data_c34319_6hvc ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c34319_6hvc _Entry.Title ; NMR structure of Urotensin Peptide Asp-c[Cys-Phe-(N-Me)Trp-Lys-Tyr-Cys]-Val in SDS solution ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-10-10 _Entry.Accession_date 2018-10-10 _Entry.Last_release_date 2019-01-09 _Entry.Original_release_date 2019-01-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' c34319_6hvc stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 D. Brancaccio D. . . . c34319_6hvc 2 A. Carotenuto A. . . . c34319_6hvc 3 F. Merlino F. . . . c34319_6hvc 4 E. Billard E. . . . c34319_6hvc 5 A. Yousif A. M. . . c34319_6hvc 6 S. 'Di Maro' S. . . . c34319_6hvc 7 L. Abate L. . . . c34319_6hvc 8 R. Bellavita R. . . . c34319_6hvc 9 R. "D'Emmanuele di Villa Bianca" R. . . . c34319_6hvc 10 P. Santicioli P. . . . c34319_6hvc 11 L. Marinelli L. . . . c34319_6hvc 12 E. Novellino E. . . . c34319_6hvc 13 T. Hebert T. E. . . c34319_6hvc 14 W. Lubell W. D. . . c34319_6hvc 15 D. Chatenet D. . . . c34319_6hvc 16 P. Grieco P. . . . c34319_6hvc stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'G protein-coupled receptor' . c34319_6hvc N-Methylation . c34319_6hvc 'NMR solutions' . c34319_6hvc 'PEPTIDE BINDING PROTEIN' . c34319_6hvc SDS . c34319_6hvc 'urotensin II receptor' . c34319_6hvc stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c34319_6hvc spectral_peak_list 1 c34319_6hvc stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 60 c34319_6hvc stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2019-01-11 . original BMRB . c34319_6hvc stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6HVB . c34319_6hvc PDB 6HVC . c34319_6hvc stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID c34319_6hvc _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1021/acs.jmedchem.8b01601 _Citation.PubMed_ID 30615452 _Citation.Full_citation . _Citation.Title ; Functional Selectivity Revealed by N-Methylation Scanning of Human Urotensin II and Related Peptides. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Med. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM JMCMAR _Citation.Journal_ISSN 1520-4804 _Citation.Journal_CSD 0151 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2019 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 F. Merlino F. . . . c34319_6hvc 1 2 E. Billard E. . . . c34319_6hvc 1 3 A. Yousif A. M. . . c34319_6hvc 1 4 S. 'Di Maro' S. . . . c34319_6hvc 1 5 D. Brancaccio D. . . . c34319_6hvc 1 6 L. Abate L. . . . c34319_6hvc 1 7 A. Carotenuto A. . . . c34319_6hvc 1 8 R. Bellavita R. . . . c34319_6hvc 1 9 R. "d'Emmanuele di Villa Bianca" R. . . . c34319_6hvc 1 10 P. Santicioli P. . . . c34319_6hvc 1 11 L. Marinelli L. . . . c34319_6hvc 1 12 E. Novellino E. . . . c34319_6hvc 1 13 T. Hebert T. . . . c34319_6hvc 1 14 W. Lubell W. D. . . c34319_6hvc 1 15 D. Chatenet D. . . . c34319_6hvc 1 16 P. Grieco P. . . . c34319_6hvc 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c34319_6hvc _Assembly.ID 1 _Assembly.Name Urotensin-2 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 entity_1 1 $entity_1 A A yes . . . . . . c34319_6hvc 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 2 2 SG . 1 . 1 CYS 7 7 SG . . . . . . . . . . . . c34319_6hvc 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID c34319_6hvc _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DCFXKYCV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer yes _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 8 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1078.284 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID UII na c34319_6hvc 1 'Urotensin II' na c34319_6hvc 1 stop_ 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 4 ASP . c34319_6hvc 1 2 5 CYS . c34319_6hvc 1 3 6 PHE . c34319_6hvc 1 4 7 E9M . c34319_6hvc 1 5 8 LYS . c34319_6hvc 1 6 9 TYR . c34319_6hvc 1 7 10 CYS . c34319_6hvc 1 8 11 VAL . c34319_6hvc 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 . ASP 1 1 c34319_6hvc 1 . CYS 2 2 c34319_6hvc 1 . PHE 3 3 c34319_6hvc 1 . E9M 4 4 c34319_6hvc 1 . LYS 5 5 c34319_6hvc 1 . TYR 6 6 c34319_6hvc 1 . CYS 7 7 c34319_6hvc 1 . VAL 8 8 c34319_6hvc 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID c34319_6hvc _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . c34319_6hvc 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID c34319_6hvc _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . c34319_6hvc 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_E9M _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_E9M _Chem_comp.Entry_ID c34319_6hvc _Chem_comp.ID E9M _Chem_comp.Provenance PDB _Chem_comp.Name N-methyl-L-tryptophan _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code E9M _Chem_comp.PDB_code E9M _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2018-12-18 _Chem_comp.Modified_date 2018-12-18 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code W _Chem_comp.Three_letter_code E9M _Chem_comp.Number_atoms_all 30 _Chem_comp.Number_atoms_nh 16 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C12H14N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3,(H,15,16)/t11-/m0/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID TRP _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C12 H14 N2 O2' _Chem_comp.Formula_weight 218.252 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 6BVW _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CNC(Cc1c[nH]c2c1cccc2)C(=O)O SMILES 'OpenEye OEToolkits' 1.7.6 c34319_6hvc E9M CN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 c34319_6hvc E9M CN[C@@H](Cc1c[nH]c2ccccc12)C(O)=O SMILES_CANONICAL CACTVS 3.385 c34319_6hvc E9M CN[CH](Cc1c[nH]c2ccccc12)C(O)=O SMILES CACTVS 3.385 c34319_6hvc E9M CZCIKBSVHDNIDH-NSHDSACASA-N InChIKey InChI 1.03 c34319_6hvc E9M InChI=1S/C12H14N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3,(H,15,16)/t11-/m0/s1 InChI InChI 1.03 c34319_6hvc E9M N(C)C(Cc1cnc2c1cccc2)C(=O)O SMILES ACDLabs 12.01 c34319_6hvc E9M stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 c34319_6hvc E9M N-methyl-L-tryptophan 'SYSTEMATIC NAME' ACDLabs 12.01 c34319_6hvc E9M stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID N N N N1 . N . . N 0 . . . 1 no no . . . . -4.254 . -3.072 . 3.441 . -1.332 1.190 -0.523 1 . c34319_6hvc E9M CA CA CA C1 . C . . S 0 . . . 1 no no . . . . -3.260 . -2.168 . 2.873 . -1.864 -0.147 -0.230 2 . c34319_6hvc E9M CG CG CG C2 . C . . N 0 . . . 1 yes no . . . . -3.958 . -0.716 . 4.823 . 0.370 -1.046 0.357 3 . c34319_6hvc E9M CD1 CD1 CD1 C3 . C . . N 0 . . . 1 yes no . . . . -4.434 . -1.417 . 5.895 . 0.830 -2.180 -0.196 4 . c34319_6hvc E9M CD2 CD2 CD2 C4 . C . . N 0 . . . 1 yes no . . . . -4.738 . 0.483 . 4.747 . 1.481 -0.091 0.363 5 . c34319_6hvc E9M CE2 CE2 CE2 C5 . C . . N 0 . . . 1 yes no . . . . -5.666 . 0.443 . 5.805 . 2.573 -0.762 -0.217 6 . c34319_6hvc E9M C C C C6 . C . . N 0 . . . 1 no no . . . . -2.036 . -2.941 . 2.392 . -3.294 -0.028 0.232 7 . c34319_6hvc E9M O O O O1 . O . . N 0 . . . 1 no no . . . . -1.277 . -3.483 . 3.197 . -3.677 0.992 0.754 8 . c34319_6hvc E9M CB CB CB C7 . C . . N 0 . . . 1 no no . . . . -2.844 . -1.121 . 3.905 . -1.025 -0.801 0.869 9 . c34319_6hvc E9M CE3 CE3 CE3 C8 . C . . N 0 . . . 1 yes no . . . . -4.739 . 1.587 . 3.890 . 1.625 1.228 0.798 10 . c34319_6hvc E9M NE1 NE1 NE1 N2 . N . . N 0 . . . 1 yes no . . . . -5.461 . -0.726 . 6.490 . 2.145 -2.029 -0.545 11 . c34319_6hvc E9M CZ3 CZ3 CZ3 C9 . C . . N 0 . . . 1 yes no . . . . -5.654 . 2.599 . 4.112 . 2.828 1.861 0.658 12 . c34319_6hvc E9M CZ2 CZ2 CZ2 C10 . C . . N 0 . . . 1 yes no . . . . -6.587 . 1.464 . 6.027 . 3.789 -0.098 -0.349 13 . c34319_6hvc E9M CH2 CH2 CH2 C11 . C . . N 0 . . . 1 yes no . . . . -6.566 . 2.533 . 5.172 . 3.909 1.203 0.086 14 . c34319_6hvc E9M CN2 CN2 CN2 C12 . C . . N 0 . . . 1 no no . . . . -3.809 . -4.218 . 4.243 . -1.731 1.634 -1.866 15 . c34319_6hvc E9M OXT OXT OXT O2 . O . . N 0 . . . 1 no yes . . . . -2.143 . -3.432 . 1.120 . -4.141 -1.056 0.064 16 . c34319_6hvc E9M H H H H1 . H . . N 0 . . . 1 no no . . . . -4.849 . -2.521 . 4.026 . -1.620 1.856 0.178 17 . c34319_6hvc E9M HA HA HA H3 . H . . N 0 . . . 1 no no . . . . -3.699 . -1.646 . 2.010 . -1.824 -0.760 -1.131 18 . c34319_6hvc E9M HD1 HD1 HD1 H4 . H . . N 0 . . . 1 no no . . . . -4.058 . -2.374 . 6.226 . 0.249 -3.078 -0.343 19 . c34319_6hvc E9M HB3 HB3 HB3 H5 . H . . N 0 . . . 1 no no . . . . -2.025 . -1.535 . 4.512 . -0.984 -0.140 1.735 20 . c34319_6hvc E9M HB2 HB2 HB2 H6 . H . . N 0 . . . 1 no no . . . . -2.489 . -0.227 . 3.371 . -1.479 -1.749 1.157 21 . c34319_6hvc E9M HE3 HE3 HE3 H7 . H . . N 0 . . . 1 no no . . . . -4.039 . 1.648 . 3.070 . 0.789 1.746 1.243 22 . c34319_6hvc E9M HE1 HE1 HE1 H8 . H . . N 0 . . . 1 no no . . . . -5.976 . -1.027 . 7.293 . 2.693 -2.712 -0.961 23 . c34319_6hvc E9M HZ3 HZ3 HZ3 H9 . H . . N 0 . . . 1 no no . . . . -5.666 . 3.456 . 3.456 . 2.939 2.881 0.995 24 . c34319_6hvc E9M HZ2 HZ2 HZ2 H10 . H . . N 0 . . . 1 no no . . . . -7.292 . 1.414 . 6.844 . 4.636 -0.601 -0.792 25 . c34319_6hvc E9M HH2 HH2 HH2 H11 . H . . N 0 . . . 1 no no . . . . -7.267 . 3.341 . 5.318 . 4.853 1.717 -0.018 26 . c34319_6hvc E9M HN3 HN3 HN3 H12 . H . . N 0 . . . 1 no no . . . . -4.685 . -4.787 . 4.588 . -1.397 2.659 -2.024 27 . c34319_6hvc E9M HN1 HN1 HN1 H13 . H . . N 0 . . . 1 no no . . . . -3.168 . -4.868 . 3.629 . -1.276 0.984 -2.613 28 . c34319_6hvc E9M HN2 HN2 HN2 H14 . H . . N 0 . . . 1 no no . . . . -3.240 . -3.858 . 5.113 . -2.816 1.587 -1.956 29 . c34319_6hvc E9M HXT HXT HXT H15 . H . . N 0 . . . 1 no no . . . . -1.572 . -4.185 . 1.022 . -5.048 -0.932 0.376 30 . c34319_6hvc E9M stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C CA no N 1 . c34319_6hvc E9M 2 . DOUB C O no N 2 . c34319_6hvc E9M 3 . SING CA N no N 3 . c34319_6hvc E9M 4 . SING CA CB no N 4 . c34319_6hvc E9M 5 . SING N CN2 no N 5 . c34319_6hvc E9M 6 . DOUB CE3 CZ3 yes N 6 . c34319_6hvc E9M 7 . SING CE3 CD2 yes N 7 . c34319_6hvc E9M 8 . SING CB CG no N 8 . c34319_6hvc E9M 9 . SING CZ3 CH2 yes N 9 . c34319_6hvc E9M 10 . SING CD2 CG yes N 10 . c34319_6hvc E9M 11 . DOUB CD2 CE2 yes N 11 . c34319_6hvc E9M 12 . DOUB CG CD1 yes N 12 . c34319_6hvc E9M 13 . DOUB CH2 CZ2 yes N 13 . c34319_6hvc E9M 14 . SING CE2 CZ2 yes N 14 . c34319_6hvc E9M 15 . SING CE2 NE1 yes N 15 . c34319_6hvc E9M 16 . SING CD1 NE1 yes N 16 . c34319_6hvc E9M 17 . SING C OXT no N 17 . c34319_6hvc E9M 18 . SING N H no N 18 . c34319_6hvc E9M 19 . SING CA HA no N 19 . c34319_6hvc E9M 20 . SING CD1 HD1 no N 20 . c34319_6hvc E9M 21 . SING CB HB3 no N 21 . c34319_6hvc E9M 22 . SING CB HB2 no N 22 . c34319_6hvc E9M 23 . SING CE3 HE3 no N 23 . c34319_6hvc E9M 24 . SING NE1 HE1 no N 24 . c34319_6hvc E9M 25 . SING CZ3 HZ3 no N 25 . c34319_6hvc E9M 26 . SING CZ2 HZ2 no N 26 . c34319_6hvc E9M 27 . SING CH2 HH2 no N 27 . c34319_6hvc E9M 28 . SING CN2 HN3 no N 28 . c34319_6hvc E9M 29 . SING CN2 HN1 no N 29 . c34319_6hvc E9M 30 . SING CN2 HN2 no N 30 . c34319_6hvc E9M 31 . SING OXT HXT no N 31 . c34319_6hvc E9M stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c34319_6hvc _Sample.ID 1 _Sample.Type micelle _Sample.Sub_type . _Sample.Details '2.0 mM 1H peptide, 200 mM [U-99% 2H] SDS, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 peptide 'natural abundance' . . 1 $entity_1 . . 2.0 . . mM . . . . c34319_6hvc 1 2 SDS '[U-99% 2H]' . . . . . . 200 . . mM . . . . c34319_6hvc 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID c34319_6hvc _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.0 . mM c34319_6hvc 1 pH 5.5 . pH c34319_6hvc 1 pressure 1 . atm c34319_6hvc 1 temperature 298 . K c34319_6hvc 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID c34319_6hvc _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . c34319_6hvc 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement c34319_6hvc 1 'structure calculation' c34319_6hvc 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID c34319_6hvc _Software.ID 2 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . c34319_6hvc 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' c34319_6hvc 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID c34319_6hvc _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID c34319_6hvc _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian INOVA . 700 . . . c34319_6hvc 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID c34319_6hvc _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c34319_6hvc 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c34319_6hvc 1 3 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . c34319_6hvc 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID c34319_6hvc _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 TSP 'methyl protons' . . . . ppm 0.0 external direct 1.0 . . . . . c34319_6hvc 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID c34319_6hvc _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . c34319_6hvc 1 2 '2D 1H-1H TOCSY' . . . c34319_6hvc 1 3 '2D DQF-COSY' . . . c34319_6hvc 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASP HA H 1 4.466 0.002 . . . . . . A 4 ASP HA . c34319_6hvc 1 2 . 1 1 1 1 ASP HB2 H 1 2.833 0.006 . . . . . . A 4 ASP HB2 . c34319_6hvc 1 3 . 1 1 1 1 ASP HB3 H 1 2.833 0.006 . . . . . . A 4 ASP HB3 . c34319_6hvc 1 4 . 1 1 2 2 CYS H H 1 8.561 0.001 . . . . . . A 5 CYS H . c34319_6hvc 1 5 . 1 1 2 2 CYS HA H 1 5.581 0.005 . . . . . . A 5 CYS HA . c34319_6hvc 1 6 . 1 1 2 2 CYS HB2 H 1 2.896 0.004 . . . . . . A 5 CYS HB2 . c34319_6hvc 1 7 . 1 1 2 2 CYS HB3 H 1 2.983 0.005 . . . . . . A 5 CYS HB3 . c34319_6hvc 1 8 . 1 1 3 3 PHE H H 1 9.172 0.000 . . . . . . A 6 PHE H . c34319_6hvc 1 9 . 1 1 3 3 PHE HA H 1 5.114 0.000 . . . . . . A 6 PHE HA . c34319_6hvc 1 10 . 1 1 3 3 PHE HB2 H 1 3.056 0.000 . . . . . . A 6 PHE HB2 . c34319_6hvc 1 11 . 1 1 3 3 PHE HB3 H 1 3.149 0.002 . . . . . . A 6 PHE HB3 . c34319_6hvc 1 12 . 1 1 3 3 PHE HD1 H 1 7.263 0.002 . . . . . . A 6 PHE HD1 . c34319_6hvc 1 13 . 1 1 3 3 PHE HD2 H 1 7.263 0.002 . . . . . . A 6 PHE HD2 . c34319_6hvc 1 14 . 1 1 3 3 PHE HE1 H 1 7.193 0.000 . . . . . . A 6 PHE HE1 . c34319_6hvc 1 15 . 1 1 3 3 PHE HE2 H 1 7.193 0.000 . . . . . . A 6 PHE HE2 . c34319_6hvc 1 16 . 1 1 4 4 E9M H1 H 1 2.914 0.000 . . . . . . A 7 E9M H1 . c34319_6hvc 1 17 . 1 1 4 4 E9M HA H 1 4.181 0.001 . . . . . . A 7 E9M HA . c34319_6hvc 1 18 . 1 1 4 4 E9M HB2 H 1 3.748 0.002 . . . . . . A 7 E9M HB2 . c34319_6hvc 1 19 . 1 1 4 4 E9M HB3 H 1 3.070 0.004 . . . . . . A 7 E9M HB3 . c34319_6hvc 1 20 . 1 1 4 4 E9M HD1 H 1 7.337 0.000 . . . . . . A 7 E9M HD1 . c34319_6hvc 1 21 . 1 1 4 4 E9M HE1 H 1 10.248 0.001 . . . . . . A 7 E9M HE1 . c34319_6hvc 1 22 . 1 1 4 4 E9M HE3 H 1 7.603 0.001 . . . . . . A 7 E9M HE3 . c34319_6hvc 1 23 . 1 1 4 4 E9M 2HN H 1 2.914 0.000 . . . . . . A 7 E9M 2HN . c34319_6hvc 1 24 . 1 1 4 4 E9M 3HN H 1 2.914 0.000 . . . . . . A 7 E9M 3HN . c34319_6hvc 1 25 . 1 1 4 4 E9M HZ2 H 1 7.570 0.003 . . . . . . A 7 E9M HZ2 . c34319_6hvc 1 26 . 1 1 4 4 E9M HZ3 H 1 7.192 0.001 . . . . . . A 7 E9M HZ3 . c34319_6hvc 1 27 . 1 1 5 5 LYS H H 1 6.274 0.003 . . . . . . A 8 LYS H . c34319_6hvc 1 28 . 1 1 5 5 LYS HA H 1 4.046 0.002 . . . . . . A 8 LYS HA . c34319_6hvc 1 29 . 1 1 5 5 LYS HB2 H 1 0.965 0.001 . . . . . . A 8 LYS HB2 . c34319_6hvc 1 30 . 1 1 5 5 LYS HB3 H 1 1.161 0.001 . . . . . . A 8 LYS HB3 . c34319_6hvc 1 31 . 1 1 5 5 LYS HG2 H 1 -0.249 0.000 . . . . . . A 8 LYS HG2 . c34319_6hvc 1 32 . 1 1 5 5 LYS HG3 H 1 0.039 0.002 . . . . . . A 8 LYS HG3 . c34319_6hvc 1 33 . 1 1 5 5 LYS HD2 H 1 1.029 0.000 . . . . . . A 8 LYS HD2 . c34319_6hvc 1 34 . 1 1 5 5 LYS HD3 H 1 1.029 0.000 . . . . . . A 8 LYS HD3 . c34319_6hvc 1 35 . 1 1 5 5 LYS HE2 H 1 2.419 0.004 . . . . . . A 8 LYS HE2 . c34319_6hvc 1 36 . 1 1 5 5 LYS HE3 H 1 2.511 0.004 . . . . . . A 8 LYS HE3 . c34319_6hvc 1 37 . 1 1 5 5 LYS HZ1 H 1 7.249 0.005 . . . . . . A 8 LYS HZ1 . c34319_6hvc 1 38 . 1 1 5 5 LYS HZ2 H 1 7.249 0.005 . . . . . . A 8 LYS HZ2 . c34319_6hvc 1 39 . 1 1 5 5 LYS HZ3 H 1 7.249 0.005 . . . . . . A 8 LYS HZ3 . c34319_6hvc 1 40 . 1 1 6 6 TYR H H 1 8.182 0.000 . . . . . . A 9 TYR H . c34319_6hvc 1 41 . 1 1 6 6 TYR HA H 1 4.788 0.000 . . . . . . A 9 TYR HA . c34319_6hvc 1 42 . 1 1 6 6 TYR HB2 H 1 2.919 0.002 . . . . . . A 9 TYR HB2 . c34319_6hvc 1 43 . 1 1 6 6 TYR HB3 H 1 3.071 0.002 . . . . . . A 9 TYR HB3 . c34319_6hvc 1 44 . 1 1 6 6 TYR HD1 H 1 7.135 0.002 . . . . . . A 9 TYR HD1 . c34319_6hvc 1 45 . 1 1 6 6 TYR HD2 H 1 7.135 0.002 . . . . . . A 9 TYR HD2 . c34319_6hvc 1 46 . 1 1 6 6 TYR HE1 H 1 6.685 0.001 . . . . . . A 9 TYR HE1 . c34319_6hvc 1 47 . 1 1 6 6 TYR HE2 H 1 6.685 0.001 . . . . . . A 9 TYR HE2 . c34319_6hvc 1 48 . 1 1 7 7 CYS H H 1 8.411 0.000 . . . . . . A 10 CYS H . c34319_6hvc 1 49 . 1 1 7 7 CYS HA H 1 5.357 0.002 . . . . . . A 10 CYS HA . c34319_6hvc 1 50 . 1 1 7 7 CYS HB2 H 1 2.932 0.003 . . . . . . A 10 CYS HB2 . c34319_6hvc 1 51 . 1 1 7 7 CYS HB3 H 1 2.932 0.003 . . . . . . A 10 CYS HB3 . c34319_6hvc 1 52 . 1 1 8 8 VAL H H 1 8.391 0.000 . . . . . . A 11 VAL H . c34319_6hvc 1 53 . 1 1 8 8 VAL HA H 1 4.453 0.004 . . . . . . A 11 VAL HA . c34319_6hvc 1 54 . 1 1 8 8 VAL HB H 1 2.273 0.000 . . . . . . A 11 VAL HB . c34319_6hvc 1 55 . 1 1 8 8 VAL HG11 H 1 1.011 0.004 . . . . . . A 11 VAL HG11 . c34319_6hvc 1 56 . 1 1 8 8 VAL HG12 H 1 1.011 0.004 . . . . . . A 11 VAL HG12 . c34319_6hvc 1 57 . 1 1 8 8 VAL HG13 H 1 1.011 0.004 . . . . . . A 11 VAL HG13 . c34319_6hvc 1 58 . 1 1 8 8 VAL HG21 H 1 1.011 0.004 . . . . . . A 11 VAL HG21 . c34319_6hvc 1 59 . 1 1 8 8 VAL HG22 H 1 1.011 0.004 . . . . . . A 11 VAL HG22 . c34319_6hvc 1 60 . 1 1 8 8 VAL HG23 H 1 1.011 0.004 . . . . . . A 11 VAL HG23 . c34319_6hvc 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID c34319_6hvc _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 2 # INAME 1 H1 # INAME 2 H1 2 7.337 10.247 1 U 1.304e+06 1.72e+03 a 0 57 61 0 3 7.567 10.248 1 U 5.907e+05 1.27e+03 a 0 64 61 0 4 10.249 10.248 1 U 1.707e+07 4.00e+03 a 0 61 61 0 5 10.249 7.566 1 U 7.328e+05 9.79e+02 a 0 61 64 0 6 10.245 7.337 1 U 1.600e+06 1.71e+03 a 0 61 57 0 7 7.337 7.337 1 U 2.691e+07 3.69e+04 a 0 57 57 0 9 4.044 6.274 1 U 9.755e+05 1.41e+03 a 0 70 68 0 11 6.274 4.044 1 U 8.147e+05 1.46e+03 a 0 68 70 0 14 1.160 6.274 1 U 6.423e+05 1.99e+03 a 0 73 68 0 15 1.159 1.162 1 U 7.967e+05 1.36e+06 a 0 73 73 0 16 6.274 1.161 1 U 3.584e+05 2.19e+03 a 0 68 73 0 17 0.966 6.274 1 U 7.487e+05 2.17e+03 a 0 72 68 0 18 0.965 0.965 1 U 8.483e+06 2.56e+05 a 0 72 72 0 19 6.274 0.965 1 U 3.814e+05 1.89e+03 a 0 68 72 0 20 1.159 0.964 1 U 5.038e+06 8.77e+03 a 0 73 72 0 21 0.965 1.158 1 U 5.568e+06 4.42e+03 a 0 72 73 0 22 0.038 6.274 1 U 1.079e+06 1.84e+03 a 0 77 68 0 23 -0.249 6.274 1 U 5.514e+05 1.81e+03 a 0 76 68 0 25 -0.249 -0.249 1 U 1.446e+07 2.14e+03 a 0 76 76 0 26 6.274 0.040 1 U 5.917e+05 2.00e+03 a 0 68 77 0 27 6.274 -0.249 1 U 2.783e+05 2.08e+03 a 0 68 76 0 29 0.041 -0.249 1 U 4.258e+06 1.99e+03 a 0 77 76 0 30 -0.249 0.043 1 U 4.374e+06 2.07e+03 a 0 76 77 0 37 5.114 9.172 1 U 4.773e+05 1.63e+03 a 0 23 21 0 38 9.172 9.172 1 U 1.589e+07 3.87e+03 a 0 21 21 0 40 9.172 5.114 1 U 4.463e+05 2.05e+03 a 0 21 23 0 41 5.114 5.114 1 U 1.755e+07 4.34e+03 a 0 23 23 0 42 3.150 9.172 1 U 6.755e+05 3.77e+03 a 0 26 21 0 43 3.151 3.149 1 U 1.708e+07 2.57e+04 a 0 26 26 0 44 9.172 3.148 1 U 6.007e+05 1.89e+03 a 0 21 26 0 45 3.056 9.172 1 U 1.160e+06 5.72e+03 a 0 25 21 0 46 3.056 3.056 1 U 2.842e+07 1.47e+05 a 0 25 25 0 47 9.172 3.056 1 U 6.523e+05 1.98e+03 a 0 21 25 0 48 3.056 3.149 1 U 9.907e+06 5.57e+04 a 0 25 26 0 49 3.151 3.056 1 U 9.088e+06 6.00e+04 a 0 26 25 0 51 5.114 7.263 1 U 6.398e+05 1.35e+03 a 0 23 40 0 52 7.265 7.264 1 U 4.531e+06 9.21e+05 a 0 40 40 0 53 7.263 5.114 1 U 4.323e+05 1.40e+03 a 0 40 23 0 56 3.154 7.263 1 U 1.214e+06 6.93e+03 a 0 26 40 0 57 3.056 7.263 1 U 1.696e+06 6.22e+03 a 0 25 40 0 58 7.266 3.148 1 U 8.393e+05 2.14e+03 a 0 40 26 0 59 7.266 3.056 1 U 1.226e+06 3.41e+03 a 0 40 25 0 60 4.181 7.337 1 U 1.318e+06 1.08e+03 a 0 46 57 0 62 4.181 6.274 1 U 3.140e+05 1.88e+03 a 0 46 68 0 69 3.071 7.337 1 U 3.559e+05 1.52e+03 a 0 48 57 0 70 2.914 7.337 1 U 2.048e+05 1.77e+03 a 0 44 57 0 74 4.181 4.183 1 U 1.756e+07 9.85e+03 a 0 46 46 0 76 3.067 3.067 1 U 1.489e+07 2.22e+05 a 0 48 48 0 77 2.914 2.914 1 U 3.357e+06 2.26e+06 a 0 44 44 0 78 3.067 2.914 1 U 3.259e+06 5.66e+04 a 0 0 44 0 79 2.914 3.067 1 U 8.174e+06 1.57e+04 a 0 0 48 0 80 3.075 6.274 1 U 1.060e+06 1.87e+03 a 0 48 68 0 81 2.914 6.274 1 U 1.162e+05 2.14e+03 a 0 44 68 0 87 4.788 8.182 1 U 5.653e+05 1.70e+03 a 0 96 94 0 88 3.070 8.182 1 U 9.161e+05 2.11e+03 a 0 99 94 0 90 4.788 7.134 1 U 1.321e+06 1.28e+03 a 0 96 114 0 91 3.070 7.134 1 U 1.837e+06 2.12e+03 a 0 99 114 0 92 2.917 7.135 1 U 1.903e+06 1.74e+03 a 0 98 114 0 94 4.788 6.686 1 U 7.103e+04 4.79e+03 a 0 96 113 0 95 2.920 6.686 1 U 1.267e+05 2.02e+03 a 0 98 113 0 96 3.072 6.686 1 U 1.596e+05 2.04e+03 a 0 99 113 0 98 5.356 8.411 1 U 3.486e+05 1.86e+04 a 0 119 117 0 101 4.044 8.182 1 U 4.669e+05 1.64e+03 a 0 70 94 0 102 4.788 8.411 1 U 2.494e+06 1.76e+03 a 0 96 117 0 103 4.455 8.391 1 U 5.313e+05 1.66e+03 a 0 128 126 0 104 1.011 8.391 1 U 1.494e+06 1.57e+03 a 0 141 126 0 105 5.579 8.560 1 U 4.130e+05 1.90e+03 a 0 14 12 0 106 2.985 8.562 1 U 9.388e+05 3.45e+03 a 0 17 12 0 107 2.894 8.560 1 U 4.167e+05 9.97e+03 a 0 16 12 0 108 5.579 9.172 1 U 2.611e+06 1.61e+03 a 0 14 21 0 110 4.464 8.562 1 U 2.076e+06 1.66e+03 a 0 4 12 0 111 2.825 8.562 1 U 1.027e+06 4.69e+03 a 0 8 12 0 113 5.359 9.172 1 U 4.674e+05 1.89e+03 a 0 119 21 0 114 2.273 8.391 1 U 2.514e+05 1.86e+03 a 0 130 126 0 116 2.935 8.411 1 U 2.954e+06 3.14e+03 a 0 123 117 0 118 2.919 8.182 1 U 1.526e+06 2.10e+03 a 0 98 94 0 119 3.070 8.411 1 U 6.788e+05 3.10e+03 a 0 99 117 0 124 2.893 9.172 1 U 1.430e+06 4.02e+03 a 0 16 21 0 125 8.182 8.182 1 U 1.887e+07 3.95e+03 a 0 94 94 0 126 4.788 4.788 1 U 5.466e+05 1.02e+04 a 0 96 96 0 127 6.267 8.182 1 U 8.656e+05 1.61e+03 a 0 68 94 0 128 8.182 9.172 1 U 2.721e+05 1.79e+03 a 0 94 21 0 129 8.560 8.560 1 U 1.826e+07 3.46e+03 a 0 12 12 0 131 8.411 8.411 1 U 1.813e+07 1.03e+05 a 0 117 117 0 132 5.354 5.358 1 U 1.170e+07 2.77e+03 a 0 119 119 0 133 5.356 5.579 1 U 2.671e+06 1.79e+03 a 0 119 14 0 135 8.391 8.391 1 U 3.031e+07 4.42e+04 a 0 126 126 0 136 4.456 4.456 1 U 2.329e+07 1.44e+05 a 0 128 128 0 137 6.277 7.337 1 U 3.848e+05 1.52e+03 a 0 68 57 0 138 7.136 7.135 1 U 4.508e+07 8.07e+04 a 0 114 114 0 140 6.685 6.687 1 U 4.545e+07 1.94e+04 a 0 113 113 0 141 6.274 7.138 1 U 1.958e+05 1.78e+03 a 0 68 114 0 142 6.686 7.135 1 U 4.201e+06 2.48e+03 a 0 113 114 0 146 2.828 2.827 1 U 5.687e+07 3.84e+04 a 0 8 8 0 147 4.465 4.465 1 U 2.186e+07 1.52e+05 a 0 4 4 0 148 2.512 7.252 1 U 5.724e+05 3.27e+03 a 0 85 91 0 149 2.418 7.252 1 U 7.073e+05 3.92e+03 a 0 84 91 0 150 2.514 2.513 1 U 2.656e+07 2.89e+04 a 0 85 85 0 151 2.416 2.418 1 U 2.561e+07 3.71e+04 a 0 84 84 0 152 7.253 7.253 1 U 2.296e+06 8.54e+05 a 0 91 91 0 153 2.838 4.466 1 U 9.311e+05 4.46e+03 a 0 8 4 0 154 4.467 2.838 1 U 1.735e+06 1.78e+03 a 0 4 8 0 155 2.987 2.987 1 U 1.476e+07 9.57e+04 a 0 17 17 0 156 2.894 2.895 1 U 1.081e+07 3.54e+05 a 0 16 16 0 157 2.894 2.988 1 U 5.636e+06 7.19e+04 a 0 16 17 0 158 2.987 2.895 1 U 7.282e+06 8.52e+04 a 0 17 16 0 159 3.069 4.181 1 U 1.719e+06 2.88e+03 a 0 48 46 0 161 4.181 3.076 1 U 1.164e+06 1.65e+03 a 0 46 48 0 162 2.914 4.181 1 U 2.089e+06 1.63e+03 a 0 44 46 0 163 4.181 2.914 1 U 2.359e+06 1.02e+03 a 0 46 44 0 164 2.416 2.513 1 U 7.574e+06 6.60e+04 a 0 84 85 0 165 2.514 2.418 1 U 7.742e+06 6.44e+04 a 0 85 84 0 167 3.073 3.072 1 U 1.538e+07 1.21e+05 a 0 99 99 0 168 2.919 2.918 1 U 1.239e+06 1.81e+06 a 0 98 98 0 169 2.919 3.069 1 U 8.174e+06 1.57e+04 a 0 98 99 0 170 3.073 2.919 1 U 5.670e+06 5.05e+04 a 0 99 98 0 171 2.935 2.935 1 U 3.432e+07 3.51e+05 a 0 123 123 0 172 2.273 2.273 1 U 2.970e+07 1.76e+04 a 0 130 130 0 173 1.011 1.014 1 U 6.244e+06 1.64e+06 a 0 141 141 0 174 1.011 4.452 1 U 7.564e+05 1.68e+03 a 0 141 128 0 175 4.456 1.002 1 U 1.062e+06 1.19e+03 a 0 128 141 0 176 2.273 4.452 1 U 8.249e+05 1.30e+03 a 0 130 128 0 177 4.453 2.273 1 U 1.013e+06 1.50e+03 a 0 128 130 0 178 7.136 8.182 1 U 6.043e+05 1.26e+03 a 0 114 94 0 179 8.182 7.136 1 U 6.629e+05 1.48e+03 a 0 94 114 0 180 7.132 8.411 1 U 1.433e+05 2.09e+03 a 0 114 117 0 181 2.513 6.684 1 U 1.633e+05 1.95e+03 a 0 85 113 0 182 2.418 6.683 1 U 9.873e+04 2.33e+03 a 0 84 113 0 183 0.998 6.684 1 U 2.807e+05 2.11e+03 a 0 0 113 0 184 0.040 6.684 1 U 1.422e+05 1.82e+03 a 0 77 113 0 185 -0.249 6.683 1 U 1.271e+05 2.20e+03 a 0 76 113 0 190 7.568 7.573 1 U 2.564e+07 1.43e+05 a 0 64 64 0 191 2.974 5.579 1 U 7.929e+05 6.24e+03 a 0 17 14 0 192 2.894 5.579 1 U 1.500e+06 5.40e+03 a 0 16 14 0 193 5.580 2.975 1 U 9.582e+05 3.95e+03 a 0 14 17 0 194 5.580 2.893 1 U 1.483e+06 3.33e+03 a 0 14 16 0 195 2.927 5.357 1 U 2.191e+06 2.42e+03 a 0 123 119 0 196 5.358 2.927 1 U 2.421e+06 2.01e+03 a 0 119 123 0 197 3.147 5.114 1 U 1.019e+06 3.88e+03 a 0 26 23 0 198 3.056 5.114 1 U 1.071e+06 5.84e+03 a 0 25 23 0 199 2.914 5.114 1 U 2.784e+06 1.96e+03 a 0 0 23 0 200 5.114 3.146 1 U 9.613e+05 1.96e+03 a 0 23 26 0 201 5.114 3.056 1 U 8.504e+05 1.84e+03 a 0 23 25 0 202 5.114 2.914 1 U 3.363e+06 1.08e+03 a 0 23 0 0 203 1.011 5.358 1 U 1.695e+05 2.15e+03 a 0 141 119 0 204 5.358 1.010 1 U 1.592e+05 1.89e+03 a 0 119 141 0 205 1.163 4.044 1 U 1.221e+06 1.88e+03 a 0 73 70 0 206 0.967 4.044 1 U 1.121e+06 1.76e+03 a 0 72 70 0 207 4.050 1.161 1 U 9.354e+05 1.83e+03 a 0 70 73 0 208 4.050 0.966 1 U 9.112e+05 2.01e+03 a 0 70 72 0 209 0.037 4.046 1 U 3.225e+05 2.08e+03 a 0 77 70 0 210 4.047 0.036 1 U 1.752e+05 2.17e+03 a 0 70 77 0 211 -0.249 4.047 1 U 1.885e+05 2.01e+03 a 0 76 70 0 212 4.048 -0.249 1 U 7.703e+04 2.19e+03 a 0 70 76 0 213 1.010 2.933 1 U 2.009e+05 2.13e+03 a 0 141 123 0 214 2.933 1.010 1 U 2.085e+05 3.24e+03 a 0 123 141 0 215 1.011 2.843 1 U 3.502e+05 1.91e+03 a 0 141 8 0 216 2.836 1.014 1 U 3.535e+05 2.54e+03 a 0 8 141 0 217 1.008 2.273 1 U 2.689e+06 1.92e+03 a 0 141 130 0 218 2.273 1.006 1 U 2.575e+06 5.05e+03 a 0 130 141 0 225 0.041 0.040 1 U 1.124e+07 1.90e+04 a 0 77 77 0 226 0.036 2.509 1 U 1.171e+05 2.41e+03 a 0 77 85 0 227 2.508 0.034 1 U 2.188e+04 2.51e+03 a 0 85 77 0 228 2.426 0.035 1 U 1.302e+05 2.21e+03 a 0 84 77 0 229 0.036 2.425 1 U 2.010e+05 2.08e+03 a 0 77 84 0 230 -0.249 2.422 1 U 1.432e+05 2.11e+03 a 0 76 84 0 231 -0.249 2.515 1 U 2.331e+05 2.41e+03 a 0 76 85 0 232 2.422 -0.249 1 U 3.785e+04 2.52e+03 a 0 84 76 0 234 2.514 -0.249 1 U 1.663e+05 2.34e+03 a 0 85 76 0 235 0.041 1.160 1 U 4.581e+05 1.98e+03 a 0 77 73 0 236 -0.249 1.163 1 U 2.791e+05 2.27e+03 a 0 76 73 0 237 1.161 0.038 1 U 4.969e+05 2.34e+03 a 0 73 77 0 238 1.161 -0.249 1 U 3.492e+05 2.29e+03 a 0 73 76 0 241 0.042 0.966 1 U 5.846e+04 4.65e+03 a 0 77 72 0 242 0.966 0.042 1 U 2.267e+04 4.42e+03 a 0 72 77 0 243 -0.249 0.965 1 U 9.351e+05 4.18e+03 a 0 76 72 0 244 0.965 -0.249 1 U 5.736e+05 6.03e+03 a 0 72 76 0 245 8.391 1.020 1 U 1.214e+06 1.34e+03 a 0 126 141 0 246 8.391 2.273 1 U 1.741e+05 2.07e+03 a 0 126 130 0 249 7.241 2.414 1 U 6.925e+05 2.62e+03 a 0 91 84 0 250 7.241 2.500 1 U 6.701e+05 2.63e+03 a 0 91 85 0 251 4.788 3.069 1 U 1.377e+06 1.90e+03 a 0 96 99 0 252 4.788 2.920 1 U 9.882e+05 1.85e+03 a 0 96 98 0 253 6.274 3.069 1 U 8.971e+05 1.83e+03 a 0 68 48 0 254 6.275 4.181 1 U 4.045e+05 1.75e+03 a 0 68 46 0 255 9.172 2.906 1 U 1.110e+06 2.68e+03 a 0 21 16 0 256 8.562 2.830 1 U 7.462e+05 2.47e+03 a 0 12 8 0 257 8.561 2.900 1 U 5.765e+05 2.79e+03 a 0 12 16 0 258 8.561 2.980 1 U 6.559e+05 1.98e+03 a 0 12 17 0 259 8.562 4.471 1 U 1.208e+06 1.51e+03 a 0 12 4 0 261 8.411 2.932 1 U 2.528e+06 2.32e+03 a 0 117 123 0 263 9.172 8.182 1 U 2.980e+05 1.78e+03 a 0 21 94 0 264 7.259 9.172 1 U 1.400e+05 1.85e+03 a 0 40 21 0 266 9.172 7.258 1 U 1.994e+05 2.42e+03 a 0 21 40 0 267 8.411 7.132 1 U 1.980e+05 1.96e+03 a 0 117 114 0 268 9.172 5.579 1 U 2.036e+06 1.84e+03 a 0 21 14 0 269 9.172 5.361 1 U 3.234e+05 2.01e+03 a 0 21 119 0 271 7.260 7.573 1 U 2.202e+06 7.48e+03 a 0 0 64 0 272 7.567 7.261 1 U 1.895e+06 2.78e+03 a 0 64 65 0 273 7.604 7.603 1 U 2.209e+07 1.78e+05 a 0 58 58 0 274 7.192 7.192 1 U 5.456e+07 1.63e+05 a 0 62 62 0 275 7.192 7.604 1 U 2.273e+06 6.92e+03 a 0 62 58 0 276 7.604 7.192 1 U 1.999e+06 2.88e+03 a 0 58 62 0 277 6.686 7.604 1 U 1.847e+05 1.87e+03 a 0 113 58 0 278 7.605 6.686 1 U 1.905e+05 1.64e+03 a 0 58 113 0 279 6.279 7.603 1 U 4.369e+05 1.72e+03 a 0 68 58 0 280 7.603 6.279 1 U 2.904e+05 1.88e+03 a 0 58 68 0 281 4.181 7.603 1 U 2.113e+05 1.65e+03 a 0 46 58 0 282 7.603 4.181 1 U 1.748e+05 2.07e+03 a 0 58 46 0 283 3.065 7.603 1 U 9.418e+05 1.93e+03 a 0 48 58 0 284 2.914 7.600 1 U 1.200e+05 2.04e+03 a 0 44 58 0 285 7.604 3.067 1 U 5.243e+05 1.82e+03 a 0 58 48 0 286 7.602 2.914 1 U 8.993e+04 2.23e+03 a 0 58 44 0 287 8.182 6.266 1 U 7.042e+05 1.83e+03 a 0 94 68 0 288 7.132 6.272 1 U 1.501e+05 2.09e+03 a 0 114 68 0 289 7.337 6.277 1 U 2.020e+05 2.16e+03 a 0 57 68 0 290 7.137 6.686 1 U 4.565e+06 2.94e+03 a 0 114 113 0 291 8.411 5.357 1 U 4.796e+05 1.87e+04 a 0 117 119 0 292 8.558 5.586 1 U 3.016e+05 2.08e+03 a 0 12 14 0 293 8.391 4.444 1 U 2.967e+05 2.11e+03 a 0 126 128 0 296 8.411 3.070 1 U 4.983e+05 2.04e+03 a 0 117 99 0 297 8.182 3.068 1 U 7.318e+05 1.87e+03 a 0 94 99 0 299 8.182 2.919 1 U 1.132e+06 1.99e+03 a 0 94 98 0 301 7.257 1.017 1 U 8.716e+05 2.16e+03 a 0 0 141 0 302 7.136 3.077 1 U 1.349e+06 2.25e+03 a 0 114 99 0 303 7.135 2.924 1 U 1.312e+06 2.09e+03 a 0 114 98 0 304 5.579 8.391 1 U 5.255e+05 1.70e+03 a 0 14 126 0 305 8.391 5.599 1 U 1.809e+05 5.08e+03 a 0 126 14 0 306 2.416 7.571 1 U 9.518e+04 2.30e+03 a 0 84 64 0 308 -0.249 7.135 1 U 1.126e+05 2.08e+03 a 0 76 114 0 309 4.181 3.747 1 U 8.633e+05 1.89e+03 a 0 46 49 0 311 3.748 4.181 1 U 1.183e+06 1.62e+03 a 0 49 46 0 313 3.750 3.747 1 U 9.007e+06 8.08e+03 a 0 49 49 0 314 5.580 5.580 1 U 1.123e+07 1.97e+03 a 0 14 14 0 315 5.580 5.357 1 U 2.663e+06 1.83e+03 a 0 14 119 0 316 3.748 7.136 1 U 1.962e+05 2.10e+03 a 0 49 114 0 317 3.749 7.260 1 U 2.624e+05 2.00e+03 a 0 49 0 0 318 3.748 7.337 1 U 3.464e+05 1.16e+03 a 0 49 57 0 319 7.337 3.748 1 U 1.672e+05 2.42e+03 a 0 57 49 0 320 3.749 7.603 1 U 9.577e+05 1.68e+03 a 0 49 58 0 321 7.603 3.748 1 U 5.381e+05 1.76e+03 a 0 58 49 0 323 6.275 6.281 1 U 1.283e+07 5.20e+05 a 0 68 68 0 324 3.750 6.275 1 U 1.844e+06 1.84e+03 a 0 49 68 0 325 6.275 3.749 1 U 1.533e+06 1.83e+03 a 0 68 49 0 326 3.075 3.751 1 U 4.778e+06 2.30e+03 a 0 48 49 0 327 3.751 3.074 1 U 5.216e+06 2.24e+03 a 0 49 48 0 328 2.914 3.743 1 U 2.328e+05 2.42e+03 a 0 0 49 0 329 3.744 2.914 1 U 3.981e+05 2.03e+03 a 0 49 0 0 330 4.045 4.044 1 U 2.095e+07 2.03e+04 a 0 70 70 0 331 0.040 7.135 1 U 6.850e+04 2.26e+03 a 0 77 114 0 332 0.040 7.337 1 U 5.650e+04 2.10e+03 a 0 77 57 0 333 -0.249 7.337 1 U 5.571e+04 2.05e+03 a 0 76 57 0 334 5.580 7.264 1 U 6.868e+04 2.56e+03 a 0 14 40 0 336 2.918 7.260 1 U 6.543e+05 3.14e+03 a 0 0 0 0 337 2.830 7.261 1 U 2.252e+05 3.62e+03 a 0 8 40 0 339 3.050 7.194 1 U 1.786e+05 2.33e+03 a 0 0 62 0 340 6.270 2.921 1 U 1.005e+05 2.22e+03 a 0 68 0 0 341 3.749 8.183 1 U 2.159e+05 2.17e+03 a 0 49 94 0 342 0.040 7.607 1 U 0.000e+00 0.00e+00 - 0 77 58 0 343 0.040 8.183 1 U 0.000e+00 0.00e+00 - 0 77 94 0 344 -0.249 8.183 1 U 0.000e+00 0.00e+00 - 0 76 94 0 345 -0.249 10.250 1 U 0.000e+00 0.00e+00 - 0 76 61 0 346 1.029 4.044 1 U 0.000e+00 0.00e+00 - 0 82 70 0 348 1.029 7.576 1 U 0.000e+00 0.00e+00 - 0 82 64 0 349 1.029 10.249 1 U 0.000e+00 0.00e+00 - 0 82 61 0 350 1.011 7.193 1 U 0.000e+00 0.00e+00 - 0 141 41 0 351 1.029 7.253 1 U 0.000e+00 0.00e+00 - 0 82 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN . . 