.137 1
1 150 . 10 1 1 A 26 26 ILE H H 26 8.121 7.779 0.342 1
1 151 . 10 1 1 A 26 26 ILE HA H 26 3.555 3.877 -0.322 1
1 158 . 10 1 1 A 27 27 ALA H H 27 7.235 8.167 -0.932 1
1 159 . 10 1 1 A 27 27 ALA HA H 27 2.789 3.344 -0.555 1
1 163 . 10 1 1 A 28 28 ARG H H 28 7.934 8.409 -0.475 1
1 164 . 10 1 1 A 28 28 ARG HA H 28 3.992 3.925 0.067 1
1 172 . 10 1 1 A 29 29 CYS H H 29 8.485 7.612 0.873 1
1 173 . 10 1 1 A 29 29 CYS HA H 29 4.181 4.336 -0.155 1
1 176 . 10 1 1 A 30 30 ASN H H 30 7.464 7.988 -0.524 1
1 177 . 10 1 1 A 30 30 ASN HA H 30 4.667 4.661 0.006 1
1 182 . 10 1 1 A 31 31 GLY H H 31 7.884 8.097 -0.213 1
1 183 . 10 1 1 A 31 31 GLY HA2 H 31 3.738 3.883 -0.145 1
1 184 . 10 1 1 A 31 31 GLY HA3 H 31 3.929 3.887 0.042 1
1 185 . 10 1 1 A 32 32 VAL H H 32 7.270 7.024 0.246 1
1 186 . 10 1 1 A 32 32 VAL HA H 32 4.228 4.703 -0.475 1
1 194 . 10 1 1 A 33 33 SER H H 33 8.048 8.783 -0.735 1
1 195 . 10 1 1 A 33 33 SER HA H 33 4.410 4.758 -0.348 1
1 198 . 10 1 1 A 34 34 ILE H H 34 8.571 8.524 0.047 1
1 199 . 10 1 1 A 34 34 ILE HA H 34 3.879 4.845 -0.966 1
1 209 . 10 1 1 A 35 35 LYS H H 35 9.176 9.340 -0.164 1
1 210 . 10 1 1 A 35 35 LYS HA H 35 4.251 4.372 -0.121 1
1 215 . 10 1 1 A 36 36 SER H H 36 7.744 7.248 0.496 1
1 216 . 10 1 1 A 36 36 SER HA H 36 4.508 4.703 -0.195 1
1 219 . 10 1 1 A 37 37 GLU H H 37 8.612 8.632 -0.020 1
1 220 . 10 1 1 A 37 37 GLU HA H 37 4.314 4.464 -0.150 1
1 225 . 10 1 1 A 38 38 GLY H H 38 8.008 8.517 -0.509 1
1 226 . 10 1 1 A 38 38 GLY HA2 H 38 3.489 4.062 -0.573 1
1 227 . 10 1 1 A 38 38 GLY HA3 H 38 4.234 4.065 0.169 1
1 228 . 10 1 1 A 39 39 SER H H 39 7.780 8.300 -0.520 1
1 229 . 10 1 1 A 39 39 SER HA H 39 4.109 4.433 -0.324 1
1 232 . 10 1 1 A 40 40 CYS H H 40 8.402 8.448 -0.046 1
1 233 . 10 1 1 A 40 40 CYS HA H 40 4.627 4.846 -0.219 1
1 236 . 10 1 1 A 41 41 PRO HA H 41 4.408 4.781 -0.373 1
1 243 . 10 1 1 A 42 42 THR H H 42 8.192 8.877 -0.685 1
1 244 . 10 1 1 A 42 42 THR HA H 42 4.182 4.595 -0.413 1
1 249 . 10 1 1 A 43 43 GLY H H 43 8.302 7.326 0.976 1
1 250 . 10 1 1 A 43 43 GLY HA2 H 43 3.900 4.113 -0.213 1
1 251 . 10 1 1 A 43 43 GLY HA3 H 43 3.900 4.114 -0.214 1
1 2 . 11 1 1 A 2 2 LYS H H 2 8.629 8.665 -0.036 1
1 3 . 11 1 1 A 2 2 LYS HA H 2 4.345 5.152 -0.807 1
1 8 . 11 1 1 A 3 3 VAL H H 3 8.359 8.913 -0.554 1
1 9 . 11 1 1 A 3 3 VAL HA H 3 4.051 4.544 -0.493 1
1 17 . 11 1 1 A 4 4 CYS H H 4 8.384 8.575 -0.191 1
1 18 . 11 1 1 A 4 4 CYS HA H 4 4.416 4.725 -0.309 1
1 21 . 11 1 1 A 5 5 ALA H H 5 8.373 8.286 0.087 1
1 22 . 11 1 1 A 5 5 ALA HA H 5 4.400 4.471 -0.071 1
1 26 . 11 1 1 A 6 6 CYS H H 6 8.110 8.719 -0.609 1
1 27 . 11 1 1 A 6 6 CYS HA H 6 5.098 5.044 0.054 1
1 30 . 11 1 1 A 7 7 PRO HA H 7 4.427 4.616 -0.189 1
1 37 . 11 1 1 A 8 8 LYS H H 8 8.660 8.766 -0.106 1
1 38 . 11 1 1 A 8 8 LYS HA H 8 4.229 4.155 0.074 1
1 47 . 11 1 1 A 9 9 ILE H H 9 6.860 7.324 -0.464 1
1 48 . 11 1 1 A 9 9 ILE HA H 9 4.076 4.160 -0.084 1
1 58 . 11 1 1 A 10 10 LEU H H 10 8.603 8.539 0.064 1
1 59 . 11 1 1 A 10 10 LEU HA H 10 4.618 4.608 0.010 1
1 69 . 11 1 1 A 11 11 LYS H H 11 8.814 8.033 0.781 1
1 70 . 11 1 1 A 11 11 LYS HA H 11 4.533 4.874 -0.341 1
1 77 . 11 1 1 A 12 12 PRO HA H 12 4.570 4.821 -0.251 1
1 84 . 11 1 1 A 13 13 VAL H H 13 8.283 7.887 0.396 1
1 85 . 11 1 1 A 13 13 VAL HA H 13 4.672 4.795 -0.123 1
1 93 . 11 1 1 A 14 14 CYS H H 14 8.695 9.090 -0.395 1
1 94 . 11 1 1 A 14 14 CYS HA H 14 5.205 5.314 -0.109 1
1 97 . 11 1 1 A 15 15 GLY H H 15 9.670 9.040 0.630 1
1 98 . 11 1 1 A 15 15 GLY HA2 H 15 4.754 4.265 0.489 1
1 99 . 11 1 1 A 15 15 GLY HA3 H 15 4.109 4.375 -0.266 1
1 100 . 11 1 1 A 16 16 SER H H 16 9.001 9.125 -0.124 1
1 101 . 11 1 1 A 16 16 SER HA H 16 3.982 4.143 -0.161 1
1 104 . 11 1 1 A 17 17 ASP H H 17 8.114 7.877 0.237 1
1 105 . 11 1 1 A 17 17 ASP HA H 17 4.524 4.705 -0.181 1
1 108 . 11 1 1 A 18 18 GLY H H 18 8.360 8.272 0.088 1
1 109 . 11 1 1 A 18 18 GLY HA2 H 18 3.698 3.898 -0.200 1
1 110 . 11 1 1 A 18 18 GLY HA3 H 18 4.025 3.898 0.127 1
1 111 . 11 1 1 A 19 19 ARG H H 19 7.439 7.924 -0.485 1
1 112 . 11 1 1 A 19 19 ARG HA H 19 4.398 4.221 0.177 1
1 119 . 11 1 1 A 20 20 THR H H 20 8.292 8.217 0.075 1
1 120 . 11 1 1 A 20 20 THR HA H 20 4.950 4.934 0.016 1
1 125 . 11 1 1 A 21 21 TYR H H 21 9.153 8.142 1.011 1
1 126 . 11 1 1 A 21 21 TYR HA H 21 4.548 4.933 -0.385 1
1 133 . 11 1 1 A 22 22 ALA H H 22 8.884 8.729 0.155 1
1 134 . 11 1 1 A 22 22 ALA HA H 22 3.858 4.197 -0.339 1
1 138 . 11 1 1 A 23 23 ASN H H 23 7.112 7.879 -0.767 1
1 139 . 11 1 1 A 23 23 ASN HA H 23 4.904 5.339 -0.435 1
1 144 . 11 1 1 A 24 24 SER H H 24 9.338 8.867 0.471 1
1 145 . 11 1 1 A 24 24 SER HA H 24 3.904 4.040 -0.136 1
1 146 . 11 1 1 A 25 25 CYS H H 25 8.018 8.085 -0.067 1
1 147 . 11 1 1 A 25 25 CYS HA H 25 4.224 4.125 0.099 1
1 150 . 11 1 1 A 26 26 ILE H H 26 8.121 7.862 0.259 1
1 151 . 11 1 1 A 26 26 ILE HA H 26 3.555 3.837 -0.282 1
1 158 . 11 1 1 A 27 27 ALA H H 27 7.235 8.234 -0.999 1
1 159 . 11 1 1 A 27 27 ALA HA H 27 2.789 3.232 -0.443 1
1 163 . 11 1 1 A 28 28 ARG H H 28 7.934 8.139 -0.205 1
1 164 . 11 1 1 A 28 28 ARG HA H 28 3.992 3.900 0.092 1
1 172 . 11 1 1 A 29 29 CYS H H 29 8.485 7.862 0.623 1
1 173 . 11 1 1 A 29 29 CYS HA H 29 4.181 4.416 -0.235 1
1 176 . 11 1 1 A 30 30 ASN H H 30 7.464 7.791 -0.327 1
1 177 . 11 1 1 A 30 30 ASN HA H 30 4.667 4.644 0.023 1
1 182 . 11 1 1 A 31 31 GLY H H 31 7.884 8.267 -0.383 1
1 183 . 11 1 1 A 31 31 GLY HA2 H 31 3.738 3.847 -0.109 1
1 184 . 11 1 1 A 31 31 GLY HA3 H 31 3.929 3.853 0.076 1
1 185 . 11 1 1 A 32 32 VAL H H 32 7.270 7.132 0.138 1
1 186 . 11 1 1 A 32 32 VAL HA H 32 4.228 4.558 -0.330 1
1 194 . 11 1 1 A 33 33 SER H H 33 8.048 8.796 -0.748 1
1 195 . 11 1 1 A 33 33 SER HA H 33 4.410 4.758 -0.348 1
1 198 . 11 1 1 A 34 34 ILE H H 34 8.571 8.443 0.128 1
1 199 . 11 1 1 A 34 34 ILE HA H 34 3.879 4.754 -0.875 1
1 209 . 11 1 1 A 35 35 LYS H H 35 9.176 9.263 -0.087 1
1 210 . 11 1 1 A 35 35 LYS HA H 35 4.251 4.462 -0.211 1
1 215 . 11 1 1 A 36 36 SER H H 36 7.744 7.162 0.582 1
1 216 . 11 1 1 A 36 36 SER HA H 36 4.508 4.634 -0.126 1
1 219 . 11 1 1 A 37 37 GLU H H 37 8.612 8.683 -0.071 1
1 220 . 11 1 1 A 37 37 GLU HA H 37 4.314 4.464 -0.150 1
1 225 . 11 1 1 A 38 38 GLY H H 38 8.008 8.548 -0.540 1
1 226 . 11 1 1 A 38 38 GLY HA2 H 38 3.489 4.044 -0.555 1
1 227 . 11 1 1 A 38 38 GLY HA3 H 38 4.234 4.047 0.187 1
1 228 . 11 1 1 A 39 39 SER H H 39 7.780 8.513 -0.733 1
1 229 . 11 1 1 A 39 39 SER HA H 39 4.109 4.376 -0.267 1
1 232 . 11 1 1 A 40 40 CYS H H 40 8.402 8.525 -0.123 1
1 233 . 11 1 1 A 40 40 CYS HA H 40 4.627 4.701 -0.074 1
1 236 . 11 1 1 A 41 41 PRO HA H 41 4.408 4.651 -0.243 1
1 243 . 11 1 1 A 42 42 THR H H 42 8.192 8.639 -0.447 1
1 244 . 11 1 1 A 42 42 THR HA H 42 4.182 4.104 0.078 1
1 249 . 11 1 1 A 43 43 GLY H H 43 8.302 7.441 0.861 1
1 250 . 11 1 1 A 43 43 GLY HA2 H 43 3.900 4.127 -0.227 1
1 251 . 11 1 1 A 43 43 GLY HA3 H 43 3.900 4.127 -0.227 1
1 2 . 12 1 1 A 2 2 LYS H H 2 8.629 8.951 -0.322 1
1 3 . 12 1 1 A 2 2 LYS HA H 2 4.345 4.979 -0.634 1
1 8 . 12 1 1 A 3 3 VAL H H 3 8.359 8.614 -0.255 1
