data_4151 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4151 _Entry.Title ; 1H, 13C, and 15N Assignment and Secondary Structure of the High pH Form of Subunit c of the F1FO ATP Synthase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-06-19 _Entry.Accession_date 1998-06-19 _Entry.Last_release_date 2015-05-07 _Entry.Original_release_date 2015-05-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.77 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . 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 Vinit Rastogi . K. . . 4151 2 Mark Girvin . E. . . 4151 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4151 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 315 4151 '15N chemical shifts' 80 4151 '1H chemical shifts' 503 4151 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 2 . . 2008-07-28 1998-06-19 update BMRB 'Updating non-standard residue' 4151 1 . . 2000-03-02 1998-06-19 original BMRB . 4151 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4146 'pH5.0 structure' 4151 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4151 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99169956 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Rastogi, V. K., Girvin, M. E. "1H, 13C, and 15N Assignments and Secondary Structure of the High pH Form of Subunit c of the F1FO ATP Synthase," J. Biomol. NMR 13, 91-92 (1999). ; _Citation.Title ; 1H, 13C, and 15N Assignment and Secondary Structure of the High pH Form of Subunit c of the F1FO ATP Synthase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 13 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _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 91 _Citation.Page_last 92 _Citation.Year 1999 _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 Vinit Rastogi . K. . . 4151 1 2 Mark Girvin . E. . . 4151 1 stop_ save_ save_citation_one _Citation.Sf_category citations _Citation.Sf_framecode citation_one _Citation.Entry_ID 4151 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8589602 _Citation.Full_citation ; Wishart, D. S., Bigam, C. G., Yao, J., Abildgaard, F., Dyson, H. J., Oldfield, E., Markley, J. L., and Sykes, B. D. J. Biomol. NMR 6, 135-140 (1995). ; _Citation.Title ; 1H, 13C and 15N chemical shift referencing in biomolecular NMR. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _Citation.Journal_CSD . _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 135 _Citation.Page_last 140 _Citation.Year 1995 _Citation.Details ; A considerable degree of variability exists in the way that 1H, 13C and 15N chemical shifts are reported and referenced for biomolecules. In this article we explore some of the reasons for this situation and propose guidelines for future chemical shift referencing and for conversion from many common 1H, 13C and 15N chemical shift standards, now used in biomolecular NMR, to those proposed here. ; 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 'D S' Wishart D. S. . . 4151 2 2 'C G' Bigam C. G. . . 4151 2 3 J Yao J. . . . 4151 2 4 F Abildgaard F. . . . 4151 2 5 'H J' Dyson H. J. . . 4151 2 6 E Oldfield E. . . . 4151 2 7 'J L' Markley J. L. . . 4151 2 8 'B D' Sykes B. D. . . 4151 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_F1FO-ATP-c _Assembly.Sf_category assembly _Assembly.Sf_framecode system_F1FO-ATP-c _Assembly.Entry_ID 4151 _Assembly.ID 1 _Assembly.Name 'F1FO ATP Synthase Subunit c' _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 3.6.1.34 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4151 1 stop_ 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 F1FO-ATP-c 1 $F1FO-ATP-c . . yes native . . . . . 