data_16268_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16268
_Entry.PDB_ID 2KI9
_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 15
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 4 . 1 1 1 A 2 2 VAL H H 2 8.686 8.410 0.276 1
1 5 . 1 1 1 A 2 2 VAL HA H 2 4.058 4.112 -0.054 1
1 13 . 1 1 1 A 3 3 ARG H H 3 8.102 8.055 0.047 1
1 14 . 1 1 1 A 3 3 ARG HA H 3 4.060 4.126 -0.066 1
1 22 . 1 1 1 A 4 4 LEU H H 4 7.956 7.567 0.389 1
1 23 . 1 1 1 A 4 4 LEU HA H 4 4.211 4.683 -0.472 1
1 32 . 1 1 1 A 5 5 ALA H H 5 7.815 8.276 -0.461 1
1 33 . 1 1 1 A 5 5 ALA HA H 5 4.080 4.908 -0.828 1
1 37 . 1 1 1 A 6 6 LYS H H 6 8.331 8.140 0.191 1
1 38 . 1 1 1 A 6 6 LYS HA H 6 4.148 4.492 -0.344 1
1 47 . 1 1 1 A 7 7 THR H H 7 7.897 8.110 -0.213 1
1 48 . 1 1 1 A 7 7 THR HA H 7 4.397 3.907 0.490 1
1 53 . 1 1 1 A 8 8 LEU H H 8 8.449 8.535 -0.086 1
1 63 . 1 1 1 A 9 9 GLY H H 9 8.015 8.286 -0.271 1
1 64 . 1 1 1 A 9 9 GLY HA2 H 9 3.819 3.737 0.082 1
1 65 . 1 1 1 A 9 9 GLY HA3 H 9 3.874 3.738 0.136 1
1 66 . 1 1 1 A 10 10 LEU H H 10 7.608 9.073 -1.465 1
1 67 . 1 1 1 A 10 10 LEU HA H 10 4.306 3.991 0.315 1
1 76 . 1 1 1 A 11 11 VAL H H 11 7.919 7.962 -0.043 1
1 77 . 1 1 1 A 11 11 VAL HA H 11 3.583 3.509 0.074 1
1 85 . 1 1 1 A 12 12 LEU H H 12 8.284 9.571 -1.287 1
1 86 . 1 1 1 A 12 12 LEU HA H 12 4.097 3.850 0.247 1
1 95 . 1 1 1 A 13 13 ALA H H 13 7.639 9.015 -1.376 1
1 96 . 1 1 1 A 13 13 ALA HA H 13 4.094 4.022 0.072 1
1 100 . 1 1 1 A 14 14 VAL H H 14 8.068 8.156 -0.088 1
1 101 . 1 1 1 A 14 14 VAL HA H 14 3.680 3.608 0.072 1
1 109 . 1 1 1 A 15 15 LEU H H 15 8.389 9.549 -1.160 1
1 110 . 1 1 1 A 15 15 LEU HA H 15 4.111 3.478 0.633 1
1 120 . 1 1 1 A 16 16 LEU H H 16 8.354 8.105 0.249 1
1 121 . 1 1 1 A 16 16 LEU HA H 16 4.210 4.073 0.137 1
1 131 . 1 1 1 A 17 17 ILE H H 17 8.214 7.933 0.281 1
1 132 . 1 1 1 A 17 17 ILE HA H 17 3.908 4.166 -0.258 1
1 142 . 1 1 1 A 18 18 CYS H H 18 8.246 7.088 1.158 1
1 143 . 1 1 1 A 18 18 CYS HA H 18 4.289 4.042 0.247 1
1 146 . 1 1 1 A 19 19 TRP H H 19 8.284 7.990 0.294 1
1 147 . 1 1 1 A 19 19 TRP HA H 19 4.872 3.730 1.142 1
1 156 . 1 1 1 A 20 20 PHE H H 20 8.548 8.557 -0.009 1
1 157 . 1 1 1 A 20 20 PHE HA H 20 4.513 4.866 -0.353 1
1 164 . 1 1 1 A 21 21 PRO HA H 21 4.215 4.399 -0.184 1
1 171 . 1 1 1 A 22 22 VAL H H 22 7.204 7.171 0.033 1
1 172 . 1 1 1 A 22 22 VAL HA H 22 3.738 3.625 0.113 1
1 180 . 1 1 1 A 23 23 LEU H H 23 7.848 8.090 -0.242 1
1 181 . 1 1 1 A 23 23 LEU HA H 23 4.023 4.338 -0.315 1
1 191 . 1 1 1 A 24 24 ALA H H 24 8.296 8.496 -0.200 1
1 192 . 1 1 1 A 24 24 ALA HA H 24 3.964 4.105 -0.141 1
1 196 . 1 1 1 A 25 25 LEU H H 25 7.768 7.711 0.057 1
1 197 . 1 1 1 A 25 25 LEU HA H 25 4.160 3.964 0.196 1
1 206 . 1 1 1 A 26 26 MET H H 26 8.440 10.181 -1.741 1
1 207 . 1 1 1 A 26 26 MET HA H 26 4.152 4.046 0.106 1
1 212 . 1 1 1 A 27 27 ALA H H 27 8.297 8.674 -0.377 1
1 213 . 1 1 1 A 27 27 ALA HA H 27 4.183 4.199 -0.016 1
1 217 . 1 1 1 A 28 28 HIS H H 28 7.753 9.627 -1.874 1
1 218 . 1 1 1 A 28 28 HIS HA H 28 4.716 4.871 -0.155 1
1 223 . 1 1 1 A 29 29 SER H H 29 7.834 10.426 -2.592 1
1 224 . 1 1 1 A 29 29 SER HA H 29 4.599 4.130 0.469 1
1 227 . 1 1 1 A 30 30 LEU H H 30 8.548 7.677 0.871 1
1 228 . 1 1 1 A 30 30 LEU HA H 30 3.890 4.113 -0.223 1
1 238 . 1 1 1 A 31 31 ALA H H 31 8.494 7.665 0.829 1
1 239 . 1 1 1 A 31 31 ALA HA H 31 3.967 4.049 -0.082 1
1 4 . 2 1 1 A 2 2 VAL H H 2 8.686 8.859 -0.173 1
1 5 . 2 1 1 A 2 2 VAL HA H 2 4.058 4.301 -0.243 1
1 13 . 2 1 1 A 3 3 ARG H H 3 8.102 7.799 0.303 1
1 14 . 2 1 1 A 3 3 ARG HA H 3 4.060 4.859 -0.799 1
1 22 . 2 1 1 A 4 4 LEU H H 4 7.956 8.648 -0.692 1
1 23 . 2 1 1 A 4 4 LEU HA H 4 4.211 4.198 0.013 1
1 32 . 2 1 1 A 5 5 ALA H H 5 7.815 9.582 -1.767 1
1 33 . 2 1 1 A 5 5 ALA HA H 5 4.080 3.955 0.125 1
1 37 . 2 1 1 A 6 6 LYS H H 6 8.331 8.345 -0.014 1
1 38 . 2 1 1 A 6 6 LYS HA H 6 4.148 4.066 0.082 1
1 47 . 2 1 1 A 7 7 THR H H 7 7.897 8.517 -0.620 1
1 48 . 2 1 1 A 7 7 THR HA H 7 4.397 3.994 0.403 1
1 53 . 2 1 1 A 8 8 LEU H H 8 8.449 8.222 0.227 1
1 63 . 2 1 1 A 9 9 GLY H H 9 8.015 9.961 -1.946 1
1 64 . 2 1 1 A 9 9 GLY HA2 H 9 3.819 3.756 0.063 1
1 65 . 2 1 1 A 9 9 GLY HA3 H 9 3.874 3.757 0.117 1
1 66 . 2 1 1 A 10 10 LEU H H 10 7.608 8.081 -0.473 1
1 67 . 2 1 1 A 10 10 LEU HA H 10 4.306 4.002 0.304 1
1 76 . 2 1 1 A 11 11 VAL H H 11 7.919 7.526 0.393 1
1 77 . 2 1 1 A 11 11 VAL HA H 11 3.583 3.515 0.068 1
1 85 . 2 1 1 A 12 12 LEU H H 12 8.284 9.166 -0.882 1
1 86 . 2 1 1 A 12 12 LEU HA H 12 4.097 3.961 0.136 1
1 95 . 2 1 1 A 13 13 ALA H H 13 7.639 9.270 -1.631 1
1 96 . 2 1 1 A 13 13 ALA HA H 13 4.094 3.966 0.128 1
1 100 . 2 1 1 A 14 14 VAL H H 14 8.068 8.702 -0.634 1
1 101 . 2 1 1 A 14 14 VAL HA H 14 3.680 3.579 0.101 1
1 109 . 2 1 1 A 15 15 LEU H H 15 8.389 8.772 -0.383 1
1 110 . 2 1 1 A 15 15 LEU HA H 15 4.111 3.618 0.493 1
1 120 . 2 1 1 A 16 16 LEU H H 16 8.354 8.191 0.163 1
1 121 . 2 1 1 A 16 16 LEU HA H 16 4.210 4.216 -0.006 1
1 131 . 2 1 1 A 17 17 ILE H H 17 8.214 7.318 0.896 1
1 132 . 2 1 1 A 17 17 ILE HA H 17 3.908 4.062 -0.154 1
1 142 . 2 1 1 A 18 18 CYS H H 18 8.246 6.901 1.345 1
1 143 . 2 1 1 A 18 18 CYS HA H 18 4.289 4.124 0.165 1
1 146 . 2 1 1 A 19 19 TRP H H 19 8.284 7.574 0.710 1
1 147 . 2 1 1 A 19 19 TRP HA H 19 4.872 4.357 0.515 1
1 156 . 2 1 1 A 20 20 PHE H H 20 8.548 8.546 0.002 1
1 157 . 2 1 1 A 20 20 PHE HA H 20 4.513 4.855 -0.342 1
1 164 . 2 1 1 A 21 21 PRO HA H 21 4.215 4.331 -0.116 1
1 171 . 2 1 1 A 22 22 VAL H H 22 7.204 7.217 -0.013 1
1 172 . 2 1 1 A 22 22 VAL HA H 22 3.738 3.754 -0.016 1
1 180 . 2 1 1 A 23 23 LEU H H 23 7.848 7.965 -0.117 1
1 181 . 2 1 1 A 23 23 LEU HA H 23 4.023 4.192 -0.169 1
1 191 . 2 1 1 A 24 24 ALA H H 24 8.296 8.420 -0.124 1
1 192 . 2 1 1 A 24 24 ALA HA H 24 3.964 4.253 -0.289 1
1 196 . 2 1 1 A 25 25 LEU H H 25 7.768 8.250 -0.482 1
1 197 . 2 1 1 A 25 25 LEU HA H 25 4.160 3.910 0.250 1
1 206 . 2 1 1 A 26 26 MET H H 26 8.440 9.918 -1.478 1
1 207 . 2 1 1 A 26 26 MET HA H 26 4.152 4.242 -0.090 1
1 212 . 2 1 1 A 27 27 ALA H H 27 8.297 8.803 -0.506 1
1 213 . 2 1 1 A 27 27 ALA HA H 27 4.183 4.182 0.001 1
1 217 . 2 1 1 A 28 28 HIS H H 28 7.753 8.932 -1.179 1
1 218 . 2 1 1 A 28 28 HIS HA H 28 4.716 4.546 0.170 1
1 223 . 2 1 1 A 29 29 SER H H 29 7.834 8.321 -0.487 1
1 224 . 2 1 1 A 29 29 SER HA H 29 4.599 4.150 0.449 1
1 227 . 2 1 1 A 30 30 LEU H H 30 8.548 9.421 -0.873 1
1 228 . 2 1 1 A 30 30 LEU HA H 30 3.890 4.074 -0.184 1
1 238 . 2 1 1 A 31 31 ALA H H 31 8.494 7.836 0.658 1
1 239 . 2 1 1 A 31 31 ALA HA H 31 3.967 4.046 -0.079 1
1 4 . 3 1 1 A 2 2 VAL H H 2 8.686 8.067 0.619 1