1 9 . 12 1 1 A 3 3 VAL HA H 3 4.051 4.234 -0.183 1
1 17 . 12 1 1 A 4 4 CYS H H 4 8.384 8.697 -0.313 1
1 18 . 12 1 1 A 4 4 CYS HA H 4 4.416 4.410 0.006 1
1 21 . 12 1 1 A 5 5 ALA H H 5 8.373 8.263 0.110 1
1 22 . 12 1 1 A 5 5 ALA HA H 5 4.400 4.412 -0.012 1
1 26 . 12 1 1 A 6 6 CYS H H 6 8.110 8.646 -0.536 1
1 27 . 12 1 1 A 6 6 CYS HA H 6 5.098 5.071 0.027 1
1 30 . 12 1 1 A 7 7 PRO HA H 7 4.427 4.596 -0.169 1
1 37 . 12 1 1 A 8 8 LYS H H 8 8.660 8.790 -0.130 1
1 38 . 12 1 1 A 8 8 LYS HA H 8 4.229 4.154 0.075 1
1 47 . 12 1 1 A 9 9 ILE H H 9 6.860 7.344 -0.484 1
1 48 . 12 1 1 A 9 9 ILE HA H 9 4.076 4.149 -0.073 1
1 58 . 12 1 1 A 10 10 LEU H H 10 8.603 8.535 0.068 1
1 59 . 12 1 1 A 10 10 LEU HA H 10 4.618 4.518 0.100 1
1 69 . 12 1 1 A 11 11 LYS H H 11 8.814 8.080 0.734 1
1 70 . 12 1 1 A 11 11 LYS HA H 11 4.533 4.868 -0.335 1
1 77 . 12 1 1 A 12 12 PRO HA H 12 4.570 4.820 -0.250 1
1 84 . 12 1 1 A 13 13 VAL H H 13 8.283 8.386 -0.103 1
1 85 . 12 1 1 A 13 13 VAL HA H 13 4.672 4.792 -0.120 1
1 93 . 12 1 1 A 14 14 CYS H H 14 8.695 8.982 -0.287 1
1 94 . 12 1 1 A 14 14 CYS HA H 14 5.205 5.122 0.083 1
1 97 . 12 1 1 A 15 15 GLY H H 15 9.670 8.930 0.740 1
1 98 . 12 1 1 A 15 15 GLY HA2 H 15 4.754 4.237 0.517 1
1 99 . 12 1 1 A 15 15 GLY HA3 H 15 4.109 4.340 -0.231 1
1 100 . 12 1 1 A 16 16 SER H H 16 9.001 9.093 -0.092 1
1 101 . 12 1 1 A 16 16 SER HA H 16 3.982 4.117 -0.135 1
1 104 . 12 1 1 A 17 17 ASP H H 17 8.114 7.811 0.303 1
1 105 . 12 1 1 A 17 17 ASP HA H 17 4.524 4.727 -0.203 1
1 108 . 12 1 1 A 18 18 GLY H H 18 8.360 8.191 0.169 1
1 109 . 12 1 1 A 18 18 GLY HA2 H 18 3.698 3.933 -0.235 1
1 110 . 12 1 1 A 18 18 GLY HA3 H 18 4.025 3.934 0.091 1
1 111 . 12 1 1 A 19 19 ARG H H 19 7.439 7.942 -0.503 1
1 112 . 12 1 1 A 19 19 ARG HA H 19 4.398 4.244 0.154 1
1 119 . 12 1 1 A 20 20 THR H H 20 8.292 8.170 0.122 1
1 120 . 12 1 1 A 20 20 THR HA H 20 4.950 4.843 0.107 1
1 125 . 12 1 1 A 21 21 TYR H H 21 9.153 8.037 1.116 1
1 126 . 12 1 1 A 21 21 TYR HA H 21 4.548 4.951 -0.403 1
1 133 . 12 1 1 A 22 22 ALA H H 22 8.884 8.738 0.146 1
1 134 . 12 1 1 A 22 22 ALA HA H 22 3.858 4.201 -0.343 1
1 138 . 12 1 1 A 23 23 ASN H H 23 7.112 7.839 -0.727 1
1 139 . 12 1 1 A 23 23 ASN HA H 23 4.904 5.331 -0.427 1
1 144 . 12 1 1 A 24 24 SER H H 24 9.338 8.731 0.607 1
1 145 . 12 1 1 A 24 24 SER HA H 24 3.904 4.105 -0.201 1
1 146 . 12 1 1 A 25 25 CYS H H 25 8.018 8.100 -0.082 1
1 147 . 12 1 1 A 25 25 CYS HA H 25 4.224 4.081 0.143 1
1 150 . 12 1 1 A 26 26 ILE H H 26 8.121 7.791 0.330 1
1 151 . 12 1 1 A 26 26 ILE HA H 26 3.555 3.837 -0.282 1
1 158 . 12 1 1 A 27 27 ALA H H 27 7.235 8.183 -0.948 1
1 159 . 12 1 1 A 27 27 ALA HA H 27 2.789 3.290 -0.501 1
1 163 . 12 1 1 A 28 28 ARG H H 28 7.934 8.424 -0.490 1
1 164 . 12 1 1 A 28 28 ARG HA H 28 3.992 3.930 0.062 1
1 172 . 12 1 1 A 29 29 CYS H H 29 8.485 7.510 0.975 1
1 173 . 12 1 1 A 29 29 CYS HA H 29 4.181 4.356 -0.175 1
1 176 . 12 1 1 A 30 30 ASN H H 30 7.464 7.902 -0.438 1
1 177 . 12 1 1 A 30 30 ASN HA H 30 4.667 4.650 0.017 1
1 182 . 12 1 1 A 31 31 GLY H H 31 7.884 8.652 -0.768 1
1 183 . 12 1 1 A 31 31 GLY HA2 H 31 3.738 3.864 -0.126 1
1 184 . 12 1 1 A 31 31 GLY HA3 H 31 3.929 3.870 0.059 1
1 185 . 12 1 1 A 32 32 VAL H H 32 7.270 6.987 0.283 1
1 186 . 12 1 1 A 32 32 VAL HA H 32 4.228 4.731 -0.503 1
1 194 . 12 1 1 A 33 33 SER H H 33 8.048 8.844 -0.796 1
1 195 . 12 1 1 A 33 33 SER HA H 33 4.410 4.676 -0.266 1
1 198 . 12 1 1 A 34 34 ILE H H 34 8.571 8.532 0.039 1
1 199 . 12 1 1 A 34 34 ILE HA H 34 3.879 4.908 -1.029 1
1 209 . 12 1 1 A 35 35 LYS H H 35 9.176 9.290 -0.114 1
1 210 . 12 1 1 A 35 35 LYS HA H 35 4.251 4.362 -0.111 1
1 215 . 12 1 1 A 36 36 SER H H 36 7.744 7.214 0.530 1
1 216 . 12 1 1 A 36 36 SER HA H 36 4.508 4.641 -0.133 1
1 219 . 12 1 1 A 37 37 GLU H H 37 8.612 8.627 -0.015 1
1 220 . 12 1 1 A 37 37 GLU HA H 37 4.314 4.391 -0.077 1
1 225 . 12 1 1 A 38 38 GLY H H 38 8.008 8.449 -0.441 1
1 226 . 12 1 1 A 38 38 GLY HA2 H 38 3.489 4.071 -0.582 1
1 227 . 12 1 1 A 38 38 GLY HA3 H 38 4.234 4.074 0.160 1
1 228 . 12 1 1 A 39 39 SER H H 39 7.780 8.277 -0.497 1
1 229 . 12 1 1 A 39 39 SER HA H 39 4.109 4.379 -0.270 1
1 232 . 12 1 1 A 40 40 CYS H H 40 8.402 8.498 -0.096 1
1 233 . 12 1 1 A 40 40 CYS HA H 40 4.627 4.771 -0.144 1
1 236 . 12 1 1 A 41 41 PRO HA H 41 4.408 4.672 -0.264 1
1 243 . 12 1 1 A 42 42 THR H H 42 8.192 8.438 -0.246 1
1 244 . 12 1 1 A 42 42 THR HA H 42 4.182 4.417 -0.235 1
1 249 . 12 1 1 A 43 43 GLY H H 43 8.302 7.595 0.707 1
1 250 . 12 1 1 A 43 43 GLY HA2 H 43 3.900 4.044 -0.144 1
1 251 . 12 1 1 A 43 43 GLY HA3 H 43 3.900 4.044 -0.144 1
1 2 . 13 1 1 A 2 2 LYS H H 2 8.629 7.553 1.076 1
1 3 . 13 1 1 A 2 2 LYS HA H 2 4.345 5.046 -0.701 1
1 8 . 13 1 1 A 3 3 VAL H H 3 8.359 8.724 -0.365 1
1 9 . 13 1 1 A 3 3 VAL HA H 3 4.051 4.515 -0.464 1
1 17 . 13 1 1 A 4 4 CYS H H 4 8.384 8.601 -0.217 1
1 18 . 13 1 1 A 4 4 CYS HA H 4 4.416 4.539 -0.123 1
1 21 . 13 1 1 A 5 5 ALA H H 5 8.373 8.277 0.096 1
1 22 . 13 1 1 A 5 5 ALA HA H 5 4.400 4.463 -0.063 1
1 26 . 13 1 1 A 6 6 CYS H H 6 8.110 8.218 -0.108 1
1 27 . 13 1 1 A 6 6 CYS HA H 6 5.098 5.077 0.021 1
1 30 . 13 1 1 A 7 7 PRO HA H 7 4.427 4.588 -0.161 1
1 37 . 13 1 1 A 8 8 LYS H H 8 8.660 8.910 -0.250 1
1 38 . 13 1 1 A 8 8 LYS HA H 8 4.229 4.113 0.116 1
1 47 . 13 1 1 A 9 9 ILE H H 9 6.860 7.322 -0.462 1
1 48 . 13 1 1 A 9 9 ILE HA H 9 4.076 4.152 -0.076 1
1 58 . 13 1 1 A 10 10 LEU H H 10 8.603 8.637 -0.034 1
1 59 . 13 1 1 A 10 10 LEU HA H 10 4.618 4.784 -0.166 1
1 69 . 13 1 1 A 11 11 LYS H H 11 8.814 7.878 0.936 1
1 70 . 13 1 1 A 11 11 LYS HA H 11 4.533 4.910 -0.377 1
1 77 . 13 1 1 A 12 12 PRO HA H 12 4.570 4.886 -0.316 1
1 84 . 13 1 1 A 13 13 VAL H H 13 8.283 7.992 0.291 1
1 85 . 13 1 1 A 13 13 VAL HA H 13 4.672 4.778 -0.106 1
1 93 . 13 1 1 A 14 14 CYS H H 14 8.695 9.039 -0.344 1
1 94 . 13 1 1 A 14 14 CYS HA H 14 5.205 5.403 -0.198 1
1 97 . 13 1 1 A 15 15 GLY H H 15 9.670 9.257 0.413 1
1 98 . 13 1 1 A 15 15 GLY HA2 H 15 4.754 4.206 0.548 1
1 99 . 13 1 1 A 15 15 GLY HA3 H 15 4.109 4.353 -0.244 1
1 100 . 13 1 1 A 16 16 SER H H 16 9.001 9.147 -0.146 1
1 101 . 13 1 1 A 16 16 SER HA H 16 3.982 4.187 -0.205 1
1 104 . 13 1 1 A 17 17 ASP H H 17 8.114 7.811 0.303 1
1 105 . 13 1 1 A 17 17 ASP HA H 17 4.524 4.702 -0.178 1
1 108 . 13 1 1 A 18 18 GLY H H 18 8.360 7.901 0.459 1
1 109 . 13 1 1 A 18 18 GLY HA2 H 18 3.698 3.955 -0.257 1
1 110 . 13 1 1 A 18 18 GLY HA3 H 18 4.025 3.965 0.060 1
1 111 . 13 1 1 A 19 19 ARG H H 19 7.439 7.984 -0.545 1
1 112 . 13 1 1 A 19 19 ARG HA H 19 4.398 4.270 0.128 1
1 119 . 13 1 1 A 20 20 THR H H 20 8.292 8.197 0.095 1
1 120 . 13 1 1 A 20 20 THR HA H 20 4.950 5.176 -0.226 1
1 125 . 13 1 1 A 21 21 TYR H H 21 9.153 8.548 0.605 1
1 126 . 13 1 1 A 21 21 TYR HA H 21 4.548 4.933 -0.385 1
1 133 . 13 1 1 A 22 22 ALA H H 22 8.884 8.819 0.065 1
1 134 . 13 1 1 A 22 22 ALA HA H 22 3.858 4.211 -0.353 1
1 138 . 13 1 1 A 23 23 ASN H H 23 7.112 7.822 -0.710 1
1 139 . 13 1 1 A 23 23 ASN HA H 23 4.904 5.319 -0.415 1
1 144 . 13 1 1 A 24 24 SER H H 24 9.338 8.719 0.619 1