4151 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'F1FO ATP Synthase Subunit c' system 4151 1 F1FO-ATP-c abbreviation 4151 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_F1FO-ATP-c _Entity.Sf_category entity _Entity.Sf_framecode F1FO-ATP-c _Entity.Entry_ID 4151 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'F1FO ATP Synthase Subunit c' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; XENLNMDLLYMAAAVMMGLA AIGAAIGIGILGGKFLEGAA RQPDLIPLLRTQFFIVMGLV DAIPMIAVGLGLYVMFAVA ; _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 . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 79 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 'F1FO ATP Synthase Subunit c' common 4151 1 F1FO-ATP-c abbreviation 4151 1 'proteolipid, DCCD-binding protein' variant 4151 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 . FME . 4151 1 2 . GLU . 4151 1 3 . ASN . 4151 1 4 . LEU . 4151 1 5 . ASN . 4151 1 6 . MET . 4151 1 7 . ASP . 4151 1 8 . LEU . 4151 1 9 . LEU . 4151 1 10 . TYR . 4151 1 11 . MET . 4151 1 12 . ALA . 4151 1 13 . ALA . 4151 1 14 . ALA . 4151 1 15 . VAL . 4151 1 16 . MET . 4151 1 17 . MET . 4151 1 18 . GLY . 4151 1 19 . LEU . 4151 1 20 . ALA . 4151 1 21 . ALA . 4151 1 22 . ILE . 4151 1 23 . GLY . 4151 1 24 . ALA . 4151 1 25 . ALA . 4151 1 26 . ILE . 4151 1 27 . GLY . 4151 1 28 . ILE . 4151 1 29 . GLY . 4151 1 30 . ILE . 4151 1 31 . LEU . 4151 1 32 . GLY . 4151 1 33 . GLY . 4151 1 34 . LYS . 4151 1 35 . PHE . 4151 1 36 . LEU . 4151 1 37 . GLU . 4151 1 38 . GLY . 4151 1 39 . ALA . 4151 1 40 . ALA . 4151 1 41 . ARG . 4151 1 42 . GLN . 4151 1 43 . PRO . 4151 1 44 . ASP . 4151 1 45 . LEU . 4151 1 46 . ILE . 4151 1 47 . PRO . 4151 1 48 . LEU . 4151 1 49 . LEU . 4151 1 50 . ARG . 4151 1 51 . THR . 4151 1 52 . GLN . 4151 1 53 . PHE . 4151 1 54 . PHE . 4151 1 55 . ILE . 4151 1 56 . VAL . 4151 1 57 . MET . 4151 1 58 . GLY . 4151 1 59 . LEU . 4151 1 60 . VAL . 4151 1 61 . ASP . 4151 1 62 . ALA . 4151 1 63 . ILE . 4151 1 64 . PRO . 4151 1 65 . MET . 4151 1 66 . ILE . 4151 1 67 . ALA . 4151 1 68 . VAL . 4151 1 69 . GLY . 4151 1 70 . LEU . 4151 1 71 . GLY . 4151 1 72 . LEU . 4151 1 73 . TYR . 4151 1 74 . VAL . 4151 1 75 . MET . 4151 1 76 . PHE . 4151 1 77 . ALA . 4151 1 78 . VAL . 4151 1 79 . ALA . 4151 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 . FME 1 1 4151 1 . GLU 2 2 4151 1 . ASN 3 3 4151 1 . LEU 4 4 4151 1 . ASN 5 5 4151 1 . MET 6 6 4151 1 . ASP 7 7 4151 1 . LEU 8 8 4151 1 . LEU 9 9 4151 1 . TYR 10 10 4151 1 . MET 11 11 4151 1 . ALA 12 12 4151 1 . ALA 13 13 4151 1 . ALA 14 14 4151 1 . VAL 15 15 4151 1 . MET 16 16 4151 1 . MET 17 17 4151 1 . GLY 18 18 4151 1 . LEU 19 19 4151 1 . ALA 20 20 4151 1 . ALA 21 21 4151 1 . ILE 22 22 4151 1 . GLY 23 23 4151 1 . ALA 24 24 4151 1 . ALA 25 25 4151 1 . ILE 26 26 4151 1 . GLY 27 27 4151 1 . ILE 28 28 4151 1 . GLY 29 29 4151 1 . ILE 30 30 4151 1 . LEU 31 31 4151 1 . GLY 32 32 4151 1 . GLY 33 33 4151 1 . LYS 34 34 4151 1 . PHE 35 35 4151 1 . LEU 36 36 4151 1 . GLU 37 37 4151 1 . GLY 38 38 4151 1 . ALA 39 39 4151 1 . ALA 40 40 4151 1 . ARG 41 41 4151 1 . GLN 42 42 4151 1 . PRO 43 43 4151 1 . ASP 44 44 4151 1 . LEU 45 45 4151 1 . ILE 46 46 4151 1 . PRO 47 47 4151 1 . LEU 48 48 4151 1 . LEU 49 49 4151 1 . ARG 50 50 4151 1 . THR 51 51 4151 1 . GLN 52 52 4151 1 . PHE 53 53 4151 1 . PHE 54 54 4151 1 . ILE 55 55 4151 1 . VAL 56 56 4151 1 . MET 57 57 4151 1 . GLY 58 58 4151 1 . LEU 59 59 4151 1 . VAL 60 60 4151 1 . ASP 61 61 4151 1 . ALA 62 62 4151 1 . ILE 63 63 4151 1 . PRO 64 64 4151 1 . MET 65 65 4151 1 . ILE 66 66 4151 1 . ALA 67 67 4151 1 . VAL 68 68 4151 1 . GLY 69 69 4151 1 . LEU 70 70 4151 1 . GLY 71 71 4151 1 . LEU 72 72 4151 1 . TYR 73 73 4151 1 . VAL 74 74 4151 1 . MET 75 75 4151 1 . PHE 76 76 4151 1 . ALA 77 77 4151 1 . VAL 78 78 4151 1 . ALA 79 79 4151 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 4151 _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 $F1FO-ATP-c . 