data_Remediated_restraints_file_for_PDB_entry_1vm5 # This BMRB archive file contains, for PDB entry 1vm5: # # - Coordinates and sequence information from the PDB mmCIF file # - NMR restraints from the PDB MR file # # In this file, the coordinates and NMR restraints share the same atom names, # and in this way can differ from the data deposited at the wwPDB. To achieve # this aim, the NMR restraints were parsed from their original format files, and # the coordinates and NMR restraints information were subsequently harmonized. # # Due to the complexity of this harmonization process, minor modifications could # have occurred to the NMR restraints information, or data could have been lost # because of parsing or conversion errors. The PDB file remains the # authoritative reference for the atomic coordinates and the originally deposited # restraints files remain the primary reference for these data. # # This file is generated as part of the wwPDB at the BioMagResBank (BMRB) in # collaboration with the PDBe (formerly MSD) group at the European # Bioinformatics Institute (EBI) and the CMBI/IMM group at the Radboud # University of Nijmegen. # # Several software packages were used to produce this file: # # - Wattos (BMRB and CMBI/IMM). # - FormatConverter and NMRStarExport (PDBe). # - CCPN framework (http://www.ccpn.ac.uk/). # # More information about this process can be found in the references below. # Please cite the original reference for this PDB entry. # # JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL # Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED # containing converted and filtered sets of experimental NMR restraints and # coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12. # # WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL # Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy: # development of a software pipeline. Proteins 59, 687-696. # # JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister, # G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for # 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389-396. ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID rr_1vm5 _Entry.Title 'wwPDB remediated NMR restraints for PDB entry 1vm5' _Entry.Version_type original _Entry.NMR_STAR_version 3.1.0.8 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Contains the remediated restraint lists and coordinates for PDB entry 1vm5' _Entry.PDB_coordinate_file_version 3.20 loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1vm5 'Master copy' rr_1vm5 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID rr_1vm5 _Assembly.ID 1 _Assembly.Name 1vm5 _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 1480.7859 loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'peptide A5 or aurein 1 2' 1 $peptide_A5_or_aurein_1_2 A . no . . . . . . rr_1vm5 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_peptide_A5_or_aurein_1_2 _Entity.Sf_category entity _Entity.Sf_framecode peptide_A5_or_aurein_1_2 _Entity.Entry_ID rr_1vm5 _Entity.ID 1 _Entity.Name peptide_A5_or_aurein_1_2 _Entity.Type polymer _Entity.Polymer_type polypeptide(L) _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code GLFDIIKKIAESFX _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality yes _Entity.Nstd_linkage yes _Entity.Number_of_monomers 14 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Parent_entity_ID 1 _Entity.Formula_weight 1480.7859 loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . rr_1vm5 1 2 . LEU . rr_1vm5 1 3 . PHE . rr_1vm5 1 4 . ASP . rr_1vm5 1 5 . ILE . rr_1vm5 1 6 . ILE . rr_1vm5 1 7 . LYS . rr_1vm5 1 8 . LYS . rr_1vm5 1 9 . ILE . rr_1vm5 1 10 . ALA . rr_1vm5 1 11 . GLU . rr_1vm5 1 12 . SER . rr_1vm5 1 13 . PHE . rr_1vm5 1 14 . NH2 . rr_1vm5 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 rr_1vm5 1 . LEU 2 2 rr_1vm5 1 . PHE 3 3 rr_1vm5 1 . ASP 4 4 rr_1vm5 1 . ILE 5 5 rr_1vm5 1 . ILE 6 6 rr_1vm5 1 . LYS 7 7 rr_1vm5 1 . LYS 8 8 rr_1vm5 1 . ILE 9 9 rr_1vm5 1 . ALA 10 10 rr_1vm5 1 . GLU 11 11 rr_1vm5 1 . SER 12 12 rr_1vm5 1 . PHE 13 13 rr_1vm5 1 . NH2 14 14 rr_1vm5 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_NH2 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NH2 _Chem_comp.Entry_ID rr_1vm5 _Chem_comp.ID NH2 _Chem_comp.Name 'AMINO GROUP' _Chem_comp.Type non-polymer _Chem_comp.PDB_code NH2 _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula 'H2 N' _Chem_comp.Formula_weight 16.0225 save_ ############################## # Structure determinations # ############################## ########################## # Conformer statistics # ########################## save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID rr_1vm5 _Conformer_stat_list.ID 1 _Conformer_stat_list.Conf_family_coord_set_ID 1 _Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures _Conformer_stat_list.Conformer_submitted_total_num 5 save_ ##################################### # Conformer family coordinate set # ##################################### save_ensemble_of_conformers _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Sf_framecode ensemble_of_conformers _Conformer_family_coord_set.Entry_ID rr_1vm5 _Conformer_family_coord_set.ID 1 loop_ _Conformer_family_refinement.Refine_method _Conformer_family_refinement.Refine_details _Conformer_family_refinement.Software_ID _Conformer_family_refinement.Software_label _Conformer_family_refinement.Entry_ID _Conformer_family_refinement.Conformer_family_coord_set_ID 1 . . . rr_1vm5 1 stop_ loop_ _Conformer_family_software.Software_ID _Conformer_family_software.Software_label _Conformer_family_software.Method_ID _Conformer_family_software.Method_label _Conformer_family_software.Entry_ID _Conformer_family_software.Conformer_family_coord_set_ID . . . . rr_1vm5 1 stop_ loop_ _Atom_site.Assembly_ID _Atom_site.Model_ID _Atom_site.Model_site_ID _Atom_site.ID _Atom_site.Assembly_atom_ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Cartn_x_esd _Atom_site.Cartn_y_esd _Atom_site.Cartn_z_esd _Atom_site.Occupancy _Atom_site.Occupancy_esd _Atom_site.Uncertainty _Atom_site.Ordered_flag _Atom_site.Footnote_ID _Atom_site.PDBX_label_asym_ID _Atom_site.PDBX_label_seq_ID _Atom_site.PDBX_label_comp_ID _Atom_site.PDBX_label_atom_ID _Atom_site.PDBX_formal_charge _Atom_site.PDBX_label_entity_ID _Atom_site.PDB_record_ID _Atom_site.PDB_model_num _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Auth_entity_assembly_ID _Atom_site.Auth_asym_ID _Atom_site.Auth_chain_ID _Atom_site.Auth_seq_ID _Atom_site.Auth_comp_ID _Atom_site.Auth_atom_ID _Atom_site.Auth_alt_ID _Atom_site.Auth_atom_name _Atom_site.Details _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID . 1 . 1 . 1 1 1 GLY C C 3.528 3.218 5.033 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_1vm5 1 . 1 . 2 . 1 1 1 GLY CA C 3.474 4.588 5.701 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_1vm5 1 . 1 . 3 . 1 1 1 GLY H1 H 2.926 6.526 5.169 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_1vm5 1 . 1 . 4 . 1 1 1 GLY H2 H 1.825 5.333 4.669 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . rr_1vm5 1 . 1 . 5 . 1 1 1 GLY H3 H 3.301 5.528 3.850 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . rr_1vm5 1 . 1 . 6 . 1 1 1 GLY HA2 H 4.477 4.917 5.935 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_1vm5 1 . 1 . 7 . 1 1 1 GLY HA3 H 2.896 4.519 6.609 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_1vm5 1 . 1 . 8 . 1 1 1 GLY N N 2.833 5.568 4.777 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_1vm5 1 . 1 . 9 . 1 1 1 GLY O O 3.267 2.197 5.668 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_1vm5 1 . 1 . 10 . 1 1 2 LEU C C 5.093 2.007 1.997 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_1vm5 1 . 1 . 11 . 1 1 2 LEU CA C 3.952 1.951 3.000 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_1vm5 1 . 1 . 12 . 1 1 2 LEU CB C 2.628 1.689 2.269 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_1vm5 1 . 1 . 13 . 1 1 2 LEU CD1 C 3.654 -0.447 1.430 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_1vm5 1 . 1 . 14 . 1 1 2 LEU CD2 C 2.136 -0.494 3.423 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_1vm5 1 . 1 . 15 . 1 1 2 LEU CG C 2.412 0.180 2.071 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_1vm5 1 . 1 . 16 . 1 1 2 LEU H H 4.064 4.048 3.291 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_1vm5 1 . 1 . 17 . 1 1 2 LEU HA H 4.143 1.144 3.687 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_1vm5 1 . 1 . 18 . 1 1 2 LEU HB2 H 1.814 2.093 2.853 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_1vm5 1 . 1 . 19 . 1 1 2 LEU HB3 H 2.648 2.175 1.305 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_1vm5 1 . 1 . 20 . 1 1 2 LEU HD11 H 3.971 0.157 0.593 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_1vm5 1 . 1 . 21 . 1 1 2 LEU HD12 H 3.415 -1.442 1.084 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_1vm5 1 . 1 . 22 . 1 1 2 LEU HD13 H 4.449 -0.502 2.157 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_1vm5 1 . 1 . 23 . 1 1 2 LEU HD21 H 1.462 -1.324 3.277 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_1vm5 1 . 1 . 24 . 1 1 2 LEU HD22 H 1.685 0.216 4.101 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_1vm5 1 . 1 . 25 . 1 1 2 LEU HD23 H 3.063 -0.856 3.847 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_1vm5 1 . 1 . 26 . 1 1 2 LEU HG H 1.565 0.028 1.418 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_1vm5 1 . 1 . 27 . 1 1 2 LEU N N 3.868 3.203 3.747 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_1vm5 1 . 1 . 28 . 1 1 2 LEU O O 6.055 1.251 2.101 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_1vm5 1 . 1 . 29 . 1 1 3 PHE C C 7.394 3.085 0.716 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . rr_1vm5 1 . 1 . 30 . 1 1 3 PHE CA C 6.037 3.016 0.022 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . rr_1vm5 1 . 1 . 31 . 1 1 3 PHE CB C 5.824 4.257 -0.858 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . rr_1vm5 1 . 1 . 32 . 1 1 3 PHE CD1 C 7.478 3.760 -2.707 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . rr_1vm5 1 . 1 . 33 . 1 1 3 PHE CD2 C 5.113 3.755 -3.230 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . rr_1vm5 1 . 1 . 34 . 1 1 3 PHE CE1 C 7.773 3.443 -4.038 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . rr_1vm5 1 . 1 . 35 . 1 1 3 PHE CE2 C 5.408 3.438 -4.561 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . rr_1vm5 1 . 1 . 36 . 1 1 3 PHE CG C 6.147 3.917 -2.300 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . rr_1vm5 1 . 1 . 37 . 1 1 3 PHE CZ C 6.738 3.282 -4.965 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . rr_1vm5 1 . 1 . 38 . 1 1 3 PHE H H 4.201 3.481 0.981 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . rr_1vm5 1 . 1 . 39 . 1 1 3 PHE HA H 6.010 2.137 -0.600 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . rr_1vm5 1 . 1 . 40 . 1 1 3 PHE HB2 H 4.794 4.576 -0.785 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . rr_1vm5 1 . 1 . 41 . 1 1 3 PHE HB3 H 6.470 5.056 -0.524 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . rr_1vm5 1 . 1 . 42 . 1 1 3 PHE HD1 H 8.277 3.882 -1.995 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . rr_1vm5 1 . 1 . 43 . 1 1 3 PHE HD2 H 4.088 3.873 -2.919 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . rr_1vm5 1 . 1 . 44 . 1 1 3 PHE HE1 H 8.801 3.322 -4.349 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . rr_1vm5 1 . 1 . 45 . 1 1 3 PHE HE2 H 4.608 3.314 -5.276 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . rr_1vm5 1 . 1 . 46 . 1 1 3 PHE HZ H 6.966 3.038 -5.992 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . rr_1vm5 1 . 1 . 47 . 1 1 3 PHE N N 4.987 2.900 1.024 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . rr_1vm5 1 . 1 . 48 . 1 1 3 PHE O O 8.375 2.516 0.246 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . rr_1vm5 1 . 1 . 49 . 1 1 4 ASP C C 9.335 2.512 2.721 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . rr_1vm5 1 . 1 . 50 . 1 1 4 ASP CA C 8.679 3.881 2.608 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . rr_1vm5 1 . 1 . 51 . 1 1 4 ASP CB C 8.396 4.438 4.005 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . rr_1vm5 1 . 1 . 52 . 1 1 4 ASP CG C 7.604 5.737 3.897 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . rr_1vm5 1 . 1 . 53 . 1 1 4 ASP H H 6.622 4.192 2.194 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . rr_1vm5 1 . 1 . 54 . 1 1 4 ASP HA H 9.349 4.549 2.090 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . rr_1vm5 1 . 1 . 55 . 1 1 4 ASP HB2 H 7.825 3.716 4.570 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . rr_1vm5 1 . 1 . 56 . 1 1 4 ASP HB3 H 9.330 4.631 4.510 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . rr_1vm5 1 . 1 . 57 . 1 1 4 ASP N N 7.438 3.769 1.853 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . rr_1vm5 1 . 1 . 58 . 1 1 4 ASP O O 10.542 2.370 2.528 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . rr_1vm5 1 . 1 . 59 . 1 1 4 ASP OD1 O 8.136 6.689 3.350 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . rr_1vm5 1 . 1 . 60 . 1 1 4 ASP OD2 O 6.476 5.761 4.363 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . rr_1vm5 1 . 1 . 61 . 1 1 5 ILE C C 9.602 -0.307 1.804 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . rr_1vm5 1 . 1 . 62 . 1 1 5 ILE CA C 9.013 0.154 3.137 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . rr_1vm5 1 . 1 . 63 . 1 1 5 ILE CB C 7.851 -0.729 3.561 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . rr_1vm5 1 . 1 . 64 . 1 1 5 ILE CD1 C 6.149 -1.034 5.350 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . rr_1vm5 1 . 1 . 65 . 1 1 5 ILE CG1 C 7.479 -0.382 5.001 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . rr_1vm5 1 . 1 . 66 . 1 1 5 ILE CG2 C 8.261 -2.187 3.471 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . rr_1vm5 1 . 1 . 67 . 1 1 5 ILE H H 7.573 1.665 3.154 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . rr_1vm5 1 . 1 . 68 . 1 1 5 ILE HA H 9.773 0.116 3.898 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . rr_1vm5 1 . 1 . 69 . 1 1 5 ILE HB H 7.001 -0.550 2.917 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . rr_1vm5 1 . 1 . 70 . 1 1 5 ILE HD11 H 5.973 -0.942 6.410 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . rr_1vm5 1 . 1 . 71 . 1 1 5 ILE HD12 H 6.180 -2.078 5.077 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . rr_1vm5 1 . 1 . 72 . 1 1 5 ILE HD13 H 5.357 -0.542 4.807 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . rr_1vm5 1 . 1 . 73 . 1 1 5 ILE HG12 H 8.247 -0.742 5.667 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . rr_1vm5 1 . 1 . 74 . 1 1 5 ILE HG13 H 7.389 0.690 5.101 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . rr_1vm5 1 . 1 . 75 . 1 1 5 ILE HG21 H 7.571 -2.787 4.041 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . rr_1vm5 1 . 1 . 76 . 1 1 5 ILE HG22 H 9.258 -2.302 3.867 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . rr_1vm5 1 . 1 . 77 . 1 1 5 ILE HG23 H 8.242 -2.495 2.439 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . rr_1vm5 1 . 1 . 78 . 1 1 5 ILE N N 8.525 1.503 3.019 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . rr_1vm5 1 . 1 . 79 . 1 1 5 ILE O O 10.652 -0.946 1.763 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . rr_1vm5 1 . 1 . 80 . 1 1 6 ILE C C 10.678 0.416 -0.924 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . rr_1vm5 1 . 1 . 81 . 1 1 6 ILE CA C 9.361 -0.282 -0.620 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . rr_1vm5 1 . 1 . 82 . 1 1 6 ILE CB C 8.277 0.185 -1.580 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . rr_1vm5 1 . 1 . 83 . 1 1 6 ILE CD1 C 5.900 -0.263 -2.156 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . rr_1vm5 1 . 1 . 84 . 1 1 6 ILE CG1 C 7.204 -0.896 -1.688 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . rr_1vm5 1 . 1 . 85 . 1 1 6 ILE CG2 C 8.865 0.485 -2.950 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . rr_1vm5 1 . 1 . 86 . 1 1 6 ILE H H 8.108 0.575 0.815 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . rr_1vm5 1 . 1 . 87 . 1 1 6 ILE HA H 9.485 -1.349 -0.713 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . rr_1vm5 1 . 1 . 88 . 1 1 6 ILE HB H 7.831 1.083 -1.192 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . rr_1vm5 1 . 1 . 89 . 1 1 6 ILE HD11 H 5.327 0.047 -1.296 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . rr_1vm5 1 . 1 . 90 . 1 1 6 ILE HD12 H 5.337 -0.983 -2.726 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . rr_1vm5 1 . 1 . 91 . 1 1 6 ILE HD13 H 6.118 0.598 -2.772 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . rr_1vm5 1 . 1 . 92 . 1 1 6 ILE HG12 H 7.520 -1.645 -2.390 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . rr_1vm5 1 . 1 . 93 . 1 1 6 ILE HG13 H 7.051 -1.352 -0.721 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . rr_1vm5 1 . 1 . 94 . 1 1 6 ILE HG21 H 9.351 1.450 -2.923 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . rr_1vm5 1 . 1 . 95 . 1 1 6 ILE HG22 H 8.073 0.500 -3.682 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . rr_1vm5 1 . 1 . 96 . 1 1 6 ILE HG23 H 9.584 -0.275 -3.205 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . rr_1vm5 1 . 1 . 97 . 1 1 6 ILE N N 8.923 0.052 0.719 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . rr_1vm5 1 . 1 . 98 . 1 1 6 ILE O O 11.491 -0.063 -1.713 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . rr_1vm5 1 . 1 . 99 . 1 1 7 LYS C C 13.200 1.663 0.360 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . rr_1vm5 1 . 1 . 100 . 1 1 7 LYS CA C 12.094 2.320 -0.439 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . rr_1vm5 1 . 1 . 101 . 1 1 7 LYS CB C 11.883 3.758 0.046 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . rr_1vm5 1 . 1 . 102 . 1 1 7 LYS CD C 11.109 4.945 -2.035 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . rr_1vm5 1 . 1 . 103 . 1 1 7 LYS CE C 11.712 6.346 -1.868 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . rr_1vm5 1 . 1 . 104 . 1 1 7 LYS CG C 10.682 4.376 -0.673 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . rr_1vm5 1 . 1 . 105 . 1 1 7 LYS H H 10.192 1.859 0.351 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . rr_1vm5 1 . 1 . 106 . 1 1 7 LYS HA H 12.369 2.330 -1.484 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . rr_1vm5 1 . 1 . 107 . 1 1 7 LYS HB2 H 11.697 3.750 1.110 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . rr_1vm5 1 . 1 . 108 . 1 1 7 LYS HB3 H 12.765 4.340 -0.160 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . rr_1vm5 1 . 1 . 109 . 1 1 7 LYS HD2 H 11.844 4.292 -2.483 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . rr_1vm5 1 . 1 . 110 . 1 1 7 LYS HD3 H 10.245 5.003 -2.681 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . rr_1vm5 1 . 1 . 111 . 1 1 7 LYS HE2 H 11.461 6.948 -2.729 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . rr_1vm5 1 . 1 . 112 . 1 1 7 LYS HE3 H 11.317 6.814 -0.978 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . rr_1vm5 1 . 1 . 113 . 1 1 7 LYS HG2 H 9.936 3.617 -0.825 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . rr_1vm5 1 . 1 . 114 . 1 1 7 LYS HG3 H 10.267 5.166 -0.066 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . rr_1vm5 1 . 1 . 115 . 1 1 7 LYS HZ1 H 13.457 5.251 -1.566 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . rr_1vm5 1 . 1 . 116 . 1 1 7 LYS HZ2 H 13.528 6.843 -0.978 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . rr_1vm5 1 . 1 . 117 . 1 1 7 LYS HZ3 H 13.633 6.544 -2.648 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . rr_1vm5 1 . 1 . 118 . 1 1 7 LYS N N 10.875 1.548 -0.270 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . rr_1vm5 1 . 1 . 119 . 1 1 7 LYS NZ N 13.194 6.238 -1.756 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . rr_1vm5 1 . 1 . 120 . 1 1 7 LYS O O 14.371 1.715 -0.013 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . rr_1vm5 1 . 1 . 121 . 1 1 8 LYS C C 14.152 -0.975 1.577 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . rr_1vm5 1 . 1 . 122 . 1 1 8 LYS CA C 13.776 0.314 2.278 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . rr_1vm5 1 . 1 . 123 . 1 1 8 LYS CB C 13.194 0.020 3.669 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . rr_1vm5 1 . 1 . 124 . 1 1 8 LYS CD C 12.841 2.421 4.292 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . rr_1vm5 1 . 1 . 125 . 1 1 8 LYS CE C 13.418 3.584 5.101 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . rr_1vm5 1 . 1 . 126 . 1 1 8 LYS CG C 13.585 1.133 4.650 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . rr_1vm5 1 . 1 . 127 . 1 1 8 LYS H H 11.856 0.986 1.686 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . rr_1vm5 1 . 1 . 128 . 1 1 8 LYS HA H 14.659 0.922 2.370 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . rr_1vm5 1 . 1 . 129 . 1 1 8 LYS HB2 H 12.117 -0.034 3.602 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . rr_1vm5 1 . 1 . 130 . 1 1 8 LYS HB3 H 13.578 -0.923 4.031 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . rr_1vm5 1 . 1 . 131 . 1 1 8 LYS HD2 H 12.956 2.622 3.237 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . rr_1vm5 1 . 1 . 132 . 1 1 8 LYS HD3 H 11.793 2.307 4.526 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . rr_1vm5 1 . 1 . 133 . 1 1 8 LYS HE2 H 12.788 4.454 4.980 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . rr_1vm5 1 . 1 . 134 . 1 1 8 LYS HE3 H 13.460 3.312 6.145 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . rr_1vm5 1 . 1 . 135 . 1 1 8 LYS HG2 H 13.323 0.833 5.654 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . rr_1vm5 1 . 1 . 136 . 1 1 8 LYS HG3 H 14.650 1.307 4.595 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . rr_1vm5 1 . 1 . 137 . 1 1 8 LYS HZ1 H 14.734 4.352 3.682 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . rr_1vm5 1 . 1 . 138 . 1 1 8 LYS HZ2 H 15.336 3.010 4.531 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . rr_1vm5 1 . 1 . 139 . 1 1 8 LYS HZ3 H 15.263 4.532 5.283 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . rr_1vm5 1 . 1 . 140 . 1 1 8 LYS N N 12.810 1.013 1.451 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . rr_1vm5 1 . 1 . 141 . 1 1 8 LYS NZ N 14.791 3.893 4.612 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . rr_1vm5 1 . 1 . 142 . 1 1 8 LYS O O 15.299 -1.418 1.631 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . rr_1vm5 1 . 1 . 143 . 1 1 9 ILE C C 14.454 -2.451 -0.931 . . . 1.0 . . . . . . . . . . . . A . 9 ILE C . . . . . . . . . rr_1vm5 1 . 1 . 144 . 1 1 9 ILE CA C 13.411 -2.743 0.124 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CA . . . . . . . . . rr_1vm5 1 . 1 . 145 . 1 1 9 ILE CB C 12.101 -3.119 -0.525 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CB . . . . . . . . . rr_1vm5 1 . 1 . 146 . 1 1 9 ILE CD1 C 9.795 -3.904 -0.036 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CD1 . . . . . . . . . rr_1vm5 1 . 1 . 147 . 1 1 9 ILE CG1 C 11.202 -3.756 0.524 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG1 . . . . . . . . . rr_1vm5 1 . 1 . 148 . 1 1 9 ILE CG2 C 12.356 -4.089 -1.658 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG2 . . . . . . . . . rr_1vm5 1 . 1 . 149 . 1 1 9 ILE H H 12.290 -1.132 0.837 . . . 1.0 . . . . . . . . . . . . A . 9 ILE H . . . . . . . . . rr_1vm5 1 . 1 . 150 . 