1 145 . 13 1 1 A 24 24 SER HA H 24 3.904 4.063 -0.159 1
1 146 . 13 1 1 A 25 25 CYS H H 25 8.018 8.122 -0.104 1
1 147 . 13 1 1 A 25 25 CYS HA H 25 4.224 4.043 0.181 1
1 150 . 13 1 1 A 26 26 ILE H H 26 8.121 7.882 0.239 1
1 151 . 13 1 1 A 26 26 ILE HA H 26 3.555 3.899 -0.344 1
1 158 . 13 1 1 A 27 27 ALA H H 27 7.235 8.123 -0.888 1
1 159 . 13 1 1 A 27 27 ALA HA H 27 2.789 3.282 -0.493 1
1 163 . 13 1 1 A 28 28 ARG H H 28 7.934 8.379 -0.445 1
1 164 . 13 1 1 A 28 28 ARG HA H 28 3.992 3.909 0.083 1
1 172 . 13 1 1 A 29 29 CYS H H 29 8.485 7.682 0.803 1
1 173 . 13 1 1 A 29 29 CYS HA H 29 4.181 4.332 -0.151 1
1 176 . 13 1 1 A 30 30 ASN H H 30 7.464 7.994 -0.530 1
1 177 . 13 1 1 A 30 30 ASN HA H 30 4.667 4.697 -0.030 1
1 182 . 13 1 1 A 31 31 GLY H H 31 7.884 8.201 -0.317 1
1 183 . 13 1 1 A 31 31 GLY HA2 H 31 3.738 3.874 -0.136 1
1 184 . 13 1 1 A 31 31 GLY HA3 H 31 3.929 3.883 0.046 1
1 185 . 13 1 1 A 32 32 VAL H H 32 7.270 6.951 0.319 1
1 186 . 13 1 1 A 32 32 VAL HA H 32 4.228 4.743 -0.515 1
1 194 . 13 1 1 A 33 33 SER H H 33 8.048 8.735 -0.687 1
1 195 . 13 1 1 A 33 33 SER HA H 33 4.410 4.873 -0.463 1
1 198 . 13 1 1 A 34 34 ILE H H 34 8.571 8.549 0.022 1
1 199 . 13 1 1 A 34 34 ILE HA H 34 3.879 4.654 -0.775 1
1 209 . 13 1 1 A 35 35 LYS H H 35 9.176 9.350 -0.174 1
1 210 . 13 1 1 A 35 35 LYS HA H 35 4.251 4.382 -0.131 1
1 215 . 13 1 1 A 36 36 SER H H 36 7.744 7.326 0.418 1
1 216 . 13 1 1 A 36 36 SER HA H 36 4.508 4.660 -0.152 1
1 219 . 13 1 1 A 37 37 GLU H H 37 8.612 8.620 -0.008 1
1 220 . 13 1 1 A 37 37 GLU HA H 37 4.314 4.420 -0.106 1
1 225 . 13 1 1 A 38 38 GLY H H 38 8.008 8.545 -0.537 1
1 226 . 13 1 1 A 38 38 GLY HA2 H 38 3.489 4.041 -0.552 1
1 227 . 13 1 1 A 38 38 GLY HA3 H 38 4.234 4.044 0.190 1
1 228 . 13 1 1 A 39 39 SER H H 39 7.780 8.520 -0.740 1
1 229 . 13 1 1 A 39 39 SER HA H 39 4.109 4.444 -0.335 1
1 232 . 13 1 1 A 40 40 CYS H H 40 8.402 8.721 -0.319 1
1 233 . 13 1 1 A 40 40 CYS HA H 40 4.627 4.713 -0.086 1
1 236 . 13 1 1 A 41 41 PRO HA H 41 4.408 4.787 -0.379 1
1 243 . 13 1 1 A 42 42 THR H H 42 8.192 8.661 -0.469 1
1 244 . 13 1 1 A 42 42 THR HA H 42 4.182 4.526 -0.344 1
1 249 . 13 1 1 A 43 43 GLY H H 43 8.302 8.012 0.290 1
1 250 . 13 1 1 A 43 43 GLY HA2 H 43 3.900 3.736 0.164 1
1 251 . 13 1 1 A 43 43 GLY HA3 H 43 3.900 3.736 0.164 1
1 2 . 14 1 1 A 2 2 LYS H H 2 8.629 8.006 0.623 1
1 3 . 14 1 1 A 2 2 LYS HA H 2 4.345 4.432 -0.087 1
1 8 . 14 1 1 A 3 3 VAL H H 3 8.359 8.552 -0.193 1
1 9 . 14 1 1 A 3 3 VAL HA H 3 4.051 4.350 -0.299 1
1 17 . 14 1 1 A 4 4 CYS H H 4 8.384 8.806 -0.422 1
1 18 . 14 1 1 A 4 4 CYS HA H 4 4.416 4.557 -0.141 1
1 21 . 14 1 1 A 5 5 ALA H H 5 8.373 8.316 0.057 1
1 22 . 14 1 1 A 5 5 ALA HA H 5 4.400 4.330 0.070 1
1 26 . 14 1 1 A 6 6 CYS H H 6 8.110 8.216 -0.106 1
1 27 . 14 1 1 A 6 6 CYS HA H 6 5.098 5.113 -0.015 1
1 30 . 14 1 1 A 7 7 PRO HA H 7 4.427 4.590 -0.163 1
1 37 . 14 1 1 A 8 8 LYS H H 8 8.660 8.784 -0.124 1
1 38 . 14 1 1 A 8 8 LYS HA H 8 4.229 4.160 0.069 1
1 47 . 14 1 1 A 9 9 ILE H H 9 6.860 7.360 -0.500 1
1 48 . 14 1 1 A 9 9 ILE HA H 9 4.076 3.983 0.093 1
1 58 . 14 1 1 A 10 10 LEU H H 10 8.603 8.663 -0.060 1
1 59 . 14 1 1 A 10 10 LEU HA H 10 4.618 4.291 0.327 1
1 69 . 14 1 1 A 11 11 LYS H H 11 8.814 7.667 1.147 1
1 70 . 14 1 1 A 11 11 LYS HA H 11 4.533 4.890 -0.357 1
1 77 . 14 1 1 A 12 12 PRO HA H 12 4.570 4.859 -0.289 1
1 84 . 14 1 1 A 13 13 VAL H H 13 8.283 8.376 -0.093 1
1 85 . 14 1 1 A 13 13 VAL HA H 13 4.672 4.740 -0.068 1
1 93 . 14 1 1 A 14 14 CYS H H 14 8.695 8.867 -0.172 1
1 94 . 14 1 1 A 14 14 CYS HA H 14 5.205 4.982 0.223 1
1 97 . 14 1 1 A 15 15 GLY H H 15 9.670 8.944 0.726 1
1 98 . 14 1 1 A 15 15 GLY HA2 H 15 4.754 4.273 0.481 1
1 99 . 14 1 1 A 15 15 GLY HA3 H 15 4.109 4.339 -0.230 1
1 100 . 14 1 1 A 16 16 SER H H 16 9.001 9.151 -0.150 1
1 101 . 14 1 1 A 16 16 SER HA H 16 3.982 4.194 -0.212 1
1 104 . 14 1 1 A 17 17 ASP H H 17 8.114 7.833 0.281 1
1 105 . 14 1 1 A 17 17 ASP HA H 17 4.524 4.720 -0.196 1
1 108 . 14 1 1 A 18 18 GLY H H 18 8.360 7.967 0.393 1
1 109 . 14 1 1 A 18 18 GLY HA2 H 18 3.698 3.922 -0.224 1
1 110 . 14 1 1 A 18 18 GLY HA3 H 18 4.025 3.923 0.102 1
1 111 . 14 1 1 A 19 19 ARG H H 19 7.439 7.931 -0.492 1
1 112 . 14 1 1 A 19 19 ARG HA H 19 4.398 4.228 0.170 1
1 119 . 14 1 1 A 20 20 THR H H 20 8.292 8.166 0.126 1
1 120 . 14 1 1 A 20 20 THR HA H 20 4.950 4.903 0.047 1
1 125 . 14 1 1 A 21 21 TYR H H 21 9.153 8.044 1.109 1
1 126 . 14 1 1 A 21 21 TYR HA H 21 4.548 4.982 -0.434 1
1 133 . 14 1 1 A 22 22 ALA H H 22 8.884 8.727 0.157 1
1 134 . 14 1 1 A 22 22 ALA HA H 22 3.858 4.199 -0.341 1
1 138 . 14 1 1 A 23 23 ASN H H 23 7.112 7.807 -0.695 1
1 139 . 14 1 1 A 23 23 ASN HA H 23 4.904 5.176 -0.272 1
1 144 . 14 1 1 A 24 24 SER H H 24 9.338 8.931 0.407 1
1 145 . 14 1 1 A 24 24 SER HA H 24 3.904 4.285 -0.381 1
1 146 . 14 1 1 A 25 25 CYS H H 25 8.018 8.297 -0.279 1
1 147 . 14 1 1 A 25 25 CYS HA H 25 4.224 4.868 -0.644 1
1 150 . 14 1 1 A 26 26 ILE H H 26 8.121 7.740 0.381 1
1 151 . 14 1 1 A 26 26 ILE HA H 26 3.555 3.856 -0.301 1
1 158 . 14 1 1 A 27 27 ALA H H 27 7.235 7.826 -0.591 1
1 159 . 14 1 1 A 27 27 ALA HA H 27 2.789 3.391 -0.602 1
1 163 . 14 1 1 A 28 28 ARG H H 28 7.934 8.171 -0.237 1
1 164 . 14 1 1 A 28 28 ARG HA H 28 3.992 3.893 0.099 1
1 172 . 14 1 1 A 29 29 CYS H H 29 8.485 7.546 0.939 1
1 173 . 14 1 1 A 29 29 CYS HA H 29 4.181 4.370 -0.189 1
1 176 . 14 1 1 A 30 30 ASN H H 30 7.464 8.063 -0.599 1
1 177 . 14 1 1 A 30 30 ASN HA H 30 4.667 4.707 -0.040 1
1 182 . 14 1 1 A 31 31 GLY H H 31 7.884 7.717 0.167 1
1 183 . 14 1 1 A 31 31 GLY HA2 H 31 3.738 3.924 -0.186 1
1 184 . 14 1 1 A 31 31 GLY HA3 H 31 3.929 3.930 -0.001 1
1 185 . 14 1 1 A 32 32 VAL H H 32 7.270 7.476 -0.206 1
1 186 . 14 1 1 A 32 32 VAL HA H 32 4.228 4.691 -0.463 1
1 194 . 14 1 1 A 33 33 SER H H 33 8.048 8.963 -0.915 1
1 195 . 14 1 1 A 33 33 SER HA H 33 4.410 4.801 -0.391 1
1 198 . 14 1 1 A 34 34 ILE H H 34 8.571 8.560 0.011 1
1 199 . 14 1 1 A 34 34 ILE HA H 34 3.879 4.988 -1.109 1
1 209 . 14 1 1 A 35 35 LYS H H 35 9.176 9.535 -0.359 1
1 210 . 14 1 1 A 35 35 LYS HA H 35 4.251 4.470 -0.219 1
1 215 . 14 1 1 A 36 36 SER H H 36 7.744 7.275 0.469 1
1 216 . 14 1 1 A 36 36 SER HA H 36 4.508 4.617 -0.109 1
1 219 . 14 1 1 A 37 37 GLU H H 37 8.612 8.663 -0.051 1
1 220 . 14 1 1 A 37 37 GLU HA H 37 4.314 4.395 -0.081 1
1 225 . 14 1 1 A 38 38 GLY H H 38 8.008 8.556 -0.548 1
1 226 . 14 1 1 A 38 38 GLY HA2 H 38 3.489 4.070 -0.581 1
1 227 . 14 1 1 A 38 38 GLY HA3 H 38 4.234 4.072 0.162 1
1 228 . 14 1 1 A 39 39 SER H H 39 7.780 8.514 -0.734 1
1 229 . 14 1 1 A 39 39 SER HA H 39 4.109 4.331 -0.222 1
1 232 . 14 1 1 A 40 40 CYS H H 40 8.402 8.425 -0.023 1
1 233 . 14 1 1 A 40 40 CYS HA H 40 4.627 4.732 -0.105 1
1 236 . 14 1 1 A 41 41 PRO HA H 41 4.408 4.655 -0.247 1
1 243 . 14 1 1 A 42 42 THR H H 42 8.192 8.753 -0.561 1
1 244 . 14 1 1 A 42 42 THR HA H 42 4.182 4.149 0.033 1
1 249 . 14 1 1 A 43 43 GLY H H 43 8.302 7.323 0.979 1
1 250 . 14 1 1 A 43 43 GLY HA2 H 43 3.900 4.072 -0.172 1
1 251 . 14 1 1 A 43 43 GLY HA3 H 43 3.900 4.073 -0.173 1