562 organism . 'Escherichia coli' 'Escherichia coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . 4151 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 4151 _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 $F1FO-ATP-c . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli . . . . . . . . . . 4151 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_FME _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_FME _Chem_comp.Entry_ID 4151 _Chem_comp.ID FME _Chem_comp.Provenance PDB _Chem_comp.Name N-FORMYLMETHIONINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code . _Chem_comp.PDB_code FME _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code M _Chem_comp.Three_letter_code FME _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _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 MET _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 no _Chem_comp.Formula 'C6 H11 N O3 S' _Chem_comp.Formula_weight 177.221 _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 . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1BQ9 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Jul 13 14:41:51 2011 ; _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 CSCCC(C(=O)O)NC=O SMILES 'OpenEye OEToolkits' 1.5.0 4151 FME CSCC[C@@H](C(=O)O)NC=O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4151 FME CSCC[C@H](NC=O)C(O)=O SMILES_CANONICAL CACTVS 3.341 4151 FME CSCC[CH](NC=O)C(O)=O SMILES CACTVS 3.341 4151 FME InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1 InChI InChI 1.03 4151 FME O=CNC(C(=O)O)CCSC SMILES ACDLabs 10.04 4151 FME PYUSHNKNPOHWEZ-YFKPBYRVSA-N InChIKey InChI 1.03 4151 FME 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)-2-formamido-4-methylsulfanyl-butanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4151 FME N-formyl-L-methionine 'SYSTEMATIC NAME' ACDLabs 10.04 4151 FME 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 . . N 0 . . . . no no . . . . 23.447 . -5.765 . 5.119 . 0.999 0.704 -1.069 1 . 4151 FME CN . CN . . C . . N 0 . . . . no no . . . . 23.308 . -6.776 . 4.291 . 2.093 0.373 -1.783 2 . 4151 FME O1 . O1 . . O . . N 0 . . . . no no . . . . 22.504 . -6.713 . 3.357 . 2.179 -0.727 -2.285 3 . 4151 FME CA . CA . . C . . S 0 . . . . no no . . . . 22.488 . -4.745 . 5.410 . -0.086 -0.264 -0.900 4 . 4151 FME CB . CB . . C . . N 0 . . . . no no . . . . 22.433 . -4.342 . 6.827 . -0.785 -0.018 0.437 5 . 4151 FME CG . CG . . C . . N 0 . . . . no no . . . . 22.198 . -5.618 . 7.751 . 0.222 -0.179 1.576 6 . 4151 FME SD . SD . . S . . N 0 . . . . no no . . . . 20.445 . -6.032 . 7.772 . -0.606 0.111 3.164 7 . 4151 FME CE . CE . . C . . N 0 . . . . no no . . . . 20.476 . -7.587 . 8.656 . 0.787 -0.138 4.297 8 . 4151 FME C . C . . C . . N 0 . . . . no no . . . . 22.699 . -3.530 . 4.487 . -1.080 -0.105 -2.023 9 . 4151 FME O . O . . O . . N 0 . . . . no no . . . . 23.804 . -3.248 . 4.077 . -1.712 -1.059 -2.408 10 . 4151 FME OXT . OXT . . O . . N 0 . . . . no yes . . . . 21.633 . -2.939 . 4.043 . -1.261 1.095 -2.593 11 . 4151 FME H . H . . H . . N 0 . . . . no no . . . . 