14 ppm . . . 4.76 . . c34319_6hvc 1 2 . . H 1 HN . . 14 ppm . . . 4.76 . . c34319_6hvc 1 stop_ 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 c34319_6hvc _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 10 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 c34319_6hvc _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 . . . c34319_6hvc 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 . . . . c34319_6hvc 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 ASP C C -3.441 -5.425 -2.505 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c34319_6hvc 1 . 1 . 2 . 1 1 1 ASP CA C -3.879 -6.891 -2.815 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c34319_6hvc 1 . 1 . 3 . 1 1 1 ASP CB C -5.413 -7.094 -2.759 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c34319_6hvc 1 . 1 . 4 . 1 1 1 ASP CG C -5.884 -8.459 -3.265 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c34319_6hvc 1 . 1 . 5 . 1 1 1 ASP H1 H -2.190 -7.866 -1.900 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H1 . . . . . . . . . c34319_6hvc 1 . 1 . 6 . 1 1 1 ASP H2 H -3.381 -7.597 -0.898 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H2 . . . . . . . . . c34319_6hvc 1 . 1 . 7 . 1 1 1 ASP H3 H -3.649 -8.798 -2.023 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H3 . . . . . . . . . c34319_6hvc 1 . 1 . 8 . 1 1 1 ASP HA H -3.540 -7.148 -3.839 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c34319_6hvc 1 . 1 . 9 . 1 1 1 ASP HB2 H -5.800 -6.947 -1.732 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c34319_6hvc 1 . 1 . 10 . 1 1 1 ASP HB3 H -5.913 -6.320 -3.368 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c34319_6hvc 1 . 1 . 11 . 1 1 1 ASP N N -3.247 -7.856 -1.885 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c34319_6hvc 1 . 1 . 12 . 1 1 1 ASP O O -3.336 -5.029 -1.339 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c34319_6hvc 1 . 1 . 13 . 1 1 1 ASP OD1 O -6.745 -8.510 -4.165 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c34319_6hvc 1 . 1 . 14 . 1 1 1 ASP OD2 O -5.362 -9.482 -2.768 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c34319_6hvc 1 . 1 . 15 . 1 1 2 CYS C C -3.262 -2.149 -2.813 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c34319_6hvc 1 . 1 . 16 . 1 1 2 CYS CA C -2.412 -3.340 -3.364 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c34319_6hvc 1 . 1 . 17 . 1 1 2 CYS CB C -1.691 -3.003 -4.686 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c34319_6hvc 1 . 1 . 18 . 1 1 2 CYS H H -3.332 -5.003 -4.477 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c34319_6hvc 1 . 1 . 19 . 1 1 2 CYS HA H -1.612 -3.551 -2.635 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c34319_6hvc 1 . 1 . 20 . 1 1 2 CYS HB2 H -1.152 -3.881 -5.093 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c34319_6hvc 1 . 1 . 21 . 1 1 2 CYS HB3 H -2.410 -2.683 -5.461 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c34319_6hvc 1 . 1 . 22 . 1 1 2 CYS N N -3.147 -4.618 -3.545 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c34319_6hvc 1 . 1 . 23 . 1 1 2 CYS O O -4.299 -1.778 -3.370 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c34319_6hvc 1 . 1 . 24 . 1 1 2 CYS SG S -0.479 -1.689 -4.404 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c34319_6hvc 1 . 1 . 25 . 1 1 3 PHE C C -2.578 0.956 -1.866 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . c34319_6hvc 1 . 1 . 26 . 1 1 3 PHE CA C -3.307 -0.256 -1.189 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . c34319_6hvc 1 . 1 . 27 . 1 1 3 PHE CB C -3.121 -0.363 0.353 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . c34319_6hvc 1 . 1 . 28 . 1 1 3 PHE CD1 C -2.780 1.600 1.934 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . c34319_6hvc 1 . 1 . 29 . 1 1 3 PHE CD2 C -5.037 1.040 1.281 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . c34319_6hvc 1 . 1 . 30 . 1 1 3 PHE CE1 C -3.266 2.647 2.713 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . c34319_6hvc 1 . 1 . 31 . 1 1 3 PHE CE2 C -5.521 2.088 2.061 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . c34319_6hvc 1 . 1 . 32 . 1 1 3 PHE CG C -3.662 0.794 1.206 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . c34319_6hvc 1 . 1 . 33 . 1 1 3 PHE CZ C -4.635 2.893 2.773 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . c34319_6hvc 1 . 1 . 34 . 1 1 3 PHE H H -1.785 -1.739 -1.510 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . c34319_6hvc 1 . 1 . 35 . 1 1 3 PHE HA H -4.393 -0.188 -1.403 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . c34319_6hvc 1 . 1 . 36 . 1 1 3 PHE HB2 H -3.606 -1.291 0.717 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . c34319_6hvc 1 . 1 . 37 . 1 1 3 PHE HB3 H -2.049 -0.527 0.579 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . c34319_6hvc 1 . 1 . 38 . 1 1 3 PHE HD1 H -1.716 1.419 1.901 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . c34319_6hvc 1 . 1 . 39 . 1 1 3 PHE HD2 H -5.736 0.414 0.743 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . c34319_6hvc 1 . 1 . 40 . 1 1 3 PHE HE1 H -2.578 3.261 3.277 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . c34319_6hvc 1 . 1 . 41 . 1 1 3 PHE HE2 H -6.585 2.267 2.121 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . c34319_6hvc 1 . 1 . 42 . 1 1 3 PHE HZ H -5.013 3.701 3.383 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . c34319_6hvc 1 . 1 . 43 . 1 1 3 PHE N N -2.772 -1.531 -1.724 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . c34319_6hvc 1 . 1 . 44 . 1 1 3 PHE O O -1.462 0.831 -2.385 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . c34319_6hvc 1 . 1 . 45 . 1 1 4 TRP C C -1.235 3.682 -2.715 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c34319_6hvc 1 . 1 . 46 . 1 1 4 TRP CA C -2.763 3.322 -2.663 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c34319_6hvc 1 . 1 . 47 . 1 1 4 TRP CB C -3.706 4.514 -2.331 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c34319_6hvc 1 . 1 . 48 . 1 1 4 TRP CD1 C -3.086 7.060 -2.146 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c34319_6hvc 1 . 1 . 49 . 1 1 4 TRP CD2 C -3.135 6.271 -4.217 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c34319_6hvc 1 . 1 . 50 . 1 1 4 TRP CE2 C -2.805 7.647 -4.248 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c34319_6hvc 1 . 1 . 51 . 1 1 4 TRP CE3 C -3.133 5.505 -5.403 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c34319_6hvc 1 . 1 . 52 . 1 1 4 TRP CG C -3.342 5.900 -2.903 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c34319_6hvc 1 . 1 . 53 . 1 1 4 TRP CH2 C -2.566 7.518 -6.653 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c34319_6hvc 1 . 1 . 54 . 1 1 4 TRP CZ2 C -2.521 8.280 -5.482 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c34319_6hvc 1 . 1 . 55 . 1 1 4 TRP CZ3 C -2.863 6.148 -6.614 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c34319_6hvc 1 . 1 . 56 . 1 1 4 TRP H H -4.108 2.141 -1.360 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c34319_6hvc 1 . 1 . 57 . 1 1 4 TRP HA H -2.959 3.023 -3.701 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c34319_6hvc 1 . 1 . 58 . 1 1 4 TRP HB2 H -4.728 4.259 -2.663 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c34319_6hvc 1 . 1 . 59 . 1 1 4 TRP HB3 H -3.788 4.604 -1.235 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c34319_6hvc 1 . 1 . 60 . 1 1 4 TRP HD1 H -3.089 7.081 -1.065 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c34319_6hvc 1 . 1 . 61 . 1 1 4 TRP HE1 H -2.561 9.129 -2.680 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c34319_6hvc 1 . 1 . 62 . 1 1 4 TRP HE3 H -3.272 4.437 -5.332 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c34319_6hvc 1 . 1 . 63 . 1 1 4 TRP HH2 H -2.368 7.993 -7.604 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c34319_6hvc 1 . 1 . 64 . 1 1 4 TRP HZ2 H -2.275 9.331 -5.517 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c34319_6hvc 1 . 1 . 65 . 1 1 4 TRP HZ3 H -2.875 5.577 -7.533 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c34319_6hvc 1 . 1 . 66 . 1 1 4 TRP N N -3.222 2.138 -1.875 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c34319_6hvc 1 . 1 . 67 . 1 1 4 TRP NE1 N -2.757 8.162 -2.964 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c34319_6hvc 1 . 1 . 68 . 1 1 4 TRP O O -0.747 3.762 -3.852 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c34319_6hvc 1 . 1 . 69 . 1 1 5 . C C 1.717 2.631 -1.035 . . . 1.0 . . . . . . . . . . . . A . 8 NMK C . . . . . . . . . c34319_6hvc 1 . 1 . 70 . 1 1 5 . CA C 1.045 3.851 -1.765 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CA . . . . . . . . . c34319_6hvc 1 . 1 . 71 . 1 1 5 . CB C 1.665 5.248 -1.445 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CB . . . . . . . . . c34319_6hvc 1 . 1 . 72 . 1 1 5 . CD C 2.022 6.395 -3.752 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CD . . . . . . . . . c34319_6hvc 1 . 1 . 73 . 1 1 5 . CE C 1.183 6.848 -4.961 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CE . . . . . . . . . c34319_6hvc 1 . 1 . 74 . 1 1 5 . CG C 1.265 6.402 -2.399 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CG . . . . . . . . . c34319_6hvc 1 . 1 . 75 . 1 1 5 . CN C -1.062 4.126 -0.278 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CN . . . . . . . . . c34319_6hvc 1 . 1 . 76 . 1 1 5 . HA H 1.300 3.666 -2.823 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HA . . . . . . . . . c34319_6hvc 1 . 1 . 77 . 1 1 5 . HB2 H 1.390 5.529 -0.411 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HB2 . . . . . . . . . c34319_6hvc 1 . 1 . 78 . 1 1 5 . HB3 H 2.767 5.169 -1.422 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HB3 . . . . . . . . . c34319_6hvc 1 . 1 . 79 . 1 1 5 . HD2 H 2.893 7.072 -3.654 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HD2 . . . . . . . . . c34319_6hvc 1 . 1 . 80 . 1 1 5 . HD3 H 2.487 5.410 -3.956 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HD3 . . . . . . . . . c34319_6hvc 1 . 1 . 81 . 1 1 5 . HE2 H 0.536 7.708 -4.685 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HE2 . . . . . . . . . c34319_6hvc 1 . 1 . 82 . 1 1 5 . HE3 H 1.847 7.227 -5.763 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HE3 . . . . . . . . . c34319_6hvc 1 . 1 . 83 . 1 1 5 . HG2 H 0.167 6.394 -2.542 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HG2 . . . . . . . . . c34319_6hvc 1 . 1 . 84 . 1 1 5 . HG3 H 1.451 7.366 -1.886 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HG3 . . . . . . . . . c34319_6hvc 1 . 1 . 85 . 1 1 5 . HM1 H -1.606 5.089 -0.249 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HM1 . . . . . . . . . c34319_6hvc 1 . 1 . 86 . 1 1 5 . HM2 H -1.769 3.328 0.001 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HM2 . . . . . . . . . c34319_6hvc 1 . 1 . 87 . 1 1 5 . HM3 H -0.304 4.163 0.525 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HM3 . . . . . . . . . c34319_6hvc 1 . 1 . 88 . 1 1 5 . HZ1 H -0.031 5.137 -4.719 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HZ1 . . . . . . . . . c34319_6hvc 1 . 1 . 89 . 1 1 5 . HZ2 H -0.437 6.035 -6.038 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HZ2 . . . . . . . . . c34319_6hvc 1 . 1 . 90 . 1 1 5 . HZ3 H 0.911 5.074 -6.055 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HZ3 . . . . . . . . . c34319_6hvc 1 . 1 . 91 . 1 1 5 . N N -0.454 3.900 -1.618 . . . 1.0 . . . . . . . . . . . . A . 8 NMK N . . . . . . . . . c34319_6hvc 1 . 1 . 92 . 1 1 5 . NZ N 0.368 5.726 -5.478 . . . 1.0 . . . . . . . . . . . . A . 8 NMK NZ . . . . . . . . . c34319_6hvc 1 . 1 . 93 . 1 1 5 . O O 2.791 2.783 -0.444 . . . 1.0 . . . . . . . . . . . . A . 8 NMK O . . . . . . . . . c34319_6hvc 1 . 1 . 94 . 1 1 6 TYR C C 1.112 -1.096 -1.020 . . . 1.0 . . . . . . . . . . . . A . 9 TYR C . . . . . . . . . c34319_6hvc 1 . 1 . 95 . 1 1 6 TYR CA C 1.682 0.216 -0.393 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CA . . . . . . . . . c34319_6hvc 1 . 1 . 96 . 1 1 6 TYR CB C 1.406 0.310 1.142 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CB . . . . . . . . . c34319_6hvc 1 . 1 . 97 . 1 1 6 TYR CD1 C 3.538 -0.390 2.342 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CD1 . . . . . . . . . c34319_6hvc 1 . 1 . 98 . 1 1 6 TYR CD2 C 1.631 -1.869 2.446 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CD2 . . . . . . . . . c34319_6hvc 1 . 1 . 99 . 1 1 6 TYR CE1 C 4.275 -1.287 3.113 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CE1 . . . . . . . . . c34319_6hvc 1 . 1 . 100 . 1 1 6 TYR CE2 C 2.369 -2.763 3.220 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CE2 . . . . . . . . . c34319_6hvc 1 . 1 . 101 . 1 1 6 TYR CG C 2.211 -0.676 2.002 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CG . . . . . . . . . c34319_6hvc 1 . 1 . 102 . 1 1 6 TYR CZ C 3.691 -2.472 3.549 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CZ . . . . . . . . . c34319_6hvc 1 . 1 . 103 . 1 1 6 TYR H H 0.199 1.390 -1.568 . . . 1.0 . . . . . . . . . . . . A . 9 TYR H . . . . . . . . . c34319_6hvc 1 . 1 . 104 . 1 1 6 TYR HA H 2.782 0.220 -0.533 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HA . . . . . . . . . c34319_6hvc 1 . 1 . 105 . 1 1 6 TYR HB2 H 1.628 1.332 1.503 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HB2 . . . . . . . . . c34319_6hvc 1 . 1 . 106 . 1 1 6 TYR HB3 H 0.322 0.197 1.333 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HB3 . . . . . . . . . c34319_6hvc 1 . 1 . 107 . 1 1 6 TYR HD1 H 4.004 0.527 2.006 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HD1 . . . . . . . . . c34319_6hvc 1 . 1 . 108 . 1 1 6 TYR HD2 H 0.610 -2.108 2.185 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HD2 . . . . . . . . . c34319_6hvc 1 . 1 . 109 . 1 1 6 TYR HE1 H 5.300 -1.068 3.372 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HE1 . . . . . . . . . c34319_6hvc 1 . 1 . 110 . 1 1 6 TYR HE2 H 1.912 -3.680 3.558 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HE2 . . . . . . . . . c34319_6hvc 1 . 1 . 111 . 1 1 6 TYR HH H 3.886 -4.128 4.477 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HH . . . . . . . . . c34319_6hvc 1 . 1 . 112 . 1 1 6 TYR N N 1.121 1.413 -1.085 . . . 1.0 . . . . . . . . . . . . A . 9 TYR N . . . . . . . . . c34319_6hvc 1 . 1 . 113 . 1 1 6 TYR O O -0.053 -1.440 -0.800 . . . 1.0 . . . . . . . . . . . . A . 9 TYR O . . . . . . . . . c34319_6hvc 1 . 1 . 114 . 1 1 6 TYR OH O 4.422 -3.352 4.302 . . . 1.0 . . . . . . . . . . . . A . 9 TYR OH . . . . . . . . . c34319_6hvc 1 . 1 . 115 . 1 1 7 CYS C C 1.711 -4.363 -1.371 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c34319_6hvc 1 . 1 . 116 . 1 1 7 CYS CA C 1.501 -3.158 -2.345 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c34319_6hvc 1 . 1 . 117 . 1 1 7 CYS CB C 2.151 -3.343 -3.729 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c34319_6hvc 1 . 1 . 118 . 1 1 7 CYS H H 2.894 -1.517 -1.861 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c34319_6hvc 1 . 1 . 119 . 1 1 7 CYS HA H 0.426 -3.101 -2.563 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c34319_6hvc 1 . 1 . 120 . 1 1 7 CYS HB2 H 3.242 -3.164 -3.708 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c34319_6hvc 1 . 1 . 121 . 1 1 7 CYS HB3 H 2.028 -4.389 -4.070 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c34319_6hvc 1 . 1 . 122 . 1 1 7 CYS N N 1.930 -1.853 -1.775 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c34319_6hvc 1 . 1 . 123 . 1 1 7 CYS O O 2.839 -4.694 -0.997 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c34319_6hvc 1 . 1 . 124 . 1 1 7 CYS SG S 1.359 -2.285 -4.974 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c34319_6hvc 1 . 1 . 125 . 1 1 8 VAL C C -0.579 -7.126 -0.507 . . . 1.0 . . . . . . . . . . . . A . 11 VAL C . . . . . . . . . c34319_6hvc 1 . 1 . 126 . 1 1 8 VAL CA C 0.595 -6.188 -0.070 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CA . . . . . . . . . c34319_6hvc 1 . 1 . 127 . 1 1 8 VAL CB C 0.655 -5.730 1.435 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CB . . . . . . . . . c34319_6hvc 1 . 1 . 128 . 1 1 8 VAL CG1 C -0.559 -4.908 1.941 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CG1 . . . . . . . . . c34319_6hvc 1 . 1 . 129 . 1 1 8 VAL CG2 C 0.908 -6.901 2.407 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CG2 . . . . . . . . . c34319_6hvc 1 . 1 . 130 . 1 1 8 VAL H H -0.287 -4.677 -1.369 . . . 1.0 . . . . . . . . . . . . A . 11 VAL H . . . . . . . . . c34319_6hvc 1 . 1 . 131 . 1 1 8 VAL HA H 1.505 -6.786 -0.270 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HA . . . . . . . . . c34319_6hvc 1 . 1 . 132 . 1 1 8 VAL HB H 1.541 -5.071 1.519 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HB . . . . . . . . . c34319_6hvc 1 . 1 . 133 . 1 1 8 VAL HG11 H -0.419 -4.546 2.975 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG11 . . . . . . . . . c34319_6hvc 1 . 1 . 134 . 1 1 8 VAL HG12 H -0.739 -4.018 1.309 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG12 . . . . . . . . . c34319_6hvc 1 . 1 . 135 . 1 1 8 VAL HG13 H -1.492 -5.500 1.926 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG13 . . . . . . . . . c34319_6hvc 1 . 1 . 136 . 1 1 8 VAL HG21 H 1.816 -7.469 2.135 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG21 . . . . . . . . . c34319_6hvc 1 . 1 . 137 . 1 1 8 VAL HG22 H 1.042 -6.554 3.449 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG22 . . . . . . . . . c34319_6hvc 1 . 1 . 138 . 1 1 8 VAL HG23 H 0.063 -7.617 2.406 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG23 . . . . . . . . . c34319_6hvc 1 . 1 . 139 . 1 1 8 VAL N N 0.596 -5.002 -0.970 . . . 1.0 . . . . . . . . . . . . A . 11 VAL N . . . . . . . . . c34319_6hvc 1 . 1 . 140 . 1 1 8 VAL O O -0.595 -7.595 -1.672 . . . 1.0 . . . . . . . . . . . . A . 11 VAL O . . . . . . . . . c34319_6hvc 1 . 1 . 141 . 1 1 8 VAL OXT O -1.517 -7.394 0.278 . . . 1.0 . . . . . . . . . . . . A . 11 VAL OXT . . . . . . . . . c34319_6hvc 1 . 2 . 142 . 1 1 1 ASP C C -2.549 -5.811 -3.602 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c34319_6hvc 1 . 2 . 143 . 1 1 1 ASP CA C -3.414 -7.105 -3.515 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c34319_6hvc 1 . 2 . 144 . 1 1 1 ASP CB C -4.868 -7.070 -4.064 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c34319_6hvc 1 . 2 . 145 . 1 1 1 ASP CG C -5.560 -8.433 -4.131 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c34319_6hvc 1 . 2 . 146 . 1 1 1 ASP H1 H -2.517 -7.783 -1.675 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H1 . . . . . . . . . c34319_6hvc 1 . 2 . 147 . 1 1 1 ASP H2 H -3.797 -6.873 -1.458 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H2 . . . . . . . . . c34319_6hvc 1 . 2 . 148 . 1 1 1 ASP H3 H -4.089 -8.410 -2.054 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H3 . . . . . . . . . c34319_6hvc 1 . 2 . 149 . 1 1 1 ASP HA H -2.866 -7.840 -4.125 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c34319_6hvc 1 . 2 . 150 . 1 1 1 ASP HB2 H -5.505 -6.391 -3.470 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c34319_6hvc 1 . 2 . 151 . 1 1 1 ASP HB3 H -4.863 -6.648 -5.086 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c34319_6hvc 1 . 2 . 152 . 1 1 1 ASP N N -3.461 -7.589 -2.114 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c34319_6hvc 1 . 2 . 153 . 1 1 1 ASP O O -1.319 -5.909 -3.576 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c34319_6hvc 1 . 2 . 154 . 1 1 1 ASP OD1 O -6.081 -8.800 -5.201 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c34319_6hvc 1 . 2 . 155 . 1 1 1 ASP OD2 O -5.562 -9.141 -3.097 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c34319_6hvc 1 . 2 . 156 . 1 1 2 CYS C C -3.296 -2.229 -2.793 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c34319_6hvc 1 . 2 . 157 . 1 1 2 CYS CA C -2.422 -3.338 -3.456 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c34319_6hvc 1 . 2 . 158 . 1 1 2 CYS CB C -1.781 -2.873 -4.781 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c34319_6hvc 1 . 2 . 159 . 1 1 2 CYS H H -4.109 -4.651 -4.022 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c34319_6hvc 1 . 2 . 160 . 1 1 2 CYS HA H -1.604 -3.562 -2.755 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c34319_6hvc 1 . 2 . 161 . 1 1 2 CYS HB2 H -1.319 -3.725 -5.314 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c34319_6hvc 1 . 2 . 162 . 1 1 2 CYS HB3 H -2.549 -2.463 -5.458 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c34319_6hvc 1 . 2 . 163 . 1 1 2 CYS N N -3.153 -4.611 -3.668 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c34319_6hvc 1 . 2 . 164 . 1 1 2 CYS O O -4.415 -1.946 -3.233 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c34319_6hvc 1 . 2 . 165 . 1 1 2 CYS SG S -0.504 -1.637 -4.441 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c34319_6hvc 1 . 2 . 166 . 1 1 3 PHE C C -2.581 0.916 -1.843 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . c34319_6hvc 1 . 2 . 167 . 1 1 3 PHE CA C -3.311 -0.313 -1.196 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . c34319_6hvc 1 . 2 . 168 . 1 1 3 PHE CB C -3.153 -0.434 0.349 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . c34319_6hvc 1 . 2 . 169 . 1 1 3 PHE CD1 C -5.069 0.988 1.255 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . c34319_6hvc 1 . 2 . 170 . 1 1 3 PHE CD2 C -2.814 1.545 1.911 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . c34319_6hvc 1 . 2 . 171 . 1 1 3 PHE CE1 C -5.552 2.057 2.004 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . c34319_6hvc 1 . 2 . 172 . 1 1 3 PHE CE2 C -3.297 2.614 2.663 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . c34319_6hvc 1 . 2 . 173 . 1 1 3 PHE CG C -3.696 0.730 1.194 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . c34319_6hvc 1 . 2 . 174 . 1 1 3 PHE CZ C -4.665 2.871 2.707 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . c34319_6hvc 1 . 2 . 175 . 1 1 3 PHE H H -1.740 -1.714 -1.618 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . c34319_6hvc 1 . 2 . 176 . 1 1 3 PHE HA H -4.394 -0.245 -1.423 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . c34319_6hvc 1 . 2 . 177 . 1 1 3 PHE HB2 H -3.655 -1.360 0.695 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . c34319_6hvc 1 . 2 . 178 . 1 1 3 PHE HB3 H -2.087 -0.610 0.593 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . c34319_6hvc 1 . 2 . 179 . 1 1 3 PHE HD1 H -5.767 0.359 0.719 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . c34319_6hvc 1 . 2 . 180 . 1 1 3 PHE HD2 H -1.749 1.358 1.885 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . c34319_6hvc 1 . 2 . 181 . 1 1 3 PHE HE1 H -6.614 2.250 2.049 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . c34319_6hvc 1 . 2 . 182 . 1 1 3 PHE HE2 H -2.610 3.238 3.216 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . c34319_6hvc 1 . 2 . 183 . 1 1 3 PHE HZ H -5.041 3.696 3.294 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . c34319_6hvc 1 . 2 . 184 . 1 1 3 PHE N N -2.752 -1.570 -1.753 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . c34319_6hvc 1 . 2 . 185 . 1 1 3 PHE O O -1.435 0.810 -2.299 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . c34319_6hvc 1 . 2 . 186 . 1 1 4 TRP C C -1.231 3.611 -2.679 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c34319_6hvc 1 . 2 . 187 . 1 1 4 TRP CA C -2.771 3.308 -2.605 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c34319_6hvc 1 . 2 . 188 . 1 1 4 TRP CB C -3.682 4.501 -2.188 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c34319_6hvc 1 . 2 . 189 . 1 1 4 TRP CD1 C -3.097 6.992 -1.625 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c34319_6hvc 1 . 2 . 190 . 1 1 4 TRP CD2 C -2.861 6.469 -3.767 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c34319_6hvc 1 . 2 . 191 . 1 1 4 TRP CE2 C -2.500 7.826 -3.567 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c34319_6hvc 1 . 2 . 192 . 1 1 4 TRP CE3 C -2.700 5.866 -5.035 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c34319_6hvc 1 . 2 . 193 . 