1 2 . 15 1 1 A 2 2 LYS H H 2 8.629 8.260 0.369 1
1 3 . 15 1 1 A 2 2 LYS HA H 2 4.345 4.931 -0.586 1
1 8 . 15 1 1 A 3 3 VAL H H 3 8.359 8.314 0.045 1
1 9 . 15 1 1 A 3 3 VAL HA H 3 4.051 4.397 -0.346 1
1 17 . 15 1 1 A 4 4 CYS H H 4 8.384 7.618 0.766 1
1 18 . 15 1 1 A 4 4 CYS HA H 4 4.416 4.606 -0.190 1
1 21 . 15 1 1 A 5 5 ALA H H 5 8.373 8.414 -0.041 1
1 22 . 15 1 1 A 5 5 ALA HA H 5 4.400 4.399 0.001 1
1 26 . 15 1 1 A 6 6 CYS H H 6 8.110 8.114 -0.004 1
1 27 . 15 1 1 A 6 6 CYS HA H 6 5.098 5.052 0.046 1
1 30 . 15 1 1 A 7 7 PRO HA H 7 4.427 4.610 -0.183 1
1 37 . 15 1 1 A 8 8 LYS H H 8 8.660 8.877 -0.217 1
1 38 . 15 1 1 A 8 8 LYS HA H 8 4.229 4.254 -0.025 1
1 47 . 15 1 1 A 9 9 ILE H H 9 6.860 7.396 -0.536 1
1 48 . 15 1 1 A 9 9 ILE HA H 9 4.076 3.955 0.121 1
1 58 . 15 1 1 A 10 10 LEU H H 10 8.603 8.813 -0.210 1
1 59 . 15 1 1 A 10 10 LEU HA H 10 4.618 4.554 0.064 1
1 69 . 15 1 1 A 11 11 LYS H H 11 8.814 8.069 0.745 1
1 70 . 15 1 1 A 11 11 LYS HA H 11 4.533 4.872 -0.339 1
1 77 . 15 1 1 A 12 12 PRO HA H 12 4.570 4.888 -0.318 1
1 84 . 15 1 1 A 13 13 VAL H H 13 8.283 8.370 -0.087 1
1 85 . 15 1 1 A 13 13 VAL HA H 13 4.672 4.750 -0.078 1
1 93 . 15 1 1 A 14 14 CYS H H 14 8.695 8.894 -0.199 1
1 94 . 15 1 1 A 14 14 CYS HA H 14 5.205 5.188 0.017 1
1 97 . 15 1 1 A 15 15 GLY H H 15 9.670 8.936 0.734 1
1 98 . 15 1 1 A 15 15 GLY HA2 H 15 4.754 4.209 0.545 1
1 99 . 15 1 1 A 15 15 GLY HA3 H 15 4.109 4.359 -0.250 1
1 100 . 15 1 1 A 16 16 SER H H 16 9.001 9.114 -0.113 1
1 101 . 15 1 1 A 16 16 SER HA H 16 3.982 4.222 -0.240 1
1 104 . 15 1 1 A 17 17 ASP H H 17 8.114 7.851 0.263 1
1 105 . 15 1 1 A 17 17 ASP HA H 17 4.524 4.690 -0.166 1
1 108 . 15 1 1 A 18 18 GLY H H 18 8.360 8.063 0.297 1
1 109 . 15 1 1 A 18 18 GLY HA2 H 18 3.698 3.922 -0.224 1
1 110 . 15 1 1 A 18 18 GLY HA3 H 18 4.025 3.928 0.097 1
1 111 . 15 1 1 A 19 19 ARG H H 19 7.439 7.965 -0.526 1
1 112 . 15 1 1 A 19 19 ARG HA H 19 4.398 4.340 0.058 1
1 119 . 15 1 1 A 20 20 THR H H 20 8.292 8.350 -0.058 1
1 120 . 15 1 1 A 20 20 THR HA H 20 4.950 5.209 -0.259 1
1 125 . 15 1 1 A 21 21 TYR H H 21 9.153 8.038 1.115 1
1 126 . 15 1 1 A 21 21 TYR HA H 21 4.548 4.940 -0.392 1
1 133 . 15 1 1 A 22 22 ALA H H 22 8.884 8.761 0.123 1
1 134 . 15 1 1 A 22 22 ALA HA H 22 3.858 4.176 -0.318 1
1 138 . 15 1 1 A 23 23 ASN H H 23 7.112 7.840 -0.728 1
1 139 . 15 1 1 A 23 23 ASN HA H 23 4.904 5.234 -0.330 1
1 144 . 15 1 1 A 24 24 SER H H 24 9.338 8.904 0.434 1
1 145 . 15 1 1 A 24 24 SER HA H 24 3.904 4.231 -0.327 1
1 146 . 15 1 1 A 25 25 CYS H H 25 8.018 7.658 0.360 1
1 147 . 15 1 1 A 25 25 CYS HA H 25 4.224 4.759 -0.535 1
1 150 . 15 1 1 A 26 26 ILE H H 26 8.121 8.009 0.112 1
1 151 . 15 1 1 A 26 26 ILE HA H 26 3.555 3.839 -0.284 1
1 158 . 15 1 1 A 27 27 ALA H H 27 7.235 7.742 -0.507 1
1 159 . 15 1 1 A 27 27 ALA HA H 27 2.789 3.306 -0.517 1
1 163 . 15 1 1 A 28 28 ARG H H 28 7.934 7.948 -0.014 1
1 164 . 15 1 1 A 28 28 ARG HA H 28 3.992 4.151 -0.159 1
1 172 . 15 1 1 A 29 29 CYS H H 29 8.485 7.628 0.857 1
1 173 . 15 1 1 A 29 29 CYS HA H 29 4.181 4.338 -0.157 1
1 176 . 15 1 1 A 30 30 ASN H H 30 7.464 7.952 -0.488 1
1 177 . 15 1 1 A 30 30 ASN HA H 30 4.667 4.684 -0.017 1
1 182 . 15 1 1 A 31 31 GLY H H 31 7.884 7.881 0.003 1
1 183 . 15 1 1 A 31 31 GLY HA2 H 31 3.738 3.912 -0.174 1
1 184 . 15 1 1 A 31 31 GLY HA3 H 31 3.929 3.918 0.011 1
1 185 . 15 1 1 A 32 32 VAL H H 32 7.270 7.229 0.041 1
1 186 . 15 1 1 A 32 32 VAL HA H 32 4.228 4.670 -0.442 1
1 194 . 15 1 1 A 33 33 SER H H 33 8.048 8.798 -0.750 1
1 195 . 15 1 1 A 33 33 SER HA H 33 4.410 5.148 -0.738 1
1 198 . 15 1 1 A 34 34 ILE H H 34 8.571 8.975 -0.404 1
1 199 . 15 1 1 A 34 34 ILE HA H 34 3.879 4.318 -0.439 1
1 209 . 15 1 1 A 35 35 LYS H H 35 9.176 8.775 0.401 1
1 210 . 15 1 1 A 35 35 LYS HA H 35 4.251 4.253 -0.002 1
1 215 . 15 1 1 A 36 36 SER H H 36 7.744 7.394 0.350 1
1 216 . 15 1 1 A 36 36 SER HA H 36 4.508 4.660 -0.152 1
1 219 . 15 1 1 A 37 37 GLU H H 37 8.612 8.646 -0.034 1
1 220 . 15 1 1 A 37 37 GLU HA H 37 4.314 4.483 -0.169 1
1 225 . 15 1 1 A 38 38 GLY H H 38 8.008 8.229 -0.221 1
1 226 . 15 1 1 A 38 38 GLY HA2 H 38 3.489 4.091 -0.602 1
1 227 . 15 1 1 A 38 38 GLY HA3 H 38 4.234 4.093 0.141 1
1 228 . 15 1 1 A 39 39 SER H H 39 7.780 8.365 -0.585 1
1 229 . 15 1 1 A 39 39 SER HA H 39 4.109 4.479 -0.370 1
1 232 . 15 1 1 A 40 40 CYS H H 40 8.402 8.635 -0.233 1
1 233 . 15 1 1 A 40 40 CYS HA H 40 4.627 4.662 -0.035 1
1 236 . 15 1 1 A 41 41 PRO HA H 41 4.408 4.779 -0.371 1
1 243 . 15 1 1 A 42 42 THR H H 42 8.192 8.937 -0.745 1
1 244 . 15 1 1 A 42 42 THR HA H 42 4.182 4.622 -0.440 1
1 249 . 15 1 1 A 43 43 GLY H H 43 8.302 7.742 0.560 1
1 250 . 15 1 1 A 43 43 GLY HA2 H 43 3.900 3.941 -0.041 1
1 251 . 15 1 1 A 43 43 GLY HA3 H 43 3.900 3.942 -0.042 1
1 2 . 16 1 1 A 2 2 LYS H H 2 8.629 7.568 1.061 1
1 3 . 16 1 1 A 2 2 LYS HA H 2 4.345 4.730 -0.385 1
1 8 . 16 1 1 A 3 3 VAL H H 3 8.359 8.579 -0.220 1
1 9 . 16 1 1 A 3 3 VAL HA H 3 4.051 3.982 0.069 1
1 17 . 16 1 1 A 4 4 CYS H H 4 8.384 8.685 -0.301 1
1 18 . 16 1 1 A 4 4 CYS HA H 4 4.416 5.104 -0.688 1
1 21 . 16 1 1 A 5 5 ALA H H 5 8.373 8.476 -0.103 1
1 22 . 16 1 1 A 5 5 ALA HA H 5 4.400 4.265 0.135 1
1 26 . 16 1 1 A 6 6 CYS H H 6 8.110 8.361 -0.251 1
1 27 . 16 1 1 A 6 6 CYS HA H 6 5.098 5.149 -0.051 1
1 30 . 16 1 1 A 7 7 PRO HA H 7 4.427 4.745 -0.318 1
1 37 . 16 1 1 A 8 8 LYS H H 8 8.660 8.884 -0.224 1
1 38 . 16 1 1 A 8 8 LYS HA H 8 4.229 4.229 0.000 1
1 47 . 16 1 1 A 9 9 ILE H H 9 6.860 7.340 -0.480 1
1 48 . 16 1 1 A 9 9 ILE HA H 9 4.076 4.134 -0.058 1
1 58 . 16 1 1 A 10 10 LEU H H 10 8.603 8.601 0.002 1
1 59 . 16 1 1 A 10 10 LEU HA H 10 4.618 4.543 0.075 1
1 69 . 16 1 1 A 11 11 LYS H H 11 8.814 8.052 0.762 1
1 70 . 16 1 1 A 11 11 LYS HA H 11 4.533 4.887 -0.354 1
1 77 . 16 1 1 A 12 12 PRO HA H 12 4.570 4.831 -0.261 1
1 84 . 16 1 1 A 13 13 VAL H H 13 8.283 8.428 -0.145 1
1 85 . 16 1 1 A 13 13 VAL HA H 13 4.672 4.825 -0.153 1
1 93 . 16 1 1 A 14 14 CYS H H 14 8.695 8.943 -0.248 1
1 94 . 16 1 1 A 14 14 CYS HA H 14 5.205 4.944 0.261 1
1 97 . 16 1 1 A 15 15 GLY H H 15 9.670 8.950 0.720 1
1 98 . 16 1 1 A 15 15 GLY HA2 H 15 4.754 4.275 0.479 1
1 99 . 16 1 1 A 15 15 GLY HA3 H 15 4.109 4.353 -0.244 1
1 100 . 16 1 1 A 16 16 SER H H 16 9.001 9.346 -0.345 1
1 101 . 16 1 1 A 16 16 SER HA H 16 3.982 4.239 -0.257 1
1 104 . 16 1 1 A 17 17 ASP H H 17 8.114 8.102 0.012 1
1 105 . 16 1 1 A 17 17 ASP HA H 17 4.524 4.692 -0.168 1
1 108 . 16 1 1 A 18 18 GLY H H 18 8.360 8.282 0.078 1
1 109 . 16 1 1 A 18 18 GLY HA2 H 18 3.698 3.912 -0.214 1
1 110 . 16 1 1 A 18 18 GLY HA3 H 18 4.025 3.916 0.109 1
1 111 . 16 1 1 A 19 19 ARG H H 19 7.439 7.914 -0.475 1
1 112 . 16 1 1 A 19 19 ARG HA H 19 4.398 4.206 0.192 1
1 119 . 16 1 1 A 20 20 THR H H 20 8.292 8.207 0.085 1
1 120 . 16 1 1 A 20 20 THR HA H 20 4.950 4.985 -0.035 1
1 125 . 16 1 1 A 21 21 TYR H H 21 9.153 8.680 0.473 1
1 126 . 16 1 1 A 21 21 TYR HA H 21 4.548 4.912 -0.364 1
1 133 . 16 1 1 A 22 22 ALA H H 22 8.884 8.874 0.010 1
1 134 . 16 1 1 A 22 22 ALA HA H 22 3.858 4.248 -0.390 1