24.363 . -5.772 . 5.567 . 0.930 1.584 -0.667 12 . 4151 FME HCN . HCN . . H . . N 0 . . . . no no . . . . 23.886 . -7.710 . 4.383 . 2.893 1.087 -1.907 13 . 4151 FME HA . HA . . H . . N 0 . . . . no no . . . . 21.489 . -5.197 . 5.204 . 0.322 -1.274 -0.917 14 . 4151 FME HB2 . HB2 . . H . . N 0 . . . . no no . . . . 23.338 . -3.766 . 7.132 . -1.593 -0.739 0.563 15 . 4151 FME HB3 . HB3 . . H . . N 0 . . . . no no . . . . 21.668 . -3.550 . 7.006 . -1.194 0.991 0.454 16 . 4151 FME HG2 . HG2 . . H . . N 0 . . . . no no . . . . 22.831 . -6.482 . 7.443 . 1.030 0.541 1.451 17 . 4151 FME HG3 . HG3 . . H . . N 0 . . . . no no . . . . 22.609 . -5.475 . 8.777 . 0.631 -1.190 1.560 18 . 4151 FME HE1 . HE1 . . H . . N 0 . . . . no no . . . . 19.390 . -7.843 . 8.669 . 0.450 0.003 5.324 19 . 4151 FME HE2 . HE2 . . H . . N 0 . . . . no no . . . . 21.148 . -8.367 . 8.230 . 1.174 -1.150 4.179 20 . 4151 FME HE3 . HE3 . . H . . N 0 . . . . no no . . . . 20.975 . -7.562 . 9.652 . 1.574 0.580 4.070 21 . 4151 FME HXT . HXT . . H . . N 0 . . . . no yes . . . . 21.763 . -2.189 . 3.473 . -1.899 1.197 -3.313 22 . 4151 FME 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 N CN no N 1 . 4151 FME 2 . SING N CA no N 2 . 4151 FME 3 . SING N H no N 3 . 4151 FME 4 . DOUB CN O1 no N 4 . 4151 FME 5 . SING CN HCN no N 5 . 4151 FME 6 . SING CA CB no N 6 . 4151 FME 7 . SING CA C no N 7 . 4151 FME 8 . SING CA HA no N 8 . 4151 FME 9 . SING CB CG no N 9 . 4151 FME 10 . SING CB HB2 no N 10 . 4151 FME 11 . SING CB HB3 no N 11 . 4151 FME 12 . SING CG SD no N 12 . 4151 FME 13 . SING CG HG2 no N 13 . 4151 FME 14 . SING CG HG3 no N 14 . 4151 FME 15 . SING SD CE no N 15 . 4151 FME 16 . SING CE HE1 no N 16 . 4151 FME 17 . SING CE HE2 no N 17 . 4151 FME 18 . SING CE HE3 no N 18 . 4151 FME 19 . DOUB C O no N 19 . 4151 FME 20 . SING C OXT no N 20 . 4151 FME 21 . SING OXT HXT no N 21 . 4151 FME stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4151 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'F1FO ATP Synthase Subunit c' '[U98%-13C; U98%-15N]' . . 1 $F1FO-ATP-c . . . 1.5 2.0 mM . . . . 4151 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4151 _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 pH 8.0 0.0 n/a 4151 1 temperature 300 . K 4151 1 stop_ save_ ############################ # Computer software used # ############################ save_software_one _Software.Sf_category software _Software.Sf_framecode software_one _Software.Entry_ID 4151 _Software.ID 1 _Software.Name NMRPipe _Software.Version 1.6 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectral data processing' 4151 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4151 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4151 _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_one Bruker DRX . 600 . . . 4151 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 4151 _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 '1H-15N HSQC' . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4151 1 2 'CT 1H-13C HSQC' . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4151 1 3 HNCO . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4151 1 4 '1H-15N TOCSY-HSQC' . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4151 1 5 H(CCO)NH . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4151 1 6 C(CO)NH . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4151 1 7 HNCACB . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4151 1 8 HCCH-COSY . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4151 1 9 HCCH-TOCSY . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4151 1 10 '1H-15N HMQC-NOESY-HSQC' . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4151 1 11 '1H-15N NOESY-HSQC' . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4151 1 12 HNHA . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4151 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4151 _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 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . . . 4151 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_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4151 _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_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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 '1H-15N HSQC' 1 $sample_one . 4151 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.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 FME H H 1 8.63 . . 1 . . . . . . . . 4151 1 2 . 1 1 1 1 FME HA H 1 4.42 . . 1 . . . . . . . . 4151 1 3 . 1 1 1 1 FME HB2 H 1 2.02 . . 2 . . . . . . . . 4151 1 4 . 1 1 1 1 FME HB3 H 1 2.14 . . 2 . . . . . . . . 4151 1 5 . 1 1 1 1 FME HG2 H 1 2.57 . . 2 . . . . . . . . 4151 1 6 . 1 1 1 1 FME HG3 H 1 2.64 . . 2 . . . . . . . . 4151 1 7 . 1 1 1 1 FME C C 13 176.21 . . 1 . . . . . . . . 4151 1 8 . 1 1 1 1 FME CA C 13 55.38 . . 1 . . . . . . . . 4151 1 9 . 1 1 1 1 FME CB C 13 33.01 . . 1 . . . . . . . . 4151 1 10 . 1 1 1 1 FME CG C 13 32.9 . . 1 . . . . . . . . 4151 1 11 . 1 1 1 1 FME N N 15 127.66 . . 1 . . . . . . . . 4151 1 12 . 1 1 2 2 GLU H H 1 9.42 . . 1 . . . . . . . . 4151 1 13 . 1 1 2 2 GLU HA H 1 4.18 . . 1 . . . . . . . . 4151 1 14 . 1 1 2 2 GLU HB2 H 1 2.01 . . 2 . . . . . . . . 4151 1 15 . 1 1 2 2 GLU HG2 H 1 2.31 . . 2 . . . . . . . . 4151 1 16 . 1 1 2 2 GLU C C 13 176.39 . . 1 . . . . . . . . 4151 1 17 . 1 1 2 2 GLU CA C 13 58.44 . . 1 . . . . . . . . 4151 1 18 . 1 1 2 2 GLU CB C 13 29.14 . . 1 . . . . . . . . 4151 1 19 . 1 1 2 2 GLU CG C 13 36.23 . . 1 . . . . . . . . 4151 1 20 . 1 1 2 2 GLU N N 15 120.17 . . 1 . . . . . . . . 4151 1 21 . 1 1 3 3 ASN H H 1 8.09 . . 1 . . . . . . . . 4151 1 22 . 1 1 3 3 ASN HA H 1 4.64 . . 1 . . . . . . . . 4151 1 23 . 1 1 3 3 ASN HB2 H 1 2.72 . . 2 . . . . . . . . 4151 1 24 . 1 1 3 3 ASN HB3 H 1 2.85 . . 2 . . . . . . . . 4151 1 25 . 1 1 3 3 ASN HD21 H 1 6.79 . . 2 . . . . . . . . 4151 1 26 . 1 1 3 3 ASN HD22 H 1 7.63 . . 2 . . . . . . . . 4151 1 27 . 1 1 3 3 ASN C C 13 175.21 . . 1 . . . . . . . . 4151 1 28 . 1 1 3 3 ASN CA C 13 54.23 . . 1 . . . . . . . . 4151 1 29 . 1 1 3 3 ASN CB C 13 39.1 . . 1 . . . . . . . . 4151 1 30 . 1 1 3 3 ASN N N 15 117.12 . . 1 . . . . . . . . 4151 1 31 . 1 1 3 3 ASN ND2 N 15 111.16 . . 1 . . . . . . . . 4151 1 32 . 1 1 4 4 LEU H H 1 7.91 . . 1 . . . . . . . . 4151 1 33 . 1 1 4 4 LEU HA H 1 4.27 . . 1 . . . . . . . . 4151 1 34 . 1 1 4 4 LEU HB2 H 1 1.67 . . 2 . . . . . . . . 4151 1 35 . 1 1 4 4 LEU HG H 1 1.69 . . 1 . . . . . . . . 4151 1 36 . 1 1 4 4 LEU HD11 H 1 0.94 . . 2 . . . . . . . . 4151 1 37 . 1 1 4 4 LEU HD12 H 1 0.94 . . 2 . . . . . . . . 4151 1 38 . 1 1 4 4 LEU HD13 H 1 0.94 . . 2 . . . . . . . . 4151 1 39 . 1 1 4 4 LEU HD21 H 1 0.98 . . 2 . . . . . . . . 4151 1 40 . 1 1 4 4 LEU HD22 H 1 0.98 . . 2 . . . . . . . . 4151 1 41 . 1 1 4 4 LEU HD23 H 1 0.98 . . 2 . . . . . . . . 4151 1 42 . 1 1 4 4 LEU C C 13 176.71 . . 1 . . . . . . . . 4151 1 43 . 1 1 4 4 LEU CA C 13 56.49 . . 1 . . . . . . . . 4151 1 44 . 1 1 4 4 LEU CB C 13 42.18 . . 1 . . . . . . . . 4151 1 45 . 1 1 4 4 LEU CG C 13 27.33 . . 1 . . . . . . . . 4151 1 46 . 