1 1 4 TRP CG C -3.253 5.940 -2.550 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c34319_6hvc 1 . 2 . 194 . 1 1 4 TRP CH2 C -1.863 7.984 -5.895 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c34319_6hvc 1 . 2 . 195 . 1 1 4 TRP CZ2 C -1.996 8.592 -4.645 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c34319_6hvc 1 . 2 . 196 . 1 1 4 TRP CZ3 C -2.205 6.638 -6.086 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c34319_6hvc 1 . 2 . 197 . 1 1 4 TRP H H -4.169 2.054 -1.431 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c34319_6hvc 1 . 2 . 198 . 1 1 4 TRP HA H -3.001 3.091 -3.658 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c34319_6hvc 1 . 2 . 199 . 1 1 4 TRP HB2 H -4.695 4.328 -2.596 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c34319_6hvc 1 . 2 . 200 . 1 1 4 TRP HB3 H -3.822 4.464 -1.093 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c34319_6hvc 1 . 2 . 201 . 1 1 4 TRP HD1 H -3.236 6.871 -0.561 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c34319_6hvc 1 . 2 . 202 . 1 1 4 TRP HE1 H -2.499 9.102 -1.814 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c34319_6hvc 1 . 2 . 203 . 1 1 4 TRP HE3 H -2.900 4.811 -5.148 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c34319_6hvc 1 . 2 . 204 . 1 1 4 TRP HH2 H -1.475 8.556 -6.727 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c34319_6hvc 1 . 2 . 205 . 1 1 4 TRP HZ2 H -1.708 9.623 -4.501 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c34319_6hvc 1 . 2 . 206 . 1 1 4 TRP HZ3 H -2.066 6.185 -7.058 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c34319_6hvc 1 . 2 . 207 . 1 1 4 TRP N N -3.250 2.085 -1.883 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c34319_6hvc 1 . 2 . 208 . 1 1 4 TRP NE1 N -2.642 8.177 -2.236 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c34319_6hvc 1 . 2 . 209 . 1 1 4 TRP O O -0.743 3.558 -3.815 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c34319_6hvc 1 . 2 . 210 . 1 1 5 . C C 1.785 2.698 -1.075 . . . 1.0 . . . . . . . . . . . . A . 8 NMK C . . . . . . . . . c34319_6hvc 1 . 2 . 211 . 1 1 5 . CA C 1.055 3.903 -1.772 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CA . . . . . . . . . c34319_6hvc 1 . 2 . 212 . 1 1 5 . CB C 1.636 5.317 -1.454 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CB . . . . . . . . . c34319_6hvc 1 . 2 . 213 . 1 1 5 . CD C 1.834 7.815 -2.267 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CD . . . . . . . . . c34319_6hvc 1 . 2 . 214 . 1 1 5 . CE C 1.684 8.630 -0.968 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CE . . . . . . . . . c34319_6hvc 1 . 2 . 215 . 1 1 5 . CG C 1.082 6.466 -2.337 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CG . . . . . . . . . c34319_6hvc 1 . 2 . 216 . 1 1 5 . CN C -1.023 4.079 -0.240 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CN . . . . . . . . . c34319_6hvc 1 . 2 . 217 . 1 1 5 . HA H 1.308 3.757 -2.836 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HA . . . . . . . . . c34319_6hvc 1 . 2 . 218 . 1 1 5 . HB2 H 1.461 5.534 -0.387 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HB2 . . . . . . . . . c34319_6hvc 1 . 2 . 219 . 1 1 5 . HB3 H 2.733 5.268 -1.585 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HB3 . . . . . . . . . c34319_6hvc 1 . 2 . 220 . 1 1 5 . HD2 H 2.898 7.678 -2.543 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HD2 . . . . . . . . . c34319_6hvc 1 . 2 . 221 . 1 1 5 . HD3 H 1.429 8.439 -3.088 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HD3 . . . . . . . . . c34319_6hvc 1 . 2 . 222 . 1 1 5 . HE2 H 1.880 9.701 -1.182 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HE2 . . . . . . . . . c34319_6hvc 1 . 2 . 223 . 1 1 5 . HE3 H 0.634 8.594 -0.609 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HE3 . . . . . . . . . c34319_6hvc 1 . 2 . 224 . 1 1 5 . HG2 H 1.080 6.124 -3.390 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HG2 . . . . . . . . . c34319_6hvc 1 . 2 . 225 . 1 1 5 . HG3 H 0.007 6.623 -2.114 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HG3 . . . . . . . . . c34319_6hvc 1 . 2 . 226 . 1 1 5 . HM1 H -1.517 5.063 -0.155 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HM1 . . . . . . . . . c34319_6hvc 1 . 2 . 227 . 1 1 5 . HM2 H -1.766 3.304 0.009 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HM2 . . . . . . . . . c34319_6hvc 1 . 2 . 228 . 1 1 5 . HM3 H -0.255 4.034 0.553 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HM3 . . . . . . . . . c34319_6hvc 1 . 2 . 229 . 1 1 5 . HZ1 H 3.598 8.277 -0.200 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HZ1 . . . . . . . . . c34319_6hvc 1 . 2 . 230 . 1 1 5 . HZ2 H 2.501 8.653 0.974 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HZ2 . . . . . . . . . c34319_6hvc 1 . 2 . 231 . 1 1 5 . HZ3 H 2.494 7.159 0.268 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HZ3 . . . . . . . . . c34319_6hvc 1 . 2 . 232 . 1 1 5 . N N -0.440 3.890 -1.597 . . . 1.0 . . . . . . . . . . . . A . 8 NMK N . . . . . . . . . c34319_6hvc 1 . 2 . 233 . 1 1 5 . NZ N 2.617 8.161 0.081 . . . 1.0 . . . . . . . . . . . . A . 8 NMK NZ . . . . . . . . . c34319_6hvc 1 . 2 . 234 . 1 1 5 . O O 2.874 2.876 -0.518 . . . 1.0 . . . . . . . . . . . . A . 8 NMK O . . . . . . . . . c34319_6hvc 1 . 2 . 235 . 1 1 6 TYR C C 1.165 -1.028 -1.004 . . . 1.0 . . . . . . . . . . . . A . 9 TYR C . . . . . . . . . c34319_6hvc 1 . 2 . 236 . 1 1 6 TYR CA C 1.807 0.278 -0.436 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CA . . . . . . . . . c34319_6hvc 1 . 2 . 237 . 1 1 6 TYR CB C 1.638 0.384 1.113 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CB . . . . . . . . . c34319_6hvc 1 . 2 . 238 . 1 1 6 TYR CD1 C 3.812 -0.374 2.200 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CD1 . . . . . . . . . c34319_6hvc 1 . 2 . 239 . 1 1 6 TYR CD2 C 1.884 -1.819 2.370 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CD2 . . . . . . . . . c34319_6hvc 1 . 2 . 240 . 1 1 6 TYR CE1 C 4.567 -1.300 2.916 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CE1 . . . . . . . . . c34319_6hvc 1 . 2 . 241 . 1 1 6 TYR CE2 C 2.642 -2.743 3.087 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CE2 . . . . . . . . . c34319_6hvc 1 . 2 . 242 . 1 1 6 TYR CG C 2.465 -0.629 1.920 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CG . . . . . . . . . c34319_6hvc 1 . 2 . 243 . 1 1 6 TYR CZ C 3.983 -2.483 3.358 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CZ . . . . . . . . . c34319_6hvc 1 . 2 . 244 . 1 1 6 TYR H H 0.278 1.435 -1.571 . . . 1.0 . . . . . . . . . . . . A . 9 TYR H . . . . . . . . . c34319_6hvc 1 . 2 . 245 . 1 1 6 TYR HA H 2.894 0.266 -0.658 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HA . . . . . . . . . c34319_6hvc 1 . 2 . 246 . 1 1 6 TYR HB2 H 1.917 1.399 1.454 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HB2 . . . . . . . . . c34319_6hvc 1 . 2 . 247 . 1 1 6 TYR HB3 H 0.565 0.307 1.376 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HB3 . . . . . . . . . c34319_6hvc 1 . 2 . 248 . 1 1 6 TYR HD1 H 4.279 0.540 1.856 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HD1 . . . . . . . . . c34319_6hvc 1 . 2 . 249 . 1 1 6 TYR HD2 H 0.848 -2.035 2.154 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HD2 . . . . . . . . . c34319_6hvc 1 . 2 . 250 . 1 1 6 TYR HE1 H 5.609 -1.106 3.128 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HE1 . . . . . . . . . c34319_6hvc 1 . 2 . 251 . 1 1 6 TYR HE2 H 2.185 -3.659 3.429 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HE2 . . . . . . . . . c34319_6hvc 1 . 2 . 252 . 1 1 6 TYR HH H 4.195 -4.164 4.236 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HH . . . . . . . . . c34319_6hvc 1 . 2 . 253 . 1 1 6 TYR N N 1.210 1.470 -1.108 . . . 1.0 . . . . . . . . . . . . A . 9 TYR N . . . . . . . . . c34319_6hvc 1 . 2 . 254 . 1 1 6 TYR O O -0.010 -1.308 -0.746 . . . 1.0 . . . . . . . . . . . . A . 9 TYR O . . . . . . . . . c34319_6hvc 1 . 2 . 255 . 1 1 6 TYR OH O 4.733 -3.391 4.055 . . . 1.0 . . . . . . . . . . . . A . 9 TYR OH . . . . . . . . . c34319_6hvc 1 . 2 . 256 . 1 1 7 CYS C C 1.512 -4.332 -1.272 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c34319_6hvc 1 . 2 . 257 . 1 1 7 CYS CA C 1.407 -3.139 -2.278 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c34319_6hvc 1 . 2 . 258 . 1 1 7 CYS CB C 2.026 -3.416 -3.661 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c34319_6hvc 1 . 2 . 259 . 1 1 7 CYS H H 2.902 -1.565 -1.881 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c34319_6hvc 1 . 2 . 260 . 1 1 7 CYS HA H 0.342 -2.999 -2.504 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c34319_6hvc 1 . 2 . 261 . 1 1 7 CYS HB2 H 3.129 -3.336 -3.650 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c34319_6hvc 1 . 2 . 262 . 1 1 7 CYS HB3 H 1.804 -4.456 -3.971 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c34319_6hvc 1 . 2 . 263 . 1 1 7 CYS N N 1.929 -1.854 -1.744 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c34319_6hvc 1 . 2 . 264 . 1 1 7 CYS O O 2.598 -4.854 -1.002 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c34319_6hvc 1 . 2 . 265 . 1 1 7 CYS SG S 1.325 -2.329 -4.936 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c34319_6hvc 1 . 2 . 266 . 1 1 8 VAL C C -1.157 -6.635 -0.269 . . . 1.0 . . . . . . . . . . . . A . 11 VAL C . . . . . . . . . c34319_6hvc 1 . 2 . 267 . 1 1 8 VAL CA C 0.213 -5.985 0.092 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CA . . . . . . . . . c34319_6hvc 1 . 2 . 268 . 1 1 8 VAL CB C 0.458 -5.693 1.615 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CB . . . . . . . . . c34319_6hvc 1 . 2 . 269 . 1 1 8 VAL CG1 C -0.581 -4.774 2.302 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CG1 . . . . . . . . . c34319_6hvc 1 . 2 . 270 . 1 1 8 VAL CG2 C 0.602 -6.987 2.444 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CG2 . . . . . . . . . c34319_6hvc 1 . 2 . 271 . 1 1 8 VAL H H -0.497 -4.273 -1.036 . . . 1.0 . . . . . . . . . . . . A . 11 VAL H . . . . . . . . . c34319_6hvc 1 . 2 . 272 . 1 1 8 VAL HA H 0.977 -6.717 -0.233 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HA . . . . . . . . . c34319_6hvc 1 . 2 . 273 . 1 1 8 VAL HB H 1.436 -5.177 1.674 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HB . . . . . . . . . c34319_6hvc 1 . 2 . 274 . 1 1 8 VAL HG11 H -0.701 -3.821 1.754 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG11 . . . . . . . . . c34319_6hvc 1 . 2 . 275 . 1 1 8 VAL HG12 H -1.582 -5.244 2.333 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG12 . . . . . . . . . c34319_6hvc 1 . 2 . 276 . 1 1 8 VAL HG13 H -0.300 -4.522 3.339 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG13 . . . . . . . . . c34319_6hvc 1 . 2 . 277 . 1 1 8 VAL HG21 H 1.397 -7.642 2.042 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG21 . . . . . . . . . c34319_6hvc 1 . 2 . 278 . 1 1 8 VAL HG22 H 0.858 -6.778 3.500 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG22 . . . . . . . . . c34319_6hvc 1 . 2 . 279 . 1 1 8 VAL HG23 H -0.335 -7.577 2.441 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG23 . . . . . . . . . c34319_6hvc 1 . 2 . 280 . 1 1 8 VAL N N 0.353 -4.758 -0.737 . . . 1.0 . . . . . . . . . . . . A . 11 VAL N . . . . . . . . . c34319_6hvc 1 . 2 . 281 . 1 1 8 VAL O O -2.230 -5.997 -0.122 . . . 1.0 . . . . . . . . . . . . A . 11 VAL O . . . . . . . . . c34319_6hvc 1 . 2 . 282 . 1 1 8 VAL OXT O -1.174 -7.788 -0.761 . . . 1.0 . . . . . . . . . . . . A . 11 VAL OXT . . . . . . . . . c34319_6hvc 1 . 3 . 283 . 1 1 1 ASP C C -3.263 -5.367 -1.809 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c34319_6hvc 1 . 3 . 284 . 1 1 1 ASP CA C -3.653 -6.878 -1.821 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c34319_6hvc 1 . 3 . 285 . 1 1 1 ASP CB C -5.168 -7.108 -1.602 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c34319_6hvc 1 . 3 . 286 . 1 1 1 ASP CG C -5.616 -8.564 -1.756 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c34319_6hvc 1 . 3 . 287 . 1 1 1 ASP H1 H -3.336 -8.562 -0.660 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H1 . . . . . . . . . c34319_6hvc 1 . 3 . 288 . 1 1 1 ASP H2 H -1.864 -7.683 -0.931 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H2 . . . . . . . . . c34319_6hvc 1 . 3 . 289 . 1 1 1 ASP H3 H -2.930 -7.139 0.129 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H3 . . . . . . . . . c34319_6hvc 1 . 3 . 290 . 1 1 1 ASP HA H -3.378 -7.312 -2.803 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c34319_6hvc 1 . 3 . 291 . 1 1 1 ASP HB2 H -5.487 -6.748 -0.606 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c34319_6hvc 1 . 3 . 292 . 1 1 1 ASP HB3 H -5.743 -6.500 -2.325 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c34319_6hvc 1 . 3 . 293 . 1 1 1 ASP N N -2.913 -7.623 -0.776 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c34319_6hvc 1 . 3 . 294 . 1 1 1 ASP O O -3.174 -4.757 -0.738 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c34319_6hvc 1 . 3 . 295 . 1 1 1 ASP OD1 O -6.527 -8.840 -2.561 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c34319_6hvc 1 . 3 . 296 . 1 1 1 ASP OD2 O -5.023 -9.432 -1.076 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c34319_6hvc 1 . 3 . 297 . 1 1 2 CYS C C -3.331 -2.221 -2.726 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c34319_6hvc 1 . 3 . 298 . 1 1 2 CYS CA C -2.379 -3.417 -3.054 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c34319_6hvc 1 . 3 . 299 . 1 1 2 CYS CB C -1.678 -3.249 -4.416 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c34319_6hvc 1 . 3 . 300 . 1 1 2 CYS H H -3.159 -5.327 -3.828 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c34319_6hvc 1 . 3 . 301 . 1 1 2 CYS HA H -1.560 -3.425 -2.311 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c34319_6hvc 1 . 3 . 302 . 1 1 2 CYS HB2 H -1.052 -4.128 -4.662 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c34319_6hvc 1 . 3 . 303 . 1 1 2 CYS HB3 H -2.410 -3.133 -5.235 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c34319_6hvc 1 . 3 . 304 . 1 1 2 CYS N N -3.006 -4.762 -2.987 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c34319_6hvc 1 . 3 . 305 . 1 1 2 CYS O O -4.400 -2.049 -3.320 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c34319_6hvc 1 . 3 . 306 . 1 1 2 CYS SG S -0.606 -1.793 -4.336 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c34319_6hvc 1 . 3 . 307 . 1 1 3 PHE C C -2.707 1.088 -2.082 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . c34319_6hvc 1 . 3 . 308 . 1 1 3 PHE CA C -3.530 -0.085 -1.444 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . c34319_6hvc 1 . 3 . 309 . 1 1 3 PHE CB C -3.606 0.016 0.111 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . c34319_6hvc 1 . 3 . 310 . 1 1 3 PHE CD1 C -4.028 -2.248 1.208 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . c34319_6hvc 1 . 3 . 311 . 1 1 3 PHE CD2 C -5.866 -0.688 1.084 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . c34319_6hvc 1 . 3 . 312 . 1 1 3 PHE CE1 C -4.855 -3.176 1.836 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . c34319_6hvc 1 . 3 . 313 . 1 1 3 PHE CE2 C -6.691 -1.615 1.717 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . c34319_6hvc 1 . 3 . 314 . 1 1 3 PHE CG C -4.527 -0.998 0.822 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . c34319_6hvc 1 . 3 . 315 . 1 1 3 PHE CZ C -6.185 -2.858 2.092 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . c34319_6hvc 1 . 3 . 316 . 1 1 3 PHE H H -1.892 -1.518 -1.523 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . c34319_6hvc 1 . 3 . 317 . 1 1 3 PHE HA H -4.561 -0.043 -1.847 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . c34319_6hvc 1 . 3 . 318 . 1 1 3 PHE HB2 H -2.588 -0.060 0.533 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . c34319_6hvc 1 . 3 . 319 . 1 1 3 PHE HB3 H -3.927 1.036 0.398 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . c34319_6hvc 1 . 3 . 320 . 1 1 3 PHE HD1 H -3.008 -2.526 0.985 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . c34319_6hvc 1 . 3 . 321 . 1 1 3 PHE HD2 H -6.273 0.270 0.792 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . c34319_6hvc 1 . 3 . 322 . 1 1 3 PHE HE1 H -4.460 -4.146 2.107 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . c34319_6hvc 1 . 3 . 323 . 1 1 3 PHE HE2 H -7.725 -1.374 1.915 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . c34319_6hvc 1 . 3 . 324 . 1 1 3 PHE HZ H -6.828 -3.580 2.575 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . c34319_6hvc 1 . 3 . 325 . 1 1 3 PHE N N -2.883 -1.377 -1.787 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . c34319_6hvc 1 . 3 . 326 . 1 1 3 PHE O O -1.565 0.913 -2.527 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . c34319_6hvc 1 . 3 . 327 . 1 1 4 TRP C C -1.105 3.728 -2.684 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c34319_6hvc 1 . 3 . 328 . 1 1 4 TRP CA C -2.656 3.494 -2.789 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c34319_6hvc 1 . 3 . 329 . 1 1 4 TRP CB C -3.533 4.745 -2.489 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c34319_6hvc 1 . 3 . 330 . 1 1 4 TRP CD1 C -2.736 7.195 -1.972 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c34319_6hvc 1 . 3 . 331 . 1 1 4 TRP CD2 C -2.517 6.584 -4.093 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c34319_6hvc 1 . 3 . 332 . 1 1 4 TRP CE2 C -2.037 7.907 -3.934 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c34319_6hvc 1 . 3 . 333 . 1 1 4 TRP CE3 C -2.390 5.921 -5.333 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c34319_6hvc 1 . 3 . 334 . 1 1 4 TRP CG C -2.978 6.135 -2.870 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c34319_6hvc 1 . 3 . 335 . 1 1 4 TRP CH2 C -1.375 7.931 -6.261 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c34319_6hvc 1 . 3 . 336 . 1 1 4 TRP CZ2 C -1.457 8.588 -5.031 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c34319_6hvc 1 . 3 . 337 . 1 1 4 TRP CZ3 C -1.832 6.613 -6.409 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c34319_6hvc 1 . 3 . 338 . 1 1 4 TRP H H -4.229 2.345 -1.737 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c34319_6hvc 1 . 3 . 339 . 1 1 4 TRP HA H -2.773 3.267 -3.858 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c34319_6hvc 1 . 3 . 340 . 1 1 4 TRP HB2 H -4.515 4.615 -2.980 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c34319_6hvc 1 . 3 . 341 . 1 1 4 TRP HB3 H -3.770 4.760 -1.411 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c34319_6hvc 1 . 3 . 342 . 1 1 4 TRP HD1 H -2.908 7.129 -0.908 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c34319_6hvc 1 . 3 . 343 . 1 1 4 TRP HE1 H -1.895 9.214 -2.207 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c34319_6hvc 1 . 3 . 344 . 1 1 4 TRP HE3 H -2.666 4.879 -5.397 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c34319_6hvc 1 . 3 . 345 . 1 1 4 TRP HH2 H -0.950 8.446 -7.111 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c34319_6hvc 1 . 3 . 346 . 1 1 4 TRP HZ2 H -1.088 9.597 -4.917 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c34319_6hvc 1 . 3 . 347 . 1 1 4 TRP HZ3 H -1.741 6.122 -7.368 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c34319_6hvc 1 . 3 . 348 . 1 1 4 TRP N N -3.277 2.310 -2.114 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c34319_6hvc 1 . 3 . 349 . 1 1 4 TRP NE1 N -2.161 8.311 -2.616 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c34319_6hvc 1 . 3 . 350 . 1 1 4 TRP O O -0.505 3.784 -3.767 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c34319_6hvc 1 . 3 . 351 . 1 1 5 . C C 1.657 2.497 -0.831 . . . 1.0 . . . . . . . . . . . . A . 8 NMK C . . . . . . . . . c34319_6hvc 1 . 3 . 352 . 1 1 5 . CA C 1.092 3.786 -1.535 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CA . . . . . . . . . c34319_6hvc 1 . 3 . 353 . 1 1 5 . CB C 1.724 5.136 -1.072 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CB . . . . . . . . . c34319_6hvc 1 . 3 . 354 . 1 1 5 . CD C 2.339 6.761 -3.070 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CD . . . . . . . . . c34319_6hvc 1 . 3 . 355 . 1 1 5 . CE C 2.464 5.785 -4.256 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CE . . . . . . . . . c34319_6hvc 1 . 3 . 356 . 1 1 5 . CG C 1.390 6.412 -1.896 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CG . . . . . . . . . c34319_6hvc 1 . 3 . 357 . 1 1 5 . CN C -1.130 3.977 -0.210 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CN . . . . . . . . . c34319_6hvc 1 . 3 . 358 . 1 1 5 . HA H 1.439 3.657 -2.572 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HA . . . . . . . . . c34319_6hvc 1 . 3 . 359 . 1 1 5 . HB2 H 1.413 5.311 -0.026 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HB2 . . . . . . . . . c34319_6hvc 1 . 3 . 360 . 1 1 5 . HB3 H 2.823 5.025 -1.007 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HB3 . . . . . . . . . c34319_6hvc 1 . 3 . 361 . 1 1 5 . HD2 H 2.056 7.760 -3.456 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HD2 . . . . . . . . . c34319_6hvc 1 . 3 . 362 . 1 1 5 . HD3 H 3.353 6.919 -2.652 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HD3 . . . . . . . . . c34319_6hvc 1 . 3 . 363 . 1 1 5 . HE2 H 3.220 6.180 -4.963 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HE2 . . . . . . . . . c34319_6hvc 1 . 3 . 364 . 1 1 5 . HE3 H 2.872 4.812 -3.918 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HE3 . . . . . . . . . c34319_6hvc 1 . 3 . 365 . 1 1 5 . HG2 H 0.337 6.396 -2.236 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HG2 . . . . . . . . . c34319_6hvc 1 . 3 . 366 . 1 1 5 . HG3 H 1.415 7.270 -1.196 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HG3 . . . . . . . . . c34319_6hvc 1 . 3 . 367 . 1 1 5 . HM1 H -1.765 4.882 -0.174 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HM1 . . . . . . . . . c34319_6hvc 1 . 3 . 368 . 1 1 5 . HM2 H -1.770 3.098 -0.014 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HM2 . . . . . . . . . c34319_6hvc 1 . 3 . 369 . 1 1 5 . HM3 H -0.435 4.048 0.645 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HM3 . . . . . . . . . c34319_6hvc 1 . 3 . 370 . 1 1 5 . HZ1 H 1.285 5.160 -5.889 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HZ1 . . . . . . . . . c34319_6hvc 1 . 3 . 371 . 1 1 5 . HZ2 H 0.532 4.968 -4.439 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HZ2 . . . . . . . . . c34319_6hvc 1 . 3 . 372 . 1 1 5 . HZ3 H 0.662 6.472 -5.095 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HZ3 . . . . . . . . . c34319_6hvc 1 . 3 . 373 . 1 1 5 . N N -0.414 3.868 -1.513 . . . 1.0 . . . . . . . . . . . . A . 8 NMK N . . . . . . . . . c34319_6hvc 1 . 3 . 374 . 1 1 5 . NZ N 1.179 5.594 -4.965 . . . 1.0 . . . . . . . . . . . . A . 8 NMK NZ . . . . . . . . . c34319_6hvc 1 . 3 . 375 . 1 1 5 . O O 2.638 2.573 -0.085 . . . 1.0 . . . . . . . . . . . . A . 8 NMK O . . . . . . . . . c34319_6hvc 1 . 3 . 376 . 1 1 6 TYR C C 0.982 -1.195 -1.153 . . . 1.0 . . . . . . . . . . . . A . 9 TYR C . . . . . . . . . c34319_6hvc 1 . 3 . 377 . 1 1 6 TYR CA C 1.397 0.064 -0.324 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CA . . . . . . . . . c34319_6hvc 1 . 3 . 378 . 1 1 6 TYR CB C 0.728 0.134 1.087 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CB . . . . . . . . . c34319_6hvc 1 . 3 . 379 . 1 1 6 TYR CD1 C 0.036 -2.079 2.129 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CD1 . . . . . . . . . c34319_6hvc 1 . 3 . 380 . 1 1 6 TYR CD2 C 2.154 -1.125 2.791 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CD2 . . . . . . . . . c34319_6hvc 1 . 3 . 381 . 1 1 6 TYR CE1 C 0.251 -3.155 2.985 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CE1 . . . . . . . . . c34319_6hvc 1 . 3 . 382 . 1 1 6 TYR CE2 C 2.369 -2.204 3.647 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CE2 . . . . . . . . . c34319_6hvc 1 . 3 . 383 . 1 1 6 TYR CG C 0.985 -1.056 2.026 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CG . . . . . . . . . c34319_6hvc 1 . 3 . 384 . 1 1 6 TYR CZ C 1.418 -3.217 3.745 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CZ . . . . . . . . . c34319_6hvc 1 . 3 . 385 . 1 1 6 TYR H H 0.182 1.381 -1.635 . . . 1.0 . . . . . . . . . . . . A . 9 TYR H . . . . . . . . . c34319_6hvc 1 . 3 . 386 . 1 1 6 TYR HA H 2.494 0.022 -0.165 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HA . . . . . . . . . c34319_6hvc 1 . 3 . 387 . 1 1 6 TYR HB2 H 1.061 1.056 1.602 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HB2 . . . . . . . . . c34319_6hvc 1 . 3 . 388 . 1 1 6 TYR HB3 H -0.361 0.284 0.967 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HB3 . . . . . . . . . c34319_6hvc 1 . 3 . 389 . 1 1 6 TYR HD1 H -0.862 -2.050 1.533 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HD1 . . . . . . . . . c34319_6hvc 1 . 3 . 390 . 1 1 6 TYR HD2 H 2.899 -0.345 2.724 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HD2 . . . . . . . . . c34319_6hvc 1 . 3 . 391 . 1 1 6 TYR HE1 H -0.481 -3.948 3.038 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HE1 . . . . . . . . . c34319_6hvc 1 . 3 . 392 . 1 1 6 TYR HE2 H 3.274 -2.262 4.233 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HE2 . . . . . . . . . c34319_6hvc 1 . 3 . 393 . 1 1 6 TYR HH H 0.937 -4.923 4.443 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HH . . . . . . . . . c34319_6hvc 1 . 3 . 394 . 1 1 6 TYR N N 1.051 1.309 -1.071 . . . 1.0 . . . . . . . . . . . . A . 9 TYR N . . . . . . . . . c34319_6hvc 1 . 3 . 395 . 1 1 6 TYR O O -0.180 -1.609 -1.116 . . . 1.0 . . . . . . . . . . . . A . 9 TYR O . . . . . . . . . c34319_6hvc 1 . 3 . 396 . 1 1 6 TYR OH O 1.645 -4.288 4.566 . . . 1.0 . . . . . . . . . . . . A . 9 TYR OH . . . . . . . . . c34319_6hvc 1 . 3 . 397 . 1 1 7 CYS C C 2.163 -4.361 -1.675 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c34319_6hvc 1 . 3 . 398 . 1 1 7 CYS CA C 1.682 -3.146 -2.531 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c34319_6hvc 1 . 3 . 399 . 1 1 7 CYS CB C 2.270 -3.093 -3.959 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c34319_6hvc 1 . 3 . 400 . 1 1 7 CYS H H 2.862 -1.414 -1.834 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c34319_6hvc 1 . 3 . 401 . 1 1 7 CYS HA H 0.602 -3.306 -2.687 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c34319_6hvc 1 . 3 . 402 . 1 1 7 CYS HB2 H 3.294 -2.673 -3.977 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c34319_6hvc 1 . 3 . 403 . 1 1 7 CYS HB3 H 2.372 -4.119 -4.362 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c34319_6hvc 1 . 3 . 404 . 1 1 7 CYS N N 1.929 -1.836 -1.863 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c34319_6hvc 1 . 3 . 405 . 1 1 7 CYS O O 3.275 -4.871 -1.854 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c34319_6hvc 1 . 3 . 406 . 1 1 7 CYS SG S 1.202 -2.193 -5.117 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c34319_6hvc 1 . 3 . 407 . 1 1 8 VAL C C 0.023 -6.786 -0.125 . . . 1.0 . . . . . . . . . . . . A . 11 VAL C . . . . . . . . . c34319_6hvc 1 . 3 . 408 . 1 1 8 VAL CA C 1.447 -6.164 -0.102 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CA . . . . . . . . . c34319_6hvc 1 . 3 . 409 . 1 1 8 VAL CB C 2.075 -6.082 1.335 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CB . . . . . . . . . c34319_6hvc 1 . 3 . 410 . 1 1 8 VAL CG1 C 2.259 -7.469 1.993 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CG1 . . . . . . . . . c34319_6hvc 1 . 3 . 411 . 1 1 8 VAL CG2 C 3.435 -5.352 1.417 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CG2 . . . . . . . . . c34319_6hvc 1 . 3 . 412 . 1 1 8 VAL H H 0.408 -4.328 -0.681 . . . 1.0 . . . . . . . . . . . . A . 11 VAL H . . . . . . . . . c34319_6hvc 1 . 3 . 413 . 1 1 8 VAL HA H 2.086 -6.829 -0.715 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HA . . . . . . . . . c34319_6hvc 1 . 3 . 414 . 1 1 8 VAL HB H 1.360 -5.518 1.958 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HB . . . . . . . . . c34319_6hvc 1 . 3 . 415 . 