1 1 9 ILE HA H 13.744 -3.541 0.765 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HA . . . . . . . . . rr_1vm5 1 . 1 . 151 . 1 1 9 ILE HB H 11.627 -2.231 -0.914 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HB . . . . . . . . . rr_1vm5 1 . 1 . 152 . 1 1 9 ILE HD11 H 9.792 -3.648 -1.086 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD11 . . . . . . . . . rr_1vm5 1 . 1 . 153 . 1 1 9 ILE HD12 H 9.130 -3.244 0.497 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD12 . . . . . . . . . rr_1vm5 1 . 1 . 154 . 1 1 9 ILE HD13 H 9.469 -4.923 0.088 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD13 . . . . . . . . . rr_1vm5 1 . 1 . 155 . 1 1 9 ILE HG12 H 11.594 -4.720 0.790 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG12 . . . . . . . . . rr_1vm5 1 . 1 . 156 . 1 1 9 ILE HG13 H 11.173 -3.129 1.401 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG13 . . . . . . . . . rr_1vm5 1 . 1 . 157 . 1 1 9 ILE HG21 H 13.049 -4.843 -1.325 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG21 . . . . . . . . . rr_1vm5 1 . 1 . 158 . 1 1 9 ILE HG22 H 12.776 -3.550 -2.495 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG22 . . . . . . . . . rr_1vm5 1 . 1 . 159 . 1 1 9 ILE HG23 H 11.428 -4.547 -1.951 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG23 . . . . . . . . . rr_1vm5 1 . 1 . 160 . 1 1 9 ILE N N 13.182 -1.546 0.878 . . . 1.0 . . . . . . . . . . . . A . 9 ILE N . . . . . . . . . rr_1vm5 1 . 1 . 161 . 1 1 9 ILE O O 15.199 -3.327 -1.370 . . . 1.0 . . . . . . . . . . . . A . 9 ILE O . . . . . . . . . rr_1vm5 1 . 1 . 162 . 1 1 10 ALA C C 16.806 -0.561 -1.697 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_1vm5 1 . 1 . 163 . 1 1 10 ALA CA C 15.428 -0.722 -2.319 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_1vm5 1 . 1 . 164 . 1 1 10 ALA CB C 14.951 0.608 -2.891 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_1vm5 1 . 1 . 165 . 1 1 10 ALA H H 13.856 -0.557 -0.909 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_1vm5 1 . 1 . 166 . 1 1 10 ALA HA H 15.483 -1.445 -3.113 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_1vm5 1 . 1 . 167 . 1 1 10 ALA HB1 H 15.458 0.800 -3.823 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_1vm5 1 . 1 . 168 . 1 1 10 ALA HB2 H 15.168 1.399 -2.190 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_1vm5 1 . 1 . 169 . 1 1 10 ALA HB3 H 13.885 0.560 -3.062 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_1vm5 1 . 1 . 170 . 1 1 10 ALA N N 14.486 -1.190 -1.318 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_1vm5 1 . 1 . 171 . 1 1 10 ALA O O 17.821 -0.865 -2.323 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_1vm5 1 . 1 . 172 . 1 1 11 GLU C C 18.615 -1.292 0.678 . . . 1.0 . . . . . . . . . . . . A . 11 GLU C . . . . . . . . . rr_1vm5 1 . 1 . 173 . 1 1 11 GLU CA C 18.086 0.072 0.258 . . . 1.0 . . . . . . . . . . . . A . 11 GLU CA . . . . . . . . . rr_1vm5 1 . 1 . 174 . 1 1 11 GLU CB C 17.871 0.948 1.493 . . . 1.0 . . . . . . . . . . . . A . 11 GLU CB . . . . . . . . . rr_1vm5 1 . 1 . 175 . 1 1 11 GLU CD C 18.679 3.077 0.457 . . . 1.0 . . . . . . . . . . . . A . 11 GLU CD . . . . . . . . . rr_1vm5 1 . 1 . 176 . 1 1 11 GLU CG C 17.473 2.359 1.054 . . . 1.0 . . . . . . . . . . . . A . 11 GLU CG . . . . . . . . . rr_1vm5 1 . 1 . 177 . 1 1 11 GLU H H 15.988 0.108 0.001 . . . 1.0 . . . . . . . . . . . . A . 11 GLU H . . . . . . . . . rr_1vm5 1 . 1 . 178 . 1 1 11 GLU HA H 18.803 0.547 -0.394 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HA . . . . . . . . . rr_1vm5 1 . 1 . 179 . 1 1 11 GLU HB2 H 17.084 0.525 2.101 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HB2 . . . . . . . . . rr_1vm5 1 . 1 . 180 . 1 1 11 GLU HB3 H 18.785 0.995 2.064 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HB3 . . . . . . . . . rr_1vm5 1 . 1 . 181 . 1 1 11 GLU HG2 H 16.690 2.295 0.312 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HG2 . . . . . . . . . rr_1vm5 1 . 1 . 182 . 1 1 11 GLU HG3 H 17.114 2.912 1.908 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HG3 . . . . . . . . . rr_1vm5 1 . 1 . 183 . 1 1 11 GLU N N 16.830 -0.101 -0.452 . . . 1.0 . . . . . . . . . . . . A . 11 GLU N . . . . . . . . . rr_1vm5 1 . 1 . 184 . 1 1 11 GLU O O 19.791 -1.447 1.007 . . . 1.0 . . . . . . . . . . . . A . 11 GLU O . . . . . . . . . rr_1vm5 1 . 1 . 185 . 1 1 11 GLU OE1 O 19.503 3.547 1.224 . . . 1.0 . . . . . . . . . . . . A . 11 GLU OE1 . . . . . . . . . rr_1vm5 1 . 1 . 186 . 1 1 11 GLU OE2 O 18.760 3.147 -0.759 . . . 1.0 . . . . . . . . . . . . A . 11 GLU OE2 . . . . . . . . . rr_1vm5 1 . 1 . 187 . 1 1 12 SER C C 18.895 -4.291 -0.105 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . rr_1vm5 1 . 1 . 188 . 1 1 12 SER CA C 18.093 -3.643 1.017 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . rr_1vm5 1 . 1 . 189 . 1 1 12 SER CB C 16.834 -4.466 1.296 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . rr_1vm5 1 . 1 . 190 . 1 1 12 SER H H 16.806 -2.092 0.373 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . rr_1vm5 1 . 1 . 191 . 1 1 12 SER HA H 18.698 -3.615 1.911 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . rr_1vm5 1 . 1 . 192 . 1 1 12 SER HB2 H 16.124 -3.869 1.844 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . rr_1vm5 1 . 1 . 193 . 1 1 12 SER HB3 H 16.391 -4.776 0.358 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . rr_1vm5 1 . 1 . 194 . 1 1 12 SER HG H 17.707 -6.192 1.520 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . rr_1vm5 1 . 1 . 195 . 1 1 12 SER N N 17.726 -2.282 0.651 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . rr_1vm5 1 . 1 . 196 . 1 1 12 SER O O 19.777 -5.112 0.146 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . rr_1vm5 1 . 1 . 197 . 1 1 12 SER OG O 17.181 -5.607 2.070 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . rr_1vm5 1 . 1 . 198 . 1 1 13 PHE C C 19.768 -3.329 -3.418 . . . 1.0 . . . . . . . . . . . . A . 13 PHE C . . . . . . . . . rr_1vm5 1 . 1 . 199 . 1 1 13 PHE CA C 19.308 -4.448 -2.495 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CA . . . . . . . . . rr_1vm5 1 . 1 . 200 . 1 1 13 PHE CB C 18.432 -5.447 -3.268 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CB . . . . . . . . . rr_1vm5 1 . 1 . 201 . 1 1 13 PHE CD1 C 16.982 -3.704 -4.435 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CD1 . . . . . . . . . rr_1vm5 1 . 1 . 202 . 1 1 13 PHE CD2 C 15.902 -5.505 -3.219 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CD2 . . . . . . . . . rr_1vm5 1 . 1 . 203 . 1 1 13 PHE CE1 C 15.728 -3.209 -4.808 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CE1 . . . . . . . . . rr_1vm5 1 . 1 . 204 . 1 1 13 PHE CE2 C 14.652 -5.001 -3.588 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CE2 . . . . . . . . . rr_1vm5 1 . 1 . 205 . 1 1 13 PHE CG C 17.077 -4.859 -3.638 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CG . . . . . . . . . rr_1vm5 1 . 1 . 206 . 1 1 13 PHE CZ C 14.564 -3.856 -4.385 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CZ . . . . . . . . . rr_1vm5 1 . 1 . 207 . 1 1 13 PHE H H 17.890 -3.238 -1.486 . . . 1.0 . . . . . . . . . . . . A . 13 PHE H . . . . . . . . . rr_1vm5 1 . 1 . 208 . 1 1 13 PHE HA H 20.185 -4.972 -2.140 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HA . . . . . . . . . rr_1vm5 1 . 1 . 209 . 1 1 13 PHE HB2 H 18.945 -5.735 -4.172 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HB2 . . . . . . . . . rr_1vm5 1 . 1 . 210 . 1 1 13 PHE HB3 H 18.282 -6.326 -2.657 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HB3 . . . . . . . . . rr_1vm5 1 . 1 . 211 . 1 1 13 PHE HD1 H 17.869 -3.195 -4.763 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HD1 . . . . . . . . . rr_1vm5 1 . 1 . 212 . 1 1 13 PHE HD2 H 15.960 -6.385 -2.597 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HD2 . . . . . . . . . rr_1vm5 1 . 1 . 213 . 1 1 13 PHE HE1 H 15.659 -2.323 -5.421 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HE1 . . . . . . . . . rr_1vm5 1 . 1 . 214 . 1 1 13 PHE HE2 H 13.754 -5.506 -3.268 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HE2 . . . . . . . . . rr_1vm5 1 . 1 . 215 . 1 1 13 PHE HZ H 13.597 -3.472 -4.674 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HZ . . . . . . . . . rr_1vm5 1 . 1 . 216 . 1 1 13 PHE N N 18.594 -3.905 -1.345 . . . 1.0 . . . . . . . . . . . . A . 13 PHE N . . . . . . . . . rr_1vm5 1 . 1 . 217 . 1 1 13 PHE O O 20.149 -3.577 -4.563 . . . 1.0 . . . . . . . . . . . . A . 13 PHE O . . . . . . . . . rr_1vm5 1 . 1 . 218 . 1 1 14 NH2 HN1 H 19.450 -1.904 -2.074 . . . 1.0 . . . . . . . . . . . . A . 14 NH2 HN1 . . . . . . . . . rr_1vm5 1 . 1 . 219 . 1 1 14 NH2 HN2 H 20.046 -1.370 -3.569 . . . 1.0 . . . . . . . . . . . . A . 14 NH2 HN2 . . . . . . . . . rr_1vm5 1 . 1 . 220 . 1 1 14 NH2 N N 19.754 -2.099 -2.985 . . . 1.0 . . . . . . . . . . . . A . 14 NH2 N . . . . . . . . . rr_1vm5 1 . 2 . 221 . 1 1 1 GLY C C 3.537 3.198 2.038 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_1vm5 1 . 2 . 222 . 1 1 1 GLY CA C 2.383 3.685 1.170 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_1vm5 1 . 2 . 223 . 1 1 1 GLY H1 H 1.023 2.200 1.704 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_1vm5 1 . 2 . 224 . 1 1 1 GLY H2 H 2.055 1.768 0.425 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . rr_1vm5 1 . 2 . 225 . 1 1 1 GLY H3 H 0.769 2.845 0.156 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . rr_1vm5 1 . 2 . 226 . 1 1 1 GLY HA2 H 2.772 4.112 0.257 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_1vm5 1 . 2 . 227 . 1 1 1 GLY HA3 H 1.822 4.434 1.709 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_1vm5 1 . 2 . 228 . 1 1 1 GLY N N 1.490 2.538 0.839 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_1vm5 1 . 2 . 229 . 1 1 1 GLY O O 4.641 3.740 1.982 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_1vm5 1 . 2 . 230 . 1 1 2 LEU C C 5.266 0.750 2.918 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_1vm5 1 . 2 . 231 . 1 1 2 LEU CA C 4.301 1.617 3.716 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_1vm5 1 . 2 . 232 . 1 1 2 LEU CB C 3.643 0.786 4.828 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_1vm5 1 . 2 . 233 . 1 1 2 LEU CD1 C 5.929 0.432 5.806 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_1vm5 1 . 2 . 234 . 1 1 2 LEU CD2 C 4.465 2.265 6.696 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_1vm5 1 . 2 . 235 . 1 1 2 LEU CG C 4.485 0.842 6.112 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_1vm5 1 . 2 . 236 . 1 1 2 LEU H H 2.377 1.779 2.841 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_1vm5 1 . 2 . 237 . 1 1 2 LEU HA H 4.855 2.427 4.159 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_1vm5 1 . 2 . 238 . 1 1 2 LEU HB2 H 2.657 1.177 5.029 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_1vm5 1 . 2 . 239 . 1 1 2 LEU HB3 H 3.557 -0.242 4.505 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_1vm5 1 . 2 . 240 . 1 1 2 LEU HD11 H 6.426 0.156 6.724 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_1vm5 1 . 2 . 241 . 1 1 2 LEU HD12 H 6.451 1.260 5.350 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_1vm5 1 . 2 . 242 . 1 1 2 LEU HD13 H 5.929 -0.410 5.130 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_1vm5 1 . 2 . 243 . 1 1 2 LEU HD21 H 4.484 2.209 7.774 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_1vm5 1 . 2 . 244 . 1 1 2 LEU HD22 H 3.567 2.776 6.381 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_1vm5 1 . 2 . 245 . 1 1 2 LEU HD23 H 5.329 2.813 6.351 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_1vm5 1 . 2 . 246 . 1 1 2 LEU HG H 4.070 0.154 6.835 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_1vm5 1 . 2 . 247 . 1 1 2 LEU N N 3.275 2.171 2.839 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_1vm5 1 . 2 . 248 . 1 1 2 LEU O O 6.483 0.879 3.050 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_1vm5 1 . 2 . 249 . 1 1 3 PHE C C 6.464 -0.157 0.380 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . rr_1vm5 1 . 2 . 250 . 1 1 3 PHE CA C 5.567 -0.997 1.280 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . rr_1vm5 1 . 2 . 251 . 1 1 3 PHE CB C 4.723 -1.953 0.432 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . rr_1vm5 1 . 2 . 252 . 1 1 3 PHE CD1 C 5.703 -4.173 1.132 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . rr_1vm5 1 . 2 . 253 . 1 1 3 PHE CD2 C 6.107 -3.383 -1.126 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . rr_1vm5 1 . 2 . 254 . 1 1 3 PHE CE1 C 6.449 -5.326 0.862 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . rr_1vm5 1 . 2 . 255 . 1 1 3 PHE CE2 C 6.853 -4.537 -1.394 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . rr_1vm5 1 . 2 . 256 . 1 1 3 PHE CG C 5.530 -3.200 0.138 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . rr_1vm5 1 . 2 . 257 . 1 1 3 PHE CZ C 7.024 -5.508 -0.401 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . rr_1vm5 1 . 2 . 258 . 1 1 3 PHE H H 3.748 -0.190 2.014 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . rr_1vm5 1 . 2 . 259 . 1 1 3 PHE HA H 6.187 -1.578 1.944 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . rr_1vm5 1 . 2 . 260 . 1 1 3 PHE HB2 H 3.828 -2.221 0.975 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . rr_1vm5 1 . 2 . 261 . 1 1 3 PHE HB3 H 4.451 -1.473 -0.496 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . rr_1vm5 1 . 2 . 262 . 1 1 3 PHE HD1 H 5.263 -4.033 2.108 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . rr_1vm5 1 . 2 . 263 . 1 1 3 PHE HD2 H 5.980 -2.634 -1.892 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . rr_1vm5 1 . 2 . 264 . 1 1 3 PHE HE1 H 6.582 -6.075 1.628 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . rr_1vm5 1 . 2 . 265 . 1 1 3 PHE HE2 H 7.297 -4.679 -2.368 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . rr_1vm5 1 . 2 . 266 . 1 1 3 PHE HZ H 7.599 -6.398 -0.609 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . rr_1vm5 1 . 2 . 267 . 1 1 3 PHE N N 4.722 -0.129 2.086 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . rr_1vm5 1 . 2 . 268 . 1 1 3 PHE O O 7.503 -0.621 -0.088 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . rr_1vm5 1 . 2 . 269 . 1 1 4 ASP C C 8.207 2.214 0.000 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . rr_1vm5 1 . 2 . 270 . 1 1 4 ASP CA C 6.861 1.989 -0.669 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . rr_1vm5 1 . 2 . 271 . 1 1 4 ASP CB C 6.139 3.326 -0.850 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . rr_1vm5 1 . 2 . 272 . 1 1 4 ASP CG C 4.739 3.091 -1.407 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . rr_1vm5 1 . 2 . 273 . 1 1 4 ASP H H 5.237 1.417 0.565 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . rr_1vm5 1 . 2 . 274 . 1 1 4 ASP HA H 7.018 1.536 -1.635 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . rr_1vm5 1 . 2 . 275 . 1 1 4 ASP HB2 H 6.066 3.825 0.105 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . rr_1vm5 1 . 2 . 276 . 1 1 4 ASP HB3 H 6.697 3.945 -1.536 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . rr_1vm5 1 . 2 . 277 . 1 1 4 ASP N N 6.066 1.092 0.157 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . rr_1vm5 1 . 2 . 278 . 1 1 4 ASP O O 9.257 2.092 -0.627 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . rr_1vm5 1 . 2 . 279 . 1 1 4 ASP OD1 O 3.994 2.347 -0.791 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . rr_1vm5 1 . 2 . 280 . 1 1 4 ASP OD2 O 4.431 3.660 -2.441 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . rr_1vm5 1 . 2 . 281 . 1 1 5 ILE C C 10.249 1.485 1.970 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . rr_1vm5 1 . 2 . 282 . 1 1 5 ILE CA C 9.364 2.728 2.054 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . rr_1vm5 1 . 2 . 283 . 1 1 5 ILE CB C 8.949 3.015 3.488 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . rr_1vm5 1 . 2 . 284 . 1 1 5 ILE CD1 C 7.655 4.610 4.893 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . rr_1vm5 1 . 2 . 285 . 1 1 5 ILE CG1 C 8.333 4.411 3.544 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . rr_1vm5 1 . 2 . 286 . 1 1 5 ILE CG2 C 10.162 2.951 4.398 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . rr_1vm5 1 . 2 . 287 . 1 1 5 ILE H H 7.306 2.584 1.745 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . rr_1vm5 1 . 2 . 288 . 1 1 5 ILE HA H 9.896 3.582 1.664 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . rr_1vm5 1 . 2 . 289 . 1 1 5 ILE HB H 8.214 2.286 3.806 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . rr_1vm5 1 . 2 . 290 . 1 1 5 ILE HD11 H 7.415 5.654 5.022 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . rr_1vm5 1 . 2 . 291 . 1 1 5 ILE HD12 H 8.323 4.291 5.679 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . rr_1vm5 1 . 2 . 292 . 1 1 5 ILE HD13 H 6.750 4.023 4.928 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . rr_1vm5 1 . 2 . 293 . 1 1 5 ILE HG12 H 9.107 5.151 3.414 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . rr_1vm5 1 . 2 . 294 . 1 1 5 ILE HG13 H 7.600 4.514 2.758 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . rr_1vm5 1 . 2 . 295 . 1 1 5 ILE HG21 H 9.931 3.430 5.335 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . rr_1vm5 1 . 2 . 296 . 1 1 5 ILE HG22 H 10.990 3.455 3.924 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . rr_1vm5 1 . 2 . 297 . 1 1 5 ILE HG23 H 10.417 1.919 4.572 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . rr_1vm5 1 . 2 . 298 . 1 1 5 ILE N N 8.165 2.517 1.289 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . rr_1vm5 1 . 2 . 299 . 1 1 5 ILE O O 11.463 1.581 1.797 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . rr_1vm5 1 . 2 . 300 . 1 1 6 ILE C C 10.991 -1.059 0.611 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . rr_1vm5 1 . 2 . 301 . 1 1 6 ILE CA C 10.314 -0.945 1.969 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . rr_1vm5 1 . 2 . 302 . 1 1 6 ILE CB C 9.282 -2.048 2.142 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . rr_1vm5 1 . 2 . 303 . 1 1 6 ILE CD1 C 7.707 -2.958 3.845 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . rr_1vm5 1 . 2 . 304 . 1 1 6 ILE CG1 C 9.069 -2.304 3.633 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . rr_1vm5 1 . 2 . 305 . 1 1 6 ILE CG2 C 9.744 -3.323 1.450 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . rr_1vm5 1 . 2 . 306 . 1 1 6 ILE H H 8.650 0.304 2.179 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . rr_1vm5 1 . 2 . 307 . 1 1 6 ILE HA H 11.053 -1.020 2.751 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . rr_1vm5 1 . 2 . 308 . 1 1 6 ILE HB H 8.354 -1.728 1.701 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . rr_1vm5 1 . 2 . 309 . 1 1 6 ILE HD11 H 6.969 -2.191 4.023 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . rr_1vm5 1 . 2 . 310 . 1 1 6 ILE HD12 H 7.757 -3.617 4.696 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . rr_1vm5 1 . 2 . 311 . 1 1 6 ILE HD13 H 7.437 -3.522 2.965 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . rr_1vm5 1 . 2 . 312 . 1 1 6 ILE HG12 H 9.845 -2.952 4.000 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . rr_1vm5 1 . 2 . 313 . 1 1 6 ILE HG13 H 9.100 -1.367 4.169 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . rr_1vm5 1 . 2 . 314 . 1 1 6 ILE HG21 H 9.583 -3.227 0.386 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . rr_1vm5 1 . 2 . 315 . 1 1 6 ILE HG22 H 9.177 -4.159 1.828 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . rr_1vm5 1 . 2 . 316 . 1 1 6 ILE HG23 H 10.793 -3.475 1.645 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . rr_1vm5 1 . 2 . 317 . 1 1 6 ILE N N 9.618 0.319 2.063 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . rr_1vm5 1 . 2 . 318 . 1 1 6 ILE O O 12.042 -1.684 0.469 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . rr_1vm5 1 . 2 . 319 . 1 1 7 LYS C C 12.072 0.570 -1.768 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . rr_1vm5 1 . 2 . 320 . 1 1 7 LYS CA C 10.932 -0.426 -1.726 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . rr_1vm5 1 . 2 . 321 . 1 1 7 LYS CB C 9.861 -0.041 -2.754 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . rr_1vm5 1 . 2 . 322 . 1 1 7 LYS CD C 9.605 -2.375 -3.658 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . rr_1vm5 1 . 2 . 323 . 1 1 7 LYS CE C 8.623 -3.108 -4.577 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . rr_1vm5 1 . 2 . 324 . 1 1 7 LYS CG C 8.890 -1.210 -2.956 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . rr_1vm5 1 . 2 . 325 . 1 1 7 LYS H H 9.562 0.069 -0.190 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . rr_1vm5 1 . 2 . 326 . 1 1 7 LYS HA H 11.313 -1.411 -1.956 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . rr_1vm5 1 . 2 . 327 . 1 1 7 LYS HB2 H 9.316 0.819 -2.400 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . rr_1vm5 1 . 2 . 328 . 1 1 7 LYS HB3 H 10.334 0.198 -3.694 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . rr_1vm5 1 . 2 . 329 . 1 1 7 LYS HD2 H 10.428 -1.995 -4.246 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . rr_1vm5 1 . 2 . 330 . 1 1 7 LYS HD3 H 9.981 -3.064 -2.917 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . rr_1vm5 1 . 2 . 331 . 1 1 7 LYS HE2 H 8.990 -4.104 -4.775 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . rr_1vm5 1 . 2 . 332 . 1 1 7 LYS HE3 H 7.657 -3.169 -4.098 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . rr_1vm5 1 . 2 . 333 . 1 1 7 LYS HG2 H 8.523 -1.540 -1.994 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . rr_1vm5 1 . 2 . 334 . 1 1 7 LYS HG3 H 8.059 -0.880 -3.562 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . rr_1vm5 1 . 2 . 335 . 1 1 7 LYS HZ1 H 8.026 -2.965 -6.567 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . rr_1vm5 1 . 2 . 336 . 1 1 7 LYS HZ2 H 9.441 -2.097 -6.203 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . rr_1vm5 1 . 2 . 337 . 1 1 7 LYS HZ3 H 7.927 -1.505 -5.709 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . rr_1vm5 1 . 2 . 338 . 1 1 7 LYS N N 10.382 -0.426 -0.379 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . rr_1vm5 1 . 2 . 339 . 1 1 7 LYS NZ N 8.494 -2.363 -5.861 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . rr_1vm5 1 . 2 . 340 . 1 1 7 LYS O O 13.035 0.411 -2.518 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . rr_1vm5 1 . 2 . 341 . 1 1 8 LYS C C 14.171 2.006 -0.066 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . rr_1vm5 1 . 2 . 342 . 1 1 8 LYS CA C 13.000 2.594 -0.820 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . rr_1vm5 1 . 2 . 343 . 1 1 8 LYS CB C 12.475 3.830 -0.097 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . rr_1vm5 1 . 2 . 344 . 1 1 8 LYS CD C 11.343 5.952 -0.722 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . rr_1vm5 1 . 2 . 345 . 1 1 8 LYS CE C 10.103 6.567 -1.375 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . rr_1vm5 1 . 2 . 346 . 1 1 8 LYS CG C 11.323 4.441 -0.901 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . rr_1vm5 1 . 2 . 347 . 1 1 8 LYS H H 11.183 1.639 -0.329 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . rr_1vm5 1 . 2 . 348 . 1 1 8 LYS HA H 13.321 2.868 -1.807 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . rr_1vm5 1 . 2 . 349 . 1 1 8 LYS HB2 H 12.125 3.551 0.885 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . rr_1vm5 1 . 2 . 350 . 1 1 8 LYS HB3 H 13.272 4.552 -0.003 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . rr_1vm5 1 . 