1 138 . 16 1 1 A 23 23 ASN H H 23 7.112 7.852 -0.740 1
1 139 . 16 1 1 A 23 23 ASN HA H 23 4.904 5.323 -0.419 1
1 144 . 16 1 1 A 24 24 SER H H 24 9.338 8.695 0.643 1
1 145 . 16 1 1 A 24 24 SER HA H 24 3.904 4.075 -0.171 1
1 146 . 16 1 1 A 25 25 CYS H H 25 8.018 8.100 -0.082 1
1 147 . 16 1 1 A 25 25 CYS HA H 25 4.224 4.143 0.081 1
1 150 . 16 1 1 A 26 26 ILE H H 26 8.121 8.106 0.015 1
1 151 . 16 1 1 A 26 26 ILE HA H 26 3.555 3.817 -0.262 1
1 158 . 16 1 1 A 27 27 ALA H H 27 7.235 7.782 -0.547 1
1 159 . 16 1 1 A 27 27 ALA HA H 27 2.789 3.139 -0.350 1
1 163 . 16 1 1 A 28 28 ARG H H 28 7.934 8.113 -0.179 1
1 164 . 16 1 1 A 28 28 ARG HA H 28 3.992 3.948 0.044 1
1 172 . 16 1 1 A 29 29 CYS H H 29 8.485 7.755 0.730 1
1 173 . 16 1 1 A 29 29 CYS HA H 29 4.181 4.380 -0.199 1
1 176 . 16 1 1 A 30 30 ASN H H 30 7.464 7.923 -0.459 1
1 177 . 16 1 1 A 30 30 ASN HA H 30 4.667 4.702 -0.035 1
1 182 . 16 1 1 A 31 31 GLY H H 31 7.884 8.200 -0.316 1
1 183 . 16 1 1 A 31 31 GLY HA2 H 31 3.738 3.899 -0.161 1
1 184 . 16 1 1 A 31 31 GLY HA3 H 31 3.929 3.908 0.021 1
1 185 . 16 1 1 A 32 32 VAL H H 32 7.270 7.051 0.219 1
1 186 . 16 1 1 A 32 32 VAL HA H 32 4.228 4.785 -0.557 1
1 194 . 16 1 1 A 33 33 SER H H 33 8.048 8.410 -0.362 1
1 195 . 16 1 1 A 33 33 SER HA H 33 4.410 4.764 -0.354 1
1 198 . 16 1 1 A 34 34 ILE H H 34 8.571 8.505 0.066 1
1 199 . 16 1 1 A 34 34 ILE HA H 34 3.879 4.610 -0.731 1
1 209 . 16 1 1 A 35 35 LYS H H 35 9.176 9.428 -0.252 1
1 210 . 16 1 1 A 35 35 LYS HA H 35 4.251 4.555 -0.304 1
1 215 . 16 1 1 A 36 36 SER H H 36 7.744 7.272 0.472 1
1 216 . 16 1 1 A 36 36 SER HA H 36 4.508 4.774 -0.266 1
1 219 . 16 1 1 A 37 37 GLU H H 37 8.612 8.671 -0.059 1
1 220 . 16 1 1 A 37 37 GLU HA H 37 4.314 4.470 -0.156 1
1 225 . 16 1 1 A 38 38 GLY H H 38 8.008 8.439 -0.431 1
1 226 . 16 1 1 A 38 38 GLY HA2 H 38 3.489 4.068 -0.579 1
1 227 . 16 1 1 A 38 38 GLY HA3 H 38 4.234 4.071 0.163 1
1 228 . 16 1 1 A 39 39 SER H H 39 7.780 8.273 -0.493 1
1 229 . 16 1 1 A 39 39 SER HA H 39 4.109 4.446 -0.337 1
1 232 . 16 1 1 A 40 40 CYS H H 40 8.402 8.372 0.030 1
1 233 . 16 1 1 A 40 40 CYS HA H 40 4.627 5.120 -0.493 1
1 236 . 16 1 1 A 41 41 PRO HA H 41 4.408 4.686 -0.278 1
1 243 . 16 1 1 A 42 42 THR H H 42 8.192 8.344 -0.152 1
1 244 . 16 1 1 A 42 42 THR HA H 42 4.182 4.454 -0.272 1
1 249 . 16 1 1 A 43 43 GLY H H 43 8.302 8.011 0.291 1
1 250 . 16 1 1 A 43 43 GLY HA2 H 43 3.900 4.121 -0.221 1
1 251 . 16 1 1 A 43 43 GLY HA3 H 43 3.900 4.121 -0.221 1
1 2 . 17 1 1 A 2 2 LYS H H 2 8.629 7.752 0.877 1
1 3 . 17 1 1 A 2 2 LYS HA H 2 4.345 4.429 -0.084 1
1 8 . 17 1 1 A 3 3 VAL H H 3 8.359 8.700 -0.341 1
1 9 . 17 1 1 A 3 3 VAL HA H 3 4.051 4.009 0.042 1
1 17 . 17 1 1 A 4 4 CYS H H 4 8.384 8.538 -0.154 1
1 18 . 17 1 1 A 4 4 CYS HA H 4 4.416 5.022 -0.606 1
1 21 . 17 1 1 A 5 5 ALA H H 5 8.373 8.373 0.000 1
1 22 . 17 1 1 A 5 5 ALA HA H 5 4.400 4.477 -0.077 1
1 26 . 17 1 1 A 6 6 CYS H H 6 8.110 8.622 -0.512 1
1 27 . 17 1 1 A 6 6 CYS HA H 6 5.098 5.122 -0.024 1
1 30 . 17 1 1 A 7 7 PRO HA H 7 4.427 4.577 -0.150 1
1 37 . 17 1 1 A 8 8 LYS H H 8 8.660 8.752 -0.092 1
1 38 . 17 1 1 A 8 8 LYS HA H 8 4.229 4.164 0.065 1
1 47 . 17 1 1 A 9 9 ILE H H 9 6.860 7.340 -0.480 1
1 48 . 17 1 1 A 9 9 ILE HA H 9 4.076 4.149 -0.073 1
1 58 . 17 1 1 A 10 10 LEU H H 10 8.603 8.536 0.067 1
1 59 . 17 1 1 A 10 10 LEU HA H 10 4.618 4.572 0.046 1
1 69 . 17 1 1 A 11 11 LYS H H 11 8.814 8.187 0.627 1
1 70 . 17 1 1 A 11 11 LYS HA H 11 4.533 4.875 -0.342 1
1 77 . 17 1 1 A 12 12 PRO HA H 12 4.570 4.794 -0.224 1
1 84 . 17 1 1 A 13 13 VAL H H 13 8.283 8.410 -0.127 1
1 85 . 17 1 1 A 13 13 VAL HA H 13 4.672 4.825 -0.153 1
1 93 . 17 1 1 A 14 14 CYS H H 14 8.695 9.073 -0.378 1
1 94 . 17 1 1 A 14 14 CYS HA H 14 5.205 5.187 0.018 1
1 97 . 17 1 1 A 15 15 GLY H H 15 9.670 8.987 0.683 1
1 98 . 17 1 1 A 15 15 GLY HA2 H 15 4.754 4.223 0.531 1
1 99 . 17 1 1 A 15 15 GLY HA3 H 15 4.109 4.330 -0.221 1
1 100 . 17 1 1 A 16 16 SER H H 16 9.001 9.117 -0.116 1
1 101 . 17 1 1 A 16 16 SER HA H 16 3.982 4.202 -0.220 1
1 104 . 17 1 1 A 17 17 ASP H H 17 8.114 7.765 0.349 1
1 105 . 17 1 1 A 17 17 ASP HA H 17 4.524 4.722 -0.198 1
1 108 . 17 1 1 A 18 18 GLY H H 18 8.360 8.071 0.289 1
1 109 . 17 1 1 A 18 18 GLY HA2 H 18 3.698 3.921 -0.223 1
1 110 . 17 1 1 A 18 18 GLY HA3 H 18 4.025 3.925 0.100 1
1 111 . 17 1 1 A 19 19 ARG H H 19 7.439 7.927 -0.488 1
1 112 . 17 1 1 A 19 19 ARG HA H 19 4.398 4.235 0.163 1
1 119 . 17 1 1 A 20 20 THR H H 20 8.292 8.177 0.115 1
1 120 . 17 1 1 A 20 20 THR HA H 20 4.950 4.979 -0.029 1
1 125 . 17 1 1 A 21 21 TYR H H 21 9.153 8.044 1.109 1
1 126 . 17 1 1 A 21 21 TYR HA H 21 4.548 4.933 -0.385 1
1 133 . 17 1 1 A 22 22 ALA H H 22 8.884 8.729 0.155 1
1 134 . 17 1 1 A 22 22 ALA HA H 22 3.858 4.198 -0.340 1
1 138 . 17 1 1 A 23 23 ASN H H 23 7.112 7.837 -0.725 1
1 139 . 17 1 1 A 23 23 ASN HA H 23 4.904 5.281 -0.377 1
1 144 . 17 1 1 A 24 24 SER H H 24 9.338 8.871 0.467 1
1 145 . 17 1 1 A 24 24 SER HA H 24 3.904 4.036 -0.132 1
1 146 . 17 1 1 A 25 25 CYS H H 25 8.018 8.000 0.018 1
1 147 . 17 1 1 A 25 25 CYS HA H 25 4.224 4.243 -0.019 1
1 150 . 17 1 1 A 26 26 ILE H H 26 8.121 7.780 0.341 1
1 151 . 17 1 1 A 26 26 ILE HA H 26 3.555 3.896 -0.341 1
1 158 . 17 1 1 A 27 27 ALA H H 27 7.235 8.313 -1.078 1
1 159 . 17 1 1 A 27 27 ALA HA H 27 2.789 3.307 -0.518 1
1 163 . 17 1 1 A 28 28 ARG H H 28 7.934 8.013 -0.079 1
1 164 . 17 1 1 A 28 28 ARG HA H 28 3.992 3.922 0.070 1
1 172 . 17 1 1 A 29 29 CYS H H 29 8.485 7.896 0.589 1
1 173 . 17 1 1 A 29 29 CYS HA H 29 4.181 4.361 -0.180 1
1 176 . 17 1 1 A 30 30 ASN H H 30 7.464 7.918 -0.454 1
1 177 . 17 1 1 A 30 30 ASN HA H 30 4.667 4.664 0.003 1
1 182 . 17 1 1 A 31 31 GLY H H 31 7.884 8.430 -0.546 1
1 183 . 17 1 1 A 31 31 GLY HA2 H 31 3.738 3.856 -0.118 1
1 184 . 17 1 1 A 31 31 GLY HA3 H 31 3.929 3.863 0.066 1
1 185 . 17 1 1 A 32 32 VAL H H 32 7.270 6.941 0.329 1
1 186 . 17 1 1 A 32 32 VAL HA H 32 4.228 4.711 -0.483 1
1 194 . 17 1 1 A 33 33 SER H H 33 8.048 8.836 -0.788 1
1 195 . 17 1 1 A 33 33 SER HA H 33 4.410 4.733 -0.323 1
1 198 . 17 1 1 A 34 34 ILE H H 34 8.571 8.640 -0.069 1
1 199 . 17 1 1 A 34 34 ILE HA H 34 3.879 4.536 -0.657 1
1 209 . 17 1 1 A 35 35 LYS H H 35 9.176 9.393 -0.217 1
1 210 . 17 1 1 A 35 35 LYS HA H 35 4.251 4.394 -0.143 1
1 215 . 17 1 1 A 36 36 SER H H 36 7.744 7.727 0.017 1
1 216 . 17 1 1 A 36 36 SER HA H 36 4.508 4.844 -0.336 1
1 219 . 17 1 1 A 37 37 GLU H H 37 8.612 8.642 -0.030 1
1 220 . 17 1 1 A 37 37 GLU HA H 37 4.314 4.358 -0.044 1
1 225 . 17 1 1 A 38 38 GLY H H 38 8.008 8.478 -0.470 1
1 226 . 17 1 1 A 38 38 GLY HA2 H 38 3.489 4.070 -0.581 1
1 227 . 17 1 1 A 38 38 GLY HA3 H 38 4.234 4.073 0.161 1
1 228 . 17 1 1 A 39 39 SER H H 39 7.780 8.279 -0.499 1
1 229 . 17 1 1 A 39 39 SER HA H 39 4.109 4.412 -0.303 1
1 232 . 17 1 1 A 40 40 CYS H H 40 8.402 8.447 -0.045 1
1 233 . 17 1 1 A 40 40 CYS HA H 40 4.627 4.856 -0.229 1
1 236 . 17 1 1 A 41 41 PRO HA H 41 4.408 4.698 -0.290 1
1 243 . 17 1 1 A 42 42 THR H H 42 8.192 8.679 -0.487 1
1 244 . 17 1 1 A 42 42 THR HA H 42 4.182 4.165 0.017 1
