data_nef_c19094_2m5z save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 19101 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 1 FME C 1 2 GLY N stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 FME start . . 2 A 2 GLY middle . false 3 A 3 ALA middle . . 4 A 4 ILE middle . . 5 A 5 ALA middle . . 6 A 6 LYS middle . . 7 A 7 LEU middle . . 8 A 8 VAL middle . . 9 A 9 ALA middle . . 10 A 10 LYS middle . . 11 A 11 PHE middle . . 12 A 12 GLY middle . false 13 A 13 TRP middle . . 14 A 14 PRO middle . false 15 A 15 ILE middle . . 16 A 16 VAL middle . . 17 A 17 LYS middle . . 18 A 18 LYS middle . . 19 A 19 TYR middle . . 20 A 20 TYR middle . . 21 A 21 LYS middle . . 22 A 22 GLN middle . . 23 A 23 ILE middle . . 24 A 24 MET middle . . 25 A 25 GLN middle . . 26 A 26 PHE middle . . 27 A 27 ILE middle . . 28 A 28 GLY middle . false 29 A 29 GLU middle . . 30 A 30 GLY middle . false 31 A 31 TRP middle . . 32 A 32 ALA middle . . 33 A 33 ILE middle . . 34 A 34 ASN middle . . 35 A 35 LYS middle . . 36 A 36 ILE middle . . 37 A 37 ILE middle . . 38 A 38 ASP middle . . 39 A 39 TRP middle . . 40 A 40 ILE middle . . 41 A 41 LYS middle . . 42 A 42 LYS middle . . 43 A 43 HIS middle . . 44 A 44 ILE end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 FME HA H 1 4.5213 0.01 A 1 FME HBy H 1 2.1538 0.01 A 1 FME HBx H 1 2.1000 0.01 A 1 FME HGy H 1 2.7386 0.01 A 1 FME HGx H 1 2.6218 0.01 A 2 GLY H H 1 8.8480 0.01 A 2 GLY HAy H 1 4.0081 0.01 A 3 ALA H H 1 8.1979 0.01 A 3 ALA HA H 1 4.0827 0.01 A 3 ALA HB% H 1 1.4414 0.01 A 4 ILE H H 1 7.9342 0.01 A 4 ILE HA H 1 3.6904 0.01 A 4 ILE HB H 1 2.2045 0.01 A 4 ILE HD1% H 1 0.7452 0.01 A 4 ILE HG1x H 1 1.5715 0.01 A 4 ILE HG2% H 1 0.9977 0.01 A 5 ALA H H 1 7.9807 0.01 A 5 ALA HA H 1 3.9750 0.01 A 5 ALA HB% H 1 1.4869 0.01 A 6 LYS H H 1 7.6873 0.01 A 6 LYS HA H 1 4.0771 0.01 A 6 LYS HBx H 1 1.8302 0.01 A 6 LYS HBy H 1 2.0244 0.01 A 6 LYS HGx H 1 1.4615 0.01 A 6 LYS HGy H 1 1.6234 0.01 A 7 LEU H H 1 8.1103 0.01 A 7 LEU HA H 1 4.1565 0.01 A 7 LEU HBx H 1 1.3801 0.01 A 7 LEU HBy H 1 2.2342 0.01 A 7 LEU HDx% H 1 0.9851 0.01 A 7 LEU HDy% H 1 0.9368 0.01 A 7 LEU HG H 1 2.1384 0.01 A 8 VAL H H 1 8.8622 0.01 A 8 VAL HA H 1 3.1151 0.01 A 8 VAL HB H 1 1.7916 0.01 A 8 VAL HGx% H 1 0.3837 0.01 A 8 VAL HGy% H 1 0.1656 0.01 A 9 ALA H H 1 7.7995 0.01 A 9 ALA HA H 1 4.0572 0.01 A 9 ALA HB% H 1 1.4611 0.01 A 10 LYS H H 1 7.1664 0.01 A 10 LYS HA H 1 4.0686 0.01 A 10 LYS HBx H 1 1.2968 0.01 A 10 LYS HBy H 1 1.5752 0.01 A 10 LYS HDx H 1 1.3242 0.01 A 10 LYS HDy H 1 1.4202 0.01 A 10 LYS HEx H 1 2.6437 0.01 A 10 LYS HEy H 1 2.8035 0.01 A 10 LYS HGx H 1 0.5546 0.01 A 10 LYS HGy H 1 0.5904 0.01 A 11 PHE H H 1 8.4623 0.01 A 11 PHE HA H 1 4.8320 0.01 A 11 PHE HBx H 1 2.7900 0.01 A 11 PHE HBy H 1 3.4216 0.01 A 11 PHE HDy H 1 7.4535 0.01 A 11 PHE HEy H 1 7.3220 0.01 A 11 PHE HZ H 1 7.4849 0.01 A 12 GLY H H 1 8.5194 0.01 A 12 GLY HAx H 1 3.9755 0.01 A 12 GLY HAy H 1 4.6755 0.01 A 13 TRP H H 1 9.1128 0.01 A 13 TRP HA H 1 4.6728 0.01 A 13 TRP HBx H 1 3.3084 0.01 A 13 TRP HBy H 1 3.3861 0.01 A 13 TRP HD1 H 1 7.3196 0.01 A 13 TRP HE1 H 1 10.1922 0.01 A 13 TRP HE3 H 1 7.6330 0.01 A 13 TRP HH2 H 1 7.1310 0.01 A 13 TRP HZ2 H 1 7.4720 0.01 A 13 TRP HZ3 H 1 6.9120 0.01 A 14 PRO HA H 1 4.1318 0.01 A 14 PRO HBx H 1 1.9531 0.01 A 14 PRO HBy H 1 2.3513 0.01 A 14 PRO HDx H 1 3.9318 0.01 A 14 PRO HDy H 1 4.1185 0.01 A 14 PRO HGx H 1 2.0396 0.01 A 14 PRO HGy H 1 2.2775 0.01 A 15 ILE H H 1 7.8969 0.01 A 15 ILE HA H 1 3.8272 0.01 A 15 ILE HB H 1 1.8828 0.01 A 15 ILE HD1% H 1 1.0838 0.01 A 15 ILE HG1x H 1 1.4545 0.01 A 15 ILE HG1y H 1 1.7960 0.01 A 15 ILE HG2% H 1 0.7721 0.01 A 16 VAL H H 1 7.3253 0.01 A 16 VAL HA H 1 3.4278 0.01 A 16 VAL HB H 1 2.0887 0.01 A 16 VAL HGx% H 1 0.9962 0.01 A 16 VAL HGy% H 1 0.9100 0.01 A 17 LYS H H 1 9.0755 0.01 A 17 LYS HA H 1 3.8379 0.01 A 17 LYS HBx H 1 1.4107 0.01 A 17 LYS HBy H 1 1.6067 0.01 A 17 LYS HDy H 1 1.5448 0.01 A 17 LYS HEy H 1 2.7455 0.01 A 17 LYS HGx H 1 1.3348 0.01 A 17 LYS HGy H 1 1.5534 0.01 A 18 LYS H H 1 7.6674 0.01 A 18 LYS HA H 1 3.8781 0.01 A 18 LYS HBx H 1 1.6943 0.01 A 18 LYS HBy H 1 1.7438 0.01 A 18 LYS HDx H 1 1.3602 0.01 A 18 LYS HDy H 1 1.4891 0.01 A 18 LYS HEy H 1 2.8294 0.01 A 18 LYS HGx H 1 0.3699 0.01 A 18 LYS HGy H 1 1.0236 0.01 A 19 TYR H H 1 7.4240 0.01 A 19 TYR HA H 1 5.2165 0.01 A 19 TYR HBx H 1 2.5095 0.01 A 19 TYR HBy H 1 3.6448 0.01 A 19 TYR HDx H 1 7.2828 0.01 A 19 TYR HEx H 1 6.7767 0.01 A 20 TYR H H 1 7.3845 0.01 A 20 TYR HA H 1 3.8413 0.01 A 20 TYR HBx H 1 2.8949 0.01 A 20 TYR HBy H 1 3.6183 0.01 A 20 TYR HDx H 1 6.9949 0.01 A 20 TYR HEx H 1 6.8239 0.01 A 21 LYS H H 1 8.4398 0.01 A 21 LYS HA H 1 3.7544 0.01 A 21 LYS HBx H 1 1.6367 0.01 A 21 LYS HBy H 1 1.7871 0.01 A 21 LYS HDy H 1 1.6581 0.01 A 21 LYS HEy H 1 2.9662 0.01 A 21 LYS HGx H 1 1.3192 0.01 A 21 LYS HGy H 1 1.5217 0.01 A 22 GLN H H 1 7.8990 0.01 A 22 GLN HA H 1 3.2232 0.01 A 22 GLN HBx H 1 0.8649 0.01 A 22 GLN HBy H 1 1.7574 0.01 A 22 GLN HE2y H 1 7.1073 0.01 A 22 GLN HE2x H 1 6.9124 0.01 A 22 GLN HGy H 1 2.2046 0.01 A 23 ILE H H 1 8.4164 0.01 A 23 ILE HA H 1 3.0668 0.01 A 23 ILE HB H 1 1.6464 0.01 A 23 ILE HD1% H 1 0.9414 0.01 A 23 ILE HG1y H 1 1.7401 0.01 A 23 ILE HG2% H 1 0.6646 0.01 A 24 MET H H 1 8.1069 0.01 A 24 MET HA H 1 4.1416 0.01 A 24 MET HBx H 1 1.7336 0.01 A 24 MET HBy H 1 1.8721 0.01 A 24 MET HGy H 1 2.3051 0.01 A 25 GLN H H 1 7.4033 0.01 A 25 GLN HA H 1 3.8338 0.01 A 25 GLN HBx H 1 1.6214 0.01 A 25 GLN HBy H 1 1.7365 0.01 A 25 GLN HE2y H 1 7.0744 0.01 A 25 GLN HE2x H 1 6.6614 0.01 A 25 GLN HGx H 1 1.8994 0.01 A 25 GLN HGy H 1 2.2457 0.01 A 26 PHE H H 1 7.8347 0.01 A 26 PHE HA H 1 3.6041 0.01 A 26 PHE HBx H 1 2.3132 0.01 A 26 PHE HBy H 1 2.5528 0.01 A 26 PHE HDy H 1 5.7245 0.01 A 26 PHE HEy H 1 5.6257 0.01 A 26 PHE HZ H 1 5.3644 0.01 A 27 ILE H H 1 8.6282 0.01 A 27 ILE HA H 1 3.7704 0.01 A 27 