2 . 351 . 1 1 8 LYS HD2 H 11.351 6.181 0.333 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . rr_1vm5 1 . 2 . 352 . 1 1 8 LYS HD3 H 12.231 6.349 -1.186 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . rr_1vm5 1 . 2 . 353 . 1 1 8 LYS HE2 H 9.962 6.136 -2.355 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . rr_1vm5 1 . 2 . 354 . 1 1 8 LYS HE3 H 9.236 6.364 -0.764 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . rr_1vm5 1 . 2 . 355 . 1 1 8 LYS HG2 H 11.438 4.201 -1.949 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . rr_1vm5 1 . 2 . 356 . 1 1 8 LYS HG3 H 10.383 4.053 -0.543 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . rr_1vm5 1 . 2 . 357 . 1 1 8 LYS HZ1 H 11.054 8.237 -2.177 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . rr_1vm5 1 . 2 . 358 . 1 1 8 LYS HZ2 H 10.533 8.440 -0.572 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . rr_1vm5 1 . 2 . 359 . 1 1 8 LYS HZ3 H 9.408 8.472 -1.845 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . rr_1vm5 1 . 2 . 360 . 1 1 8 LYS N N 11.964 1.586 -0.918 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . rr_1vm5 1 . 2 . 361 . 1 1 8 LYS NZ N 10.288 8.040 -1.502 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . rr_1vm5 1 . 2 . 362 . 1 1 8 LYS O O 15.331 2.279 -0.373 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . rr_1vm5 1 . 2 . 363 . 1 1 9 ILE C C 15.679 -0.369 0.723 . . . 1.0 . . . . . . . . . . . . A . 9 ILE C . . . . . . . . . rr_1vm5 1 . 2 . 364 . 1 1 9 ILE CA C 14.857 0.481 1.664 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CA . . . . . . . . . rr_1vm5 1 . 2 . 365 . 1 1 9 ILE CB C 14.144 -0.390 2.670 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CB . . . . . . . . . rr_1vm5 1 . 2 . 366 . 1 1 9 ILE CD1 C 12.708 -0.324 4.698 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CD1 . . . . . . . . . rr_1vm5 1 . 2 . 367 . 1 1 9 ILE CG1 C 13.632 0.490 3.801 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG1 . . . . . . . . . rr_1vm5 1 . 2 . 368 . 1 1 9 ILE CG2 C 15.097 -1.435 3.205 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG2 . . . . . . . . . rr_1vm5 1 . 2 . 369 . 1 1 9 ILE H H 12.907 0.942 1.080 . . . 1.0 . . . . . . . . . . . . A . 9 ILE H . . . . . . . . . rr_1vm5 1 . 2 . 370 . 1 1 9 ILE HA H 15.488 1.189 2.174 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HA . . . . . . . . . rr_1vm5 1 . 2 . 371 . 1 1 9 ILE HB H 13.310 -0.879 2.191 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HB . . . . . . . . . rr_1vm5 1 . 2 . 372 . 1 1 9 ILE HD11 H 12.704 -1.355 4.374 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD11 . . . . . . . . . rr_1vm5 1 . 2 . 373 . 1 1 9 ILE HD12 H 11.711 0.078 4.635 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD12 . . . . . . . . . rr_1vm5 1 . 2 . 374 . 1 1 9 ILE HD13 H 13.059 -0.266 5.714 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD13 . . . . . . . . . rr_1vm5 1 . 2 . 375 . 1 1 9 ILE HG12 H 14.466 0.856 4.372 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG12 . . . . . . . . . rr_1vm5 1 . 2 . 376 . 1 1 9 ILE HG13 H 13.086 1.324 3.390 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG13 . . . . . . . . . rr_1vm5 1 . 2 . 377 . 1 1 9 ILE HG21 H 15.254 -2.189 2.448 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG21 . . . . . . . . . rr_1vm5 1 . 2 . 378 . 1 1 9 ILE HG22 H 14.674 -1.887 4.085 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG22 . . . . . . . . . rr_1vm5 1 . 2 . 379 . 1 1 9 ILE HG23 H 16.035 -0.963 3.447 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG23 . . . . . . . . . rr_1vm5 1 . 2 . 380 . 1 1 9 ILE N N 13.851 1.154 0.898 . . . 1.0 . . . . . . . . . . . . A . 9 ILE N . . . . . . . . . rr_1vm5 1 . 2 . 381 . 1 1 9 ILE O O 16.857 -0.641 0.953 . . . 1.0 . . . . . . . . . . . . A . 9 ILE O . . . . . . . . . rr_1vm5 1 . 2 . 382 . 1 1 10 ALA C C 16.537 -0.719 -2.250 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_1vm5 1 . 2 . 383 . 1 1 10 ALA CA C 15.656 -1.588 -1.366 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_1vm5 1 . 2 . 384 . 1 1 10 ALA CB C 14.591 -2.283 -2.207 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_1vm5 1 . 2 . 385 . 1 1 10 ALA H H 14.083 -0.500 -0.454 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_1vm5 1 . 2 . 386 . 1 1 10 ALA HA H 16.266 -2.335 -0.888 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_1vm5 1 . 2 . 387 . 1 1 10 ALA HB1 H 15.032 -3.122 -2.723 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_1vm5 1 . 2 . 388 . 1 1 10 ALA HB2 H 14.189 -1.586 -2.926 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_1vm5 1 . 2 . 389 . 1 1 10 ALA HB3 H 13.799 -2.633 -1.561 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_1vm5 1 . 2 . 390 . 1 1 10 ALA N N 15.022 -0.771 -0.348 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_1vm5 1 . 2 . 391 . 1 1 10 ALA O O 17.595 -1.149 -2.706 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_1vm5 1 . 2 . 392 . 1 1 11 GLU C C 18.029 1.988 -2.459 . . . 1.0 . . . . . . . . . . . . A . 11 GLU C . . . . . . . . . rr_1vm5 1 . 2 . 393 . 1 1 11 GLU CA C 16.866 1.449 -3.280 . . . 1.0 . . . . . . . . . . . . A . 11 GLU CA . . . . . . . . . rr_1vm5 1 . 2 . 394 . 1 1 11 GLU CB C 15.974 2.605 -3.738 . . . 1.0 . . . . . . . . . . . . A . 11 GLU CB . . . . . . . . . rr_1vm5 1 . 2 . 395 . 1 1 11 GLU CD C 14.207 3.283 -5.375 . . . 1.0 . . . . . . . . . . . . A . 11 GLU CD . . . . . . . . . rr_1vm5 1 . 2 . 396 . 1 1 11 GLU CG C 15.024 2.115 -4.832 . . . 1.0 . . . . . . . . . . . . A . 11 GLU CG . . . . . . . . . rr_1vm5 1 . 2 . 397 . 1 1 11 GLU H H 15.255 0.806 -2.067 . . . 1.0 . . . . . . . . . . . . A . 11 GLU H . . . . . . . . . rr_1vm5 1 . 2 . 398 . 1 1 11 GLU HA H 17.251 0.934 -4.147 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HA . . . . . . . . . rr_1vm5 1 . 2 . 399 . 1 1 11 GLU HB2 H 15.400 2.971 -2.898 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HB2 . . . . . . . . . rr_1vm5 1 . 2 . 400 . 1 1 11 GLU HB3 H 16.590 3.402 -4.128 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HB3 . . . . . . . . . rr_1vm5 1 . 2 . 401 . 1 1 11 GLU HG2 H 15.598 1.676 -5.635 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HG2 . . . . . . . . . rr_1vm5 1 . 2 . 402 . 1 1 11 GLU HG3 H 14.356 1.373 -4.421 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HG3 . . . . . . . . . rr_1vm5 1 . 2 . 403 . 1 1 11 GLU N N 16.099 0.515 -2.470 . . . 1.0 . . . . . . . . . . . . A . 11 GLU N . . . . . . . . . rr_1vm5 1 . 2 . 404 . 1 1 11 GLU O O 18.980 2.554 -2.998 . . . 1.0 . . . . . . . . . . . . A . 11 GLU O . . . . . . . . . rr_1vm5 1 . 2 . 405 . 1 1 11 GLU OE1 O 14.767 4.359 -5.510 . . . 1.0 . . . . . . . . . . . . A . 11 GLU OE1 . . . . . . . . . rr_1vm5 1 . 2 . 406 . 1 1 11 GLU OE2 O 13.035 3.084 -5.647 . . . 1.0 . . . . . . . . . . . . A . 11 GLU OE2 . . . . . . . . . rr_1vm5 1 . 2 . 407 . 1 1 12 SER C C 20.179 1.305 -0.295 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . rr_1vm5 1 . 2 . 408 . 1 1 12 SER CA C 18.987 2.253 -0.240 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . rr_1vm5 1 . 2 . 409 . 1 1 12 SER CB C 18.451 2.322 1.190 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . rr_1vm5 1 . 2 . 410 . 1 1 12 SER H H 17.159 1.333 -0.779 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . rr_1vm5 1 . 2 . 411 . 1 1 12 SER HA H 19.308 3.238 -0.542 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . rr_1vm5 1 . 2 . 412 . 1 1 12 SER HB2 H 17.848 3.207 1.307 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . rr_1vm5 1 . 2 . 413 . 1 1 12 SER HB3 H 17.846 1.448 1.389 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . rr_1vm5 1 . 2 . 414 . 1 1 12 SER HG H 20.038 3.179 1.920 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . rr_1vm5 1 . 2 . 415 . 1 1 12 SER N N 17.941 1.796 -1.145 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . rr_1vm5 1 . 2 . 416 . 1 1 12 SER O O 21.326 1.728 -0.149 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . rr_1vm5 1 . 2 . 417 . 1 1 12 SER OG O 19.543 2.376 2.098 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . rr_1vm5 1 . 2 . 418 . 1 1 13 PHE C C 20.802 -1.822 -1.863 . . . 1.0 . . . . . . . . . . . . A . 13 PHE C . . . . . . . . . rr_1vm5 1 . 2 . 419 . 1 1 13 PHE CA C 20.963 -0.976 -0.608 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CA . . . . . . . . . rr_1vm5 1 . 2 . 420 . 1 1 13 PHE CB C 20.979 -1.875 0.639 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CB . . . . . . . . . rr_1vm5 1 . 2 . 421 . 1 1 13 PHE CD1 C 18.997 -3.329 -0.041 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CD1 . . . . . . . . . rr_1vm5 1 . 2 . 422 . 1 1 13 PHE CD2 C 18.995 -2.291 2.153 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CD2 . . . . . . . . . rr_1vm5 1 . 2 . 423 . 1 1 13 PHE CE1 C 17.769 -3.935 0.249 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CE1 . . . . . . . . . rr_1vm5 1 . 2 . 424 . 1 1 13 PHE CE2 C 17.765 -2.895 2.434 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CE2 . . . . . . . . . rr_1vm5 1 . 2 . 425 . 1 1 13 PHE CG C 19.618 -2.502 0.913 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CG . . . . . . . . . rr_1vm5 1 . 2 . 426 . 1 1 13 PHE CZ C 17.155 -3.719 1.485 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CZ . . . . . . . . . rr_1vm5 1 . 2 . 427 . 1 1 13 PHE H H 18.969 -0.257 -0.640 . . . 1.0 . . . . . . . . . . . . A . 13 PHE H . . . . . . . . . rr_1vm5 1 . 2 . 428 . 1 1 13 PHE HA H 21.912 -0.463 -0.667 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HA . . . . . . . . . rr_1vm5 1 . 2 . 429 . 1 1 13 PHE HB2 H 21.703 -2.663 0.493 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HB2 . . . . . . . . . rr_1vm5 1 . 2 . 430 . 1 1 13 PHE HB3 H 21.275 -1.283 1.493 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HB3 . . . . . . . . . rr_1vm5 1 . 2 . 431 . 1 1 13 PHE HD1 H 19.458 -3.500 -0.996 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HD1 . . . . . . . . . rr_1vm5 1 . 2 . 432 . 1 1 13 PHE HD2 H 19.455 -1.651 2.888 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HD2 . . . . . . . . . rr_1vm5 1 . 2 . 433 . 1 1 13 PHE HE1 H 17.295 -4.570 -0.485 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HE1 . . . . . . . . . rr_1vm5 1 . 2 . 434 . 1 1 13 PHE HE2 H 17.295 -2.735 3.391 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HE2 . . . . . . . . . rr_1vm5 1 . 2 . 435 . 1 1 13 PHE HZ H 16.207 -4.188 1.706 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HZ . . . . . . . . . rr_1vm5 1 . 2 . 436 . 1 1 13 PHE N N 19.901 0.021 -0.520 . . . 1.0 . . . . . . . . . . . . A . 13 PHE N . . . . . . . . . rr_1vm5 1 . 2 . 437 . 1 1 13 PHE O O 21.467 -2.847 -2.017 . . . 1.0 . . . . . . . . . . . . A . 13 PHE O . . . . . . . . . rr_1vm5 1 . 2 . 438 . 1 1 14 NH2 HN1 H 19.423 -0.635 -2.655 . . . 1.0 . . . . . . . . . . . . A . 14 NH2 HN1 . . . . . . . . . rr_1vm5 1 . 2 . 439 . 1 1 14 NH2 HN2 H 19.838 -1.989 -3.589 . . . 1.0 . . . . . . . . . . . . A . 14 NH2 HN2 . . . . . . . . . rr_1vm5 1 . 2 . 440 . 1 1 14 NH2 N N 19.951 -1.451 -2.779 . . . 1.0 . . . . . . . . . . . . A . 14 NH2 N . . . . . . . . . rr_1vm5 1 . 3 . 441 . 1 1 1 GLY C C 5.676 7.365 1.905 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_1vm5 1 . 3 . 442 . 1 1 1 GLY CA C 4.823 8.155 0.918 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_1vm5 1 . 3 . 443 . 1 1 1 GLY H1 H 3.685 8.476 2.633 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_1vm5 1 . 3 . 444 . 1 1 1 GLY H2 H 2.768 8.322 1.212 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . rr_1vm5 1 . 3 . 445 . 1 1 1 GLY H3 H 3.629 9.753 1.519 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . rr_1vm5 1 . 3 . 446 . 1 1 1 GLY HA2 H 4.491 7.502 0.123 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_1vm5 1 . 3 . 447 . 1 1 1 GLY HA3 H 5.411 8.959 0.503 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_1vm5 1 . 3 . 448 . 1 1 1 GLY N N 3.637 8.719 1.624 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_1vm5 1 . 3 . 449 . 1 1 1 GLY O O 6.630 7.893 2.477 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_1vm5 1 . 3 . 450 . 1 1 2 LEU C C 6.484 3.949 2.326 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_1vm5 1 . 3 . 451 . 1 1 2 LEU CA C 6.058 5.235 3.024 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_1vm5 1 . 3 . 452 . 1 1 2 LEU CB C 5.177 4.904 4.234 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_1vm5 1 . 3 . 453 . 1 1 2 LEU CD1 C 6.688 6.086 5.864 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_1vm5 1 . 3 . 454 . 1 1 2 LEU CD2 C 5.170 4.247 6.639 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_1vm5 1 . 3 . 455 . 1 1 2 LEU CG C 6.046 4.741 5.486 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_1vm5 1 . 3 . 456 . 1 1 2 LEU H H 4.552 5.734 1.619 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_1vm5 1 . 3 . 457 . 1 1 2 LEU HA H 6.944 5.750 3.363 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_1vm5 1 . 3 . 458 . 1 1 2 LEU HB2 H 4.469 5.705 4.390 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_1vm5 1 . 3 . 459 . 1 1 2 LEU HB3 H 4.641 3.985 4.050 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_1vm5 1 . 3 . 460 . 1 1 2 LEU HD11 H 6.712 6.189 6.938 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_1vm5 1 . 3 . 461 . 1 1 2 LEU HD12 H 6.115 6.898 5.439 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_1vm5 1 . 3 . 462 . 1 1 2 LEU HD13 H 7.697 6.122 5.480 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_1vm5 1 . 3 . 463 . 1 1 2 LEU HD21 H 4.842 3.239 6.434 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_1vm5 1 . 3 . 464 . 1 1 2 LEU HD22 H 4.310 4.893 6.738 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_1vm5 1 . 3 . 465 . 1 1 2 LEU HD23 H 5.740 4.262 7.555 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_1vm5 1 . 3 . 466 . 1 1 2 LEU HG H 6.824 4.017 5.289 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_1vm5 1 . 3 . 467 . 1 1 2 LEU N N 5.323 6.097 2.102 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_1vm5 1 . 3 . 468 . 1 1 2 LEU O O 7.537 3.390 2.629 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_1vm5 1 . 3 . 469 . 1 1 3 PHE C C 7.325 2.432 -0.058 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . rr_1vm5 1 . 3 . 470 . 1 1 3 PHE CA C 5.987 2.267 0.662 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . rr_1vm5 1 . 3 . 471 . 1 1 3 PHE CB C 4.878 1.931 -0.344 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . rr_1vm5 1 . 3 . 472 . 1 1 3 PHE CD1 C 5.778 -0.394 -0.775 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . rr_1vm5 1 . 3 . 473 . 1 1 3 PHE CD2 C 3.447 -0.146 -0.165 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . rr_1vm5 1 . 3 . 474 . 1 1 3 PHE CE1 C 5.609 -1.781 -0.862 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . rr_1vm5 1 . 3 . 475 . 1 1 3 PHE CE2 C 3.277 -1.533 -0.254 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . rr_1vm5 1 . 3 . 476 . 1 1 3 PHE CG C 4.698 0.426 -0.427 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . rr_1vm5 1 . 3 . 477 . 1 1 3 PHE CZ C 4.358 -2.350 -0.603 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . rr_1vm5 1 . 3 . 478 . 1 1 3 PHE H H 4.839 3.971 1.182 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . rr_1vm5 1 . 3 . 479 . 1 1 3 PHE HA H 6.069 1.462 1.371 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . rr_1vm5 1 . 3 . 480 . 1 1 3 PHE HB2 H 3.954 2.387 -0.021 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . rr_1vm5 1 . 3 . 481 . 1 1 3 PHE HB3 H 5.144 2.314 -1.318 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . rr_1vm5 1 . 3 . 482 . 1 1 3 PHE HD1 H 6.741 0.039 -0.969 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . rr_1vm5 1 . 3 . 483 . 1 1 3 PHE HD2 H 2.615 0.481 0.108 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . rr_1vm5 1 . 3 . 484 . 1 1 3 PHE HE1 H 6.444 -2.410 -1.134 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . rr_1vm5 1 . 3 . 485 . 1 1 3 PHE HE2 H 2.313 -1.972 -0.054 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . rr_1vm5 1 . 3 . 486 . 1 1 3 PHE HZ H 4.226 -3.420 -0.672 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . rr_1vm5 1 . 3 . 487 . 1 1 3 PHE N N 5.665 3.486 1.388 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . rr_1vm5 1 . 3 . 488 . 1 1 3 PHE O O 8.124 1.501 -0.138 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . rr_1vm5 1 . 3 . 489 . 1 1 4 ASP C C 9.992 3.384 -0.415 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . rr_1vm5 1 . 3 . 490 . 1 1 4 ASP CA C 8.831 3.897 -1.256 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . rr_1vm5 1 . 3 . 491 . 1 1 4 ASP CB C 8.992 5.398 -1.503 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . rr_1vm5 1 . 3 . 492 . 1 1 4 ASP CG C 8.003 5.860 -2.569 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . rr_1vm5 1 . 3 . 493 . 1 1 4 ASP H H 6.915 4.348 -0.467 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . rr_1vm5 1 . 3 . 494 . 1 1 4 ASP HA H 8.831 3.380 -2.202 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . rr_1vm5 1 . 3 . 495 . 1 1 4 ASP HB2 H 8.805 5.934 -0.584 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . rr_1vm5 1 . 3 . 496 . 1 1 4 ASP HB3 H 9.998 5.601 -1.838 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . rr_1vm5 1 . 3 . 497 . 1 1 4 ASP N N 7.575 3.632 -0.567 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . rr_1vm5 1 . 3 . 498 . 1 1 4 ASP O O 10.801 2.582 -0.877 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . rr_1vm5 1 . 3 . 499 . 1 1 4 ASP OD1 O 7.093 5.105 -2.871 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . rr_1vm5 1 . 3 . 500 . 1 1 4 ASP OD2 O 8.170 6.960 -3.067 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . rr_1vm5 1 . 3 . 501 . 1 1 5 ILE C C 11.106 1.885 1.834 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . rr_1vm5 1 . 3 . 502 . 1 1 5 ILE CA C 11.088 3.411 1.735 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . rr_1vm5 1 . 3 . 503 . 1 1 5 ILE CB C 10.808 4.050 3.086 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . rr_1vm5 1 . 3 . 504 . 1 1 5 ILE CD1 C 10.601 6.260 4.222 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . rr_1vm5 1 . 3 . 505 . 1 1 5 ILE CG1 C 11.142 5.539 2.994 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . rr_1vm5 1 . 3 . 506 . 1 1 5 ILE CG2 C 11.664 3.393 4.156 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . rr_1vm5 1 . 3 . 507 . 1 1 5 ILE H H 9.376 4.459 1.156 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . rr_1vm5 1 . 3 . 508 . 1 1 5 ILE HA H 12.043 3.760 1.375 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . rr_1vm5 1 . 3 . 509 . 1 1 5 ILE HB H 9.761 3.931 3.333 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . rr_1vm5 1 . 3 . 510 . 1 1 5 ILE HD11 H 11.094 7.214 4.322 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . rr_1vm5 1 . 3 . 511 . 1 1 5 ILE HD12 H 10.788 5.661 5.101 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . rr_1vm5 1 . 3 . 512 . 1 1 5 ILE HD13 H 9.539 6.412 4.107 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . rr_1vm5 1 . 3 . 513 . 1 1 5 ILE HG12 H 12.211 5.664 2.941 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . rr_1vm5 1 . 3 . 514 . 1 1 5 ILE HG13 H 10.687 5.955 2.107 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . rr_1vm5 1 . 3 . 515 . 1 1 5 ILE HG21 H 12.637 3.167 3.748 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . rr_1vm5 1 . 3 . 516 . 1 1 5 ILE HG22 H 11.185 2.483 4.480 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . rr_1vm5 1 . 3 . 517 . 1 1 5 ILE HG23 H 11.769 4.065 4.993 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . rr_1vm5 1 . 3 . 518 . 1 1 5 ILE N N 10.052 3.835 0.829 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . rr_1vm5 1 . 3 . 519 . 1 1 5 ILE O O 12.165 1.261 1.797 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . rr_1vm5 1 . 3 . 520 . 1 1 6 ILE C C 10.356 -0.777 0.741 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . rr_1vm5 1 . 3 . 521 . 1 1 6 ILE CA C 9.779 -0.144 1.999 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . rr_1vm5 1 . 3 . 522 . 1 1 6 ILE CB C 8.294 -0.452 2.110 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . rr_1vm5 1 . 3 . 523 . 1 1 6 ILE CD1 C 6.369 -0.120 3.651 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . rr_1vm5 1 . 3 . 524 . 1 1 6 ILE CG1 C 7.870 -0.379 3.575 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . rr_1vm5 1 . 3 . 525 . 1 1 6 ILE CG2 C 7.993 -1.831 1.541 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . rr_1vm5 1 . 3 . 526 . 1 1 6 ILE H H 9.110 1.838 1.935 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . rr_1vm5 1 . 3 . 527 . 1 1 6 ILE HA H 10.290 -0.525 2.868 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . rr_1vm5 1 . 3 . 528 . 1 1 6 ILE HB H 7.746 0.280 1.549 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . rr_1vm5 1 . 3 . 529 . 1 1 6 ILE HD11 H 5.879 -0.596 2.814 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . rr_1vm5 1 . 3 . 530 . 1 1 6 ILE HD12 H 6.190 0.944 3.615 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . rr_1vm5 1 . 3 . 531 . 1 1 6 ILE HD13 H 5.982 -0.521 4.572 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . rr_1vm5 1 . 3 . 532 . 1 1 6 ILE HG12 H 8.106 -1.307 4.064 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . rr_1vm5 1 . 3 . 533 . 1 1 6 ILE HG13 H 8.396 0.428 4.064 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . rr_1vm5 1 . 3 . 534 . 1 1 6 ILE HG21 H 7.023 -2.154 1.883 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . rr_1vm5 1 . 3 . 535 . 1 1 6 ILE HG22 H 8.747 -2.526 1.870 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . rr_1vm5 1 . 3 . 536 . 1 1 6 ILE HG23 H 7.995 -1.776 0.462 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . rr_1vm5 1 . 3 . 537 . 1 1 6 ILE N N 9.919 1.295 1.929 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . rr_1vm5 1 . 3 . 538 . 1 1 6 ILE O O 10.865 -1.898 0.765 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . rr_1vm5 1 . 3 . 539 . 1 1 7 LYS C C 12.313 -0.293 -1.618 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . rr_1vm5 1 . 3 . 540 . 1 1 7 LYS CA C 10.812 -0.499 -1.621 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . rr_1vm5 1 . 3 . 541 . 1 1 7 LYS CB C 10.170 0.270 -2.781 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . rr_1vm5 1 . 3 . 542 . 1 1 7 LYS CD C 8.174 -0.319 -4.201 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . rr_1vm5 1 . 3 . 543 . 1 1 7 LYS CE C 6.659 -0.126 -4.290 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . rr_1vm5 1 . 3 . 544 . 1 1 7 LYS CG C 8.652 0.024 -2.786 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . rr_1vm5 1 . 3 . 545 . 1 1 7 LYS H H 9.880 0.854 -0.295 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . rr_1vm5 1 . 3 . 546 . 1 1 7 LYS HA H 10.599 -1.554 -1.731 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . rr_1vm5 1 . 3 . 547 . 1 1 7 LYS HB2 H 10.363 1.327 -2.661 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . rr_1vm5 1 . 3 . 548 . 1 1 7 LYS HB3 H 10.594 -0.068 -3.712 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . rr_1vm5 1 . 3 . 549 . 1 1 7 LYS HD2 H 8.662 0.329 -4.913 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . rr_1vm5 1 . 3 . 550 . 