1 249 . 17 1 1 A 43 43 GLY H H 43 8.302 7.845 0.457 1
1 250 . 17 1 1 A 43 43 GLY HA2 H 43 3.900 4.023 -0.123 1
1 251 . 17 1 1 A 43 43 GLY HA3 H 43 3.900 4.023 -0.123 1
1 2 . 18 1 1 A 2 2 LYS H H 2 8.629 7.625 1.004 1
1 3 . 18 1 1 A 2 2 LYS HA H 2 4.345 4.660 -0.315 1
1 8 . 18 1 1 A 3 3 VAL H H 3 8.359 8.959 -0.600 1
1 9 . 18 1 1 A 3 3 VAL HA H 3 4.051 4.438 -0.387 1
1 17 . 18 1 1 A 4 4 CYS H H 4 8.384 8.698 -0.314 1
1 18 . 18 1 1 A 4 4 CYS HA H 4 4.416 4.785 -0.369 1
1 21 . 18 1 1 A 5 5 ALA H H 5 8.373 8.296 0.077 1
1 22 . 18 1 1 A 5 5 ALA HA H 5 4.400 4.366 0.034 1
1 26 . 18 1 1 A 6 6 CYS H H 6 8.110 8.222 -0.112 1
1 27 . 18 1 1 A 6 6 CYS HA H 6 5.098 5.084 0.014 1
1 30 . 18 1 1 A 7 7 PRO HA H 7 4.427 4.579 -0.152 1
1 37 . 18 1 1 A 8 8 LYS H H 8 8.660 8.906 -0.246 1
1 38 . 18 1 1 A 8 8 LYS HA H 8 4.229 4.197 0.032 1
1 47 . 18 1 1 A 9 9 ILE H H 9 6.860 7.415 -0.555 1
1 48 . 18 1 1 A 9 9 ILE HA H 9 4.076 3.986 0.090 1
1 58 . 18 1 1 A 10 10 LEU H H 10 8.603 8.768 -0.165 1
1 59 . 18 1 1 A 10 10 LEU HA H 10 4.618 4.597 0.021 1
1 69 . 18 1 1 A 11 11 LYS H H 11 8.814 7.915 0.899 1
1 70 . 18 1 1 A 11 11 LYS HA H 11 4.533 4.929 -0.396 1
1 77 . 18 1 1 A 12 12 PRO HA H 12 4.570 4.859 -0.289 1
1 84 . 18 1 1 A 13 13 VAL H H 13 8.283 8.358 -0.075 1
1 85 . 18 1 1 A 13 13 VAL HA H 13 4.672 4.775 -0.103 1
1 93 . 18 1 1 A 14 14 CYS H H 14 8.695 8.999 -0.304 1
1 94 . 18 1 1 A 14 14 CYS HA H 14 5.205 5.082 0.123 1
1 97 . 18 1 1 A 15 15 GLY H H 15 9.670 8.730 0.940 1
1 98 . 18 1 1 A 15 15 GLY HA2 H 15 4.754 4.229 0.525 1
1 99 . 18 1 1 A 15 15 GLY HA3 H 15 4.109 4.346 -0.237 1
1 100 . 18 1 1 A 16 16 SER H H 16 9.001 8.909 0.092 1
1 101 . 18 1 1 A 16 16 SER HA H 16 3.982 4.118 -0.136 1
1 104 . 18 1 1 A 17 17 ASP H H 17 8.114 7.812 0.302 1
1 105 . 18 1 1 A 17 17 ASP HA H 17 4.524 4.724 -0.200 1
1 108 . 18 1 1 A 18 18 GLY H H 18 8.360 8.152 0.208 1
1 109 . 18 1 1 A 18 18 GLY HA2 H 18 3.698 3.907 -0.209 1
1 110 . 18 1 1 A 18 18 GLY HA3 H 18 4.025 3.907 0.118 1
1 111 . 18 1 1 A 19 19 ARG H H 19 7.439 7.920 -0.481 1
1 112 . 18 1 1 A 19 19 ARG HA H 19 4.398 4.238 0.160 1
1 119 . 18 1 1 A 20 20 THR H H 20 8.292 8.194 0.098 1
1 120 . 18 1 1 A 20 20 THR HA H 20 4.950 4.960 -0.010 1
1 125 . 18 1 1 A 21 21 TYR H H 21 9.153 8.060 1.093 1
1 126 . 18 1 1 A 21 21 TYR HA H 21 4.548 4.954 -0.406 1
1 133 . 18 1 1 A 22 22 ALA H H 22 8.884 8.758 0.126 1
1 134 . 18 1 1 A 22 22 ALA HA H 22 3.858 4.197 -0.339 1
1 138 . 18 1 1 A 23 23 ASN H H 23 7.112 7.900 -0.788 1
1 139 . 18 1 1 A 23 23 ASN HA H 23 4.904 5.315 -0.411 1
1 144 . 18 1 1 A 24 24 SER H H 24 9.338 8.734 0.604 1
1 145 . 18 1 1 A 24 24 SER HA H 24 3.904 4.107 -0.203 1
1 146 . 18 1 1 A 25 25 CYS H H 25 8.018 8.114 -0.096 1
1 147 . 18 1 1 A 25 25 CYS HA H 25 4.224 4.085 0.139 1
1 150 . 18 1 1 A 26 26 ILE H H 26 8.121 7.722 0.399 1
1 151 . 18 1 1 A 26 26 ILE HA H 26 3.555 3.877 -0.322 1
1 158 . 18 1 1 A 27 27 ALA H H 27 7.235 8.194 -0.959 1
1 159 . 18 1 1 A 27 27 ALA HA H 27 2.789 3.326 -0.537 1
1 163 . 18 1 1 A 28 28 ARG H H 28 7.934 8.350 -0.416 1
1 164 . 18 1 1 A 28 28 ARG HA H 28 3.992 3.894 0.098 1
1 172 . 18 1 1 A 29 29 CYS H H 29 8.485 7.616 0.869 1
1 173 . 18 1 1 A 29 29 CYS HA H 29 4.181 4.355 -0.174 1
1 176 . 18 1 1 A 30 30 ASN H H 30 7.464 7.863 -0.399 1
1 177 . 18 1 1 A 30 30 ASN HA H 30 4.667 4.660 0.007 1
1 182 . 18 1 1 A 31 31 GLY H H 31 7.884 8.110 -0.226 1
1 183 . 18 1 1 A 31 31 GLY HA2 H 31 3.738 3.866 -0.128 1
1 184 . 18 1 1 A 31 31 GLY HA3 H 31 3.929 3.871 0.058 1
1 185 . 18 1 1 A 32 32 VAL H H 32 7.270 6.937 0.333 1
1 186 . 18 1 1 A 32 32 VAL HA H 32 4.228 4.749 -0.521 1
1 194 . 18 1 1 A 33 33 SER H H 33 8.048 8.832 -0.784 1
1 195 . 18 1 1 A 33 33 SER HA H 33 4.410 4.973 -0.563 1
1 198 . 18 1 1 A 34 34 ILE H H 34 8.571 8.662 -0.091 1
1 199 . 18 1 1 A 34 34 ILE HA H 34 3.879 4.636 -0.757 1
1 209 . 18 1 1 A 35 35 LYS H H 35 9.176 9.075 0.101 1
1 210 . 18 1 1 A 35 35 LYS HA H 35 4.251 4.426 -0.175 1
1 215 . 18 1 1 A 36 36 SER H H 36 7.744 7.435 0.309 1
1 216 . 18 1 1 A 36 36 SER HA H 36 4.508 4.819 -0.311 1
1 219 . 18 1 1 A 37 37 GLU H H 37 8.612 8.649 -0.037 1
1 220 . 18 1 1 A 37 37 GLU HA H 37 4.314 4.434 -0.120 1
1 225 . 18 1 1 A 38 38 GLY H H 38 8.008 8.499 -0.491 1
1 226 . 18 1 1 A 38 38 GLY HA2 H 38 3.489 4.068 -0.579 1
1 227 . 18 1 1 A 38 38 GLY HA3 H 38 4.234 4.070 0.164 1
1 228 . 18 1 1 A 39 39 SER H H 39 7.780 8.298 -0.518 1
1 229 . 18 1 1 A 39 39 SER HA H 39 4.109 4.441 -0.332 1
1 232 . 18 1 1 A 40 40 CYS H H 40 8.402 8.596 -0.194 1
1 233 . 18 1 1 A 40 40 CYS HA H 40 4.627 5.234 -0.607 1
1 236 . 18 1 1 A 41 41 PRO HA H 41 4.408 4.666 -0.258 1
1 243 . 18 1 1 A 42 42 THR H H 42 8.192 8.388 -0.196 1
1 244 . 18 1 1 A 42 42 THR HA H 42 4.182 4.226 -0.044 1
1 249 . 18 1 1 A 43 43 GLY H H 43 8.302 7.591 0.711 1
1 250 . 18 1 1 A 43 43 GLY HA2 H 43 3.900 4.010 -0.110 1
1 251 . 18 1 1 A 43 43 GLY HA3 H 43 3.900 4.011 -0.111 1
1 2 . 19 1 1 A 2 2 LYS H H 2 8.629 8.370 0.259 1
1 3 . 19 1 1 A 2 2 LYS HA H 2 4.345 4.481 -0.136 1
1 8 . 19 1 1 A 3 3 VAL H H 3 8.359 8.212 0.147 1
1 9 . 19 1 1 A 3 3 VAL HA H 3 4.051 4.728 -0.677 1
1 17 . 19 1 1 A 4 4 CYS H H 4 8.384 8.909 -0.525 1
1 18 . 19 1 1 A 4 4 CYS HA H 4 4.416 5.145 -0.729 1
1 21 . 19 1 1 A 5 5 ALA H H 5 8.373 8.397 -0.024 1
1 22 . 19 1 1 A 5 5 ALA HA H 5 4.400 4.464 -0.064 1
1 26 . 19 1 1 A 6 6 CYS H H 6 8.110 8.095 0.015 1
1 27 . 19 1 1 A 6 6 CYS HA H 6 5.098 5.075 0.023 1
1 30 . 19 1 1 A 7 7 PRO HA H 7 4.427 4.562 -0.135 1
1 37 . 19 1 1 A 8 8 LYS H H 8 8.660 8.780 -0.120 1
1 38 . 19 1 1 A 8 8 LYS HA H 8 4.229 4.214 0.015 1
1 47 . 19 1 1 A 9 9 ILE H H 9 6.860 7.393 -0.533 1
1 48 . 19 1 1 A 9 9 ILE HA H 9 4.076 3.960 0.116 1
1 58 . 19 1 1 A 10 10 LEU H H 10 8.603 8.554 0.049 1
1 59 . 19 1 1 A 10 10 LEU HA H 10 4.618 4.460 0.158 1
1 69 . 19 1 1 A 11 11 LYS H H 11 8.814 8.062 0.752 1
1 70 . 19 1 1 A 11 11 LYS HA H 11 4.533 4.865 -0.332 1
1 77 . 19 1 1 A 12 12 PRO HA H 12 4.570 4.726 -0.156 1
1 84 . 19 1 1 A 13 13 VAL H H 13 8.283 8.441 -0.158 1
1 85 . 19 1 1 A 13 13 VAL HA H 13 4.672 4.833 -0.161 1
1 93 . 19 1 1 A 14 14 CYS H H 14 8.695 8.932 -0.237 1
1 94 . 19 1 1 A 14 14 CYS HA H 14 5.205 5.099 0.106 1
1 97 . 19 1 1 A 15 15 GLY H H 15 9.670 8.951 0.719 1
1 98 . 19 1 1 A 15 15 GLY HA2 H 15 4.754 4.228 0.526 1
1 99 . 19 1 1 A 15 15 GLY HA3 H 15 4.109 4.344 -0.235 1
1 100 . 19 1 1 A 16 16 SER H H 16 9.001 8.935 0.066 1
1 101 . 19 1 1 A 16 16 SER HA H 16 3.982 4.120 -0.138 1
1 104 . 19 1 1 A 17 17 ASP H H 17 8.114 7.892 0.222 1
1 105 . 19 1 1 A 17 17 ASP HA H 17 4.524 4.706 -0.182 1
1 108 . 19 1 1 A 18 18 GLY H H 18 8.360 8.013 0.347 1
1 109 . 19 1 1 A 18 18 GLY HA2 H 18 3.698 3.914 -0.216 1
1 110 . 19 1 1 A 18 18 GLY HA3 H 18 4.025 3.917 0.108 1
1 111 . 19 1 1 A 19 19 ARG H H 19 7.439 7.943 -0.504 1
1 112 . 19 1 1 A 19 19 ARG HA H 19 4.398 4.243 0.155 1
1 119 . 19 1 1 A 20 20 THR H H 20 8.292 8.161 0.131 1
1 120 . 19 1 1 A 20 20 THR HA H 20 4.950 4.960 -0.010 1
1 125 . 19 1 1 A 21 21 TYR H H 21 9.153 8.564 0.589 1