1 5 . 3 1 1 A 2 2 VAL HA H 2 4.058 4.287 -0.229 1
1 13 . 3 1 1 A 3 3 ARG H H 3 8.102 8.981 -0.879 1
1 14 . 3 1 1 A 3 3 ARG HA H 3 4.060 4.508 -0.448 1
1 22 . 3 1 1 A 4 4 LEU H H 4 7.956 7.455 0.501 1
1 23 . 3 1 1 A 4 4 LEU HA H 4 4.211 4.817 -0.606 1
1 32 . 3 1 1 A 5 5 ALA H H 5 7.815 8.784 -0.969 1
1 33 . 3 1 1 A 5 5 ALA HA H 5 4.080 3.930 0.150 1
1 37 . 3 1 1 A 6 6 LYS H H 6 8.331 7.694 0.637 1
1 38 . 3 1 1 A 6 6 LYS HA H 6 4.148 4.029 0.119 1
1 47 . 3 1 1 A 7 7 THR H H 7 7.897 7.800 0.097 1
1 48 . 3 1 1 A 7 7 THR HA H 7 4.397 3.980 0.417 1
1 53 . 3 1 1 A 8 8 LEU H H 8 8.449 8.326 0.123 1
1 63 . 3 1 1 A 9 9 GLY H H 9 8.015 9.522 -1.507 1
1 64 . 3 1 1 A 9 9 GLY HA2 H 9 3.819 3.744 0.075 1
1 65 . 3 1 1 A 9 9 GLY HA3 H 9 3.874 3.744 0.130 1
1 66 . 3 1 1 A 10 10 LEU H H 10 7.608 9.002 -1.394 1
1 67 . 3 1 1 A 10 10 LEU HA H 10 4.306 3.996 0.310 1
1 76 . 3 1 1 A 11 11 VAL H H 11 7.919 8.307 -0.388 1
1 77 . 3 1 1 A 11 11 VAL HA H 11 3.583 3.508 0.075 1
1 85 . 3 1 1 A 12 12 LEU H H 12 8.284 9.562 -1.278 1
1 86 . 3 1 1 A 12 12 LEU HA H 12 4.097 3.902 0.195 1
1 95 . 3 1 1 A 13 13 ALA H H 13 7.639 9.219 -1.580 1
1 96 . 3 1 1 A 13 13 ALA HA H 13 4.094 3.958 0.136 1
1 100 . 3 1 1 A 14 14 VAL H H 14 8.068 8.494 -0.426 1
1 101 . 3 1 1 A 14 14 VAL HA H 14 3.680 3.514 0.166 1
1 109 . 3 1 1 A 15 15 LEU H H 15 8.389 9.422 -1.033 1
1 110 . 3 1 1 A 15 15 LEU HA H 15 4.111 3.545 0.566 1
1 120 . 3 1 1 A 16 16 LEU H H 16 8.354 8.919 -0.565 1
1 121 . 3 1 1 A 16 16 LEU HA H 16 4.210 4.221 -0.011 1
1 131 . 3 1 1 A 17 17 ILE H H 17 8.214 8.041 0.173 1
1 132 . 3 1 1 A 17 17 ILE HA H 17 3.908 4.184 -0.276 1
1 142 . 3 1 1 A 18 18 CYS H H 18 8.246 7.311 0.935 1
1 143 . 3 1 1 A 18 18 CYS HA H 18 4.289 3.967 0.322 1
1 146 . 3 1 1 A 19 19 TRP H H 19 8.284 8.504 -0.220 1
1 147 . 3 1 1 A 19 19 TRP HA H 19 4.872 3.638 1.234 1
1 156 . 3 1 1 A 20 20 PHE H H 20 8.548 8.428 0.120 1
1 157 . 3 1 1 A 20 20 PHE HA H 20 4.513 4.818 -0.305 1
1 164 . 3 1 1 A 21 21 PRO HA H 21 4.215 4.372 -0.157 1
1 171 . 3 1 1 A 22 22 VAL H H 22 7.204 7.280 -0.076 1
1 172 . 3 1 1 A 22 22 VAL HA H 22 3.738 3.712 0.026 1
1 180 . 3 1 1 A 23 23 LEU H H 23 7.848 7.862 -0.014 1
1 181 . 3 1 1 A 23 23 LEU HA H 23 4.023 4.318 -0.295 1
1 191 . 3 1 1 A 24 24 ALA H H 24 8.296 8.257 0.039 1
1 192 . 3 1 1 A 24 24 ALA HA H 24 3.964 4.064 -0.100 1
1 196 . 3 1 1 A 25 25 LEU H H 25 7.768 7.744 0.024 1
1 197 . 3 1 1 A 25 25 LEU HA H 25 4.160 4.169 -0.009 1
1 206 . 3 1 1 A 26 26 MET H H 26 8.440 10.415 -1.975 1
1 207 . 3 1 1 A 26 26 MET HA H 26 4.152 4.126 0.026 1
1 212 . 3 1 1 A 27 27 ALA H H 27 8.297 8.448 -0.151 1
1 213 . 3 1 1 A 27 27 ALA HA H 27 4.183 4.282 -0.099 1
1 217 . 3 1 1 A 28 28 HIS H H 28 7.753 8.520 -0.767 1
1 218 . 3 1 1 A 28 28 HIS HA H 28 4.716 4.821 -0.105 1
1 223 . 3 1 1 A 29 29 SER H H 29 7.834 8.825 -0.991 1
1 224 . 3 1 1 A 29 29 SER HA H 29 4.599 4.157 0.442 1
1 227 . 3 1 1 A 30 30 LEU H H 30 8.548 8.648 -0.100 1
1 228 . 3 1 1 A 30 30 LEU HA H 30 3.890 4.570 -0.680 1
1 238 . 3 1 1 A 31 31 ALA H H 31 8.494 7.738 0.756 1
1 239 . 3 1 1 A 31 31 ALA HA H 31 3.967 4.301 -0.334 1
1 4 . 4 1 1 A 2 2 VAL H H 2 8.686 8.461 0.225 1
1 5 . 4 1 1 A 2 2 VAL HA H 2 4.058 3.946 0.112 1
1 13 . 4 1 1 A 3 3 ARG H H 3 8.102 7.640 0.462 1
1 14 . 4 1 1 A 3 3 ARG HA H 3 4.060 4.566 -0.506 1
1 22 . 4 1 1 A 4 4 LEU H H 4 7.956 8.160 -0.204 1
1 23 . 4 1 1 A 4 4 LEU HA H 4 4.211 4.101 0.110 1
1 32 . 4 1 1 A 5 5 ALA H H 5 7.815 9.346 -1.531 1
1 33 . 4 1 1 A 5 5 ALA HA H 5 4.080 3.920 0.160 1
1 37 . 4 1 1 A 6 6 LYS H H 6 8.331 8.372 -0.041 1
1 38 . 4 1 1 A 6 6 LYS HA H 6 4.148 3.979 0.169 1
1 47 . 4 1 1 A 7 7 THR H H 7 7.897 8.062 -0.165 1
1 48 . 4 1 1 A 7 7 THR HA H 7 4.397 4.304 0.093 1
1 53 . 4 1 1 A 8 8 LEU H H 8 8.449 8.916 -0.467 1
1 63 . 4 1 1 A 9 9 GLY H H 9 8.015 10.669 -2.654 1
1 64 . 4 1 1 A 9 9 GLY HA2 H 9 3.819 3.665 0.154 1
1 65 . 4 1 1 A 9 9 GLY HA3 H 9 3.874 3.665 0.209 1
1 66 . 4 1 1 A 10 10 LEU H H 10 7.608 8.754 -1.146 1
1 67 . 4 1 1 A 10 10 LEU HA H 10 4.306 3.977 0.329 1
1 76 . 4 1 1 A 11 11 VAL H H 11 7.919 7.899 0.020 1
1 77 . 4 1 1 A 11 11 VAL HA H 11 3.583 3.506 0.077 1
1 85 . 4 1 1 A 12 12 LEU H H 12 8.284 7.861 0.423 1
1 86 . 4 1 1 A 12 12 LEU HA H 12 4.097 3.913 0.184 1
1 95 . 4 1 1 A 13 13 ALA H H 13 7.639 9.623 -1.984 1
1 96 . 4 1 1 A 13 13 ALA HA H 13 4.094 3.934 0.160 1
1 100 . 4 1 1 A 14 14 VAL H H 14 8.068 8.718 -0.650 1
1 101 . 4 1 1 A 14 14 VAL HA H 14 3.680 3.511 0.169 1
1 109 . 4 1 1 A 15 15 LEU H H 15 8.389 8.679 -0.290 1
1 110 . 4 1 1 A 15 15 LEU HA H 15 4.111 3.651 0.460 1
1 120 . 4 1 1 A 16 16 LEU H H 16 8.354 8.854 -0.500 1
1 121 . 4 1 1 A 16 16 LEU HA H 16 4.210 4.058 0.152 1
1 131 . 4 1 1 A 17 17 ILE H H 17 8.214 7.578 0.636 1
1 132 . 4 1 1 A 17 17 ILE HA H 17 3.908 3.851 0.057 1
1 142 . 4 1 1 A 18 18 CYS H H 18 8.246 7.043 1.203 1
1 143 . 4 1 1 A 18 18 CYS HA H 18 4.289 4.561 -0.272 1
1 146 . 4 1 1 A 19 19 TRP H H 19 8.284 6.966 1.318 1
1 147 . 4 1 1 A 19 19 TRP HA H 19 4.872 4.335 0.537 1
1 156 . 4 1 1 A 20 20 PHE H H 20 8.548 8.134 0.414 1
1 157 . 4 1 1 A 20 20 PHE HA H 20 4.513 4.754 -0.241 1
1 164 . 4 1 1 A 21 21 PRO HA H 21 4.215 4.430 -0.215 1
1 171 . 4 1 1 A 22 22 VAL H H 22 7.204 7.664 -0.460 1
1 172 . 4 1 1 A 22 22 VAL HA H 22 3.738 3.655 0.083 1
1 180 . 4 1 1 A 23 23 LEU H H 23 7.848 8.211 -0.363 1
1 181 . 4 1 1 A 23 23 LEU HA H 23 4.023 4.333 -0.310 1
1 191 . 4 1 1 A 24 24 ALA H H 24 8.296 8.272 0.024 1
1 192 . 4 1 1 A 24 24 ALA HA H 24 3.964 4.170 -0.206 1
1 196 . 4 1 1 A 25 25 LEU H H 25 7.768 8.019 -0.251 1
1 197 . 4 1 1 A 25 25 LEU HA H 25 4.160 3.929 0.231 1
1 206 . 4 1 1 A 26 26 MET H H 26 8.440 10.028 -1.588 1
1 207 . 4 1 1 A 26 26 MET HA H 26 4.152 4.052 0.100 1
1 212 . 4 1 1 A 27 27 ALA H H 27 8.297 8.759 -0.462 1
1 213 . 4 1 1 A 27 27 ALA HA H 27 4.183 4.190 -0.007 1
1 217 . 4 1 1 A 28 28 HIS H H 28 7.753 9.323 -1.570 1
1 218 . 4 1 1 A 28 28 HIS HA H 28 4.716 4.737 -0.021 1
1 223 . 4 1 1 A 29 29 SER H H 29 7.834 10.116 -2.282 1
1 224 . 4 1 1 A 29 29 SER HA H 29 4.599 4.185 0.414 1
1 227 . 4 1 1 A 30 30 LEU H H 30 8.548 8.145 0.403 1
1 228 . 4 1 1 A 30 30 LEU HA H 30 3.890 4.414 -0.524 1
1 238 . 4 1 1 A 31 31 ALA H H 31 8.494 8.692 -0.198 1
1 239 . 4 1 1 A 31 31 ALA HA H 31 3.967 4.453 -0.486 1
1 4 . 5 1 1 A 2 2 VAL H H 2 8.686 8.675 0.011 1
1 5 . 5 1 1 A 2 2 VAL HA H 2 4.058 4.094 -0.036 1
1 13 . 5 1 1 A 3 3 ARG H H 3 8.102 7.767 0.335 1
1 14 . 5 1 1 A 3 3 ARG HA H 3 4.060 4.798 -0.738 1
1 22 . 5 1 1 A 4 4 LEU H H 4 7.956 8.612 -0.656 1
1 23 . 5 1 1 A 4 4 LEU HA H 4 4.211 4.205 0.006 1