ILE HB H 1 1.8147 0.01 A 27 ILE HG2% H 1 0.8979 0.01 A 28 GLY H H 1 8.1346 0.01 A 28 GLY HAy H 1 3.9373 0.01 A 29 GLU H H 1 7.6799 0.01 A 29 GLU HA H 1 4.4438 0.01 A 29 GLU HBy H 1 2.1437 0.01 A 29 GLU HGx H 1 2.4206 0.01 A 29 GLU HGy H 1 2.5757 0.01 A 30 GLY H H 1 8.0405 0.01 A 30 GLY HAx H 1 3.9310 0.01 A 30 GLY HAy H 1 4.2629 0.01 A 31 TRP H H 1 8.3985 0.01 A 31 TRP HA H 1 4.4462 0.01 A 31 TRP HBx H 1 2.7367 0.01 A 31 TRP HBy H 1 3.0196 0.01 A 31 TRP HD1 H 1 7.0252 0.01 A 31 TRP HE1 H 1 10.0284 0.01 A 31 TRP HE3 H 1 6.5048 0.01 A 31 TRP HH2 H 1 6.5421 0.01 A 31 TRP HZ2 H 1 7.1778 0.01 A 31 TRP HZ3 H 1 5.8791 0.01 A 32 ALA H H 1 8.4566 0.01 A 32 ALA HA H 1 4.4281 0.01 A 32 ALA HB% H 1 1.5666 0.01 A 33 ILE H H 1 8.8829 0.01 A 33 ILE HA H 1 3.9420 0.01 A 33 ILE HB H 1 2.0524 0.01 A 33 ILE HD1% H 1 1.0109 0.01 A 33 ILE HG1x H 1 1.4696 0.01 A 33 ILE HG1y H 1 1.5638 0.01 A 33 ILE HG2% H 1 1.0076 0.01 A 34 ASN H H 1 8.7058 0.01 A 34 ASN HA H 1 4.4328 0.01 A 34 ASN HBx H 1 2.8014 0.01 A 34 ASN HBy H 1 2.8197 0.01 A 34 ASN HD2y H 1 7.6532 0.01 A 34 ASN HD2x H 1 6.8912 0.01 A 35 LYS H H 1 7.2483 0.01 A 35 LYS HA H 1 4.1305 0.01 A 35 LYS HBy H 1 1.7921 0.01 A 35 LYS HDx H 1 0.6509 0.01 A 35 LYS HDy H 1 1.4202 0.01 A 35 LYS HEy H 1 1.9645 0.01 A 35 LYS HGx H 1 0.8935 0.01 A 35 LYS HGy H 1 1.1966 0.01 A 36 ILE H H 1 7.8490 0.01 A 36 ILE HA H 1 3.8204 0.01 A 36 ILE HB H 1 2.2432 0.01 A 36 ILE HG2% H 1 1.1213 0.01 A 37 ILE H H 1 8.8698 0.01 A 37 ILE HA H 1 3.7787 0.01 A 37 ILE HB H 1 2.0866 0.01 A 37 ILE HG2% H 1 1.1207 0.01 A 38 ASP H H 1 7.9146 0.01 A 38 ASP HA H 1 4.4246 0.01 A 38 ASP HBx H 1 2.7300 0.01 A 38 ASP HBy H 1 2.8457 0.01 A 39 TRP H H 1 7.9997 0.01 A 39 TRP HA H 1 4.1162 0.01 A 39 TRP HBx H 1 3.4130 0.01 A 39 TRP HBy H 1 3.6775 0.01 A 39 TRP HD1 H 1 7.4468 0.01 A 39 TRP HE1 H 1 10.3599 0.01 A 39 TRP HE3 H 1 7.0495 0.01 A 39 TRP HH2 H 1 6.6017 0.01 A 39 TRP HZ2 H 1 7.1299 0.01 A 39 TRP HZ3 H 1 5.9847 0.01 A 40 ILE H H 1 9.0712 0.01 A 40 ILE HA H 1 3.1838 0.01 A 40 ILE HB H 1 1.7553 0.01 A 40 ILE HD1% H 1 0.7593 0.01 A 40 ILE HG1x H 1 0.9369 0.01 A 40 ILE HG1y H 1 2.1639 0.01 A 40 ILE HG2% H 1 -0.1345 0.01 A 41 LYS H H 1 8.6043 0.01 A 41 LYS HA H 1 3.9093 0.01 A 41 LYS HBx H 1 1.9978 0.01 A 41 LYS HBy H 1 2.0856 0.01 A 41 LYS HDx H 1 1.8011 0.01 A 41 LYS HDy H 1 1.8583 0.01 A 41 LYS HEx H 1 3.0022 0.01 A 41 LYS HEy H 1 3.0634 0.01 A 41 LYS HGy H 1 1.6926 0.01 A 42 LYS H H 1 7.3088 0.01 A 42 LYS HA H 1 4.0799 0.01 A 42 LYS HBx H 1 1.3468 0.01 A 42 LYS HBy H 1 1.5013 0.01 A 42 LYS HDy H 1 1.5343 0.01 A 42 LYS HEy H 1 2.8932 0.01 A 42 LYS HGx H 1 1.3466 0.01 A 42 LYS HGy H 1 1.4364 0.01 A 43 HIS H H 1 7.9135 0.01 A 43 HIS HA H 1 4.2923 0.01 A 43 HIS HBx H 1 1.9376 0.01 A 43 HIS HBy H 1 3.2272 0.01 A 43 HIS HD2 H 1 6.9107 0.01 A 43 HIS HE1 H 1 7.1315 0.01 A 44 ILE H H 1 7.1476 0.01 A 44 ILE HA H 1 4.3608 0.01 A 44 ILE HB H 1 2.0783 0.01 A 44 ILE HD1% H 1 0.9800 0.01 A 44 ILE HG1x H 1 1.3809 0.01 A 44 ILE HG1y H 1 1.5023 0.01 A 44 ILE HG2% H 1 0.9885 0.01 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 13 TRP HE1 A 8 VAL HGx% 1.0 . 3.82 2 2 A 31 TRP H A 31 TRP HE1 1.0 . 5.50 3 3 A 31 TRP HE1 A 26 PHE HDx 1.0 . 5.50 4 4 A 31 TRP HE1 A 31 TRP HA 1.0 . 5.50 5 5 A 31 TRP HE1 A 26 PHE HA 1.0 . 4.97 6 6 A 31 TRP HE1 A 29 GLU HGx 1.0 . 5.50 7 7 A 31 TRP HE1 A 29 GLU HGy 1.0 . 5.50 8 8 A 26 PHE HEx A 39 TRP HZ2 1.0 . 4.86 9 9 A 31 TRP HZ3 A 39 TRP HD1 1.0 . 3.82 10 10 A 26 PHE HEx A 39 TRP HD1 1.0 . 4.72 11 11 A 26 PHE HDx A 26 PHE H 1.0 . 3.81 12 12 A 26 PHE HDx A 27 ILE H 1.0 . 5.06 13 13 A 26 PHE HDx A 31 TRP HE3 1.0 . 4.90 14 14 A 26 PHE HDx A 23 ILE HG2% 1.0 . 4.72 15 15 A 34 ASN H A 35 LYS H 1.0 . 3.47 16 16 A 31 TRP HE3 A 35 LYS HBx 1.0 . 4.23 17 17 A 31 TRP HE3 A 36 ILE HG2% 1.0 . 4.96 18 18 A 31 TRP HE3 A 36 ILE HG2% 1.0 . 5.23 19 19 A 41 LYS H A 42 LYS H 1.0 . 3.39 20 20 A 41 LYS H A 11 PHE HZ 1.0 . 4.18 21 21 A 41 LYS H A 40 ILE H 1.0 . 3.34 22 22 A 16 VAL H A 17 LYS H 1.0 . 3.27 23 23 A 13 TRP H A 13 TRP HBx 1.0 . 3.47 24 24 A 13 TRP H A 13 TRP HBy 1.0 . 3.73 25 25 A 13 TRP H A 8 VAL HGx% 1.0 . 3.90 26 26 A 13 TRP H A 8 VAL HGy% 1.0 . 5.50 27 27 A 7 LEU HBx A 8 VAL HGy% 1.0 . 5.50 28 28 A 8 VAL HGy% A 9 ALA H 1.0 . 4.94 29 29 A 8 VAL HGy% A 9 ALA H 1.0 . 5.20 30 30 A 13 TRP HE1 A 8 VAL HGy% 1.0 . 5.50 31 31 A 13 TRP HE1 A 8 VAL HGy% 1.0 . 5.50 32 32 A 40 ILE H A 40 ILE HG2% 1.0 . 4.84 33 33 A 40 ILE H A 40 ILE HG2% 1.0 . 5.20 34 34 A 40 ILE HG2% A 43 HIS H 1.0 . 5.50 35 35 A 40 ILE HG2% A 43 HIS H 1.0 . 5.50 36 36 A 40 ILE HG2% A 11 PHE HDx 1.0 . 4.96 37 37 A 40 ILE HG2% A 11 PHE HDx 1.0 . 5.21 38 38 A 40 ILE HG2% A 11 PHE HEx 1.0 . 4.88 39 39 A 40 ILE HG2% A 11 PHE HEx 1.0 . 5.30 40 40 A 40 ILE HG2% A 39 TRP HZ3 1.0 . 5.50 41 41 A 40 ILE HG2% A 11 PHE HBy 1.0 . 5.23 42 42 A 40 ILE HG2% A 11 PHE HBy 1.0 . 5.50 43 43 A 40 ILE HG2% A 44 ILE HG2% 1.0 . 3.71 44 44 A 40 ILE HG2% A 44 ILE HG2% 1.0 . 3.58 45 45 A 40 ILE HG2% A 40 ILE HD1% 1.0 . 2.92 46 46 A 8 VAL H A 8 VAL HGx% 1.0 . 5.50 47 47 A 9 ALA H A 8 VAL HGx% 1.0 . 4.23 48 48 A 8 VAL HGx% A 13 TRP HD1 1.0 . 4.58 49 49 A 8 VAL HGx% A 5 ALA HA 1.0 . 5.10 50 50 A 8 VAL HGx% A 5 ALA HA 1.0 . 5.32 51 51 A 13 TRP HBx A 8 VAL HGx% 1.0 . 4.88 52 52 A 8 VAL HGx% A 8 VAL HA 1.0 . 3.59 53 53 A 8 VAL HGx% A 16 VAL HGx% 1.0 . 5.44 54 54 A 8 VAL HGx% A 16 VAL HGx% 1.0 . 5.50 55 55 A 8 VAL HGy% A 8 VAL HGx% 1.0 . 3.37 56 56 A 8 VAL HGy% A 8 VAL HGx% 1.0 . 3.37 57 57 A 8 VAL HGy% A 8 VAL HGx% 1.0 . 3.47 58 58 A 40 ILE HG2% A 19 TYR HEx 1.0 . 4.68 59 59 A 40 ILE HG2% A 19 TYR HEx 1.0 . 5.24 60 60 A 8 VAL HGy% A 13 TRP HZ3 1.0 . 4.63 61 61 A 8 VAL HGy% A 13 TRP HZ3 1.0 . 4.87 62 62 A 8 VAL HGy% A 13 TRP HH2 1.0 . 4.58 63 63 A 8 VAL HGy% A 13 TRP HH2 1.0 . 5.17 64 64 A 40 ILE HG2% A 19 TYR HDx 1.0 . 4.56 65 65 A 40 ILE HG2% A 19 TYR HDx 1.0 . 4.85 66 66 A 11 PHE HZ A 40 ILE HG2% 1.0 . 