1 1 4 4 LEU N N 15 120.81 . . 1 . . . . . . . . 4151 1 47 . 1 1 5 5 ASN H H 1 8.05 . . 1 . . . . . . . . 4151 1 48 . 1 1 5 5 ASN HA H 1 4.57 . . 1 . . . . . . . . 4151 1 49 . 1 1 5 5 ASN HB2 H 1 2.83 . . 2 . . . . . . . . 4151 1 50 . 1 1 5 5 ASN HD21 H 1 6.72 . . 2 . . . . . . . . 4151 1 51 . 1 1 5 5 ASN HD22 H 1 7.53 . . 2 . . . . . . . . 4151 1 52 . 1 1 5 5 ASN C C 13 176.32 . . 1 . . . . . . . . 4151 1 53 . 1 1 5 5 ASN CA C 13 54.86 . . 1 . . . . . . . . 4151 1 54 . 1 1 5 5 ASN CB C 13 38.74 . . 1 . . . . . . . . 4151 1 55 . 1 1 5 5 ASN N N 15 116.53 . . 1 . . . . . . . . 4151 1 56 . 1 1 5 5 ASN ND2 N 15 109.53 . . 1 . . . . . . . . 4151 1 57 . 1 1 6 6 MET H H 1 8.14 . . 1 . . . . . . . . 4151 1 58 . 1 1 6 6 MET HA H 1 4.29 . . 1 . . . . . . . . 4151 1 59 . 1 1 6 6 MET HB2 H 1 2.1 . . 2 . . . . . . . . 4151 1 60 . 1 1 6 6 MET HG2 H 1 2.56 . . 2 . . . . . . . . 4151 1 61 . 1 1 6 6 MET HG3 H 1 2.66 . . 2 . . . . . . . . 4151 1 62 . 1 1 6 6 MET C C 13 177.07 . . 1 . . . . . . . . 4151 1 63 . 1 1 6 6 MET CA C 13 57.32 . . 1 . . . . . . . . 4151 1 64 . 1 1 6 6 MET CB C 13 32.21 . . 1 . . . . . . . . 4151 1 65 . 1 1 6 6 MET CG C 13 32.69 . . 1 . . . . . . . . 4151 1 66 . 1 1 6 6 MET N N 15 119.2 . . 1 . . . . . . . . 4151 1 67 . 1 1 7 7 ASP H H 1 8.22 . . 1 . . . . . . . . 4151 1 68 . 1 1 7 7 ASP HA H 1 4.44 . . 1 . . . . . . . . 4151 1 69 . 1 1 7 7 ASP HB2 H 1 2.7 . . 2 . . . . . . . . 4151 1 70 . 1 1 7 7 ASP HB3 H 1 2.86 . . 2 . . . . . . . . 4151 1 71 . 1 1 7 7 ASP C C 13 176.4 . . 1 . . . . . . . . 4151 1 72 . 1 1 7 7 ASP CA C 13 57.58 . . 1 . . . . . . . . 4151 1 73 . 1 1 7 7 ASP CB C 13 39.89 . . 1 . . . . . . . . 4151 1 74 . 1 1 7 7 ASP N N 15 119.63 . . 1 . . . . . . . . 4151 1 75 . 1 1 8 8 LEU H H 1 7.99 . . 1 . . . . . . . . 4151 1 76 . 1 1 8 8 LEU HA H 1 4.12 . . 1 . . . . . . . . 4151 1 77 . 1 1 8 8 LEU HB2 H 1 1.63 . . 2 . . . . . . . . 4151 1 78 . 1 1 8 8 LEU HB3 H 1 1.85 . . 2 . . . . . . . . 4151 1 79 . 1 1 8 8 LEU HD11 H 1 0.97 . . 2 . . . . . . . . 4151 1 80 . 1 1 8 8 LEU HD12 H 1 0.97 . . 2 . . . . . . . . 4151 1 81 . 1 1 8 8 LEU HD13 H 1 0.97 . . 2 . . . . . . . . 4151 1 82 . 1 1 8 8 LEU C C 13 178.61 . . 1 . . . . . . . . 4151 1 83 . 1 1 8 8 LEU CA C 13 58.1 . . 1 . . . . . . . . 4151 1 84 . 1 1 8 8 LEU CB C 13 41.99 . . 1 . . . . . . . . 4151 1 85 . 1 1 8 8 LEU N N 15 118.78 . . 1 . . . . . . . . 4151 1 86 . 1 1 9 9 LEU H H 1 7.67 . . 1 . . . . . . . . 4151 1 87 . 1 1 9 9 LEU HA H 1 4.08 . . 1 . . . . . . . . 4151 1 88 . 1 1 9 9 LEU HB2 H 1 1.68 . . 2 . . . . . . . . 4151 1 89 . 1 1 9 9 LEU HB3 H 1 1.84 . . 2 . . . . . . . . 4151 1 90 . 1 1 9 9 LEU HD11 H 1 0.93 . . 2 . . . . . . . . 4151 1 91 . 1 1 9 9 LEU HD12 H 1 0.93 . . 2 . . . . . . . . 4151 1 92 . 1 1 9 9 LEU HD13 H 1 0.93 . . 2 . . . . . . . . 4151 1 93 . 1 1 9 9 LEU C C 13 178.71 . . 1 . . . . . . . . 4151 1 94 . 1 1 9 9 LEU CA C 13 58.14 . . 1 . . . . . . . . 4151 1 95 . 1 1 9 9 LEU CB C 13 41.64 . . 1 . . . . . . . . 4151 1 96 . 1 1 9 9 LEU N N 15 118.94 . . 1 . . . . . . . . 4151 1 97 . 1 1 10 10 TYR H H 1 8.14 . . 1 . . . . . . . . 4151 1 98 . 1 1 10 10 TYR HA H 1 4.22 . . 1 . . . . . . . . 4151 1 99 . 1 1 10 10 TYR HB2 H 1 3.17 . . 2 . . . . . . . . 4151 1 100 . 1 1 10 10 TYR HD1 H 1 7.12 . . 1 . . . . . . . . 4151 1 101 . 1 1 10 10 TYR HD2 H 1 7.12 . . 1 . . . . . . . . 4151 1 102 . 1 1 10 10 TYR HE1 H 1 6.75 . . 1 . . . . . . . . 4151 1 103 . 1 1 10 10 TYR HE2 H 1 6.75 . . 1 . . . . . . . . 4151 1 104 . 1 1 10 10 TYR C C 13 178.1 . . 1 . . . . . . . . 4151 1 105 . 1 1 10 10 TYR CA C 13 61.36 . . 