1 32 . 5 1 1 A 5 5 ALA H H 5 7.815 9.207 -1.392 1
1 33 . 5 1 1 A 5 5 ALA HA H 5 4.080 3.924 0.156 1
1 37 . 5 1 1 A 6 6 LYS H H 6 8.331 7.595 0.736 1
1 38 . 5 1 1 A 6 6 LYS HA H 6 4.148 4.075 0.073 1
1 47 . 5 1 1 A 7 7 THR H H 7 7.897 8.102 -0.205 1
1 48 . 5 1 1 A 7 7 THR HA H 7 4.397 4.281 0.116 1
1 53 . 5 1 1 A 8 8 LEU H H 8 8.449 7.710 0.739 1
1 63 . 5 1 1 A 9 9 GLY H H 9 8.015 10.217 -2.202 1
1 64 . 5 1 1 A 9 9 GLY HA2 H 9 3.819 3.788 0.031 1
1 65 . 5 1 1 A 9 9 GLY HA3 H 9 3.874 3.788 0.086 1
1 66 . 5 1 1 A 10 10 LEU H H 10 7.608 8.380 -0.772 1
1 67 . 5 1 1 A 10 10 LEU HA H 10 4.306 3.943 0.363 1
1 76 . 5 1 1 A 11 11 VAL H H 11 7.919 7.949 -0.030 1
1 77 . 5 1 1 A 11 11 VAL HA H 11 3.583 3.527 0.056 1
1 85 . 5 1 1 A 12 12 LEU H H 12 8.284 8.099 0.185 1
1 86 . 5 1 1 A 12 12 LEU HA H 12 4.097 3.901 0.196 1
1 95 . 5 1 1 A 13 13 ALA H H 13 7.639 9.661 -2.022 1
1 96 . 5 1 1 A 13 13 ALA HA H 13 4.094 3.953 0.141 1
1 100 . 5 1 1 A 14 14 VAL H H 14 8.068 8.850 -0.782 1
1 101 . 5 1 1 A 14 14 VAL HA H 14 3.680 3.504 0.176 1
1 109 . 5 1 1 A 15 15 LEU H H 15 8.389 9.000 -0.611 1
1 110 . 5 1 1 A 15 15 LEU HA H 15 4.111 3.615 0.496 1
1 120 . 5 1 1 A 16 16 LEU H H 16 8.354 9.034 -0.680 1
1 121 . 5 1 1 A 16 16 LEU HA H 16 4.210 4.090 0.120 1
1 131 . 5 1 1 A 17 17 ILE H H 17 8.214 7.424 0.790 1
1 132 . 5 1 1 A 17 17 ILE HA H 17 3.908 3.931 -0.023 1
1 142 . 5 1 1 A 18 18 CYS H H 18 8.246 7.339 0.907 1
1 143 . 5 1 1 A 18 18 CYS HA H 18 4.289 4.350 -0.061 1
1 146 . 5 1 1 A 19 19 TRP H H 19 8.284 7.465 0.819 1
1 147 . 5 1 1 A 19 19 TRP HA H 19 4.872 3.764 1.108 1
1 156 . 5 1 1 A 20 20 PHE H H 20 8.548 8.357 0.191 1
1 157 . 5 1 1 A 20 20 PHE HA H 20 4.513 4.830 -0.317 1
1 164 . 5 1 1 A 21 21 PRO HA H 21 4.215 4.375 -0.160 1
1 171 . 5 1 1 A 22 22 VAL H H 22 7.204 7.199 0.005 1
1 172 . 5 1 1 A 22 22 VAL HA H 22 3.738 3.511 0.227 1
1 180 . 5 1 1 A 23 23 LEU H H 23 7.848 7.991 -0.143 1
1 181 . 5 1 1 A 23 23 LEU HA H 23 4.023 4.309 -0.286 1
1 191 . 5 1 1 A 24 24 ALA H H 24 8.296 8.470 -0.174 1
1 192 . 5 1 1 A 24 24 ALA HA H 24 3.964 4.177 -0.213 1
1 196 . 5 1 1 A 25 25 LEU H H 25 7.768 8.684 -0.916 1
1 197 . 5 1 1 A 25 25 LEU HA H 25 4.160 4.145 0.015 1
1 206 . 5 1 1 A 26 26 MET H H 26 8.440 10.005 -1.565 1
1 207 . 5 1 1 A 26 26 MET HA H 26 4.152 4.077 0.075 1
1 212 . 5 1 1 A 27 27 ALA H H 27 8.297 8.660 -0.363 1
1 213 . 5 1 1 A 27 27 ALA HA H 27 4.183 4.198 -0.015 1
1 217 . 5 1 1 A 28 28 HIS H H 28 7.753 8.236 -0.483 1
1 218 . 5 1 1 A 28 28 HIS HA H 28 4.716 4.482 0.234 1
1 223 . 5 1 1 A 29 29 SER H H 29 7.834 10.108 -2.274 1
1 224 . 5 1 1 A 29 29 SER HA H 29 4.599 4.092 0.507 1
1 227 . 5 1 1 A 30 30 LEU H H 30 8.548 8.441 0.107 1
1 228 . 5 1 1 A 30 30 LEU HA H 30 3.890 4.711 -0.821 1
1 238 . 5 1 1 A 31 31 ALA H H 31 8.494 7.205 1.289 1
1 239 . 5 1 1 A 31 31 ALA HA H 31 3.967 4.314 -0.347 1
1 4 . 6 1 1 A 2 2 VAL H H 2 8.686 8.525 0.161 1
1 5 . 6 1 1 A 2 2 VAL HA H 2 4.058 3.844 0.214 1
1 13 . 6 1 1 A 3 3 ARG H H 3 8.102 7.891 0.211 1
1 14 . 6 1 1 A 3 3 ARG HA H 3 4.060 4.647 -0.587 1
1 22 . 6 1 1 A 4 4 LEU H H 4 7.956 8.601 -0.645 1
1 23 . 6 1 1 A 4 4 LEU HA H 4 4.211 4.177 0.034 1
1 32 . 6 1 1 A 5 5 ALA H H 5 7.815 8.559 -0.744 1
1 33 . 6 1 1 A 5 5 ALA HA H 5 4.080 3.903 0.177 1
1 37 . 6 1 1 A 6 6 LYS H H 6 8.331 7.609 0.722 1
1 38 . 6 1 1 A 6 6 LYS HA H 6 4.148 4.049 0.099 1
1 47 . 6 1 1 A 7 7 THR H H 7 7.897 8.432 -0.535 1
1 48 . 6 1 1 A 7 7 THR HA H 7 4.397 3.987 0.410 1
1 53 . 6 1 1 A 8 8 LEU H H 8 8.449 8.012 0.437 1
1 63 . 6 1 1 A 9 9 GLY H H 9 8.015 9.418 -1.403 1
1 64 . 6 1 1 A 9 9 GLY HA2 H 9 3.819 3.783 0.036 1
1 65 . 6 1 1 A 9 9 GLY HA3 H 9 3.874 3.783 0.091 1
1 66 . 6 1 1 A 10 10 LEU H H 10 7.608 9.025 -1.417 1
1 67 . 6 1 1 A 10 10 LEU HA H 10 4.306 3.998 0.308 1
1 76 . 6 1 1 A 11 11 VAL H H 11 7.919 8.348 -0.429 1
1 77 . 6 1 1 A 11 11 VAL HA H 11 3.583 3.507 0.076 1
1 85 . 6 1 1 A 12 12 LEU H H 12 8.284 8.561 -0.277 1
1 86 . 6 1 1 A 12 12 LEU HA H 12 4.097 3.901 0.196 1
1 95 . 6 1 1 A 13 13 ALA H H 13 7.639 9.250 -1.611 1
1 96 . 6 1 1 A 13 13 ALA HA H 13 4.094 3.974 0.120 1
1 100 . 6 1 1 A 14 14 VAL H H 14 8.068 9.290 -1.222 1
1 101 . 6 1 1 A 14 14 VAL HA H 14 3.680 3.409 0.271 1
1 109 . 6 1 1 A 15 15 LEU H H 15 8.389 8.868 -0.479 1
1 110 . 6 1 1 A 15 15 LEU HA H 15 4.111 3.616 0.495 1
1 120 . 6 1 1 A 16 16 LEU H H 16 8.354 8.478 -0.124 1
1 121 . 6 1 1 A 16 16 LEU HA H 16 4.210 4.087 0.123 1
1 131 . 6 1 1 A 17 17 ILE H H 17 8.214 7.741 0.473 1
1 132 . 6 1 1 A 17 17 ILE HA H 17 3.908 3.940 -0.032 1
1 142 . 6 1 1 A 18 18 CYS H H 18 8.246 7.216 1.030 1
1 143 . 6 1 1 A 18 18 CYS HA H 18 4.289 4.357 -0.068 1
1 146 . 6 1 1 A 19 19 TRP H H 19 8.284 7.297 0.987 1
1 147 . 6 1 1 A 19 19 TRP HA H 19 4.872 4.336 0.536 1
1 156 . 6 1 1 A 20 20 PHE H H 20 8.548 8.499 0.049 1
1 157 . 6 1 1 A 20 20 PHE HA H 20 4.513 4.803 -0.290 1
1 164 . 6 1 1 A 21 21 PRO HA H 21 4.215 4.406 -0.191 1
1 171 . 6 1 1 A 22 22 VAL H H 22 7.204 7.538 -0.334 1
1 172 . 6 1 1 A 22 22 VAL HA H 22 3.738 3.622 0.116 1
1 180 . 6 1 1 A 23 23 LEU H H 23 7.848 8.219 -0.371 1
1 181 . 6 1 1 A 23 23 LEU HA H 23 4.023 4.331 -0.308 1
1 191 . 6 1 1 A 24 24 ALA H H 24 8.296 8.513 -0.217 1
1 192 . 6 1 1 A 24 24 ALA HA H 24 3.964 4.118 -0.154 1
1 196 . 6 1 1 A 25 25 LEU H H 25 7.768 8.254 -0.486 1
1 197 . 6 1 1 A 25 25 LEU HA H 25 4.160 3.991 0.169 1
1 206 . 6 1 1 A 26 26 MET H H 26 8.440 9.796 -1.356 1
1 207 . 6 1 1 A 26 26 MET HA H 26 4.152 4.007 0.145 1
1 212 . 6 1 1 A 27 27 ALA H H 27 8.297 8.856 -0.559 1
1 213 . 6 1 1 A 27 27 ALA HA H 27 4.183 4.164 0.019 1
1 217 . 6 1 1 A 28 28 HIS H H 28 7.753 9.110 -1.357 1
1 218 . 6 1 1 A 28 28 HIS HA H 28 4.716 4.701 0.015 1
1 223 . 6 1 1 A 29 29 SER H H 29 7.834 9.828 -1.994 1
1 224 . 6 1 1 A 29 29 SER HA H 29 4.599 3.910 0.689 1
1 227 . 6 1 1 A 30 30 LEU H H 30 8.548 7.933 0.615 1
1 228 . 6 1 1 A 30 30 LEU HA H 30 3.890 4.400 -0.510 1
1 238 . 6 1 1 A 31 31 ALA H H 31 8.494 8.863 -0.369 1
1 239 . 6 1 1 A 31 31 ALA HA H 31 3.967 4.235 -0.268 1
1 4 . 7 1 1 A 2 2 VAL H H 2 8.686 8.657 0.029 1
1 5 . 7 1 1 A 2 2 VAL HA H 2 4.058 3.751 0.307 1
1 13 . 7 1 1 A 3 3 ARG H H 3 8.102 8.135 -0.033 1
1 14 . 7 1 1 A 3 3 ARG HA H 3 4.060 4.698 -0.638 1
1 22 . 7 1 1 A 4 4 LEU H H 4 7.956 8.601 -0.645 1
1 23 . 7 1 1 A 4 4 LEU HA H 4 4.211 4.269 -0.058 1
1 32 . 7 1 1 A 5 5 ALA H H 5 7.815 9.660 -1.845 1
1 33 . 7 1 1 A 5 5 ALA HA H 5 4.080 3.985 0.095 1
1 37 . 7 1 1 A 6 6 LYS H H 6 8.331 8.147 0.184 1
1 38 . 7 1 1 A 6 6 LYS HA H 6 4.148 4.009 0.139 1
1 47 . 7 1 1 A 7 7 THR H H 7 7.897 9.047 -1.150 1
1 48 . 7 1 1 A 7 7 THR HA H 7 4.397 3.967 0.430 1