4.22 67 67 A 8 VAL HGy% A 13 TRP HZ2 1.0 . 4.63 68 68 A 8 VAL HGy% A 13 TRP HE3 1.0 . 3.61 69 69 A 8 VAL HGx% A 13 TRP HE3 1.0 . 4.81 70 70 A 8 VAL HGx% A 13 TRP HE3 1.0 . 5.33 71 71 A 8 VAL HGx% A 13 TRP HZ2 1.0 . 4.62 72 72 A 8 VAL HGx% A 13 TRP HD1 1.0 . 4.03 73 73 A 37 ILE HG2% A 38 ASP H 1.0 . 4.16 74 74 A 37 ILE HG2% A 38 ASP H 1.0 . 4.32 75 75 A 35 LYS H A 32 ALA HB% 1.0 . 4.20 76 76 A 44 ILE H A 44 ILE HG1y 1.0 . 4.23 77 77 A 10 LYS H A 10 LYS HBy 1.0 . 3.57 78 78 A 10 LYS H A 10 LYS HBx 1.0 . 3.57 79 79 A 44 ILE H A 44 ILE HG1x 1.0 . 4.23 80 80 A 20 TYR HDx A 23 ILE HB 1.0 . 4.68 81 81 A 39 TRP HE3 A 40 ILE HG1x 1.0 . 4.78 82 82 A 13 TRP HH2 A 4 ILE HB 1.0 . 5.50 83 83 A 44 ILE H A 44 ILE HB 1.0 . 4.00 84 84 A 31 TRP HD1 A 29 GLU HGx 1.0 . 4.48 85 85 A 39 TRP HE3 A 39 TRP HBy 1.0 . 3.86 86 86 A 27 ILE HG2% A 26 PHE HBy 1.0 . 4.13 87 87 A 27 ILE HG2% A 26 PHE HBx 1.0 . 4.13 88 88 A 8 VAL HA A 16 VAL HGx% 1.0 . 3.88 89 89 A 8 VAL HA A 16 VAL HGx% 1.0 . 4.08 90 90 A 11 PHE HBy A 15 ILE HD1% 1.0 . 5.47 91 91 A 11 PHE HBy A 15 ILE HD1% 1.0 . 5.50 92 92 A 4 ILE HA A 4 ILE HG2% 1.0 . 3.51 93 93 A 4 ILE HA A 7 LEU HDy% 1.0 . 4.15 94 94 A 4 ILE HA A 7 LEU HDy% 1.0 . 3.90 95 95 A 4 ILE HA A 4 ILE HD1% 1.0 . 3.49 96 96 A 4 ILE HA A 4 ILE HD1% 1.0 . 3.79 97 97 A 44 ILE HA A 44 ILE HG2% 1.0 . 3.56 98 98 A 44 ILE HA A 44 ILE HG2% 1.0 . 3.94 99 99 A 33 ILE HG2% A 34 ASN HA 1.0 . 4.21 100 100 A 33 ILE HG2% A 34 ASN HA 1.0 . 4.62 101 101 A 37 ILE HG2% A 38 ASP HA 1.0 . 4.42 102 102 A 37 ILE HG2% A 38 ASP HA 1.0 . 4.67 103 103 A 20 TYR HDx A 4 ILE HG2% 1.0 . 4.02 104 104 A 37 ILE HG2% A 37 ILE H 1.0 . 4.79 105 105 A 37 ILE HG2% A 37 ILE H 1.0 . 5.18 106 106 A 34 ASN H A 32 ALA HB% 1.0 . 4.28 107 107 A 34 ASN H A 32 ALA HB% 1.0 . 4.54 108 108 A 41 LYS H A 41 LYS HBx 1.0 . 3.61 109 109 A 11 PHE H A 11 PHE HBx 1.0 . 3.61 110 110 A 27 ILE H A 26 PHE HBx 1.0 . 4.24 111 111 A 31 TRP HBy A 32 ALA H 1.0 . 4.03 112 112 A 31 TRP H A 31 TRP HBy 1.0 . 4.10 113 113 A 11 PHE HBy A 12 GLY H 1.0 . 4.94 114 114 A 19 TYR HBy A 23 ILE H 1.0 . 4.84 115 115 A 40 ILE H A 39 TRP HE3 1.0 . 3.73 116 116 A 8 VAL H A 10 LYS H 1.0 . 4.59 117 117 A 35 LYS H A 37 ILE H 1.0 . 4.48 118 118 A 20 TYR H A 21 LYS H 1.0 . 3.50 119 119 A 11 PHE HDx A 11 PHE H 1.0 . 3.71 120 120 A 31 TRP HE3 A 36 ILE H 1.0 . 4.39 121 121 A 31 TRP HZ3 A 39 TRP HBx 1.0 . 3.60 122 122 A 23 ILE HB A 20 TYR HEx 1.0 . 5.03 123 123 A 19 TYR HEx A 44 ILE HG2% 1.0 . 3.55 124 124 A 4 ILE HG2% A 20 TYR HEx 1.0 . 3.61 125 125 A 20 TYR HDx A 23 ILE HD1% 1.0 . 4.62 126 126 A 39 TRP HE3 A 40 ILE HG1y 1.0 . 3.68 127 127 A 19 TYR HDx A 44 ILE HG2% 1.0 . 5.50 128 128 A 19 TYR HDx A 44 ILE HG2% 1.0 . 5.50 129 129 A 19 TYR HDx A 44 ILE HG2% 1.0 . 5.50 130 130 A 19 TYR HDx A 15 ILE HD1% 1.0 . 5.33 131 131 A 20 TYR H A 23 ILE HD1% 1.0 . 4.39 132 132 A 11 PHE HDx A 7 LEU HDx% 1.0 . 3.35 133 133 A 11 PHE HDx A 15 ILE HG2% 1.0 . 4.57 134 134 A 11 PHE HZ A 37 ILE HG2% 1.0 . 3.24 135 135 A 40 ILE H A 39 TRP H 1.0 . 3.37 136 136 A 37 ILE H A 39 TRP H 1.0 . 4.57 137 137 A 41 LYS H A 39 TRP H 1.0 . 4.81 138 138 A 38 ASP H A 39 TRP H 1.0 . 3.54 139 139 A 31 TRP HZ3 A 39 TRP H 1.0 . 4.93 140 140 A 39 TRP H A 36 ILE HA 1.0 . 3.99 141 141 A 39 TRP H A 38 ASP HBx 1.0 . 4.13 142 142 A 39 TRP HD1 A 39 TRP H 1.0 . 5.14 143 143 A 39 TRP HD1 A 31 TRP HH2 1.0 . 3.55 144 144 A 11 PHE HDx A 11 PHE HA 1.0 . 4.65 145 145 A 13 TRP HBy A 13 TRP HD1 1.0 . 3.62 146 146 A 20 TYR H A 20 TYR HBy 1.0 . 3.25 147 147 A 11 PHE HEx A 40 ILE HB 1.0 . 4.06 148 148 A 16 VAL H A 15 ILE HB 1.0 . 3.84 149 149 A 11 PHE HZ A 41 LYS HBy 1.0 . 4.61 150 150 A 11 PHE HZ A 40 ILE HB 1.0 . 4.10 151 151 A 25 GLN H A 25 GLN HBy 1.0 . 3.62 152 152 A 35 LYS H A 35 LYS HBx 1.0 . 3.45 153 153 A 11 PHE HEx A 37 ILE HG2% 1.0 . 3.45 154 154 A 11 PHE HEx A 7 LEU HDx% 1.0 . 3.23 155 155 A 16 VAL H A 16 VAL HGy% 1.0 . 3.66 156 156 A 16 VAL H A 16 VAL HGy% 1.0 . 3.73 157 157 A 11 PHE HEx A 40 ILE HD1% 1.0 . 3.45 158 158 A 19 TYR HDx A 15 ILE HG2% 1.0 . 3.64 159 159 A 8 VAL HGy% A 7 LEU H 1.0 . 5.15 160 160 A 8 VAL HGy% A 5 ALA H 1.0 . 5.50 161 161 A 8 VAL HGy% A 5 ALA H 1.0 . 5.50 162 162 A 23 ILE HG2% A 24 MET H 1.0 . 4.11 163 163 A 23 ILE HG2% A 24 MET H 1.0 . 4.51 164 164 A 17 LYS H A 17 LYS HBy 1.0 . 3.74 165 165 A 17 LYS H A 17 LYS HGx 1.0 . 4.37 166 166 A 17 LYS H A 17 LYS HBx 1.0 . 3.74 167 167 A 32 ALA HB% A 33 ILE H 1.0 . 3.57 168 168 A 32 ALA HB% A 33 ILE H 1.0 . 3.99 169 169 A 34 ASN H A 33 ILE HB 1.0 . 4.29 170 170 A 41 LYS H A 41 LYS HBy 1.0 . 3.61 171 171 A 41 LYS H A 38 ASP HA 1.0 . 4.25 172 172 A 41 LYS H A 37 ILE HA 1.0 . 4.90 173 173 A 8 VAL H A 4 ILE HA 1.0 . 5.33 174 174 A 4 ILE HA A 7 LEU H 1.0 . 4.48 175 175 A 11 PHE HBy A 15 ILE H 1.0 . 5.49 176 176 A 26 PHE H A 23 ILE HA 1.0 . 4.22 177 177 A 38 ASP H A 38 ASP HBx 1.0 . 3.71 178 178 A 29 GLU H A 29 GLU HGx 1.0 . 4.83 179 179 A 29 GLU H A 29 GLU HGy 1.0 . 4.83 180 180 A 15 ILE H A 14 PRO HBx 1.0 . 4.47 181 181 A 4 ILE HB A 4 ILE H 1.0 . 3.29 182 182 A 38 ASP H A 37 ILE HB 1.0 . 3.43 183 183 A 9 ALA H A 8 VAL HB 1.0 . 3.58 184 184 A 26 PHE H A 25 GLN HBx 1.0 . 4.30 185 185 A 26 PHE H A 25 GLN HBy 1.0 . 4.30 186 186 A 9 ALA H A 9 ALA HB% 1.0 . 2.95 187 187 A 36 ILE HG2% A 36 ILE H 1.0 . 4.40 188 188 A 16 VAL HGx% A 13 TRP HE3 1.0 . 5.50 189 189 A 16 VAL HGx% A 13 TRP HE3 1.0 . 5.50 190 190 A 13 TRP HE3 A 16 VAL HGy% 1.0 . 4.24 191 191 A 13 TRP HE3 A 16 VAL HGy% 1.0 . 4.82 192 192 A 13 TRP HE3 A 16 VAL HGy% 1.0 . 4.70 193 193 A 13 TRP HE3 A 17 LYS HGy 1.0 . 4.58 194 194 A 13 TRP HE3 A 17 LYS HGx 1.0 . 4.58 195 195 A 20 TYR HDx A 20 TYR HBy 1.0 . 3.71 196 196 A 39 TRP HE3 A 40 ILE HA 1.0 . 3.30 197 197 A 20 TYR HDx A 20 TYR HBx 1.0 . 3.71 198 198 A 43 HIS HA A 43 HIS HD2 1.0 . 3.83 199 199 A 31 TRP HA A 31 TRP HD1 1.0 . 3.22 200 200 A 39 TRP HZ3 A 40 ILE HA 1.0 . 4.55 201 201 A 39 TRP HZ3 A 19 TYR HBy 1.0 . 