1 . . . . . . . . 4151 1 106 . 1 1 10 10 TYR CB C 13 38.08 . . 1 . . . . . . . . 4151 1 107 . 1 1 10 10 TYR CD1 C 13 132.58 . . 1 . . . . . . . . 4151 1 108 . 1 1 10 10 TYR CD2 C 13 132.58 . . 1 . . . . . . . . 4151 1 109 . 1 1 10 10 TYR CE1 C 13 117.78 . . 1 . . . . . . . . 4151 1 110 . 1 1 10 10 TYR CE2 C 13 117.78 . . 1 . . . . . . . . 4151 1 111 . 1 1 10 10 TYR N N 15 118.32 . . 1 . . . . . . . . 4151 1 112 . 1 1 11 11 MET H H 1 8.19 . . 1 . . . . . . . . 4151 1 113 . 1 1 11 11 MET HA H 1 4.15 . . 1 . . . . . . . . 4151 1 114 . 1 1 11 11 MET HB2 H 1 2.22 . . 2 . . . . . . . . 4151 1 115 . 1 1 11 11 MET HB3 H 1 2.3 . . 2 . . . . . . . . 4151 1 116 . 1 1 11 11 MET HG2 H 1 2.61 . . 2 . . . . . . . . 4151 1 117 . 1 1 11 11 MET HG3 H 1 2.76 . . 2 . . . . . . . . 4151 1 118 . 1 1 11 11 MET C C 13 177.48 . . 1 . . . . . . . . 4151 1 119 . 1 1 11 11 MET CA C 13 58.95 . . 1 . . . . . . . . 4151 1 120 . 1 1 11 11 MET CB C 13 32.74 . . 1 . . . . . . . . 4151 1 121 . 1 1 11 11 MET CG C 13 33.07 . . 1 . . . . . . . . 4151 1 122 . 1 1 11 11 MET N N 15 117.8 . . 1 . . . . . . . . 4151 1 123 . 1 1 12 12 ALA H H 1 8.38 . . 1 . . . . . . . . 4151 1 124 . 1 1 12 12 ALA HA H 1 4.03 . . 1 . . . . . . . . 4151 1 125 . 1 1 12 12 ALA HB1 H 1 1.59 . . 1 . . . . . . . . 4151 1 126 . 1 1 12 12 ALA HB2 H 1 1.59 . . 1 . . . . . . . . 4151 1 127 . 1 1 12 12 ALA HB3 H 1 1.59 . . 1 . . . . . . . . 4151 1 128 . 1 1 12 12 ALA C C 13 179.38 . . 1 . . . . . . . . 4151 1 129 . 1 1 12 12 ALA CA C 13 55.7 . . 1 . . . . . . . . 4151 1 130 . 1 1 12 12 ALA CB C 13 18.38 . . 1 . . . . . . . . 4151 1 131 . 1 1 12 12 ALA N N 15 120.8 . . 1 . . . . . . . . 4151 1 132 . 1 1 13 13 ALA H H 1 8.24 . . 1 . . . . . . . . 4151 1 133 . 1 1 13 13 ALA HA H 1 4.04 . . 1 . . . . . . . . 4151 1 134 . 1 1 13 13 ALA HB1 H 1 1.55 . . 1 . . . . . . . . 4151 1 135 . 1 1 13 13 ALA HB2 H 1 1.55 . . 1 . . . . . . . . 4151 1 136 . 1 1 13 13 ALA HB3 H 1 1.55 . . 1 . . . . . . . . 4151 1 137 . 1 1 13 13 ALA C C 13 179.04 . . 1 . . . . . . . . 4151 1 138 . 1 1 13 13 ALA CA C 13 55.64 . . 1 . . . . . . . . 4151 1 139 . 1 1 13 13 ALA CB C 13 18.39 . . 1 . . . . . . . . 4151 1 140 . 1 1 13 13 ALA N N 15 119.65 . . 1 . . . . . . . . 4151 1 141 . 1 1 14 14 ALA H H 1 8.18 . . 1 . . . . . . . . 4151 1 142 . 1 1 14 14 ALA HA H 1 4.05 . . 1 . . . . . . . . 4151 1 143 . 1 1 14 14 ALA HB1 H 1 1.56 . . 1 . . . . . . . . 4151 1 144 . 1 1 14 14 ALA HB2 H 1 1.56 . . 1 . . . . . . . . 4151 1 145 . 1 1 14 14 ALA HB3 H 1 1.56 . . 1 . . . . . . . . 4151 1 146 . 1 1 14 14 ALA C C 13 180.55 . . 1 . . . . . . . . 4151 1 147 . 1 1 14 14 ALA CA C 13 55.77 . . 1 . . . . . . . . 4151 1 148 . 1 1 14 14 ALA CB C 13 18.22 . . 1 . . . . . . . . 4151 1 149 . 1 1 14 14 ALA N N 15 120.44 . . 1 . . . . . . . . 4151 1 150 . 1 1 15 15 VAL H H 1 8.31 . . 1 . . . . . . . . 4151 1 151 . 1 1 15 15 VAL HA H 1 3.71 . . 1 . . . . . . . . 4151 1 152 . 1 1 15 15 VAL HB H 1 2.28 . . 2 . . . . . . . . 4151 1 153 . 1 1 15 15 VAL HG11 H 1 0.99 . . 4 . . . . . . . . 4151 1 154 . 1 1 15 15 VAL HG12 H 1 0.99 . . 4 . . . . . . . . 4151 1 155 . 1 1 15 15 VAL HG13 H 1 0.99 . . 4 . . . . . . . . 4151 1 156 . 1 1 15 15 VAL HG21 H 1 1.13 . . 4 . . . . . . . . 4151 1 157 . 1 1 15 15 VAL HG22 H 1 1.13 . . 4 . . . . . . . . 4151 1 158 . 1 1 15 15 VAL HG23 H 1 1.13 . . 4 . . . . . . . . 4151 1 159 . 1 1 15 15 VAL C C 13 178.07 . . 1 . . . . . . . . 4151 1 160 . 1 1 15 15 VAL CA C 13 66.78 . . 1 . . . . . . . . 4151 1 161 . 1 1 15 15 VAL CB C 13 31.72 . . 1 . . . . . . . . 4151 1 162 . 