1 1 7 LYS HD3 H 8.416 -1.347 -4.422 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . rr_1vm5 1 . 3 . 551 . 1 1 7 LYS HE2 H 6.185 -0.598 -3.442 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . rr_1vm5 1 . 3 . 552 . 1 1 7 LYS HE3 H 6.430 0.930 -4.290 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . rr_1vm5 1 . 3 . 553 . 1 1 7 LYS HG2 H 8.418 -0.798 -2.125 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . rr_1vm5 1 . 3 . 554 . 1 1 7 LYS HG3 H 8.145 0.914 -2.446 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . rr_1vm5 1 . 3 . 555 . 1 1 7 LYS HZ1 H 6.884 -0.676 -6.286 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . rr_1vm5 1 . 3 . 556 . 1 1 7 LYS HZ2 H 5.297 -0.241 -5.861 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . rr_1vm5 1 . 3 . 557 . 1 1 7 LYS HZ3 H 5.928 -1.743 -5.379 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . rr_1vm5 1 . 3 . 558 . 1 1 7 LYS N N 10.282 -0.033 -0.352 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . rr_1vm5 1 . 3 . 559 . 1 1 7 LYS NZ N 6.154 -0.743 -5.549 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . rr_1vm5 1 . 3 . 560 . 1 1 7 LYS O O 13.061 -1.037 -2.252 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . rr_1vm5 1 . 3 . 561 . 1 1 8 LYS C C 14.770 -0.066 0.171 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . rr_1vm5 1 . 3 . 562 . 1 1 8 LYS CA C 14.160 0.986 -0.726 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . rr_1vm5 1 . 3 . 563 . 1 1 8 LYS CB C 14.378 2.374 -0.133 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . rr_1vm5 1 . 3 . 564 . 1 1 8 LYS CD C 14.643 4.693 -0.991 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . rr_1vm5 1 . 3 . 565 . 1 1 8 LYS CE C 13.943 5.834 -1.732 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . rr_1vm5 1 . 3 . 566 . 1 1 8 LYS CG C 13.800 3.430 -1.081 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . rr_1vm5 1 . 3 . 567 . 1 1 8 LYS H H 12.098 1.243 -0.352 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . rr_1vm5 1 . 3 . 568 . 1 1 8 LYS HA H 14.621 0.934 -1.691 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . rr_1vm5 1 . 3 . 569 . 1 1 8 LYS HB2 H 13.885 2.438 0.826 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . rr_1vm5 1 . 3 . 570 . 1 1 8 LYS HB3 H 15.437 2.546 -0.005 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . rr_1vm5 1 . 3 . 571 . 1 1 8 LYS HD2 H 14.771 4.958 0.048 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . rr_1vm5 1 . 3 . 572 . 1 1 8 LYS HD3 H 15.605 4.508 -1.439 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . rr_1vm5 1 . 3 . 573 . 1 1 8 LYS HE2 H 13.007 6.060 -1.243 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . rr_1vm5 1 . 3 . 574 . 1 1 8 LYS HE3 H 14.574 6.710 -1.724 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . rr_1vm5 1 . 3 . 575 . 1 1 8 LYS HG2 H 13.815 3.060 -2.096 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . rr_1vm5 1 . 3 . 576 . 1 1 8 LYS HG3 H 12.785 3.658 -0.796 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . rr_1vm5 1 . 3 . 577 . 1 1 8 LYS HZ1 H 13.499 6.266 -3.720 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . rr_1vm5 1 . 3 . 578 . 1 1 8 LYS HZ2 H 12.852 4.795 -3.169 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . rr_1vm5 1 . 3 . 579 . 1 1 8 LYS HZ3 H 14.510 4.920 -3.515 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . rr_1vm5 1 . 3 . 580 . 1 1 8 LYS N N 12.745 0.706 -0.856 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . rr_1vm5 1 . 3 . 581 . 1 1 8 LYS NZ N 13.681 5.423 -3.140 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . rr_1vm5 1 . 3 . 582 . 1 1 8 LYS O O 15.901 -0.506 -0.033 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . rr_1vm5 1 . 3 . 583 . 1 1 9 ILE C C 14.610 -2.797 1.257 . . . 1.0 . . . . . . . . . . . . A . 9 ILE C . . . . . . . . . rr_1vm5 1 . 3 . 584 . 1 1 9 ILE CA C 14.388 -1.528 2.046 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CA . . . . . . . . . rr_1vm5 1 . 3 . 585 . 1 1 9 ILE CB C 13.260 -1.714 3.032 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CB . . . . . . . . . rr_1vm5 1 . 3 . 586 . 1 1 9 ILE CD1 C 12.059 -0.614 4.906 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CD1 . . . . . . . . . rr_1vm5 1 . 3 . 587 . 1 1 9 ILE CG1 C 13.324 -0.596 4.061 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG1 . . . . . . . . . rr_1vm5 1 . 3 . 588 . 1 1 9 ILE CG2 C 13.377 -3.068 3.702 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG2 . . . . . . . . . rr_1vm5 1 . 3 . 589 . 1 1 9 ILE H H 13.070 -0.134 1.235 . . . 1.0 . . . . . . . . . . . . A . 9 ILE H . . . . . . . . . rr_1vm5 1 . 3 . 590 . 1 1 9 ILE HA H 15.289 -1.250 2.566 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HA . . . . . . . . . rr_1vm5 1 . 3 . 591 . 1 1 9 ILE HB H 12.319 -1.659 2.507 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HB . . . . . . . . . rr_1vm5 1 . 3 . 592 . 1 1 9 ILE HD11 H 11.464 0.252 4.669 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD11 . . . . . . . . . rr_1vm5 1 . 3 . 593 . 1 1 9 ILE HD12 H 12.327 -0.596 5.948 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD12 . . . . . . . . . rr_1vm5 1 . 3 . 594 . 1 1 9 ILE HD13 H 11.493 -1.509 4.691 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD13 . . . . . . . . . rr_1vm5 1 . 3 . 595 . 1 1 9 ILE HG12 H 14.186 -0.737 4.686 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG12 . . . . . . . . . rr_1vm5 1 . 3 . 596 . 1 1 9 ILE HG13 H 13.401 0.354 3.554 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG13 . . . . . . . . . rr_1vm5 1 . 3 . 597 . 1 1 9 ILE HG21 H 13.012 -3.825 3.023 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG21 . . . . . . . . . rr_1vm5 1 . 3 . 598 . 1 1 9 ILE HG22 H 12.787 -3.074 4.603 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG22 . . . . . . . . . rr_1vm5 1 . 3 . 599 . 1 1 9 ILE HG23 H 14.411 -3.261 3.937 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG23 . . . . . . . . . rr_1vm5 1 . 3 . 600 . 1 1 9 ILE N N 13.979 -0.497 1.141 . . . 1.0 . . . . . . . . . . . . A . 9 ILE N . . . . . . . . . rr_1vm5 1 . 3 . 601 . 1 1 9 ILE O O 15.402 -3.660 1.626 . . . 1.0 . . . . . . . . . . . . A . 9 ILE O . . . . . . . . . rr_1vm5 1 . 3 . 602 . 1 1 10 ALA C C 15.113 -3.848 -1.725 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_1vm5 1 . 3 . 603 . 1 1 10 ALA CA C 13.981 -4.034 -0.724 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_1vm5 1 . 3 . 604 . 1 1 10 ALA CB C 12.660 -4.223 -1.458 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_1vm5 1 . 3 . 605 . 1 1 10 ALA H H 13.281 -2.140 -0.070 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_1vm5 1 . 3 . 606 . 1 1 10 ALA HA H 14.178 -4.911 -0.133 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_1vm5 1 . 3 . 607 . 1 1 10 ALA HB1 H 12.741 -5.058 -2.134 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_1vm5 1 . 3 . 608 . 1 1 10 ALA HB2 H 12.428 -3.327 -2.013 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_1vm5 1 . 3 . 609 . 1 1 10 ALA HB3 H 11.877 -4.414 -0.739 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_1vm5 1 . 3 . 610 . 1 1 10 ALA N N 13.890 -2.881 0.155 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_1vm5 1 . 3 . 611 . 1 1 10 ALA O O 15.979 -4.710 -1.866 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_1vm5 1 . 3 . 612 . 1 1 11 GLU C C 17.519 -2.513 -2.691 . . . 1.0 . . . . . . . . . . . . A . 11 GLU C . . . . . . . . . rr_1vm5 1 . 3 . 613 . 1 1 11 GLU CA C 16.161 -2.427 -3.376 . . . 1.0 . . . . . . . . . . . . A . 11 GLU CA . . . . . . . . . rr_1vm5 1 . 3 . 614 . 1 1 11 GLU CB C 15.970 -1.032 -3.971 . . . 1.0 . . . . . . . . . . . . A . 11 GLU CB . . . . . . . . . rr_1vm5 1 . 3 . 615 . 1 1 11 GLU CD C 14.440 0.383 -5.357 . . . 1.0 . . . . . . . . . . . . A . 11 GLU CD . . . . . . . . . rr_1vm5 1 . 3 . 616 . 1 1 11 GLU CG C 14.770 -1.040 -4.920 . . . 1.0 . . . . . . . . . . . . A . 11 GLU CG . . . . . . . . . rr_1vm5 1 . 3 . 617 . 1 1 11 GLU H H 14.407 -2.053 -2.248 . . . 1.0 . . . . . . . . . . . . A . 11 GLU H . . . . . . . . . rr_1vm5 1 . 3 . 618 . 1 1 11 GLU HA H 16.118 -3.159 -4.169 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HA . . . . . . . . . rr_1vm5 1 . 3 . 619 . 1 1 11 GLU HB2 H 15.796 -0.323 -3.176 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HB2 . . . . . . . . . rr_1vm5 1 . 3 . 620 . 1 1 11 GLU HB3 H 16.856 -0.750 -4.518 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HB3 . . . . . . . . . rr_1vm5 1 . 3 . 621 . 1 1 11 GLU HG2 H 15.005 -1.637 -5.789 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HG2 . . . . . . . . . rr_1vm5 1 . 3 . 622 . 1 1 11 GLU HG3 H 13.916 -1.465 -4.414 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HG3 . . . . . . . . . rr_1vm5 1 . 3 . 623 . 1 1 11 GLU N N 15.113 -2.712 -2.407 . . . 1.0 . . . . . . . . . . . . A . 11 GLU N . . . . . . . . . rr_1vm5 1 . 3 . 624 . 1 1 11 GLU O O 18.544 -2.726 -3.337 . . . 1.0 . . . . . . . . . . . . A . 11 GLU O . . . . . . . . . rr_1vm5 1 . 3 . 625 . 1 1 11 GLU OE1 O 14.052 1.168 -4.508 . . . 1.0 . . . . . . . . . . . . A . 11 GLU OE1 . . . . . . . . . rr_1vm5 1 . 3 . 626 . 1 1 11 GLU OE2 O 14.581 0.667 -6.535 . . . 1.0 . . . . . . . . . . . . A . 11 GLU OE2 . . . . . . . . . rr_1vm5 1 . 3 . 627 . 1 1 12 SER C C 19.071 -3.880 -0.277 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . rr_1vm5 1 . 3 . 628 . 1 1 12 SER CA C 18.734 -2.427 -0.586 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . rr_1vm5 1 . 3 . 629 . 1 1 12 SER CB C 18.569 -1.648 0.719 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . rr_1vm5 1 . 3 . 630 . 1 1 12 SER H H 16.655 -2.197 -0.912 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . rr_1vm5 1 . 3 . 631 . 1 1 12 SER HA H 19.541 -1.992 -1.155 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . rr_1vm5 1 . 3 . 632 . 1 1 12 SER HB2 H 18.608 -0.590 0.517 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . rr_1vm5 1 . 3 . 633 . 1 1 12 SER HB3 H 17.614 -1.892 1.165 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . rr_1vm5 1 . 3 . 634 . 1 1 12 SER HG H 19.233 -2.255 2.444 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . rr_1vm5 1 . 3 . 635 . 1 1 12 SER N N 17.508 -2.356 -1.369 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . rr_1vm5 1 . 3 . 636 . 1 1 12 SER O O 20.240 -4.267 -0.263 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . rr_1vm5 1 . 3 . 637 . 1 1 12 SER OG O 19.624 -1.993 1.607 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . rr_1vm5 1 . 3 . 638 . 1 1 13 PHE C C 17.254 -6.945 -0.558 . . . 1.0 . . . . . . . . . . . . A . 13 PHE C . . . . . . . . . rr_1vm5 1 . 3 . 639 . 1 1 13 PHE CA C 18.230 -6.099 0.254 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CA . . . . . . . . . rr_1vm5 1 . 3 . 640 . 1 1 13 PHE CB C 18.068 -6.360 1.767 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CB . . . . . . . . . rr_1vm5 1 . 3 . 641 . 1 1 13 PHE CD1 C 16.057 -7.907 1.706 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CD1 . . . . . . . . . rr_1vm5 1 . 3 . 642 . 1 1 13 PHE CD2 C 15.890 -5.837 2.960 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CD2 . . . . . . . . . rr_1vm5 1 . 3 . 643 . 1 1 13 PHE CE1 C 14.749 -8.237 2.075 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CE1 . . . . . . . . . rr_1vm5 1 . 3 . 644 . 1 1 13 PHE CE2 C 14.583 -6.177 3.334 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CE2 . . . . . . . . . rr_1vm5 1 . 3 . 645 . 1 1 13 PHE CG C 16.633 -6.703 2.141 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CG . . . . . . . . . rr_1vm5 1 . 3 . 646 . 1 1 13 PHE CZ C 14.013 -7.374 2.890 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CZ . . . . . . . . . rr_1vm5 1 . 3 . 647 . 1 1 13 PHE H H 17.127 -4.319 -0.076 . . . 1.0 . . . . . . . . . . . . A . 13 PHE H . . . . . . . . . rr_1vm5 1 . 3 . 648 . 1 1 13 PHE HA H 19.236 -6.375 -0.034 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HA . . . . . . . . . rr_1vm5 1 . 3 . 649 . 1 1 13 PHE HB2 H 18.707 -7.182 2.053 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HB2 . . . . . . . . . rr_1vm5 1 . 3 . 650 . 1 1 13 PHE HB3 H 18.373 -5.476 2.309 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HB3 . . . . . . . . . rr_1vm5 1 . 3 . 651 . 1 1 13 PHE HD1 H 16.618 -8.575 1.078 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HD1 . . . . . . . . . rr_1vm5 1 . 3 . 652 . 1 1 13 PHE HD2 H 16.321 -4.903 3.298 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HD2 . . . . . . . . . rr_1vm5 1 . 3 . 653 . 1 1 13 PHE HE1 H 14.309 -9.162 1.732 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HE1 . . . . . . . . . rr_1vm5 1 . 3 . 654 . 1 1 13 PHE HE2 H 14.015 -5.518 3.968 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HE2 . . . . . . . . . rr_1vm5 1 . 3 . 655 . 1 1 13 PHE HZ H 13.005 -7.633 3.179 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HZ . . . . . . . . . rr_1vm5 1 . 3 . 656 . 1 1 13 PHE N N 18.036 -4.684 -0.041 . . . 1.0 . . . . . . . . . . . . A . 13 PHE N . . . . . . . . . rr_1vm5 1 . 3 . 657 . 1 1 13 PHE O O 17.655 -7.907 -1.213 . . . 1.0 . . . . . . . . . . . . A . 13 PHE O . . . . . . . . . rr_1vm5 1 . 3 . 658 . 1 1 14 NH2 HN1 H 15.670 -5.874 -0.034 . . . 1.0 . . . . . . . . . . . . A . 14 NH2 HN1 . . . . . . . . . rr_1vm5 1 . 3 . 659 . 1 1 14 NH2 HN2 H 15.353 -7.175 -1.076 . . . 1.0 . . . . . . . . . . . . A . 14 NH2 HN2 . . . . . . . . . rr_1vm5 1 . 3 . 660 . 1 1 14 NH2 N N 15.987 -6.640 -0.556 . . . 1.0 . . . . . . . . . . . . A . 14 NH2 N . . . . . . . . . rr_1vm5 1 . 4 . 661 . 1 1 1 GLY C C 3.993 3.961 2.370 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_1vm5 1 . 4 . 662 . 1 1 1 GLY CA C 3.120 4.967 1.628 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_1vm5 1 . 4 . 663 . 1 1 1 GLY H1 H 1.867 4.880 -0.034 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_1vm5 1 . 4 . 664 . 1 1 1 GLY H2 H 1.361 3.912 1.267 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . rr_1vm5 1 . 4 . 665 . 1 1 1 GLY H3 H 2.672 3.425 0.302 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . rr_1vm5 1 . 4 . 666 . 1 1 1 GLY HA2 H 3.746 5.627 1.044 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_1vm5 1 . 4 . 667 . 1 1 1 GLY HA3 H 2.554 5.545 2.343 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_1vm5 1 . 4 . 668 . 1 1 1 GLY N N 2.185 4.241 0.722 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_1vm5 1 . 4 . 669 . 1 1 1 GLY O O 5.138 4.253 2.713 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_1vm5 1 . 4 . 670 . 1 1 2 LEU C C 5.130 1.021 2.364 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_1vm5 1 . 4 . 671 . 1 1 2 LEU CA C 4.180 1.732 3.316 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_1vm5 1 . 4 . 672 . 1 1 2 LEU CB C 3.199 0.723 3.931 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_1vm5 1 . 4 . 673 . 1 1 2 LEU CD1 C 5.182 -0.510 4.844 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_1vm5 1 . 4 . 674 . 1 1 2 LEU CD2 C 3.959 1.126 6.299 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_1vm5 1 . 4 . 675 . 1 1 2 LEU CG C 3.810 0.078 5.184 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_1vm5 1 . 4 . 676 . 1 1 2 LEU H H 2.526 2.601 2.316 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_1vm5 1 . 4 . 677 . 1 1 2 LEU HA H 4.762 2.184 4.102 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_1vm5 1 . 4 . 678 . 1 1 2 LEU HB2 H 2.285 1.232 4.199 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_1vm5 1 . 4 . 679 . 1 1 2 LEU HB3 H 2.977 -0.048 3.207 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_1vm5 1 . 4 . 680 . 1 1 2 LEU HD11 H 5.903 0.287 4.748 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_1vm5 1 . 4 . 681 . 1 1 2 LEU HD12 H 5.119 -1.054 3.913 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_1vm5 1 . 4 . 682 . 1 1 2 LEU HD13 H 5.490 -1.181 5.632 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_1vm5 1 . 4 . 683 . 1 1 2 LEU HD21 H 3.229 1.910 6.163 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_1vm5 1 . 4 . 684 . 1 1 2 LEU HD22 H 4.952 1.550 6.271 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_1vm5 1 . 4 . 685 . 1 1 2 LEU HD23 H 3.801 0.652 7.257 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_1vm5 1 . 4 . 686 . 1 1 2 LEU HG H 3.160 -0.716 5.524 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_1vm5 1 . 4 . 687 . 1 1 2 LEU N N 3.443 2.776 2.614 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_1vm5 1 . 4 . 688 . 1 1 2 LEU O O 6.346 1.053 2.551 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_1vm5 1 . 4 . 689 . 1 1 3 PHE C C 6.504 0.608 -0.132 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . rr_1vm5 1 . 4 . 690 . 1 1 3 PHE CA C 5.413 -0.323 0.380 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . rr_1vm5 1 . 4 . 691 . 1 1 3 PHE CB C 4.581 -0.853 -0.793 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . rr_1vm5 1 . 4 . 692 . 1 1 3 PHE CD1 C 4.897 -3.357 -0.803 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . rr_1vm5 1 . 4 . 693 . 1 1 3 PHE CD2 C 6.176 -2.018 -2.370 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . rr_1vm5 1 . 4 . 694 . 1 1 3 PHE CE1 C 5.499 -4.517 -1.302 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . rr_1vm5 1 . 4 . 695 . 1 1 3 PHE CE2 C 6.778 -3.180 -2.868 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . rr_1vm5 1 . 4 . 696 . 1 1 3 PHE CG C 5.233 -2.106 -1.337 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . rr_1vm5 1 . 4 . 697 . 1 1 3 PHE CZ C 6.440 -4.429 -2.335 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . rr_1vm5 1 . 4 . 698 . 1 1 3 PHE H H 3.605 0.387 1.234 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . rr_1vm5 1 . 4 . 699 . 1 1 3 PHE HA H 5.877 -1.158 0.882 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . rr_1vm5 1 . 4 . 700 . 1 1 3 PHE HB2 H 3.583 -1.085 -0.451 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . rr_1vm5 1 . 4 . 701 . 1 1 3 PHE HB3 H 4.532 -0.106 -1.571 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . rr_1vm5 1 . 4 . 702 . 1 1 3 PHE HD1 H 4.174 -3.426 -0.005 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . rr_1vm5 1 . 4 . 703 . 1 1 3 PHE HD2 H 6.441 -1.056 -2.781 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . rr_1vm5 1 . 4 . 704 . 1 1 3 PHE HE1 H 5.239 -5.481 -0.890 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . rr_1vm5 1 . 4 . 705 . 1 1 3 PHE HE2 H 7.504 -3.113 -3.665 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . rr_1vm5 1 . 4 . 706 . 1 1 3 PHE HZ H 6.904 -5.325 -2.720 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . rr_1vm5 1 . 4 . 707 . 1 1 3 PHE N N 4.577 0.381 1.341 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . rr_1vm5 1 . 4 . 708 . 1 1 3 PHE O O 7.529 0.161 -0.644 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . rr_1vm5 1 . 4 . 709 . 1 1 4 ASP C C 8.547 2.683 0.401 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . rr_1vm5 1 . 4 . 710 . 1 1 4 ASP CA C 7.271 2.888 -0.398 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . rr_1vm5 1 . 4 . 711 . 1 1 4 ASP CB C 6.741 4.307 -0.178 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . rr_1vm5 1 . 4 . 712 . 1 1 4 ASP CG C 5.407 4.482 -0.896 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . rr_1vm5 1 . 4 . 713 . 1 1 4 ASP H H 5.456 2.211 0.459 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . rr_1vm5 1 . 4 . 714 . 1 1 4 ASP HA H 7.482 2.745 -1.445 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . rr_1vm5 1 . 4 . 715 . 1 1 4 ASP HB2 H 6.604 4.478 0.880 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . rr_1vm5 1 . 4 . 716 . 1 1 4 ASP HB3 H 7.452 5.020 -0.568 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . rr_1vm5 1 . 4 . 717 . 1 1 4 ASP N N 6.284 1.909 0.031 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . rr_1vm5 1 . 4 . 718 . 1 1 4 ASP O O 9.638 2.587 -0.157 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . rr_1vm5 1 . 4 . 719 . 1 1 4 ASP OD1 O 4.608 3.560 -0.854 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . rr_1vm5 1 . 4 . 720 . 1 1 4 ASP OD2 O 5.203 5.535 -1.476 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . rr_1vm5 1 . 4 . 721 . 1 1 5 ILE C C 10.250 1.096 2.166 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . rr_1vm5 1 . 4 . 722 . 1 1 5 ILE CA C 9.509 2.365 2.591 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . rr_1vm5 1 . 4 . 723 . 1 1 5 ILE CB C 8.962 2.242 4.005 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . rr_1vm5 1 . 4 . 724 . 1 1 5 ILE CD1 C 7.730 3.498 5.767 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . rr_1vm5 1 . 4 . 725 . 1 1 5 ILE CG1 C 8.535 3.630 4.480 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . rr_1vm5 1 . 4 . 726 . 1 1 5 ILE CG2 C 10.032 1.686 4.929 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . rr_1vm5 1 . 4 . 727 . 1 1 5 ILE H H 7.502 2.653 2.105 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . rr_1vm5 1 . 4 . 728 . 1 1 5 ILE HA H 10.180 3.210 2.545 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . rr_1vm5 1 . 4 . 729 . 1 1 5 ILE HB H 8.101 1.584 4.005 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . rr_1vm5 1 . 4 . 730 . 1 1 5 ILE HD11 H 7.318 4.460 6.031 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . rr_1vm5 1 . 4 . 731 . 1 1 5 ILE HD12 H 8.376 3.151 6.558 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . rr_1vm5 1 . 4 . 732 . 1 1 5 ILE HD13 H 6.929 2.790 5.617 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . rr_1vm5 1 . 4 . 733 . 1 1 5 ILE HG12 H 9.410 4.233 4.659 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . rr_1vm5 1 . 4 . 734 . 1 1 5 ILE HG13 H 7.924 4.098 3.723 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . rr_1vm5 1 . 4 . 735 . 1 1 5 ILE HG21 H 10.986 2.121 4.673 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . rr_1vm5 1 . 4 . 736 . 1 1 5 ILE HG22 H 10.077 0.616 4.811 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . rr_1vm5 1 . 4 . 737 . 1 1 5 ILE HG23 H 9.784 1.928 5.950 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . rr_1vm5 1 . 4 . 738 . 1 1 5 ILE N N 8.393 2.589 1.714 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . rr_1vm5 1 . 4 . 739 . 1 1 5 ILE O O 11.478 1.065 2.118 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . rr_1vm5 1 . 4 . 740 . 1 1 6 ILE C C 10.846 -0.973 0.103 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . rr_1vm5 1 . 4 . 741 . 1 1 6 ILE CA C 10.039 -1.194 1.375 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . rr_1vm5 1 . 4 . 742 . 1 1 6 ILE CB C 8.877 -2.137 1.106 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . rr_1vm5 1 . 4 . 743 . 1 1 6 ILE CD1 C 7.034 -3.314 2.297 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . rr_1vm5 1 . 4 . 744 . 1 1 6 ILE CG1 C 8.470 -2.815 2.413 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . rr_1vm5 1 . 4 . 745 . 1 1 6 ILE CG2 C 9.269 -3.183 0.072 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . rr_1vm5 1 . 4 . 746 . 1 1 6 ILE H H 8.513 0.150 1.866 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . rr_1vm5 1 . 4 . 747 . 1 1 6 ILE HA H 10.673 -1.616 2.139 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . rr_1vm5 1 . 4 . 748 . 1 1 6 ILE HB H 8.045 -1.566 0.729 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . rr_1vm5 1 . 4 . 749 . 1 1 6 ILE HD11 H 6.812 -3.537 1.264 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . rr_1vm5 1 . 