1 126 . 19 1 1 A 21 21 TYR HA H 21 4.548 4.935 -0.387 1
1 133 . 19 1 1 A 22 22 ALA H H 22 8.884 8.753 0.131 1
1 134 . 19 1 1 A 22 22 ALA HA H 22 3.858 4.176 -0.318 1
1 138 . 19 1 1 A 23 23 ASN H H 23 7.112 7.873 -0.761 1
1 139 . 19 1 1 A 23 23 ASN HA H 23 4.904 5.317 -0.413 1
1 144 . 19 1 1 A 24 24 SER H H 24 9.338 8.733 0.605 1
1 145 . 19 1 1 A 24 24 SER HA H 24 3.904 4.106 -0.202 1
1 146 . 19 1 1 A 25 25 CYS H H 25 8.018 8.033 -0.015 1
1 147 . 19 1 1 A 25 25 CYS HA H 25 4.224 4.117 0.107 1
1 150 . 19 1 1 A 26 26 ILE H H 26 8.121 7.934 0.187 1
1 151 . 19 1 1 A 26 26 ILE HA H 26 3.555 3.837 -0.282 1
1 158 . 19 1 1 A 27 27 ALA H H 27 7.235 7.592 -0.357 1
1 159 . 19 1 1 A 27 27 ALA HA H 27 2.789 3.398 -0.609 1
1 163 . 19 1 1 A 28 28 ARG H H 28 7.934 8.368 -0.434 1
1 164 . 19 1 1 A 28 28 ARG HA H 28 3.992 3.937 0.055 1
1 172 . 19 1 1 A 29 29 CYS H H 29 8.485 7.492 0.993 1
1 173 . 19 1 1 A 29 29 CYS HA H 29 4.181 4.402 -0.221 1
1 176 . 19 1 1 A 30 30 ASN H H 30 7.464 7.872 -0.408 1
1 177 . 19 1 1 A 30 30 ASN HA H 30 4.667 4.615 0.052 1
1 182 . 19 1 1 A 31 31 GLY H H 31 7.884 7.791 0.093 1
1 183 . 19 1 1 A 31 31 GLY HA2 H 31 3.738 3.924 -0.186 1
1 184 . 19 1 1 A 31 31 GLY HA3 H 31 3.929 3.929 0.000 1
1 185 . 19 1 1 A 32 32 VAL H H 32 7.270 7.620 -0.350 1
1 186 . 19 1 1 A 32 32 VAL HA H 32 4.228 4.028 0.200 1
1 194 . 19 1 1 A 33 33 SER H H 33 8.048 8.832 -0.784 1
1 195 . 19 1 1 A 33 33 SER HA H 33 4.410 4.365 0.045 1
1 198 . 19 1 1 A 34 34 ILE H H 34 8.571 7.898 0.673 1
1 199 . 19 1 1 A 34 34 ILE HA H 34 3.879 3.835 0.044 1
1 209 . 19 1 1 A 35 35 LYS H H 35 9.176 7.796 1.380 1
1 210 . 19 1 1 A 35 35 LYS HA H 35 4.251 4.187 0.064 1
1 215 . 19 1 1 A 36 36 SER H H 36 7.744 7.650 0.094 1
1 216 . 19 1 1 A 36 36 SER HA H 36 4.508 4.639 -0.131 1
1 219 . 19 1 1 A 37 37 GLU H H 37 8.612 8.666 -0.054 1
1 220 . 19 1 1 A 37 37 GLU HA H 37 4.314 4.526 -0.212 1
1 225 . 19 1 1 A 38 38 GLY H H 38 8.008 8.546 -0.538 1
1 226 . 19 1 1 A 38 38 GLY HA2 H 38 3.489 4.076 -0.587 1
1 227 . 19 1 1 A 38 38 GLY HA3 H 38 4.234 4.078 0.156 1
1 228 . 19 1 1 A 39 39 SER H H 39 7.780 8.307 -0.527 1
1 229 . 19 1 1 A 39 39 SER HA H 39 4.109 4.446 -0.337 1
1 232 . 19 1 1 A 40 40 CYS H H 40 8.402 8.348 0.054 1
1 233 . 19 1 1 A 40 40 CYS HA H 40 4.627 4.719 -0.092 1
1 236 . 19 1 1 A 41 41 PRO HA H 41 4.408 4.730 -0.322 1
1 243 . 19 1 1 A 42 42 THR H H 42 8.192 8.001 0.191 1
1 244 . 19 1 1 A 42 42 THR HA H 42 4.182 4.172 0.010 1
1 249 . 19 1 1 A 43 43 GLY H H 43 8.302 8.114 0.188 1
1 250 . 19 1 1 A 43 43 GLY HA2 H 43 3.900 3.908 -0.008 1
1 251 . 19 1 1 A 43 43 GLY HA3 H 43 3.900 3.909 -0.009 1
1 2 . 20 1 1 A 2 2 LYS H H 2 8.629 8.721 -0.092 1
1 3 . 20 1 1 A 2 2 LYS HA H 2 4.345 5.062 -0.717 1
1 8 . 20 1 1 A 3 3 VAL H H 3 8.359 8.892 -0.533 1
1 9 . 20 1 1 A 3 3 VAL HA H 3 4.051 4.915 -0.864 1
1 17 . 20 1 1 A 4 4 CYS H H 4 8.384 8.554 -0.170 1
1 18 . 20 1 1 A 4 4 CYS HA H 4 4.416 4.626 -0.210 1
1 21 . 20 1 1 A 5 5 ALA H H 5 8.373 8.323 0.050 1
1 22 . 20 1 1 A 5 5 ALA HA H 5 4.400 4.320 0.080 1
1 26 . 20 1 1 A 6 6 CYS H H 6 8.110 8.796 -0.686 1
1 27 . 20 1 1 A 6 6 CYS HA H 6 5.098 5.033 0.065 1
1 30 . 20 1 1 A 7 7 PRO HA H 7 4.427 4.522 -0.095 1
1 37 . 20 1 1 A 8 8 LYS H H 8 8.660 8.759 -0.099 1
1 38 . 20 1 1 A 8 8 LYS HA H 8 4.229 4.116 0.113 1
1 47 . 20 1 1 A 9 9 ILE H H 9 6.860 7.432 -0.572 1
1 48 . 20 1 1 A 9 9 ILE HA H 9 4.076 3.984 0.092 1
1 58 . 20 1 1 A 10 10 LEU H H 10 8.603 8.606 -0.003 1
1 59 . 20 1 1 A 10 10 LEU HA H 10 4.618 4.686 -0.068 1
1 69 . 20 1 1 A 11 11 LYS H H 11 8.814 7.917 0.897 1
1 70 . 20 1 1 A 11 11 LYS HA H 11 4.533 4.764 -0.231 1
1 77 . 20 1 1 A 12 12 PRO HA H 12 4.570 4.772 -0.202 1
1 84 . 20 1 1 A 13 13 VAL H H 13 8.283 8.334 -0.051 1
1 85 . 20 1 1 A 13 13 VAL HA H 13 4.672 4.744 -0.072 1
1 93 . 20 1 1 A 14 14 CYS H H 14 8.695 8.872 -0.177 1
1 94 . 20 1 1 A 14 14 CYS HA H 14 5.205 4.908 0.297 1
1 97 . 20 1 1 A 15 15 GLY H H 15 9.670 8.875 0.795 1
1 98 . 20 1 1 A 15 15 GLY HA2 H 15 4.754 4.269 0.485 1
1 99 . 20 1 1 A 15 15 GLY HA3 H 15 4.109 4.372 -0.263 1
1 100 . 20 1 1 A 16 16 SER H H 16 9.001 9.068 -0.067 1
1 101 . 20 1 1 A 16 16 SER HA H 16 3.982 4.168 -0.186 1
1 104 . 20 1 1 A 17 17 ASP H H 17 8.114 7.890 0.224 1
1 105 . 20 1 1 A 17 17 ASP HA H 17 4.524 4.689 -0.165 1
1 108 . 20 1 1 A 18 18 GLY H H 18 8.360 7.793 0.567 1
1 109 . 20 1 1 A 18 18 GLY HA2 H 18 3.698 3.919 -0.221 1
1 110 . 20 1 1 A 18 18 GLY HA3 H 18 4.025 3.919 0.106 1
1 111 . 20 1 1 A 19 19 ARG H H 19 7.439 7.914 -0.475 1
1 112 . 20 1 1 A 19 19 ARG HA H 19 4.398 4.231 0.167 1
1 119 . 20 1 1 A 20 20 THR H H 20 8.292 8.290 0.002 1
1 120 . 20 1 1 A 20 20 THR HA H 20 4.950 4.891 0.059 1
1 125 . 20 1 1 A 21 21 TYR H H 21 9.153 7.687 1.466 1
1 126 . 20 1 1 A 21 21 TYR HA H 21 4.548 4.948 -0.400 1
1 133 . 20 1 1 A 22 22 ALA H H 22 8.884 8.703 0.181 1
1 134 . 20 1 1 A 22 22 ALA HA H 22 3.858 4.187 -0.329 1
1 138 . 20 1 1 A 23 23 ASN H H 23 7.112 7.822 -0.710 1
1 139 . 20 1 1 A 23 23 ASN HA H 23 4.904 5.320 -0.416 1
1 144 . 20 1 1 A 24 24 SER H H 24 9.338 8.733 0.605 1
1 145 . 20 1 1 A 24 24 SER HA H 24 3.904 4.124 -0.220 1
1 146 . 20 1 1 A 25 25 CYS H H 25 8.018 8.008 0.010 1
1 147 . 20 1 1 A 25 25 CYS HA H 25 4.224 4.230 -0.006 1
1 150 . 20 1 1 A 26 26 ILE H H 26 8.121 7.881 0.240 1
1 151 . 20 1 1 A 26 26 ILE HA H 26 3.555 3.849 -0.294 1
1 158 . 20 1 1 A 27 27 ALA H H 27 7.235 8.285 -1.050 1
1 159 . 20 1 1 A 27 27 ALA HA H 27 2.789 3.363 -0.574 1
1 163 . 20 1 1 A 28 28 ARG H H 28 7.934 8.180 -0.246 1
1 164 . 20 1 1 A 28 28 ARG HA H 28 3.992 4.011 -0.019 1
1 172 . 20 1 1 A 29 29 CYS H H 29 8.485 7.854 0.631 1
1 173 . 20 1 1 A 29 29 CYS HA H 29 4.181 4.415 -0.234 1
1 176 . 20 1 1 A 30 30 ASN H H 30 7.464 7.727 -0.263 1
1 177 . 20 1 1 A 30 30 ASN HA H 30 4.667 4.654 0.013 1
1 182 . 20 1 1 A 31 31 GLY H H 31 7.884 8.589 -0.705 1
1 183 . 20 1 1 A 31 31 GLY HA2 H 31 3.738 3.866 -0.128 1
1 184 . 20 1 1 A 31 31 GLY HA3 H 31 3.929 3.870 0.059 1
1 185 . 20 1 1 A 32 32 VAL H H 32 7.270 7.422 -0.152 1
1 186 . 20 1 1 A 32 32 VAL HA H 32 4.228 4.787 -0.559 1
1 194 . 20 1 1 A 33 33 SER H H 33 8.048 9.051 -1.003 1
1 195 . 20 1 1 A 33 33 SER HA H 33 4.410 5.359 -0.949 1
1 198 . 20 1 1 A 34 34 ILE H H 34 8.571 8.524 0.047 1
1 199 . 20 1 1 A 34 34 ILE HA H 34 3.879 4.775 -0.896 1
1 209 . 20 1 1 A 35 35 LYS H H 35 9.176 9.171 0.005 1
1 210 . 20 1 1 A 35 35 LYS HA H 35 4.251 4.500 -0.249 1
1 215 . 20 1 1 A 36 36 SER H H 36 7.744 7.253 0.491 1
1 216 . 20 1 1 A 36 36 SER HA H 36 4.508 4.658 -0.150 1
1 219 . 20 1 1 A 37 37 GLU H H 37 8.612 8.582 0.030 1
1 220 . 20 1 1 A 37 37 GLU HA H 37 4.314 4.419 -0.105 1
1 225 . 20 1 1 A 38 38 GLY H H 38 8.008 8.557 -0.549 1
1 226 . 20 1 1 A 38 38 GLY HA2 H 38 3.489 4.049 -0.560 1
1 227 . 20 1 1 A 38 38 GLY HA3 H 38 4.234 4.051 0.183 1
1 228 . 20 1 1 A 39 39 SER H H 39 7.780 8.267 -0.487 1
1 229 . 20 1 1 A 39 39 SER HA H 39 4.109 4.398 -0.289 1
1 232 . 20 1 1 A 40 40 CYS H H 40 8.402 8.473 -0.071 1
1 233 . 20 1 1 A 40 40 CYS HA H 40 4.627 4.780 -0.153 1