4.35 202 202 A 39 TRP HZ3 A 23 ILE HD1% 1.0 . 4.76 203 203 A 39 TRP HZ3 A 40 ILE HG1y 1.0 . 4.95 204 204 A 19 TYR HDx A 19 TYR HA 1.0 . 4.08 205 205 A 8 VAL H A 7 LEU HBy 1.0 . 4.37 206 206 A 4 ILE HG2% A 5 ALA H 1.0 . 4.80 207 207 A 4 ILE HG2% A 5 ALA H 1.0 . 5.31 208 208 A 27 ILE HG2% A 28 GLY H 1.0 . 5.39 209 209 A 34 ASN H A 33 ILE HG2% 1.0 . 4.49 210 210 A 34 ASN H A 33 ILE HG2% 1.0 . 5.03 211 211 A 19 TYR HDx A 19 TYR HBx 1.0 . 3.33 212 212 A 11 PHE HEx A 11 PHE HBx 1.0 . 4.72 213 213 A 8 VAL HGy% A 16 VAL HB 1.0 . 4.72 214 214 A 8 VAL HGy% A 16 VAL HB 1.0 . 4.84 215 215 A 8 VAL HGy% A 8 VAL HA 1.0 . 3.65 216 216 A 8 VAL HGy% A 8 VAL HA 1.0 . 3.95 217 217 A 36 ILE H A 31 TRP HBx 1.0 . 5.50 218 218 A 39 TRP H A 38 ASP HBy 1.0 . 4.13 219 219 A 38 ASP H A 38 ASP HBy 1.0 . 3.71 220 220 A 11 PHE HBx A 15 ILE HB 1.0 . 4.61 221 221 A 23 ILE HD1% A 19 TYR HBx 1.0 . 3.87 222 222 A 31 TRP HE3 A 26 PHE HBy 1.0 . 4.90 223 223 A 39 TRP HBx A 39 TRP H 1.0 . 3.37 224 224 A 26 PHE H A 25 GLN H 1.0 . 3.36 225 225 A 19 TYR HDx A 18 LYS H 1.0 . 4.58 226 226 A 19 TYR HDx A 19 TYR H 1.0 . 4.42 227 227 A 20 TYR HDx A 20 TYR H 1.0 . 4.80 228 228 A 36 ILE H A 33 ILE HA 1.0 . 4.86 229 229 A 43 HIS H A 41 LYS HA 1.0 . 4.83 230 230 A 27 ILE HA A 30 GLY H 1.0 . 4.55 231 231 A 31 TRP HA A 30 GLY H 1.0 . 5.12 232 232 A 24 MET H A 20 TYR HA 1.0 . 4.28 233 233 A 28 GLY H A 25 GLN HA 1.0 . 4.05 234 234 A 29 GLU H A 27 ILE HA 1.0 . 4.88 235 235 A 19 TYR H A 16 VAL HA 1.0 . 4.54 236 236 A 20 TYR H A 20 TYR HBx 1.0 . 3.25 237 237 A 35 LYS H A 35 LYS HGx 1.0 . 4.84 238 238 A 13 TRP HH2 A 4 ILE HG2% 1.0 . 4.82 239 239 A 16 VAL H A 8 VAL HGy% 1.0 . 4.96 240 240 A 7 LEU H A 7 LEU HDy% 1.0 . 4.60 241 241 A 7 LEU H A 7 LEU HDy% 1.0 . 4.26 242 242 A 27 ILE HG2% A 28 GLY H 1.0 . 4.49 243 243 A 8 VAL HGx% A 12 GLY H 1.0 . 4.71 244 244 A 8 VAL H A 8 VAL HGx% 1.0 . 4.76 245 245 A 8 VAL H A 8 VAL HGx% 1.0 . 5.13 246 246 A 8 VAL HGy% A 8 VAL H 1.0 . 3.22 247 247 A 40 ILE H A 40 ILE HD1% 1.0 . 4.80 248 248 A 40 ILE H A 40 ILE HD1% 1.0 . 4.99 249 249 A 17 LYS H A 16 VAL HGy% 1.0 . 4.59 250 250 A 17 LYS H A 16 VAL HGy% 1.0 . 5.22 251 251 A 17 LYS H A 16 VAL HGy% 1.0 . 5.09 252 252 A 40 ILE HD1% A 37 ILE H 1.0 . 5.50 253 253 A 40 ILE HD1% A 37 ILE H 1.0 . 5.50 254 254 A 40 ILE H A 37 ILE HG2% 1.0 . 5.43 255 255 A 37 ILE HG2% A 37 ILE H 1.0 . 5.50 256 256 A 17 LYS H A 17 LYS HGy 1.0 . 4.37 257 257 A 41 LYS H A 40 ILE HD1% 1.0 . 4.93 258 258 A 41 LYS H A 37 ILE HG2% 1.0 . 4.48 259 259 A 27 ILE H A 27 ILE HG2% 1.0 . 3.65 260 260 A 27 ILE H A 23 ILE HA 1.0 . 4.90 261 261 A 13 TRP H A 8 VAL HA 1.0 . 5.23 262 262 A 11 PHE H A 7 LEU HA 1.0 . 5.18 263 263 A 31 TRP H A 27 ILE HA 1.0 . 4.33 264 264 A 23 ILE H A 20 TYR HA 1.0 . 4.26 265 265 A 8 VAL HA A 12 GLY H 1.0 . 3.69 266 266 A 8 VAL HA A 11 PHE H 1.0 . 4.44 267 267 A 31 TRP H A 31 TRP HBx 1.0 . 3.53 268 268 A 32 ALA HB% A 32 ALA H 1.0 . 3.45 269 269 A 32 ALA HB% A 32 ALA H 1.0 . 3.60 270 270 A 21 LYS H A 21 LYS HBy 1.0 . 3.79 271 271 A 23 ILE HB A 23 ILE H 1.0 . 3.25 272 272 A 21 LYS H A 21 LYS HBx 1.0 . 3.79 273 273 A 21 LYS H A 21 LYS HGx 1.0 . 4.88 274 274 A 41 LYS H A 40 ILE HB 1.0 . 3.53 275 275 A 31 TRP H A 27 ILE HG2% 1.0 . 5.19 276 276 A 23 ILE H A 23 ILE HG2% 1.0 . 4.43 277 277 A 34 ASN H A 36 ILE H 1.0 . 5.40 278 278 A 37 ILE H A 36 ILE H 1.0 . 3.26 279 279 A 23 ILE H A 25 GLN H 1.0 . 5.22 280 280 A 20 TYR HDx A 21 LYS H 1.0 . 4.71 281 281 A 25 GLN H A 24 MET H 1.0 . 3.39 282 282 A 5 ALA H A 6 LYS H 1.0 . 3.43 283 283 A 29 GLU H A 30 GLY H 1.0 . 3.39 284 284 A 19 TYR HA A 22 GLN H 1.0 . 4.98 285 285 A 20 TYR H A 19 TYR HBx 1.0 . 4.88 286 286 A 16 VAL H A 11 PHE HBx 1.0 . 5.50 287 287 A 13 TRP HZ3 A 16 VAL HGy% 1.0 . 3.58 288 288 A 13 TRP HZ3 A 16 VAL HGy% 1.0 . 4.10 289 289 A 13 TRP HZ3 A 16 VAL HGy% 1.0 . 3.98 290 290 A 19 TYR HEx A 15 ILE HG2% 1.0 . 3.61 291 291 A 4 ILE HD1% A 20 TYR HEx 1.0 . 4.15 292 292 A 4 ILE HD1% A 20 TYR HEx 1.0 . 4.22 293 293 A 20 TYR HDx A 4 ILE HD1% 1.0 . 5.44 294 294 A 20 TYR HDx A 23 ILE HG2% 1.0 . 4.95 295 295 A 40 ILE HG2% A 39 TRP HE3 1.0 . 4.66 296 296 A 40 ILE HG2% A 44 ILE H 1.0 . 5.37 297 297 A 40 ILE HG2% A 44 ILE H 1.0 . 5.50 298 298 A 15 ILE HA A 15 ILE HD1% 1.0 . 3.49 299 299 A 23 ILE HD1% A 20 TYR HA 1.0 . 3.49 300 300 A 26 PHE HDx A 36 ILE HG2% 1.0 . 3.48 301 301 A 7 LEU HBx A 7 LEU H 1.0 . 3.46 302 302 A 26 PHE H A 26 PHE HBy 1.0 . 4.11 303 303 A 5 ALA H A 5 ALA HB% 1.0 . 3.68 304 304 A 5 ALA H A 5 ALA HB% 1.0 . 3.98 305 305 A 4 ILE H A 3 ALA HB% 1.0 . 4.62 306 306 A 4 ILE H A 3 ALA HB% 1.0 . 5.12 307 307 A 4 ILE H A 3 ALA HB% 1.0 . 5.11 308 308 A 15 ILE H A 15 ILE HD1% 1.0 . 4.62 309 309 A 15 ILE H A 15 ILE HD1% 1.0 . 5.05 310 310 A 27 ILE H A 23 ILE HG2% 1.0 . 4.69 311 311 A 23 ILE H A 23 ILE HD1% 1.0 . 4.48 312 312 A 23 ILE H A 23 ILE HD1% 1.0 . 4.67 313 313 A 8 VAL H A 7 LEU HDy% 1.0 . 5.50 314 314 A 8 VAL H A 7 LEU HDy% 1.0 . 5.50 315 315 A 33 ILE HG2% A 33 ILE H 1.0 . 3.82 316 316 A 33 ILE HG2% A 33 ILE H 1.0 . 4.28 317 317 A 33 ILE HG2% A 33 ILE H 1.0 . 4.27 318 318 A 41 LYS H A 38 ASP H 1.0 . 5.47 319 319 A 41 LYS H A 43 HIS H 1.0 . 5.50 320 320 A 27 ILE H A 29 GLU H 1.0 . 4.92 321 321 A 31 TRP H A 29 GLU H 1.0 . 4.60 322 322 A 9 ALA H A 7 LEU H 1.0 . 4.79 323 323 A 13 TRP H A 12 GLY H 1.0 . 4.97 324 324 A 9 ALA H A 11 PHE H 1.0 . 5.19 325 325 A 31 TRP H A 30 GLY H 1.0 . 3.29 326 326 A 4 ILE H A 3 ALA H 1.0 . 3.49 327 327 A 27 ILE H A 25 GLN H 1.0 . 4.99 328 328 A 35 LYS H A 32 ALA H 1.0 . 4.92 329 329 A 11 PHE HZ A 37 ILE HA 1.0 . 3.81 330 330 A 11 PHE HEx A 37 ILE HA 1.0 . 3.28 331 331 A 19 TYR HDx A 16 VAL HA 1.0 . 4.91 332 332 A 26 PHE H A 22 GLN HA 1.0 . 5.12 333 333 A 24 MET H A 22 GLN HA 1.0 . 5.44 334 334 A 26 PHE HEx A 22 GLN HBy 1.0 . 4.47 335 335 A 26 PHE HEx A 22 GLN HBx 1.0 . 4.47 336 336 A 13 TRP H A 14 PRO HDy 1.0 . 3.98 337 337 A 13 TRP H A 14 PRO HDx 1.0 . 