1 1 8 VAL HG11 H 1.298 -8.015 2.056 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG11 . . . . . . . . . c34319_6hvc 1 . 3 . 416 . 1 1 8 VAL HG12 H 2.958 -8.110 1.424 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG12 . . . . . . . . . c34319_6hvc 1 . 3 . 417 . 1 1 8 VAL HG13 H 2.642 -7.391 3.028 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG13 . . . . . . . . . c34319_6hvc 1 . 3 . 418 . 1 1 8 VAL HG21 H 3.348 -4.304 1.073 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG21 . . . . . . . . . c34319_6hvc 1 . 3 . 419 . 1 1 8 VAL HG22 H 3.822 -5.305 2.451 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG22 . . . . . . . . . c34319_6hvc 1 . 3 . 420 . 1 1 8 VAL HG23 H 4.205 -5.836 0.787 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG23 . . . . . . . . . c34319_6hvc 1 . 3 . 421 . 1 1 8 VAL N N 1.290 -4.841 -0.770 . . . 1.0 . . . . . . . . . . . . A . 11 VAL N . . . . . . . . . c34319_6hvc 1 . 3 . 422 . 1 1 8 VAL O O -0.286 -7.590 -1.037 . . . 1.0 . . . . . . . . . . . . A . 11 VAL O . . . . . . . . . c34319_6hvc 1 . 3 . 423 . 1 1 8 VAL OXT O -0.820 -6.469 0.750 . . . 1.0 . . . . . . . . . . . . A . 11 VAL OXT . . . . . . . . . c34319_6hvc 1 . 4 . 424 . 1 1 1 ASP C C -3.024 -5.154 -0.669 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c34319_6hvc 1 . 4 . 425 . 1 1 1 ASP CA C -3.538 -6.505 -0.085 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c34319_6hvc 1 . 4 . 426 . 1 1 1 ASP CB C -4.761 -6.342 0.849 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c34319_6hvc 1 . 4 . 427 . 1 1 1 ASP CG C -5.391 -7.661 1.303 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c34319_6hvc 1 . 4 . 428 . 1 1 1 ASP H1 H -2.832 -8.001 1.174 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H1 . . . . . . . . . c34319_6hvc 1 . 4 . 429 . 1 1 1 ASP H2 H -1.604 -7.409 0.086 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H2 . . . . . . . . . c34319_6hvc 1 . 4 . 430 . 1 1 1 ASP H3 H -2.008 -6.551 1.343 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H3 . . . . . . . . . c34319_6hvc 1 . 4 . 431 . 1 1 1 ASP HA H -3.840 -7.171 -0.921 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c34319_6hvc 1 . 4 . 432 . 1 1 1 ASP HB2 H -4.503 -5.750 1.747 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c34319_6hvc 1 . 4 . 433 . 1 1 1 ASP HB3 H -5.544 -5.755 0.334 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c34319_6hvc 1 . 4 . 434 . 1 1 1 ASP N N -2.460 -7.182 0.665 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c34319_6hvc 1 . 4 . 435 . 1 1 1 ASP O O -2.575 -4.281 0.081 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c34319_6hvc 1 . 4 . 436 . 1 1 1 ASP OD1 O -6.611 -7.844 1.130 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c34319_6hvc 1 . 4 . 437 . 1 1 1 ASP OD2 O -4.642 -8.524 1.815 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c34319_6hvc 1 . 4 . 438 . 1 1 2 CYS C C -3.324 -2.551 -2.707 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c34319_6hvc 1 . 4 . 439 . 1 1 2 CYS CA C -2.429 -3.831 -2.684 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c34319_6hvc 1 . 4 . 440 . 1 1 2 CYS CB C -2.006 -4.318 -4.088 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c34319_6hvc 1 . 4 . 441 . 1 1 2 CYS H H -3.443 -5.776 -2.540 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c34319_6hvc 1 . 4 . 442 . 1 1 2 CYS HA H -1.499 -3.605 -2.137 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c34319_6hvc 1 . 4 . 443 . 1 1 2 CYS HB2 H -1.264 -5.137 -4.018 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c34319_6hvc 1 . 4 . 444 . 1 1 2 CYS HB3 H -2.874 -4.731 -4.632 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c34319_6hvc 1 . 4 . 445 . 1 1 2 CYS N N -3.065 -4.989 -2.004 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c34319_6hvc 1 . 4 . 446 . 1 1 2 CYS O O -4.410 -2.540 -3.294 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c34319_6hvc 1 . 4 . 447 . 1 1 2 CYS SG S -1.312 -2.989 -5.108 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c34319_6hvc 1 . 4 . 448 . 1 1 3 PHE C C -2.541 1.026 -2.354 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . c34319_6hvc 1 . 4 . 449 . 1 1 3 PHE CA C -3.538 -0.146 -2.046 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . c34319_6hvc 1 . 4 . 450 . 1 1 3 PHE CB C -4.383 -0.030 -0.736 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . c34319_6hvc 1 . 4 . 451 . 1 1 3 PHE CD1 C -3.320 -1.167 1.289 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . c34319_6hvc 1 . 4 . 452 . 1 1 3 PHE CD2 C -3.378 1.244 1.238 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . c34319_6hvc 1 . 4 . 453 . 1 1 3 PHE CE1 C -2.719 -1.127 2.544 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . c34319_6hvc 1 . 4 . 454 . 1 1 3 PHE CE2 C -2.767 1.285 2.490 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . c34319_6hvc 1 . 4 . 455 . 1 1 3 PHE CG C -3.652 0.019 0.623 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . c34319_6hvc 1 . 4 . 456 . 1 1 3 PHE CZ C -2.441 0.099 3.143 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . c34319_6hvc 1 . 4 . 457 . 1 1 3 PHE H H -1.908 -1.552 -1.646 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . c34319_6hvc 1 . 4 . 458 . 1 1 3 PHE HA H -4.264 -0.112 -2.884 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . c34319_6hvc 1 . 4 . 459 . 1 1 3 PHE HB2 H -5.047 0.850 -0.820 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . c34319_6hvc 1 . 4 . 460 . 1 1 3 PHE HB3 H -5.103 -0.873 -0.717 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . c34319_6hvc 1 . 4 . 461 . 1 1 3 PHE HD1 H -3.534 -2.123 0.835 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . c34319_6hvc 1 . 4 . 462 . 1 1 3 PHE HD2 H -3.660 2.167 0.757 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . c34319_6hvc 1 . 4 . 463 . 1 1 3 PHE HE1 H -2.463 -2.048 3.048 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . c34319_6hvc 1 . 4 . 464 . 1 1 3 PHE HE2 H -2.558 2.234 2.961 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . c34319_6hvc 1 . 4 . 465 . 1 1 3 PHE HZ H -1.968 0.127 4.114 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . c34319_6hvc 1 . 4 . 466 . 1 1 3 PHE N N -2.847 -1.465 -2.074 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . c34319_6hvc 1 . 4 . 467 . 1 1 3 PHE O O -1.338 0.819 -2.551 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . c34319_6hvc 1 . 4 . 468 . 1 1 4 TRP C C -0.800 3.659 -2.660 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c34319_6hvc 1 . 4 . 469 . 1 1 4 TRP CA C -2.307 3.430 -3.038 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c34319_6hvc 1 . 4 . 470 . 1 1 4 TRP CB C -3.221 4.682 -2.934 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c34319_6hvc 1 . 4 . 471 . 1 1 4 TRP CD1 C -2.733 7.222 -2.541 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c34319_6hvc 1 . 4 . 472 . 1 1 4 TRP CD2 C -2.042 6.462 -4.506 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c34319_6hvc 1 . 4 . 473 . 1 1 4 TRP CE2 C -1.823 7.861 -4.437 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c34319_6hvc 1 . 4 . 474 . 1 1 4 TRP CE3 C -1.624 5.727 -5.636 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c34319_6hvc 1 . 4 . 475 . 1 1 4 TRP CG C -2.654 6.060 -3.334 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c34319_6hvc 1 . 4 . 476 . 1 1 4 TRP CH2 C -0.847 7.801 -6.651 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c34319_6hvc 1 . 4 . 477 . 1 1 4 TRP CZ2 C -1.230 8.540 -5.527 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c34319_6hvc 1 . 4 . 478 . 1 1 4 TRP CZ3 C -1.030 6.413 -6.699 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c34319_6hvc 1 . 4 . 479 . 1 1 4 TRP H H -4.058 2.324 -2.271 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c34319_6hvc 1 . 4 . 480 . 1 1 4 TRP HA H -2.234 3.179 -4.105 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c34319_6hvc 1 . 4 . 481 . 1 1 4 TRP HB2 H -4.131 4.506 -3.536 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c34319_6hvc 1 . 4 . 482 . 1 1 4 TRP HB3 H -3.591 4.757 -1.899 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c34319_6hvc 1 . 4 . 483 . 1 1 4 TRP HD1 H -3.124 7.226 -1.534 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c34319_6hvc 1 . 4 . 484 . 1 1 4 TRP HE1 H -2.253 9.335 -2.900 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c34319_6hvc 1 . 4 . 485 . 1 1 4 TRP HE3 H -1.728 4.654 -5.635 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c34319_6hvc 1 . 4 . 486 . 1 1 4 TRP HH2 H -0.407 8.309 -7.498 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c34319_6hvc 1 . 4 . 487 . 1 1 4 TRP HZ2 H -1.083 9.611 -5.493 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c34319_6hvc 1 . 4 . 488 . 1 1 4 TRP HZ3 H -0.713 5.861 -7.572 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c34319_6hvc 1 . 4 . 489 . 1 1 4 TRP N N -3.052 2.269 -2.455 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c34319_6hvc 1 . 4 . 490 . 1 1 4 TRP NE1 N -2.229 8.356 -3.210 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c34319_6hvc 1 . 4 . 491 . 1 1 4 TRP O O -0.009 3.575 -3.607 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c34319_6hvc 1 . 4 . 492 . 1 1 5 . C C 1.608 2.534 -0.408 . . . 1.0 . . . . . . . . . . . . A . 8 NMK C . . . . . . . . . c34319_6hvc 1 . 4 . 493 . 1 1 5 . CA C 1.140 3.853 -1.127 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CA . . . . . . . . . c34319_6hvc 1 . 4 . 494 . 1 1 5 . CB C 1.673 5.173 -0.484 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CB . . . . . . . . . c34319_6hvc 1 . 4 . 495 . 1 1 5 . CD C 1.985 6.560 -2.657 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CD . . . . . . . . . c34319_6hvc 1 . 4 . 496 . 1 1 5 . CE C 1.827 7.938 -3.315 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CE . . . . . . . . . c34319_6hvc 1 . 4 . 497 . 1 1 5 . CG C 1.403 6.505 -1.228 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CG . . . . . . . . . c34319_6hvc 1 . 4 . 498 . 1 1 5 . CN C -1.281 4.163 -0.269 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CN . . . . . . . . . c34319_6hvc 1 . 4 . 499 . 1 1 5 . HA H 1.681 3.804 -2.087 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HA . . . . . . . . . c34319_6hvc 1 . 4 . 500 . 1 1 5 . HB2 H 1.264 5.253 0.540 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HB2 . . . . . . . . . c34319_6hvc 1 . 4 . 501 . 1 1 5 . HB3 H 2.764 5.072 -0.341 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HB3 . . . . . . . . . c34319_6hvc 1 . 4 . 502 . 1 1 5 . HD2 H 3.054 6.270 -2.633 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HD2 . . . . . . . . . c34319_6hvc 1 . 4 . 503 . 1 1 5 . HD3 H 1.476 5.789 -3.271 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HD3 . . . . . . . . . c34319_6hvc 1 . 4 . 504 . 1 1 5 . HE2 H 0.776 8.283 -3.241 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HE2 . . . . . . . . . c34319_6hvc 1 . 4 . 505 . 1 1 5 . HE3 H 2.431 8.694 -2.772 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HE3 . . . . . . . . . c34319_6hvc 1 . 4 . 506 . 1 1 5 . HG2 H 0.310 6.688 -1.262 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HG2 . . . . . . . . . c34319_6hvc 1 . 4 . 507 . 1 1 5 . HG3 H 1.810 7.330 -0.612 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HG3 . . . . . . . . . c34319_6hvc 1 . 4 . 508 . 1 1 5 . HM1 H -2.098 3.425 -0.238 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HM1 . . . . . . . . . c34319_6hvc 1 . 4 . 509 . 1 1 5 . HM2 H -0.779 4.102 0.714 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HM2 . . . . . . . . . c34319_6hvc 1 . 4 . 510 . 1 1 5 . HM3 H -1.732 5.170 -0.340 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HM3 . . . . . . . . . c34319_6hvc 1 . 4 . 511 . 1 1 5 . HZ1 H 2.203 8.768 -5.209 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HZ1 . . . . . . . . . c34319_6hvc 1 . 4 . 512 . 1 1 5 . HZ2 H 3.197 7.503 -4.836 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HZ2 . . . . . . . . . c34319_6hvc 1 . 4 . 513 . 1 1 5 . HZ3 H 1.632 7.223 -5.262 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HZ3 . . . . . . . . . c34319_6hvc 1 . 4 . 514 . 1 1 5 . N N -0.343 3.921 -1.396 . . . 1.0 . . . . . . . . . . . . A . 8 NMK N . . . . . . . . . c34319_6hvc 1 . 4 . 515 . 1 1 5 . NZ N 2.239 7.861 -4.732 . . . 1.0 . . . . . . . . . . . . A . 8 NMK NZ . . . . . . . . . c34319_6hvc 1 . 4 . 516 . 1 1 5 . O O 2.552 2.564 0.388 . . . 1.0 . . . . . . . . . . . . A . 8 NMK O . . . . . . . . . c34319_6hvc 1 . 4 . 517 . 1 1 6 TYR C C 0.888 -1.092 -1.037 . . . 1.0 . . . . . . . . . . . . A . 9 TYR C . . . . . . . . . c34319_6hvc 1 . 4 . 518 . 1 1 6 TYR CA C 1.398 0.059 -0.116 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CA . . . . . . . . . c34319_6hvc 1 . 4 . 519 . 1 1 6 TYR CB C 0.867 -0.048 1.347 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CB . . . . . . . . . c34319_6hvc 1 . 4 . 520 . 1 1 6 TYR CD1 C 0.668 -2.444 2.205 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CD1 . . . . . . . . . c34319_6hvc 1 . 4 . 521 . 1 1 6 TYR CD2 C 2.614 -1.156 2.830 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CD2 . . . . . . . . . c34319_6hvc 1 . 4 . 522 . 1 1 6 TYR CE1 C 1.152 -3.526 2.937 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CE1 . . . . . . . . . c34319_6hvc 1 . 4 . 523 . 1 1 6 TYR CE2 C 3.098 -2.242 3.556 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CE2 . . . . . . . . . c34319_6hvc 1 . 4 . 524 . 1 1 6 TYR CG C 1.395 -1.249 2.149 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CG . . . . . . . . . c34319_6hvc 1 . 4 . 525 . 1 1 6 TYR CZ C 2.365 -3.426 3.609 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CZ . . . . . . . . . c34319_6hvc 1 . 4 . 526 . 1 1 6 TYR H H 0.195 1.445 -1.367 . . . 1.0 . . . . . . . . . . . . A . 9 TYR H . . . . . . . . . c34319_6hvc 1 . 4 . 527 . 1 1 6 TYR HA H 2.505 0.006 -0.075 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HA . . . . . . . . . c34319_6hvc 1 . 4 . 528 . 1 1 6 TYR HB2 H 1.110 0.877 1.903 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HB2 . . . . . . . . . c34319_6hvc 1 . 4 . 529 . 1 1 6 TYR HB3 H -0.240 -0.058 1.329 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HB3 . . . . . . . . . c34319_6hvc 1 . 4 . 530 . 1 1 6 TYR HD1 H -0.263 -2.548 1.667 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HD1 . . . . . . . . . c34319_6hvc 1 . 4 . 531 . 1 1 6 TYR HD2 H 3.190 -0.241 2.795 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HD2 . . . . . . . . . c34319_6hvc 1 . 4 . 532 . 1 1 6 TYR HE1 H 0.595 -4.452 2.965 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HE1 . . . . . . . . . c34319_6hvc 1 . 4 . 533 . 1 1 6 TYR HE2 H 4.042 -2.160 4.075 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HE2 . . . . . . . . . c34319_6hvc 1 . 4 . 534 . 1 1 6 TYR HH H 3.697 -4.275 4.682 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HH . . . . . . . . . c34319_6hvc 1 . 4 . 535 . 1 1 6 TYR N N 0.995 1.366 -0.709 . . . 1.0 . . . . . . . . . . . . A . 9 TYR N . . . . . . . . . c34319_6hvc 1 . 4 . 536 . 1 1 6 TYR O O -0.239 -1.572 -0.875 . . . 1.0 . . . . . . . . . . . . A . 9 TYR O . . . . . . . . . c34319_6hvc 1 . 4 . 537 . 1 1 6 TYR OH O 2.842 -4.499 4.312 . . . 1.0 . . . . . . . . . . . . A . 9 TYR OH . . . . . . . . . c34319_6hvc 1 . 4 . 538 . 1 1 7 CYS C C 1.850 -4.071 -2.448 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c34319_6hvc 1 . 4 . 539 . 1 1 7 CYS CA C 1.318 -2.671 -2.901 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c34319_6hvc 1 . 4 . 540 . 1 1 7 CYS CB C 1.643 -2.266 -4.350 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c34319_6hvc 1 . 4 . 541 . 1 1 7 CYS H H 2.609 -1.066 -2.088 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c34319_6hvc 1 . 4 . 542 . 1 1 7 CYS HA H 0.221 -2.754 -2.911 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c34319_6hvc 1 . 4 . 543 . 1 1 7 CYS HB2 H 1.394 -1.206 -4.548 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c34319_6hvc 1 . 4 . 544 . 1 1 7 CYS HB3 H 2.718 -2.391 -4.579 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c34319_6hvc 1 . 4 . 545 . 1 1 7 CYS N N 1.713 -1.555 -1.997 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c34319_6hvc 1 . 4 . 546 . 1 1 7 CYS O O 2.674 -4.693 -3.127 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c34319_6hvc 1 . 4 . 547 . 1 1 7 CYS SG S 0.647 -3.274 -5.473 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c34319_6hvc 1 . 4 . 548 . 1 1 8 VAL C C 0.452 -6.466 -0.105 . . . 1.0 . . . . . . . . . . . . A . 11 VAL C . . . . . . . . . c34319_6hvc 1 . 4 . 549 . 1 1 8 VAL CA C 1.753 -5.885 -0.725 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CA . . . . . . . . . c34319_6hvc 1 . 4 . 550 . 1 1 8 VAL CB C 2.945 -5.799 0.297 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CB . . . . . . . . . c34319_6hvc 1 . 4 . 551 . 1 1 8 VAL CG1 C 3.339 -7.173 0.885 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CG1 . . . . . . . . . c34319_6hvc 1 . 4 . 552 . 1 1 8 VAL CG2 C 4.239 -5.159 -0.257 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CG2 . . . . . . . . . c34319_6hvc 1 . 4 . 553 . 1 1 8 VAL H H 0.699 -3.959 -0.794 . . . 1.0 . . . . . . . . . . . . A . 11 VAL H . . . . . . . . . c34319_6hvc 1 . 4 . 554 . 1 1 8 VAL HA H 2.045 -6.577 -1.538 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HA . . . . . . . . . c34319_6hvc 1 . 4 . 555 . 1 1 8 VAL HB H 2.602 -5.168 1.138 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HB . . . . . . . . . c34319_6hvc 1 . 4 . 556 . 1 1 8 VAL HG11 H 3.690 -7.875 0.106 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG11 . . . . . . . . . c34319_6hvc 1 . 4 . 557 . 1 1 8 VAL HG12 H 4.138 -7.088 1.645 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG12 . . . . . . . . . c34319_6hvc 1 . 4 . 558 . 1 1 8 VAL HG13 H 2.481 -7.655 1.392 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG13 . . . . . . . . . c34319_6hvc 1 . 4 . 559 . 1 1 8 VAL HG21 H 4.067 -4.114 -0.576 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG21 . . . . . . . . . c34319_6hvc 1 . 4 . 560 . 1 1 8 VAL HG22 H 5.046 -5.122 0.498 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG22 . . . . . . . . . c34319_6hvc 1 . 4 . 561 . 1 1 8 VAL HG23 H 4.625 -5.704 -1.138 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG23 . . . . . . . . . c34319_6hvc 1 . 4 . 562 . 1 1 8 VAL N N 1.363 -4.562 -1.292 . . . 1.0 . . . . . . . . . . . . A . 11 VAL N . . . . . . . . . c34319_6hvc 1 . 4 . 563 . 1 1 8 VAL O O -0.189 -7.353 -0.720 . . . 1.0 . . . . . . . . . . . . A . 11 VAL O . . . . . . . . . c34319_6hvc 1 . 4 . 564 . 1 1 8 VAL OXT O 0.039 -6.042 1.002 . . . 1.0 . . . . . . . . . . . . A . 11 VAL OXT . . . . . . . . . c34319_6hvc 1 . 5 . 565 . 1 1 1 ASP C C -2.926 -5.098 -0.604 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c34319_6hvc 1 . 5 . 566 . 1 1 1 ASP CA C -3.444 -6.434 0.016 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c34319_6hvc 1 . 5 . 567 . 1 1 1 ASP CB C -4.686 -6.242 0.922 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c34319_6hvc 1 . 5 . 568 . 1 1 1 ASP CG C -5.319 -7.546 1.414 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c34319_6hvc 1 . 5 . 569 . 1 1 1 ASP H1 H -2.778 -7.877 1.346 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H1 . . . . . . . . . c34319_6hvc 1 . 5 . 570 . 1 1 1 ASP H2 H -1.532 -7.370 0.244 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H2 . . . . . . . . . c34319_6hvc 1 . 5 . 571 . 1 1 1 ASP H3 H -1.933 -6.435 1.470 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H3 . . . . . . . . . c34319_6hvc 1 . 5 . 572 . 1 1 1 ASP HA H -3.727 -7.127 -0.801 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c34319_6hvc 1 . 5 . 573 . 1 1 1 ASP HB2 H -4.446 -5.616 1.801 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c34319_6hvc 1 . 5 . 574 . 1 1 1 ASP HB3 H -5.461 -5.678 0.370 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c34319_6hvc 1 . 5 . 575 . 1 1 1 ASP N N -2.382 -7.085 0.812 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c34319_6hvc 1 . 5 . 576 . 1 1 1 ASP O O -2.441 -4.220 0.119 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c34319_6hvc 1 . 5 . 577 . 1 1 1 ASP OD1 O -4.575 -8.384 1.973 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c34319_6hvc 1 . 5 . 578 . 1 1 1 ASP OD2 O -6.534 -7.742 1.224 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c34319_6hvc 1 . 5 . 579 . 1 1 2 CYS C C -3.324 -2.535 -2.704 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c34319_6hvc 1 . 5 . 580 . 1 1 2 CYS CA C -2.404 -3.797 -2.654 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c34319_6hvc 1 . 5 . 581 . 1 1 2 CYS CB C -1.965 -4.298 -4.049 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c34319_6hvc 1 . 5 . 582 . 1 1 2 CYS H H -3.421 -5.736 -2.454 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c34319_6hvc 1 . 5 . 583 . 1 1 2 CYS HA H -1.477 -3.536 -2.118 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c34319_6hvc 1 . 5 . 584 . 1 1 2 CYS HB2 H -1.211 -5.103 -3.963 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c34319_6hvc 1 . 5 . 585 . 1 1 2 CYS HB3 H -2.825 -4.732 -4.590 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c34319_6hvc 1 . 5 . 586 . 1 1 2 CYS N N -3.010 -4.950 -1.940 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c34319_6hvc 1 . 5 . 587 . 1 1 2 CYS O O -4.412 -2.557 -3.285 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c34319_6hvc 1 . 5 . 588 . 1 1 2 CYS SG S -1.287 -2.967 -5.078 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c34319_6hvc 1 . 5 . 589 . 1 1 3 PHE C C -2.572 1.067 -2.376 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . c34319_6hvc 1 . 5 . 590 . 1 1 3 PHE CA C -3.568 -0.118 -2.099 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . c34319_6hvc 1 . 5 . 591 . 1 1 3 PHE CB C -4.466 -0.011 -0.823 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . c34319_6hvc 1 . 5 . 592 . 1 1 3 PHE CD1 C -3.550 1.264 1.193 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . c34319_6hvc 1 . 5 . 593 . 1 1 3 PHE CD2 C -3.460 -1.147 1.230 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . c34319_6hvc 1 . 5 . 594 . 1 1 3 PHE CE1 C -2.972 1.304 2.461 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . c34319_6hvc 1 . 5 . 595 . 1 1 3 PHE CE2 C -2.892 -1.107 2.500 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . c34319_6hvc 1 . 5 . 596 . 1 1 3 PHE CG C -3.788 0.040 0.563 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . c34319_6hvc 1 . 5 . 597 . 1 1 3 PHE CZ C -2.645 0.119 3.114 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . c34319_6hvc 1 . 5 . 598 . 1 1 3 PHE H H -1.923 -1.501 -1.665 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . c34319_6hvc 1 . 5 . 599 . 1 1 3 PHE HA H -4.259 -0.094 -2.966 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . c34319_6hvc 1 . 5 . 600 . 1 1 3 PHE HB2 H -5.135 0.862 -0.931 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . c34319_6hvc 1 . 5 . 601 . 1 1 3 PHE HB3 H -5.178 -0.860 -0.834 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . c34319_6hvc 1 . 5 . 602 . 1 1 3 PHE HD1 H -3.829 2.188 0.710 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . c34319_6hvc 1 . 5 . 603 . 1 1 3 PHE HD2 H -3.649 -2.103 0.764 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . c34319_6hvc 1 . 5 . 604 . 1 1 3 PHE HE1 H -2.788 2.253 2.943 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . c34319_6hvc 1 . 5 . 605 . 1 1 3 PHE HE2 H -2.637 -2.028 3.005 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . c34319_6hvc 1 . 5 . 606 . 1 1 3 PHE HZ H -2.198 0.146 4.096 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . c34319_6hvc 1 . 5 . 607 . 1 1 3 PHE N N -2.860 -1.427 -2.100 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . c34319_6hvc 1 . 5 . 608 . 1 1 3 PHE O O -1.370 0.870 -2.585 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . c34319_6hvc 1 . 5 . 609 . 1 1 4 TRP C C -0.835 3.724 -2.660 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c34319_6hvc 1 . 5 . 610 . 1 1 4 TRP CA C -2.348 3.483 -3.013 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c34319_6hvc 1 . 5 . 611 . 1 1 4 TRP CB C -3.261 4.735 -2.876 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c34319_6hvc 1 . 5 . 612 . 1 1 4 TRP CD1 C -2.576 7.229 -2.412 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c34319_6hvc 1 . 5 . 613 . 1 1 4 TRP CD2 C -2.108 6.508 -4.457 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c34319_6hvc 1 . 5 . 614 . 1 1 4 TRP CE2 C -1.718 7.863 -4.337 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c34319_6hvc 1 . 5 . 615 . 1 1 4 TRP CE3 C -1.836 5.785 -5.639 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c34319_6hvc 1 . 5 . 616 . 1 1 4 TRP CG C -2.674 6.108 -3.263 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c34319_6hvc 1 . 5 . 617 . 1 1 4 TRP CH2 C -0.867 7.801 -6.601 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c34319_6hvc 1 . 5 . 618 . 1 1 4 TRP CZ2 C -1.093 8.521 -5.424 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c34319_6hvc 1 . 5 . 619 . 1 1 4 TRP CZ3 C -1.228 6.450 -6.706 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c34319_6hvc 1 . 5 . 620 . 1 1 4 TRP H H -4.086 2.365 -2.236 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c34319_6hvc 1 . 5 . 621 . 1 1 4 TRP HA H -2.289 3.241 -4.084 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c34319_6hvc 1 . 5 . 622 . 1 1 4 TRP HB2 H -4.178 4.575 -3.473 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c34319_6hvc 1 . 5 . 623 . 1 1 4 TRP HB3 H -3.621 4.799 -1.836 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c34319_6hvc 1 . 5 . 624 . 1 1 4 TRP HD1 H -2.878 7.219 -1.376 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c34319_6hvc 1 . 5 . 625 . 1 1 4 TRP HE1 H -1.837 9.280 -2.696 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c34319_6hvc 1 . 5 . 626 . 1 1 4 TRP HE3 H -2.047 4.727 -5.661 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c34319_6hvc 1 . 5 . 627 . 1 1 4 TRP HH2 H -0.403 8.295 -7.445 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c34319_6hvc 1 . 5 . 628 . 1 1 4 TRP HZ2 H -0.799 9.558 -5.345 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c34319_6hvc 1 . 5 . 629 . 1 1 4 TRP HZ3 H -1.027 5.914 -7.623 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c34319_6hvc 1 . 5 . 630 . 1 1 4 TRP N N -3.084 2.312 -2.441 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c34319_6hvc 1 . 5 . 631 . 1 1 4 TRP NE1 N -1.988 8.334 -3.064 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c34319_6hvc 1 . 5 . 632 . 1 1 4 TRP O O -0.070 3.783 -3.634 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c34319_6hvc 1 . 5 . 633 . 1 1 5 . C C 1.593 2.492 -0.415 . . . 1.0 . . . . . . . . . . . . A . 8 NMK C . . . . . . . . . c34319_6hvc 1 . 5 . 634 . 1 1 5 . CA C 1.143 3.798 -1.165 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CA . . . . . . . . . c34319_6hvc 1 . 5 . 635 . 1 1 5 . CB C 1.688 5.136 -0.574 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CB . . . . . . . . . c34319_6hvc 1 . 5 . 636 . 1 1 5 . CD C 2.668 6.435 -2.605 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CD . . . . . . . . . c34319_6hvc 1 . 5 . 637 . 1 1 5 . CE C 2.167 6.899 -3.985 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CE . . . . . . . . . c34319_6hvc 1 . 5 . 638 . 1 1 5 . CG C 1.580 6.372 -1.501 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CG . . . . . . . . . c34319_6hvc 1 . 5 . 639 . 1 1 5 . CN C -1.262 4.042 -0.235 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CN . . . . . . . . . c34319_6hvc 1 . 5 . 640 . 1 1 5 . HA H 1.660 3.700 -2.137 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HA . . . . . . . . . c34319_6hvc 1 . 5 . 641 . 1 1 5 . HB2 H 1.157 5.349 0.372 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HB2 . . . . . . . . . c34319_6hvc 1 . 5 . 642 . 