4 . 750 . 1 1 6 ILE HD12 H 6.362 -2.549 2.654 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . rr_1vm5 1 . 4 . 751 . 1 1 6 ILE HD13 H 6.917 -4.205 2.892 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . rr_1vm5 1 . 4 . 752 . 1 1 6 ILE HG12 H 9.129 -3.642 2.609 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . rr_1vm5 1 . 4 . 753 . 1 1 6 ILE HG13 H 8.535 -2.104 3.224 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . rr_1vm5 1 . 4 . 754 . 1 1 6 ILE HG21 H 9.237 -2.738 -0.912 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . rr_1vm5 1 . 4 . 755 . 1 1 6 ILE HG22 H 8.574 -4.007 0.117 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . rr_1vm5 1 . 4 . 756 . 1 1 6 ILE HG23 H 10.266 -3.534 0.279 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . rr_1vm5 1 . 4 . 757 . 1 1 6 ILE N N 9.483 0.063 1.829 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . rr_1vm5 1 . 4 . 758 . 1 1 6 ILE O O 11.834 -1.660 -0.156 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . rr_1vm5 1 . 4 . 759 . 1 1 7 LYS C C 12.355 1.145 -1.548 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . rr_1vm5 1 . 4 . 760 . 1 1 7 LYS CA C 11.114 0.353 -1.907 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . rr_1vm5 1 . 4 . 761 . 1 1 7 LYS CB C 10.211 1.181 -2.827 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . rr_1vm5 1 . 4 . 762 . 1 1 7 LYS CD C 9.765 -0.687 -4.452 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . rr_1vm5 1 . 4 . 763 . 1 1 7 LYS CE C 8.768 -0.985 -5.576 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . rr_1vm5 1 . 4 . 764 . 1 1 7 LYS CG C 9.132 0.283 -3.443 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . rr_1vm5 1 . 4 . 765 . 1 1 7 LYS H H 9.644 0.530 -0.395 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . rr_1vm5 1 . 4 . 766 . 1 1 7 LYS HA H 11.408 -0.555 -2.415 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . rr_1vm5 1 . 4 . 767 . 1 1 7 LYS HB2 H 9.740 1.966 -2.257 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . rr_1vm5 1 . 4 . 768 . 1 1 7 LYS HB3 H 10.805 1.619 -3.614 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . rr_1vm5 1 . 4 . 769 . 1 1 7 LYS HD2 H 10.657 -0.246 -4.872 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . rr_1vm5 1 . 4 . 770 . 1 1 7 LYS HD3 H 10.022 -1.609 -3.951 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . rr_1vm5 1 . 4 . 771 . 1 1 7 LYS HE2 H 9.186 -1.726 -6.241 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . rr_1vm5 1 . 4 . 772 . 1 1 7 LYS HE3 H 7.848 -1.359 -5.152 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . rr_1vm5 1 . 4 . 773 . 1 1 7 LYS HG2 H 8.646 -0.280 -2.659 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . rr_1vm5 1 . 4 . 774 . 1 1 7 LYS HG3 H 8.402 0.899 -3.947 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . rr_1vm5 1 . 4 . 775 . 1 1 7 LYS HZ1 H 8.615 0.089 -7.353 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . rr_1vm5 1 . 4 . 776 . 1 1 7 LYS HZ2 H 9.151 1.011 -6.031 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . rr_1vm5 1 . 4 . 777 . 1 1 7 LYS HZ3 H 7.514 0.573 -6.157 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . rr_1vm5 1 . 4 . 778 . 1 1 7 LYS N N 10.422 0.012 -0.673 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . rr_1vm5 1 . 4 . 779 . 1 1 7 LYS NZ N 8.491 0.266 -6.337 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . rr_1vm5 1 . 4 . 780 . 1 1 7 LYS O O 13.369 1.098 -2.243 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . rr_1vm5 1 . 4 . 781 . 1 1 8 LYS C C 14.400 1.677 0.670 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . rr_1vm5 1 . 4 . 782 . 1 1 8 LYS CA C 13.391 2.624 0.063 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . rr_1vm5 1 . 4 . 783 . 1 1 8 LYS CB C 12.926 3.638 1.102 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . rr_1vm5 1 . 4 . 784 . 1 1 8 LYS CD C 12.089 5.980 1.088 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . rr_1vm5 1 . 4 . 785 . 1 1 8 LYS CE C 11.010 6.923 0.554 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . rr_1vm5 1 . 4 . 786 . 1 1 8 LYS CG C 11.925 4.604 0.460 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . rr_1vm5 1 . 4 . 787 . 1 1 8 LYS H H 11.438 1.824 0.097 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . rr_1vm5 1 . 4 . 788 . 1 1 8 LYS HA H 13.847 3.142 -0.760 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . rr_1vm5 1 . 4 . 789 . 1 1 8 LYS HB2 H 12.455 3.120 1.925 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . rr_1vm5 1 . 4 . 790 . 1 1 8 LYS HB3 H 13.779 4.192 1.466 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . rr_1vm5 1 . 4 . 791 . 1 1 8 LYS HD2 H 11.998 5.890 2.160 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . rr_1vm5 1 . 4 . 792 . 1 1 8 LYS HD3 H 13.064 6.367 0.838 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . rr_1vm5 1 . 4 . 793 . 1 1 8 LYS HE2 H 11.067 7.867 1.076 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . rr_1vm5 1 . 4 . 794 . 1 1 8 LYS HE3 H 11.164 7.085 -0.502 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . rr_1vm5 1 . 4 . 795 . 1 1 8 LYS HG2 H 12.109 4.669 -0.604 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . rr_1vm5 1 . 4 . 796 . 1 1 8 LYS HG3 H 10.921 4.253 0.631 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . rr_1vm5 1 . 4 . 797 . 1 1 8 LYS HZ1 H 9.027 7.025 1.181 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . rr_1vm5 1 . 4 . 798 . 1 1 8 LYS HZ2 H 9.754 5.509 1.425 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . rr_1vm5 1 . 4 . 799 . 1 1 8 LYS HZ3 H 9.283 5.987 -0.136 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . rr_1vm5 1 . 4 . 800 . 1 1 8 LYS N N 12.267 1.850 -0.425 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . rr_1vm5 1 . 4 . 801 . 1 1 8 LYS NZ N 9.667 6.315 0.773 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . rr_1vm5 1 . 4 . 802 . 1 1 8 LYS O O 15.610 1.870 0.553 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . rr_1vm5 1 . 4 . 803 . 1 1 9 ILE C C 15.542 -1.015 0.759 . . . 1.0 . . . . . . . . . . . . A . 9 ILE C . . . . . . . . . rr_1vm5 1 . 4 . 804 . 1 1 9 ILE CA C 14.720 -0.389 1.862 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CA . . . . . . . . . rr_1vm5 1 . 4 . 805 . 1 1 9 ILE CB C 13.807 -1.418 2.485 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CB . . . . . . . . . rr_1vm5 1 . 4 . 806 . 1 1 9 ILE CD1 C 12.173 -1.774 4.323 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CD1 . . . . . . . . . rr_1vm5 1 . 4 . 807 . 1 1 9 ILE CG1 C 13.280 -0.868 3.802 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG1 . . . . . . . . . rr_1vm5 1 . 4 . 808 . 1 1 9 ILE CG2 C 14.570 -2.703 2.717 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG2 . . . . . . . . . rr_1vm5 1 . 4 . 809 . 1 1 9 ILE H H 12.909 0.494 1.317 . . . 1.0 . . . . . . . . . . . . A . 9 ILE H . . . . . . . . . rr_1vm5 1 . 4 . 810 . 1 1 9 ILE HA H 15.365 0.032 2.614 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HA . . . . . . . . . rr_1vm5 1 . 4 . 811 . 1 1 9 ILE HB H 12.979 -1.609 1.820 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HB . . . . . . . . . rr_1vm5 1 . 4 . 812 . 1 1 9 ILE HD11 H 12.091 -2.646 3.690 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD11 . . . . . . . . . rr_1vm5 1 . 4 . 813 . 1 1 9 ILE HD12 H 11.241 -1.235 4.314 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD12 . . . . . . . . . rr_1vm5 1 . 4 . 814 . 1 1 9 ILE HD13 H 12.408 -2.078 5.328 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD13 . . . . . . . . . rr_1vm5 1 . 4 . 815 . 1 1 9 ILE HG12 H 14.083 -0.824 4.515 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG12 . . . . . . . . . rr_1vm5 1 . 4 . 816 . 1 1 9 ILE HG13 H 12.886 0.124 3.646 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG13 . . . . . . . . . rr_1vm5 1 . 4 . 817 . 1 1 9 ILE HG21 H 14.713 -3.204 1.771 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG21 . . . . . . . . . rr_1vm5 1 . 4 . 818 . 1 1 9 ILE HG22 H 14.007 -3.337 3.381 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG22 . . . . . . . . . rr_1vm5 1 . 4 . 819 . 1 1 9 ILE HG23 H 15.526 -2.470 3.153 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG23 . . . . . . . . . rr_1vm5 1 . 4 . 820 . 1 1 9 ILE N N 13.885 0.620 1.283 . . . 1.0 . . . . . . . . . . . . A . 9 ILE N . . . . . . . . . rr_1vm5 1 . 4 . 821 . 1 1 9 ILE O O 16.650 -1.506 0.973 . . . 1.0 . . . . . . . . . . . . A . 9 ILE O . . . . . . . . . rr_1vm5 1 . 4 . 822 . 1 1 10 ALA C C 16.700 -0.563 -2.084 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_1vm5 1 . 4 . 823 . 1 1 10 ALA CA C 15.617 -1.517 -1.606 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_1vm5 1 . 4 . 824 . 1 1 10 ALA CB C 14.587 -1.738 -2.708 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_1vm5 1 . 4 . 825 . 1 1 10 ALA H H 14.082 -0.553 -0.508 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_1vm5 1 . 4 . 826 . 1 1 10 ALA HA H 16.067 -2.461 -1.353 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_1vm5 1 . 4 . 827 . 1 1 10 ALA HB1 H 14.373 -0.798 -3.193 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_1vm5 1 . 4 . 828 . 1 1 10 ALA HB2 H 13.681 -2.136 -2.275 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_1vm5 1 . 4 . 829 . 1 1 10 ALA HB3 H 14.980 -2.437 -3.430 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_1vm5 1 . 4 . 830 . 1 1 10 ALA N N 14.968 -0.972 -0.427 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_1vm5 1 . 4 . 831 . 1 1 10 ALA O O 17.756 -0.988 -2.551 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_1vm5 1 . 4 . 832 . 1 1 11 GLU C C 18.508 1.817 -1.297 . . . 1.0 . . . . . . . . . . . . A . 11 GLU C . . . . . . . . . rr_1vm5 1 . 4 . 833 . 1 1 11 GLU CA C 17.404 1.740 -2.343 . . . 1.0 . . . . . . . . . . . . A . 11 GLU CA . . . . . . . . . rr_1vm5 1 . 4 . 834 . 1 1 11 GLU CB C 16.721 3.103 -2.476 . . . 1.0 . . . . . . . . . . . . A . 11 GLU CB . . . . . . . . . rr_1vm5 1 . 4 . 835 . 1 1 11 GLU CD C 15.287 4.516 -3.962 . . . 1.0 . . . . . . . . . . . . A . 11 GLU CD . . . . . . . . . rr_1vm5 1 . 4 . 836 . 1 1 11 GLU CG C 15.837 3.113 -3.725 . . . 1.0 . . . . . . . . . . . . A . 11 GLU CG . . . . . . . . . rr_1vm5 1 . 4 . 837 . 1 1 11 GLU H H 15.583 1.008 -1.551 . . . 1.0 . . . . . . . . . . . . A . 11 GLU H . . . . . . . . . rr_1vm5 1 . 4 . 838 . 1 1 11 GLU HA H 17.834 1.464 -3.294 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HA . . . . . . . . . rr_1vm5 1 . 4 . 839 . 1 1 11 GLU HB2 H 16.113 3.288 -1.602 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HB2 . . . . . . . . . rr_1vm5 1 . 4 . 840 . 1 1 11 GLU HB3 H 17.471 3.875 -2.563 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HB3 . . . . . . . . . rr_1vm5 1 . 4 . 841 . 1 1 11 GLU HG2 H 16.421 2.808 -4.580 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HG2 . . . . . . . . . rr_1vm5 1 . 4 . 842 . 1 1 11 GLU HG3 H 15.015 2.426 -3.588 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HG3 . . . . . . . . . rr_1vm5 1 . 4 . 843 . 1 1 11 GLU N N 16.436 0.730 -1.944 . . . 1.0 . . . . . . . . . . . . A . 11 GLU N . . . . . . . . . rr_1vm5 1 . 4 . 844 . 1 1 11 GLU O O 19.581 2.367 -1.543 . . . 1.0 . . . . . . . . . . . . A . 11 GLU O . . . . . . . . . rr_1vm5 1 . 4 . 845 . 1 1 11 GLU OE1 O 15.904 5.459 -3.496 . . . 1.0 . . . . . . . . . . . . A . 11 GLU OE1 . . . . . . . . . rr_1vm5 1 . 4 . 846 . 1 1 11 GLU OE2 O 14.256 4.625 -4.605 . . . 1.0 . . . . . . . . . . . . A . 11 GLU OE2 . . . . . . . . . rr_1vm5 1 . 4 . 847 . 1 1 12 SER C C 20.274 0.193 0.695 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . rr_1vm5 1 . 4 . 848 . 1 1 12 SER CA C 19.196 1.236 0.961 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . rr_1vm5 1 . 4 . 849 . 1 1 12 SER CB C 18.493 0.923 2.282 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . rr_1vm5 1 . 4 . 850 . 1 1 12 SER H H 17.357 0.820 0.002 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . rr_1vm5 1 . 4 . 851 . 1 1 12 SER HA H 19.657 2.209 1.031 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . rr_1vm5 1 . 4 . 852 . 1 1 12 SER HB2 H 17.658 1.590 2.415 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . rr_1vm5 1 . 4 . 853 . 1 1 12 SER HB3 H 18.136 -0.098 2.265 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . rr_1vm5 1 . 4 . 854 . 1 1 12 SER HG H 19.890 0.279 3.474 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . rr_1vm5 1 . 4 . 855 . 1 1 12 SER N N 18.229 1.247 -0.128 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . rr_1vm5 1 . 4 . 856 . 1 1 12 SER O O 21.432 0.375 1.071 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . rr_1vm5 1 . 4 . 857 . 1 1 12 SER OG O 19.409 1.101 3.355 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . rr_1vm5 1 . 4 . 858 . 1 1 13 PHE C C 20.741 -2.333 -1.765 . . . 1.0 . . . . . . . . . . . . A . 13 PHE C . . . . . . . . . rr_1vm5 1 . 4 . 859 . 1 1 13 PHE CA C 20.837 -1.957 -0.293 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CA . . . . . . . . . rr_1vm5 1 . 4 . 860 . 1 1 13 PHE CB C 20.600 -3.196 0.586 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CB . . . . . . . . . rr_1vm5 1 . 4 . 861 . 1 1 13 PHE CD1 C 18.563 -4.054 -0.682 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CD1 . . . . . . . . . rr_1vm5 1 . 4 . 862 . 1 1 13 PHE CD2 C 18.414 -3.768 1.723 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CD2 . . . . . . . . . rr_1vm5 1 . 4 . 863 . 1 1 13 PHE CE1 C 17.245 -4.525 -0.704 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CE1 . . . . . . . . . rr_1vm5 1 . 4 . 864 . 1 1 13 PHE CE2 C 17.100 -4.247 1.696 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CE2 . . . . . . . . . rr_1vm5 1 . 4 . 865 . 1 1 13 PHE CG C 19.154 -3.668 0.534 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CG . . . . . . . . . rr_1vm5 1 . 4 . 866 . 1 1 13 PHE CZ C 16.515 -4.623 0.484 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CZ . . . . . . . . . rr_1vm5 1 . 4 . 867 . 1 1 13 PHE H H 18.954 -0.983 -0.253 . . . 1.0 . . . . . . . . . . . . A . 13 PHE H . . . . . . . . . rr_1vm5 1 . 4 . 868 . 1 1 13 PHE HA H 21.837 -1.593 -0.103 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HA . . . . . . . . . rr_1vm5 1 . 4 . 869 . 1 1 13 PHE HB2 H 21.241 -3.995 0.245 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HB2 . . . . . . . . . rr_1vm5 1 . 4 . 870 . 1 1 13 PHE HB3 H 20.858 -2.954 1.608 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HB3 . . . . . . . . . rr_1vm5 1 . 4 . 871 . 1 1 13 PHE HD1 H 19.112 -3.981 -1.603 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HD1 . . . . . . . . . rr_1vm5 1 . 4 . 872 . 1 1 13 PHE HD2 H 18.853 -3.468 2.661 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HD2 . . . . . . . . . rr_1vm5 1 . 4 . 873 . 1 1 13 PHE HE1 H 16.792 -4.816 -1.640 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HE1 . . . . . . . . . rr_1vm5 1 . 4 . 874 . 1 1 13 PHE HE2 H 16.540 -4.330 2.613 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HE2 . . . . . . . . . rr_1vm5 1 . 4 . 875 . 1 1 13 PHE HZ H 15.500 -4.992 0.466 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HZ . . . . . . . . . rr_1vm5 1 . 4 . 876 . 1 1 13 PHE N N 19.888 -0.897 0.031 . . . 1.0 . . . . . . . . . . . . A . 13 PHE N . . . . . . . . . rr_1vm5 1 . 4 . 877 . 1 1 13 PHE O O 21.293 -3.348 -2.189 . . . 1.0 . . . . . . . . . . . . A . 13 PHE O . . . . . . . . . rr_1vm5 1 . 4 . 878 . 1 1 14 NH2 HN1 H 19.626 -0.761 -2.238 . . . 1.0 . . . . . . . . . . . . A . 14 NH2 HN1 . . . . . . . . . rr_1vm5 1 . 4 . 879 . 1 1 14 NH2 HN2 H 19.995 -1.802 -3.525 . . . 1.0 . . . . . . . . . . . . A . 14 NH2 HN2 . . . . . . . . . rr_1vm5 1 . 4 . 880 . 1 1 14 NH2 N N 20.065 -1.569 -2.577 . . . 1.0 . . . . . . . . . . . . A . 14 NH2 N . . . . . . . . . rr_1vm5 1 . 5 . 881 . 1 1 1 GLY C C 3.869 4.916 0.620 . . . 1.0 . . . . . . . . . . . . A . 1 GLY C . . . . . . . . . rr_1vm5 1 . 5 . 882 . 1 1 1 GLY CA C 2.904 5.413 -0.450 . . . 1.0 . . . . . . . . . . . . A . 1 GLY CA . . . . . . . . . rr_1vm5 1 . 5 . 883 . 1 1 1 GLY H1 H 3.231 6.017 -2.416 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H1 . . . . . . . . . rr_1vm5 1 . 5 . 884 . 1 1 1 GLY H2 H 4.649 5.866 -1.493 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H2 . . . . . . . . . rr_1vm5 1 . 5 . 885 . 1 1 1 GLY H3 H 3.617 7.195 -1.259 . . . 1.0 . . . . . . . . . . . . A . 1 GLY H3 . . . . . . . . . rr_1vm5 1 . 5 . 886 . 1 1 1 GLY HA2 H 2.161 6.053 0.002 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA2 . . . . . . . . . rr_1vm5 1 . 5 . 887 . 1 1 1 GLY HA3 H 2.418 4.568 -0.913 . . . 1.0 . . . . . . . . . . . . A . 1 GLY HA3 . . . . . . . . . rr_1vm5 1 . 5 . 888 . 1 1 1 GLY N N 3.657 6.181 -1.482 . . . 1.0 . . . . . . . . . . . . A . 1 GLY N . . . . . . . . . rr_1vm5 1 . 5 . 889 . 1 1 1 GLY O O 4.977 5.434 0.760 . . . 1.0 . . . . . . . . . . . . A . 1 GLY O . . . . . . . . . rr_1vm5 1 . 5 . 890 . 1 1 2 LEU C C 5.135 2.213 1.897 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_1vm5 1 . 5 . 891 . 1 1 2 LEU CA C 4.274 3.346 2.433 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_1vm5 1 . 5 . 892 . 1 1 2 LEU CB C 3.395 2.826 3.570 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_1vm5 1 . 5 . 893 . 1 1 2 LEU CD1 C 4.993 3.704 5.300 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_1vm5 1 . 5 . 894 . 1 1 2 LEU CD2 C 3.393 1.860 5.869 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_1vm5 1 . 5 . 895 . 1 1 2 LEU CG C 4.274 2.455 4.768 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_1vm5 1 . 5 . 896 . 1 1 2 LEU H H 2.548 3.535 1.217 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_1vm5 1 . 5 . 897 . 1 1 2 LEU HA H 4.922 4.117 2.820 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_1vm5 1 . 5 . 898 . 1 1 2 LEU HB2 H 2.692 3.593 3.861 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_1vm5 1 . 5 . 899 . 1 1 2 LEU HB3 H 2.857 1.951 3.237 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_1vm5 1 . 5 . 900 . 1 1 2 LEU HD11 H 5.960 3.790 4.826 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_1vm5 1 . 5 . 901 . 1 1 2 LEU HD12 H 5.125 3.620 6.368 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_1vm5 1 . 5 . 902 . 1 1 2 LEU HD13 H 4.406 4.584 5.079 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_1vm5 1 . 5 . 903 . 1 1 2 LEU HD21 H 2.531 2.493 6.019 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_1vm5 1 . 5 . 904 . 1 1 2 LEU HD22 H 3.958 1.797 6.786 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_1vm5 1 . 5 . 905 . 1 1 2 LEU HD23 H 3.069 0.873 5.575 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_1vm5 1 . 5 . 906 . 1 1 2 LEU HG H 5.008 1.724 4.460 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_1vm5 1 . 5 . 907 . 1 1 2 LEU N N 3.440 3.908 1.375 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_1vm5 1 . 5 . 908 . 1 1 2 LEU O O 6.290 2.061 2.296 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_1vm5 1 . 5 . 909 . 1 1 3 PHE C C 6.537 0.841 -0.342 . . . 1.0 . . . . . . . . . . . . A . 3 PHE C . . . . . . . . . rr_1vm5 1 . 5 . 910 . 1 1 3 PHE CA C 5.331 0.311 0.424 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CA . . . . . . . . . rr_1vm5 1 . 5 . 911 . 1 1 3 PHE CB C 4.455 -0.538 -0.501 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CB . . . . . . . . . rr_1vm5 1 . 5 . 912 . 1 1 3 PHE CD1 C 4.839 -2.769 0.616 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD1 . . . . . . . . . rr_1vm5 1 . 5 . 913 . 1 1 3 PHE CD2 C 5.611 -2.462 -1.663 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CD2 . . . . . . . . . rr_1vm5 1 . 5 . 914 . 1 1 3 PHE CE1 C 5.324 -4.082 0.603 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE1 . . . . . . . . . rr_1vm5 1 . 5 . 915 . 1 1 3 PHE CE2 C 6.095 -3.776 -1.674 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CE2 . . . . . . . . . rr_1vm5 1 . 5 . 916 . 1 1 3 PHE CG C 4.981 -1.958 -0.517 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CG . . . . . . . . . rr_1vm5 1 . 5 . 917 . 1 1 3 PHE CZ C 5.951 -4.586 -0.542 . . . 1.0 . . . . . . . . . . . . A . 3 PHE CZ . . . . . . . . . rr_1vm5 1 . 5 . 918 . 1 1 3 PHE H H 3.655 1.581 0.703 . . . 1.0 . . . . . . . . . . . . A . 3 PHE H . . . . . . . . . rr_1vm5 1 . 5 . 919 . 1 1 3 PHE HA H 5.681 -0.308 1.234 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HA . . . . . . . . . rr_1vm5 1 . 5 . 920 . 1 1 3 PHE HB2 H 3.438 -0.534 -0.135 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB2 . . . . . . . . . rr_1vm5 1 . 5 . 921 . 1 1 3 PHE HB3 H 4.480 -0.131 -1.501 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HB3 . . . . . . . . . rr_1vm5 1 . 5 . 922 . 1 1 3 PHE HD1 H 4.358 -2.382 1.502 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD1 . . . . . . . . . rr_1vm5 1 . 5 . 923 . 1 1 3 PHE HD2 H 5.726 -1.838 -2.535 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HD2 . . . . . . . . . rr_1vm5 1 . 5 . 924 . 1 1 3 PHE HE1 H 5.213 -4.707 1.477 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE1 . . . . . . . . . rr_1vm5 1 . 5 . 925 . 1 1 3 PHE HE2 H 6.580 -4.165 -2.557 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HE2 . . . . . . . . . rr_1vm5 1 . 5 . 926 . 1 1 3 PHE HZ H 6.325 -5.599 -0.551 . . . 1.0 . . . . . . . . . . . . A . 3 PHE HZ . . . . . . . . . rr_1vm5 1 . 5 . 927 . 1 1 3 PHE N N 4.577 1.419 0.991 . . . 1.0 . . . . . . . . . . . . A . 3 PHE N . . . . . . . . . rr_1vm5 1 . 5 . 928 . 1 1 3 PHE O O 7.541 0.148 -0.498 . . . 1.0 . . . . . . . . . . . . A . 3 PHE O . . . . . . . . . rr_1vm5 1 . 5 . 929 . 1 1 4 ASP C C 8.780 2.690 -0.650 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . rr_1vm5 1 . 5 . 930 . 1 1 4 ASP CA C 7.541 2.695 -1.530 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . rr_1vm5 1 . 5 . 931 . 1 1 4 ASP CB C 7.187 4.131 -1.922 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . rr_1vm5 1 . 5 . 932 . 1 1 4 ASP CG C 5.959 4.137 -2.826 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . rr_1vm5 1 . 5 . 933 . 1 1 4 ASP H H 5.621 2.599 -0.641 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H . . . . . . . . . rr_1vm5 1 . 5 . 934 . 1 1 4 ASP HA H 7.740 2.122 -2.422 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . rr_1vm5 1 . 5 . 935 . 1 1 4 ASP HB2 H 6.978 4.704 -1.030 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . rr_1vm5 1 . 5 . 936 . 1 1 4 ASP HB3 H 8.019 4.575 -2.447 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . rr_1vm5 1 . 5 . 937 . 1 1 4 ASP N N 6.439 2.084 -0.804 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . rr_1vm5 1 . 5 . 938 . 1 1 4 ASP O O 9.840 2.209 -1.045 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . rr_1vm5 1 . 5 . 939 . 1 1 4 ASP OD1 O 5.672 3.105 -3.411 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . rr_1vm5 1 . 5 . 940 . 1 1 4 ASP OD2 O 5.323 5.174 -2.922 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . rr_1vm5 1 . 5 . 941 . 1 1 5 ILE C C 10.268 1.842 1.716 . . . 1.0 . . . . . . . . . . . . A . 5 ILE C . . . . . . . . . rr_1vm5 1 . 5 . 942 . 1 1 5 ILE CA C 9.704 3.249 1.510 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CA . . . . . . . . . rr_1vm5 1 . 5 . 943 . 1 1 5 ILE CB C 9.148 3.820 2.806 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CB . . . . . . . . . rr_1vm5 1 . 5 . 944 . 1 1 5 ILE CD1 C 8.102 5.855 3.786 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CD1 . . . . . . . . . rr_1vm5 1 . 