3.98 338 338 A 40 ILE H A 37 ILE HA 1.0 . 4.41 339 339 A 6 LYS H A 6 LYS HBy 1.0 . 4.11 340 340 A 13 TRP HE3 A 16 VAL HB 1.0 . 4.70 341 341 A 6 LYS H A 6 LYS HBx 1.0 . 4.11 342 342 A 18 LYS H A 17 LYS HBy 1.0 . 4.12 343 343 A 18 LYS H A 17 LYS HBx 1.0 . 4.12 344 344 A 6 LYS H A 5 ALA HB% 1.0 . 4.42 345 345 A 6 LYS H A 5 ALA HB% 1.0 . 4.62 346 346 A 3 ALA HB% A 3 ALA H 1.0 . 3.92 347 347 A 7 LEU H A 7 LEU HBy 1.0 . 4.17 348 348 A 23 ILE HB A 24 MET H 1.0 . 3.52 349 349 A 28 GLY H A 27 ILE HB 1.0 . 4.09 350 350 A 24 MET H A 24 MET HBy 1.0 . 3.82 351 351 A 24 MET H A 24 MET HBx 1.0 . 3.82 352 352 A 4 ILE HB A 5 ALA H 1.0 . 3.54 353 353 A 8 VAL H A 8 VAL HB 1.0 . 3.20 354 354 A 17 LYS H A 16 VAL HB 1.0 . 3.95 355 355 A 7 LEU HBx A 8 VAL H 1.0 . 3.35 356 356 A 27 ILE H A 25 GLN HA 1.0 . 5.50 357 357 A 18 LYS H A 16 VAL HA 1.0 . 5.50 358 358 A 31 TRP H A 29 GLU HGy 1.0 . 5.50 359 359 A 31 TRP H A 29 GLU HGx 1.0 . 5.50 360 360 A 40 ILE HG1x A 19 TYR HBy 1.0 . 4.81 361 361 A 39 TRP HBy A 39 TRP H 1.0 . 3.41 362 362 A 26 PHE HA A 29 GLU H 1.0 . 4.43 363 363 A 31 TRP HBy A 36 ILE H 1.0 . 4.89 364 364 A 25 GLN H A 22 GLN HA 1.0 . 4.19 365 365 A 44 ILE H A 41 LYS HA 1.0 . 4.54 366 366 A 27 ILE H A 26 PHE HBy 1.0 . 4.24 367 367 A 29 GLU HA A 29 GLU HGx 1.0 . 4.11 368 368 A 40 ILE HD1% A 40 ILE HA 1.0 . 4.97 369 369 A 40 ILE HD1% A 40 ILE HA 1.0 . 5.30 370 370 A 23 ILE HA A 23 ILE HD1% 1.0 . 5.46 371 371 A 16 VAL HGx% A 16 VAL HA 1.0 . 3.36 372 372 A 4 ILE HA A 23 ILE HG2% 1.0 . 4.89 373 373 A 21 LYS H A 19 TYR HA 1.0 . 5.25 374 374 A 16 VAL HGx% A 12 GLY H 1.0 . 5.47 375 375 A 16 VAL HGx% A 12 GLY H 1.0 . 5.08 376 376 A 4 ILE HG2% A 4 ILE H 1.0 . 5.50 377 377 A 4 ILE HG2% A 4 ILE H 1.0 . 5.50 378 378 A 8 VAL HGy% A 16 VAL HGx% 1.0 . 4.31 379 379 A 8 VAL HGy% A 16 VAL HGx% 1.0 . 4.32 380 380 A 31 TRP HD1 A 30 GLY H 1.0 . 4.77 381 381 A 39 TRP HE3 A 39 TRP H 1.0 . 5.11 382 382 A 11 PHE HBx A 12 GLY H 1.0 . 4.44 383 383 A 10 LYS H A 12 GLY H 1.0 . 4.82 384 384 A 35 LYS H A 38 ASP H 1.0 . 4.99 385 385 A 10 LYS H A 11 PHE H 1.0 . 3.42 386 386 A 9 ALA H A 5 ALA HA 1.0 . 5.50 387 387 A 5 ALA HA A 8 VAL HB 1.0 . 3.99 388 388 A 8 VAL HGy% A 5 ALA HA 1.0 . 4.24 389 389 A 8 VAL HGy% A 5 ALA HA 1.0 . 4.72 390 390 A 36 ILE HG2% A 23 ILE HA 1.0 . 4.54 391 391 A 36 ILE HG2% A 23 ILE HA 1.0 . 4.79 392 392 A 27 ILE HG2% A 31 TRP HBy 1.0 . 4.72 393 393 A 11 PHE HBx A 15 ILE HG2% 1.0 . 3.91 394 394 A 16 VAL HGx% A 11 PHE HBx 1.0 . 4.23 395 395 A 16 VAL HGx% A 11 PHE HBx 1.0 . 4.28 396 396 A 27 ILE HG2% A 31 TRP HBx 1.0 . 4.08 397 397 A 37 ILE HG2% A 39 TRP H 1.0 . 5.50 398 398 A 37 ILE HG2% A 39 TRP H 1.0 . 5.50 399 399 A 16 VAL HGx% A 11 PHE H 1.0 . 5.40 400 400 A 16 VAL HGx% A 11 PHE H 1.0 . 5.50 401 401 A 16 VAL HGx% A 11 PHE H 1.0 . 5.50 402 402 A 36 ILE HG2% A 23 ILE HG2% 1.0 . 3.45 403 403 A 36 ILE HG2% A 23 ILE HG2% 1.0 . 3.89 404 404 A 19 TYR HBy A 23 ILE HD1% 1.0 . 4.43 405 405 A 20 TYR HDx A 4 ILE HD1% 1.0 . 5.50 406 406 A 40 ILE HD1% A 39 TRP HE3 1.0 . 4.17 407 407 A 11 PHE HDx A 40 ILE HD1% 1.0 . 4.30 408 408 A 11 PHE HDx A 40 ILE HD1% 1.0 . 4.45 409 409 A 11 PHE HDx A 16 VAL HGx% 1.0 . 4.65 410 410 A 11 PHE HDx A 16 VAL HGx% 1.0 . 4.99 411 411 A 4 ILE HD1% A 4 ILE H 1.0 . 4.56 412 412 A 4 ILE HD1% A 4 ILE H 1.0 . 5.23 413 413 A 39 TRP HZ3 A 40 ILE HD1% 1.0 . 5.50 414 414 A 39 TRP HZ3 A 40 ILE HD1% 1.0 . 5.50 415 415 A 31 TRP HE3 A 31 TRP HBy 1.0 . 3.63 416 416 A 9 ALA H A 10 LYS H 1.0 . 3.45 417 417 A 43 HIS H A 44 ILE H 1.0 . 3.27 418 418 A 35 LYS H A 36 ILE H 1.0 . 3.24 419 419 A 26 PHE H A 27 ILE H 1.0 . 3.41 420 420 A 8 VAL H A 6 LYS H 1.0 . 4.69 421 421 A 9 ALA H A 8 VAL H 1.0 . 3.30 422 422 A 38 ASP H A 37 ILE H 1.0 . 3.36 423 423 A 17 LYS H A 18 LYS H 1.0 . 3.37 424 424 A 17 LYS H A 13 TRP HE3 1.0 . 4.15 425 425 A 31 TRP H A 31 TRP HD1 1.0 . 2.99 426 426 A 31 TRP HD1 A 32 ALA H 1.0 . 5.09 427 427 A 43 HIS H A 43 HIS HD2 1.0 . 4.61 428 428 A 26 PHE HEx A 39 TRP HE3 1.0 . 4.73 429 429 A 26 PHE HEx A 31 TRP HZ2 1.0 . 4.60 430 430 A 26 PHE HEx A 31 TRP HH2 1.0 . 4.40 431 431 A 26 PHE HEx A 36 ILE HG2% 1.0 . 5.11 432 432 A 41 LYS H A 40 ILE HG2% 1.0 . 4.14 433 433 A 40 ILE HG2% A 41 LYS HA 1.0 . 4.24 434 434 A 40 ILE HG2% A 40 ILE HA 1.0 . 3.55 435 435 A 40 ILE HG2% A 7 LEU HBy 1.0 . 5.50 436 436 A 40 ILE HG2% A 44 ILE HG1y 1.0 . 5.50 437 437 A 40 ILE HG2% A 40 ILE HG1y 1.0 . 4.12 438 438 A 40 ILE HG2% A 44 ILE HG1x 1.0 . 5.50 439 439 A 31 TRP HH2 A 39 TRP HE1 1.0 . 4.79 440 440 A 23 ILE H A 22 GLN H 1.0 . 3.33 441 441 A 21 LYS H A 22 GLN H 1.0 . 3.43 442 442 A 31 TRP HA A 32 ALA H 1.0 . 2.96 443 443 A 34 ASN H A 34 ASN HBx 1.0 . 3.87 444 444 A 27 ILE H A 27 ILE HB 1.0 . 3.75 445 445 A 35 LYS HBx A 32 ALA H 1.0 . 4.23 446 446 A 21 LYS H A 21 LYS HGy 1.0 . 4.88 447 447 A 41 LYS H A 44 ILE HD1% 1.0 . 5.06 448 448 A 11 PHE H A 15 ILE HG2% 1.0 . 5.50 449 449 A 40 ILE HD1% A 23 ILE H 1.0 . 5.50 450 450 A 8 VAL HGy% A 12 GLY H 1.0 . 5.50 451 451 A 8 VAL HGy% A 12 GLY H 1.0 . 5.50 452 452 A 16 VAL HGx% A 7 LEU H 1.0 . 4.88 453 453 A 36 ILE HG2% A 24 MET H 1.0 . 5.50 454 454 A 23 ILE H A 24 MET H 1.0 . 3.38 455 455 A 3 ALA H A 2 GLY H 1.0 . 3.75 456 456 A 27 ILE H A 28 GLY H 1.0 . 3.42 457 457 A 8 VAL H A 5 ALA H 1.0 . 5.06 458 458 A 17 LYS H A 15 ILE H 1.0 . 4.90 459 459 A 29 GLU H A 28 GLY H 1.0 . 3.51 460 460 A 7 LEU H A 6 LYS H 1.0 . 3.38 461 461 A 42 LYS H A 43 HIS H 1.0 . 3.42 462 462 A 11 PHE HEx A 11 PHE H 1.0 . 5.30 463 463 A 16 VAL H A 15 ILE H 1.0 . 3.32 464 464 A 18 LYS H A 19 TYR H 1.0 . 3.35 465 465 A 20 TYR H A 18 LYS H 1.0 . 4.08 466 466 A 26 PHE HEx A 26 PHE H 1.0 . 5.50 467 467 A 42 LYS H A 38 ASP HA 1.0 . 5.02 468 468 A 11 PHE HDx A 37 ILE HA 1.0 . 4.36 469 469 A 15 ILE HG2% A 15 ILE HD1% 1.0 . 3.48 470 470 A 15 ILE HG2% A 15 ILE HD1% 1.0 . 3.53 471 471 A 23 ILE HG2% A 7 LEU HDy% 1.0 . 2.73 472 472 A 27 ILE HG2% A 23 ILE HG2% 1.0 . 