1 1 5 . HB3 H 2.743 5.007 -0.271 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HB3 . . . . . . . . . c34319_6hvc 1 . 5 . 643 . 1 1 5 . HD2 H 3.451 7.139 -2.262 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HD2 . . . . . . . . . c34319_6hvc 1 . 5 . 644 . 1 1 5 . HD3 H 3.215 5.476 -2.697 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HD3 . . . . . . . . . c34319_6hvc 1 . 5 . 645 . 1 1 5 . HE2 H 1.447 7.737 -3.873 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HE2 . . . . . . . . . c34319_6hvc 1 . 5 . 646 . 1 1 5 . HE3 H 3.011 7.317 -4.570 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HE3 . . . . . . . . . c34319_6hvc 1 . 5 . 647 . 1 1 5 . HG2 H 0.557 6.426 -1.925 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HG2 . . . . . . . . . c34319_6hvc 1 . 5 . 648 . 1 1 5 . HG3 H 1.647 7.285 -0.877 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HG3 . . . . . . . . . c34319_6hvc 1 . 5 . 649 . 1 1 5 . HM1 H -1.822 4.994 -0.293 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HM1 . . . . . . . . . c34319_6hvc 1 . 5 . 650 . 1 1 5 . HM2 H -1.988 3.216 -0.174 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HM2 . . . . . . . . . c34319_6hvc 1 . 5 . 651 . 1 1 5 . HM3 H -0.722 4.046 0.729 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HM3 . . . . . . . . . c34319_6hvc 1 . 5 . 652 . 1 1 5 . HZ1 H 0.973 6.088 -5.517 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HZ1 . . . . . . . . . c34319_6hvc 1 . 5 . 653 . 1 1 5 . HZ2 H 2.250 5.123 -5.104 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HZ2 . . . . . . . . . c34319_6hvc 1 . 5 . 654 . 1 1 5 . HZ3 H 0.929 5.192 -4.140 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HZ3 . . . . . . . . . c34319_6hvc 1 . 5 . 655 . 1 1 5 . N N -0.345 3.887 -1.397 . . . 1.0 . . . . . . . . . . . . A . 8 NMK N . . . . . . . . . c34319_6hvc 1 . 5 . 656 . 1 1 5 . NZ N 1.555 5.776 -4.730 . . . 1.0 . . . . . . . . . . . . A . 8 NMK NZ . . . . . . . . . c34319_6hvc 1 . 5 . 657 . 1 1 5 . O O 2.504 2.530 0.418 . . . 1.0 . . . . . . . . . . . . A . 8 NMK O . . . . . . . . . c34319_6hvc 1 . 5 . 658 . 1 1 6 TYR C C 0.878 -1.130 -1.036 . . . 1.0 . . . . . . . . . . . . A . 9 TYR C . . . . . . . . . c34319_6hvc 1 . 5 . 659 . 1 1 6 TYR CA C 1.335 0.025 -0.093 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CA . . . . . . . . . c34319_6hvc 1 . 5 . 660 . 1 1 6 TYR CB C 0.686 -0.043 1.324 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CB . . . . . . . . . c34319_6hvc 1 . 5 . 661 . 1 1 6 TYR CD1 C 0.420 -2.433 2.183 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CD1 . . . . . . . . . c34319_6hvc 1 . 5 . 662 . 1 1 6 TYR CD2 C 2.244 -1.100 3.035 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CD2 . . . . . . . . . c34319_6hvc 1 . 5 . 663 . 1 1 6 TYR CE1 C 0.813 -3.491 2.999 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CE1 . . . . . . . . . c34319_6hvc 1 . 5 . 664 . 1 1 6 TYR CE2 C 2.638 -2.162 3.848 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CE2 . . . . . . . . . c34319_6hvc 1 . 5 . 665 . 1 1 6 TYR CG C 1.130 -1.227 2.200 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CG . . . . . . . . . c34319_6hvc 1 . 5 . 666 . 1 1 6 TYR CZ C 1.920 -3.355 3.830 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CZ . . . . . . . . . c34319_6hvc 1 . 5 . 667 . 1 1 6 TYR H H 0.192 1.412 -1.394 . . . 1.0 . . . . . . . . . . . . A . 9 TYR H . . . . . . . . . c34319_6hvc 1 . 5 . 668 . 1 1 6 TYR HA H 2.436 -0.041 0.035 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HA . . . . . . . . . c34319_6hvc 1 . 5 . 669 . 1 1 6 TYR HB2 H 0.891 0.895 1.876 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HB2 . . . . . . . . . c34319_6hvc 1 . 5 . 670 . 1 1 6 TYR HB3 H -0.417 -0.045 1.219 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HB3 . . . . . . . . . c34319_6hvc 1 . 5 . 671 . 1 1 6 TYR HD1 H -0.436 -2.562 1.533 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HD1 . . . . . . . . . c34319_6hvc 1 . 5 . 672 . 1 1 6 TYR HD2 H 2.806 -0.177 3.060 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HD2 . . . . . . . . . c34319_6hvc 1 . 5 . 673 . 1 1 6 TYR HE1 H 0.272 -4.425 2.972 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HE1 . . . . . . . . . c34319_6hvc 1 . 5 . 674 . 1 1 6 TYR HE2 H 3.501 -2.052 4.489 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HE2 . . . . . . . . . c34319_6hvc 1 . 5 . 675 . 1 1 6 TYR HH H 3.103 -4.157 5.097 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HH . . . . . . . . . c34319_6hvc 1 . 5 . 676 . 1 1 6 TYR N N 0.990 1.323 -0.736 . . . 1.0 . . . . . . . . . . . . A . 9 TYR N . . . . . . . . . c34319_6hvc 1 . 5 . 677 . 1 1 6 TYR O O -0.267 -1.585 -0.943 . . . 1.0 . . . . . . . . . . . . A . 9 TYR O . . . . . . . . . c34319_6hvc 1 . 5 . 678 . 1 1 6 TYR OH O 2.308 -4.402 4.622 . . . 1.0 . . . . . . . . . . . . A . 9 TYR OH . . . . . . . . . c34319_6hvc 1 . 5 . 679 . 1 1 7 CYS C C 1.942 -4.102 -2.499 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c34319_6hvc 1 . 5 . 680 . 1 1 7 CYS CA C 1.381 -2.698 -2.892 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c34319_6hvc 1 . 5 . 681 . 1 1 7 CYS CB C 1.674 -2.240 -4.332 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c34319_6hvc 1 . 5 . 682 . 1 1 7 CYS H H 2.666 -1.148 -1.968 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c34319_6hvc 1 . 5 . 683 . 1 1 7 CYS HA H 0.288 -2.812 -2.904 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c34319_6hvc 1 . 5 . 684 . 1 1 7 CYS HB2 H 1.403 -1.178 -4.489 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c34319_6hvc 1 . 5 . 685 . 1 1 7 CYS HB3 H 2.746 -2.339 -4.583 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c34319_6hvc 1 . 5 . 686 . 1 1 7 CYS N N 1.752 -1.610 -1.943 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c34319_6hvc 1 . 5 . 687 . 1 1 7 CYS O O 2.824 -4.653 -3.165 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c34319_6hvc 1 . 5 . 688 . 1 1 7 CYS SG S 0.673 -3.233 -5.464 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c34319_6hvc 1 . 5 . 689 . 1 1 8 VAL C C 0.520 -6.594 -0.144 . . . 1.0 . . . . . . . . . . . . A . 11 VAL C . . . . . . . . . c34319_6hvc 1 . 5 . 690 . 1 1 8 VAL CA C 1.733 -6.064 -0.961 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CA . . . . . . . . . c34319_6hvc 1 . 5 . 691 . 1 1 8 VAL CB C 3.139 -6.160 -0.262 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CB . . . . . . . . . c34319_6hvc 1 . 5 . 692 . 1 1 8 VAL CG1 C 3.306 -5.338 1.036 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CG1 . . . . . . . . . c34319_6hvc 1 . 5 . 693 . 1 1 8 VAL CG2 C 3.563 -7.619 0.010 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CG2 . . . . . . . . . c34319_6hvc 1 . 5 . 694 . 1 1 8 VAL H H 0.721 -4.123 -0.888 . . . 1.0 . . . . . . . . . . . . A . 11 VAL H . . . . . . . . . c34319_6hvc 1 . 5 . 695 . 1 1 8 VAL HA H 1.778 -6.715 -1.858 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HA . . . . . . . . . c34319_6hvc 1 . 5 . 696 . 1 1 8 VAL HB H 3.874 -5.756 -0.986 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HB . . . . . . . . . c34319_6hvc 1 . 5 . 697 . 1 1 8 VAL HG11 H 4.340 -5.372 1.425 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG11 . . . . . . . . . c34319_6hvc 1 . 5 . 698 . 1 1 8 VAL HG12 H 3.054 -4.273 0.877 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG12 . . . . . . . . . c34319_6hvc 1 . 5 . 699 . 1 1 8 VAL HG13 H 2.638 -5.703 1.839 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG13 . . . . . . . . . c34319_6hvc 1 . 5 . 700 . 1 1 8 VAL HG21 H 2.892 -8.108 0.741 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG21 . . . . . . . . . c34319_6hvc 1 . 5 . 701 . 1 1 8 VAL HG22 H 3.537 -8.230 -0.911 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG22 . . . . . . . . . c34319_6hvc 1 . 5 . 702 . 1 1 8 VAL HG23 H 4.592 -7.684 0.411 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG23 . . . . . . . . . c34319_6hvc 1 . 5 . 703 . 1 1 8 VAL N N 1.392 -4.689 -1.420 . . . 1.0 . . . . . . . . . . . . A . 11 VAL N . . . . . . . . . c34319_6hvc 1 . 5 . 704 . 1 1 8 VAL O O 0.225 -6.084 0.962 . . . 1.0 . . . . . . . . . . . . A . 11 VAL O . . . . . . . . . c34319_6hvc 1 . 5 . 705 . 1 1 8 VAL OXT O -0.188 -7.511 -0.623 . . . 1.0 . . . . . . . . . . . . A . 11 VAL OXT . . . . . . . . . c34319_6hvc 1 . 6 . 706 . 1 1 1 ASP C C -2.916 -5.097 -0.616 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c34319_6hvc 1 . 6 . 707 . 1 1 1 ASP CA C -3.409 -6.436 0.016 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c34319_6hvc 1 . 6 . 708 . 1 1 1 ASP CB C -4.669 -6.260 0.899 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c34319_6hvc 1 . 6 . 709 . 1 1 1 ASP CG C -5.294 -7.571 1.380 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c34319_6hvc 1 . 6 . 710 . 1 1 1 ASP H1 H -2.731 -7.901 1.302 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H1 . . . . . . . . . c34319_6hvc 1 . 6 . 711 . 1 1 1 ASP H2 H -1.457 -7.281 0.302 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H2 . . . . . . . . . c34319_6hvc 1 . 6 . 712 . 1 1 1 ASP H3 H -2.005 -6.440 1.575 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H3 . . . . . . . . . c34319_6hvc 1 . 6 . 713 . 1 1 1 ASP HA H -3.663 -7.145 -0.799 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c34319_6hvc 1 . 6 . 714 . 1 1 1 ASP HB2 H -4.455 -5.628 1.781 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c34319_6hvc 1 . 6 . 715 . 1 1 1 ASP HB3 H -5.442 -5.708 0.332 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c34319_6hvc 1 . 6 . 716 . 1 1 1 ASP N N -2.348 -7.060 0.837 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c34319_6hvc 1 . 6 . 717 . 1 1 1 ASP O O -2.416 -4.218 0.093 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c34319_6hvc 1 . 6 . 718 . 1 1 1 ASP OD1 O -4.544 -8.419 1.915 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c34319_6hvc 1 . 6 . 719 . 1 1 1 ASP OD2 O -6.513 -7.761 1.209 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c34319_6hvc 1 . 6 . 720 . 1 1 2 CYS C C -3.355 -2.549 -2.770 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c34319_6hvc 1 . 6 . 721 . 1 1 2 CYS CA C -2.430 -3.805 -2.681 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c34319_6hvc 1 . 6 . 722 . 1 1 2 CYS CB C -1.982 -4.351 -4.055 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c34319_6hvc 1 . 6 . 723 . 1 1 2 CYS H H -3.477 -5.724 -2.449 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c34319_6hvc 1 . 6 . 724 . 1 1 2 CYS HA H -1.510 -3.522 -2.145 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c34319_6hvc 1 . 6 . 725 . 1 1 2 CYS HB2 H -1.281 -5.199 -3.937 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c34319_6hvc 1 . 6 . 726 . 1 1 2 CYS HB3 H -2.850 -4.737 -4.619 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c34319_6hvc 1 . 6 . 727 . 1 1 2 CYS N N -3.039 -4.946 -1.948 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c34319_6hvc 1 . 6 . 728 . 1 1 2 CYS O O -4.472 -2.605 -3.293 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c34319_6hvc 1 . 6 . 729 . 1 1 2 CYS SG S -1.178 -3.085 -5.068 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c34319_6hvc 1 . 6 . 730 . 1 1 3 PHE C C -2.640 1.102 -2.394 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . c34319_6hvc 1 . 6 . 731 . 1 1 3 PHE CA C -3.611 -0.122 -2.200 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . c34319_6hvc 1 . 6 . 732 . 1 1 3 PHE CB C -4.551 -0.106 -0.949 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . c34319_6hvc 1 . 6 . 733 . 1 1 3 PHE CD1 C -3.371 0.731 1.161 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . c34319_6hvc 1 . 6 . 734 . 1 1 3 PHE CD2 C -4.052 -1.582 1.072 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . c34319_6hvc 1 . 6 . 735 . 1 1 3 PHE CE1 C -2.912 0.545 2.464 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . c34319_6hvc 1 . 6 . 736 . 1 1 3 PHE CE2 C -3.602 -1.765 2.378 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . c34319_6hvc 1 . 6 . 737 . 1 1 3 PHE CG C -3.952 -0.329 0.458 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . c34319_6hvc 1 . 6 . 738 . 1 1 3 PHE CZ C -3.034 -0.701 3.073 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . c34319_6hvc 1 . 6 . 739 . 1 1 3 PHE H H -1.904 -1.445 -1.869 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . c34319_6hvc 1 . 6 . 740 . 1 1 3 PHE HA H -4.273 -0.074 -3.089 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . c34319_6hvc 1 . 6 . 741 . 1 1 3 PHE HB2 H -5.135 0.832 -0.941 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . c34319_6hvc 1 . 6 . 742 . 1 1 3 PHE HB3 H -5.333 -0.872 -1.123 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . c34319_6hvc 1 . 6 . 743 . 1 1 3 PHE HD1 H -3.278 1.699 0.701 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . c34319_6hvc 1 . 6 . 744 . 1 1 3 PHE HD2 H -4.463 -2.428 0.537 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . c34319_6hvc 1 . 6 . 745 . 1 1 3 PHE HE1 H -2.461 1.366 3.001 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . c34319_6hvc 1 . 6 . 746 . 1 1 3 PHE HE2 H -3.674 -2.740 2.841 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . c34319_6hvc 1 . 6 . 747 . 1 1 3 PHE HZ H -2.672 -0.848 4.080 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . c34319_6hvc 1 . 6 . 748 . 1 1 3 PHE N N -2.868 -1.410 -2.247 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . c34319_6hvc 1 . 6 . 749 . 1 1 3 PHE O O -1.450 0.940 -2.684 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . c34319_6hvc 1 . 6 . 750 . 1 1 4 TRP C C -0.933 3.777 -2.556 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c34319_6hvc 1 . 6 . 751 . 1 1 4 TRP CA C -2.468 3.574 -2.820 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c34319_6hvc 1 . 6 . 752 . 1 1 4 TRP CB C -3.371 4.799 -2.498 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c34319_6hvc 1 . 6 . 753 . 1 1 4 TRP CD1 C -2.817 7.263 -1.805 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c34319_6hvc 1 . 6 . 754 . 1 1 4 TRP CD2 C -2.314 6.778 -3.908 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c34319_6hvc 1 . 6 . 755 . 1 1 4 TRP CE2 C -2.059 8.151 -3.667 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c34319_6hvc 1 . 6 . 756 . 1 1 4 TRP CE3 C -2.011 6.202 -5.162 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c34319_6hvc 1 . 6 . 757 . 1 1 4 TRP CG C -2.829 6.221 -2.754 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c34319_6hvc 1 . 6 . 758 . 1 1 4 TRP CH2 C -1.290 8.393 -5.948 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c34319_6hvc 1 . 6 . 759 . 1 1 4 TRP CZ2 C -1.557 8.973 -4.704 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c34319_6hvc 1 . 6 . 760 . 1 1 4 TRP CZ3 C -1.503 7.025 -6.170 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c34319_6hvc 1 . 6 . 761 . 1 1 4 TRP H H -4.154 2.364 -2.068 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c34319_6hvc 1 . 6 . 762 . 1 1 4 TRP HA H -2.488 3.447 -3.912 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c34319_6hvc 1 . 6 . 763 . 1 1 4 TRP HB2 H -4.320 4.695 -3.057 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c34319_6hvc 1 . 6 . 764 . 1 1 4 TRP HB3 H -3.674 4.742 -1.440 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c34319_6hvc 1 . 6 . 765 . 1 1 4 TRP HD1 H -3.116 7.129 -0.776 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c34319_6hvc 1 . 6 . 766 . 1 1 4 TRP HE1 H -2.342 9.403 -1.914 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c34319_6hvc 1 . 6 . 767 . 1 1 4 TRP HE3 H -2.129 5.139 -5.295 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c34319_6hvc 1 . 6 . 768 . 1 1 4 TRP HH2 H -0.912 9.008 -6.753 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c34319_6hvc 1 . 6 . 769 . 1 1 4 TRP HZ2 H -1.388 10.026 -4.538 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c34319_6hvc 1 . 6 . 770 . 1 1 4 TRP HZ3 H -1.269 6.598 -7.134 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c34319_6hvc 1 . 6 . 771 . 1 1 4 TRP N N -3.160 2.345 -2.313 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c34319_6hvc 1 . 6 . 772 . 1 1 4 TRP NE1 N -2.348 8.474 -2.352 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c34319_6hvc 1 . 6 . 773 . 1 1 4 TRP O O -0.227 3.791 -3.572 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c34319_6hvc 1 . 6 . 774 . 1 1 5 . C C 1.645 2.550 -0.491 . . . 1.0 . . . . . . . . . . . . A . 8 NMK C . . . . . . . . . c34319_6hvc 1 . 6 . 775 . 1 1 5 . CA C 1.135 3.861 -1.188 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CA . . . . . . . . . c34319_6hvc 1 . 6 . 776 . 1 1 5 . CB C 1.705 5.199 -0.620 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CB . . . . . . . . . c34319_6hvc 1 . 6 . 777 . 1 1 5 . CD C 2.325 6.547 -2.755 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CD . . . . . . . . . c34319_6hvc 1 . 6 . 778 . 1 1 5 . CE C 1.866 7.563 -3.815 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CE . . . . . . . . . c34319_6hvc 1 . 6 . 779 . 1 1 5 . CG C 1.455 6.469 -1.474 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CG . . . . . . . . . c34319_6hvc 1 . 6 . 780 . 1 1 5 . CN C -1.203 4.079 -0.097 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CN . . . . . . . . . c34319_6hvc 1 . 6 . 781 . 1 1 5 . HA H 1.587 3.783 -2.190 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HA . . . . . . . . . c34319_6hvc 1 . 6 . 782 . 1 1 5 . HB2 H 1.282 5.359 0.389 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HB2 . . . . . . . . . c34319_6hvc 1 . 6 . 783 . 1 1 5 . HB3 H 2.792 5.089 -0.450 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HB3 . . . . . . . . . c34319_6hvc 1 . 6 . 784 . 1 1 5 . HD2 H 3.385 6.713 -2.483 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HD2 . . . . . . . . . c34319_6hvc 1 . 6 . 785 . 1 1 5 . HD3 H 2.323 5.560 -3.255 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HD3 . . . . . . . . . c34319_6hvc 1 . 6 . 786 . 1 1 5 . HE2 H 2.465 7.430 -4.738 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HE2 . . . . . . . . . c34319_6hvc 1 . 6 . 787 . 1 1 5 . HE3 H 0.822 7.338 -4.114 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HE3 . . . . . . . . . c34319_6hvc 1 . 6 . 788 . 1 1 5 . HG2 H 0.379 6.527 -1.731 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HG2 . . . . . . . . . c34319_6hvc 1 . 6 . 789 . 1 1 5 . HG3 H 1.639 7.356 -0.839 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HG3 . . . . . . . . . c34319_6hvc 1 . 6 . 790 . 1 1 5 . HM1 H -2.033 3.355 -0.062 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HM1 . . . . . . . . . c34319_6hvc 1 . 6 . 791 . 1 1 5 . HM2 H -0.619 3.922 0.828 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HM2 . . . . . . . . . c34319_6hvc 1 . 6 . 792 . 1 1 5 . HM3 H -1.632 5.096 -0.038 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HM3 . . . . . . . . . c34319_6hvc 1 . 6 . 793 . 1 1 5 . HZ1 H 2.943 9.188 -3.057 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HZ1 . . . . . . . . . c34319_6hvc 1 . 6 . 794 . 1 1 5 . HZ2 H 1.694 9.648 -4.038 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HZ2 . . . . . . . . . c34319_6hvc 1 . 6 . 795 . 1 1 5 . HZ3 H 1.395 9.113 -2.506 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HZ3 . . . . . . . . . c34319_6hvc 1 . 6 . 796 . 1 1 5 . N N -0.366 3.928 -1.319 . . . 1.0 . . . . . . . . . . . . A . 8 NMK N . . . . . . . . . c34319_6hvc 1 . 6 . 797 . 1 1 5 . NZ N 1.982 8.957 -3.334 . . . 1.0 . . . . . . . . . . . . A . 8 NMK NZ . . . . . . . . . c34319_6hvc 1 . 6 . 798 . 1 1 5 . O O 2.553 2.591 0.345 . . . 1.0 . . . . . . . . . . . . A . 8 NMK O . . . . . . . . . c34319_6hvc 1 . 6 . 799 . 1 1 6 TYR C C 0.938 -1.061 -1.190 . . . 1.0 . . . . . . . . . . . . A . 9 TYR C . . . . . . . . . c34319_6hvc 1 . 6 . 800 . 1 1 6 TYR CA C 1.423 0.071 -0.231 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CA . . . . . . . . . c34319_6hvc 1 . 6 . 801 . 1 1 6 TYR CB C 0.801 -0.005 1.203 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CB . . . . . . . . . c34319_6hvc 1 . 6 . 802 . 1 1 6 TYR CD1 C -0.140 -2.279 1.771 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CD1 . . . . . . . . . c34319_6hvc 1 . 6 . 803 . 1 1 6 TYR CD2 C 2.068 -1.754 2.591 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CD2 . . . . . . . . . c34319_6hvc 1 . 6 . 804 . 1 1 6 TYR CE1 C -0.027 -3.564 2.280 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CE1 . . . . . . . . . c34319_6hvc 1 . 6 . 805 . 1 1 6 TYR CE2 C 2.181 -3.049 3.101 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CE2 . . . . . . . . . c34319_6hvc 1 . 6 . 806 . 1 1 6 TYR CG C 0.909 -1.367 1.910 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CG . . . . . . . . . c34319_6hvc 1 . 6 . 807 . 1 1 6 TYR CZ C 1.137 -3.956 2.930 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CZ . . . . . . . . . c34319_6hvc 1 . 6 . 808 . 1 1 6 TYR H H 0.266 1.477 -1.496 . . . 1.0 . . . . . . . . . . . . A . 9 TYR H . . . . . . . . . c34319_6hvc 1 . 6 . 809 . 1 1 6 TYR HA H 2.524 -0.005 -0.122 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HA . . . . . . . . . c34319_6hvc 1 . 6 . 810 . 1 1 6 TYR HB2 H 1.260 0.770 1.844 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HB2 . . . . . . . . . c34319_6hvc 1 . 6 . 811 . 1 1 6 TYR HB3 H -0.265 0.292 1.151 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HB3 . . . . . . . . . c34319_6hvc 1 . 6 . 812 . 1 1 6 TYR HD1 H -1.026 -2.017 1.211 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HD1 . . . . . . . . . c34319_6hvc 1 . 6 . 813 . 1 1 6 TYR HD2 H 2.898 -1.069 2.690 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HD2 . . . . . . . . . c34319_6hvc 1 . 6 . 814 . 1 1 6 TYR HE1 H -0.823 -4.277 2.121 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HE1 . . . . . . . . . c34319_6hvc 1 . 6 . 815 . 1 1 6 TYR HE2 H 3.094 -3.371 3.577 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HE2 . . . . . . . . . c34319_6hvc 1 . 6 . 816 . 1 1 6 TYR HH H 0.926 -5.814 2.476 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HH . . . . . . . . . c34319_6hvc 1 . 6 . 817 . 1 1 6 TYR N N 1.078 1.378 -0.856 . . . 1.0 . . . . . . . . . . . . A . 9 TYR N . . . . . . . . . c34319_6hvc 1 . 6 . 818 . 1 1 6 TYR O O -0.264 -1.332 -1.255 . . . 1.0 . . . . . . . . . . . . A . 9 TYR O . . . . . . . . . c34319_6hvc 1 . 6 . 819 . 1 1 6 TYR OH O 1.297 -5.280 3.239 . . . 1.0 . . . . . . . . . . . . A . 9 TYR OH . . . . . . . . . c34319_6hvc 1 . 6 . 820 . 1 1 7 CYS C C 2.003 -4.288 -2.288 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c34319_6hvc 1 . 6 . 821 . 1 1 7 CYS CA C 1.464 -2.903 -2.773 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c34319_6hvc 1 . 6 . 822 . 1 1 7 CYS CB C 1.791 -2.519 -4.231 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c34319_6hvc 1 . 6 . 823 . 1 1 7 CYS H H 2.820 -1.445 -1.801 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c34319_6hvc 1 . 6 . 824 . 1 1 7 CYS HA H 0.373 -3.021 -2.782 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c34319_6hvc 1 . 6 . 825 . 1 1 7 CYS HB2 H 1.568 -1.455 -4.438 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c34319_6hvc 1 . 6 . 826 . 1 1 7 CYS HB3 H 2.862 -2.670 -4.462 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c34319_6hvc 1 . 6 . 827 . 1 1 7 CYS N N 1.850 -1.759 -1.896 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c34319_6hvc 1 . 6 . 828 . 1 1 7 CYS O O 2.808 -4.927 -2.972 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c34319_6hvc 1 . 6 . 829 . 1 1 7 CYS SG S 0.770 -3.501 -5.354 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c34319_6hvc 1 . 6 . 830 . 1 1 8 VAL C C 0.676 -6.676 0.139 . . . 1.0 . . . . . . . . . . . . A . 11 VAL C . . . . . . . . . c34319_6hvc 1 . 6 . 831 . 1 1 8 VAL CA C 1.948 -6.075 -0.535 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CA . . . . . . . . . c34319_6hvc 1 . 6 . 832 . 1 1 8 VAL CB C 3.203 -5.975 0.410 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CB . . . . . . . . . c34319_6hvc 1 . 6 . 833 . 1 1 8 VAL CG1 C 3.615 -7.337 1.018 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CG1 . . . . . . . . . c34319_6hvc 1 . 6 . 834 . 1 1 8 VAL CG2 C 4.469 -5.368 -0.236 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CG2 . . . . . . . . . c34319_6hvc 1 . 6 . 835 . 1 1 8 VAL H H 0.885 -4.145 -0.613 . . . 1.0 . . . . . . . . . . . . A . 11 VAL H . . . . . . . . . c34319_6hvc 1 . 6 . 836 . 1 1 8 VAL HA H 2.204 -6.776 -1.353 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HA . . . . . . . . . c34319_6hvc 1 . 6 . 837 . 1 1 8 VAL HB H 2.927 -5.312 1.248 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HB . . . . . . . . . c34319_6hvc 1 . 6 . 838 . 1 1 8 VAL HG11 H 4.461 -7.239 1.722 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG11 . . . . . . . . . c34319_6hvc 1 . 6 . 839 . 1 1 8 VAL HG12 H 2.784 -7.787 1.594 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG12 . . . . . . . . . c34319_6hvc 1 . 6 . 840 . 1 1 8 VAL HG13 H 3.904 -8.067 0.240 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG13 . . . . . . . . . c34319_6hvc 1 . 6 . 841 . 1 1 8 VAL HG21 H 4.292 -4.327 -0.565 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG21 . . . . . . . . . c34319_6hvc 1 . 6 . 842 . 1 1 8 VAL HG22 H 5.323 -5.328 0.465 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG22 . . . . . . . . . c34319_6hvc 1 . 6 . 843 . 1 1 8 VAL HG23 H 4.790 -5.936 -1.129 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG23 . . . . . . . . . c34319_6hvc 1 . 6 . 844 . 1 1 8 VAL N N 1.544 -4.755 -1.108 . . . 1.0 . . . . . . . . . . . . A . 11 VAL N . . . . . . . . . c34319_6hvc 1 . 6 . 845 . 1 1 8 VAL O O 0.444 -6.486 1.358 . . . 1.0 . . . . . . . . . . . . A . 11 VAL O . . . . . . . . . c34319_6hvc 1 . 6 . 846 . 1 1 8 VAL OXT O -0.124 -7.346 -0.554 . . . 1.0 . . . . . . . . . . . . A . 11 VAL OXT . . . . . . . . . c34319_6hvc 1 . 7 . 847 . 1 1 1 ASP C C -2.188 -5.067 -0.859 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c34319_6hvc 1 . 7 . 848 . 1 1 1 ASP CA C -2.683 -6.283 -0.005 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c34319_6hvc 1 . 7 . 849 . 1 1 1 ASP CB C -3.911 -5.926 0.874 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c34319_6hvc 1 . 7 . 850 . 1 1 1 ASP CG C -4.593 -7.125 1.536 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c34319_6hvc 1 . 7 . 851 . 1 1 1 ASP H1 H -0.774 -7.241 0.447 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H1 . . . . . . . . . c34319_6hvc 1 . 7 . 852 . 1 1 1 ASP H2 H -1.262 -6.156 1.543 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H2 . . . . . . . . . c34319_6hvc 1 . 7 . 853 . 1 1 1 ASP H3 H -2.100 -7.570 1.494 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H3 . . . . . . . . . c34319_6hvc 1 . 7 . 854 . 1 1 1 ASP HA H -2.982 -7.083 -0.711 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c34319_6hvc 1 . 7 . 855 . 1 1 1 ASP HB2 H -3.643 -5.199 1.662 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c34319_6hvc 1 . 7 . 856 . 1 1 1 ASP HB3 H -4.674 -5.412 0.261 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c34319_6hvc 1 . 7 . 857 . 1 1 1 ASP N N -1.650 -6.849 0.901 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c34319_6hvc 1 . 7 . 858 . 1 1 1 ASP O O -1.215 -4.397 -0.500 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c34319_6hvc 1 . 7 . 859 . 1 1 1 ASP OD1 O -3.877 -7.923 2.183 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c34319_6hvc 1 . 7 . 860 . 1 1 1 ASP OD2 O -5.821 -7.283 1.394 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c34319_6hvc 1 . 7 . 861 . 1 1 2 CYS C C -3.432 -2.458 -2.840 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c34319_6hvc 1 . 7 . 862 . 1 1 2 CYS CA C -2.468 -3.680 -2.913 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c34319_6hvc 1 . 7 . 863 . 