1 53 . 7 1 1 A 8 8 LEU H H 8 8.449 8.113 0.336 1
1 63 . 7 1 1 A 9 9 GLY H H 9 8.015 10.188 -2.173 1
1 64 . 7 1 1 A 9 9 GLY HA2 H 9 3.819 3.737 0.082 1
1 65 . 7 1 1 A 9 9 GLY HA3 H 9 3.874 3.738 0.136 1
1 66 . 7 1 1 A 10 10 LEU H H 10 7.608 8.649 -1.041 1
1 67 . 7 1 1 A 10 10 LEU HA H 10 4.306 3.987 0.319 1
1 76 . 7 1 1 A 11 11 VAL H H 11 7.919 8.930 -1.011 1
1 77 . 7 1 1 A 11 11 VAL HA H 11 3.583 3.562 0.021 1
1 85 . 7 1 1 A 12 12 LEU H H 12 8.284 9.517 -1.233 1
1 86 . 7 1 1 A 12 12 LEU HA H 12 4.097 3.924 0.173 1
1 95 . 7 1 1 A 13 13 ALA H H 13 7.639 8.251 -0.612 1
1 96 . 7 1 1 A 13 13 ALA HA H 13 4.094 4.120 -0.026 1
1 100 . 7 1 1 A 14 14 VAL H H 14 8.068 9.440 -1.372 1
1 101 . 7 1 1 A 14 14 VAL HA H 14 3.680 3.403 0.277 1
1 109 . 7 1 1 A 15 15 LEU H H 15 8.389 8.321 0.068 1
1 110 . 7 1 1 A 15 15 LEU HA H 15 4.111 3.827 0.284 1
1 120 . 7 1 1 A 16 16 LEU H H 16 8.354 7.597 0.757 1
1 121 . 7 1 1 A 16 16 LEU HA H 16 4.210 4.243 -0.033 1
1 131 . 7 1 1 A 17 17 ILE H H 17 8.214 7.827 0.387 1
1 132 . 7 1 1 A 17 17 ILE HA H 17 3.908 4.053 -0.145 1
1 142 . 7 1 1 A 18 18 CYS H H 18 8.246 8.232 0.014 1
1 143 . 7 1 1 A 18 18 CYS HA H 18 4.289 4.201 0.088 1
1 146 . 7 1 1 A 19 19 TRP H H 19 8.284 6.476 1.808 1
1 147 . 7 1 1 A 19 19 TRP HA H 19 4.872 3.550 1.322 1
1 156 . 7 1 1 A 20 20 PHE H H 20 8.548 8.508 0.040 1
1 157 . 7 1 1 A 20 20 PHE HA H 20 4.513 4.770 -0.257 1
1 164 . 7 1 1 A 21 21 PRO HA H 21 4.215 4.377 -0.162 1
1 171 . 7 1 1 A 22 22 VAL H H 22 7.204 7.158 0.046 1
1 172 . 7 1 1 A 22 22 VAL HA H 22 3.738 3.625 0.113 1
1 180 . 7 1 1 A 23 23 LEU H H 23 7.848 7.839 0.009 1
1 181 . 7 1 1 A 23 23 LEU HA H 23 4.023 4.299 -0.276 1
1 191 . 7 1 1 A 24 24 ALA H H 24 8.296 7.923 0.373 1
1 192 . 7 1 1 A 24 24 ALA HA H 24 3.964 4.064 -0.100 1
1 196 . 7 1 1 A 25 25 LEU H H 25 7.768 7.712 0.056 1
1 197 . 7 1 1 A 25 25 LEU HA H 25 4.160 4.239 -0.079 1
1 206 . 7 1 1 A 26 26 MET H H 26 8.440 10.413 -1.973 1
1 207 . 7 1 1 A 26 26 MET HA H 26 4.152 4.150 0.002 1
1 212 . 7 1 1 A 27 27 ALA H H 27 8.297 8.178 0.119 1
1 213 . 7 1 1 A 27 27 ALA HA H 27 4.183 4.240 -0.057 1
1 217 . 7 1 1 A 28 28 HIS H H 28 7.753 8.229 -0.476 1
1 218 . 7 1 1 A 28 28 HIS HA H 28 4.716 4.896 -0.180 1
1 223 . 7 1 1 A 29 29 SER H H 29 7.834 8.744 -0.910 1
1 224 . 7 1 1 A 29 29 SER HA H 29 4.599 3.856 0.743 1
1 227 . 7 1 1 A 30 30 LEU H H 30 8.548 9.358 -0.810 1
1 228 . 7 1 1 A 30 30 LEU HA H 30 3.890 4.315 -0.425 1
1 238 . 7 1 1 A 31 31 ALA H H 31 8.494 8.007 0.487 1
1 239 . 7 1 1 A 31 31 ALA HA H 31 3.967 4.114 -0.147 1
1 4 . 8 1 1 A 2 2 VAL H H 2 8.686 8.706 -0.020 1
1 5 . 8 1 1 A 2 2 VAL HA H 2 4.058 3.864 0.194 1
1 13 . 8 1 1 A 3 3 ARG H H 3 8.102 7.908 0.194 1
1 14 . 8 1 1 A 3 3 ARG HA H 3 4.060 4.671 -0.611 1
1 22 . 8 1 1 A 4 4 LEU H H 4 7.956 8.631 -0.675 1
1 23 . 8 1 1 A 4 4 LEU HA H 4 4.211 5.045 -0.834 1
1 32 . 8 1 1 A 5 5 ALA H H 5 7.815 9.002 -1.187 1
1 33 . 8 1 1 A 5 5 ALA HA H 5 4.080 3.943 0.137 1
1 37 . 8 1 1 A 6 6 LYS H H 6 8.331 7.866 0.465 1
1 38 . 8 1 1 A 6 6 LYS HA H 6 4.148 4.008 0.140 1
1 47 . 8 1 1 A 7 7 THR H H 7 7.897 7.922 -0.025 1
1 48 . 8 1 1 A 7 7 THR HA H 7 4.397 3.937 0.460 1
1 53 . 8 1 1 A 8 8 LEU H H 8 8.449 8.347 0.102 1
1 63 . 8 1 1 A 9 9 GLY H H 9 8.015 9.718 -1.703 1
1 64 . 8 1 1 A 9 9 GLY HA2 H 9 3.819 3.753 0.066 1
1 65 . 8 1 1 A 9 9 GLY HA3 H 9 3.874 3.754 0.120 1
1 66 . 8 1 1 A 10 10 LEU H H 10 7.608 8.604 -0.996 1
1 67 . 8 1 1 A 10 10 LEU HA H 10 4.306 3.990 0.316 1
1 76 . 8 1 1 A 11 11 VAL H H 11 7.919 8.000 -0.081 1
1 77 . 8 1 1 A 11 11 VAL HA H 11 3.583 3.502 0.081 1
1 85 . 8 1 1 A 12 12 LEU H H 12 8.284 9.301 -1.017 1
1 86 . 8 1 1 A 12 12 LEU HA H 12 4.097 3.952 0.145 1
1 95 . 8 1 1 A 13 13 ALA H H 13 7.639 9.528 -1.889 1
1 96 . 8 1 1 A 13 13 ALA HA H 13 4.094 3.994 0.100 1
1 100 . 8 1 1 A 14 14 VAL H H 14 8.068 8.331 -0.263 1
1 101 . 8 1 1 A 14 14 VAL HA H 14 3.680 3.598 0.082 1
1 109 . 8 1 1 A 15 15 LEU H H 15 8.389 9.475 -1.086 1
1 110 . 8 1 1 A 15 15 LEU HA H 15 4.111 3.591 0.520 1
1 120 . 8 1 1 A 16 16 LEU H H 16 8.354 7.998 0.356 1
1 121 . 8 1 1 A 16 16 LEU HA H 16 4.210 4.099 0.111 1
1 131 . 8 1 1 A 17 17 ILE H H 17 8.214 7.710 0.504 1
1 132 . 8 1 1 A 17 17 ILE HA H 17 3.908 4.049 -0.141 1
1 142 . 8 1 1 A 18 18 CYS H H 18 8.246 7.493 0.753 1
1 143 . 8 1 1 A 18 18 CYS HA H 18 4.289 4.213 0.076 1
1 146 . 8 1 1 A 19 19 TRP H H 19 8.284 7.600 0.684 1
1 147 . 8 1 1 A 19 19 TRP HA H 19 4.872 4.281 0.591 1
1 156 . 8 1 1 A 20 20 PHE H H 20 8.548 8.719 -0.171 1
1 157 . 8 1 1 A 20 20 PHE HA H 20 4.513 4.865 -0.352 1
1 164 . 8 1 1 A 21 21 PRO HA H 21 4.215 4.460 -0.245 1
1 171 . 8 1 1 A 22 22 VAL H H 22 7.204 7.064 0.140 1
1 172 . 8 1 1 A 22 22 VAL HA H 22 3.738 3.739 -0.001 1
1 180 . 8 1 1 A 23 23 LEU H H 23 7.848 7.830 0.018 1
1 181 . 8 1 1 A 23 23 LEU HA H 23 4.023 4.287 -0.264 1
1 191 . 8 1 1 A 24 24 ALA H H 24 8.296 8.423 -0.127 1
1 192 . 8 1 1 A 24 24 ALA HA H 24 3.964 4.170 -0.206 1
1 196 . 8 1 1 A 25 25 LEU H H 25 7.768 8.166 -0.398 1
1 197 . 8 1 1 A 25 25 LEU HA H 25 4.160 3.863 0.297 1
1 206 . 8 1 1 A 26 26 MET H H 26 8.440 9.970 -1.530 1
1 207 . 8 1 1 A 26 26 MET HA H 26 4.152 4.115 0.037 1
1 212 . 8 1 1 A 27 27 ALA H H 27 8.297 8.998 -0.701 1
1 213 . 8 1 1 A 27 27 ALA HA H 27 4.183 4.325 -0.142 1
1 217 . 8 1 1 A 28 28 HIS H H 28 7.753 8.338 -0.585 1
1 218 . 8 1 1 A 28 28 HIS HA H 28 4.716 4.870 -0.154 1
1 223 . 8 1 1 A 29 29 SER H H 29 7.834 8.701 -0.867 1
1 224 . 8 1 1 A 29 29 SER HA H 29 4.599 3.763 0.836 1
1 227 . 8 1 1 A 30 30 LEU H H 30 8.548 8.777 -0.229 1
1 228 . 8 1 1 A 30 30 LEU HA H 30 3.890 4.131 -0.241 1
1 238 . 8 1 1 A 31 31 ALA H H 31 8.494 7.648 0.846 1
1 239 . 8 1 1 A 31 31 ALA HA H 31 3.967 4.015 -0.048 1
1 4 . 9 1 1 A 2 2 VAL H H 2 8.686 8.664 0.022 1
1 5 . 9 1 1 A 2 2 VAL HA H 2 4.058 3.917 0.141 1
1 13 . 9 1 1 A 3 3 ARG H H 3 8.102 7.767 0.335 1
1 14 . 9 1 1 A 3 3 ARG HA H 3 4.060 4.727 -0.667 1
1 22 . 9 1 1 A 4 4 LEU H H 4 7.956 9.306 -1.350 1
1 23 . 9 1 1 A 4 4 LEU HA H 4 4.211 4.916 -0.705 1
1 32 . 9 1 1 A 5 5 ALA H H 5 7.815 9.085 -1.270 1
1 33 . 9 1 1 A 5 5 ALA HA H 5 4.080 3.924 0.156 1
1 37 . 9 1 1 A 6 6 LYS H H 6 8.331 7.843 0.488 1
1 38 . 9 1 1 A 6 6 LYS HA H 6 4.148 3.967 0.181 1
1 47 . 9 1 1 A 7 7 THR H H 7 7.897 8.270 -0.373 1
1 48 . 9 1 1 A 7 7 THR HA H 7 4.397 4.019 0.378 1
1 53 . 9 1 1 A 8 8 LEU H H 8 8.449 8.597 -0.148 1
1 63 . 9 1 1 A 9 9 GLY H H 9 8.015 9.414 -1.399 1
1 64 . 9 1 1 A 9 9 GLY HA2 H 9 3.819 3.755 0.064 1
1 65 . 9 1 1 A 9 9 GLY HA3 H 9 3.874 3.755 0.119 1
1 66 . 9 1 1 A 10 10 LEU H H 10 7.608 9.048 -1.440 1