3.39 473 473 A 7 LEU HDx% A 7 LEU HBy 1.0 . 3.26 474 474 A 23 ILE HB A 4 ILE HG2% 1.0 . 4.26 475 475 A 34 ASN HA A 37 ILE HB 1.0 . 3.91 476 476 A 7 LEU H A 7 LEU HG 1.0 . 4.12 477 477 A 19 TYR HBx A 19 TYR H 1.0 . 3.48 478 478 A 11 PHE HDx A 11 PHE HBx 1.0 . 3.24 479 479 A 40 ILE H A 39 TRP HBx 1.0 . 4.57 480 480 A 40 ILE H A 39 TRP HBy 1.0 . 3.62 481 481 A 34 ASN H A 33 ILE H 1.0 . 3.50 482 482 A 43 HIS HD2 A 39 TRP HE1 1.0 . 5.15 483 483 A 26 PHE HEx A 39 TRP HE1 1.0 . 4.46 484 484 A 26 PHE HDx A 39 TRP HE1 1.0 . 5.50 485 485 A 31 TRP HZ3 A 39 TRP HE1 1.0 . 5.50 486 486 A 39 TRP HE1 A 26 PHE HZ 1.0 . 3.91 487 487 A 17 LYS H A 8 VAL HGy% 1.0 . 5.50 488 488 A 40 ILE H A 40 ILE HG1y 1.0 . 3.94 489 489 A 40 ILE H A 40 ILE HB 1.0 . 3.34 490 490 A 40 ILE HG2% A 39 TRP HZ3 1.0 . 5.09 491 491 A 40 ILE HG2% A 11 PHE HBx 1.0 . 5.50 492 492 A 40 ILE HG2% A 11 PHE HBx 1.0 . 5.50 493 493 A 17 LYS H A 13 TRP HBy 1.0 . 5.50 494 494 A 11 PHE H A 12 GLY H 1.0 . 3.05 495 495 A 27 ILE H A 36 ILE HG2% 1.0 . 4.49 496 496 A 8 VAL H A 9 ALA HB% 1.0 . 4.88 497 497 A 33 ILE H A 32 ALA HA 1.0 . 2.84 498 498 A 35 LYS H A 33 ILE H 1.0 . 5.18 499 499 A 11 PHE HDx A 12 GLY H 1.0 . 5.50 500 500 A 8 VAL H A 7 LEU H 1.0 . 3.28 501 501 A 17 LYS H A 19 TYR H 1.0 . 5.15 502 502 A 11 PHE HEx A 37 ILE H 1.0 . 5.12 503 503 A 41 LYS H A 39 TRP HE3 1.0 . 5.50 504 504 A 8 VAL H A 5 ALA HA 1.0 . 3.60 505 505 A 32 ALA H A 31 TRP HBx 1.0 . 4.71 506 506 A 37 ILE H A 37 ILE HB 1.0 . 3.35 507 507 A 33 ILE H A 33 ILE HB 1.0 . 3.11 508 508 A 5 ALA HB% A 2 GLY H 1.0 . 5.50 509 509 A 8 VAL H A 16 VAL HGx% 1.0 . 4.39 510 510 A 8 VAL H A 16 VAL HGx% 1.0 . 4.84 511 511 A 4 ILE HG2% A 7 LEU H 1.0 . 4.09 512 512 A 34 ASN H A 34 ASN HBy 1.0 . 3.87 513 513 A 34 ASN HA A 36 ILE H 1.0 . 5.21 514 514 A 38 ASP H A 35 LYS HA 1.0 . 3.96 515 515 A 26 PHE H A 26 PHE HBx 1.0 . 4.11 516 516 A 36 ILE H A 36 ILE HB 1.0 . 3.68 517 517 A 18 LYS H A 18 LYS HBx 1.0 . 3.43 518 518 A 18 LYS H A 18 LYS HBy 1.0 . 3.43 519 519 A 35 LYS HBx A 36 ILE H 1.0 . 3.94 520 520 A 15 ILE HB A 15 ILE H 1.0 . 3.23 521 521 A 15 ILE H A 14 PRO HBy 1.0 . 4.47 522 522 A 11 PHE HZ A 41 LYS HBx 1.0 . 4.61 523 523 A 15 ILE HG2% A 15 ILE H 1.0 . 4.99 524 524 A 15 ILE HG2% A 15 ILE H 1.0 . 5.34 525 525 A 43 HIS H A 44 ILE HG2% 1.0 . 4.62 526 526 A 4 ILE HG2% A 6 LYS H 1.0 . 5.43 527 527 A 26 PHE H A 23 ILE HG2% 1.0 . 5.04 528 528 A 23 ILE HD1% A 19 TYR H 1.0 . 5.04 529 529 A 23 ILE HD1% A 19 TYR H 1.0 . 5.50 530 530 A 11 PHE HZ A 7 LEU HDx% 1.0 . 5.18 531 531 A 25 GLN H A 25 GLN HBx 1.0 . 3.62 532 532 A 16 VAL H A 16 VAL HB 1.0 . 3.66 533 533 A 13 TRP HBx A 13 TRP HD1 1.0 . 3.49 534 534 A 20 TYR H A 16 VAL HA 1.0 . 5.16 535 535 A 39 TRP HZ2 A 26 PHE HZ 1.0 . 3.96 536 536 A 26 PHE HDx A 31 TRP HZ2 1.0 . 5.10 537 537 A 13 TRP H A 13 TRP HD1 1.0 . 4.29 538 538 A 19 TYR HEx A 19 TYR HA 1.0 . 5.50 539 539 A 19 TYR HEx A 44 ILE HA 1.0 . 5.24 540 540 A 31 TRP HE3 A 36 ILE HA 1.0 . 3.60 541 541 A 20 TYR HDx A 20 TYR HA 1.0 . 3.28 542 542 A 20 TYR HDx A 21 LYS HA 1.0 . 5.08 543 543 A 39 TRP HBx A 31 TRP HH2 1.0 . 5.06 544 544 A 39 TRP HH2 A 22 GLN HBx 1.0 . 4.72 545 545 A 39 TRP HH2 A 22 GLN HBy 1.0 . 4.72 546 546 A 20 TYR HEx A 23 ILE HG2% 1.0 . 4.94 547 547 A 39 TRP HZ3 A 19 TYR HBx 1.0 . 4.80 548 548 A 29 GLU HA A 29 GLU HGy 1.0 . 4.11 549 549 A 35 LYS HA A 35 LYS HGy 1.0 . 4.08 550 550 A 35 LYS HA A 35 LYS HGx 1.0 . 4.08 551 551 A 7 LEU HA A 7 LEU HG 1.0 . 4.05 552 552 A 11 PHE HDx A 7 LEU HA 1.0 . 4.02 553 553 A 39 TRP HD1 A 39 TRP HA 1.0 . 4.29 554 554 A 39 TRP HD1 A 39 TRP HBx 1.0 . 3.24 555 555 A 43 HIS H A 40 ILE HA 1.0 . 4.46 556 556 A 15 ILE H A 16 VAL HA 1.0 . 4.93 557 557 A 35 LYS H A 32 ALA HB% 1.0 . 3.68 558 558 A 19 TYR HDx A 40 ILE HG1x 1.0 . 4.59 559 559 A 11 PHE HDx A 7 LEU HBy 1.0 . 4.04 560 560 A 16 VAL H A 15 ILE HD1% 1.0 . 5.36 561 561 A 16 VAL H A 16 VAL HGx% 1.0 . 4.16 562 562 A 16 VAL H A 16 VAL HGx% 1.0 . 4.39 563 563 A 4 ILE HG2% A 4 ILE H 1.0 . 4.44 564 564 A 16 VAL HGx% A 15 ILE H 1.0 . 5.26 565 565 A 36 ILE H A 7 LEU HDx% 1.0 . 4.94 566 566 A 35 LYS H A 35 LYS HGy 1.0 . 4.84 567 567 A 19 TYR HDx A 23 ILE HD1% 1.0 . 4.86 568 568 A 44 ILE H A 44 ILE HG2% 1.0 . 3.76 569 569 A 36 ILE HG2% A 39 TRP HE3 1.0 . 5.50 570 570 A 19 TYR HEx A 15 ILE HD1% 1.0 . 4.55 571 571 A 10 LYS H A 9 ALA HB% 1.0 . 3.95 572 572 A 10 LYS H A 9 ALA HB% 1.0 . 4.27 573 573 A 31 TRP HD1 A 29 GLU HGy 1.0 . 4.48 574 574 A 39 TRP HZ2 A 22 GLN HA 1.0 . 5.50 575 575 A 31 TRP HE3 A 26 PHE HBx 1.0 . 4.90 576 576 A 31 TRP HZ3 A 39 TRP HBy 1.0 . 3.88 577 577 A 26 PHE HDx A 23 ILE HA 1.0 . 3.26 578 578 A 26 PHE HDx A 26 PHE HBx 1.0 . 3.44 579 579 A 26 PHE HDx A 26 PHE HBy 1.0 . 3.44 580 580 A 7 LEU HDx% A 7 LEU HA 1.0 . 3.55 581 581 A 7 LEU HDx% A 7 LEU HA 1.0 . 3.71 582 582 A 9 ALA HB% A 9 ALA HA 1.0 . 2.83 583 583 A 40 ILE HB A 37 ILE HA 1.0 . 3.99 584 584 A 36 ILE HG2% A 33 ILE HA 1.0 . 5.50 585 585 A 37 ILE HG2% A 37 ILE HA 1.0 . 3.43 586 586 A 36 ILE HG2% A 36 ILE HA 1.0 . 3.37 587 587 A 40 ILE HD1% A 37 ILE HA 1.0 . 3.77 588 588 A 15 ILE HG2% A 15 ILE HA 1.0 . 3.46 589 589 A 27 ILE HG2% A 27 ILE HA 1.0 . 3.19 590 590 A 27 ILE HG2% A 27 ILE HA 1.0 . 3.69 591 591 A 41 LYS HA A 44 ILE HD1% 1.0 . 3.83 592 592 A 5 ALA HA A 4 ILE HG2% 1.0 . 5.00 593 593 A 5 ALA HA A 4 ILE HG2% 1.0 . 5.50 594 594 A 23 ILE HG2% A 20 TYR HA 1.0 . 4.80 595 595 A 8 VAL HGy% A 4 ILE HA 1.0 . 5.04 596 596 A 23 ILE HG2% A 23 ILE HA 1.0 . 3.39 597 597 A 8 VAL HA A 16 VAL HGy% 1.0 . 5.50 598 598 A 8 VAL HA A 16 VAL HGy% 1.0 . 5.50 599 599 A 8 VAL HA A 16 VAL HGy% 1.0 . 5.50 600 600 A 44 ILE HG2% A 40 ILE HA 1.0 . 5.23 601 601 A 11 PHE HBy A 15 ILE HB 1.0 . 3.98 602 602 A 19 TYR HBx A 16 VAL HA 1.0 . 5.10 603 603 A 7 LEU HBx A 7 LEU HDy% 1.0 . 3.59 604 604 A 35 LYS HBx A 31 TRP HBy 1.0 . 3.95 605 605 A 35 LYS HBx A 32 ALA HB% 1.0 . 