1 1 2 CYS CB C -2.293 -4.275 -4.323 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c34319_6hvc 1 . 7 . 864 . 1 1 2 CYS H H -3.676 -5.375 -2.192 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c34319_6hvc 1 . 7 . 865 . 1 1 2 CYS HA H -1.465 -3.323 -2.643 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c34319_6hvc 1 . 7 . 866 . 1 1 2 CYS HB2 H -1.721 -5.223 -4.284 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c34319_6hvc 1 . 7 . 867 . 1 1 2 CYS HB3 H -3.270 -4.522 -4.776 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c34319_6hvc 1 . 7 . 868 . 1 1 2 CYS N N -2.864 -4.781 -1.992 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c34319_6hvc 1 . 7 . 869 . 1 1 2 CYS O O -4.585 -2.519 -3.280 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c34319_6hvc 1 . 7 . 870 . 1 1 2 CYS SG S -1.382 -3.157 -5.423 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c34319_6hvc 1 . 7 . 871 . 1 1 3 PHE C C -2.740 1.165 -2.311 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . c34319_6hvc 1 . 7 . 872 . 1 1 3 PHE CA C -3.696 -0.071 -2.130 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . c34319_6hvc 1 . 7 . 873 . 1 1 3 PHE CB C -4.576 -0.120 -0.839 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . c34319_6hvc 1 . 7 . 874 . 1 1 3 PHE CD1 C -3.382 0.686 1.273 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . c34319_6hvc 1 . 7 . 875 . 1 1 3 PHE CD2 C -3.890 -1.666 1.074 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . c34319_6hvc 1 . 7 . 876 . 1 1 3 PHE CE1 C -2.863 0.466 2.547 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . c34319_6hvc 1 . 7 . 877 . 1 1 3 PHE CE2 C -3.387 -1.883 2.355 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . c34319_6hvc 1 . 7 . 878 . 1 1 3 PHE CG C -3.906 -0.375 0.529 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . c34319_6hvc 1 . 7 . 879 . 1 1 3 PHE CZ C -2.873 -0.817 3.090 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . c34319_6hvc 1 . 7 . 880 . 1 1 3 PHE H H -1.951 -1.379 -1.971 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . c34319_6hvc 1 . 7 . 881 . 1 1 3 PHE HA H -4.398 0.011 -2.986 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . c34319_6hvc 1 . 7 . 882 . 1 1 3 PHE HB2 H -5.177 0.804 -0.774 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . c34319_6hvc 1 . 7 . 883 . 1 1 3 PHE HB3 H -5.349 -0.898 -1.001 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . c34319_6hvc 1 . 7 . 884 . 1 1 3 PHE HD1 H -3.387 1.686 0.871 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . c34319_6hvc 1 . 7 . 885 . 1 1 3 PHE HD2 H -4.266 -2.507 0.508 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . c34319_6hvc 1 . 7 . 886 . 1 1 3 PHE HE1 H -2.459 1.289 3.118 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . c34319_6hvc 1 . 7 . 887 . 1 1 3 PHE HE2 H -3.379 -2.880 2.771 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . c34319_6hvc 1 . 7 . 888 . 1 1 3 PHE HZ H -2.468 -0.990 4.076 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . c34319_6hvc 1 . 7 . 889 . 1 1 3 PHE N N -2.943 -1.346 -2.269 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . c34319_6hvc 1 . 7 . 890 . 1 1 3 PHE O O -1.556 1.019 -2.635 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . c34319_6hvc 1 . 7 . 891 . 1 1 4 TRP C C -1.040 3.826 -2.494 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c34319_6hvc 1 . 7 . 892 . 1 1 4 TRP CA C -2.593 3.653 -2.657 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c34319_6hvc 1 . 7 . 893 . 1 1 4 TRP CB C -3.460 4.868 -2.213 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c34319_6hvc 1 . 7 . 894 . 1 1 4 TRP CD1 C -2.826 7.253 -1.338 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c34319_6hvc 1 . 7 . 895 . 1 1 4 TRP CD2 C -2.366 6.926 -3.482 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c34319_6hvc 1 . 7 . 896 . 1 1 4 TRP CE2 C -2.031 8.257 -3.124 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c34319_6hvc 1 . 7 . 897 . 1 1 4 TRP CE3 C -2.098 6.447 -4.783 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c34319_6hvc 1 . 7 . 898 . 1 1 4 TRP CG C -2.896 6.297 -2.371 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c34319_6hvc 1 . 7 . 899 . 1 1 4 TRP CH2 C -1.227 8.644 -5.372 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c34319_6hvc 1 . 7 . 900 . 1 1 4 TRP CZ2 C -1.467 9.130 -4.083 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c34319_6hvc 1 . 7 . 901 . 1 1 4 TRP CZ3 C -1.531 7.320 -5.713 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c34319_6hvc 1 . 7 . 902 . 1 1 4 TRP H H -4.253 2.405 -1.908 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c34319_6hvc 1 . 7 . 903 . 1 1 4 TRP HA H -2.687 3.591 -3.751 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c34319_6hvc 1 . 7 . 904 . 1 1 4 TRP HB2 H -4.429 4.824 -2.743 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c34319_6hvc 1 . 7 . 905 . 1 1 4 TRP HB3 H -3.726 4.733 -1.151 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c34319_6hvc 1 . 7 . 906 . 1 1 4 TRP HD1 H -3.103 7.040 -0.318 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c34319_6hvc 1 . 7 . 907 . 1 1 4 TRP HE1 H -2.244 9.368 -1.268 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c34319_6hvc 1 . 7 . 908 . 1 1 4 TRP HE3 H -2.290 5.411 -5.015 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c34319_6hvc 1 . 7 . 909 . 1 1 4 TRP HH2 H -0.805 9.301 -6.120 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c34319_6hvc 1 . 7 . 910 . 1 1 4 TRP HZ2 H -1.232 10.153 -3.826 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c34319_6hvc 1 . 7 . 911 . 1 1 4 TRP HZ3 H -1.321 6.964 -6.713 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c34319_6hvc 1 . 7 . 912 . 1 1 4 TRP N N -3.266 2.401 -2.179 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c34319_6hvc 1 . 7 . 913 . 1 1 4 TRP NE1 N -2.302 8.483 -1.785 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c34319_6hvc 1 . 7 . 914 . 1 1 4 TRP O O -0.407 3.881 -3.556 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c34319_6hvc 1 . 7 . 915 . 1 1 5 . C C 1.682 2.521 -0.661 . . . 1.0 . . . . . . . . . . . . A . 8 NMK C . . . . . . . . . c34319_6hvc 1 . 7 . 916 . 1 1 5 . CA C 1.121 3.852 -1.278 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CA . . . . . . . . . c34319_6hvc 1 . 7 . 917 . 1 1 5 . CB C 1.727 5.171 -0.710 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CB . . . . . . . . . c34319_6hvc 1 . 7 . 918 . 1 1 5 . CD C 2.156 7.692 -1.083 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CD . . . . . . . . . c34319_6hvc 1 . 7 . 919 . 1 1 5 . CE C 1.745 9.002 -1.780 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CE . . . . . . . . . c34319_6hvc 1 . 7 . 920 . 1 1 5 . CG C 1.338 6.449 -1.494 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CG . . . . . . . . . c34319_6hvc 1 . 7 . 921 . 1 1 5 . CN C -1.132 3.957 -0.008 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CN . . . . . . . . . c34319_6hvc 1 . 7 . 922 . 1 1 5 . HA H 1.505 3.822 -2.311 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HA . . . . . . . . . c34319_6hvc 1 . 7 . 923 . 1 1 5 . HB2 H 1.446 5.282 0.353 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HB2 . . . . . . . . . c34319_6hvc 1 . 7 . 924 . 1 1 5 . HB3 H 2.828 5.067 -0.714 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HB3 . . . . . . . . . c34319_6hvc 1 . 7 . 925 . 1 1 5 . HD2 H 2.044 7.836 0.009 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HD2 . . . . . . . . . c34319_6hvc 1 . 7 . 926 . 1 1 5 . HD3 H 3.237 7.501 -1.228 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HD3 . . . . . . . . . c34319_6hvc 1 . 7 . 927 . 1 1 5 . HE2 H 0.664 9.198 -1.620 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HE2 . . . . . . . . . c34319_6hvc 1 . 7 . 928 . 1 1 5 . HE3 H 2.270 9.853 -1.299 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HE3 . . . . . . . . . c34319_6hvc 1 . 7 . 929 . 1 1 5 . HG2 H 1.448 6.247 -2.577 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HG2 . . . . . . . . . c34319_6hvc 1 . 7 . 930 . 1 1 5 . HG3 H 0.255 6.643 -1.350 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HG3 . . . . . . . . . c34319_6hvc 1 . 7 . 931 . 1 1 5 . HM1 H -1.874 3.145 0.066 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HM1 . . . . . . . . . c34319_6hvc 1 . 7 . 932 . 1 1 5 . HM2 H -0.464 3.850 0.865 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HM2 . . . . . . . . . c34319_6hvc 1 . 7 . 933 . 1 1 5 . HM3 H -1.658 4.922 0.112 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HM3 . . . . . . . . . c34319_6hvc 1 . 7 . 934 . 1 1 5 . HZ1 H 1.855 9.864 -3.701 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HZ1 . . . . . . . . . c34319_6hvc 1 . 7 . 935 . 1 1 5 . HZ2 H 3.044 8.756 -3.403 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HZ2 . . . . . . . . . c34319_6hvc 1 . 7 . 936 . 1 1 5 . HZ3 H 1.511 8.251 -3.712 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HZ3 . . . . . . . . . c34319_6hvc 1 . 7 . 937 . 1 1 5 . N N -0.386 3.910 -1.295 . . . 1.0 . . . . . . . . . . . . A . 8 NMK N . . . . . . . . . c34319_6hvc 1 . 7 . 938 . 1 1 5 . NZ N 2.057 8.976 -3.228 . . . 1.0 . . . . . . . . . . . . A . 8 NMK NZ . . . . . . . . . c34319_6hvc 1 . 7 . 939 . 1 1 5 . O O 2.625 2.544 0.135 . . . 1.0 . . . . . . . . . . . . A . 8 NMK O . . . . . . . . . c34319_6hvc 1 . 7 . 940 . 1 1 6 TYR C C 0.953 -1.113 -1.310 . . . 1.0 . . . . . . . . . . . . A . 9 TYR C . . . . . . . . . c34319_6hvc 1 . 7 . 941 . 1 1 6 TYR CA C 1.417 0.052 -0.378 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CA . . . . . . . . . c34319_6hvc 1 . 7 . 942 . 1 1 6 TYR CB C 0.747 0.012 1.036 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CB . . . . . . . . . c34319_6hvc 1 . 7 . 943 . 1 1 6 TYR CD1 C -0.032 -2.311 1.647 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CD1 . . . . . . . . . c34319_6hvc 1 . 7 . 944 . 1 1 6 TYR CD2 C 2.007 -1.520 2.667 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CD2 . . . . . . . . . c34319_6hvc 1 . 7 . 945 . 1 1 6 TYR CE1 C 0.122 -3.536 2.279 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CE1 . . . . . . . . . c34319_6hvc 1 . 7 . 946 . 1 1 6 TYR CE2 C 2.159 -2.754 3.303 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CE2 . . . . . . . . . c34319_6hvc 1 . 7 . 947 . 1 1 6 TYR CG C 0.911 -1.298 1.824 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CG . . . . . . . . . c34319_6hvc 1 . 7 . 948 . 1 1 6 TYR CZ C 1.222 -3.764 3.095 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CZ . . . . . . . . . c34319_6hvc 1 . 7 . 949 . 1 1 6 TYR H H 0.255 1.471 -1.620 . . . 1.0 . . . . . . . . . . . . A . 9 TYR H . . . . . . . . . c34319_6hvc 1 . 7 . 950 . 1 1 6 TYR HA H 2.515 -0.023 -0.231 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HA . . . . . . . . . c34319_6hvc 1 . 7 . 951 . 1 1 6 TYR HB2 H 1.133 0.848 1.649 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HB2 . . . . . . . . . c34319_6hvc 1 . 7 . 952 . 1 1 6 TYR HB3 H -0.333 0.239 0.931 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HB3 . . . . . . . . . c34319_6hvc 1 . 7 . 953 . 1 1 6 TYR HD1 H -0.871 -2.168 0.981 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HD1 . . . . . . . . . c34319_6hvc 1 . 7 . 954 . 1 1 6 TYR HD2 H 2.754 -0.752 2.806 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HD2 . . . . . . . . . c34319_6hvc 1 . 7 . 955 . 1 1 6 TYR HE1 H -0.592 -4.323 2.105 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HE1 . . . . . . . . . c34319_6hvc 1 . 7 . 956 . 1 1 6 TYR HE2 H 3.026 -2.948 3.918 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HE2 . . . . . . . . . c34319_6hvc 1 . 7 . 957 . 1 1 6 TYR HH H 1.347 -5.664 2.794 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HH . . . . . . . . . c34319_6hvc 1 . 7 . 958 . 1 1 6 TYR N N 1.099 1.356 -1.026 . . . 1.0 . . . . . . . . . . . . A . 9 TYR N . . . . . . . . . c34319_6hvc 1 . 7 . 959 . 1 1 6 TYR O O -0.252 -1.320 -1.479 . . . 1.0 . . . . . . . . . . . . A . 9 TYR O . . . . . . . . . c34319_6hvc 1 . 7 . 960 . 1 1 6 TYR OH O 1.434 -5.031 3.569 . . . 1.0 . . . . . . . . . . . . A . 9 TYR OH . . . . . . . . . c34319_6hvc 1 . 7 . 961 . 1 1 7 CYS C C 2.406 -4.411 -2.060 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c34319_6hvc 1 . 7 . 962 . 1 1 7 CYS CA C 1.530 -3.207 -2.521 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c34319_6hvc 1 . 7 . 963 . 1 1 7 CYS CB C 1.440 -2.983 -4.049 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c34319_6hvc 1 . 7 . 964 . 1 1 7 CYS H H 2.856 -1.653 -1.666 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c34319_6hvc 1 . 7 . 965 . 1 1 7 CYS HA H 0.519 -3.519 -2.214 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c34319_6hvc 1 . 7 . 966 . 1 1 7 CYS HB2 H 2.337 -2.468 -4.444 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c34319_6hvc 1 . 7 . 967 . 1 1 7 CYS HB3 H 1.374 -3.947 -4.586 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c34319_6hvc 1 . 7 . 968 . 1 1 7 CYS N N 1.885 -1.923 -1.848 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c34319_6hvc 1 . 7 . 969 . 1 1 7 CYS O O 3.247 -4.917 -2.810 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c34319_6hvc 1 . 7 . 970 . 1 1 7 CYS SG S -0.050 -2.029 -4.424 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c34319_6hvc 1 . 7 . 971 . 1 1 8 VAL C C 1.453 -6.829 0.491 . . . 1.0 . . . . . . . . . . . . A . 11 VAL C . . . . . . . . . c34319_6hvc 1 . 7 . 972 . 1 1 8 VAL CA C 2.615 -6.224 -0.349 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CA . . . . . . . . . c34319_6hvc 1 . 7 . 973 . 1 1 8 VAL CB C 4.020 -6.228 0.358 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CB . . . . . . . . . c34319_6hvc 1 . 7 . 974 . 1 1 8 VAL CG1 C 5.193 -6.078 -0.633 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CG1 . . . . . . . . . c34319_6hvc 1 . 7 . 975 . 1 1 8 VAL CG2 C 4.223 -5.207 1.500 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CG2 . . . . . . . . . c34319_6hvc 1 . 7 . 976 . 1 1 8 VAL H H 1.383 -4.424 -0.331 . . . 1.0 . . . . . . . . . . . . A . 11 VAL H . . . . . . . . . c34319_6hvc 1 . 7 . 977 . 1 1 8 VAL HA H 2.698 -6.911 -1.216 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HA . . . . . . . . . c34319_6hvc 1 . 7 . 978 . 1 1 8 VAL HB H 4.123 -7.232 0.810 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HB . . . . . . . . . c34319_6hvc 1 . 7 . 979 . 1 1 8 VAL HG11 H 6.172 -6.239 -0.145 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG11 . . . . . . . . . c34319_6hvc 1 . 7 . 980 . 1 1 8 VAL HG12 H 5.122 -6.805 -1.463 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG12 . . . . . . . . . c34319_6hvc 1 . 7 . 981 . 1 1 8 VAL HG13 H 5.215 -5.071 -1.090 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG13 . . . . . . . . . c34319_6hvc 1 . 7 . 982 . 1 1 8 VAL HG21 H 4.041 -4.169 1.165 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG21 . . . . . . . . . c34319_6hvc 1 . 7 . 983 . 1 1 8 VAL HG22 H 3.529 -5.405 2.333 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG22 . . . . . . . . . c34319_6hvc 1 . 7 . 984 . 1 1 8 VAL HG23 H 5.239 -5.248 1.930 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG23 . . . . . . . . . c34319_6hvc 1 . 7 . 985 . 1 1 8 VAL N N 2.140 -4.899 -0.834 . . . 1.0 . . . . . . . . . . . . A . 11 VAL N . . . . . . . . . c34319_6hvc 1 . 7 . 986 . 1 1 8 VAL O O 1.253 -6.479 1.680 . . . 1.0 . . . . . . . . . . . . A . 11 VAL O . . . . . . . . . c34319_6hvc 1 . 7 . 987 . 1 1 8 VAL OXT O 0.665 -7.628 -0.070 . . . 1.0 . . . . . . . . . . . . A . 11 VAL OXT . . . . . . . . . c34319_6hvc 1 . 8 . 988 . 1 1 1 ASP C C -2.160 -5.145 -0.908 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c34319_6hvc 1 . 8 . 989 . 1 1 1 ASP CA C -2.732 -6.291 -0.010 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c34319_6hvc 1 . 8 . 990 . 1 1 1 ASP CB C -3.546 -5.746 1.189 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c34319_6hvc 1 . 8 . 991 . 1 1 1 ASP CG C -4.312 -6.805 1.981 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c34319_6hvc 1 . 8 . 992 . 1 1 1 ASP H1 H -1.279 -7.878 -0.135 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H1 . . . . . . . . . c34319_6hvc 1 . 8 . 993 . 1 1 1 ASP H2 H -0.835 -6.767 0.914 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H2 . . . . . . . . . c34319_6hvc 1 . 8 . 994 . 1 1 1 ASP H3 H -2.134 -7.737 1.319 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H3 . . . . . . . . . c34319_6hvc 1 . 8 . 995 . 1 1 1 ASP HA H -3.423 -6.899 -0.631 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c34319_6hvc 1 . 8 . 996 . 1 1 1 ASP HB2 H -2.898 -5.193 1.893 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c34319_6hvc 1 . 8 . 997 . 1 1 1 ASP HB3 H -4.283 -5.002 0.833 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c34319_6hvc 1 . 8 . 998 . 1 1 1 ASP N N -1.701 -7.217 0.530 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c34319_6hvc 1 . 8 . 999 . 1 1 1 ASP O O -1.072 -4.626 -0.644 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c34319_6hvc 1 . 8 . 1000 . 1 1 1 ASP OD1 O -5.533 -6.655 2.180 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c34319_6hvc 1 . 8 . 1001 . 1 1 1 ASP OD2 O -3.676 -7.806 2.381 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c34319_6hvc 1 . 8 . 1002 . 1 1 2 CYS C C -3.407 -2.448 -2.888 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c34319_6hvc 1 . 8 . 1003 . 1 1 2 CYS CA C -2.457 -3.684 -2.914 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c34319_6hvc 1 . 8 . 1004 . 1 1 2 CYS CB C -2.275 -4.336 -4.299 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c34319_6hvc 1 . 8 . 1005 . 1 1 2 CYS H H -3.789 -5.234 -2.103 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c34319_6hvc 1 . 8 . 1006 . 1 1 2 CYS HA H -1.456 -3.331 -2.638 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c34319_6hvc 1 . 8 . 1007 . 1 1 2 CYS HB2 H -1.743 -5.303 -4.208 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c34319_6hvc 1 . 8 . 1008 . 1 1 2 CYS HB3 H -3.252 -4.568 -4.758 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c34319_6hvc 1 . 8 . 1009 . 1 1 2 CYS N N -2.900 -4.744 -1.965 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c34319_6hvc 1 . 8 . 1010 . 1 1 2 CYS O O -4.551 -2.505 -3.347 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c34319_6hvc 1 . 8 . 1011 . 1 1 2 CYS SG S -1.304 -3.308 -5.435 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c34319_6hvc 1 . 8 . 1012 . 1 1 3 PHE C C -2.748 1.186 -2.286 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . c34319_6hvc 1 . 8 . 1013 . 1 1 3 PHE CA C -3.687 -0.068 -2.153 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . c34319_6hvc 1 . 8 . 1014 . 1 1 3 PHE CB C -4.579 -0.160 -0.871 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . c34319_6hvc 1 . 8 . 1015 . 1 1 3 PHE CD1 C -3.394 0.611 1.259 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . c34319_6hvc 1 . 8 . 1016 . 1 1 3 PHE CD2 C -3.936 -1.730 1.038 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . c34319_6hvc 1 . 8 . 1017 . 1 1 3 PHE CE1 C -2.903 0.376 2.542 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . c34319_6hvc 1 . 8 . 1018 . 1 1 3 PHE CE2 C -3.465 -1.961 2.328 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . c34319_6hvc 1 . 8 . 1019 . 1 1 3 PHE CG C -3.922 -0.437 0.500 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . c34319_6hvc 1 . 8 . 1020 . 1 1 3 PHE CZ C -2.948 -0.908 3.078 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . c34319_6hvc 1 . 8 . 1021 . 1 1 3 PHE H H -1.930 -1.365 -2.015 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . c34319_6hvc 1 . 8 . 1022 . 1 1 3 PHE HA H -4.381 0.025 -3.014 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . c34319_6hvc 1 . 8 . 1023 . 1 1 3 PHE HB2 H -5.192 0.755 -0.791 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . c34319_6hvc 1 . 8 . 1024 . 1 1 3 PHE HB3 H -5.341 -0.942 -1.060 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . c34319_6hvc 1 . 8 . 1025 . 1 1 3 PHE HD1 H -3.373 1.613 0.863 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . c34319_6hvc 1 . 8 . 1026 . 1 1 3 PHE HD2 H -4.309 -2.565 0.460 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . c34319_6hvc 1 . 8 . 1027 . 1 1 3 PHE HE1 H -2.495 1.190 3.124 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . c34319_6hvc 1 . 8 . 1028 . 1 1 3 PHE HE2 H -3.486 -2.959 2.742 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . c34319_6hvc 1 . 8 . 1029 . 1 1 3 PHE HZ H -2.567 -1.093 4.072 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . c34319_6hvc 1 . 8 . 1030 . 1 1 3 PHE N N -2.920 -1.333 -2.318 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . c34319_6hvc 1 . 8 . 1031 . 1 1 3 PHE O O -1.548 1.064 -2.554 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . c34319_6hvc 1 . 8 . 1032 . 1 1 4 TRP C C -1.087 3.873 -2.462 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c34319_6hvc 1 . 8 . 1033 . 1 1 4 TRP CA C -2.649 3.693 -2.573 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c34319_6hvc 1 . 8 . 1034 . 1 1 4 TRP CB C -3.509 4.868 -2.012 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c34319_6hvc 1 . 8 . 1035 . 1 1 4 TRP CD1 C -2.799 7.116 -0.865 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c34319_6hvc 1 . 8 . 1036 . 1 1 4 TRP CD2 C -2.369 7.034 -3.039 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c34319_6hvc 1 . 8 . 1037 . 1 1 4 TRP CE2 C -1.943 8.283 -2.518 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c34319_6hvc 1 . 8 . 1038 . 1 1 4 TRP CE3 C -2.096 6.688 -4.379 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c34319_6hvc 1 . 8 . 1039 . 1 1 4 TRP CG C -2.929 6.301 -2.009 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c34319_6hvc 1 . 8 . 1040 . 1 1 4 TRP CH2 C -1.037 8.858 -4.686 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c34319_6hvc 1 . 8 . 1041 . 1 1 4 TRP CZ2 C -1.271 9.207 -3.353 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c34319_6hvc 1 . 8 . 1042 . 1 1 4 TRP CZ3 C -1.437 7.614 -5.191 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c34319_6hvc 1 . 8 . 1043 . 1 1 4 TRP H H -4.306 2.382 -1.935 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c34319_6hvc 1 . 8 . 1044 . 1 1 4 TRP HA H -2.795 3.702 -3.666 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c34319_6hvc 1 . 8 . 1045 . 1 1 4 TRP HB2 H -4.472 4.891 -2.554 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c34319_6hvc 1 . 8 . 1046 . 1 1 4 TRP HB3 H -3.791 4.629 -0.973 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c34319_6hvc 1 . 8 . 1047 . 1 1 4 TRP HD1 H -3.048 6.780 0.129 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c34319_6hvc 1 . 8 . 1048 . 1 1 4 TRP HE1 H -1.997 9.137 -0.527 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c34319_6hvc 1 . 8 . 1049 . 1 1 4 TRP HE3 H -2.331 5.692 -4.722 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c34319_6hvc 1 . 8 . 1050 . 1 1 4 TRP HH2 H -0.519 9.552 -5.334 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c34319_6hvc 1 . 8 . 1051 . 1 1 4 TRP HZ2 H -0.933 10.156 -2.964 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c34319_6hvc 1 . 8 . 1052 . 1 1 4 TRP HZ3 H -1.210 7.355 -6.215 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c34319_6hvc 1 . 8 . 1053 . 1 1 4 TRP N N -3.307 2.409 -2.160 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c34319_6hvc 1 . 8 . 1054 . 1 1 4 TRP NE1 N -2.205 8.358 -1.161 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c34319_6hvc 1 . 8 . 1055 . 1 1 4 TRP O O -0.498 3.983 -3.543 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c34319_6hvc 1 . 8 . 1056 . 1 1 5 . C C 1.698 2.495 -0.697 . . . 1.0 . . . . . . . . . . . . A . 8 NMK C . . . . . . . . . c34319_6hvc 1 . 8 . 1057 . 1 1 5 . CA C 1.123 3.812 -1.326 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CA . . . . . . . . . c34319_6hvc 1 . 8 . 1058 . 1 1 5 . CB C 1.817 5.156 -0.942 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CB . . . . . . . . . c34319_6hvc 1 . 8 . 1059 . 1 1 5 . CD C 2.514 6.913 0.791 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CD . . . . . . . . . c34319_6hvc 1 . 8 . 1060 . 1 1 5 . CE C 2.323 7.448 2.220 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CE . . . . . . . . . c34319_6hvc 1 . 8 . 1061 . 1 1 5 . CG C 1.615 5.696 0.490 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CG . . . . . . . . . c34319_6hvc 1 . 8 . 1062 . 1 1 5 . CN C -1.089 3.773 0.022 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CN . . . . . . . . . c34319_6hvc 1 . 8 . 1063 . 1 1 5 . HA H 1.438 3.700 -2.378 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HA . . . . . . . . . c34319_6hvc 1 . 8 . 1064 . 1 1 5 . HB2 H 2.902 5.038 -1.135 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HB2 . . . . . . . . . c34319_6hvc 1 . 8 . 1065 . 1 1 5 . HB3 H 1.491 5.931 -1.663 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HB3 . . . . . . . . . c34319_6hvc 1 . 8 . 1066 . 1 1 5 . HD2 H 3.572 6.625 0.630 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HD2 . . . . . . . . . c34319_6hvc 1 . 8 . 1067 . 1 1 5 . HD3 H 2.302 7.709 0.050 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HD3 . . . . . . . . . c34319_6hvc 1 . 8 . 1068 . 1 1 5 . HE2 H 1.266 7.747 2.380 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HE2 . . . . . . . . . c34319_6hvc 1 . 8 . 1069 . 1 1 5 . HE3 H 2.526 6.647 2.961 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HE3 . . . . . . . . . c34319_6hvc 1 . 8 . 1070 . 1 1 5 . HG2 H 0.550 5.973 0.618 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HG2 . . . . . . . . . c34319_6hvc 1 . 8 . 1071 . 1 1 5 . HG3 H 1.811 4.882 1.215 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HG3 . . . . . . . . . c34319_6hvc 1 . 8 . 1072 . 1 1 5 . HM1 H -1.719 2.868 0.051 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HM1 . . . . . . . . . c34319_6hvc 1 . 8 . 1073 . 1 1 5 . HM2 H -0.389 3.682 0.873 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HM2 . . . . . . . . . c34319_6hvc 1 . 8 . 1074 . 1 1 5 . HM3 H -1.729 4.648 0.234 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HM3 . . . . . . . . . c34319_6hvc 1 . 8 . 1075 . 1 1 5 . HZ1 H 4.211 8.341 2.335 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HZ1 . . . . . . . . . c34319_6hvc 1 . 8 . 1076 . 1 1 5 . HZ2 H 3.044 9.365 1.792 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HZ2 . . . . . . . . . c34319_6hvc 1 . 8 . 1077 . 1 1 5 . HZ3 H 3.130 8.993 3.396 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HZ3 . . . . . . . . . c34319_6hvc 1 . 8 . 1078 . 1 1 5 . N N -0.385 3.906 -1.284 . . . 1.0 . . . . . . . . . . . . A . 8 NMK N . . . . . . . . . c34319_6hvc 1 . 8 . 1079 . 1 1 5 . NZ N 3.223 8.600 2.453 . . . 1.0 . . . . . . . . . . . . A . 8 NMK NZ . . . . . . . . . c34319_6hvc 1 . 8 . 1080 . 1 1 5 . O O 2.639 2.526 0.103 . . . 1.0 . . . . . . . . . . . . A . 8 NMK O . . . . . . . . . c34319_6hvc 1 . 8 . 1081 . 1 1 6 TYR C C 0.964 -1.127 -1.360 . . . 1.0 . . . . . . . . . . . . A . 9 TYR C . . . . . . . . . c34319_6hvc 1 . 8 . 1082 . 1 1 6 TYR CA C 1.417 0.029 -0.412 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CA . . . . . . . . . c34319_6hvc 1 . 8 . 1083 . 1 1 6 TYR CB C 0.725 -0.019 0.991 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CB . . . . . . . . . c34319_6hvc 1 . 8 . 1084 . 1 1 6 TYR CD1 C -0.124 -2.332 1.557 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CD1 . . . . . . . . . c34319_6hvc 1 . 8 . 1085 . 1 1 6 TYR CD2 C 1.932 -1.617 2.599 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CD2 . . . . . . . . . c34319_6hvc 1 . 8 . 1086 . 1 1 6 TYR CE1 C -0.003 -3.574 2.163 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CE1 . . . . . . . . . c34319_6hvc 1 . 8 . 1087 . 1 1 6 TYR CE2 C 2.054 -2.871 3.203 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CE2 . . . . . . . . . c34319_6hvc 1 . 