1 67 . 9 1 1 A 10 10 LEU HA H 10 4.306 3.994 0.312 1
1 76 . 9 1 1 A 11 11 VAL H H 11 7.919 8.404 -0.485 1
1 77 . 9 1 1 A 11 11 VAL HA H 11 3.583 3.512 0.071 1
1 85 . 9 1 1 A 12 12 LEU H H 12 8.284 8.385 -0.101 1
1 86 . 9 1 1 A 12 12 LEU HA H 12 4.097 3.883 0.214 1
1 95 . 9 1 1 A 13 13 ALA H H 13 7.639 8.580 -0.941 1
1 96 . 9 1 1 A 13 13 ALA HA H 13 4.094 3.952 0.142 1
1 100 . 9 1 1 A 14 14 VAL H H 14 8.068 8.432 -0.364 1
1 101 . 9 1 1 A 14 14 VAL HA H 14 3.680 3.534 0.146 1
1 109 . 9 1 1 A 15 15 LEU H H 15 8.389 9.023 -0.634 1
1 110 . 9 1 1 A 15 15 LEU HA H 15 4.111 3.609 0.502 1
1 120 . 9 1 1 A 16 16 LEU H H 16 8.354 8.345 0.009 1
1 121 . 9 1 1 A 16 16 LEU HA H 16 4.210 4.218 -0.008 1
1 131 . 9 1 1 A 17 17 ILE H H 17 8.214 7.664 0.550 1
1 132 . 9 1 1 A 17 17 ILE HA H 17 3.908 4.136 -0.228 1
1 142 . 9 1 1 A 18 18 CYS H H 18 8.246 7.097 1.149 1
1 143 . 9 1 1 A 18 18 CYS HA H 18 4.289 4.213 0.076 1
1 146 . 9 1 1 A 19 19 TRP H H 19 8.284 8.233 0.051 1
1 147 . 9 1 1 A 19 19 TRP HA H 19 4.872 4.373 0.499 1
1 156 . 9 1 1 A 20 20 PHE H H 20 8.548 8.644 -0.096 1
1 157 . 9 1 1 A 20 20 PHE HA H 20 4.513 4.869 -0.356 1
1 164 . 9 1 1 A 21 21 PRO HA H 21 4.215 4.419 -0.204 1
1 171 . 9 1 1 A 22 22 VAL H H 22 7.204 7.247 -0.043 1
1 172 . 9 1 1 A 22 22 VAL HA H 22 3.738 3.467 0.271 1
1 180 . 9 1 1 A 23 23 LEU H H 23 7.848 7.738 0.110 1
1 181 . 9 1 1 A 23 23 LEU HA H 23 4.023 4.235 -0.212 1
1 191 . 9 1 1 A 24 24 ALA H H 24 8.296 7.939 0.357 1
1 192 . 9 1 1 A 24 24 ALA HA H 24 3.964 4.142 -0.178 1
1 196 . 9 1 1 A 25 25 LEU H H 25 7.768 7.638 0.130 1
1 197 . 9 1 1 A 25 25 LEU HA H 25 4.160 4.060 0.100 1
1 206 . 9 1 1 A 26 26 MET H H 26 8.440 10.029 -1.589 1
1 207 . 9 1 1 A 26 26 MET HA H 26 4.152 4.006 0.146 1
1 212 . 9 1 1 A 27 27 ALA H H 27 8.297 7.837 0.460 1
1 213 . 9 1 1 A 27 27 ALA HA H 27 4.183 4.218 -0.035 1
1 217 . 9 1 1 A 28 28 HIS H H 28 7.753 8.910 -1.157 1
1 218 . 9 1 1 A 28 28 HIS HA H 28 4.716 4.748 -0.032 1
1 223 . 9 1 1 A 29 29 SER H H 29 7.834 9.077 -1.243 1
1 224 . 9 1 1 A 29 29 SER HA H 29 4.599 3.799 0.800 1
1 227 . 9 1 1 A 30 30 LEU H H 30 8.548 7.290 1.258 1
1 228 . 9 1 1 A 30 30 LEU HA H 30 3.890 4.537 -0.647 1
1 238 . 9 1 1 A 31 31 ALA H H 31 8.494 8.164 0.330 1
1 239 . 9 1 1 A 31 31 ALA HA H 31 3.967 4.287 -0.320 1
1 4 . 10 1 1 A 2 2 VAL H H 2 8.686 8.706 -0.020 1
1 5 . 10 1 1 A 2 2 VAL HA H 2 4.058 3.806 0.252 1
1 13 . 10 1 1 A 3 3 ARG H H 3 8.102 8.101 0.001 1
1 14 . 10 1 1 A 3 3 ARG HA H 3 4.060 4.468 -0.408 1
1 22 . 10 1 1 A 4 4 LEU H H 4 7.956 7.732 0.224 1
1 23 . 10 1 1 A 4 4 LEU HA H 4 4.211 4.598 -0.387 1
1 32 . 10 1 1 A 5 5 ALA H H 5 7.815 8.686 -0.871 1
1 33 . 10 1 1 A 5 5 ALA HA H 5 4.080 3.981 0.099 1
1 37 . 10 1 1 A 6 6 LYS H H 6 8.331 8.215 0.116 1
1 38 . 10 1 1 A 6 6 LYS HA H 6 4.148 4.079 0.069 1
1 47 . 10 1 1 A 7 7 THR H H 7 7.897 8.222 -0.325 1
1 48 . 10 1 1 A 7 7 THR HA H 7 4.397 4.152 0.245 1
1 53 . 10 1 1 A 8 8 LEU H H 8 8.449 8.829 -0.380 1
1 63 . 10 1 1 A 9 9 GLY H H 9 8.015 10.657 -2.642 1
1 64 . 10 1 1 A 9 9 GLY HA2 H 9 3.819 3.732 0.087 1
1 65 . 10 1 1 A 9 9 GLY HA3 H 9 3.874 3.732 0.142 1
1 66 . 10 1 1 A 10 10 LEU H H 10 7.608 8.122 -0.514 1
1 67 . 10 1 1 A 10 10 LEU HA H 10 4.306 3.988 0.318 1
1 76 . 10 1 1 A 11 11 VAL H H 11 7.919 7.893 0.026 1
1 77 . 10 1 1 A 11 11 VAL HA H 11 3.583 3.532 0.051 1
1 85 . 10 1 1 A 12 12 LEU H H 12 8.284 8.619 -0.335 1
1 86 . 10 1 1 A 12 12 LEU HA H 12 4.097 3.815 0.282 1
1 95 . 10 1 1 A 13 13 ALA H H 13 7.639 9.660 -2.021 1
1 96 . 10 1 1 A 13 13 ALA HA H 13 4.094 3.944 0.150 1
1 100 . 10 1 1 A 14 14 VAL H H 14 8.068 8.853 -0.785 1
1 101 . 10 1 1 A 14 14 VAL HA H 14 3.680 3.473 0.207 1
1 109 . 10 1 1 A 15 15 LEU H H 15 8.389 8.940 -0.551 1
1 110 . 10 1 1 A 15 15 LEU HA H 15 4.111 3.657 0.454 1
1 120 . 10 1 1 A 16 16 LEU H H 16 8.354 8.816 -0.462 1
1 121 . 10 1 1 A 16 16 LEU HA H 16 4.210 4.046 0.164 1
1 131 . 10 1 1 A 17 17 ILE H H 17 8.214 7.560 0.654 1
1 132 . 10 1 1 A 17 17 ILE HA H 17 3.908 3.850 0.058 1
1 142 . 10 1 1 A 18 18 CYS H H 18 8.246 7.304 0.942 1
1 143 . 10 1 1 A 18 18 CYS HA H 18 4.289 4.454 -0.165 1
1 146 . 10 1 1 A 19 19 TRP H H 19 8.284 7.197 1.087 1
1 147 . 10 1 1 A 19 19 TRP HA H 19 4.872 3.694 1.178 1
1 156 . 10 1 1 A 20 20 PHE H H 20 8.548 8.160 0.388 1
1 157 . 10 1 1 A 20 20 PHE HA H 20 4.513 4.795 -0.282 1
1 164 . 10 1 1 A 21 21 PRO HA H 21 4.215 4.362 -0.147 1
1 171 . 10 1 1 A 22 22 VAL H H 22 7.204 7.167 0.037 1
1 172 . 10 1 1 A 22 22 VAL HA H 22 3.738 3.517 0.221 1
1 180 . 10 1 1 A 23 23 LEU H H 23 7.848 7.829 0.019 1
1 181 . 10 1 1 A 23 23 LEU HA H 23 4.023 4.299 -0.276 1
1 191 . 10 1 1 A 24 24 ALA H H 24 8.296 8.189 0.107 1
1 192 . 10 1 1 A 24 24 ALA HA H 24 3.964 4.184 -0.220 1
1 196 . 10 1 1 A 25 25 LEU H H 25 7.768 7.541 0.227 1
1 197 . 10 1 1 A 25 25 LEU HA H 25 4.160 4.376 -0.216 1
1 206 . 10 1 1 A 26 26 MET H H 26 8.440 10.364 -1.924 1
1 207 . 10 1 1 A 26 26 MET HA H 26 4.152 4.118 0.034 1
1 212 . 10 1 1 A 27 27 ALA H H 27 8.297 8.370 -0.073 1
1 213 . 10 1 1 A 27 27 ALA HA H 27 4.183 4.316 -0.133 1
1 217 . 10 1 1 A 28 28 HIS H H 28 7.753 8.649 -0.896 1
1 218 . 10 1 1 A 28 28 HIS HA H 28 4.716 4.914 -0.198 1
1 223 . 10 1 1 A 29 29 SER H H 29 7.834 8.618 -0.784 1
1 224 . 10 1 1 A 29 29 SER HA H 29 4.599 3.785 0.814 1
1 227 . 10 1 1 A 30 30 LEU H H 30 8.548 7.926 0.622 1
1 228 . 10 1 1 A 30 30 LEU HA H 30 3.890 4.455 -0.565 1
1 238 . 10 1 1 A 31 31 ALA H H 31 8.494 8.020 0.474 1
1 239 . 10 1 1 A 31 31 ALA HA H 31 3.967 4.406 -0.439 1
1 4 . 11 1 1 A 2 2 VAL H H 2 8.686 8.925 -0.239 1
1 5 . 11 1 1 A 2 2 VAL HA H 2 4.058 4.233 -0.175 1
1 13 . 11 1 1 A 3 3 ARG H H 3 8.102 7.675 0.427 1
1 14 . 11 1 1 A 3 3 ARG HA H 3 4.060 4.614 -0.554 1
1 22 . 11 1 1 A 4 4 LEU H H 4 7.956 7.421 0.535 1
1 23 . 11 1 1 A 4 4 LEU HA H 4 4.211 4.509 -0.298 1
1 32 . 11 1 1 A 5 5 ALA H H 5 7.815 8.154 -0.339 1
1 33 . 11 1 1 A 5 5 ALA HA H 5 4.080 4.377 -0.297 1
1 37 . 11 1 1 A 6 6 LYS H H 6 8.331 8.018 0.313 1
1 38 . 11 1 1 A 6 6 LYS HA H 6 4.148 3.978 0.170 1
1 47 . 11 1 1 A 7 7 THR H H 7 7.897 8.242 -0.345 1
1 48 . 11 1 1 A 7 7 THR HA H 7 4.397 4.019 0.378 1
1 53 . 11 1 1 A 8 8 LEU H H 8 8.449 7.891 0.558 1
1 63 . 11 1 1 A 9 9 GLY H H 9 8.015 8.977 -0.962 1
1 64 . 11 1 1 A 9 9 GLY HA2 H 9 3.819 3.742 0.077 1
1 65 . 11 1 1 A 9 9 GLY HA3 H 9 3.874 3.743 0.131 1
1 66 . 11 1 1 A 10 10 LEU H H 10 7.608 9.359 -1.751 1
1 67 . 11 1 1 A 10 10 LEU HA H 10 4.306 3.983 0.323 1
1 76 . 11 1 1 A 11 11 VAL H H 11 7.919 8.140 -0.221 1
1 77 . 11 1 1 A 11 11 VAL HA H 11 3.583 3.527 0.056 1