4.88 606 606 A 35 LYS HBx A 32 ALA HB% 1.0 . 5.50 607 607 A 35 LYS HBx A 32 ALA HB% 1.0 . 5.25 608 608 A 23 ILE HB A 23 ILE HD1% 1.0 . 3.54 609 609 A 27 ILE HG2% A 27 ILE HB 1.0 . 2.95 610 610 A 23 ILE HB A 4 ILE HD1% 1.0 . 4.11 611 611 A 40 ILE HD1% A 40 ILE HB 1.0 . 3.91 612 612 A 40 ILE HD1% A 23 ILE HD1% 1.0 . 3.27 613 613 A 4 ILE HG2% A 4 ILE HD1% 1.0 . 2.91 614 614 A 4 ILE HG2% A 23 ILE HG2% 1.0 . 3.57 615 615 A 36 ILE HG2% A 7 LEU HDy% 1.0 . 3.39 616 616 A 36 ILE HG2% A 27 ILE HG2% 1.0 . 3.59 617 617 A 36 ILE HG2% A 27 ILE HG2% 1.0 . 3.79 618 618 A 7 LEU HDy% A 36 ILE HB 1.0 . 3.76 619 619 A 7 LEU HBx A 16 VAL HGx% 1.0 . 3.45 620 620 A 7 LEU HBx A 4 ILE HG2% 1.0 . 3.46 621 621 A 36 ILE HG2% A 26 PHE HBy 1.0 . 5.32 622 622 A 36 ILE HG2% A 26 PHE HBx 1.0 . 5.32 623 623 A 40 ILE HG1y A 40 ILE HA 1.0 . 3.95 624 624 A 23 ILE HA A 23 ILE HD1% 1.0 . 4.88 625 625 A 23 ILE HA A 23 ILE HD1% 1.0 . 5.32 626 626 A 23 ILE HD1% A 16 VAL HA 1.0 . 4.11 627 627 A 23 ILE HD1% A 16 VAL HA 1.0 . 4.64 628 628 A 23 ILE HD1% A 16 VAL HA 1.0 . 4.71 629 629 A 7 LEU HDx% A 36 ILE HA 1.0 . 4.49 630 630 A 11 PHE HBy A 15 ILE HG2% 1.0 . 3.45 631 631 A 40 ILE HD1% A 40 ILE HA 1.0 . 5.50 632 632 A 40 ILE HD1% A 19 TYR HBx 1.0 . 4.38 633 633 A 40 ILE HD1% A 23 ILE HG2% 1.0 . 3.67 634 634 A 8 VAL HGx% A 9 ALA HA 1.0 . 4.17 635 635 A 6 LYS H A 6 LYS HBx 1.0 . 3.37 636 635 A 6 LYS H A 6 LYS HBy 1.0 . 3.37 637 636 A 6 LYS H A 6 LYS HGx 1.0 . 3.89 638 636 A 6 LYS H A 6 LYS HGy 1.0 . 3.89 639 637 A 6 LYS HA A 6 LYS HGx 1.0 . 3.60 640 637 A 6 LYS HGy A 6 LYS HA 1.0 . 3.60 641 638 A 7 LEU H A 6 LYS HBx 1.0 . 3.91 642 638 A 7 LEU H A 6 LYS HBy 1.0 . 3.91 643 639 A 11 PHE H A 10 LYS HBx 1.0 . 3.86 644 639 A 11 PHE H A 10 LYS HBy 1.0 . 3.86 645 640 A 11 PHE HDx A 10 LYS HBx 1.0 . 4.18 646 640 A 11 PHE HDx A 10 LYS HBy 1.0 . 4.18 647 641 A 11 PHE H A 10 LYS HGx 1.0 . 5.33 648 641 A 11 PHE H A 10 LYS HGy 1.0 . 5.33 649 642 A 37 ILE HG2% A 10 LYS HEy 1.0 . 4.23 650 642 A 37 ILE HG2% A 10 LYS HEx 1.0 . 4.23 651 643 A 11 PHE HEx A 41 LYS HBx 1.0 . 4.77 652 643 A 11 PHE HEx A 41 LYS HBy 1.0 . 4.77 653 644 A 11 PHE HEx A 41 LYS HGx 1.0 . 4.90 654 644 A 11 PHE HEx A 41 LYS HGy 1.0 . 4.90 655 645 A 11 PHE HZ A 41 LYS HBx 1.0 . 3.74 656 645 A 11 PHE HZ A 41 LYS HBy 1.0 . 3.74 657 646 A 11 PHE HZ A 41 LYS HGx 1.0 . 4.41 658 646 A 11 PHE HZ A 41 LYS HGy 1.0 . 4.41 659 647 A 13 TRP H A 14 PRO HGx 1.0 . 5.03 660 647 A 13 TRP H A 14 PRO HGy 1.0 . 5.03 661 648 A 13 TRP H A 14 PRO HDy 1.0 . 3.44 662 648 A 13 TRP H A 14 PRO HDx 1.0 . 3.44 663 649 A 13 TRP HBx A 14 PRO HDy 1.0 . 3.69 664 649 A 13 TRP HBx A 14 PRO HDx 1.0 . 3.69 665 650 A 13 TRP HBy A 14 PRO HDy 1.0 . 3.87 666 650 A 13 TRP HBy A 14 PRO HDx 1.0 . 3.87 667 651 A 13 TRP HE3 A 17 LYS HBx 1.0 . 4.78 668 651 A 13 TRP HE3 A 17 LYS HBy 1.0 . 4.78 669 652 A 13 TRP HE3 A 17 LYS HGy 1.0 . 3.80 670 652 A 13 TRP HE3 A 17 LYS HGx 1.0 . 3.80 671 653 A 15 ILE H A 14 PRO HBx 1.0 . 3.75 672 653 A 15 ILE H A 14 PRO HBy 1.0 . 3.75 673 654 A 15 ILE H A 14 PRO HGx 1.0 . 4.66 674 654 A 15 ILE H A 14 PRO HGy 1.0 . 4.66 675 655 A 15 ILE H A 14 PRO HDy 1.0 . 4.39 676 655 A 15 ILE H A 14 PRO HDx 1.0 . 4.39 677 656 A 15 ILE H A 15 ILE HG1x 1.0 . 4.11 678 656 A 15 ILE H A 15 ILE HG1y 1.0 . 4.11 679 657 A 17 LYS H A 17 LYS HBx 1.0 . 3.18 680 657 A 17 LYS H A 17 LYS HBy 1.0 . 3.18 681 658 A 17 LYS H A 17 LYS HGy 1.0 . 3.72 682 658 A 17 LYS H A 17 LYS HGx 1.0 . 3.72 683 659 A 18 LYS H A 17 LYS HBx 1.0 . 3.59 684 659 A 18 LYS H A 17 LYS HBy 1.0 . 3.59 685 660 A 18 LYS HA A 18 LYS HGx 1.0 . 3.69 686 660 A 18 LYS HA A 18 LYS HGy 1.0 . 3.69 687 661 A 19 TYR H A 18 LYS HBx 1.0 . 3.85 688 661 A 19 TYR H A 18 LYS HBy 1.0 . 3.85 689 662 A 19 TYR HDx A 18 LYS HBx 1.0 . 4.27 690 662 A 19 TYR HDx A 18 LYS HBy 1.0 . 4.27 691 663 A 19 TYR HEx A 18 LYS HBx 1.0 . 4.70 692 663 A 19 TYR HEx A 18 LYS HBy 1.0 . 4.70 693 664 A 19 TYR H A 18 LYS HGx 1.0 . 5.12 694 664 A 19 TYR H A 18 LYS HGy 1.0 . 5.12 695 665 A 19 TYR HDx A 18 LYS HGx 1.0 . 4.73 696 665 A 19 TYR HDx A 18 LYS HGy 1.0 . 4.73 697 666 A 19 TYR HEx A 18 LYS HGx 1.0 . 4.73 698 666 A 19 TYR HEx A 18 LYS HGy 1.0 . 4.73 699 667 A 19 TYR HEx A 18 LYS HDx 1.0 . 4.22 700 667 A 19 TYR HEx A 18 LYS HDy 1.0 . 4.22 701 668 A 19 TYR HEx A 18 LYS HEx 1.0 . 4.66 702 668 A 19 TYR HEx A 18 LYS HEy 1.0 . 4.66 703 669 A 19 TYR HA A 22 GLN HBx 1.0 . 5.18 704 669 A 19 TYR HA A 22 GLN HBy 1.0 . 5.18 705 670 A 19 TYR HBx A 23 ILE HG1x 1.0 . 4.72 706 670 A 19 TYR HBx A 23 ILE HG1y 1.0 . 4.72 707 671 A 19 TYR HBy A 22 GLN HBx 1.0 . 4.21 708 671 A 19 TYR HBy A 22 GLN HBy 1.0 . 4.21 709 672 A 20 TYR H A 20 TYR HBy 1.0 . 2.73 710 672 A 20 TYR H A 20 TYR HBx 1.0 . 2.73 711 673 A 20 TYR HDx A 20 TYR HBy 1.0 . 3.23 712 673 A 20 TYR HDx A 20 TYR HBx 1.0 . 3.23 713 674 A 21 LYS H A 20 TYR HBy 1.0 . 3.37 714 674 A 21 LYS H A 20 TYR HBx 1.0 . 3.37 715 675 A 20 TYR HDx A 24 MET HBy 1.0 . 4.44 716 675 A 20 TYR HDx A 24 MET HBx 1.0 . 4.44 717 676 A 20 TYR HEx A 24 MET HBy 1.0 . 4.01 718 676 A 20 TYR HEx A 24 MET HBx 1.0 . 4.01 719 677 A 21 LYS H A 21 LYS HBx 1.0 . 3.33 720 677 A 21 LYS H A 21 LYS HBy 1.0 . 3.33 721 678 A 21 LYS H A 21 LYS HGy 1.0 . 4.05 722 678 A 21 LYS H A 21 LYS HGx 1.0 . 4.05 723 679 A 22 GLN H A 21 LYS HBx 1.0 . 3.91 724 679 A 22 GLN H A 21 LYS HBy 1.0 . 3.91 725 680 A 21 LYS HBx A 22 GLN HGx 1.0 . 3.65 726 680 A 21 LYS HBy A 22 GLN HGx 1.0 . 3.65 727 680 A 22 GLN HGy A 21 LYS HBx 1.0 . 3.65 728 680 A 21 LYS HBy A 22 GLN HGy 1.0 . 3.65 729 681 A 22 GLN H A 22 GLN HGx 1.0 . 4.40 730 681 A 22 GLN H A 22 GLN HGy 1.0 . 4.40 731 682 A 22 GLN HA A 25 GLN HBx 1.0 . 4.21 732 682 A 22 GLN HA A 25 GLN HBy 1.0 . 4.21 733 683 A 23 ILE H A 22 GLN HBx 1.0 . 3.24 734 683 A 23 ILE H A 22 GLN HBy 1.0 . 3.24 735 684 A 26 PHE HEx A 22 GLN HBx 1.0 . 3.83 736 684 A 26 PHE HEx A 22 GLN HBy 1.0 . 3.83 737 685 A 26 PHE HZ A 22 GLN HBx 1.0 . 