5 . 945 . 1 1 5 ILE CG1 C 8.921 5.318 2.619 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG1 . . . . . . . . . rr_1vm5 1 . 5 . 946 . 1 1 5 ILE CG2 C 10.132 3.585 3.940 . . . 1.0 . . . . . . . . . . . . A . 5 ILE CG2 . . . . . . . . . rr_1vm5 1 . 5 . 947 . 1 1 5 ILE H H 7.757 3.562 0.829 . . . 1.0 . . . . . . . . . . . . A . 5 ILE H . . . . . . . . . rr_1vm5 1 . 5 . 948 . 1 1 5 ILE HA H 10.482 3.901 1.144 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HA . . . . . . . . . rr_1vm5 1 . 5 . 949 . 1 1 5 ILE HB H 8.205 3.340 3.037 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HB . . . . . . . . . rr_1vm5 1 . 5 . 950 . 1 1 5 ILE HD11 H 8.520 5.492 4.712 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD11 . . . . . . . . . rr_1vm5 1 . 5 . 951 . 1 1 5 ILE HD12 H 7.082 5.516 3.692 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD12 . . . . . . . . . rr_1vm5 1 . 5 . 952 . 1 1 5 ILE HD13 H 8.128 6.934 3.775 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HD13 . . . . . . . . . rr_1vm5 1 . 5 . 953 . 1 1 5 ILE HG12 H 9.872 5.824 2.579 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG12 . . . . . . . . . rr_1vm5 1 . 5 . 954 . 1 1 5 ILE HG13 H 8.384 5.489 1.697 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG13 . . . . . . . . . rr_1vm5 1 . 5 . 955 . 1 1 5 ILE HG21 H 9.921 4.270 4.744 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG21 . . . . . . . . . rr_1vm5 1 . 5 . 956 . 1 1 5 ILE HG22 H 11.137 3.745 3.579 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG22 . . . . . . . . . rr_1vm5 1 . 5 . 957 . 1 1 5 ILE HG23 H 10.029 2.572 4.291 . . . 1.0 . . . . . . . . . . . . A . 5 ILE HG23 . . . . . . . . . rr_1vm5 1 . 5 . 958 . 1 1 5 ILE N N 8.625 3.209 0.559 . . . 1.0 . . . . . . . . . . . . A . 5 ILE N . . . . . . . . . rr_1vm5 1 . 5 . 959 . 1 1 5 ILE O O 11.481 1.641 1.729 . . . 1.0 . . . . . . . . . . . . A . 5 ILE O . . . . . . . . . rr_1vm5 1 . 5 . 960 . 1 1 6 ILE C C 10.565 -0.981 0.818 . . . 1.0 . . . . . . . . . . . . A . 6 ILE C . . . . . . . . . rr_1vm5 1 . 5 . 961 . 1 1 6 ILE CA C 9.755 -0.515 2.019 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CA . . . . . . . . . rr_1vm5 1 . 5 . 962 . 1 1 6 ILE CB C 8.477 -1.331 2.138 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CB . . . . . . . . . rr_1vm5 1 . 5 . 963 . 1 1 6 ILE CD1 C 6.506 -1.622 3.629 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CD1 . . . . . . . . . rr_1vm5 1 . 5 . 964 . 1 1 6 ILE CG1 C 7.996 -1.305 3.588 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG1 . . . . . . . . . rr_1vm5 1 . 5 . 965 . 1 1 6 ILE CG2 C 8.720 -2.767 1.691 . . . 1.0 . . . . . . . . . . . . A . 6 ILE CG2 . . . . . . . . . rr_1vm5 1 . 5 . 966 . 1 1 6 ILE H H 8.420 1.084 1.811 . . . 1.0 . . . . . . . . . . . . A . 6 ILE H . . . . . . . . . rr_1vm5 1 . 5 . 967 . 1 1 6 ILE HA H 10.338 -0.630 2.919 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HA . . . . . . . . . rr_1vm5 1 . 5 . 968 . 1 1 6 ILE HB H 7.725 -0.892 1.507 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HB . . . . . . . . . rr_1vm5 1 . 5 . 969 . 1 1 6 ILE HD11 H 6.266 -2.326 2.845 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD11 . . . . . . . . . rr_1vm5 1 . 5 . 970 . 1 1 6 ILE HD12 H 5.945 -0.711 3.480 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD12 . . . . . . . . . rr_1vm5 1 . 5 . 971 . 1 1 6 ILE HD13 H 6.257 -2.048 4.587 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HD13 . . . . . . . . . rr_1vm5 1 . 5 . 972 . 1 1 6 ILE HG12 H 8.541 -2.035 4.160 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG12 . . . . . . . . . rr_1vm5 1 . 5 . 973 . 1 1 6 ILE HG13 H 8.163 -0.323 4.006 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG13 . . . . . . . . . rr_1vm5 1 . 5 . 974 . 1 1 6 ILE HG21 H 9.663 -3.109 2.083 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG21 . . . . . . . . . rr_1vm5 1 . 5 . 975 . 1 1 6 ILE HG22 H 8.740 -2.802 0.611 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG22 . . . . . . . . . rr_1vm5 1 . 5 . 976 . 1 1 6 ILE HG23 H 7.923 -3.394 2.058 . . . 1.0 . . . . . . . . . . . . A . 6 ILE HG23 . . . . . . . . . rr_1vm5 1 . 5 . 977 . 1 1 6 ILE N N 9.371 0.871 1.848 . . . 1.0 . . . . . . . . . . . . A . 6 ILE N . . . . . . . . . rr_1vm5 1 . 5 . 978 . 1 1 6 ILE O O 11.450 -1.828 0.933 . . . 1.0 . . . . . . . . . . . . A . 6 ILE O . . . . . . . . . rr_1vm5 1 . 5 . 979 . 1 1 7 LYS C C 12.294 -0.006 -1.549 . . . 1.0 . . . . . . . . . . . . A . 7 LYS C . . . . . . . . . rr_1vm5 1 . 5 . 980 . 1 1 7 LYS CA C 10.965 -0.732 -1.556 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CA . . . . . . . . . rr_1vm5 1 . 5 . 981 . 1 1 7 LYS CB C 10.138 -0.320 -2.779 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CB . . . . . . . . . rr_1vm5 1 . 5 . 982 . 1 1 7 LYS CD C 9.216 -2.498 -3.639 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CD . . . . . . . . . rr_1vm5 1 . 5 . 983 . 1 1 7 LYS CE C 8.878 -2.325 -5.122 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CE . . . . . . . . . rr_1vm5 1 . 5 . 984 . 1 1 7 LYS CG C 8.887 -1.205 -2.876 . . . 1.0 . . . . . . . . . . . . A . 7 LYS CG . . . . . . . . . rr_1vm5 1 . 5 . 985 . 1 1 7 LYS H H 9.557 0.277 -0.346 . . . 1.0 . . . . . . . . . . . . A . 7 LYS H . . . . . . . . . rr_1vm5 1 . 5 . 986 . 1 1 7 LYS HA H 11.144 -1.797 -1.587 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HA . . . . . . . . . rr_1vm5 1 . 5 . 987 . 1 1 7 LYS HB2 H 9.840 0.713 -2.680 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB2 . . . . . . . . . rr_1vm5 1 . 5 . 988 . 1 1 7 LYS HB3 H 10.732 -0.438 -3.671 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HB3 . . . . . . . . . rr_1vm5 1 . 5 . 989 . 1 1 7 LYS HD2 H 10.267 -2.725 -3.534 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD2 . . . . . . . . . rr_1vm5 1 . 5 . 990 . 1 1 7 LYS HD3 H 8.633 -3.312 -3.234 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HD3 . . . . . . . . . rr_1vm5 1 . 5 . 991 . 1 1 7 LYS HE2 H 9.089 -3.243 -5.648 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE2 . . . . . . . . . rr_1vm5 1 . 5 . 992 . 1 1 7 LYS HE3 H 7.830 -2.084 -5.226 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HE3 . . . . . . . . . rr_1vm5 1 . 5 . 993 . 1 1 7 LYS HG2 H 8.545 -1.453 -1.880 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG2 . . . . . . . . . rr_1vm5 1 . 5 . 994 . 1 1 7 LYS HG3 H 8.108 -0.668 -3.396 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HG3 . . . . . . . . . rr_1vm5 1 . 5 . 995 . 1 1 7 LYS HZ1 H 10.696 -1.520 -5.741 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ1 . . . . . . . . . rr_1vm5 1 . 5 . 996 . 1 1 7 LYS HZ2 H 9.617 -0.378 -5.092 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ2 . . . . . . . . . rr_1vm5 1 . 5 . 997 . 1 1 7 LYS HZ3 H 9.364 -1.000 -6.653 . . . 1.0 . . . . . . . . . . . . A . 7 LYS HZ3 . . . . . . . . . rr_1vm5 1 . 5 . 998 . 1 1 7 LYS N N 10.259 -0.400 -0.330 . . . 1.0 . . . . . . . . . . . . A . 7 LYS N . . . . . . . . . rr_1vm5 1 . 5 . 999 . 1 1 7 LYS NZ N 9.701 -1.222 -5.695 . . . 1.0 . . . . . . . . . . . . A . 7 LYS NZ . . . . . . . . . rr_1vm5 1 . 5 . 1000 . 1 1 7 LYS O O 13.275 -0.460 -2.137 . . . 1.0 . . . . . . . . . . . . A . 7 LYS O . . . . . . . . . rr_1vm5 1 . 5 . 1001 . 1 1 8 LYS C C 14.431 1.199 0.302 . . . 1.0 . . . . . . . . . . . . A . 8 LYS C . . . . . . . . . rr_1vm5 1 . 5 . 1002 . 1 1 8 LYS CA C 13.537 1.890 -0.702 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CA . . . . . . . . . rr_1vm5 1 . 5 . 1003 . 1 1 8 LYS CB C 13.220 3.307 -0.235 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CB . . . . . . . . . rr_1vm5 1 . 5 . 1004 . 1 1 8 LYS CD C 12.732 5.485 -1.332 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CD . . . . . . . . . rr_1vm5 1 . 5 . 1005 . 1 1 8 LYS CE C 11.853 6.212 -2.351 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CE . . . . . . . . . rr_1vm5 1 . 5 . 1006 . 1 1 8 LYS CG C 12.355 4.011 -1.286 . . . 1.0 . . . . . . . . . . . . A . 8 LYS CG . . . . . . . . . rr_1vm5 1 . 5 . 1007 . 1 1 8 LYS H H 11.510 1.405 -0.367 . . . 1.0 . . . . . . . . . . . . A . 8 LYS H . . . . . . . . . rr_1vm5 1 . 5 . 1008 . 1 1 8 LYS HA H 14.038 1.930 -1.650 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HA . . . . . . . . . rr_1vm5 1 . 5 . 1009 . 1 1 8 LYS HB2 H 12.689 3.267 0.705 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB2 . . . . . . . . . rr_1vm5 1 . 5 . 1010 . 1 1 8 LYS HB3 H 14.142 3.852 -0.103 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HB3 . . . . . . . . . rr_1vm5 1 . 5 . 1011 . 1 1 8 LYS HD2 H 12.588 5.915 -0.353 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD2 . . . . . . . . . rr_1vm5 1 . 5 . 1012 . 1 1 8 LYS HD3 H 13.767 5.575 -1.619 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HD3 . . . . . . . . . rr_1vm5 1 . 5 . 1013 . 1 1 8 LYS HE2 H 11.939 5.726 -3.312 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE2 . . . . . . . . . rr_1vm5 1 . 5 . 1014 . 1 1 8 LYS HE3 H 10.824 6.183 -2.024 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HE3 . . . . . . . . . rr_1vm5 1 . 5 . 1015 . 1 1 8 LYS HG2 H 12.521 3.567 -2.257 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG2 . . . . . . . . . rr_1vm5 1 . 5 . 1016 . 1 1 8 LYS HG3 H 11.314 3.919 -1.021 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HG3 . . . . . . . . . rr_1vm5 1 . 5 . 1017 . 1 1 8 LYS HZ1 H 12.310 7.907 -3.470 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ1 . . . . . . . . . rr_1vm5 1 . 5 . 1018 . 1 1 8 LYS HZ2 H 13.254 7.726 -2.069 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ2 . . . . . . . . . rr_1vm5 1 . 5 . 1019 . 1 1 8 LYS HZ3 H 11.640 8.244 -1.949 . . . 1.0 . . . . . . . . . . . . A . 8 LYS HZ3 . . . . . . . . . rr_1vm5 1 . 5 . 1020 . 1 1 8 LYS N N 12.320 1.114 -0.836 . . . 1.0 . . . . . . . . . . . . A . 8 LYS N . . . . . . . . . rr_1vm5 1 . 5 . 1021 . 1 1 8 LYS NZ N 12.297 7.629 -2.468 . . . 1.0 . . . . . . . . . . . . A . 8 LYS NZ . . . . . . . . . rr_1vm5 1 . 5 . 1022 . 1 1 8 LYS O O 15.653 1.174 0.159 . . . 1.0 . . . . . . . . . . . . A . 8 LYS O . . . . . . . . . rr_1vm5 1 . 5 . 1023 . 1 1 9 ILE C C 15.232 -1.282 1.621 . . . 1.0 . . . . . . . . . . . . A . 9 ILE C . . . . . . . . . rr_1vm5 1 . 5 . 1024 . 1 1 9 ILE CA C 14.508 -0.142 2.298 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CA . . . . . . . . . rr_1vm5 1 . 5 . 1025 . 1 1 9 ILE CB C 13.483 -0.675 3.271 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CB . . . . . . . . . rr_1vm5 1 . 5 . 1026 . 1 1 9 ILE CD1 C 11.842 0.010 5.007 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CD1 . . . . . . . . . rr_1vm5 1 . 5 . 1027 . 1 1 9 ILE CG1 C 13.044 0.458 4.186 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG1 . . . . . . . . . rr_1vm5 1 . 5 . 1028 . 1 1 9 ILE CG2 C 14.086 -1.802 4.079 . . . 1.0 . . . . . . . . . . . . A . 9 ILE CG2 . . . . . . . . . rr_1vm5 1 . 5 . 1029 . 1 1 9 ILE H H 12.815 0.617 1.345 . . . 1.0 . . . . . . . . . . . . A . 9 ILE H . . . . . . . . . rr_1vm5 1 . 5 . 1030 . 1 1 9 ILE HA H 15.210 0.490 2.815 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HA . . . . . . . . . rr_1vm5 1 . 5 . 1031 . 1 1 9 ILE HB H 12.631 -1.045 2.723 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HB . . . . . . . . . rr_1vm5 1 . 5 . 1032 . 1 1 9 ILE HD11 H 12.051 0.158 6.052 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD11 . . . . . . . . . rr_1vm5 1 . 5 . 1033 . 1 1 9 ILE HD12 H 11.645 -1.036 4.820 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD12 . . . . . . . . . rr_1vm5 1 . 5 . 1034 . 1 1 9 ILE HD13 H 10.982 0.593 4.723 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HD13 . . . . . . . . . rr_1vm5 1 . 5 . 1035 . 1 1 9 ILE HG12 H 13.855 0.722 4.840 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG12 . . . . . . . . . rr_1vm5 1 . 5 . 1036 . 1 1 9 ILE HG13 H 12.770 1.316 3.592 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG13 . . . . . . . . . rr_1vm5 1 . 5 . 1037 . 1 1 9 ILE HG21 H 13.454 -2.012 4.925 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG21 . . . . . . . . . rr_1vm5 1 . 5 . 1038 . 1 1 9 ILE HG22 H 15.066 -1.507 4.416 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG22 . . . . . . . . . rr_1vm5 1 . 5 . 1039 . 1 1 9 ILE HG23 H 14.162 -2.682 3.456 . . . 1.0 . . . . . . . . . . . . A . 9 ILE HG23 . . . . . . . . . rr_1vm5 1 . 5 . 1040 . 1 1 9 ILE N N 13.798 0.596 1.298 . . . 1.0 . . . . . . . . . . . . A . 9 ILE N . . . . . . . . . rr_1vm5 1 . 5 . 1041 . 1 1 9 ILE O O 16.275 -1.752 2.075 . . . 1.0 . . . . . . . . . . . . A . 9 ILE O . . . . . . . . . rr_1vm5 1 . 5 . 1042 . 1 1 10 ALA C C 16.392 -2.280 -1.082 . . . 1.0 . . . . . . . . . . . . A . 10 ALA C . . . . . . . . . rr_1vm5 1 . 5 . 1043 . 1 1 10 ALA CA C 15.209 -2.787 -0.273 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CA . . . . . . . . . rr_1vm5 1 . 5 . 1044 . 1 1 10 ALA CB C 14.143 -3.354 -1.203 . . . 1.0 . . . . . . . . . . . . A . 10 ALA CB . . . . . . . . . rr_1vm5 1 . 5 . 1045 . 1 1 10 ALA H H 13.820 -1.266 0.222 . . . 1.0 . . . . . . . . . . . . A . 10 ALA H . . . . . . . . . rr_1vm5 1 . 5 . 1046 . 1 1 10 ALA HA H 15.545 -3.566 0.389 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HA . . . . . . . . . rr_1vm5 1 . 5 . 1047 . 1 1 10 ALA HB1 H 14.460 -4.320 -1.564 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB1 . . . . . . . . . rr_1vm5 1 . 5 . 1048 . 1 1 10 ALA HB2 H 14.002 -2.684 -2.036 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB2 . . . . . . . . . rr_1vm5 1 . 5 . 1049 . 1 1 10 ALA HB3 H 13.215 -3.458 -0.660 . . . 1.0 . . . . . . . . . . . . A . 10 ALA HB3 . . . . . . . . . rr_1vm5 1 . 5 . 1050 . 1 1 10 ALA N N 14.649 -1.705 0.516 . . . 1.0 . . . . . . . . . . . . A . 10 ALA N . . . . . . . . . rr_1vm5 1 . 5 . 1051 . 1 1 10 ALA O O 17.398 -2.971 -1.232 . . . 1.0 . . . . . . . . . . . . A . 10 ALA O . . . . . . . . . rr_1vm5 1 . 5 . 1052 . 1 1 11 GLU C C 18.468 -0.039 -1.411 . . . 1.0 . . . . . . . . . . . . A . 11 GLU C . . . . . . . . . rr_1vm5 1 . 5 . 1053 . 1 1 11 GLU CA C 17.346 -0.452 -2.353 . . . 1.0 . . . . . . . . . . . . A . 11 GLU CA . . . . . . . . . rr_1vm5 1 . 5 . 1054 . 1 1 11 GLU CB C 16.830 0.772 -3.113 . . . 1.0 . . . . . . . . . . . . A . 11 GLU CB . . . . . . . . . rr_1vm5 1 . 5 . 1055 . 1 1 11 GLU CD C 16.903 -0.234 -5.403 . . . 1.0 . . . . . . . . . . . . A . 11 GLU CD . . . . . . . . . rr_1vm5 1 . 5 . 1056 . 1 1 11 GLU CG C 15.993 0.315 -4.310 . . . 1.0 . . . . . . . . . . . . A . 11 GLU CG . . . . . . . . . rr_1vm5 1 . 5 . 1057 . 1 1 11 GLU H H 15.451 -0.547 -1.415 . . . 1.0 . . . . . . . . . . . . A . 11 GLU H . . . . . . . . . rr_1vm5 1 . 5 . 1058 . 1 1 11 GLU HA H 17.725 -1.175 -3.061 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HA . . . . . . . . . rr_1vm5 1 . 5 . 1059 . 1 1 11 GLU HB2 H 16.220 1.373 -2.455 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HB2 . . . . . . . . . rr_1vm5 1 . 5 . 1060 . 1 1 11 GLU HB3 H 17.666 1.357 -3.465 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HB3 . . . . . . . . . rr_1vm5 1 . 5 . 1061 . 1 1 11 GLU HG2 H 15.306 -0.457 -3.993 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HG2 . . . . . . . . . rr_1vm5 1 . 5 . 1062 . 1 1 11 GLU HG3 H 15.435 1.154 -4.698 . . . 1.0 . . . . . . . . . . . . A . 11 GLU HG3 . . . . . . . . . rr_1vm5 1 . 5 . 1063 . 1 1 11 GLU N N 16.271 -1.056 -1.582 . . . 1.0 . . . . . . . . . . . . A . 11 GLU N . . . . . . . . . rr_1vm5 1 . 5 . 1064 . 1 1 11 GLU O O 19.594 0.219 -1.836 . . . 1.0 . . . . . . . . . . . . A . 11 GLU O . . . . . . . . . rr_1vm5 1 . 5 . 1065 . 1 1 11 GLU OE1 O 17.408 0.559 -6.180 . . . 1.0 . . . . . . . . . . . . A . 11 GLU OE1 . . . . . . . . . rr_1vm5 1 . 5 . 1066 . 1 1 11 GLU OE2 O 17.082 -1.440 -5.447 . . . 1.0 . . . . . . . . . . . . A . 11 GLU OE2 . . . . . . . . . rr_1vm5 1 . 5 . 1067 . 1 1 12 SER C C 20.064 -0.781 1.163 . . . 1.0 . . . . . . . . . . . . A . 12 SER C . . . . . . . . . rr_1vm5 1 . 5 . 1068 . 1 1 12 SER CA C 19.120 0.383 0.891 . . . 1.0 . . . . . . . . . . . . A . 12 SER CA . . . . . . . . . rr_1vm5 1 . 5 . 1069 . 1 1 12 SER CB C 18.409 0.780 2.184 . . . 1.0 . . . . . . . . . . . . A . 12 SER CB . . . . . . . . . rr_1vm5 1 . 5 . 1070 . 1 1 12 SER H H 17.229 -0.211 0.152 . . . 1.0 . . . . . . . . . . . . A . 12 SER H . . . . . . . . . rr_1vm5 1 . 5 . 1071 . 1 1 12 SER HA H 19.694 1.225 0.535 . . . 1.0 . . . . . . . . . . . . A . 12 SER HA . . . . . . . . . rr_1vm5 1 . 5 . 1072 . 1 1 12 SER HB2 H 17.619 1.478 1.964 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB2 . . . . . . . . . rr_1vm5 1 . 5 . 1073 . 1 1 12 SER HB3 H 17.986 -0.103 2.646 . . . 1.0 . . . . . . . . . . . . A . 12 SER HB3 . . . . . . . . . rr_1vm5 1 . 5 . 1074 . 1 1 12 SER HG H 20.220 1.084 2.826 . . . 1.0 . . . . . . . . . . . . A . 12 SER HG . . . . . . . . . rr_1vm5 1 . 5 . 1075 . 1 1 12 SER N N 18.144 0.012 -0.122 . . . 1.0 . . . . . . . . . . . . A . 12 SER N . . . . . . . . . rr_1vm5 1 . 5 . 1076 . 1 1 12 SER O O 21.243 -0.580 1.455 . . . 1.0 . . . . . . . . . . . . A . 12 SER O . . . . . . . . . rr_1vm5 1 . 5 . 1077 . 1 1 12 SER OG O 19.342 1.391 3.065 . . . 1.0 . . . . . . . . . . . . A . 12 SER OG . . . . . . . . . rr_1vm5 1 . 5 . 1078 . 1 1 13 PHE C C 20.188 -4.179 0.129 . . . 1.0 . . . . . . . . . . . . A . 13 PHE C . . . . . . . . . rr_1vm5 1 . 5 . 1079 . 1 1 13 PHE CA C 20.354 -3.193 1.277 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CA . . . . . . . . . rr_1vm5 1 . 5 . 1080 . 1 1 13 PHE CB C 19.992 -3.865 2.611 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CB . . . . . . . . . rr_1vm5 1 . 5 . 1081 . 1 1 13 PHE CD1 C 17.841 -4.965 1.793 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CD1 . . . . . . . . . rr_1vm5 1 . 5 . 1082 . 1 1 13 PHE CD2 C 17.778 -3.615 3.809 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CD2 . . . . . . . . . rr_1vm5 1 . 5 . 1083 . 1 1 13 PHE CE1 C 16.479 -5.249 1.946 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CE1 . . . . . . . . . rr_1vm5 1 . 5 . 1084 . 1 1 13 PHE CE2 C 16.416 -3.898 3.952 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CE2 . . . . . . . . . rr_1vm5 1 . 5 . 1085 . 1 1 13 PHE CG C 18.499 -4.145 2.727 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CG . . . . . . . . . rr_1vm5 1 . 5 . 1086 . 1 1 13 PHE CZ C 15.768 -4.717 3.024 . . . 1.0 . . . . . . . . . . . . A . 13 PHE CZ . . . . . . . . . rr_1vm5 1 . 5 . 1087 . 1 1 13 PHE H H 18.597 -2.103 0.807 . . . 1.0 . . . . . . . . . . . . A . 13 PHE H . . . . . . . . . rr_1vm5 1 . 5 . 1088 . 1 1 13 PHE HA H 21.393 -2.897 1.317 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HA . . . . . . . . . rr_1vm5 1 . 5 . 1089 . 1 1 13 PHE HB2 H 20.529 -4.799 2.689 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HB2 . . . . . . . . . rr_1vm5 1 . 5 . 1090 . 1 1 13 PHE HB3 H 20.296 -3.219 3.421 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HB3 . . . . . . . . . rr_1vm5 1 . 5 . 1091 . 1 1 13 PHE HD1 H 18.376 -5.378 0.958 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HD1 . . . . . . . . . rr_1vm5 1 . 5 . 1092 . 1 1 13 PHE HD2 H 18.268 -2.976 4.526 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HD2 . . . . . . . . . rr_1vm5 1 . 5 . 1093 . 1 1 13 PHE HE1 H 15.977 -5.880 1.227 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HE1 . . . . . . . . . rr_1vm5 1 . 5 . 1094 . 1 1 13 PHE HE2 H 15.869 -3.494 4.788 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HE2 . . . . . . . . . rr_1vm5 1 . 5 . 1095 . 1 1 13 PHE HZ H 14.717 -4.937 3.139 . . . 1.0 . . . . . . . . . . . . A . 13 PHE HZ . . . . . . . . . rr_1vm5 1 . 5 . 1096 . 1 1 13 PHE N N 19.541 -2.002 1.053 . . . 1.0 . . . . . . . . . . . . A . 13 PHE N . . . . . . . . . rr_1vm5 1 . 5 . 1097 . 1 1 13 PHE O O 20.604 -5.333 0.231 . . . 1.0 . . . . . . . . . . . . A . 13 PHE O . . . . . . . . . rr_1vm5 1 . 5 . 1098 . 1 1 14 NH2 HN1 H 19.267 -2.871 -1.045 . . . 1.0 . . . . . . . . . . . . A . 14 NH2 HN1 . . . . . . . . . rr_1vm5 1 . 5 . 1099 . 1 1 14 NH2 HN2 H 19.484 -4.417 -1.709 . . . 1.0 . . . . . . . . . . . . A . 14 NH2 HN2 . . . . . . . . . rr_1vm5 1 . 5 . 1100 . 1 1 14 NH2 N N 19.598 -3.791 -0.966 . . . 1.0 . . . . . . . . . . . . A . 14 NH2 N . . . . . . . . . rr_1vm5 1 stop_ save_ ########################### # Constraint Statistics # ########################### save_constraint_statistics _Constraint_stat_list.Sf_framecode constraint_statistics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID rr_1vm5 _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 1vm5.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 rr_1vm5 1 1 1vm5.mr . . XPLOR/CNS 2 distance NOE simple 161 rr_1vm5 1 1 1vm5.mr . . XPLOR/CNS 3 'dihedral angle' 'Not applicable' 'Not applicable' 24 rr_1vm5 1 1 1vm5.mr . . 'MR format' 4 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 rr_1vm5 1 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID rr_1vm5 _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 2 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . rr_1vm5 1 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 1 1 GLY HA2 H . . . 1 1 2 2 LEU H H . . . . . 3.0 1.8 3.5 . . . . . A . 1 GLY HA2 . . A . 2 LEU H . . . 1 . HA2 . . . . . 2 . HN . . rr_1vm5 1 2 1 OR . 1 1 2 2 LEU H H . . . 1 1 2 2 LEU MD1 H . . . . . 3.0 1.8 5.0 . . . . . A . 2 LEU H . . A . 2 LEU MD1 . . . 2 . HN . . . . . 2 . HD* . . rr_1vm5 1 2 2 OR . 1 1 2 2 LEU H H . . . 1 1 2 2 LEU MD2 H . . . . . 3.0 1.8 5.0 . . . . . A . 2 LEU H . . A . 2 LEU MD2 . . . 2 . HN . . . . . 2 . HD* . . rr_1vm5 1 3 1 OR . 1 1 2 2 LEU HA H . . . 1 1 2 2 LEU MD1 H . . . . . 2.5 1.8 3.2 . . . . . A . 2 LEU HA . . A . 2 LEU MD1 . . . 2 . HA . . . . . 2 . HD* . . rr_1vm5 1 3 2 OR . 1 1 2 2 LEU MD2 H . . . 1 1 2 2 LEU HA H . . . . . 2.5 1.8 3.2 . . . . . A . 2 LEU MD2 . . A . 2 LEU HA . . . 2 . HD* . . . . . 2 . HA . . rr_1vm5 1 4 1 OR . 1 1 2 2 LEU H H . . . 1 1 2 2 LEU HB2 H . . . . . 2.5 1.8 2.9 . . . . . A . 2 LEU H . . A . 2 LEU HB2 . . . 2 . HN . . . . . 2 . HB# . . rr_1vm5 1 4 2 OR . 1 1 2 2 LEU H H . . . 1 1 2 2 LEU HB3 H . . . . . 2.5 1.8 2.9 . . . . . A . 2 LEU H . . A . 2 LEU HB3 . . . 2 . HN . . . . . 2 . HB# . . rr_1vm5 1 5 1 OR . 1 1 3 3 PHE H H . . . 1 1 2 2 LEU MD1 H . . . . . 4.0 1.8 5.5 . . . . . A . 3 PHE H . . A . 2 LEU MD1 . . . 3 . HN . . . . . 2 . HD* . . rr_1vm5 1 5 2 OR . 1 1 2 2 LEU MD2 H . . . 1 1 3 3 PHE H H . . . . . 4.0 1.8 5.5 . . . . . A . 2 LEU MD2 . . A . 3 PHE H . . . 2 . HD* . . . . . 3 . HN . . rr_1vm5 1 6 1 . . 1 1 2 2 LEU HA H . . . 1 1 3 3 PHE H H . . . . . 3.0 1.8 3.5 . . . . . A . 2 LEU HA . . A . 3 PHE H . . . 2 . HA . . . . . 3 . HN . . rr_1vm5 1 7 1 . . 1 1 2 2 LEU H H . . . 1 1 3 3 PHE H H . . . . . 2.5 1.8 2.9 . . . . . A . 2 LEU H . . A . 3 PHE H . . . 2 . HN . . . . . 3 . HN . . rr_1vm5 1 8 1 OR . 1 1 3 3 PHE H H . . . 1 1 2 2 LEU HB2 H . . . . . 2.5 1.8 3.4 . . . . . A . 3 PHE H . . A . 2 LEU HB2 . . . 3 . HN . . . . . 2 . HB# . . rr_1vm5 1 8 2 OR . 1 1 2 2 LEU HB3 H . . . 1 1 3 3 PHE H H . . . . . 2.5 1.8 3.4 . . . . . A . 2 LEU HB3 . . A . 3 PHE H . . . 2 . HB# . . . . . 3 . HN . . rr_1vm5 1 9 1 . . 1 1 2 2 LEU HA H . . . 1 1 5 5 ILE HG13 H . . . . . 4.0 1.8 5.0 . . . . . A . 2 LEU HA . . A . 5 ILE HG13 . . . 2 . HA . . . . . 5 . HG11 . . rr_1vm5 1 10 1 . . 