1 85 . 11 1 1 A 12 12 LEU H H 12 8.284 8.929 -0.645 1
1 86 . 11 1 1 A 12 12 LEU HA H 12 4.097 3.800 0.297 1
1 95 . 11 1 1 A 13 13 ALA H H 13 7.639 9.392 -1.753 1
1 96 . 11 1 1 A 13 13 ALA HA H 13 4.094 3.923 0.171 1
1 100 . 11 1 1 A 14 14 VAL H H 14 8.068 8.701 -0.633 1
1 101 . 11 1 1 A 14 14 VAL HA H 14 3.680 3.503 0.177 1
1 109 . 11 1 1 A 15 15 LEU H H 15 8.389 9.058 -0.669 1
1 110 . 11 1 1 A 15 15 LEU HA H 15 4.111 3.592 0.519 1
1 120 . 11 1 1 A 16 16 LEU H H 16 8.354 8.574 -0.220 1
1 121 . 11 1 1 A 16 16 LEU HA H 16 4.210 3.989 0.221 1
1 131 . 11 1 1 A 17 17 ILE H H 17 8.214 7.749 0.465 1
1 132 . 11 1 1 A 17 17 ILE HA H 17 3.908 4.067 -0.159 1
1 142 . 11 1 1 A 18 18 CYS H H 18 8.246 6.947 1.299 1
1 143 . 11 1 1 A 18 18 CYS HA H 18 4.289 4.246 0.043 1
1 146 . 11 1 1 A 19 19 TRP H H 19 8.284 8.061 0.223 1
1 147 . 11 1 1 A 19 19 TRP HA H 19 4.872 3.758 1.114 1
1 156 . 11 1 1 A 20 20 PHE H H 20 8.548 8.334 0.214 1
1 157 . 11 1 1 A 20 20 PHE HA H 20 4.513 4.776 -0.263 1
1 164 . 11 1 1 A 21 21 PRO HA H 21 4.215 4.429 -0.214 1
1 171 . 11 1 1 A 22 22 VAL H H 22 7.204 7.342 -0.138 1
1 172 . 11 1 1 A 22 22 VAL HA H 22 3.738 3.699 0.039 1
1 180 . 11 1 1 A 23 23 LEU H H 23 7.848 8.070 -0.222 1
1 181 . 11 1 1 A 23 23 LEU HA H 23 4.023 4.342 -0.319 1
1 191 . 11 1 1 A 24 24 ALA H H 24 8.296 8.033 0.263 1
1 192 . 11 1 1 A 24 24 ALA HA H 24 3.964 4.092 -0.128 1
1 196 . 11 1 1 A 25 25 LEU H H 25 7.768 7.834 -0.066 1
1 197 . 11 1 1 A 25 25 LEU HA H 25 4.160 4.154 0.006 1
1 206 . 11 1 1 A 26 26 MET H H 26 8.440 10.193 -1.753 1
1 207 . 11 1 1 A 26 26 MET HA H 26 4.152 4.125 0.027 1
1 212 . 11 1 1 A 27 27 ALA H H 27 8.297 8.104 0.193 1
1 213 . 11 1 1 A 27 27 ALA HA H 27 4.183 4.284 -0.101 1
1 217 . 11 1 1 A 28 28 HIS H H 28 7.753 8.570 -0.817 1
1 218 . 11 1 1 A 28 28 HIS HA H 28 4.716 4.883 -0.167 1
1 223 . 11 1 1 A 29 29 SER H H 29 7.834 8.762 -0.928 1
1 224 . 11 1 1 A 29 29 SER HA H 29 4.599 3.945 0.654 1
1 227 . 11 1 1 A 30 30 LEU H H 30 8.548 7.958 0.590 1
1 228 . 11 1 1 A 30 30 LEU HA H 30 3.890 4.649 -0.759 1
1 238 . 11 1 1 A 31 31 ALA H H 31 8.494 8.278 0.216 1
1 239 . 11 1 1 A 31 31 ALA HA H 31 3.967 4.245 -0.278 1
1 4 . 12 1 1 A 2 2 VAL H H 2 8.686 8.413 0.273 1
1 5 . 12 1 1 A 2 2 VAL HA H 2 4.058 3.785 0.273 1
1 13 . 12 1 1 A 3 3 ARG H H 3 8.102 8.759 -0.657 1
1 14 . 12 1 1 A 3 3 ARG HA H 3 4.060 4.387 -0.327 1
1 22 . 12 1 1 A 4 4 LEU H H 4 7.956 7.446 0.510 1
1 23 . 12 1 1 A 4 4 LEU HA H 4 4.211 4.948 -0.737 1
1 32 . 12 1 1 A 5 5 ALA H H 5 7.815 9.031 -1.216 1
1 33 . 12 1 1 A 5 5 ALA HA H 5 4.080 3.965 0.115 1
1 37 . 12 1 1 A 6 6 LYS H H 6 8.331 7.789 0.542 1
1 38 . 12 1 1 A 6 6 LYS HA H 6 4.148 4.079 0.069 1
1 47 . 12 1 1 A 7 7 THR H H 7 7.897 7.937 -0.040 1
1 48 . 12 1 1 A 7 7 THR HA H 7 4.397 4.004 0.393 1
1 53 . 12 1 1 A 8 8 LEU H H 8 8.449 8.156 0.293 1
1 63 . 12 1 1 A 9 9 GLY H H 9 8.015 9.523 -1.508 1
1 64 . 12 1 1 A 9 9 GLY HA2 H 9 3.819 3.773 0.046 1
1 65 . 12 1 1 A 9 9 GLY HA3 H 9 3.874 3.774 0.100 1
1 66 . 12 1 1 A 10 10 LEU H H 10 7.608 9.360 -1.752 1
1 67 . 12 1 1 A 10 10 LEU HA H 10 4.306 3.984 0.322 1
1 76 . 12 1 1 A 11 11 VAL H H 11 7.919 7.864 0.055 1
1 77 . 12 1 1 A 11 11 VAL HA H 11 3.583 3.515 0.068 1
1 85 . 12 1 1 A 12 12 LEU H H 12 8.284 8.634 -0.350 1
1 86 . 12 1 1 A 12 12 LEU HA H 12 4.097 3.887 0.210 1
1 95 . 12 1 1 A 13 13 ALA H H 13 7.639 9.442 -1.803 1
1 96 . 12 1 1 A 13 13 ALA HA H 13 4.094 3.914 0.180 1
1 100 . 12 1 1 A 14 14 VAL H H 14 8.068 8.347 -0.279 1
1 101 . 12 1 1 A 14 14 VAL HA H 14 3.680 3.555 0.125 1
1 109 . 12 1 1 A 15 15 LEU H H 15 8.389 9.000 -0.611 1
1 110 . 12 1 1 A 15 15 LEU HA H 15 4.111 3.528 0.583 1
1 120 . 12 1 1 A 16 16 LEU H H 16 8.354 8.926 -0.572 1
1 121 . 12 1 1 A 16 16 LEU HA H 16 4.210 4.106 0.104 1
1 131 . 12 1 1 A 17 17 ILE H H 17 8.214 7.552 0.662 1
1 132 . 12 1 1 A 17 17 ILE HA H 17 3.908 3.956 -0.048 1
1 142 . 12 1 1 A 18 18 CYS H H 18 8.246 7.232 1.014 1
1 143 . 12 1 1 A 18 18 CYS HA H 18 4.289 4.373 -0.084 1
1 146 . 12 1 1 A 19 19 TRP H H 19 8.284 7.061 1.223 1
1 147 . 12 1 1 A 19 19 TRP HA H 19 4.872 3.715 1.157 1
1 156 . 12 1 1 A 20 20 PHE H H 20 8.548 8.499 0.049 1
1 157 . 12 1 1 A 20 20 PHE HA H 20 4.513 4.866 -0.353 1
1 164 . 12 1 1 A 21 21 PRO HA H 21 4.215 4.560 -0.345 1
1 171 . 12 1 1 A 22 22 VAL H H 22 7.204 8.006 -0.802 1
1 172 . 12 1 1 A 22 22 VAL HA H 22 3.738 4.257 -0.519 1
1 180 . 12 1 1 A 23 23 LEU H H 23 7.848 8.473 -0.625 1
1 181 . 12 1 1 A 23 23 LEU HA H 23 4.023 4.297 -0.274 1
1 191 . 12 1 1 A 24 24 ALA H H 24 8.296 8.184 0.112 1
1 192 . 12 1 1 A 24 24 ALA HA H 24 3.964 4.095 -0.131 1
1 196 . 12 1 1 A 25 25 LEU H H 25 7.768 8.240 -0.472 1
1 197 . 12 1 1 A 25 25 LEU HA H 25 4.160 3.911 0.249 1
1 206 . 12 1 1 A 26 26 MET H H 26 8.440 9.688 -1.248 1
1 207 . 12 1 1 A 26 26 MET HA H 26 4.152 4.220 -0.068 1
1 212 . 12 1 1 A 27 27 ALA H H 27 8.297 9.075 -0.778 1
1 213 . 12 1 1 A 27 27 ALA HA H 27 4.183 4.173 0.010 1
1 217 . 12 1 1 A 28 28 HIS H H 28 7.753 8.551 -0.798 1
1 218 . 12 1 1 A 28 28 HIS HA H 28 4.716 4.598 0.118 1
1 223 . 12 1 1 A 29 29 SER H H 29 7.834 8.860 -1.026 1
1 224 . 12 1 1 A 29 29 SER HA H 29 4.599 4.034 0.565 1
1 227 . 12 1 1 A 30 30 LEU H H 30 8.548 8.777 -0.229 1
1 228 . 12 1 1 A 30 30 LEU HA H 30 3.890 4.600 -0.710 1
1 238 . 12 1 1 A 31 31 ALA H H 31 8.494 8.711 -0.217 1
1 239 . 12 1 1 A 31 31 ALA HA H 31 3.967 4.337 -0.370 1
1 4 . 13 1 1 A 2 2 VAL H H 2 8.686 8.604 0.082 1
1 5 . 13 1 1 A 2 2 VAL HA H 2 4.058 3.698 0.360 1
1 13 . 13 1 1 A 3 3 ARG H H 3 8.102 8.094 0.008 1
1 14 . 13 1 1 A 3 3 ARG HA H 3 4.060 4.244 -0.184 1
1 22 . 13 1 1 A 4 4 LEU H H 4 7.956 7.273 0.683 1
1 23 . 13 1 1 A 4 4 LEU HA H 4 4.211 4.551 -0.340 1
1 32 . 13 1 1 A 5 5 ALA H H 5 7.815 10.033 -2.218 1
1 33 . 13 1 1 A 5 5 ALA HA H 5 4.080 3.984 0.096 1
1 37 . 13 1 1 A 6 6 LYS H H 6 8.331 7.653 0.678 1
1 38 . 13 1 1 A 6 6 LYS HA H 6 4.148 4.035 0.113 1
1 47 . 13 1 1 A 7 7 THR H H 7 7.897 8.164 -0.267 1
1 48 . 13 1 1 A 7 7 THR HA H 7 4.397 4.015 0.382 1
1 53 . 13 1 1 A 8 8 LEU H H 8 8.449 8.317 0.132 1
1 63 . 13 1 1 A 9 9 GLY H H 9 8.015 9.534 -1.519 1
1 64 . 13 1 1 A 9 9 GLY HA2 H 9 3.819 3.748 0.071 1
1 65 . 13 1 1 A 9 9 GLY HA3 H 9 3.874 3.749 0.125 1
1 66 . 13 1 1 A 10 10 LEU H H 10 7.608 9.551 -1.943 1
1 67 . 13 1 1 A 10 10 LEU HA H 10 4.306 3.976 0.330 1
1 76 . 13 1 1 A 11 11 VAL H H 11 7.919 8.487 -0.568 1
1 77 . 13 1 1 A 11 11 VAL HA H 11 3.583 3.519 0.064 1
1 85 . 13 1 1 A 12 12 LEU H H 12 8.284 9.082 -0.798 1
1 86 . 13 1 1 A 12 12 LEU HA H 12 4.097 3.850 0.247 1
1 95 . 13 1 1 A 13 13 ALA H H 13 7.639 9.713 -2.074 1