8 . 1088 . 1 1 6 TYR CG C 0.846 -1.346 1.761 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CG . . . . . . . . . c34319_6hvc 1 . 8 . 1089 . 1 1 6 TYR CZ C 1.090 -3.851 2.970 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CZ . . . . . . . . . c34319_6hvc 1 . 8 . 1090 . 1 1 6 TYR H H 0.257 1.458 -1.644 . . . 1.0 . . . . . . . . . . . . A . 9 TYR H . . . . . . . . . c34319_6hvc 1 . 8 . 1091 . 1 1 6 TYR HA H 2.513 -0.049 -0.249 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HA . . . . . . . . . c34319_6hvc 1 . 8 . 1092 . 1 1 6 TYR HB2 H 1.120 0.798 1.623 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HB2 . . . . . . . . . c34319_6hvc 1 . 8 . 1093 . 1 1 6 TYR HB3 H -0.348 0.233 0.875 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HB3 . . . . . . . . . c34319_6hvc 1 . 8 . 1094 . 1 1 6 TYR HD1 H -0.956 -2.155 0.888 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HD1 . . . . . . . . . c34319_6hvc 1 . 8 . 1095 . 1 1 6 TYR HD2 H 2.702 -0.875 2.753 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HD2 . . . . . . . . . c34319_6hvc 1 . 8 . 1096 . 1 1 6 TYR HE1 H -0.729 -4.344 1.961 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HE1 . . . . . . . . . c34319_6hvc 1 . 8 . 1097 . 1 1 6 TYR HE2 H 2.918 -3.104 3.808 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HE2 . . . . . . . . . c34319_6hvc 1 . 8 . 1098 . 1 1 6 TYR HH H 1.054 -5.745 2.623 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HH . . . . . . . . . c34319_6hvc 1 . 8 . 1099 . 1 1 6 TYR N N 1.108 1.333 -1.059 . . . 1.0 . . . . . . . . . . . . A . 9 TYR N . . . . . . . . . c34319_6hvc 1 . 8 . 1100 . 1 1 6 TYR O O -0.237 -1.334 -1.547 . . . 1.0 . . . . . . . . . . . . A . 9 TYR O . . . . . . . . . c34319_6hvc 1 . 8 . 1101 . 1 1 6 TYR OH O 1.284 -5.141 3.387 . . . 1.0 . . . . . . . . . . . . A . 9 TYR OH . . . . . . . . . c34319_6hvc 1 . 8 . 1102 . 1 1 7 CYS C C 2.437 -4.402 -1.919 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c34319_6hvc 1 . 8 . 1103 . 1 1 7 CYS CA C 1.563 -3.252 -2.500 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c34319_6hvc 1 . 8 . 1104 . 1 1 7 CYS CB C 1.519 -3.120 -4.038 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c34319_6hvc 1 . 8 . 1105 . 1 1 7 CYS H H 2.870 -1.661 -1.693 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c34319_6hvc 1 . 8 . 1106 . 1 1 7 CYS HA H 0.537 -3.539 -2.224 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c34319_6hvc 1 . 8 . 1107 . 1 1 7 CYS HB2 H 2.432 -2.640 -4.438 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c34319_6hvc 1 . 8 . 1108 . 1 1 7 CYS HB3 H 1.450 -4.114 -4.517 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c34319_6hvc 1 . 8 . 1109 . 1 1 7 CYS N N 1.902 -1.934 -1.886 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c34319_6hvc 1 . 8 . 1110 . 1 1 7 CYS O O 3.448 -4.804 -2.501 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c34319_6hvc 1 . 8 . 1111 . 1 1 7 CYS SG S 0.051 -2.162 -4.485 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c34319_6hvc 1 . 8 . 1112 . 1 1 8 VAL C C 1.373 -6.903 0.440 . . . 1.0 . . . . . . . . . . . . A . 11 VAL C . . . . . . . . . c34319_6hvc 1 . 8 . 1113 . 1 1 8 VAL CA C 2.603 -6.117 -0.103 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CA . . . . . . . . . c34319_6hvc 1 . 8 . 1114 . 1 1 8 VAL CB C 3.684 -5.759 0.978 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CB . . . . . . . . . c34319_6hvc 1 . 8 . 1115 . 1 1 8 VAL CG1 C 4.232 -6.996 1.721 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CG1 . . . . . . . . . c34319_6hvc 1 . 8 . 1116 . 1 1 8 VAL CG2 C 4.892 -4.960 0.439 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CG2 . . . . . . . . . c34319_6hvc 1 . 8 . 1117 . 1 1 8 VAL H H 1.097 -4.569 -0.429 . . . 1.0 . . . . . . . . . . . . A . 11 VAL H . . . . . . . . . c34319_6hvc 1 . 8 . 1118 . 1 1 8 VAL HA H 3.078 -6.767 -0.862 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HA . . . . . . . . . c34319_6hvc 1 . 8 . 1119 . 1 1 8 VAL HB H 3.195 -5.121 1.731 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HB . . . . . . . . . c34319_6hvc 1 . 8 . 1120 . 1 1 8 VAL HG11 H 4.736 -7.702 1.035 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG11 . . . . . . . . . c34319_6hvc 1 . 8 . 1121 . 1 1 8 VAL HG12 H 4.952 -6.719 2.513 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG12 . . . . . . . . . c34319_6hvc 1 . 8 . 1122 . 1 1 8 VAL HG13 H 3.418 -7.553 2.223 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG13 . . . . . . . . . c34319_6hvc 1 . 8 . 1123 . 1 1 8 VAL HG21 H 4.573 -3.989 0.015 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG21 . . . . . . . . . c34319_6hvc 1 . 8 . 1124 . 1 1 8 VAL HG22 H 5.626 -4.725 1.232 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG22 . . . . . . . . . c34319_6hvc 1 . 8 . 1125 . 1 1 8 VAL HG23 H 5.422 -5.503 -0.366 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG23 . . . . . . . . . c34319_6hvc 1 . 8 . 1126 . 1 1 8 VAL N N 2.010 -4.917 -0.750 . . . 1.0 . . . . . . . . . . . . A . 11 VAL N . . . . . . . . . c34319_6hvc 1 . 8 . 1127 . 1 1 8 VAL O O 0.949 -7.886 -0.210 . . . 1.0 . . . . . . . . . . . . A . 11 VAL O . . . . . . . . . c34319_6hvc 1 . 8 . 1128 . 1 1 8 VAL OXT O 0.770 -6.525 1.480 . . . 1.0 . . . . . . . . . . . . A . 11 VAL OXT . . . . . . . . . c34319_6hvc 1 . 9 . 1129 . 1 1 1 ASP C C -3.161 -5.339 -1.084 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c34319_6hvc 1 . 9 . 1130 . 1 1 1 ASP CA C -3.558 -6.814 -0.769 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c34319_6hvc 1 . 9 . 1131 . 1 1 1 ASP CB C -4.998 -6.949 -0.212 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c34319_6hvc 1 . 9 . 1132 . 1 1 1 ASP CG C -5.477 -8.392 -0.033 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c34319_6hvc 1 . 9 . 1133 . 1 1 1 ASP H1 H -2.446 -6.803 1.011 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H1 . . . . . . . . . c34319_6hvc 1 . 9 . 1134 . 1 1 1 ASP H2 H -3.018 -8.310 0.550 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H2 . . . . . . . . . c34319_6hvc 1 . 9 . 1135 . 1 1 1 ASP H3 H -1.636 -7.543 -0.160 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H3 . . . . . . . . . c34319_6hvc 1 . 9 . 1136 . 1 1 1 ASP HA H -3.500 -7.412 -1.702 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c34319_6hvc 1 . 9 . 1137 . 1 1 1 ASP HB2 H -5.102 -6.425 0.755 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c34319_6hvc 1 . 9 . 1138 . 1 1 1 ASP HB3 H -5.705 -6.441 -0.893 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c34319_6hvc 1 . 9 . 1139 . 1 1 1 ASP N N -2.623 -7.416 0.207 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c34319_6hvc 1 . 9 . 1140 . 1 1 1 ASP O O -2.983 -4.528 -0.169 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c34319_6hvc 1 . 9 . 1141 . 1 1 1 ASP OD1 O -6.547 -8.750 -0.566 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c34319_6hvc 1 . 9 . 1142 . 1 1 1 ASP OD2 O -4.756 -9.169 0.630 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c34319_6hvc 1 . 9 . 1143 . 1 1 2 CYS C C -3.416 -2.466 -2.687 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c34319_6hvc 1 . 9 . 1144 . 1 1 2 CYS CA C -2.445 -3.687 -2.789 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c34319_6hvc 1 . 9 . 1145 . 1 1 2 CYS CB C -1.915 -3.909 -4.221 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c34319_6hvc 1 . 9 . 1146 . 1 1 2 CYS H H -3.129 -5.717 -3.083 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c34319_6hvc 1 . 9 . 1147 . 1 1 2 CYS HA H -1.568 -3.489 -2.147 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c34319_6hvc 1 . 9 . 1148 . 1 1 2 CYS HB2 H -2.684 -4.335 -4.891 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c34319_6hvc 1 . 9 . 1149 . 1 1 2 CYS HB3 H -1.635 -2.946 -4.670 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c34319_6hvc 1 . 9 . 1150 . 1 1 2 CYS N N -3.009 -4.989 -2.375 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c34319_6hvc 1 . 9 . 1151 . 1 1 2 CYS O O -4.552 -2.495 -3.171 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c34319_6hvc 1 . 9 . 1152 . 1 1 2 CYS SG S -0.440 -4.953 -4.204 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c34319_6hvc 1 . 9 . 1153 . 1 1 3 PHE C C -2.684 1.124 -2.251 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . c34319_6hvc 1 . 9 . 1154 . 1 1 3 PHE CA C -3.652 -0.079 -1.967 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . c34319_6hvc 1 . 9 . 1155 . 1 1 3 PHE CB C -4.453 -0.040 -0.626 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . c34319_6hvc 1 . 9 . 1156 . 1 1 3 PHE CD1 C -3.339 -1.267 1.317 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . c34319_6hvc 1 . 9 . 1157 . 1 1 3 PHE CD2 C -3.358 1.146 1.353 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . c34319_6hvc 1 . 9 . 1158 . 1 1 3 PHE CE1 C -2.700 -1.280 2.555 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . c34319_6hvc 1 . 9 . 1159 . 1 1 3 PHE CE2 C -2.705 1.133 2.584 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . c34319_6hvc 1 . 9 . 1160 . 1 1 3 PHE CG C -3.675 -0.053 0.708 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . c34319_6hvc 1 . 9 . 1161 . 1 1 3 PHE CZ C -2.379 -0.080 3.185 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . c34319_6hvc 1 . 9 . 1162 . 1 1 3 PHE H H -1.942 -1.428 -1.761 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . c34319_6hvc 1 . 9 . 1163 . 1 1 3 PHE HA H -4.401 -0.029 -2.783 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . c34319_6hvc 1 . 9 . 1164 . 1 1 3 PHE HB2 H -5.129 0.835 -0.642 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . c34319_6hvc 1 . 9 . 1165 . 1 1 3 PHE HB3 H -5.162 -0.892 -0.629 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . c34319_6hvc 1 . 9 . 1166 . 1 1 3 PHE HD1 H -3.572 -2.207 0.836 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . c34319_6hvc 1 . 9 . 1167 . 1 1 3 PHE HD2 H -3.632 2.090 0.909 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . c34319_6hvc 1 . 9 . 1168 . 1 1 3 PHE HE1 H -2.442 -2.222 3.019 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . c34319_6hvc 1 . 9 . 1169 . 1 1 3 PHE HE2 H -2.461 2.062 3.078 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . c34319_6hvc 1 . 9 . 1170 . 1 1 3 PHE HZ H -1.873 -0.093 4.139 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . c34319_6hvc 1 . 9 . 1171 . 1 1 3 PHE N N -2.928 -1.376 -2.072 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . c34319_6hvc 1 . 9 . 1172 . 1 1 3 PHE O O -1.485 0.944 -2.497 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . c34319_6hvc 1 . 9 . 1173 . 1 1 4 TRP C C -0.965 3.750 -2.602 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c34319_6hvc 1 . 9 . 1174 . 1 1 4 TRP CA C -2.510 3.569 -2.822 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c34319_6hvc 1 . 9 . 1175 . 1 1 4 TRP CB C -3.387 4.816 -2.512 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c34319_6hvc 1 . 9 . 1176 . 1 1 4 TRP CD1 C -2.839 7.288 -1.857 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c34319_6hvc 1 . 9 . 1177 . 1 1 4 TRP CD2 C -2.257 6.755 -3.928 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c34319_6hvc 1 . 9 . 1178 . 1 1 4 TRP CE2 C -1.993 8.130 -3.700 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c34319_6hvc 1 . 9 . 1179 . 1 1 4 TRP CE3 C -1.931 6.159 -5.165 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c34319_6hvc 1 . 9 . 1180 . 1 1 4 TRP CG C -2.820 6.227 -2.782 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c34319_6hvc 1 . 9 . 1181 . 1 1 4 TRP CH2 C -1.129 8.319 -5.952 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c34319_6hvc 1 . 9 . 1182 . 1 1 4 TRP CZ2 C -1.434 8.924 -4.730 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c34319_6hvc 1 . 9 . 1183 . 1 1 4 TRP CZ3 C -1.367 6.954 -6.164 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c34319_6hvc 1 . 9 . 1184 . 1 1 4 TRP H H -4.213 2.392 -2.051 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c34319_6hvc 1 . 9 . 1185 . 1 1 4 TRP HA H -2.557 3.417 -3.910 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c34319_6hvc 1 . 9 . 1186 . 1 1 4 TRP HB2 H -4.340 4.724 -3.065 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c34319_6hvc 1 . 9 . 1187 . 1 1 4 TRP HB3 H -3.685 4.775 -1.451 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c34319_6hvc 1 . 9 . 1188 . 1 1 4 TRP HD1 H -3.202 7.178 -0.847 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c34319_6hvc 1 . 9 . 1189 . 1 1 4 TRP HE1 H -2.586 9.435 -2.090 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c34319_6hvc 1 . 9 . 1190 . 1 1 4 TRP HE3 H -2.081 5.098 -5.298 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c34319_6hvc 1 . 9 . 1191 . 1 1 4 TRP HH2 H -0.698 8.912 -6.747 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c34319_6hvc 1 . 9 . 1192 . 1 1 4 TRP HZ2 H -1.249 9.977 -4.580 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c34319_6hvc 1 . 9 . 1193 . 1 1 4 TRP HZ3 H -1.106 6.508 -7.112 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c34319_6hvc 1 . 9 . 1194 . 1 1 4 TRP N N -3.213 2.365 -2.272 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c34319_6hvc 1 . 9 . 1195 . 1 1 4 TRP NE1 N -2.338 8.489 -2.406 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c34319_6hvc 1 . 9 . 1196 . 1 1 4 TRP O O -0.285 3.714 -3.635 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c34319_6hvc 1 . 9 . 1197 . 1 1 5 . C C 1.661 2.536 -0.613 . . . 1.0 . . . . . . . . . . . . A . 8 NMK C . . . . . . . . . c34319_6hvc 1 . 9 . 1198 . 1 1 5 . CA C 1.137 3.854 -1.292 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CA . . . . . . . . . c34319_6hvc 1 . 9 . 1199 . 1 1 5 . CB C 1.737 5.179 -0.731 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CB . . . . . . . . . c34319_6hvc 1 . 9 . 1200 . 1 1 5 . CD C 2.225 7.678 -1.099 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CD . . . . . . . . . c34319_6hvc 1 . 9 . 1201 . 1 1 5 . CE C 1.989 8.958 -1.922 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CE . . . . . . . . . c34319_6hvc 1 . 9 . 1202 . 1 1 5 . CG C 1.426 6.443 -1.568 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CG . . . . . . . . . c34319_6hvc 1 . 9 . 1203 . 1 1 5 . CN C -1.168 4.068 -0.141 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CN . . . . . . . . . c34319_6hvc 1 . 9 . 1204 . 1 1 5 . HA H 1.568 3.797 -2.307 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HA . . . . . . . . . c34319_6hvc 1 . 9 . 1205 . 1 1 5 . HB2 H 1.400 5.324 0.312 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HB2 . . . . . . . . . c34319_6hvc 1 . 9 . 1206 . 1 1 5 . HB3 H 2.834 5.054 -0.669 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HB3 . . . . . . . . . c34319_6hvc 1 . 9 . 1207 . 1 1 5 . HD2 H 2.043 7.868 -0.022 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HD2 . . . . . . . . . c34319_6hvc 1 . 9 . 1208 . 1 1 5 . HD3 H 3.303 7.435 -1.155 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HD3 . . . . . . . . . c34319_6hvc 1 . 9 . 1209 . 1 1 5 . HE2 H 2.775 9.702 -1.673 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HE2 . . . . . . . . . c34319_6hvc 1 . 9 . 1210 . 1 1 5 . HE3 H 2.116 8.751 -3.004 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HE3 . . . . . . . . . c34319_6hvc 1 . 9 . 1211 . 1 1 5 . HG2 H 1.636 6.231 -2.635 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HG2 . . . . . . . . . c34319_6hvc 1 . 9 . 1212 . 1 1 5 . HG3 H 0.337 6.642 -1.527 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HG3 . . . . . . . . . c34319_6hvc 1 . 9 . 1213 . 1 1 5 . HM1 H -0.544 4.009 0.769 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HM1 . . . . . . . . . c34319_6hvc 1 . 9 . 1214 . 1 1 5 . HM2 H -1.688 5.044 -0.111 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HM2 . . . . . . . . . c34319_6hvc 1 . 9 . 1215 . 1 1 5 . HM3 H -1.923 3.270 -0.047 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HM3 . . . . . . . . . c34319_6hvc 1 . 9 . 1216 . 1 1 5 . HZ1 H 0.509 9.711 -0.651 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HZ1 . . . . . . . . . c34319_6hvc 1 . 9 . 1217 . 1 1 5 . HZ2 H 0.499 10.426 -2.140 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HZ2 . . . . . . . . . c34319_6hvc 1 . 9 . 1218 . 1 1 5 . HZ3 H -0.105 8.902 -1.945 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HZ3 . . . . . . . . . c34319_6hvc 1 . 9 . 1219 . 1 1 5 . N N -0.365 3.928 -1.385 . . . 1.0 . . . . . . . . . . . . A . 8 NMK N . . . . . . . . . c34319_6hvc 1 . 9 . 1220 . 1 1 5 . NZ N 0.655 9.537 -1.652 . . . 1.0 . . . . . . . . . . . . A . 8 NMK NZ . . . . . . . . . c34319_6hvc 1 . 9 . 1221 . 1 1 5 . O O 2.608 2.576 0.178 . . . 1.0 . . . . . . . . . . . . A . 8 NMK O . . . . . . . . . c34319_6hvc 1 . 9 . 1222 . 1 1 6 TYR C C 0.967 -1.117 -1.182 . . . 1.0 . . . . . . . . . . . . A . 9 TYR C . . . . . . . . . c34319_6hvc 1 . 9 . 1223 . 1 1 6 TYR CA C 1.436 0.069 -0.284 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CA . . . . . . . . . c34319_6hvc 1 . 9 . 1224 . 1 1 6 TYR CB C 0.821 0.004 1.150 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CB . . . . . . . . . c34319_6hvc 1 . 9 . 1225 . 1 1 6 TYR CD1 C 0.565 -2.379 2.018 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CD1 . . . . . . . . . c34319_6hvc 1 . 9 . 1226 . 1 1 6 TYR CD2 C 2.428 -1.065 2.814 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CD2 . . . . . . . . . c34319_6hvc 1 . 9 . 1227 . 1 1 6 TYR CE1 C 0.970 -3.440 2.822 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CE1 . . . . . . . . . c34319_6hvc 1 . 9 . 1228 . 1 1 6 TYR CE2 C 2.840 -2.133 3.609 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CE2 . . . . . . . . . c34319_6hvc 1 . 9 . 1229 . 1 1 6 TYR CG C 1.286 -1.180 2.015 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CG . . . . . . . . . c34319_6hvc 1 . 9 . 1230 . 1 1 6 TYR CZ C 2.108 -3.319 3.614 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CZ . . . . . . . . . c34319_6hvc 1 . 9 . 1231 . 1 1 6 TYR H H 0.222 1.452 -1.530 . . . 1.0 . . . . . . . . . . . . A . 9 TYR H . . . . . . . . . c34319_6hvc 1 . 9 . 1232 . 1 1 6 TYR HA H 2.540 0.022 -0.180 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HA . . . . . . . . . c34319_6hvc 1 . 9 . 1233 . 1 1 6 TYR HB2 H 1.044 0.942 1.695 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HB2 . . . . . . . . . c34319_6hvc 1 . 9 . 1234 . 1 1 6 TYR HB3 H -0.283 0.005 1.074 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HB3 . . . . . . . . . c34319_6hvc 1 . 9 . 1235 . 1 1 6 TYR HD1 H -0.309 -2.497 1.393 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HD1 . . . . . . . . . c34319_6hvc 1 . 9 . 1236 . 1 1 6 TYR HD2 H 3.000 -0.147 2.820 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HD2 . . . . . . . . . c34319_6hvc 1 . 9 . 1237 . 1 1 6 TYR HE1 H 0.414 -4.368 2.813 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HE1 . . . . . . . . . c34319_6hvc 1 . 9 . 1238 . 1 1 6 TYR HE2 H 3.724 -2.036 4.220 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HE2 . . . . . . . . . c34319_6hvc 1 . 9 . 1239 . 1 1 6 TYR HH H 3.322 -4.138 4.838 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HH . . . . . . . . . c34319_6hvc 1 . 9 . 1240 . 1 1 6 TYR N N 1.064 1.361 -0.926 . . . 1.0 . . . . . . . . . . . . A . 9 TYR N . . . . . . . . . c34319_6hvc 1 . 9 . 1241 . 1 1 6 TYR O O -0.220 -1.460 -1.179 . . . 1.0 . . . . . . . . . . . . A . 9 TYR O . . . . . . . . . c34319_6hvc 1 . 9 . 1242 . 1 1 6 TYR OH O 2.512 -4.375 4.385 . . . 1.0 . . . . . . . . . . . . A . 9 TYR OH . . . . . . . . . c34319_6hvc 1 . 9 . 1243 . 1 1 7 CYS C C 2.145 -4.310 -2.052 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c34319_6hvc 1 . 9 . 1244 . 1 1 7 CYS CA C 1.552 -3.009 -2.679 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c34319_6hvc 1 . 9 . 1245 . 1 1 7 CYS CB C 1.880 -2.787 -4.169 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c34319_6hvc 1 . 9 . 1246 . 1 1 7 CYS H H 2.841 -1.404 -1.867 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c34319_6hvc 1 . 9 . 1247 . 1 1 7 CYS HA H 0.462 -3.154 -2.680 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c34319_6hvc 1 . 9 . 1248 . 1 1 7 CYS HB2 H 1.524 -1.796 -4.510 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c34319_6hvc 1 . 9 . 1249 . 1 1 7 CYS HB3 H 2.970 -2.811 -4.356 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c34319_6hvc 1 . 9 . 1250 . 1 1 7 CYS N N 1.890 -1.778 -1.911 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c34319_6hvc 1 . 9 . 1251 . 1 1 7 CYS O O 3.111 -4.887 -2.560 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c34319_6hvc 1 . 9 . 1252 . 1 1 7 CYS SG S 1.058 -4.039 -5.195 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c34319_6hvc 1 . 9 . 1253 . 1 1 8 VAL C C 0.393 -6.674 0.014 . . . 1.0 . . . . . . . . . . . . A . 11 VAL C . . . . . . . . . c34319_6hvc 1 . 9 . 1254 . 1 1 8 VAL CA C 1.795 -6.126 -0.371 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CA . . . . . . . . . c34319_6hvc 1 . 9 . 1255 . 1 1 8 VAL CB C 2.810 -6.109 0.827 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CB . . . . . . . . . c34319_6hvc 1 . 9 . 1256 . 1 1 8 VAL CG1 C 3.109 -7.523 1.376 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CG1 . . . . . . . . . c34319_6hvc 1 . 9 . 1257 . 1 1 8 VAL CG2 C 4.170 -5.438 0.524 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CG2 . . . . . . . . . c34319_6hvc 1 . 9 . 1258 . 1 1 8 VAL H H 0.740 -4.222 -0.605 . . . 1.0 . . . . . . . . . . . . A . 11 VAL H . . . . . . . . . c34319_6hvc 1 . 9 . 1259 . 1 1 8 VAL HA H 2.194 -6.805 -1.148 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HA . . . . . . . . . c34319_6hvc 1 . 9 . 1260 . 1 1 8 VAL HB H 2.338 -5.537 1.645 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HB . . . . . . . . . c34319_6hvc 1 . 9 . 1261 . 1 1 8 VAL HG11 H 2.181 -8.032 1.700 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG11 . . . . . . . . . c34319_6hvc 1 . 9 . 1262 . 1 1 8 VAL HG12 H 3.587 -8.172 0.618 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG12 . . . . . . . . . c34319_6hvc 1 . 9 . 1263 . 1 1 8 VAL HG13 H 3.773 -7.494 2.260 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG13 . . . . . . . . . c34319_6hvc 1 . 9 . 1264 . 1 1 8 VAL HG21 H 4.695 -5.930 -0.316 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG21 . . . . . . . . . c34319_6hvc 1 . 9 . 1265 . 1 1 8 VAL HG22 H 4.039 -4.376 0.245 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG22 . . . . . . . . . c34319_6hvc 1 . 9 . 1266 . 1 1 8 VAL HG23 H 4.846 -5.448 1.398 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG23 . . . . . . . . . c34319_6hvc 1 . 9 . 1267 . 1 1 8 VAL N N 1.522 -4.784 -0.958 . . . 1.0 . . . . . . . . . . . . A . 11 VAL N . . . . . . . . . c34319_6hvc 1 . 9 . 1268 . 1 1 8 VAL O O -0.205 -6.230 1.024 . . . 1.0 . . . . . . . . . . . . A . 11 VAL O . . . . . . . . . c34319_6hvc 1 . 9 . 1269 . 1 1 8 VAL OXT O -0.147 -7.549 -0.706 . . . 1.0 . . . . . . . . . . . . A . 11 VAL OXT . . . . . . . . . c34319_6hvc 1 . 10 . 1270 . 1 1 1 ASP C C -2.792 -4.989 -0.508 . . . 1.0 . . . . . . . . . . . . A . 4 ASP C . . . . . . . . . c34319_6hvc 1 . 10 . 1271 . 1 1 1 ASP CA C -3.440 -6.184 0.258 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CA . . . . . . . . . c34319_6hvc 1 . 10 . 1272 . 1 1 1 ASP CB C -4.070 -5.771 1.612 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CB . . . . . . . . . c34319_6hvc 1 . 10 . 1273 . 1 1 1 ASP CG C -4.825 -6.889 2.333 . . . 1.0 . . . . . . . . . . . . A . 4 ASP CG . . . . . . . . . c34319_6hvc 1 . 10 . 1274 . 1 1 1 ASP H1 H -1.479 -6.869 0.748 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H1 . . . . . . . . . c34319_6hvc 1 . 10 . 1275 . 1 1 1 ASP H2 H -2.774 -7.808 1.333 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H2 . . . . . . . . . c34319_6hvc 1 . 10 . 1276 . 1 1 1 ASP H3 H -2.220 -7.857 -0.274 . . . 1.0 . . . . . . . . . . . . A . 4 ASP H3 . . . . . . . . . c34319_6hvc 1 . 10 . 1277 . 1 1 1 ASP HA H -4.253 -6.613 -0.362 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HA . . . . . . . . . c34319_6hvc 1 . 10 . 1278 . 1 1 1 ASP HB2 H -3.303 -5.370 2.300 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB2 . . . . . . . . . c34319_6hvc 1 . 10 . 1279 . 1 1 1 ASP HB3 H -4.775 -4.933 1.452 . . . 1.0 . . . . . . . . . . . . A . 4 ASP HB3 . . . . . . . . . c34319_6hvc 1 . 10 . 1280 . 1 1 1 ASP N N -2.446 -7.251 0.521 . . . 1.0 . . . . . . . . . . . . A . 4 ASP N . . . . . . . . . c34319_6hvc 1 . 10 . 1281 . 1 1 1 ASP O O -2.069 -4.183 0.088 . . . 1.0 . . . . . . . . . . . . A . 4 ASP O . . . . . . . . . c34319_6hvc 1 . 10 . 1282 . 1 1 1 ASP OD1 O -6.021 -6.722 2.641 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD1 . . . . . . . . . c34319_6hvc 1 . 10 . 1283 . 1 1 1 ASP OD2 O -4.205 -7.953 2.560 . . . 1.0 . . . . . . . . . . . . A . 4 ASP OD2 . . . . . . . . . c34319_6hvc 1 . 10 . 1284 . 1 1 2 CYS C C -3.325 -2.537 -2.778 . . . 1.0 . . . . . . . . . . . . A . 5 CYS C . . . . . . . . . c34319_6hvc 1 . 10 . 1285 . 1 1 2 CYS CA C -2.422 -3.806 -2.661 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CA . . . . . . . . . c34319_6hvc 1 . 10 . 1286 . 1 1 2 CYS CB C -2.020 -4.427 -4.015 . . . 1.0 . . . . . . . . . . . . A . 5 CYS CB . . . . . . . . . c34319_6hvc 1 . 10 . 1287 . 1 1 2 CYS H H -3.638 -5.591 -2.246 . . . 1.0 . . . . . . . . . . . . A . 5 CYS H . . . . . . . . . c34319_6hvc 1 . 10 . 1288 . 1 1 2 CYS HA H -1.478 -3.514 -2.179 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HA . . . . . . . . . c34319_6hvc 1 . 10 . 1289 . 1 1 2 CYS HB2 H -1.323 -5.275 -3.871 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB2 . . . . . . . . . c34319_6hvc 1 . 10 . 1290 . 1 1 2 CYS HB3 H -2.907 -4.835 -4.531 . . . 1.0 . . . . . . . . . . . . A . 5 CYS HB3 . . . . . . . . . c34319_6hvc 1 . 10 . 1291 . 1 1 2 CYS N N -3.040 -4.871 -1.829 . . . 1.0 . . . . . . . . . . . . A . 5 CYS N . . . . . . . . . c34319_6hvc 1 . 10 . 1292 . 1 1 2 CYS O O -4.420 -2.575 -3.347 . . . 1.0 . . . . . . . . . . . . A . 5 CYS O . . . . . . . . . c34319_6hvc 1 . 10 . 1293 . 1 1 2 CYS SG S -1.240 -3.213 -5.115 . . . 1.0 . . . . . . . . . . . . A . 5 CYS SG . . . . . . . . . c34319_6hvc 1 . 10 . 1294 . 1 1 3 PHE C C -2.613 1.094 -2.391 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . c34319_6hvc 1 . 10 . 1295 . 1 1 3 PHE CA C -3.588 -0.120 -2.174 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . c34319_6hvc 1 . 10 . 1296 . 1 1 3 PHE CB C -4.483 -0.078 -0.892 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . c34319_6hvc 1 . 10 . 1297 . 1 1 3 PHE CD1 C -6.941 0.542 -1.224 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . c34319_6hvc 1 . 10 . 1298 . 1 1 3 PHE CD2 C -5.446 2.223 -0.353 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . c34319_6hvc 1 . 10 . 1299 . 1 1 3 PHE CE1 C -8.001 1.444 -1.145 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . c34319_6hvc 1 . 10 . 1300 . 1 1 3 PHE CE2 C -6.507 3.122 -0.266 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . c34319_6hvc 1 . 10 . 1301 . 1 1 3 PHE CG C -5.655 0.927 -0.837 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . c34319_6hvc 1 . 10 . 1302 . 1 1 3 PHE CZ C -7.782 2.733 -0.665 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . c34319_6hvc 1 . 10 . 1303 . 1 1 3 PHE H H -1.908 -1.473 -1.791 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . c34319_6hvc 1 . 10 . 1304 . 1 1 3 PHE HA H -4.274 -0.081 -3.045 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . c34319_6hvc 1 . 10 . 1305 . 1 1 3 PHE HB2 H -4.869 -1.094 -0.690 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . c34319_6hvc 1 . 10 . 1306 . 1 1 3 PHE HB3 H -3.822 0.105 -0.022 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . c34319_6hvc 1 . 10 . 1307 . 