1 1 2 2 LEU HA H . . . 1 1 5 5 ILE H H . . . . . 3.0 1.8 3.5 . . . . . A . 2 LEU HA . . A . 5 ILE H . . . 2 . HA . . . . . 5 . HN . . rr_1vm5 1 11 1 . . 1 1 2 2 LEU HA H . . . 1 1 5 5 ILE HB H . . . . . 3.0 1.8 3.3 . . . . . A . 2 LEU HA . . A . 5 ILE HB . . . 2 . HA . . . . . 5 . HB . . rr_1vm5 1 12 1 . . 1 1 2 2 LEU HA H . . . 1 1 6 6 ILE H H . . . . . 4.0 1.8 5.0 . . . . . A . 2 LEU HA . . A . 6 ILE H . . . 2 . HA . . . . . 6 . HN . . rr_1vm5 1 13 1 . . 1 1 3 3 PHE H H . . . 1 1 3 3 PHE QD H . . . . . 4.0 1.8 5.5 . . . . . A . 3 PHE H . . A . 3 PHE QD . . . 3 . HN . . . . . 3 . HD# . . rr_1vm5 1 14 1 OR . 1 1 3 3 PHE QD H . . . 1 1 3 3 PHE HB2 H . . . . . 3.0 1.8 3.8 . . . . . A . 3 PHE QD . . A . 3 PHE HB2 . . . 3 . HD# . . . . . 3 . HB# . . rr_1vm5 1 14 2 OR . 1 1 3 3 PHE QD H . . . 1 1 3 3 PHE HB3 H . . . . . 3.0 1.8 3.8 . . . . . A . 3 PHE QD . . A . 3 PHE HB3 . . . 3 . HD# . . . . . 3 . HB# . . rr_1vm5 1 15 1 . . 1 1 3 3 PHE QD H . . . 1 1 3 3 PHE HA H . . . . . 3.0 1.8 3.8 . . . . . A . 3 PHE QD . . A . 3 PHE HA . . . 3 . HD# . . . . . 3 . HA . . rr_1vm5 1 16 1 OR . 1 1 3 3 PHE H H . . . 1 1 3 3 PHE HB2 H . . . . . 2.5 1.8 2.9 . . . . . A . 3 PHE H . . A . 3 PHE HB2 . . . 3 . HN . . . . . 3 . HB# . . rr_1vm5 1 16 2 OR . 1 1 3 3 PHE H H . . . 1 1 3 3 PHE HB3 H . . . . . 2.5 1.8 2.9 . . . . . A . 3 PHE H . . A . 3 PHE HB3 . . . 3 . HN . . . . . 3 . HB# . . rr_1vm5 1 17 1 . . 1 1 3 3 PHE QD H . . . 1 1 4 4 ASP H H . . . . . 4.0 1.8 5.5 . . . . . A . 3 PHE QD . . A . 4 ASP H . . . 3 . HD# . . . . . 4 . HN . . rr_1vm5 1 18 1 . . 1 1 3 3 PHE HA H . . . 1 1 4 4 ASP H H . . . . . 3.0 1.8 3.5 . . . . . A . 3 PHE HA . . A . 4 ASP H . . . 3 . HA . . . . . 4 . HN . . rr_1vm5 1 19 1 OR . 1 1 4 4 ASP H H . . . 1 1 3 3 PHE HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 4 ASP H . . A . 3 PHE HB2 . . . 4 . HN . . . . . 3 . HB# . . rr_1vm5 1 19 2 OR . 1 1 3 3 PHE HB3 H . . . 1 1 4 4 ASP H H . . . . . 3.0 1.8 3.5 . . . . . A . 3 PHE HB3 . . A . 4 ASP H . . . 3 . HB# . . . . . 4 . HN . . rr_1vm5 1 20 1 . . 1 1 3 3 PHE H H . . . 1 1 4 4 ASP H H . . . . . 2.5 1.8 2.9 . . . . . A . 3 PHE H . . A . 4 ASP H . . . 3 . HN . . . . . 4 . HN . . rr_1vm5 1 21 1 . . 1 1 3 3 PHE HA H . . . 1 1 6 6 ILE MG H . . . . . 4.0 1.8 5.5 . . . . . A . 3 PHE HA . . A . 6 ILE MG . . . 3 . HA . . . . . 6 . HG2# . . rr_1vm5 1 22 1 . . 1 1 3 3 PHE QD H . . . 1 1 6 6 ILE HB H . . . . . 4.0 1.8 5.5 . . . . . A . 3 PHE QD . . A . 6 ILE HB . . . 3 . HD# . . . . . 6 . HB . . rr_1vm5 1 23 1 . . 1 1 3 3 PHE QD H . . . 1 1 6 6 ILE MG H . . . . . 3.0 1.8 4.3 . . . . . A . 3 PHE QD . . A . 6 ILE MG . . . 3 . HD# . . . . . 6 . HG2# . . rr_1vm5 1 24 1 . . 1 1 6 6 ILE H H . . . 1 1 3 3 PHE HA H . . . . . 3.0 1.8 3.5 . . . . . A . 6 ILE H . . A . 3 PHE HA . . . 6 . HN . . . . . 3 . HA . . rr_1vm5 1 25 1 . . 1 1 3 3 PHE HA H . . . 1 1 6 6 ILE MD H . . . . . 3.0 1.8 3.8 . . . . . A . 3 PHE HA . . A . 6 ILE MD . . . 3 . HA . . . . . 6 . HD1# . . rr_1vm5 1 26 1 . . 1 1 3 3 PHE QD H . . . 1 1 6 6 ILE MD H . . . . . 3.0 1.8 4.3 . . . . . A . 3 PHE QD . . A . 6 ILE MD . . . 3 . HD# . . . . . 6 . HD1# . . rr_1vm5 1 27 1 . . 1 1 3 3 PHE HA H . . . 1 1 6 6 ILE HB H . . . . . 3.0 1.8 3.3 . . . . . A . 3 PHE HA . . A . 6 ILE HB . . . 3 . HA . . . . . 6 . HB . . rr_1vm5 1 28 1 . . 1 1 3 3 PHE HA H . . . 1 1 7 7 LYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 3 PHE HA . . A . 7 LYS H . . . 3 . HA . . . . . 7 . HN . . rr_1vm5 1 29 1 OR . 1 1 3 3 PHE QD H . . . 1 1 7 7 LYS HE2 H . . . . . 4.0 1.8 6.0 . . . . . A . 3 PHE QD . . A . 7 LYS HE2 . . . 3 . HD# . . . . . 7 . HE# . . rr_1vm5 1 29 2 OR . 1 1 3 3 PHE QD H . . . 1 1 7 7 LYS HE3 H . . . . . 4.0 1.8 6.0 . . . . . A . 3 PHE QD . . A . 7 LYS HE3 . . . 3 . HD# . . . . . 7 . HE# . . rr_1vm5 1 30 1 OR . 1 1 3 3 PHE QD H . . . 1 1 7 7 LYS HD2 H . . . . . 4.0 1.8 6.0 . . . . . A . 3 PHE QD . . A . 7 LYS HD2 . . . 3 . HD# . . . . . 7 . HD# . . rr_1vm5 1 30 2 OR . 1 1 3 3 PHE QD H . . . 1 1 7 7 LYS HD3 H . . . . . 4.0 1.8 6.0 . . . . . A . 3 PHE QD . . A . 7 LYS HD3 . . . 3 . HD# . . . . . 7 . HD# . . rr_1vm5 1 31 1 OR . 1 1 3 3 PHE QE H . . . 1 1 7 7 LYS HD2 H . . . . . 4.0 1.8 6.0 . . . . . A . 3 PHE QE . . A . 7 LYS HD2 . . . 3 . HE# . . . . . 7 . HD# . . rr_1vm5 1 31 2 OR . 1 1 7 7 LYS HD3 H . . . 1 1 3 3 PHE QE H . . . . . 4.0 1.8 6.0 . . . . . A . 7 LYS HD3 . . A . 3 PHE QE . . . 7 . HD# . . . . . 3 . HE# . . rr_1vm5 1 32 1 . . 1 1 6 6 ILE MD H . . . 1 1 3 3 PHE QE H . . . . . 4.0 1.8 6.0 . . . . . A . 6 ILE MD . . A . 3 PHE QE . . . 6 . HD1# . . . . . 3 . HE# . . rr_1vm5 1 33 1 . . 1 1 6 6 ILE MG H . . . 1 1 3 3 PHE QE H . . . . . 4.0 1.8 6.0 . . . . . A . 6 ILE MG . . A . 3 PHE QE . . . 6 . HG2# . . . . . 3 . HE# . . rr_1vm5 1 34 1 OR . 1 1 3 3 PHE QD H . . . 1 1 6 6 ILE HG13 H . . . . . 4.0 1.8 6.0 . . . . . A . 3 PHE QD . . A . 6 ILE HG13 . . . 3 . HD# . . . . . 6 . HG1# . . rr_1vm5 1 34 2 OR . 1 1 3 3 PHE QD H . . . 1 1 6 6 ILE HG12 H . . . . . 4.0 1.8 6.0 . . . . . A . 3 PHE QD . . A . 6 ILE HG12 . . . 3 . HD# . . . . . 6 . HG1# . . rr_1vm5 1 35 1 OR . 1 1 4 4 ASP H H . . . 1 1 4 4 ASP HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 4 ASP H . . A . 4 ASP HB2 . . . 4 . HN . . . . . 4 . HB# . . rr_1vm5 1 35 2 OR . 1 1 4 4 ASP H H . . . 1 1 4 4 ASP HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 4 ASP H . . A . 4 ASP HB3 . . . 4 . HN . . . . . 4 . HB# . . rr_1vm5 1 36 1 . . 1 1 5 5 ILE HB H . . . 1 1 4 4 ASP H H . . . . . 3.0 1.8 5.0 . . . . . A . 5 ILE HB . . A . 4 ASP H . . . 5 . HB . . . . . 4 . HN . . rr_1vm5 1 37 1 . . 1 1 5 5 ILE H H . . . 1 1 4 4 ASP HA H . . . . . 3.0 1.8 3.5 . . . . . A . 5 ILE H . . A . 4 ASP HA . . . 5 . HN . . . . . 4 . HA . . rr_1vm5 1 38 1 OR . 1 1 5 5 ILE H H . . . 1 1 4 4 ASP HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 5 ILE H . . A . 4 ASP HB2 . . . 5 . HN . . . . . 4 . HB# . . rr_1vm5 1 38 2 OR . 1 1 5 5 ILE H H . . . 1 1 4 4 ASP HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 5 ILE H . . A . 4 ASP HB3 . . . 5 . HN . . . . . 4 . HB# . . rr_1vm5 1 39 1 OR . 1 1 4 4 ASP HA H . . . 1 1 7 7 LYS HD2 H . . . . . 4.0 1.8 5.5 . . . . . A . 4 ASP HA . . A . 7 LYS HD2 . . . 4 . HA . . . . . 7 . HD# . . rr_1vm5 1 39 2 OR . 1 1 7 7 LYS HD3 H . . . 1 1 4 4 ASP HA H . . . . . 4.0 1.8 5.5 . . . . . A . 7 LYS HD3 . . A . 4 ASP HA . . . 7 . HD# . . . . . 4 . HA . . rr_1vm5 1 40 1 OR . 1 1 4 4 ASP HA H . . . 1 1 7 7 LYS HB2 H . . . . . 3.0 1.8 3.3 . . . . . A . 4 ASP HA . . A . 7 LYS HB2 . . . 4 . HA . . . . . 7 . HB# . . rr_1vm5 1 40 2 OR . 1 1 4 4 ASP HA H . . . 1 1 7 7 LYS HB3 H . . . . . 3.0 1.8 3.3 . . . . . A . 4 ASP HA . . A . 7 LYS HB3 . . . 4 . HA . . . . . 7 . HB# . . rr_1vm5 1 41 1 . . 1 1 7 7 LYS H H . . . 1 1 4 4 ASP HA H . . . . . 3.0 1.8 3.5 . . . . . A . 7 LYS H . . A . 4 ASP HA . . . 7 . HN . . . . . 4 . HA . . rr_1vm5 1 42 1 . . 1 1 5 5 ILE H H . . . 1 1 5 5 ILE MD H . . . . . 3.0 1.8 4.0 . . . . . A . 5 ILE H . . A . 5 ILE MD . . . 5 . HN . . . . . 5 . HD1# . . rr_1vm5 1 43 1 . . 1 1 5 5 ILE MD H . . . 1 1 5 5 ILE HA H . . . . . 3.0 1.8 4.3 . . . . . A . 5 ILE MD . . A . 5 ILE HA . . . 5 . HD1# . . . . . 5 . HA . . rr_1vm5 1 44 1 . . 1 1 5 5 ILE H H . . . 1 1 5 5 ILE HG12 H . . . . . 3.0 1.8 3.5 . . . . . A . 5 ILE H . . A . 5 ILE HG12 . . . 5 . HN . . . . . 5 . HG12 . . rr_1vm5 1 45 1 . . 1 1 5 5 ILE HG13 H . . . 1 1 5 5 ILE HA H . . . . . 3.0 1.8 3.3 . . . . . A . 5 ILE HG13 . . A . 5 ILE HA . . . 5 . HG11 . . . . . 5 . HA . . rr_1vm5 1 46 1 . . 1 1 5 5 ILE H H . . . 1 1 5 5 ILE MG H . . . . . 3.0 1.8 4.0 . . . . . A . 5 ILE H . . A . 5 ILE MG . . . 5 . HN . . . . . 5 . HG2# . . rr_1vm5 1 47 1 . . 1 1 5 5 ILE HA H . . . 1 1 5 5 ILE HG12 H . . . . . 2.5 1.8 2.7 . . . . . A . 5 ILE HA . . A . 5 ILE HG12 . . . 5 . HA . . . . . 5 . HG12 . . rr_1vm5 1 48 1 . . 1 1 5 5 ILE HB H . . . 1 1 5 5 ILE MD H . . . . . 2.5 1.8 3.2 . . . . . A . 5 ILE HB . . A . 5 ILE MD . . . 5 . HB . . . . . 5 . HD1# . . rr_1vm5 1 49 1 . . 1 1 5 5 ILE HG13 H . . . 1 1 5 5 ILE H H . . . . . 2.5 1.8 2.9 . . . . . A . 5 ILE HG13 . . A . 5 ILE H . . . 5 . HG11 . . . . . 5 . HN . . rr_1vm5 1 50 1 . . 1 1 5 5 ILE H H . . . 1 1 5 5 ILE HB H . . . . . 2.5 1.8 2.9 . . . . . A . 5 ILE H . . A . 5 ILE HB . . . 5 . HN . . . . . 5 . HB . . rr_1vm5 1 51 1 . . 1 1 5 5 ILE HA H . . . 1 1 5 5 ILE MG H . . . . . 2.5 1.8 3.2 . . . . . A . 5 ILE HA . . A . 5 ILE MG . . . 5 . HA . . . . . 5 . HG2# . . rr_1vm5 1 52 1 . . 1 1 5 5 ILE HB H . . . 1 1 6 6 ILE HA H . . . . . 4.0 1.8 6.0 . . . . . A . 5 ILE HB . . A . 6 ILE HA . . . 5 . HB . . . . . 6 . HA . . rr_1vm5 1 53 1 . . 1 1 5 5 ILE H H . . . 1 1 6 6 ILE HB H . . . . . 4.0 1.8 5.0 . . . . . A . 5 ILE H . . A . 6 ILE HB . . . 5 . HN . . . . . 6 . HB . . rr_1vm5 1 54 1 . . 1 1 6 6 ILE H H . . . 1 1 5 5 ILE HA H . . . . . 3.0 1.8 3.5 . . . . . A . 6 ILE H . . A . 5 ILE HA . . . 6 . HN . . . . . 5 . HA . . rr_1vm5 1 55 1 . . 1 1 5 5 ILE HB H . . . 1 1 6 6 ILE H H . . . . . 2.5 1.8 3.4 . . . . . A . 5 ILE HB . . A . 6 ILE H . . . 5 . HB . . . . . 6 . HN . . rr_1vm5 1 56 1 . . 1 1 5 5 ILE H H . . . 1 1 6 6 ILE H H . . . . . 2.5 1.8 2.9 . . . . . A . 5 ILE H . . A . 6 ILE H . . . 5 . HN . . . . . 6 . HN . . rr_1vm5 1 57 1 OR . 1 1 5 5 ILE HA H . . . 1 1 8 8 LYS HD2 H . . . . . 3.0 1.8 3.8 . . . . . A . 5 ILE HA . . A . 8 LYS HD2 . . . 5 . HA . . . . . 8 . HD# . . rr_1vm5 1 57 2 OR . 1 1 5 5 ILE HA H . . . 1 1 8 8 LYS HD3 H . . . . . 3.0 1.8 3.8 . . . . . A . 5 ILE HA . . A . 8 LYS HD3 . . . 5 . HA . . . . . 8 . HD# . . rr_1vm5 1 58 1 . . 1 1 5 5 ILE HA H . . . 1 1 8 8 LYS H H . . . . . 3.0 1.8 3.5 . . . . . A . 5 ILE HA . . A . 8 LYS H . . . 5 . HA . . . . . 8 . HN . . rr_1vm5 1 59 1 OR . 1 1 5 5 ILE HA H . . . 1 1 8 8 LYS HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 5 ILE HA . . A . 8 LYS HB2 . . . 5 . HA . . . . . 8 . HB# . . rr_1vm5 1 59 2 OR . 1 1 5 5 ILE HA H . . . 1 1 8 8 LYS HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 5 ILE HA . . A . 8 LYS HB3 . . . 5 . HA . . . . . 8 . HB# . . rr_1vm5 1 60 1 . . 1 1 6 6 ILE H H . . . 1 1 6 6 ILE MD H . . . . . 3.0 1.8 4.0 . . . . . A . 6 ILE H . . A . 6 ILE MD . . . 6 . HN . . . . . 6 . HD1# . . rr_1vm5 1 61 1 . . 1 1 6 6 ILE HA H . . . 1 1 6 6 ILE HG13 H . . . . . 3.0 1.8 3.3 . . . . . A . 6 ILE HA . . A . 6 ILE HG13 . . . 6 . HA . . . . . 6 . HG11 . . rr_1vm5 1 62 1 . . 1 1 6 6 ILE H H . . . 1 1 6 6 ILE MG H . . . . . 3.0 1.8 4.0 . . . . . A . 6 ILE H . . A . 6 ILE MG . . . 6 . HN . . . . . 6 . HG2# . . rr_1vm5 1 63 1 . . 1 1 6 6 ILE H H . . . 1 1 6 6 ILE HG12 H . . . . . 3.0 1.8 3.8 . . . . . A . 6 ILE H . . A . 6 ILE HG12 . . . 6 . HN . . . . . 6 . HG12 . . rr_1vm5 1 64 1 . . 1 1 6 6 ILE MD H . . . 1 1 6 6 ILE HA H . . . . . 3.0 1.8 4.3 . . . . . A . 6 ILE MD . . A . 6 ILE HA . . . 6 . HD1# . . . . . 6 . HA . . rr_1vm5 1 65 1 . . 1 1 6 6 ILE H H . . . 1 1 6 6 ILE HG13 H . . . . . 2.5 1.8 2.9 . . . . . A . 6 ILE H . . A . 6 ILE HG13 . . . 6 . HN . . . . . 6 . HG11 . . rr_1vm5 1 66 1 . . 1 1 6 6 ILE H H . . . 1 1 6 6 ILE HB H . . . . . 2.5 1.8 2.9 . . . . . A . 6 ILE H . . A . 6 ILE HB . . . 6 . HN . . . . . 6 . HB . . rr_1vm5 1 67 1 . . 1 1 6 6 ILE MG H . . . 1 1 6 6 ILE HA H . . . . . 2.5 1.8 3.2 . . . . . A . 6 ILE MG . . A . 6 ILE HA . . . 6 . HG2# . . . . . 6 . HA . . rr_1vm5 1 68 1 . . 1 1 6 6 ILE HB H . . . 1 1 7 7 LYS HA H . . . . . 4.0 1.8 5.0 . . . . . A . 6 ILE HB . . A . 7 LYS HA . . . 6 . HB . . . . . 7 . HA . . rr_1vm5 1 69 1 . . 1 1 6 6 ILE MD H . . . 1 1 7 7 LYS H H . . . . . 4.0 1.8 5.5 . . . . . A . 6 ILE MD . . A . 7 LYS H . . . 6 . HD1# . . . . . 7 . HN . . rr_1vm5 1 70 1 . . 1 1 7 7 LYS H H . . . 1 1 6 6 ILE HA H . . . . . 3.0 1.8 3.5 . . . . . A . 7 LYS H . . A . 6 ILE HA . . . 7 . HN . . . . . 6 . HA . . rr_1vm5 1 71 1 . . 1 1 6 6 ILE MG H . . . 1 1 7 7 LYS H H . . . . . 3.0 1.8 4.0 . . . . . A . 6 ILE MG . . A . 7 LYS H . . . 6 . HG2# . . . . . 7 . HN . . rr_1vm5 1 72 1 . . 1 1 6 6 ILE MG H . . . 1 1 7 7 LYS HA H . . . . . 3.0 1.8 4.3 . . . . . A . 6 ILE MG . . A . 7 LYS HA . . . 6 . HG2# . . . . . 7 . HA . . rr_1vm5 1 73 1 . . 1 1 6 6 ILE HB H . . . 1 1 7 7 LYS H H . . . . . 2.5 1.8 3.4 . . . . . A . 6 ILE HB . . A . 7 LYS H . . . 6 . HB . . . . . 7 . HN . . rr_1vm5 1 74 1 . . 1 1 6 6 ILE HA H . . . 1 1 8 8 LYS H H . . . . . 4.0 1.8 5.0 . . . . . A . 6 ILE HA . . A . 8 LYS H . . . 6 . HA . . . . . 8 . HN . . rr_1vm5 1 75 1 . . 1 1 6 6 ILE H H . . . 1 1 8 8 LYS H H . . . . . 3.0 1.8 3.8 . . . . . A . 6 ILE H . . A . 8 LYS H . . . 6 . HN . . . . . 8 . HN . . rr_1vm5 1 76 1 . . 1 1 6 6 ILE HA H . . . 1 1 9 9 ILE HG12 H . . . . . 4.0 1.8 5.0 . . . . . A . 6 ILE HA . . A . 9 ILE HG12 . . . 6 . HA . . . . . 9 . HG12 . . rr_1vm5 1 77 1 . . 1 1 6 6 ILE HA H . . . 1 1 9 9 ILE HG13 H . . . . . 3.0 1.8 3.3 . . . . . A . 6 ILE HA . . A . 9 ILE HG13 . . . 6 . HA . . . . . 9 . HG11 . . rr_1vm5 1 78 1 . . 1 1 6 6 ILE HA H . . . 1 1 9 9 ILE H H . . . . . 3.0 1.8 3.5 . . . . . A . 6 ILE HA . . A . 9 ILE H . . . 6 . HA . . . . . 9 . HN . . rr_1vm5 1 79 1 . . 1 1 6 6 ILE HA H . . . 1 1 9 9 ILE MG H . . . . . 3.0 1.8 4.3 . . . . . A . 6 ILE HA . . A . 9 ILE MG . . . 6 . HA . . . . . 9 . HG2# . . rr_1vm5 1 80 1 . . 1 1 6 6 ILE HA H . . . 1 1 9 9 ILE HB H . . . . . 2.5 1.8 2.7 . . . . . A . 6 ILE HA . . A . 9 ILE HB . . . 6 . HA . . . . . 9 . HB . . rr_1vm5 1 81 1 . . 1 1 6 6 ILE HA H . . . 1 1 10 10 ALA H H . . . . . 4.0 1.8 5.0 . . . . . A . 6 ILE HA . . A . 10 ALA H . . . 6 . HA . . . . . 10 . HN . . rr_1vm5 1 82 1 . . 1 1 6 6 ILE MG H . . . 1 1 10 10 ALA H H . . . . . 4.0 1.8 5.5 . . . . . A . 6 ILE MG . . A . 10 ALA H . . . 6 . HG2# . . . . . 10 . HN . . rr_1vm5 1 83 1 OR . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HD2 H . . . . . 4.0 1.8 5.5 . . . . . A . 7 LYS H . . A . 7 LYS HD2 . . . 7 . HN . . . . . 7 . HD# . . rr_1vm5 1 83 2 OR . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HD3 H . . . . . 4.0 1.8 5.5 . . . . . A . 7 LYS H . . A . 7 LYS HD3 . . . 7 . HN . . . . . 7 . HD# . . rr_1vm5 1 84 1 OR . 1 1 7 7 LYS HA H . . . 1 1 7 7 LYS HD2 H . . . . . 3.0 1.8 3.8 . . . . . A . 7 LYS HA . . A . 7 LYS HD2 . . . 7 . HA . . . . . 7 . HD# . . rr_1vm5 1 84 2 OR . 1 1 7 7 LYS HD3 H . . . 1 1 7 7 LYS HA H . . . . . 3.0 1.8 3.8 . . . . . A . 7 LYS HD3 . . A . 7 LYS HA . . . 7 . HD# . . . . . 7 . HA . . rr_1vm5 1 85 1 OR . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HG2 H . . . . . 3.0 1.8 3.5 . . . . . A . 7 LYS H . . A . 7 LYS HG2 . . . 7 . HN . . . . . 7 . HG# . . rr_1vm5 1 85 2 OR . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HG3 H . . . . . 3.0 1.8 3.5 . . . . . A . 7 LYS H . . A . 7 LYS HG3 . . . 7 . HN . . . . . 7 . HG# . . rr_1vm5 1 86 1 OR . 1 1 7 7 LYS HA H . . . 1 1 7 7 LYS HG2 H . . . . . 3.0 1.8 3.3 . . . . . A . 7 LYS HA . . A . 7 LYS HG2 . . . 7 . HA . . . . . 7 . HG# . . rr_1vm5 1 86 2 OR . 1 1 7 7 LYS HA H . . . 1 1 7 7 LYS HG3 H . . . . . 3.0 1.8 3.3 . . . . . A . 7 LYS HA . . A . 7 LYS HG3 . . . 7 . HA . . . . . 7 . HG# . . rr_1vm5 1 87 1 OR . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HB2 H . . . . . 2.5 1.8 2.9 . . . . . A . 7 LYS H . . A . 7 LYS HB2 . . . 7 . HN . . . . . 7 . HB# . . rr_1vm5 1 87 2 OR . 1 1 7 7 LYS H H . . . 1 1 7 7 LYS HB3 H . . . . . 2.5 1.8 2.9 . . . . . A . 7 LYS H . . A . 7 LYS HB3 . . . 7 . HN . . . . . 7 . HB# . . rr_1vm5 1 88 1 . . 1 1 8 8 LYS H H . . . 1 1 7 7 LYS HA H . . . . . 3.0 1.8 3.5 . . . . . A . 8 LYS H . . A . 7 LYS HA . . . 8 . HN . . . . . 7 . HA . . rr_1vm5 1 89 1 OR . 1 1 8 8 LYS H H . . . 1 1 7 7 LYS HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 8 LYS H . . A . 7 LYS HB2 . . . 8 . HN . . . . . 7 . HB# . . rr_1vm5 1 89 2 OR . 1 1 7 7 LYS HB3 H . . . 1 1 8 8 LYS H H . . . . . 3.0 1.8 3.5 . . . . . A . 7 LYS HB3 . . A . 8 LYS H . . . 7 . HB# . . . . . 8 . HN . . rr_1vm5 1 90 1 . . 1 1 7 7 LYS H H . . . 1 1 8 8 LYS H H . . . . . 2.5 1.8 2.9 . . . . . A . 7 LYS H . . A . 8 LYS H . . . 7 . HN . . . . . 8 . HN . . rr_1vm5 1 91 1 . . 1 1 7 7 LYS H H . . . 1 1 9 9 ILE H H . . . . . 3.0 1.8 3.5 . . . . . A . 7 LYS H . . A . 9 ILE H . . . 7 . HN . . . . . 9 . HN . . rr_1vm5 1 92 1 . . 1 1 7 7 LYS H H . . . 1 1 10 10 ALA MB H . . . . . 4.0 1.8 6.5 . . . . . A . 7 LYS H . . A . 10 ALA MB . . . 7 . HN . . . . . 10 . HB# . . rr_1vm5 1 93 1 . . 1 1 7 7 LYS HA H . . . 1 1 10 10 ALA H H . . . . . 3.0 1.8 3.5 . . . . . A . 7 LYS HA . . A . 10 ALA H . . . 7 . HA . . . . . 10 . HN . . rr_1vm5 1 94 1 . . 1 1 7 7 LYS HA H . . . 1 1 10 10 ALA MB H . . . . . 2.5 1.8 3.2 . . . . . A . 7 LYS HA . . A . 10 ALA MB . . . 7 . HA . . . . . 10 . HB# . . rr_1vm5 1 95 1 . . 1 1 7 7 LYS HA H . . . 1 1 11 11 GLU H H . . . . . 4.0 1.8 5.0 . . . . . A . 7 LYS HA . . A . 11 GLU H . . . 7 . HA . . . . . 11 . HN . . rr_1vm5 1 96 1 OR . 1 1 8 8 LYS H H . . . 1 1 8 8 LYS HG2 H . . . . . 4.0 1.8 5.0 . . . . . A . 8 LYS H . . A . 8 LYS HG2 . . . 8 . HN . . . . . 8 . HG# . . rr_1vm5 1 96 2 OR . 1 1 8 8 LYS H H . . . 1 1 8 8 LYS HG3 H . . . . . 4.0 1.8 5.0 . . . . . A . 8 LYS H . . A . 8 LYS HG3 . . . 8 . HN . . . . . 8 . HG# . . rr_1vm5 1 97 1 OR . 1 1 8 8 LYS HA H . . . 1 1 8 8 LYS HG2 H . . . . . 3.0 1.8 3.3 . . . . . A . 8 LYS HA . . A . 8 LYS HG2 . . . 8 . HA . . . . . 8 . HG# . . rr_1vm5 1 97 2 OR . 1 1 8 8 LYS HG3 H . . . 1 1 8 8 LYS HA H . . . . . 3.0 1.8 3.3 . . . . . A . 8 LYS HG3 . . A . 8 LYS HA . . . 8 . HG# . . . . . 8 . HA . . rr_1vm5 1 98 1 OR . 1 1 8 8 LYS HA H . . . 1 1 8 8 LYS HD2 H . . . . . 3.0 1.8 3.8 . . . . . A . 8 LYS HA . . A . 8 LYS HD2 . . . 8 . HA . . . . . 8 . HD# . . rr_1vm5 1 98 2 OR . 1 1 8 8 LYS HD3 H . . . 1 1 8 8 LYS HA H . . . . . 3.0 1.8 3.8 . . . . . A . 8 LYS HD3 . . A . 8 LYS HA . . . 8 . HD# . . . . . 8 . HA . . rr_1vm5 1 99 1 OR . 1 1 8 8 LYS H H . . . 1 1 8 8 LYS HB2 H . . . . . 2.5 1.8 3.4 . . . . . A . 8 LYS H . . A . 8 LYS HB2 . . . 8 . HN . . . . . 8 . HB# . . rr_1vm5 1 99 2 OR . 1 1 8 8 LYS H H . . . 1 1 8 8 LYS HB3 H . . . . . 2.5 1.8 3.4 . . . . . A . 8 LYS H . . A . 8 LYS HB3 . . . 8 . HN . . . . . 8 . HB# . . rr_1vm5 1 100 1 . . 1 1 9 9 ILE H H . . . 1 1 8 8 LYS HA H . . . . . 3.0 1.8 3.5 . . . . . A . 9 ILE H . . A . 8 LYS HA . . . 9 . HN . . . . . 8 . HA . . rr_1vm5 1 101 1 . . 1 1 8 8 LYS H H . . . 1 1 9 9 ILE H H . . . . . 2.5 1.8 2.9 . . . . . A . 8 LYS H . . A . 9 ILE H . . . 8 . HN . . . . . 9 . HN . . rr_1vm5 1 102 1 . . 1 1 8 8 LYS H H . . . 1 1 10 10 ALA H H . . . . . 4.0 1.8 5.0 . . . . . A . 8 LYS H . . A . 10 ALA H . . . 8 . HN . . . . . 10 . HN . . rr_1vm5 1 103 1 . . 1 1 10 10 ALA H H . . . 1 1 8 8 LYS HA H . . . . . 3.0 1.8 3.5 . . . . . A . 10 ALA H . . A . 8 LYS HA . . . 10 . HN . . . . . 8 . HA . . rr_1vm5 1 104 1 OR . 1 1 11 11 GLU H H . . . 1 1 8 8 LYS HB2 H . . . . . 4.0 1.8 5.5 . . . . . A . 11 GLU H . . A . 8 LYS HB2 . . . 11 . HN . . . . . 8 . HB# . . rr_1vm5 1 104 2 OR . 1 1 8 8 LYS HB3 H . . . 1 1 11 11 GLU H H . . . . . 4.0 1.8 5.5 . . . . . A . 8 LYS HB3 . . A . 11 GLU H . . . 8 . HB# . . . . . 11 . HN . . rr_1vm5 1 105 1 . . 1 1 9 9 ILE MD H . . . 1 1 9 9 ILE HA H . . . . . 3.0 1.8 4.3 . . . . . A . 9 ILE MD . . A . 9 ILE HA . . . 9 . HD1# . . . . . 9 . HA . . rr_1vm5 1 106 1 . . 1 1 9 9 ILE H H . . . 1 1 9 9 ILE MD H . . . . . 3.0 1.8 4.0 . . . . . A . 9 ILE H . . A . 9 ILE MD . . . 9 . HN . . . . . 9 . HD1# . . rr_1vm5 1 107 1 . . 1 1 9 9 ILE HG12 H . . . 1 1 9 9 ILE H H . . . . . 3.0 1.8 3.5 . . . . . A . 9 ILE HG12 . . A . 9 ILE H . . . 9 . HG12 . . . . . 9 . HN . . rr_1vm5 1 108 1 . . 1 1 9 9 ILE H H . . . 1 1 9 9 ILE MG H . . . . . 3.0 1.8 4.0 . . . . . A . 9 ILE H . . A . 9 ILE MG . . . 9 . HN . . . . . 9 . HG2# . . rr_1vm5 1 109 1 . . 1 1 9 9 ILE HG13 H . . . 1 1 9 9 ILE HA H . . . . . 2.5 1.8 3.2 . . . . . A . 9 ILE HG13 . . A . 9 ILE HA . . . 9 . HG11 . . . . . 9 . HA . . rr_1vm5 1 110 1 . . 1 1 9 9 ILE HG12 H . . . 1 1 9 9 ILE HA H . . . . . 2.5 1.8 3.2 . . . . . A . 9 ILE HG12 . . A . 9 ILE HA . . . 9 . HG12 . . . . . 9 . HA . . rr_1vm5 1 111 1 . . 1 1 9 9 ILE HG13 H . . . 1 1 9 9 ILE H H . . . . . 2.5 1.8 2.9 . . . . . A . 9 ILE HG13 . . A . 9 ILE H . . . 9 . HG11 . . . . . 9 . HN . . rr_1vm5 1 112 1 . . 1 1 9 9 ILE MG H . . . 1 1 9 9 ILE HA H . . . . . 2.5 1.8 3.2 . . . . . A . 9 ILE MG . . A . 9 ILE HA . . . 9 . HG2# . . . . . 9 . HA . . rr_1vm5 1 113 1 . . 1 1 9 9 ILE H H . . . 1 1 9 9 ILE HB H . . . . . 2.5 1.8 2.9 . . . . . A . 9 ILE H . . A . 9 ILE HB . . . 9 . HN . . . . . 9 . HB . . rr_1vm5 1 114 1 . . 1 1 10 10 ALA H H . . . 1 1 9 9 ILE MD H . . . . . 4.0 1.8 5.5 . . . . . A . 10 ALA H . . A . 9 ILE MD . . . 10 . HN . . . . . 9 . HD1# . . rr_1vm5 1 115 1 . . 1 1 9 9 ILE HG13 H . . . 1 1 10 10 ALA H H . . . . . 4.0 1.8 5.0 . . . . . A . 9 ILE HG13 . . A . 10 ALA H . . . 9 . HG11 . . . . . 10 . HN . . rr_1vm5 1 116 1 . . 1 1 9 9 ILE H H . . . 1 1 10 10 ALA MB H . . . . . 3.0 1.8 5.0 . . . . . A . 9 ILE H . . A . 10 ALA MB . . . 9 . HN . . . . . 10 . HB# . . rr_1vm5 1 117 1 . . 1 1 10 10 ALA H H . . . 1 1 9 9 ILE HA H . . . . . 3.0 1.8 3.5 . . . . . A . 10 ALA H . . A . 9 ILE HA . . . 10 . HN . . . . . 9 . HA . . rr_1vm5 1 118 1 . . 1 1 9 9 ILE MG H . . . 1 1 10 10 ALA H H . . . . . 3.0 1.8 4.0 . . . . . A . 9 ILE MG . . A . 10 ALA H . . . 9 . HG2# . . . . . 10 . HN . . rr_1vm5 1 119 1 . . 1 1 9 9 ILE HB H . . . 1 1 10 10 ALA H H . . . . . 2.5 1.8 3.4 . . . . . A . 9 ILE HB . . A . 10 ALA H . . . 9 . HB . . . . . 10 . HN . . rr_1vm5 1 120 1 . . 1 1 9 9 ILE H H . . . 1 1 10 10 ALA H H . . . . . 2.5 1.8 2.9 . . . . . A . 9 ILE H . . A . 10 ALA H . . . 9 . HN . . . . . 10 . HN . . rr_1vm5 1 121 1 . . 1 1 11 11 GLU H H . . . 1 1 9 9 ILE HA H . . . . . 4.0 1.8 6.0 . . . . . A . 11 GLU H . . A . 9 ILE HA . . . 11 . HN . . . . . 9 . HA . . rr_1vm5 1 122 1 . . 1 1 9 9 ILE MG H . . . 1 1 12 12 SER H H . . . . . 4.0 1.8 6.5 . . . . . A . 9 ILE MG . . A . 12 SER H . . . 9 . HG2# . . . . . 12 . HN . . rr_1vm5 1 123 1 . . 1 1 9 9 ILE MG H . . . 1 1 13 13 PHE H H . . . . . 4.0 1.8 6.5 . . . . . A . 9 ILE MG . . A . 13 PHE H . . . 9 . HG2# . . . . . 13 . HN . . rr_1vm5 1 124 1 . . 1 1 9 9 ILE HA H . . . 1 1 13 13 PHE QD H . . . . . 4.0 1.8 5.5 . . . . . A . 9 ILE HA . . A . 13 PHE QD . . . 9 . HA . . . . . 13 . HD# . . rr_1vm5 1 125 1 . . 1 1 9 9 ILE MG H . . . 1 1 13 13 PHE QD H . . . . . 3.0 1.8 4.8 . . . . . A . 9 ILE MG . . A . 13 PHE QD . . . 9 . HG2# . . . . . 13 . HD# . . rr_1vm5 1 126 1 . . 1 1 9 9 ILE MG H . . . 1 1 13 13 PHE QE H . . . . . 3.0 1.8 4.3 . . . . . A . 9 ILE MG . . A . 13 PHE QE . . . 9 . HG2# . . . . . 13 . HE# . . rr_1vm5 1 127 1 . . 1 1 9 9 ILE MG H . . . 1 1 13 13 PHE HZ H . . . . . 4.0 1.8 5.5 . . . . . A . 9 ILE MG . . A . 13 PHE HZ . . . 9 . HG2# . . . . . 13 . HZ . . rr_1vm5 1 128 1 . . 1 1 9 9 ILE HA H . . . 1 1 13 13 PHE QE H . . . . . 4.0 1.8 6.5 . . . . . A . 9 ILE HA . . A . 13 PHE QE . . . 9 . HA . . . . . 13 . HE# . . rr_1vm5 1 129 1 . . 1 1 10 10 ALA H H . . . 1 1 10 10 ALA MB H . . . . . 2.5 1.8 3.4 . . . . . A . 10 ALA H . . A . 10 ALA MB . . . 10 . HN . . . . . 10 . HB# . . rr_1vm5 1 130 1 . . 1 1 11 11 GLU H H . . . 1 1 10 10 ALA HA H . . . . . 3.0 1.8 3.5 . . . . . A . 11 GLU H . . A . 10 ALA HA . . . 11 . HN . . . . . 10 . HA . . rr_1vm5 1 131 1 . . 1 1 10 10 ALA H H . . . 1 1 11 11 GLU H H . . . . . 2.5 1.8 2.9 . . . . . A . 10 ALA H . . A . 11 GLU H . . . 10 . HN . . . . . 