1 96 . 13 1 1 A 13 13 ALA HA H 13 4.094 3.928 0.166 1
1 100 . 13 1 1 A 14 14 VAL H H 14 8.068 8.464 -0.396 1
1 101 . 13 1 1 A 14 14 VAL HA H 14 3.680 3.504 0.176 1
1 109 . 13 1 1 A 15 15 LEU H H 15 8.389 9.270 -0.881 1
1 110 . 13 1 1 A 15 15 LEU HA H 15 4.111 3.497 0.614 1
1 120 . 13 1 1 A 16 16 LEU H H 16 8.354 8.678 -0.324 1
1 121 . 13 1 1 A 16 16 LEU HA H 16 4.210 4.160 0.050 1
1 131 . 13 1 1 A 17 17 ILE H H 17 8.214 8.109 0.105 1
1 132 . 13 1 1 A 17 17 ILE HA H 17 3.908 4.069 -0.161 1
1 142 . 13 1 1 A 18 18 CYS H H 18 8.246 7.271 0.975 1
1 143 . 13 1 1 A 18 18 CYS HA H 18 4.289 4.100 0.189 1
1 146 . 13 1 1 A 19 19 TRP H H 19 8.284 7.860 0.424 1
1 147 . 13 1 1 A 19 19 TRP HA H 19 4.872 3.628 1.244 1
1 156 . 13 1 1 A 20 20 PHE H H 20 8.548 8.489 0.059 1
1 157 . 13 1 1 A 20 20 PHE HA H 20 4.513 4.804 -0.291 1
1 164 . 13 1 1 A 21 21 PRO HA H 21 4.215 4.439 -0.224 1
1 171 . 13 1 1 A 22 22 VAL H H 22 7.204 7.229 -0.025 1
1 172 . 13 1 1 A 22 22 VAL HA H 22 3.738 3.547 0.191 1
1 180 . 13 1 1 A 23 23 LEU H H 23 7.848 7.764 0.084 1
1 181 . 13 1 1 A 23 23 LEU HA H 23 4.023 4.248 -0.225 1
1 191 . 13 1 1 A 24 24 ALA H H 24 8.296 8.045 0.251 1
1 192 . 13 1 1 A 24 24 ALA HA H 24 3.964 4.165 -0.201 1
1 196 . 13 1 1 A 25 25 LEU H H 25 7.768 7.891 -0.123 1
1 197 . 13 1 1 A 25 25 LEU HA H 25 4.160 3.887 0.273 1
1 206 . 13 1 1 A 26 26 MET H H 26 8.440 10.044 -1.604 1
1 207 . 13 1 1 A 26 26 MET HA H 26 4.152 4.122 0.030 1
1 212 . 13 1 1 A 27 27 ALA H H 27 8.297 8.478 -0.181 1
1 213 . 13 1 1 A 27 27 ALA HA H 27 4.183 4.158 0.025 1
1 217 . 13 1 1 A 28 28 HIS H H 28 7.753 8.738 -0.985 1
1 218 . 13 1 1 A 28 28 HIS HA H 28 4.716 4.679 0.037 1
1 223 . 13 1 1 A 29 29 SER H H 29 7.834 10.297 -2.463 1
1 224 . 13 1 1 A 29 29 SER HA H 29 4.599 4.033 0.566 1
1 227 . 13 1 1 A 30 30 LEU H H 30 8.548 8.219 0.329 1
1 228 . 13 1 1 A 30 30 LEU HA H 30 3.890 4.465 -0.575 1
1 238 . 13 1 1 A 31 31 ALA H H 31 8.494 9.146 -0.652 1
1 239 . 13 1 1 A 31 31 ALA HA H 31 3.967 3.935 0.032 1
1 4 . 14 1 1 A 2 2 VAL H H 2 8.686 8.470 0.216 1
1 5 . 14 1 1 A 2 2 VAL HA H 2 4.058 3.858 0.200 1
1 13 . 14 1 1 A 3 3 ARG H H 3 8.102 7.798 0.304 1
1 14 . 14 1 1 A 3 3 ARG HA H 3 4.060 4.712 -0.652 1
1 22 . 14 1 1 A 4 4 LEU H H 4 7.956 8.574 -0.618 1
1 23 . 14 1 1 A 4 4 LEU HA H 4 4.211 4.215 -0.004 1
1 32 . 14 1 1 A 5 5 ALA H H 5 7.815 8.948 -1.133 1
1 33 . 14 1 1 A 5 5 ALA HA H 5 4.080 3.943 0.137 1
1 37 . 14 1 1 A 6 6 LYS H H 6 8.331 8.191 0.140 1
1 38 . 14 1 1 A 6 6 LYS HA H 6 4.148 3.957 0.191 1
1 47 . 14 1 1 A 7 7 THR H H 7 7.897 8.049 -0.152 1
1 48 . 14 1 1 A 7 7 THR HA H 7 4.397 3.940 0.457 1
1 53 . 14 1 1 A 8 8 LEU H H 8 8.449 8.318 0.131 1
1 63 . 14 1 1 A 9 9 GLY H H 9 8.015 9.055 -1.040 1
1 64 . 14 1 1 A 9 9 GLY HA2 H 9 3.819 3.783 0.036 1
1 65 . 14 1 1 A 9 9 GLY HA3 H 9 3.874 3.784 0.090 1
1 66 . 14 1 1 A 10 10 LEU H H 10 7.608 8.148 -0.540 1
1 67 . 14 1 1 A 10 10 LEU HA H 10 4.306 3.973 0.333 1
1 76 . 14 1 1 A 11 11 VAL H H 11 7.919 7.936 -0.017 1
1 77 . 14 1 1 A 11 11 VAL HA H 11 3.583 3.510 0.073 1
1 85 . 14 1 1 A 12 12 LEU H H 12 8.284 8.045 0.239 1
1 86 . 14 1 1 A 12 12 LEU HA H 12 4.097 3.823 0.274 1
1 95 . 14 1 1 A 13 13 ALA H H 13 7.639 9.307 -1.668 1
1 96 . 14 1 1 A 13 13 ALA HA H 13 4.094 3.927 0.167 1
1 100 . 14 1 1 A 14 14 VAL H H 14 8.068 9.152 -1.084 1
1 101 . 14 1 1 A 14 14 VAL HA H 14 3.680 3.374 0.306 1
1 109 . 14 1 1 A 15 15 LEU H H 15 8.389 9.018 -0.629 1
1 110 . 14 1 1 A 15 15 LEU HA H 15 4.111 3.586 0.525 1
1 120 . 14 1 1 A 16 16 LEU H H 16 8.354 8.632 -0.278 1
1 121 . 14 1 1 A 16 16 LEU HA H 16 4.210 4.086 0.124 1
1 131 . 14 1 1 A 17 17 ILE H H 17 8.214 7.678 0.536 1
1 132 . 14 1 1 A 17 17 ILE HA H 17 3.908 4.123 -0.215 1
1 142 . 14 1 1 A 18 18 CYS H H 18 8.246 7.166 1.080 1
1 143 . 14 1 1 A 18 18 CYS HA H 18 4.289 4.178 0.111 1
1 146 . 14 1 1 A 19 19 TRP H H 19 8.284 8.103 0.181 1
1 147 . 14 1 1 A 19 19 TRP HA H 19 4.872 4.226 0.646 1
1 156 . 14 1 1 A 20 20 PHE H H 20 8.548 8.583 -0.035 1
1 157 . 14 1 1 A 20 20 PHE HA H 20 4.513 4.845 -0.332 1
1 164 . 14 1 1 A 21 21 PRO HA H 21 4.215 4.333 -0.118 1
1 171 . 14 1 1 A 22 22 VAL H H 22 7.204 7.314 -0.110 1
1 172 . 14 1 1 A 22 22 VAL HA H 22 3.738 3.646 0.092 1
1 180 . 14 1 1 A 23 23 LEU H H 23 7.848 8.081 -0.233 1
1 181 . 14 1 1 A 23 23 LEU HA H 23 4.023 4.365 -0.342 1
1 191 . 14 1 1 A 24 24 ALA H H 24 8.296 7.843 0.453 1
1 192 . 14 1 1 A 24 24 ALA HA H 24 3.964 4.073 -0.109 1
1 196 . 14 1 1 A 25 25 LEU H H 25 7.768 7.896 -0.128 1
1 197 . 14 1 1 A 25 25 LEU HA H 25 4.160 4.009 0.151 1
1 206 . 14 1 1 A 26 26 MET H H 26 8.440 10.138 -1.698 1
1 207 . 14 1 1 A 26 26 MET HA H 26 4.152 4.079 0.073 1
1 212 . 14 1 1 A 27 27 ALA H H 27 8.297 7.961 0.336 1
1 213 . 14 1 1 A 27 27 ALA HA H 27 4.183 4.287 -0.104 1
1 217 . 14 1 1 A 28 28 HIS H H 28 7.753 8.462 -0.709 1
1 218 . 14 1 1 A 28 28 HIS HA H 28 4.716 4.823 -0.107 1
1 223 . 14 1 1 A 29 29 SER H H 29 7.834 9.020 -1.186 1
1 224 . 14 1 1 A 29 29 SER HA H 29 4.599 4.356 0.243 1
1 227 . 14 1 1 A 30 30 LEU H H 30 8.548 8.592 -0.044 1
1 228 . 14 1 1 A 30 30 LEU HA H 30 3.890 4.530 -0.640 1
1 238 . 14 1 1 A 31 31 ALA H H 31 8.494 7.483 1.011 1
1 239 . 14 1 1 A 31 31 ALA HA H 31 3.967 4.322 -0.355 1
1 4 . 15 1 1 A 2 2 VAL H H 2 8.686 8.283 0.403 1
1 5 . 15 1 1 A 2 2 VAL HA H 2 4.058 3.847 0.211 1
1 13 . 15 1 1 A 3 3 ARG H H 3 8.102 7.905 0.197 1
1 14 . 15 1 1 A 3 3 ARG HA H 3 4.060 4.622 -0.562 1
1 22 . 15 1 1 A 4 4 LEU H H 4 7.956 7.729 0.227 1
1 23 . 15 1 1 A 4 4 LEU HA H 4 4.211 4.672 -0.461 1
1 32 . 15 1 1 A 5 5 ALA H H 5 7.815 9.108 -1.293 1
1 33 . 15 1 1 A 5 5 ALA HA H 5 4.080 3.994 0.086 1
1 37 . 15 1 1 A 6 6 LYS H H 6 8.331 8.423 -0.092 1
1 38 . 15 1 1 A 6 6 LYS HA H 6 4.148 3.984 0.164 1
1 47 . 15 1 1 A 7 7 THR H H 7 7.897 7.841 0.056 1
1 48 . 15 1 1 A 7 7 THR HA H 7 4.397 3.984 0.413 1
1 53 . 15 1 1 A 8 8 LEU H H 8 8.449 8.011 0.438 1
1 63 . 15 1 1 A 9 9 GLY H H 9 8.015 10.246 -2.231 1
1 64 . 15 1 1 A 9 9 GLY HA2 H 9 3.819 3.752 0.067 1
1 65 . 15 1 1 A 9 9 GLY HA3 H 9 3.874 3.753 0.121 1
1 66 . 15 1 1 A 10 10 LEU H H 10 7.608 9.179 -1.571 1
1 67 . 15 1 1 A 10 10 LEU HA H 10 4.306 3.985 0.321 1
1 76 . 15 1 1 A 11 11 VAL H H 11 7.919 8.465 -0.546 1
1 77 . 15 1 1 A 11 11 VAL HA H 11 3.583 3.513 0.070 1
1 85 . 15 1 1 A 12 12 LEU H H 12 8.284 9.078 -0.794 1
1 86 . 15 1 1 A 12 12 LEU HA H 12 4.097 3.959 0.138 1
1 95 . 15 1 1 A 13 13 ALA H H 13 7.639 9.283 -1.644 1
1 96 . 15 1 1 A 13 13 ALA HA H 13 4.094 3.907 0.187 1
1 100 . 15 1 1 A 14 14 VAL H H 14 8.068 8.498 -0.430 1