1 236 . 20 1 1 A 41 41 PRO HA H 41 4.408 4.336 0.072 1
1 243 . 20 1 1 A 42 42 THR H H 42 8.192 8.419 -0.227 1
1 244 . 20 1 1 A 42 42 THR HA H 42 4.182 3.933 0.249 1
1 249 . 20 1 1 A 43 43 GLY H H 43 8.302 7.940 0.362 1
1 250 . 20 1 1 A 43 43 GLY HA2 H 43 3.900 3.665 0.235 1
1 251 . 20 1 1 A 43 43 GLY HA3 H 43 3.900 3.672 0.228 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 0.501 1
5 1 1 1 "RMS(OBS, PRED)" HA 47 0.274 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 0.452 1
11 1 2 1 "RMS(OBS, PRED)" HA 47 0.301 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 0.465 1
17 1 3 1 "RMS(OBS, PRED)" HA 47 0.283 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 0.497 1
23 1 4 1 "RMS(OBS, PRED)" HA 47 0.325 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 0.501 1
29 1 5 1 "RMS(OBS, PRED)" HA 47 0.289 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 0.496 1
35 1 6 1 "RMS(OBS, PRED)" HA 47 0.287 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 0.467 1
41 1 7 1 "RMS(OBS, PRED)" HA 47 0.277 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 0.467 1
47 1 8 1 "RMS(OBS, PRED)" HA 47 0.324 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 0.501 1
53 1 9 1 "RMS(OBS, PRED)" HA 47 0.319 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 0.540 1
59 1 10 1 "RMS(OBS, PRED)" HA 47 0.309 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 0.485 1
65 1 11 1 "RMS(OBS, PRED)" HA 47 0.297 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 0.502 1
71 1 12 1 "RMS(OBS, PRED)" HA 47 0.294 1
72 1 12 1 "RMS(OBS, PRED)" N 0 0.000 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 0 0.000 1
75 1 13 1 "RMS(OBS, PRED)" CB 0 0.000 1
76 1 13 1 "RMS(OBS, PRED)" H 39 0.483 1
77 1 13 1 "RMS(OBS, PRED)" HA 47 0.306 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 0.524 1
83 1 14 1 "RMS(OBS, PRED)" HA 47 0.316 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 0.469 1
89 1 15 1 "RMS(OBS, PRED)" HA 47 0.301 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 0.415 1
95 1 16 1 "RMS(OBS, PRED)" HA 47 0.306 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 0.479 1
101 1 17 1 "RMS(OBS, PRED)" HA 47 0.271 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 0.523 1
107 1 18 1 "RMS(OBS, PRED)" HA 47 0.302 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 0.482 1
113 1 19 1 "RMS(OBS, PRED)" HA 47 0.267 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 0.524 1
119 1 20 1 "RMS(OBS, PRED)" HA 47 0.348 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 8.629 8.263 0.366 2
1 3 . 1 1 A 2 2 LYS HA H 2 4.345 4.701 -0.356 2
1 8 . 1 1 A 3 3 VAL H H 3 8.359 8.509 -0.150 2
1 9 . 1 1 A 3 3 VAL HA H 3 4.051 4.347 -0.296 2
1 17 . 1 1 A 4 4 CYS H H 4 8.384 8.432 -0.048 2
1 18 . 1 1 A 4 4 CYS HA H 4 4.416 4.733 -0.317 2
1 21 . 1 1 A 5 5 ALA H H 5 8.373 8.346 0.027 2
1 22 . 1 1 A 5 5 ALA HA H 5 4.400 4.413 -0.013 2
1 26 . 1 1 A 6 6 CYS H H 6 8.110 8.453 -0.343 2
1 27 . 1 1 A 6 6 CYS HA H 6 5.098 5.080 0.018 2
1 30 . 1 1 A 7 7 PRO HA H 7 4.427 4.610 -0.183 2
1 37 . 1 1 A 8 8 LYS H H 8 8.660 8.813 -0.153 2
1 38 . 1 1 A 8 8 LYS HA H 8 4.229 4.182 0.047 2
1 47 . 1 1 A 9 9 ILE H H 9 6.860 7.365 -0.505 2
1 48 . 1 1 A 9 9 ILE HA H 9 4.076 4.038 0.038 2
1 58 . 1 1 A 10 10 LEU H H 10 8.603 8.701 -0.098 2
1 59 . 1 1 A 10 10 LEU HA H 10 4.618 4.580 0.038 2
1 69 . 1 1 A 11 11 LYS H H 11 8.814 8.006 0.808 2
1 70 . 1 1 A 11 11 LYS HA H 11 4.533 4.890 -0.357 2
1 77 . 1 1 A 12 12 PRO HA H 12 4.570 4.835 -0.265 2
1 84 . 1 1 A 13 13 VAL H H 13 8.283 8.321 -0.038 2
1 85 . 1 1 A 13 13 VAL HA H 13 4.672 4.796 -0.124 2
1 93 . 1 1 A 14 14 CYS H H 14 8.695 8.959 -0.264 2
1 94 . 1 1 A 14 14 CYS HA H 14 5.205 5.113 0.092 2
1 97 . 1 1 A 15 15 GLY H H 15 9.670 8.935 0.735 2
1 98 . 1 1 A 15 15 GLY HA2 H 15 4.754 4.245 0.509 2
1 99 . 1 1 A 15 15 GLY HA3 H 15 4.109 4.346 -0.237 2
1 100 . 1 1 A 16 16 SER H H 16 9.001 9.099 -0.098 2
1 101 . 1 1 A 16 16 SER HA H 16 3.982 4.170 -0.188 2
1 104 . 1 1 A 17 17 ASP H H 17 8.114 7.930 0.184 2
1 105 . 1 1 A 17 17 ASP HA H 17 4.524 4.703 -0.179 2
1 108 . 1 1 A 18 18 GLY H H 18 8.360 8.085 0.275 2
1 109 . 1 1 A 18 18 GLY HA2 H 18 3.698 3.921 -0.223 2
1 110 . 1 1 A 18 18 GLY HA3 H 18 4.025 3.925 0.100 2
1 111 . 1 1 A 19 19 ARG H H 19 7.439 7.932 -0.493 2
1 112 . 1 1 A 19 19 ARG HA H 19 4.398 4.237 0.161 2
1 119 . 1 1 A 20 20 THR H H 20 8.292 8.221 0.071 2
1 120 . 1 1 A 20 20 THR HA H 20 4.950 4.983 -0.033 2
1 125 . 1 1 A 21 21 TYR H H 21 9.153 8.287 0.866 2
1 126 . 1 1 A 21 21 TYR HA H 21 4.548 4.941 -0.393 2
1 133 . 1 1 A 22 22 ALA H H 22 8.884 8.743 0.141 2
1 134 . 1 1 A 22 22 ALA HA H 22 3.858 4.198 -0.340 2
1 138 . 1 1 A 23 23 ASN H H 23 7.112 7.856 -0.744 2
1 139 . 1 1 A 23 23 ASN HA H 23 4.904 5.305 -0.401 2
1 144 . 1 1 A 24 24 SER H H 24 9.338 8.778 0.560 2
1 145 . 1 1 A 24 24 SER HA H 24 3.904 4.111 -0.207 2
1 146 . 1 1 A 25 25 CYS H H 25 8.018 8.062 -0.044 2
1 147 . 1 1 A 25 25 CYS HA H 25 4.224 4.208 0.016 2
1 150 . 1 1 A 26 26 ILE H H 26 8.121 7.860 0.261 2
1 151 . 1 1 A 26 26 ILE HA H 26 3.555 3.860 -0.305 2
1 158 . 1 1 A 27 27 ALA H H 27 7.235 8.088 -0.853 2
1 159 . 1 1 A 27 27 ALA HA H 27 2.789 3.278 -0.489 2
1 163 . 1 1 A 28 28 ARG H H 28 7.934 8.255 -0.321 2
1 164 . 1 1 A 28 28 ARG HA H 28 3.992 3.946 0.046 2
1 172 . 1 1 A 29 29 CYS H H 29 8.485 7.652 0.833 2
1 173 . 1 1 A 29 29 CYS HA H 29 4.181 4.363 -0.182 2
1 176 . 1 1 A 30 30 ASN H H 30 7.464 7.939 -0.475 2
1 177 . 1 1 A 30 30 ASN HA H 30 4.667 4.667 -0.000 2
1 182 . 1 1 A 31 31 GLY H H 31 7.884 8.217 -0.333 2
1 183 . 1 1 A 31 31 GLY HA2 H 31 3.738 3.880 -0.142 2
1 184 . 1 1 A 31 31 GLY HA3 H 31 3.929 3.887 0.042 2
1 185 . 1 1 A 32 32 VAL H H 32 7.270 7.112 0.158 2
1 186 . 1 1 A 32 32 VAL HA H 32 4.228 4.672 -0.444 2
1 194 . 1 1 A 33 33 SER H H 33 8.048 8.797 -0.749 2
1 195 . 1 1 A 33 33 SER HA H 33 4.410 4.825 -0.415 2
1 198 . 1 1 A 34 34 ILE H H 34 8.571 8.540 0.031 2
1 199 . 1 1 A 34 34 ILE HA H 34 3.879 4.685 -0.806 2
1 209 . 1 1 A 35 35 LYS H H 35 9.176 9.170 0.006 2
1 210 . 1 1 A 35 35 LYS HA H 35 4.251 4.386 -0.135 2
1 215 . 1 1 A 36 36 SER H H 36 7.744 7.338 0.406 2
1 216 . 1 1 A 36 36 SER HA H 36 4.508 4.684 -0.176 2
1 219 . 1 1 A 37 37 GLU H H 37 8.612 8.643 -0.031 2
1 220 . 1 1 A 37 37 GLU HA H 37 4.314 4.445 -0.131 2
1 225 . 1 1 A 38 38 GLY H H 38 8.008 8.499 -0.491 2
1 226 . 1 1 A 38 38 GLY HA2 H 38 3.489 4.066 -0.577 2
1 227 . 1 1 A 38 38 GLY HA3 H 38 4.234 4.068 0.166 2
1 228 . 1 1 A 39 39 SER H H 39 7.780 8.370 -0.590 2
1 229 . 1 1 A 39 39 SER HA H 39 4.109 4.420 -0.311 2
1 232 . 1 1 A 40 40 CYS H H 40 8.402 8.467 -0.065 2
1 233 . 1 1 A 40 40 CYS HA H 40 4.627 4.795 -0.169 2
1 236 . 1 1 A 41 41 PRO HA H 41 4.408 4.648 -0.240 2
1 243 . 1 1 A 42 42 THR H H 42 8.192 8.546 -0.354 2
1 244 . 1 1 A 42 42 THR HA H 42 4.182 4.290 -0.108 2
1 249 . 1 1 A 43 43 GLY H H 43 8.302 7.732 0.570 2
1 250 . 1 1 A 43 43 GLY HA2 H 43 3.900 4.000 -0.100 2
1 251 . 1 1 A 43 43 GLY HA3 H 43 3.900 4.001 -0.101 2
stop_
save_