11 . HN . . rr_1vm5 1 132 1 . . 1 1 10 10 ALA MB H . . . 1 1 11 11 GLU H H . . . . . 2.5 1.8 3.4 . . . . . A . 10 ALA MB . . A . 11 GLU H . . . 10 . HB# . . . . . 11 . HN . . rr_1vm5 1 133 1 . . 1 1 10 10 ALA H H . . . 1 1 12 12 SER H H . . . . . 4.0 1.8 5.0 . . . . . A . 10 ALA H . . A . 12 SER H . . . 10 . HN . . . . . 12 . HN . . rr_1vm5 1 134 1 . . 1 1 10 10 ALA MB H . . . 1 1 12 12 SER H H . . . . . 4.0 1.8 5.5 . . . . . A . 10 ALA MB . . A . 12 SER H . . . 10 . HB# . . . . . 12 . HN . . rr_1vm5 1 135 1 . . 1 1 13 13 PHE H H . . . 1 1 10 10 ALA HA H . . . . . 3.0 1.8 3.5 . . . . . A . 13 PHE H . . A . 10 ALA HA . . . 13 . HN . . . . . 10 . HA . . rr_1vm5 1 136 1 . . 1 1 10 10 ALA MB H . . . 1 1 13 13 PHE H H . . . . . 4.0 1.8 6.5 . . . . . A . 10 ALA MB . . A . 13 PHE H . . . 10 . HB# . . . . . 13 . HN . . rr_1vm5 1 137 1 . . 1 1 13 13 PHE QD H . . . 1 1 10 10 ALA HA H . . . . . 3.0 1.8 3.8 . . . . . A . 13 PHE QD . . A . 10 ALA HA . . . 13 . HD# . . . . . 10 . HA . . rr_1vm5 1 138 1 . . 1 1 10 10 ALA MB H . . . 1 1 13 13 PHE QD H . . . . . 4.0 1.8 6.0 . . . . . A . 10 ALA MB . . A . 13 PHE QD . . . 10 . HB# . . . . . 13 . HD# . . rr_1vm5 1 139 1 OR . 1 1 11 11 GLU H H . . . 1 1 11 11 GLU HG2 H . . . . . 3.0 1.8 3.5 . . . . . A . 11 GLU H . . A . 11 GLU HG2 . . . 11 . HN . . . . . 11 . HG# . . rr_1vm5 1 139 2 OR . 1 1 11 11 GLU H H . . . 1 1 11 11 GLU HG3 H . . . . . 3.0 1.8 3.5 . . . . . A . 11 GLU H . . A . 11 GLU HG3 . . . 11 . HN . . . . . 11 . HG# . . rr_1vm5 1 140 1 OR . 1 1 11 11 GLU HA H . . . 1 1 11 11 GLU HG2 H . . . . . 3.0 1.8 3.3 . . . . . A . 11 GLU HA . . A . 11 GLU HG2 . . . 11 . HA . . . . . 11 . HG# . . rr_1vm5 1 140 2 OR . 1 1 11 11 GLU HG3 H . . . 1 1 11 11 GLU HA H . . . . . 3.0 1.8 3.3 . . . . . A . 11 GLU HG3 . . A . 11 GLU HA . . . 11 . HG# . . . . . 11 . HA . . rr_1vm5 1 141 1 OR . 1 1 11 11 GLU H H . . . 1 1 11 11 GLU HB2 H . . . . . 2.5 1.8 2.9 . . . . . A . 11 GLU H . . A . 11 GLU HB2 . . . 11 . HN . . . . . 11 . HB# . . rr_1vm5 1 141 2 OR . 1 1 11 11 GLU H H . . . 1 1 11 11 GLU HB3 H . . . . . 2.5 1.8 2.9 . . . . . A . 11 GLU H . . A . 11 GLU HB3 . . . 11 . HN . . . . . 11 . HB# . . rr_1vm5 1 142 1 OR . 1 1 12 12 SER H H . . . 1 1 11 11 GLU HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 12 SER H . . A . 11 GLU HB2 . . . 12 . HN . . . . . 11 . HB# . . rr_1vm5 1 142 2 OR . 1 1 12 12 SER H H . . . 1 1 11 11 GLU HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 12 SER H . . A . 11 GLU HB3 . . . 12 . HN . . . . . 11 . HB# . . rr_1vm5 1 143 1 . . 1 1 12 12 SER H H . . . 1 1 11 11 GLU HA H . . . . . 3.0 1.8 3.5 . . . . . A . 12 SER H . . A . 11 GLU HA . . . 12 . HN . . . . . 11 . HA . . rr_1vm5 1 144 1 . . 1 1 11 11 GLU H H . . . 1 1 12 12 SER H H . . . . . 2.5 1.8 2.9 . . . . . A . 11 GLU H . . A . 12 SER H . . . 11 . HN . . . . . 12 . HN . . rr_1vm5 1 145 1 . . 1 1 13 13 PHE H H . . . 1 1 11 11 GLU HA H . . . . . 4.0 1.8 5.0 . . . . . A . 13 PHE H . . A . 11 GLU HA . . . 13 . HN . . . . . 11 . HA . . rr_1vm5 1 146 1 OR . 1 1 12 12 SER H H . . . 1 1 12 12 SER HB2 H . . . . . 2.5 1.8 2.9 . . . . . A . 12 SER H . . A . 12 SER HB2 . . . 12 . HN . . . . . 12 . HB# . . rr_1vm5 1 146 2 OR . 1 1 12 12 SER H H . . . 1 1 12 12 SER HB3 H . . . . . 2.5 1.8 2.9 . . . . . A . 12 SER H . . A . 12 SER HB3 . . . 12 . HN . . . . . 12 . HB# . . rr_1vm5 1 147 1 . . 1 1 12 12 SER H H . . . 1 1 13 13 PHE QD H . . . . . 4.0 1.8 5.5 . . . . . A . 12 SER H . . A . 13 PHE QD . . . 12 . HN . . . . . 13 . HD# . . rr_1vm5 1 148 1 OR . 1 1 13 13 PHE H H . . . 1 1 12 12 SER HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 13 PHE H . . A . 12 SER HB2 . . . 13 . HN . . . . . 12 . HB# . . rr_1vm5 1 148 2 OR . 1 1 13 13 PHE H H . . . 1 1 12 12 SER HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 13 PHE H . . A . 12 SER HB3 . . . 13 . HN . . . . . 12 . HB# . . rr_1vm5 1 149 1 . . 1 1 13 13 PHE H H . . . 1 1 12 12 SER HA H . . . . . 3.0 1.8 3.5 . . . . . A . 13 PHE H . . A . 12 SER HA . . . 13 . HN . . . . . 12 . HA . . rr_1vm5 1 150 1 . . 1 1 12 12 SER H H . . . 1 1 13 13 PHE H H . . . . . 2.5 1.8 2.9 . . . . . A . 12 SER H . . A . 13 PHE H . . . 12 . HN . . . . . 13 . HN . . rr_1vm5 1 151 1 . . 1 1 13 13 PHE QD H . . . 1 1 13 13 PHE HA H . . . . . 3.0 1.8 3.8 . . . . . A . 13 PHE QD . . A . 13 PHE HA . . . 13 . HD# . . . . . 13 . HA . . rr_1vm5 1 152 1 OR . 1 1 13 13 PHE QD H . . . 1 1 13 13 PHE HB2 H . . . . . 3.0 1.8 3.8 . . . . . A . 13 PHE QD . . A . 13 PHE HB2 . . . 13 . HD# . . . . . 13 . HB# . . rr_1vm5 1 152 2 OR . 1 1 13 13 PHE QD H . . . 1 1 13 13 PHE HB3 H . . . . . 3.0 1.8 3.8 . . . . . A . 13 PHE QD . . A . 13 PHE HB3 . . . 13 . HD# . . . . . 13 . HB# . . rr_1vm5 1 153 1 OR . 1 1 13 13 PHE H H . . . 1 1 13 13 PHE HB2 H . . . . . 3.0 1.8 3.5 . . . . . A . 13 PHE H . . A . 13 PHE HB2 . . . 13 . HN . . . . . 13 . HB# . . rr_1vm5 1 153 2 OR . 1 1 13 13 PHE H H . . . 1 1 13 13 PHE HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 13 PHE H . . A . 13 PHE HB3 . . . 13 . HN . . . . . 13 . HB# . . rr_1vm5 1 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 ; pck2xplr.nawk Table; Input File: pep8_noe100.sort_class Date: Mon Jul 26 16:32:59 EDT 2004 @ BEGIN_XPLR_PCK_SUM LBL File-Name All Intra Seq. Short Long total 162 56 46 60 0 @ END_XPLR_PCK_SUM @ BEGIN_XPLR_NOE_FILE 1 ; 1 1 11 4 rr_1vm5 1 2 ; A.36 at 1.47e+05 2 ; 12 77 14 4 rr_1vm5 1 3 'A.145 at 5.37e+04' 15 77 15 97 rr_1vm5 1 4 'A.129 at 2.16e+05' 16 77 16 97 rr_1vm5 1 5 'A.155 at 3.85e+05' 17 77 17 97 rr_1vm5 1 6 ; A.154 at 4.17e+04 assign (resid 2 and name HB# ) (resid 3 and name HD# ) 4.0 2.2 2.0 ! A.95 at 7.37e+04 ; 18 77 19 98 rr_1vm5 1 7 'A.50 at 9.48e+04' 20 77 20 97 rr_1vm5 1 8 'A.1 at 1.96e+05' 21 77 21 97 rr_1vm5 1 9 'A.157 at 2.65e+05' 22 77 22 97 rr_1vm5 1 10 'A.75 at 4.48e+04' 23 77 23 97 rr_1vm5 1 11 'A.41 at 9.25e+04' 24 77 24 97 rr_1vm5 1 12 'A.76 at 1.45e+05' 25 77 25 97 rr_1vm5 1 13 ; A.44 at 3.36e+04 3 ; 26 77 28 4 rr_1vm5 1 14 'A.7 at 4.94e+04' 29 77 29 97 rr_1vm5 1 15 'A.97 at 8.68e+04' 30 77 30 97 rr_1vm5 1 16 'A.26 at 1.53e+05' 31 77 31 97 rr_1vm5 1 17 'A.144 at 3.29e+05' 32 77 32 97 rr_1vm5 1 18 'A.17 at 4.32e+04' 33 77 33 97 rr_1vm5 1 19 'A.27 at 5.82e+04' 34 77 34 97 rr_1vm5 1 20 'A.135 at 9.03e+04' 35 77 35 97 rr_1vm5 1 21 'A.5 at 3.35e+05' 36 77 36 97 rr_1vm5 1 22 'A.71 at 3.99e+04' 37 77 37 97 rr_1vm5 1 23 'A.96 at 4.97e+04' 38 77 38 97 rr_1vm5 1 24 'A.92 at 6.77e+04' 39 77 39 97 rr_1vm5 1 25 'A.28 at 7.29e+04' 40 77 40 97 rr_1vm5 1 26 'A.70 at 1.04e+05' 41 77 41 97 rr_1vm5 1 27 'A.93 at 1.09e+05' 42 77 42 97 rr_1vm5 1 28 'A.69 at 1.37e+05' 43 77 43 97 rr_1vm5 1 29 'A.30 at 3.27e+04' 44 77 44 97 rr_1vm5 1 30 4 50 77 52 4 rr_1vm5 1 31 'A.137 at 1.40e+05' 53 77 53 97 rr_1vm5 1 32 'A.176 at 5.00e+04' 54 77 54 97 rr_1vm5 1 33 'A.32 at 5.77e+04' 55 77 55 97 rr_1vm5 1 34 'A.139 at 8.27e+04' 56 77 56 97 rr_1vm5 1 35 'A.74 at 4.69e+04' 57 77 57 97 rr_1vm5 1 36 'A.73 at 6.85e+04' 58 77 58 97 rr_1vm5 1 37 ; A.33 at 6.08e+04 5 ; 59 77 61 4 rr_1vm5 1 38 'A.171 at 9.26e+04' 62 77 62 97 rr_1vm5 1 39 'A.121 at 1.18e+05' 63 77 63 97 rr_1vm5 1 40 'A.172 at 1.22e+05' 64 77 64 97 rr_1vm5 1 41 'A.104 at 1.31e+05' 65 77 65 97 rr_1vm5 1 42 'A.170 at 1.47e+05' 66 77 66 97 rr_1vm5 1 43 'A.119 at 1.74e+05' 67 77 67 97 rr_1vm5 1 44 'A.201 at 2.04e+05' 68 77 68 97 rr_1vm5 1 45 'A.173 at 2.84e+05' 69 77 69 97 rr_1vm5 1 46 'A.174 at 4.54e+05' 70 77 70 97 rr_1vm5 1 47 'A.120 at 4.72e+05' 71 77 71 97 rr_1vm5 1 48 'A.102 at 2.98e+04' 72 77 72 97 rr_1vm5 1 49 'A.175 at 4.93e+04' 73 77 73 97 rr_1vm5 1 50 'A.60 at 7.09e+04' 74 77 74 97 rr_1vm5 1 51 'A.179 at 2.15e+05' 75 77 75 97 rr_1vm5 1 52 'A.11 at 2.69e+05' 76 77 76 97 rr_1vm5 1 53 'A.105 at 5.83e+04' 77 77 77 97 rr_1vm5 1 54 'A.66 at 1.11e+05' 78 77 78 97 rr_1vm5 1 55 ; A.82 at 1.74e+05 6 ; 79 77 81 4 rr_1vm5 1 56 'A.187 at 1.08e+05' 82 77 82 97 rr_1vm5 1 57 'A.103 at 1.45e+05' 83 77 83 97 rr_1vm5 1 58 'A.186 at 1.57e+05' 84 77 84 97 rr_1vm5 1 59 'A.185 at 1.68e+05' 85 77 85 97 rr_1vm5 1 60 'A.114 at 2.53e+05' 86 77 86 97 rr_1vm5 1 61 'A.181 at 3.57e+05' 87 77 87 97 rr_1vm5 1 62 'A.180 at 3.79e+05' 88 77 88 97 rr_1vm5 1 63 'A.115 at 4.09e+05' 89 77 89 97 rr_1vm5 1 64 'A.101 at 3.76e+04' 90 77 90 97 rr_1vm5 1 65 'A.189 at 4.07e+04' 91 77 91 97 rr_1vm5 1 66 'A.56 at 8.22e+04' 92 77 92 97 rr_1vm5 1 67 'A.188 at 1.27e+05' 93 77 93 97 rr_1vm5 1 68 'A.122 at 1.30e+05' 94 77 94 97 rr_1vm5 1 69 'A.182 at 2.94e+05' 95 77 95 97 rr_1vm5 1 70 'A.68 at 3.53e+04' 96 77 96 97 rr_1vm5 1 71 'A.12 at 9.12e+04' 97 77 97 97 rr_1vm5 1 72 'A.86 at 3.95e+04' 98 77 98 97 rr_1vm5 1 73 'A.81 at 5.67e+04' 99 77 99 97 rr_1vm5 1 74 'A.57 at 1.22e+05' 100 77 100 97 rr_1vm5 1 75 'A.113 at 1.29e+05' 101 77 101 97 rr_1vm5 1 76 'A.79 at 2.02e+05' 102 77 102 97 rr_1vm5 1 77 'A.45 at 5.37e+04' 103 77 103 97 rr_1vm5 1 78 ; A.151 at 5.38e+04 7 ; 104 77 106 4 rr_1vm5 1 79 'A.193 at 4.65e+04' 107 77 107 97 rr_1vm5 1 80 'A.85 at 5.01e+04' 108 77 108 97 rr_1vm5 1 81 'A.194 at 5.55e+04' 109 77 109 97 rr_1vm5 1 82 'A.126 at 6.97e+04' 110 77 110 97 rr_1vm5 1 83 'A.183 at 2.42e+05' 111 77 111 97 rr_1vm5 1 84 'A.67 at 6.38e+04' 112 77 112 97 rr_1vm5 1 85 'A.165 at 1.03e+05' 113 77 113 97 rr_1vm5 1 86 'A.10 at 2.71e+05' 114 77 114 97 rr_1vm5 1 87 'A.19 at 7.16e+04' 115 77 115 97 rr_1vm5 1 88 'A.195 at 3.17e+04' 116 77 116 97 rr_1vm5 1 89 'A.47 at 1.03e+05' 117 77 117 97 rr_1vm5 1 90 'A.84 at 3.19e+05' 118 77 118 97 rr_1vm5 1 91 ; A.54 at 4.95e+04 8 ; 119 77 121 4 rr_1vm5 1 92 'A.168 at 3.72e+04' 122 77 122 97 rr_1vm5 1 93 'A.131 at 6.39e+04' 123 77 123 97 rr_1vm5 1 94 'A.130 at 6.75e+04' 124 77 124 97 rr_1vm5 1 95 'A.164 at 4.21e+05' 125 77 125 97 rr_1vm5 1 96 'A.40 at 9.14e+04' 126 77 126 97 rr_1vm5 1 97 'A.8 at 2.90e+05' 127 77 127 97 rr_1vm5 1 98 'A.6 at 4.68e+04' 128 77 128 97 rr_1vm5 1 99 'A.49 at 5.20e+04' 129 77 129 97 rr_1vm5 1 100 ; A.197 at 4.96e+04 9 ; 130 77 132 4 rr_1vm5 1 101 'A.118 at 1.14e+05' 133 77 133 97 rr_1vm5 1 102 'A.160 at 1.24e+05' 134 77 134 97 rr_1vm5 1 103 'A.158 at 1.41e+05' 135 77 135 97 rr_1vm5 1 104 'A.159 at 1.44e+05' 136 77 136 97 rr_1vm5 1 105 'A.83 at 1.65e+05' 137 77 137 97 rr_1vm5 1 106 'A.116 at 2.16e+05' 138 77 138 97 rr_1vm5 1 107 'A.163 at 3.53e+05' 139 77 139 97 rr_1vm5 1 108 'A.117 at 5.52e+05' 140 77 140 97 rr_1vm5 1 109 'A.162 at 6.35e+05' 141 77 141 97 rr_1vm5 1 110 'A.152 at 4.27e+04' 142 77 142 97 rr_1vm5 1 111 'A.148 at 4.71e+04' 143 77 143 97 rr_1vm5 1 112 'A.161 at 5.15e+04' 144 77 144 97 rr_1vm5 1 113 'A.46 at 7.44e+04' 145 77 145 97 rr_1vm5 1 114 'A.150 at 1.36e+05' 146 77 146 97 rr_1vm5 1 115 'A.147 at 3.16e+05' 147 77 147 97 rr_1vm5 1 116 'A.2 at 3.22e+05' 148 77 148 97 rr_1vm5 1 117 'A.59 at 3.50e+04' 149 77 149 97 rr_1vm5 1 118 'A.190 at 3.47e+04' 150 77 150 97 rr_1vm5 1 119 'A.24 at 4.74e+04' 152 77 152 97 rr_1vm5 1 120 'A.90 at 1.13e+05' 153 77 153 97 rr_1vm5 1 121 10 156 77 158 5 rr_1vm5 1 122 'A.149 at 7.19e+05' 159 77 159 97 rr_1vm5 1 123 'A.52 at 1.04e+05' 160 77 160 97 rr_1vm5 1 124 'A.3 at 3.40e+05' 161 77 161 97 rr_1vm5 1 125 'A.196 at 3.56e+05' 162 77 162 97 rr_1vm5 1 126 'A.4 at 3.68e+04' 163 77 163 97 rr_1vm5 1 127 'A.191 at 4.07e+04' 164 77 164 97 rr_1vm5 1 128 'A.42 at 5.62e+04' 165 77 165 97 rr_1vm5 1 129 'A.23 at 7.64e+04' 167 77 167 97 rr_1vm5 1 130 11 170 77 172 5 rr_1vm5 1 131 'A.141 at 6.82e+04' 173 77 173 97 rr_1vm5 1 132 'A.77 at 7.43e+04' 174 77 174 97 rr_1vm5 1 133 'A.143 at 2.32e+05' 175 77 175 97 rr_1vm5 1 134 'A.178 at 9.60e+04' 176 77 176 97 rr_1vm5 1 135 'A.38 at 1.21e+05' 177 77 177 97 rr_1vm5 1 136 'A.9 at 2.82e+05' 178 77 178 97 rr_1vm5 1 137 'A.43 at 3.97e+04' 179 77 179 97 rr_1vm5 1 138 'A.25 at 4.20e+04' 180 77 180 97 rr_1vm5 1 139 12 181 77 183 5 rr_1vm5 1 140 'A.62 at 1.73e+05' 184 77 184 97 rr_1vm5 1 141 'A.15 at 4.25e+04' 185 77 185 97 rr_1vm5 1 142 'A.63 at 5.67e+04' 186 77 186 97 rr_1vm5 1 143 'A.35 at 6.37e+04' 187 77 187 97 rr_1vm5 1 144 ; A.18 at 4.79e+05 13 ; 188 77 190 5 rr_1vm5 1 145 'A.100 at 4.22e+04' 191 77 191 97 rr_1vm5 1 146 'A.14 at 5.89e+04' 192 77 192 97 rr_1vm5 1 147 'A.22 at 6.66e+04' 193 77 193 97 rr_1vm5 1 148 'A.99 at 1.05e+05' 194 77 194 97 rr_1vm5 1 149 'A.132 at 1.25e+05' 195 77 195 97 rr_1vm5 1 150 'A.13 at 1.93e+05' 196 77 196 97 rr_1vm5 1 151 '@ END_XPLR_NOE_FILE' 197 77 199 21 rr_1vm5 1 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 2 138 1 "Not handling restraint 138, item 1, resonance(s) ' .13.H1' (nmrStar names) not linked" rr_1vm5 1 2 2 140 1 "Not handling restraint 140, item 1, resonance(s) ' .13.H2' (nmrStar names) not linked" rr_1vm5 1 3 2 148 1 "Not handling restraint 148, item 1, resonance(s) ' .13.H1' (nmrStar names) not linked" rr_1vm5 1 4 2 149 1 "Not handling restraint 149, item 1, resonance(s) ' .13.H2' (nmrStar names) not linked" rr_1vm5 1 5 2 155 1 "Not handling restraint 155, item 1, resonance(s) ' .13.H1' (nmrStar names) not linked" rr_1vm5 1 6 2 155 1 "Not handling restraint 155, item 1, resonance(s) ' .13.H1' (nmrStar names) not linked" rr_1vm5 1 7 2 156 1 "Not handling restraint 156, item 1, resonance(s) ' .13.H2' (nmrStar names) not linked" rr_1vm5 1 8 2 160 1 "Not handling restraint 160, item 1, resonance(s) ' .13.H1' (nmrStar names) not linked" rr_1vm5 1 9 2 161 1 "Not handling restraint 161, item 1, resonance(s) ' .13.H1' (nmrStar names) not linked" rr_1vm5 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Entry_ID rr_1vm5 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 3 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . rr_1vm5 1 stop_ loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Atom_type_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Atom_type_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Atom_type_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Atom_type_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.PDB_record_ID_1 _Torsion_angle_constraint.PDB_model_num_1 _Torsion_angle_constraint.PDB_strand_ID_1 _Torsion_angle_constraint.PDB_ins_code_1 _Torsion_angle_constraint.PDB_residue_no_1 _Torsion_angle_constraint.PDB_residue_name_1 _Torsion_angle_constraint.PDB_atom_name_1 _Torsion_angle_constraint.PDB_record_ID_2 _Torsion_angle_constraint.PDB_model_num_2 _Torsion_angle_constraint.PDB_strand_ID_2 _Torsion_angle_constraint.PDB_ins_code_2 _Torsion_angle_constraint.PDB_residue_no_2 _Torsion_angle_constraint.PDB_residue_name_2 _Torsion_angle_constraint.PDB_atom_name_2 _Torsion_angle_constraint.PDB_record_ID_3 _Torsion_angle_constraint.PDB_model_num_3 _Torsion_angle_constraint.PDB_strand_ID_3 _Torsion_angle_constraint.PDB_ins_code_3 _Torsion_angle_constraint.PDB_residue_no_3 _Torsion_angle_constraint.PDB_residue_name_3 _Torsion_angle_constraint.PDB_atom_name_3 _Torsion_angle_constraint.PDB_record_ID_4 _Torsion_angle_constraint.PDB_model_num_4 _Torsion_angle_constraint.PDB_strand_ID_4 _Torsion_angle_constraint.PDB_ins_code_4 _Torsion_angle_constraint.PDB_residue_no_4 _Torsion_angle_constraint.PDB_residue_name_4 _Torsion_angle_constraint.PDB_atom_name_4 _Torsion_angle_constraint.Auth_entity_assembly_ID_1 _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_chain_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_alt_ID_1 _Torsion_angle_constraint.Auth_atom_name_1 _Torsion_angle_constraint.Auth_entity_assembly_ID_2 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_chain_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_alt_ID_2 _Torsion_angle_constraint.Auth_atom_name_2 _Torsion_angle_constraint.Auth_entity_assembly_ID_3 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_chain_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_alt_ID_3 _Torsion_angle_constraint.Auth_atom_name_3 _Torsion_angle_constraint.Auth_entity_assembly_ID_4 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_chain_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Auth_alt_ID_4 _Torsion_angle_constraint.Auth_atom_name_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . 1 1 2 2 LEU C C . . 1 1 3 3 PHE N N . . 1 1 3 3 PHE CA C . . 1 1 3 3 PHE C C . -86.0 -46.0 . . . A . 2 LEU C . . A . 3 PHE N . . A . 3 PHE CA . . A . 3 PHE C . . . 2 . C . . . . . 3 . N . . . . . 3 . CA . . . . . 3 . C . . rr_1vm5 1 2 . . 1 1 3 3 PHE N N . . 1 1 3 3 PHE CA C . . 1 1 3 3 PHE C C . . 1 1 4 4 ASP N N . -68.0 -8.0 . . . A . 3 PHE N . . A . 3 PHE CA . . A . 3 PHE C . . A . 4 ASP N . . . 3 . N . . . . . 3 . CA . . . . . 3 . C . . . . . 4 . N . . rr_1vm5 1 3 . . 1 1 3 3 PHE C C . . 1 1 4 4 ASP N N . . 1 1 4 4 ASP CA C . . 1 1 4 4 ASP C C . -84.0 -44.0 . . . A . 3 PHE C . . A . 4 ASP N . . A . 4 ASP CA . . A . 4 ASP C . . . 3 . C . . . . . 4 . N . . . . . 4 . CA . . . . . 4 . C . . rr_1vm5 1 4 . . 1 1 4 4 ASP N N . . 1 1 4 4 ASP CA C . . 1 1 4 4 ASP C C . . 1 1 5 5 ILE N N . -58.0 -18.0 . . . A . 4 ASP N . . A . 4 ASP CA . . A . 4 ASP C . . A . 5 ILE N . . . 4 . N . . . . . 4 . CA . . . . . 4 . C . . . . . 5 . N . . rr_1vm5 1 5 . . 1 1 4 4 ASP C C . . 1 1 5 5 ILE N N . . 1 1 5 5 ILE CA C . . 1 1 5 5 ILE C C . -90.0 -50.0 . . . A . 4 ASP C . . A . 5 ILE N . . A . 5 ILE CA . . A . 5 ILE C . . . 4 . C . . . . . 5 . N . . . . . 5 . CA . . . . . 5 . C . . rr_1vm5 1 6 . . 1 1 5 5 ILE N N . . 1 1 5 5 ILE CA C . . 1 1 5 5 ILE C C . . 1 1 6 6 ILE N N . -57.0 -17.0 . . . A . 5 ILE N . . A . 5 ILE CA . . A . 5 ILE C . . A . 6 ILE N . . . 5 . N . . . . . 5 . CA . . . . . 5 . C . . . . . 6 . N . . rr_1vm5 1 7 . . 1 1 5 5 ILE C C . . 1 1 6 6 ILE N N . . 1 1 6 6 ILE CA C . . 1 1 6 6 ILE C C . -88.0 -48.0 . . . A . 5 ILE C . . A . 6 ILE N . . A . 6 ILE CA . . A . 6 ILE C . . . 5 . C . . . . . 6 . N . . . . . 6 . CA . . . . . 6 . C . . rr_1vm5 1 8 . . 1 1 6 6 ILE N N . . 1 1 6 6 ILE CA C . . 1 1 6 6 ILE C C . . 1 1 7 7 LYS N N . -56.0 -16.0 . . . A . 6 ILE N . . A . 6 ILE CA . . A . 6 ILE C . . A . 7 LYS N . . . 6 . N . . . . . 6 . CA . . . . . 6 . C . . . . . 7 . N . . rr_1vm5 1 9 . . 1 1 6 6 ILE C C . . 1 1 7 7 LYS N N . . 1 1 7 7 LYS CA C . . 1 1 7 7 LYS C C . -90.0 -50.0 . . . A . 6 ILE C . . A . 7 LYS N . . A . 7 LYS CA . . A . 7 LYS C . . . 6 . C . . . . . 7 . N . . . . . 7 . CA . . . . . 7 . C . . rr_1vm5 1 10 . . 1 1 7 7 LYS N N . . 1 1 7 7 LYS CA C . . 1 1 7 7 LYS C C . . 1 1 8 8 LYS N N . -54.0 -14.0 . . . A . 7 LYS N . . A . 7 LYS CA . . A . 7 LYS C . . A . 8 LYS N . . . 7 . N . . . . . 7 . CA . . . . . 7 . C . . . . . 8 . N . . rr_1vm5 1 11 . . 1 1 7 7 LYS C C . . 1 1 8 8 LYS N N . . 1 1 8 8 LYS CA C . . 1 1 8 8 LYS C C . -88.0 -48.0 . . . A . 7 LYS C . . A . 8 LYS N . . A . 8 LYS CA . . A . 8 LYS C . . . 7 . C . . . . . 8 . N . . . . . 8 . CA . . . . . 8 . C . . rr_1vm5 1 12 . . 1 1 8 8 LYS N N . . 1 1 8 8 LYS CA C . . 1 1 8 8 LYS C C . . 1 1 9 9 ILE N N . -59.0 -19.0 . . . A . 8 LYS N . . A . 8 LYS CA . . A . 8 LYS C . . A . 9 ILE N . . . 8 . N . . . . . 8 . CA . . . . . 8 . C . . . . . 9 . N . . rr_1vm5 1 13 . . 1 1 8 8 LYS C C . . 1 1 9 9 ILE N N . . 1 1 9 9 ILE CA C . . 1 1 9 9 ILE C C . -91.0 -51.0 . . . A . 8 LYS C . . A . 9 ILE N . . A . 9 ILE CA . . A . 9 ILE C . . . 8 . C . . . . . 9 . N . . . . . 9 . CA . . . . . 9 . C . . rr_1vm5 1 14 . . 1 1 9 9 ILE N N . . 1 1 9 9 ILE CA C . . 1 1 9 9 ILE C C . . 1 1 10 10 ALA N N . -53.0 -13.0 . . . A . 9 ILE N . . A . 9 ILE CA . . A . 9 ILE C . . A . 10 ALA N . . . 9 . N . . . . . 9 . CA . . . . . 9 . C . . . . . 10 . N . . rr_1vm5 1 15 . . 1 1 9 9 ILE C C . . 1 1 10 10 ALA N N . . 1 1 10 10 ALA CA C . . 1 1 10 10 ALA C C . -88.0 -48.0 . . . A . 9 ILE C . . A . 10 ALA N . . A . 10 ALA CA . . A . 10 ALA C . . . 9 . C . . . . . 10 . N . . . . . 10 . CA . . . . . 10 . C . . rr_1vm5 1 16 . . 1 1 10 10 ALA N N . . 1 1 10 10 ALA CA C . . 1 1 10 10 ALA C C . . 1 1 11 11 GLU N N . -59.0 -19.0 . . . A . 10 ALA N . . A . 10 ALA CA . . A . 10 ALA C . . A . 11 GLU N . . . 10 . N . . . . . 10 . CA . . . . . 10 . C . . . . . 11 . N . . rr_1vm5 1 17 . . 1 1 10 10 ALA C C . . 1 1 11 11 GLU N N . . 1 1 11 11 GLU CA C . . 1 1 11 11 GLU C C . -88.0 -48.0 . . . A . 10 ALA C . . A . 11 GLU N . . A . 11 GLU CA . . A . 11 GLU C . . . 10 . C . . . . . 11 . N . . . . . 11 . CA . . . . . 11 . C . . rr_1vm5 1 18 . . 1 1 11 11 GLU N N . . 1 1 11 11 GLU CA C . . 1 1 11 11 GLU C C . . 1 1 12 12 SER N N . -56.0 -16.0 . . . A . 11 GLU N . . A . 11 GLU CA . . A . 11 GLU C . . A . 12 SER N . . . 11 . N . . . . . 11 . CA . . . . . 11 . C . . . . . 12 . N . . rr_1vm5 1 19 . . 1 1 2 2 LEU N N . . 1 1 2 2 LEU CA C . . 1 1 2 2 LEU CB C . . 1 1 2 2 LEU CG C . 140.0 220.0 . . . A . 2 LEU N . . A . 2 LEU CA . . A . 2 LEU CB . . A . 2 LEU CG . . . 2 . N . . . . . 2 . CA . . . . . 2 . CB . . . . . 2 . CG . . rr_1vm5 1 20 . . 1 1 3 3 PHE N N . . 1 1 3 3 PHE CA C . . 1 1 3 3 PHE CB C . . 1 1 3 3 PHE CG C . 140.0 220.0 . . . A . 3 PHE N . . A . 3 PHE CA . . A . 3 PHE CB . . A . 3 PHE CG . . . 3 . N . . . . . 3 . CA . . . . . 3 . CB . . . . . 3 . CG . . rr_1vm5 1 21 . . 1 1 4 4 ASP N N . . 1 1 4 4 ASP CA C . . 1 1 4 4 ASP CB C . . 1 1 4 4 ASP CG C . -90.0 -30.0 . . . A . 4 ASP N . . A . 4 ASP CA . . A . 4 ASP CB . . A . 4 ASP CG . . . 4 . N . . . . . 4 . CA . . . . . 4 . CB . . . . . 4 . CG . . rr_1vm5 1 22 . . 1 1 11 11 GLU N N . . 1 1 11 11 GLU CA C . . 1 1 11 11 GLU CB C . . 1 1 11 11 GLU CG C . -90.0 -30.0 . . . A . 11 GLU N . . A . 11 GLU CA . . A . 11 GLU CB . . A . 11 GLU CG . . . 11 . N . . . . . 11 . CA . . . . . 11 . CB . . . . . 11 . CG . . rr_1vm5 1 23 . . 1 1 12 12 SER N N . . 1 1 12 12 SER CA C . . 1 1 12 12 SER CB C . . 1 1 12 12 SER OG O . 150.0 210.0 . . . A . 12 SER N . . A . 12 SER CA . . A . 12 SER CB . . A . 12 SER OG . . . 12 . N . . . . . 12 . CA . . . . . 12 . CB . . . . . 12 . OG . . rr_1vm5 1 24 . . 1 1 13 13 PHE N N . . 1 1 13 13 PHE CA C . . 1 1 13 13 PHE CB C . . 1 1 13 13 PHE CG C . 30.0 90.0 . . . A . 13 PHE N . . A . 13 PHE CA . . A . 13 PHE CB . . A . 13 PHE CG . . . 13 . N . . . . . 13 . CA . . . . . 13 . CB . . . . . 13 . CG . . rr_1vm5 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 ; ! phi and phi angles for pep8 April 27 2004 ! F3 ; 1 1 2 6 rr_1vm5 1 2 '! D4' 6 72 7 6 rr_1vm5 1 3 '! I5' 11 72 12 6 rr_1vm5 1 4 '! I6' 16 72 17 6 rr_1vm5 1 5 '! K7' 21 72 22 6 rr_1vm5 1 6 '! K8' 26 72 27 6 rr_1vm5 1 7 '! I9' 31 72 32 6 rr_1vm5 1 8 '! A10' 36 72 37 7 rr_1vm5 1 9 '! E11' 41 74 42 7 rr_1vm5 1 10 ; END chi angles ! chi 1 of 2 ; 46 74 50 14 rr_1vm5 1 11 3 54 1 54 3 rr_1vm5 1 12 '! chi1 of 4' 58 1 58 13 rr_1vm5 1 13 '! 11' 62 1 62 6 rr_1vm5 1 14 '! chi 0f 12' 66 1 66 13 rr_1vm5 1 15 '! chi1 of 13' 70 1 70 14 rr_1vm5 1 16 END 73 1 73 5 rr_1vm5 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_framecode MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID rr_1vm5 _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details 'Generated by Wattos' _Org_constr_file_comment.Comment '*HEADER ANTIBIOTIC 31-AUG-04 1VM5 *TITLE SOLUTION STRUCTURE OF MICELLE-BOUND AUREIN 1.2, AN *TITLE 2 ANTIMICROBIAL AND ANTICANCER PEPTIDE FROM AN AUSTRALIAN *TITLE 3 FROG *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: PEPTIDE A5 OR AUREIN 1.2; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: THE PEPTIDE WAS SYNTHESIZED USING THE SOLID- *SOURCE 4 PHASE METHOD AND PURIFIED BY HPLC. *KEYWDS AMPHIPATHIC HELIX, ANTIBACTERIAL PEPTIDE, ANTITUMOR PEPTIDE, *KEYWDS 2 MICELLE *EXPDTA NMR, 5 STRUCTURES *AUTHOR G.WANG, Y.LI, X.LI *REVDAT 1 07-DEC-04 1VM5 0' save_