4.68 738 685 A 26 PHE HZ A 22 GLN HBy 1.0 . 4.68 739 686 A 39 TRP HZ2 A 22 GLN HBx 1.0 . 5.06 740 686 A 39 TRP HZ2 A 22 GLN HBy 1.0 . 5.06 741 687 A 39 TRP HH2 A 22 GLN HBx 1.0 . 4.04 742 687 A 39 TRP HH2 A 22 GLN HBy 1.0 . 4.04 743 688 A 39 TRP HZ2 A 22 GLN HGx 1.0 . 5.34 744 688 A 39 TRP HZ2 A 22 GLN HGy 1.0 . 5.34 745 689 A 39 TRP HH2 A 22 GLN HGx 1.0 . 4.03 746 689 A 39 TRP HH2 A 22 GLN HGy 1.0 . 4.03 747 690 A 23 ILE H A 23 ILE HG1x 1.0 . 3.77 748 690 A 23 ILE H A 23 ILE HG1y 1.0 . 3.77 749 691 A 23 ILE HA A 23 ILE HG1x 1.0 . 3.64 750 691 A 23 ILE HA A 23 ILE HG1y 1.0 . 3.64 751 692 A 23 ILE HA A 26 PHE HBy 1.0 . 4.72 752 692 A 23 ILE HA A 26 PHE HBx 1.0 . 4.72 753 693 A 23 ILE HG2% A 24 MET HBy 1.0 . 4.55 754 693 A 23 ILE HG2% A 24 MET HBx 1.0 . 4.55 755 694 A 23 ILE HG2% A 23 ILE HG1x 1.0 . 2.99 756 694 A 23 ILE HG2% A 23 ILE HG1y 1.0 . 2.99 757 695 A 26 PHE HDx A 23 ILE HG1x 1.0 . 4.63 758 695 A 26 PHE HDx A 23 ILE HG1y 1.0 . 4.63 759 696 A 36 ILE HG2% A 23 ILE HG1x 1.0 . 4.79 760 696 A 36 ILE HG2% A 23 ILE HG1y 1.0 . 4.79 761 697 A 36 ILE HG2% A 23 ILE HG1x 1.0 . 5.01 762 697 A 36 ILE HG2% A 23 ILE HG1y 1.0 . 5.01 763 698 A 24 MET H A 24 MET HBy 1.0 . 2.97 764 698 A 24 MET H A 24 MET HBx 1.0 . 2.97 765 699 A 25 GLN H A 24 MET HBy 1.0 . 4.18 766 699 A 25 GLN H A 24 MET HBx 1.0 . 4.18 767 700 A 26 PHE H A 25 GLN HBx 1.0 . 3.55 768 700 A 26 PHE H A 25 GLN HBy 1.0 . 3.55 769 701 A 26 PHE H A 26 PHE HBy 1.0 . 3.40 770 701 A 26 PHE H A 26 PHE HBx 1.0 . 3.40 771 702 A 26 PHE HA A 29 GLU HBx 1.0 . 4.19 772 702 A 26 PHE HA A 29 GLU HBy 1.0 . 4.19 773 703 A 27 ILE H A 26 PHE HBy 1.0 . 3.48 774 703 A 27 ILE H A 26 PHE HBx 1.0 . 3.48 775 704 A 31 TRP H A 26 PHE HBy 1.0 . 5.34 776 704 A 31 TRP H A 26 PHE HBx 1.0 . 5.34 777 705 A 31 TRP HBx A 26 PHE HBy 1.0 . 4.08 778 705 A 31 TRP HBx A 26 PHE HBx 1.0 . 4.08 779 706 A 31 TRP HBy A 26 PHE HBy 1.0 . 4.84 780 706 A 31 TRP HBy A 26 PHE HBx 1.0 . 4.84 781 707 A 31 TRP HE3 A 26 PHE HBy 1.0 . 4.28 782 707 A 31 TRP HE3 A 26 PHE HBx 1.0 . 4.28 783 708 A 36 ILE HG2% A 26 PHE HBx 1.0 . 5.34 784 708 A 36 ILE HG2% A 26 PHE HBy 1.0 . 5.34 785 709 A 36 ILE HG2% A 26 PHE HBy 1.0 . 5.34 786 709 A 36 ILE HG2% A 26 PHE HBx 1.0 . 5.34 787 710 A 27 ILE H A 28 GLY HAx 1.0 . 5.34 788 710 A 27 ILE H A 28 GLY HAy 1.0 . 5.34 789 711 A 29 GLU H A 29 GLU HBx 1.0 . 3.41 790 711 A 29 GLU H A 29 GLU HBy 1.0 . 3.41 791 712 A 29 GLU H A 29 GLU HGy 1.0 . 4.04 792 712 A 29 GLU H A 29 GLU HGx 1.0 . 4.04 793 713 A 31 TRP H A 29 GLU HBx 1.0 . 4.64 794 713 A 31 TRP H A 29 GLU HBy 1.0 . 4.64 795 714 A 31 TRP HD1 A 29 GLU HBx 1.0 . 3.62 796 714 A 31 TRP HD1 A 29 GLU HBy 1.0 . 3.62 797 715 A 31 TRP HE1 A 29 GLU HBx 1.0 . 4.74 798 715 A 31 TRP HE1 A 29 GLU HBy 1.0 . 4.74 799 716 A 31 TRP HD1 A 29 GLU HGy 1.0 . 3.88 800 716 A 31 TRP HD1 A 29 GLU HGx 1.0 . 3.88 801 717 A 31 TRP HE1 A 29 GLU HGy 1.0 . 4.72 802 717 A 31 TRP HE1 A 29 GLU HGx 1.0 . 4.72 803 718 A 31 TRP HBy A 35 LYS HDx 1.0 . 5.34 804 718 A 31 TRP HBy A 35 LYS HDy 1.0 . 5.34 805 719 A 31 TRP HE3 A 35 LYS HGy 1.0 . 3.92 806 719 A 31 TRP HE3 A 35 LYS HGx 1.0 . 3.92 807 720 A 31 TRP HE3 A 35 LYS HDx 1.0 . 4.76 808 720 A 31 TRP HE3 A 35 LYS HDy 1.0 . 4.76 809 721 A 31 TRP HZ3 A 35 LYS HGy 1.0 . 5.26 810 721 A 31 TRP HZ3 A 35 LYS HGx 1.0 . 5.26 811 722 A 32 ALA H A 35 LYS HGy 1.0 . 4.95 812 722 A 32 ALA H A 35 LYS HGx 1.0 . 4.95 813 723 A 32 ALA H A 35 LYS HDx 1.0 . 5.20 814 723 A 32 ALA H A 35 LYS HDy 1.0 . 5.20 815 724 A 32 ALA HA A 35 LYS HGy 1.0 . 4.14 816 724 A 32 ALA HA A 35 LYS HGx 1.0 . 4.14 817 725 A 32 ALA HB% A 35 LYS HGy 1.0 . 5.04 818 725 A 32 ALA HB% A 35 LYS HGx 1.0 . 5.04 819 726 A 32 ALA HB% A 35 LYS HGx 1.0 . 4.37 820 726 A 32 ALA HB% A 35 LYS HGy 1.0 . 4.37 821 727 A 32 ALA HB% A 35 LYS HGx 1.0 . 4.35 822 727 A 32 ALA HB% A 35 LYS HGy 1.0 . 4.35 823 728 A 33 ILE H A 33 ILE HG1x 1.0 . 4.39 824 728 A 33 ILE H A 33 ILE HG1y 1.0 . 4.39 825 729 A 34 ASN H A 34 ASN HBy 1.0 . 3.28 826 729 A 34 ASN H A 34 ASN HBx 1.0 . 3.28 827 730 A 34 ASN H A 35 LYS HGy 1.0 . 4.67 828 730 A 34 ASN H A 35 LYS HGx 1.0 . 4.67 829 731 A 35 LYS HA A 35 LYS HGy 1.0 . 3.52 830 731 A 35 LYS HA A 35 LYS HGx 1.0 . 3.52 831 732 A 35 LYS HBx A 35 LYS HDx 1.0 . 3.72 832 732 A 35 LYS HBx A 35 LYS HDy 1.0 . 3.72 833 733 A 37 ILE HG2% A 41 LYS HBx 1.0 . 4.56 834 733 A 37 ILE HG2% A 41 LYS HBy 1.0 . 4.56 835 734 A 37 ILE HG2% A 41 LYS HEx 1.0 . 5.34 836 734 A 37 ILE HG2% A 41 LYS HEy 1.0 . 5.34 837 735 A 37 ILE HG2% A 41 LYS HBy 1.0 . 5.13 838 735 A 37 ILE HG2% A 41 LYS HBx 1.0 . 5.13 839 736 A 37 ILE HG2% A 41 LYS HEy 1.0 . 5.34 840 736 A 37 ILE HG2% A 41 LYS HEx 1.0 . 5.34 841 737 A 38 ASP H A 38 ASP HBx 1.0 . 3.10 842 737 A 38 ASP H A 38 ASP HBy 1.0 . 3.10 843 738 A 38 ASP HA A 41 LYS HBx 1.0 . 4.18 844 738 A 38 ASP HA A 41 LYS HBy 1.0 . 4.18 845 739 A 40 ILE HA A 43 HIS HBx 1.0 . 4.38 846 739 A 40 ILE HA A 43 HIS HBy 1.0 . 4.38 847 740 A 40 ILE HG2% A 44 ILE HG1y 1.0 . 4.77 848 740 A 40 ILE HG2% A 44 ILE HG1x 1.0 . 4.77 849 741 A 40 ILE HG2% A 44 ILE HG1x 1.0 . 5.34 850 741 A 40 ILE HG2% A 44 ILE HG1y 1.0 . 5.34 851 742 A 41 LYS H A 41 LYS HBx 1.0 . 3.14 852 742 A 41 LYS H A 41 LYS HBy 1.0 . 3.14 853 743 A 41 LYS H A 41 LYS HGx 1.0 . 4.39 854 743 A 41 LYS H A 41 LYS HGy 1.0 . 4.39 855 744 A 41 LYS HA A 41 LYS HGx 1.0 . 3.69 856 744 A 41 LYS HA A 41 LYS HGy 1.0 . 3.69 857 745 A 41 LYS HA A 44 ILE HG1y 1.0 . 3.91 858 745 A 41 LYS HA A 44 ILE HG1x 1.0 . 3.91 859 746 A 42 LYS H A 41 LYS HBx 1.0 . 4.21 860 746 A 42 LYS H A 41 LYS HBy 1.0 . 4.21 861 747 A 42 LYS H A 42 LYS HGx 1.0 . 4.46 862 747 A 42 LYS H A 42 LYS HGy 1.0 . 4.46 863 748 A 43 HIS H A 43 HIS HBx 1.0 . 3.41 864 748 A 43 HIS H A 43 HIS HBy 1.0 . 3.41 865 749 A 43 HIS HD2 A 43 HIS HBx 1.0 . 3.31 866 749 A 43 HIS HD2 A 43 HIS HBy 1.0 . 3.31 867 750 A 44 ILE H A 44 ILE HG1y 1.0 . 3.47 868 750 A 44 ILE H A 44 ILE HG1x 1.0 . 3.47 stop_ save_