1 1 3 PHE HD1 H -7.124 -0.461 -1.573 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . c34319_6hvc 1 . 10 . 1308 . 1 1 3 PHE HD2 H -4.460 2.543 -0.047 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . c34319_6hvc 1 . 10 . 1309 . 1 1 3 PHE HE1 H -8.993 1.143 -1.448 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . c34319_6hvc 1 . 10 . 1310 . 1 1 3 PHE HE2 H -6.333 4.125 0.100 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . c34319_6hvc 1 . 10 . 1311 . 1 1 3 PHE HZ H -8.602 3.435 -0.605 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . c34319_6hvc 1 . 10 . 1312 . 1 1 3 PHE N N -2.850 -1.412 -2.217 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . c34319_6hvc 1 . 10 . 1313 . 1 1 3 PHE O O -1.402 0.925 -2.565 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . c34319_6hvc 1 . 10 . 1314 . 1 1 4 TRP C C -0.896 3.732 -2.577 . . . 1.0 . . . . . . . . . . . . A . 7 TRP C . . . . . . . . . c34319_6hvc 1 . 10 . 1315 . 1 1 4 TRP CA C -2.429 3.562 -2.880 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CA . . . . . . . . . c34319_6hvc 1 . 10 . 1316 . 1 1 4 TRP CB C -3.331 4.790 -2.557 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CB . . . . . . . . . c34319_6hvc 1 . 10 . 1317 . 1 1 4 TRP CD1 C -2.835 7.195 -1.657 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD1 . . . . . . . . . c34319_6hvc 1 . 10 . 1318 . 1 1 4 TRP CD2 C -2.061 6.825 -3.698 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CD2 . . . . . . . . . c34319_6hvc 1 . 10 . 1319 . 1 1 4 TRP CE2 C -1.774 8.160 -3.316 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE2 . . . . . . . . . c34319_6hvc 1 . 10 . 1320 . 1 1 4 TRP CE3 C -1.628 6.328 -4.948 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CE3 . . . . . . . . . c34319_6hvc 1 . 10 . 1321 . 1 1 4 TRP CG C -2.746 6.216 -2.665 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CG . . . . . . . . . c34319_6hvc 1 . 10 . 1322 . 1 1 4 TRP CH2 C -0.663 8.511 -5.437 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CH2 . . . . . . . . . c34319_6hvc 1 . 10 . 1323 . 1 1 4 TRP CZ2 C -1.076 9.016 -4.201 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ2 . . . . . . . . . c34319_6hvc 1 . 10 . 1324 . 1 1 4 TRP CZ3 C -0.931 7.184 -5.803 . . . 1.0 . . . . . . . . . . . . A . 7 TRP CZ3 . . . . . . . . . c34319_6hvc 1 . 10 . 1325 . 1 1 4 TRP H H -4.167 2.341 -2.275 . . . 1.0 . . . . . . . . . . . . A . 7 TRP H . . . . . . . . . c34319_6hvc 1 . 10 . 1326 . 1 1 4 TRP HA H -2.421 3.467 -3.975 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HA . . . . . . . . . c34319_6hvc 1 . 10 . 1327 . 1 1 4 TRP HB2 H -4.233 4.742 -3.195 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB2 . . . . . . . . . c34319_6hvc 1 . 10 . 1328 . 1 1 4 TRP HB3 H -3.719 4.673 -1.532 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HB3 . . . . . . . . . c34319_6hvc 1 . 10 . 1329 . 1 1 4 TRP HD1 H -3.290 7.007 -0.696 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HD1 . . . . . . . . . c34319_6hvc 1 . 10 . 1330 . 1 1 4 TRP HE1 H -2.497 9.348 -1.680 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE1 . . . . . . . . . c34319_6hvc 1 . 10 . 1331 . 1 1 4 TRP HE3 H -1.805 5.294 -5.201 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HE3 . . . . . . . . . c34319_6hvc 1 . 10 . 1332 . 1 1 4 TRP HH2 H -0.125 9.151 -6.121 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HH2 . . . . . . . . . c34319_6hvc 1 . 10 . 1333 . 1 1 4 TRP HZ2 H -0.861 10.038 -3.928 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ2 . . . . . . . . . c34319_6hvc 1 . 10 . 1334 . 1 1 4 TRP HZ3 H -0.586 6.815 -6.757 . . . 1.0 . . . . . . . . . . . . A . 7 TRP HZ3 . . . . . . . . . c34319_6hvc 1 . 10 . 1335 . 1 1 4 TRP N N -3.154 2.331 -2.425 . . . 1.0 . . . . . . . . . . . . A . 7 TRP N . . . . . . . . . c34319_6hvc 1 . 10 . 1336 . 1 1 4 TRP NE1 N -2.247 8.419 -2.038 . . . 1.0 . . . . . . . . . . . . A . 7 TRP NE1 . . . . . . . . . c34319_6hvc 1 . 10 . 1337 . 1 1 4 TRP O O -0.161 3.701 -3.572 . . . 1.0 . . . . . . . . . . . . A . 7 TRP O . . . . . . . . . c34319_6hvc 1 . 10 . 1338 . 1 1 5 . C C 1.618 2.499 -0.449 . . . 1.0 . . . . . . . . . . . . A . 8 NMK C . . . . . . . . . c34319_6hvc 1 . 10 . 1339 . 1 1 5 . CA C 1.136 3.817 -1.156 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CA . . . . . . . . . c34319_6hvc 1 . 10 . 1340 . 1 1 5 . CB C 1.698 5.150 -0.578 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CB . . . . . . . . . c34319_6hvc 1 . 10 . 1341 . 1 1 5 . CD C 2.227 7.662 -1.030 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CD . . . . . . . . . c34319_6hvc 1 . 10 . 1342 . 1 1 5 . CE C 1.623 8.366 0.200 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CE . . . . . . . . . c34319_6hvc 1 . 10 . 1343 . 1 1 5 . CG C 1.508 6.378 -1.505 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CG . . . . . . . . . c34319_6hvc 1 . 10 . 1344 . 1 1 5 . CN C -1.223 4.011 -0.122 . . . 1.0 . . . . . . . . . . . . A . 8 NMK CN . . . . . . . . . c34319_6hvc 1 . 10 . 1345 . 1 1 5 . HA H 1.620 3.748 -2.145 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HA . . . . . . . . . c34319_6hvc 1 . 10 . 1346 . 1 1 5 . HB2 H 1.252 5.336 0.416 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HB2 . . . . . . . . . c34319_6hvc 1 . 10 . 1347 . 1 1 5 . HB3 H 2.780 5.014 -0.393 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HB3 . . . . . . . . . c34319_6hvc 1 . 10 . 1348 . 1 1 5 . HD2 H 3.284 7.410 -0.811 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HD2 . . . . . . . . . c34319_6hvc 1 . 10 . 1349 . 1 1 5 . HD3 H 2.297 8.373 -1.878 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HD3 . . . . . . . . . c34319_6hvc 1 . 10 . 1350 . 1 1 5 . HE2 H 1.468 7.643 1.026 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HE2 . . . . . . . . . c34319_6hvc 1 . 10 . 1351 . 1 1 5 . HE3 H 2.347 9.108 0.595 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HE3 . . . . . . . . . c34319_6hvc 1 . 10 . 1352 . 1 1 5 . HG2 H 1.883 6.109 -2.510 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HG2 . . . . . . . . . c34319_6hvc 1 . 10 . 1353 . 1 1 5 . HG3 H 0.429 6.567 -1.671 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HG3 . . . . . . . . . c34319_6hvc 1 . 10 . 1354 . 1 1 5 . HM1 H -1.716 4.997 -0.079 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HM1 . . . . . . . . . c34319_6hvc 1 . 10 . 1355 . 1 1 5 . HM2 H -2.001 3.231 -0.100 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HM2 . . . . . . . . . c34319_6hvc 1 . 10 . 1356 . 1 1 5 . HM3 H -0.646 3.899 0.815 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HM3 . . . . . . . . . c34319_6hvc 1 . 10 . 1357 . 1 1 5 . HZ1 H 0.505 9.819 -0.806 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HZ1 . . . . . . . . . c34319_6hvc 1 . 10 . 1358 . 1 1 5 . HZ2 H -0.305 8.409 -0.621 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HZ2 . . . . . . . . . c34319_6hvc 1 . 10 . 1359 . 1 1 5 . HZ3 H -0.133 9.433 0.668 . . . 1.0 . . . . . . . . . . . . A . 8 NMK HZ3 . . . . . . . . . c34319_6hvc 1 . 10 . 1360 . 1 1 5 . N N -0.359 3.897 -1.327 . . . 1.0 . . . . . . . . . . . . A . 8 NMK N . . . . . . . . . c34319_6hvc 1 . 10 . 1361 . 1 1 5 . NZ N 0.354 9.045 -0.149 . . . 1.0 . . . . . . . . . . . . A . 8 NMK NZ . . . . . . . . . c34319_6hvc 1 . 10 . 1362 . 1 1 5 . O O 2.526 2.532 0.388 . . . 1.0 . . . . . . . . . . . . A . 8 NMK O . . . . . . . . . c34319_6hvc 1 . 10 . 1363 . 1 1 6 TYR C C 0.905 -1.118 -1.137 . . . 1.0 . . . . . . . . . . . . A . 9 TYR C . . . . . . . . . c34319_6hvc 1 . 10 . 1364 . 1 1 6 TYR CA C 1.385 0.022 -0.188 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CA . . . . . . . . . c34319_6hvc 1 . 10 . 1365 . 1 1 6 TYR CB C 0.766 -0.082 1.242 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CB . . . . . . . . . c34319_6hvc 1 . 10 . 1366 . 1 1 6 TYR CD1 C 2.345 -1.274 2.848 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CD1 . . . . . . . . . c34319_6hvc 1 . 10 . 1367 . 1 1 6 TYR CD2 C 0.428 -2.487 2.019 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CD2 . . . . . . . . . c34319_6hvc 1 . 10 . 1368 . 1 1 6 TYR CE1 C 2.726 -2.390 3.592 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CE1 . . . . . . . . . c34319_6hvc 1 . 10 . 1369 . 1 1 6 TYR CE2 C 0.807 -3.598 2.767 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CE2 . . . . . . . . . c34319_6hvc 1 . 10 . 1370 . 1 1 6 TYR CG C 1.191 -1.315 2.057 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CG . . . . . . . . . c34319_6hvc 1 . 10 . 1371 . 1 1 6 TYR CZ C 1.956 -3.549 3.551 . . . 1.0 . . . . . . . . . . . . A . 9 TYR CZ . . . . . . . . . c34319_6hvc 1 . 10 . 1372 . 1 1 6 TYR H H 0.225 1.435 -1.452 . . . 1.0 . . . . . . . . . . . . A . 9 TYR H . . . . . . . . . c34319_6hvc 1 . 10 . 1373 . 1 1 6 TYR HA H 2.488 -0.043 -0.085 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HA . . . . . . . . . c34319_6hvc 1 . 10 . 1374 . 1 1 6 TYR HB2 H 1.014 0.827 1.823 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HB2 . . . . . . . . . c34319_6hvc 1 . 10 . 1375 . 1 1 6 TYR HB3 H -0.338 -0.047 1.163 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HB3 . . . . . . . . . c34319_6hvc 1 . 10 . 1376 . 1 1 6 TYR HD1 H 2.948 -0.378 2.886 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HD1 . . . . . . . . . c34319_6hvc 1 . 10 . 1377 . 1 1 6 TYR HD2 H -0.454 -2.549 1.398 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HD2 . . . . . . . . . c34319_6hvc 1 . 10 . 1378 . 1 1 6 TYR HE1 H 3.620 -2.349 4.196 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HE1 . . . . . . . . . c34319_6hvc 1 . 10 . 1379 . 1 1 6 TYR HE2 H 0.224 -4.507 2.718 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HE2 . . . . . . . . . c34319_6hvc 1 . 10 . 1380 . 1 1 6 TYR HH H 3.157 -4.464 4.720 . . . 1.0 . . . . . . . . . . . . A . 9 TYR HH . . . . . . . . . c34319_6hvc 1 . 10 . 1381 . 1 1 6 TYR N N 1.029 1.333 -0.800 . . . 1.0 . . . . . . . . . . . . A . 9 TYR N . . . . . . . . . c34319_6hvc 1 . 10 . 1382 . 1 1 6 TYR O O -0.262 -1.516 -1.080 . . . 1.0 . . . . . . . . . . . . A . 9 TYR O . . . . . . . . . c34319_6hvc 1 . 10 . 1383 . 1 1 6 TYR OH O 2.332 -4.652 4.270 . . . 1.0 . . . . . . . . . . . . A . 9 TYR OH . . . . . . . . . c34319_6hvc 1 . 10 . 1384 . 1 1 7 CYS C C 2.037 -4.179 -2.334 . . . 1.0 . . . . . . . . . . . . A . 10 CYS C . . . . . . . . . c34319_6hvc 1 . 10 . 1385 . 1 1 7 CYS CA C 1.439 -2.832 -2.849 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CA . . . . . . . . . c34319_6hvc 1 . 10 . 1386 . 1 1 7 CYS CB C 1.721 -2.489 -4.323 . . . 1.0 . . . . . . . . . . . . A . 10 CYS CB . . . . . . . . . c34319_6hvc 1 . 10 . 1387 . 1 1 7 CYS H H 2.727 -1.248 -1.993 . . . 1.0 . . . . . . . . . . . . A . 10 CYS H . . . . . . . . . c34319_6hvc 1 . 10 . 1388 . 1 1 7 CYS HA H 0.353 -2.975 -2.851 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HA . . . . . . . . . c34319_6hvc 1 . 10 . 1389 . 1 1 7 CYS HB2 H 1.443 -1.444 -4.561 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB2 . . . . . . . . . c34319_6hvc 1 . 10 . 1390 . 1 1 7 CYS HB3 H 2.794 -2.597 -4.570 . . . 1.0 . . . . . . . . . . . . A . 10 CYS HB3 . . . . . . . . . c34319_6hvc 1 . 10 . 1391 . 1 1 7 CYS N N 1.793 -1.668 -1.989 . . . 1.0 . . . . . . . . . . . . A . 10 CYS N . . . . . . . . . c34319_6hvc 1 . 10 . 1392 . 1 1 7 CYS O O 2.982 -4.723 -2.914 . . . 1.0 . . . . . . . . . . . . A . 10 CYS O . . . . . . . . . c34319_6hvc 1 . 10 . 1393 . 1 1 7 CYS SG S 0.727 -3.573 -5.377 . . . 1.0 . . . . . . . . . . . . A . 10 CYS SG . . . . . . . . . c34319_6hvc 1 . 10 . 1394 . 1 1 8 VAL C C 0.527 -6.703 -0.233 . . . 1.0 . . . . . . . . . . . . A . 11 VAL C . . . . . . . . . c34319_6hvc 1 . 10 . 1395 . 1 1 8 VAL CA C 1.861 -6.033 -0.664 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CA . . . . . . . . . c34319_6hvc 1 . 10 . 1396 . 1 1 8 VAL CB C 2.919 -5.925 0.494 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CB . . . . . . . . . c34319_6hvc 1 . 10 . 1397 . 1 1 8 VAL CG1 C 3.340 -7.305 1.053 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CG1 . . . . . . . . . c34319_6hvc 1 . 10 . 1398 . 1 1 8 VAL CG2 C 4.217 -5.166 0.133 . . . 1.0 . . . . . . . . . . . . A . 11 VAL CG2 . . . . . . . . . c34319_6hvc 1 . 10 . 1399 . 1 1 8 VAL H H 0.693 -4.182 -0.823 . . . 1.0 . . . . . . . . . . . . A . 11 VAL H . . . . . . . . . c34319_6hvc 1 . 10 . 1400 . 1 1 8 VAL HA H 2.287 -6.678 -1.457 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HA . . . . . . . . . c34319_6hvc 1 . 10 . 1401 . 1 1 8 VAL HB H 2.435 -5.373 1.320 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HB . . . . . . . . . c34319_6hvc 1 . 10 . 1402 . 1 1 8 VAL HG11 H 2.464 -7.871 1.424 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG11 . . . . . . . . . c34319_6hvc 1 . 10 . 1403 . 1 1 8 VAL HG12 H 3.832 -7.932 0.286 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG12 . . . . . . . . . c34319_6hvc 1 . 10 . 1404 . 1 1 8 VAL HG13 H 4.033 -7.213 1.909 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG13 . . . . . . . . . c34319_6hvc 1 . 10 . 1405 . 1 1 8 VAL HG21 H 4.002 -4.119 -0.150 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG21 . . . . . . . . . c34319_6hvc 1 . 10 . 1406 . 1 1 8 VAL HG22 H 4.925 -5.119 0.981 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG22 . . . . . . . . . c34319_6hvc 1 . 10 . 1407 . 1 1 8 VAL HG23 H 4.743 -5.630 -0.721 . . . 1.0 . . . . . . . . . . . . A . 11 VAL HG23 . . . . . . . . . c34319_6hvc 1 . 10 . 1408 . 1 1 8 VAL N N 1.467 -4.713 -1.235 . . . 1.0 . . . . . . . . . . . . A . 11 VAL N . . . . . . . . . c34319_6hvc 1 . 10 . 1409 . 1 1 8 VAL O O 0.009 -6.428 0.877 . . . 1.0 . . . . . . . . . . . . A . 11 VAL O . . . . . . . . . c34319_6hvc 1 . 10 . 1410 . 1 1 8 VAL OXT O -0.040 -7.504 -1.013 . . . 1.0 . . . . . . . . . . . . A . 11 VAL OXT . . . . . . . . . c34319_6hvc 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 c34319_6hvc _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 6hvc.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c34319_6hvc 1 1 6hvc.mr . . DYANA/DIANA 2 distance NOE simple 67 c34319_6hvc 1 1 6hvc.mr . . 'MR format' 3 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c34319_6hvc 1 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2 _Gen_dist_constraint_list.Entry_ID c34319_6hvc _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 . . . . c34319_6hvc 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 ASP HA H . . . 1 1 2 2 CYS H H . . . . . . . 2.71 . . . . . A . 4 ASP HA . . A . 5 CYS H . . . 4 ASP HA . . . . . 5 CYS HN . . c34319_6hvc 1 2 1 . . 1 1 2 2 CYS H H . . . 1 1 2 2 CYS HB2 H . . . . . . . 2.83 . . . . . A . 5 CYS H . . A . 5 CYS HB2 . . . 5 CYS HN . . . . . 5 CYS HB2 . . c34319_6hvc 1 3 1 . . 1 1 2 2 CYS H H . . . 1 1 2 2 CYS HB3 H . . . . . . . 2.83 . . . . . A . 5 CYS H . . A . 5 CYS HB3 . . . 5 CYS HN . . . . . 5 CYS HB3 . . c34319_6hvc 1 4 1 . . 1 1 2 2 CYS HA H . . . 1 1 2 2 CYS HB2 H . . . . . . . 2.83 . . . . . A . 5 CYS HA . . A . 5 CYS HB2 . . . 5 CYS HA . . . . . 5 CYS HB2 . . c34319_6hvc 1 5 1 . . 1 1 2 2 CYS HA H . . . 1 1 2 2 CYS HB3 H . . . . . . . 2.83 . . . . . A . 5 CYS HA . . A . 5 CYS HB3 . . . 5 CYS HA . . . . . 5 CYS HB3 . . c34319_6hvc 1 6 1 . . 1 1 2 2 CYS HA H . . . 1 1 3 3 PHE H H . . . . . . . 2.68 . . . . . A . 5 CYS HA . . A . 6 PHE H . . . 5 CYS HA . . . . . 6 PHE HN . . c34319_6hvc 1 7 1 . . 1 1 2 2 CYS HA H . . . 1 1 3 3 PHE QD H . . . . . . . 7.62 . . . . . A . 5 CYS HA . . A . 6 PHE QD . . . 5 CYS HA . . . . . 6 PHE QD . . c34319_6hvc 1 8 1 . . 1 1 2 2 CYS HA H . . . 1 1 7 7 CYS HA H . . . . . . . 2.59 . . . . . A . 5 CYS HA . . A . 10 CYS HA . . . 5 CYS HA . . . . . 10 CYS HA . . c34319_6hvc 1 9 1 . . 1 1 2 2 CYS HA H . . . 1 1 8 8 VAL H H . . . . . . . 3.73 . . . . . A . 5 CYS HA . . A . 11 VAL H . . . 5 CYS HA . . . . . 11 VAL HN . . c34319_6hvc 1 10 1 OR . 1 1 7 7 CYS HA H . . . 1 1 2 2 CYS HB3 H . . . . . . . 5.39 . . . . . A . 10 CYS HA . . A . 5 CYS HB3 . . . 10 CYS HA . . . . . 5 CYS QB . . c34319_6hvc 1 10 2 OR . 1 1 7 7 CYS HA H . . . 1 1 2 2 CYS HB2 H . . . . . . . 5.39 . . . . . A . 10 CYS HA . . A . 5 CYS HB2 . . . 10 CYS HA . . . . . 5 CYS QB . . c34319_6hvc 1 11 1 OR . 1 1 8 8 VAL H H . . . 1 1 2 2 CYS HB3 H . . . . . . . 6.38 . . . . . A . 11 VAL H . . A . 5 CYS HB3 . . . 11 VAL HN . . . . . 5 CYS QB . . c34319_6hvc 1 11 2 OR . 1 1 8 8 VAL H H . . . 1 1 2 2 CYS HB2 H . . . . . . . 6.38 . . . . . A . 11 VAL H . . A . 5 CYS HB2 . . . 11 VAL HN . . . . . 5 CYS QB . . c34319_6hvc 1 12 1 . . 1 1 3 3 PHE H H . . . 1 1 3 3 PHE HB2 H . . . . . . . 4.14 . . . . . A . 6 PHE H . . A . 6 PHE HB2 . . . 6 PHE HN . . . . . 6 PHE HB2 . . c34319_6hvc 1 13 1 . . 1 1 3 3 PHE H H . . . 1 1 3 3 PHE HB3 H . . . . . . . 4.14 . . . . . A . 6 PHE H . . A . 6 PHE HB3 . . . 6 PHE HN . . . . . 6 PHE HB3 . . c34319_6hvc 1 14 1 OR . 1 1 3 3 PHE H H . . . 1 1 3 3 PHE HB2 H . . . . . . . 3.60 . . . . . A . 6 PHE H . . A . 6 PHE HB2 . . . 6 PHE HN . . . . . 6 PHE QB . . c34319_6hvc 1 14 2 OR . 1 1 3 3 PHE H H . . . 1 1 3 3 PHE HB3 H . . . . . . . 3.60 . . . . . A . 6 PHE H . . A . 6 PHE HB3 . . . 6 PHE HN . . . . . 6 PHE QB . . c34319_6hvc 1 15 1 OR . 1 1 3 3 PHE H H . . . 1 1 4 4 TRP HB2 H . . . . . . . 6.38 . . . . . A . 6 PHE H . . A . 7 TRP HB2 . . . 6 PHE HN . . . . . 7 TRP QB . . c34319_6hvc 1 15 2 OR . 1 1 3 3 PHE H H . . . 1 1 4 4 TRP HB3 H . . . . . . . 6.38 . . . . . A . 6 PHE H . . A . 7 TRP HB3 . . . 6 PHE HN . . . . . 7 TRP QB . . c34319_6hvc 1 16 1 . . 1 1 3 3 PHE H H . . . 1 1 6 6 TYR H H . . . . . . . 3.30 . . . . . A . 6 PHE H . . A . 9 TYR H . . . 6 PHE HN . . . . . 9 TYR HN . . c34319_6hvc 1 17 1 . . 1 1 3 3 PHE H H . . . 1 1 7 7 CYS HA H . . . . . . . 3.67 . . . . . A . 6 PHE H . . A . 10 CYS HA . . . 6 PHE HN . . . . . 10 CYS HA . . c34319_6hvc 1 18 1 . . 1 1 3 3 PHE HA H . . . 1 1 3 3 PHE HB2 H . . . . . . . 2.96 . . . . . A . 6 PHE HA . . A . 6 PHE HB2 . . . 6 PHE HA . . . . . 6 PHE HB2 . . c34319_6hvc 1 19 1 . . 1 1 3 3 PHE HB3 H . . . 1 1 3 3 PHE HA H . . . . . . . 2.96 . . . . . A . 6 PHE HB3 . . A . 6 PHE HA . . . 6 PHE HB3 . . . . . 6 PHE HA . . c34319_6hvc 1 20 1 OR . 1 1 3 3 PHE HA H . . . 1 1 3 3 PHE HB2 H . . . . . . . 2.73 . . . . . A . 6 PHE HA . . A . 6 PHE HB2 . . . 6 PHE HA . . . . . 6 PHE QB . . c34319_6hvc 1 20 2 OR . 1 1 3 3 PHE HB3 H . . . 1 1 3 3 PHE HA H . . . . . . . 2.73 . . . . . A . 6 PHE HB3 . . A . 6 PHE HA . . . 6 PHE QB . . . . . 6 PHE HA . . c34319_6hvc 1 21 1 . . 1 1 3 3 PHE HA H . . . 1 1 4 4 TRP H H . . . . . . . 2.90 . . . . . A . 6 PHE HA . . A . 7 TRP H . . . 6 PHE HA . . . . . 7 TRP HN . . c34319_6hvc 1 22 1 . . 1 1 3 3 PHE QD H . . . 1 1 4 4 TRP H H . . . . . . . 7.00 . . . . . A . 6 PHE QD . . A . 7 TRP H . . . 6 PHE QD . . . . . 7 TRP HN . . c34319_6hvc 1 23 1 OR . 1 1 3 3 PHE QD H . . . 1 1 8 8 VAL MG1 H . . . . . . . 9.74 . . . . . A . 6 PHE QD . . A . 11 VAL MG1 . . . 6 PHE QD . . . . . 11 VAL QQG . . c34319_6hvc 1 23 2 OR . 1 1 3 3 PHE QD H . . . 1 1 8 8 VAL MG2 H . . . . . . . 9.74 . . . . . A . 6 PHE QD . . A . 11 VAL MG2 . . . 6 PHE QD . . . . . 11 VAL QQG . . c34319_6hvc 1 24 1 OR . 1 1 3 3 PHE QE H . . . 1 1 8 8 VAL MG1 H . . . . . . . 9.71 . . . . . A . 6 PHE QE . . A . 11 VAL MG1 . . . 6 PHE QE . . . . . 11 VAL QQG . . c34319_6hvc 1 24 2 OR . 1 1 8 8 VAL MG2 H . . . 1 1 3 3 PHE QE H . . . . . . . 9.71 . . . . . A . 11 VAL MG2 . . A . 6 PHE QE . . . 11 VAL QQG . . . . . 6 PHE QE . . c34319_6hvc 1 25 1 . . 1 1 4 4 TRP H H . . . 1 1 4 4 TRP HB2 H . . . . . . . 2.96 . . . . . A . 7 TRP H . . A . 7 TRP HB2 . . . 7 TRP HN . . . . . 7 TRP HB2 . . c34319_6hvc 1 26 1 . . 1 1 4 4 TRP HB3 H . . . 1 1 4 4 TRP H H . . . . . . . 2.96 . . . . . A . 7 TRP HB3 . . A . 7 TRP H . . . 7 TRP HB3 . . . . . 7 TRP HN . . c34319_6hvc 1 27 1 OR . 1 1 4 4 TRP H H . . . 1 1 4 4 TRP HB2 H . . . . . . . 2.70 . . . . . A . 7 TRP H . . A . 7 TRP HB2 . . . 7 TRP HN . . . . . 7 TRP QB . . c34319_6hvc 1 27 2 OR . 1 1 4 4 TRP HB3 H . . . 1 1 4 4 TRP H H . . . . . . . 2.70 . . . . . A . 7 TRP HB3 . . A . 7 TRP H . . . 7 TRP QB . . . . . 7 TRP HN . . c34319_6hvc 1 28 1 . . 1 1 4 4 TRP H H . . . 1 1 4 4 TRP HD1 H . . . . . . . 4.97 . . . . . A . 7 TRP H . . A . 7 TRP HD1 . . . 7 TRP HN . . . . . 7 TRP HD1 . . c34319_6hvc 1 29 1 . . 1 1 4 4 TRP HD1 H . . . 1 1 4 4 TRP HA H . . . . . . . 4.85 . . . . . A . 7 TRP HD1 . . A . 7 TRP HA . . . 7 TRP HD1 . . . . . 7 TRP HA . . c34319_6hvc 1 30 1 . . 1 1 4 4 TRP HA H . . . 1 1 4 4 TRP HE3 H . . . . . . . 3.55 . . . . . A . 7 TRP HA . . A . 7 TRP HE3 . . . 7 TRP HA . . . . . 7 TRP HE3 . . c34319_6hvc 1 31 1 . . 1 1 6 6 TYR H H . . . 1 1 4 4 TRP HA H . . . . . . . 3.39 . . . . . A . 9 TYR H . . A . 7 TRP HA . . . 9 TYR HN . . . . . 7 TRP HA . . c34319_6hvc 1 32 1 . . 1 1 4 4 TRP HD1 H . . . 1 1 4 4 TRP HB2 H . . . . . . . 3.83 . . . . . A . 7 TRP HD1 . . A . 7 TRP HB2 . . . 7 TRP HD1 . . . . . 7 TRP HB2 . . c34319_6hvc 1 33 1 . . 1 1 4 4 TRP HE3 H . . . 1 1 4 4 TRP HB2 H . . . . . . . 3.79 . . . . . A . 7 TRP HE3 . . A . 7 TRP HB2 . . . 7 TRP HE3 . . . . . 7 TRP HB2 . . c34319_6hvc 1 34 1 . . 1 1 4 4 TRP HB3 H . . . 1 1 4 4 TRP HD1 H . . . . . . . 3.83 . . . . . A . 7 TRP HB3 . . A . 7 TRP HD1 . . . 7 TRP HB3 . . . . . 7 TRP HD1 . . c34319_6hvc 1 35 1 . . 1 1 4 4 TRP HB3 H . . . 1 1 4 4 TRP HE3 H . . . . . . . 3.79 . . . . . A . 7 TRP HB3 . . A . 7 TRP HE3 . . . 7 TRP HB3 . . . . . 7 TRP HE3 . . c34319_6hvc 1 36 1 . . 1 1 6 6 TYR H H . . . 1 1 6 6 TYR HB2 H . . . . . . . 3.73 . . . . . A . 9 TYR H . . A . 9 TYR HB2 . . . 9 TYR HN . . . . . 9 TYR HB2 . . c34319_6hvc 1 37 1 . . 1 1 6 6 TYR H H . . . 1 1 6 6 TYR HB3 H . . . . . . . 3.73 . . . . . A . 9 TYR H . . A . 9 TYR HB3 . . . 9 TYR HN . . . . . 9 TYR HB3 . . c34319_6hvc 1 38 1 OR . 1 1 6 6 TYR H H . . . 1 1 6 6 TYR HB3 H . . . . . . . 3.40 . . . . . A . 9 TYR H . . A . 9 TYR HB3 . . . 9 TYR HN . . . . . 9 TYR QB . . c34319_6hvc 1 38 2 OR . 1 1 6 6 TYR H H . . . 1 1 6 6 TYR HB2 H . . . . . . . 3.40 . . . . . A . 9 TYR H . . A . 9 TYR HB2 . . . 9 TYR HN . . . . . 9 TYR QB . . c34319_6hvc 1 39 1 . . 1 1 6 6 TYR H H . . . 1 1 6 6 TYR QE H . . . . . . . 7.63 . . . . . A . 9 TYR H . . A . 9 TYR QE . . . 9 TYR HN . . . . . 9 TYR QE . . c34319_6hvc 1 40 1 . . 1 1 6 6 TYR H H . . . 1 1 7 7 CYS H H . . . . . . . 4.01 . . . . . A . 9 TYR H . . A . 10 CYS H . . . 9 TYR HN . . . . . 10 CYS HN . . c34319_6hvc 1 41 1 . . 1 1 6 6 TYR HB2 H . . . 1 1 6 6 TYR HA H . . . . . . . 3.08 . . . . . A . 9 TYR HB2 . . A . 9 TYR HA . . . 9 TYR HB2 . . . . . 9 TYR HA . . c34319_6hvc 1 42 1 . . 1 1 6 6 TYR HA H . . . 1 1 6 6 TYR HB3 H . . . . . . . 3.08 . . . . . A . 9 TYR HA . . A . 9 TYR HB3 . . . 9 TYR HA . . . . . 9 TYR HB3 . . c34319_6hvc 1 43 1 . . 1 1 7 7 CYS H H . . . 1 1 6 6 TYR HA H . . . . . . . 2.96 . . . . . A . 10 CYS H . . A . 9 TYR HA . . . 10 CYS HN . . . . . 9 TYR HA . . c34319_6hvc 1 44 1 OR . 1 1 6 6 TYR QD H . . . 1 1 8 8 VAL MG1 H . . . . . . . 9.76 . . . . . A . 9 TYR QD . . A . 11 VAL MG1 . . . 9 TYR QD . . . . . 11 VAL QQG . . c34319_6hvc 1 44 2 OR . 1 1 8 8 VAL MG2 H . . . 1 1 6 6 TYR QD H . . . . . . . 9.76 . . . . . A . 11 VAL MG2 . . A . 9 TYR QD . . . 11 VAL QQG . . . . . 9 TYR QD . . c34319_6hvc 1 45 1 . . 1 1 6 6 TYR QE H . . . 1 1 8 8 VAL HA H . . . . . . . 7.63 . . . . . A . 9 TYR QE . . A . 11 VAL HA . . . 9 TYR QE . . . . . 11 VAL HA . . c34319_6hvc 1 46 1 OR . 1 1 6 6 TYR QE H . . . 1 1 8 8 VAL MG1 H . . . . . . . 9.75 . . . . . A . 9 TYR QE . . A . 11 VAL MG1 . . . 9 TYR QE . . . . . 11 VAL QQG . . c34319_6hvc 1 46 2 OR . 1 1 8 8 VAL MG2 H . . . 1 1 6 6 TYR QE H . . . . . . . 9.75 . . . . . A . 11 VAL MG2 . . A . 9 TYR QE . . . 11 VAL QQG . . . . . 9 TYR QE . . c34319_6hvc 1 47 1 . . 1 1 7 7 CYS HA H . . . 1 1 8 8 VAL H H . . . . . . . 2.77 . . . . . A . 10 CYS HA . . A . 11 VAL H . . . 10 CYS HA . . . . . 11 VAL HN . . c34319_6hvc 1 48 1 OR . 1 1 7 7 CYS HA H . . . 1 1 8 8 VAL MG1 H . . . . . . . 7.62 . . . . . A . 10 CYS HA . . A . 11 VAL MG1 . . . 10 CYS HA . . . . . 11 VAL QQG . . c34319_6hvc 1 48 2 OR . 1 1 7 7 CYS HA H . . . 1 1 8 8 VAL MG2 H . . . . . . . 7.62 . . . . . A . 10 CYS HA . . A . 11 VAL MG2 . . . 10 CYS HA . . . . . 11 VAL QQG . . c34319_6hvc 1 49 1 . . 1 1 8 8 VAL H H . . . 1 1 8 8 VAL HB H . . . . . . . 3.86 . . . . . A . 11 VAL H . . A . 11 VAL HB . . . 11 VAL HN . . . . . 11 VAL HB . . c34319_6hvc 1 50 1 . . 1 1 8 8 VAL HA H . . . 1 1 8 8 VAL HB H . . . . . . . 2.96 . . . . . A . 11 VAL HA . . A . 11 VAL HB . . . 11 VAL HA . . . . . 11 VAL HB . . c34319_6hvc 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 'Restraints file 1: me8.upl' 1 1 1 28 c34319_6hvc 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 31 1 "Not handling restraint 31, item 1, resonance(s) ' .8.QB' (nmrStar names) not linked" c34319_6hvc 1 2 2 32 1 "Not handling restraint 32, item 1, resonance(s) ' .8.QG' (nmrStar names) not linked" c34319_6hvc 1 3 2 38 1 "Not handling restraint 38, item 1, resonance(s) ' .8.HA' (nmrStar names) not linked" c34319_6hvc 1 4 2 38 1 "Not handling restraint 38, item 1, resonance(s) ' .8.HA' (nmrStar names) not linked" c34319_6hvc 1 5 2 39 1 "Not handling restraint 39, item 1, resonance(s) ' .8.HA' (nmrStar names) not linked" c34319_6hvc 1 6 2 40 1 "Not handling restraint 40, item 1, resonance(s) ' .8.QG' (nmrStar names) not linked" c34319_6hvc 1 7 2 41 1 "Not handling restraint 41, item 1, resonance(s) ' .8.QH' (nmrStar names) not linked" c34319_6hvc 1 8 2 42 1 "Not handling restraint 42, item 1, resonance(s) ' .8.HA' (nmrStar names) not linked" c34319_6hvc 1 9 2 43 1 "Not handling restraint 43, item 1, resonance(s) ' .8.QG' (nmrStar names) not linked" c34319_6hvc 1 10 2 44 1 "Not handling restraint 44, item 1, resonance(s) ' .8.QG' (nmrStar names) not linked" c34319_6hvc 1 11 2 45 1 "Not handling restraint 45, item 1, resonance(s) ' .8.QD' (nmrStar names) not linked" c34319_6hvc 1 12 2 46 1 "Not handling restraint 46, item 1, resonance(s) ' .8.QH' (nmrStar names),' .8.HG2' (nmrStar names) not linked" c34319_6hvc 1 13 2 47 1 "Not handling restraint 47, item 1, resonance(s) ' .8.QH' (nmrStar names),' .8.HG3' (nmrStar names) not linked" c34319_6hvc 1 14 2 48 1 "Not handling restraint 48, item 1, resonance(s) ' .8.QG' (nmrStar names),' .8.QH' (nmrStar names) not linked" c34319_6hvc 1 15 2 49 1 "Not handling restraint 49, item 1, resonance(s) ' .8.HA' (nmrStar names) not linked" c34319_6hvc 1 16 2 50 1 "Not handling restraint 50, item 1, resonance(s) ' .8.HB2' (nmrStar names),' .8.QE' (nmrStar names) not linked" c34319_6hvc 1 17 2 51 1 "Not handling restraint 51, item 1, resonance(s) ' .8.QE' (nmrStar names),' .8.HB3' (nmrStar names) not linked" c34319_6hvc 1 18 2 52 1 "Not handling restraint 52, item 1, resonance(s) ' .8.QB' (nmrStar names),' .8.QE' (nmrStar names) not linked" c34319_6hvc 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 c34319_6hvc _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 PEPTIDE BINDING PROTEIN 10-OCT-18 6HVC *TITLE NMR STRUCTURE OF UROTENSIN PEPTIDE ASP-C[CYS-PHE-TRP-(N-ME)LYS-TYR- *TITLE 2 CYS]-VAL IN SDS SOLUTION *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: UROTENSIN-2; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: UROTENSIN II,UII; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 4 ORGANISM_COMMON: HUMAN; *SOURCE 5 ORGANISM_TAXID: 9606 *KEYWDS G PROTEIN-COUPLED RECEPTOR, UROTENSIN II RECEPTOR, NMR SOLUTIONS, *KEYWDS 2 SDS, N-METHYLATION, PEPTIDE BINDING PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR D.BRANCACCIO,A.CAROTENUTO,F.MERLINO,E.BILLARD,A.M.YOUSIF,S.DI MARO, *AUTHOR 2 L.ABATE,R.BELLAVITA,R.D'EMMANUELE DI VILLA BIANCA,P.SANTICIOLI, *AUTHOR 3 L.MARINELLI,E.NOVELLINO,T.E.HEBERT,W.D.LUBELL,D.CHATENET,P.GRIECO *REVDAT 1 16-JAN-19 6HVC 0" save_