1 101 . 15 1 1 A 14 14 VAL HA H 14 3.680 3.499 0.181 1
1 109 . 15 1 1 A 15 15 LEU H H 15 8.389 9.292 -0.903 1
1 110 . 15 1 1 A 15 15 LEU HA H 15 4.111 3.558 0.553 1
1 120 . 15 1 1 A 16 16 LEU H H 16 8.354 8.912 -0.558 1
1 121 . 15 1 1 A 16 16 LEU HA H 16 4.210 4.126 0.084 1
1 131 . 15 1 1 A 17 17 ILE H H 17 8.214 7.813 0.401 1
1 132 . 15 1 1 A 17 17 ILE HA H 17 3.908 4.055 -0.147 1
1 142 . 15 1 1 A 18 18 CYS H H 18 8.246 7.214 1.032 1
1 143 . 15 1 1 A 18 18 CYS HA H 18 4.289 4.226 0.063 1
1 146 . 15 1 1 A 19 19 TRP H H 19 8.284 7.858 0.426 1
1 147 . 15 1 1 A 19 19 TRP HA H 19 4.872 3.724 1.148 1
1 156 . 15 1 1 A 20 20 PHE H H 20 8.548 8.287 0.261 1
1 157 . 15 1 1 A 20 20 PHE HA H 20 4.513 4.838 -0.325 1
1 164 . 15 1 1 A 21 21 PRO HA H 21 4.215 4.372 -0.157 1
1 171 . 15 1 1 A 22 22 VAL H H 22 7.204 7.251 -0.047 1
1 172 . 15 1 1 A 22 22 VAL HA H 22 3.738 3.589 0.149 1
1 180 . 15 1 1 A 23 23 LEU H H 23 7.848 7.856 -0.008 1
1 181 . 15 1 1 A 23 23 LEU HA H 23 4.023 4.327 -0.304 1
1 191 . 15 1 1 A 24 24 ALA H H 24 8.296 8.188 0.108 1
1 192 . 15 1 1 A 24 24 ALA HA H 24 3.964 4.106 -0.142 1
1 196 . 15 1 1 A 25 25 LEU H H 25 7.768 7.832 -0.064 1
1 197 . 15 1 1 A 25 25 LEU HA H 25 4.160 3.920 0.240 1
1 206 . 15 1 1 A 26 26 MET H H 26 8.440 9.874 -1.434 1
1 207 . 15 1 1 A 26 26 MET HA H 26 4.152 4.057 0.095 1
1 212 . 15 1 1 A 27 27 ALA H H 27 8.297 8.617 -0.320 1
1 213 . 15 1 1 A 27 27 ALA HA H 27 4.183 4.132 0.051 1
1 217 . 15 1 1 A 28 28 HIS H H 28 7.753 9.431 -1.678 1
1 218 . 15 1 1 A 28 28 HIS HA H 28 4.716 4.624 0.092 1
1 223 . 15 1 1 A 29 29 SER H H 29 7.834 10.074 -2.240 1
1 224 . 15 1 1 A 29 29 SER HA H 29 4.599 4.158 0.441 1
1 227 . 15 1 1 A 30 30 LEU H H 30 8.548 8.151 0.397 1
1 228 . 15 1 1 A 30 30 LEU HA H 30 3.890 4.491 -0.601 1
1 238 . 15 1 1 A 31 31 ALA H H 31 8.494 9.140 -0.646 1
1 239 . 15 1 1 A 31 31 ALA HA H 31 3.967 3.964 0.003 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 29 0.929 1
5 1 1 1 "RMS(OBS, PRED)" HA 30 0.370 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 29 0.866 1
11 1 2 1 "RMS(OBS, PRED)" HA 30 0.275 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 29 0.843 1
17 1 3 1 "RMS(OBS, PRED)" HA 30 0.374 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 29 1.051 1
23 1 4 1 "RMS(OBS, PRED)" HA 30 0.276 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 29 0.988 1
29 1 5 1 "RMS(OBS, PRED)" HA 30 0.359 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 29 0.884 1
35 1 6 1 "RMS(OBS, PRED)" HA 30 0.294 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 29 0.962 1
41 1 7 1 "RMS(OBS, PRED)" HA 30 0.362 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 29 0.807 1
47 1 8 1 "RMS(OBS, PRED)" HA 30 0.341 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 29 0.818 1
53 1 9 1 "RMS(OBS, PRED)" HA 30 0.345 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 29 0.888 1
59 1 10 1 "RMS(OBS, PRED)" HA 30 0.368 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 29 0.774 1
65 1 11 1 "RMS(OBS, PRED)" HA 30 0.367 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 29 0.852 1
71 1 12 1 "RMS(OBS, PRED)" HA 30 0.392 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 29 1.030 1
77 1 13 1 "RMS(OBS, PRED)" HA 30 0.356 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 29 0.742 1
83 1 14 1 "RMS(OBS, PRED)" HA 30 0.307 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 29 0.974 1
89 1 15 1 "RMS(OBS, PRED)" HA 30 0.350 1
90 1 15 1 "RMS(OBS, PRED)" N 0 0.000 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 4 . 1 1 A 2 2 VAL H H 2 8.686 8.562 0.124 2
1 5 . 1 1 A 2 2 VAL HA H 2 4.058 3.956 0.102 2
1 13 . 1 1 A 3 3 ARG H H 3 8.102 8.018 0.084 2
1 14 . 1 1 A 3 3 ARG HA H 3 4.060 4.576 -0.516 2
1 22 . 1 1 A 4 4 LEU H H 4 7.956 8.117 -0.161 2
1 23 . 1 1 A 4 4 LEU HA H 4 4.211 4.527 -0.316 2
1 32 . 1 1 A 5 5 ALA H H 5 7.815 9.031 -1.216 2
1 33 . 1 1 A 5 5 ALA HA H 5 4.080 4.042 0.038 2
1 37 . 1 1 A 6 6 LYS H H 6 8.331 7.993 0.338 2
1 38 . 1 1 A 6 6 LYS HA H 6 4.148 4.052 0.096 2
1 47 . 1 1 A 7 7 THR H H 7 7.897 8.181 -0.284 2
1 48 . 1 1 A 7 7 THR HA H 7 4.397 4.033 0.364 2
1 53 . 1 1 A 8 8 LEU H H 8 8.449 8.287 0.162 2
1 63 . 1 1 A 9 9 GLY H H 9 8.015 9.692 -1.677 2
1 64 . 1 1 A 9 9 GLY HA2 H 9 3.819 3.750 0.069 2
1 65 . 1 1 A 9 9 GLY HA3 H 9 3.874 3.750 0.124 2
1 66 . 1 1 A 10 10 LEU H H 10 7.608 8.822 -1.214 2
1 67 . 1 1 A 10 10 LEU HA H 10 4.306 3.984 0.322 2
1 76 . 1 1 A 11 11 VAL H H 11 7.919 8.141 -0.222 2
1 77 . 1 1 A 11 11 VAL HA H 11 3.583 3.518 0.065 2
1 85 . 1 1 A 12 12 LEU H H 12 8.284 8.827 -0.543 2
1 86 . 1 1 A 12 12 LEU HA H 12 4.097 3.888 0.209 2
1 95 . 1 1 A 13 13 ALA H H 13 7.639 9.280 -1.641 2
1 96 . 1 1 A 13 13 ALA HA H 13 4.094 3.961 0.133 2
1 100 . 1 1 A 14 14 VAL H H 14 8.068 8.695 -0.627 2
1 101 . 1 1 A 14 14 VAL HA H 14 3.680 3.505 0.175 2
1 109 . 1 1 A 15 15 LEU H H 15 8.389 9.046 -0.657 2
1 110 . 1 1 A 15 15 LEU HA H 15 4.111 3.598 0.513 2
1 120 . 1 1 A 16 16 LEU H H 16 8.354 8.537 -0.183 2
1 121 . 1 1 A 16 16 LEU HA H 16 4.210 4.121 0.089 2
1 131 . 1 1 A 17 17 ILE H H 17 8.214 7.713 0.501 2
1 132 . 1 1 A 17 17 ILE HA H 17 3.908 4.033 -0.125 2
1 142 . 1 1 A 18 18 CYS H H 18 8.246 7.257 0.989 2
1 143 . 1 1 A 18 18 CYS HA H 18 4.289 4.240 0.049 2
1 146 . 1 1 A 19 19 TRP H H 19 8.284 7.616 0.668 2
1 147 . 1 1 A 19 19 TRP HA H 19 4.872 3.941 0.931 2
1 156 . 1 1 A 20 20 PHE H H 20 8.548 8.450 0.098 2
1 157 . 1 1 A 20 20 PHE HA H 20 4.513 4.824 -0.311 2
1 164 . 1 1 A 21 21 PRO HA H 21 4.215 4.404 -0.189 2
1 171 . 1 1 A 22 22 VAL H H 22 7.204 7.323 -0.119 2
1 172 . 1 1 A 22 22 VAL HA H 22 3.738 3.664 0.074 2
1 180 . 1 1 A 23 23 LEU H H 23 7.848 7.988 -0.140 2
1 181 . 1 1 A 23 23 LEU HA H 23 4.023 4.301 -0.278 2
1 191 . 1 1 A 24 24 ALA H H 24 8.296 8.213 0.083 2
1 192 . 1 1 A 24 24 ALA HA H 24 3.964 4.132 -0.168 2
1 196 . 1 1 A 25 25 LEU H H 25 7.768 7.961 -0.193 2
1 197 . 1 1 A 25 25 LEU HA H 25 4.160 4.035 0.125 2
1 206 . 1 1 A 26 26 MET H H 26 8.440 10.070 -1.630 2
1 207 . 1 1 A 26 26 MET HA H 26 4.152 4.103 0.049 2
1 212 . 1 1 A 27 27 ALA H H 27 8.297 8.521 -0.224 2
1 213 . 1 1 A 27 27 ALA HA H 27 4.183 4.223 -0.040 2
1 217 . 1 1 A 28 28 HIS H H 28 7.753 8.775 -1.022 2
1 218 . 1 1 A 28 28 HIS HA H 28 4.716 4.746 -0.030 2
1 223 . 1 1 A 29 29 SER H H 29 7.834 9.318 -1.484 2
1 224 . 1 1 A 29 29 SER HA H 29 4.599 4.024 0.575 2
1 227 . 1 1 A 30 30 LEU H H 30 8.548 8.354 0.194 2
1 228 . 1 1 A 30 30 LEU HA H 30 3.890 4.430 -0.540 2
1 238 . 1 1 A 31 31 ALA H H 31 8.494 8.173 0.321 2
1 239 . 1 1 A 31 31 ALA HA H 31 3.967 4.202 -0.235 2
stop_
save_