1 1 15 15 VAL CG2 C 13 23.44 . . 1 . . . . . . . . 4151 1 163 . 1 1 15 15 VAL N N 15 118.94 . . 1 . . . . . . . . 4151 1 164 . 1 1 16 16 MET H H 1 8.33 . . 1 . . . . . . . . 4151 1 165 . 1 1 16 16 MET HA H 1 4.12 . . 1 . . . . . . . . 4151 1 166 . 1 1 16 16 MET HB2 H 1 2.18 . . 2 . . . . . . . . 4151 1 167 . 1 1 16 16 MET HB3 H 1 2.28 . . 2 . . . . . . . . 4151 1 168 . 1 1 16 16 MET HG2 H 1 2.6 . . 2 . . . . . . . . 4151 1 169 . 1 1 16 16 MET HG3 H 1 2.77 . . 2 . . . . . . . . 4151 1 170 . 1 1 16 16 MET C C 13 178.5 . . 1 . . . . . . . . 4151 1 171 . 1 1 16 16 MET CA C 13 59.44 . . 1 . . . . . . . . 4151 1 172 . 1 1 16 16 MET CB C 13 33.15 . . 1 . . . . . . . . 4151 1 173 . 1 1 16 16 MET N N 15 118.37 . . 1 . . . . . . . . 4151 1 174 . 1 1 17 17 MET H H 1 8.57 . . 1 . . . . . . . . 4151 1 175 . 1 1 17 17 MET HA H 1 4.18 . . 1 . . . . . . . . 4151 1 176 . 1 1 17 17 MET HB2 H 1 2.15 . . 2 . . . . . . . . 4151 1 177 . 1 1 17 17 MET HB3 H 1 2.28 . . 2 . . . . . . . . 4151 1 178 . 1 1 17 17 MET HG2 H 1 2.61 . . 2 . . . . . . . . 4151 1 179 . 1 1 17 17 MET HG3 H 1 2.77 . . 2 . . . . . . . . 4151 1 180 . 1 1 17 17 MET C C 13 178.48 . . 1 . . . . . . . . 4151 1 181 . 1 1 17 17 MET CA C 13 59.01 . . 1 . . . . . . . . 4151 1 182 . 1 1 17 17 MET CB C 13 33.16 . . 1 . . . . . . . . 4151 1 183 . 1 1 17 17 MET CG C 13 33.22 . . 1 . . . . . . . . 4151 1 184 . 1 1 17 17 MET N N 15 117.74 . . 1 . . . . . . . . 4151 1 185 . 1 1 18 18 GLY H H 1 8.37 . . 1 . . . . . . . . 4151 1 186 . 1 1 18 18 GLY HA2 H 1 3.88 . . 2 . . . . . . . . 4151 1 187 . 1 1 18 18 GLY C C 13 175.34 . . 1 . . . . . . . . 4151 1 188 . 1 1 18 18 GLY CA C 13 47.9 . . 1 . . . . . . . . 4151 1 189 . 1 1 18 18 GLY N N 15 107.59 . . 1 . . . . . . . . 4151 1 190 . 1 1 19 19 LEU H H 1 8.51 . . 1 . . . . . . . . 4151 1 191 . 1 1 19 19 LEU HA H 1 4.14 . . 1 . . . . . . . . 4151 1 192 . 1 1 19 19 LEU HB2 H 1 1.65 . . 2 . . . . . . . . 4151 1 193 . 1 1 19 19 LEU HB3 H 1 2.05 . . 2 . . . . . . . . 4151 1 194 . 1 1 19 19 LEU HG H 1 1.53 . . 1 . . . . . . . . 4151 1 195 . 1 1 19 19 LEU HD11 H 1 0.92 . . 4 . . . . . . . . 4151 1 196 . 1 1 19 19 LEU HD12 H 1 0.92 . . 4 . . . . . . . . 4151 1 197 . 1 1 19 19 LEU HD13 H 1 0.92 . . 4 . . . . . . . . 4151 1 198 . 1 1 19 19 LEU C C 13 179.64 . . 1 . . . . . . . . 4151 1 199 . 1 1 19 19 LEU CA C 13 58.01 . . 1 . . . . . . . . 4151 1 200 . 1 1 19 19 LEU CB C 13 41.91 . . 1 . . . . . . . . 4151 1 201 . 1 1 19 19 LEU CG C 13 26.09 . . 1 . . . . . . . . 4151 1 202 . 1 1 19 19 LEU N N 15 121.2 . . 1 . . . . . . . . 4151 1 203 . 1 1 20 20 ALA H H 1 8.31 . . 1 . . . . . . . . 4151 1 204 . 1 1 20 20 ALA HA H 1 4.14 . . 1 . . . . . . . . 4151 1 205 . 1 1 20 20 ALA HB1 H 1 1.62 . . 1 . . . . . . . . 4151 1 206 . 1 1 20 20 ALA HB2 H 1 1.62 . . 1 . . . . . . . . 4151 1 207 . 1 1 20 20 ALA HB3 H 1 1.62 . . 1 . . . . . . . . 4151 1 208 . 1 1 20 20 ALA C C 13 179.54 . . 1 . . . . . . . . 4151 1 209 . 1 1 20 20 ALA CA C 13 55.3 . . 1 . . . . . . . . 4151 1 210 . 1 1 20 20 ALA CB C 13 18.39 . . 1 . . . . . . . . 4151 1 211 . 1 1 20 20 ALA N N 15 121.71 . . 1 . . . . . . . . 4151 1 212 . 1 1 21 21 ALA H H 1 8.26 . . 1 . . . . . . . . 4151 1 213 . 1 1 21 21 ALA HA H 1 4.15 . . 1 . . . . . . . . 4151 1 214 . 1 1 21 21 ALA HB1 H 1 1.65 . . 1 . . . . . . . . 4151 1 215 . 1 1 21 21 ALA HB2 H 1 1.65 . . 1 . . . . . . . . 4151 1 216 . 1 1 21 21 ALA HB3 H 1 1.65 . . 1 . . . . . . . . 4151 1 217 . 1 1 21 21 ALA C C 13 179.91 . . 1 . . . . . . . . 4151 1 218 . 1 1 21 21 ALA CA C 13 55.38 . . 1 . . . . . . . . 4151 1 219 . 1 1 21 21 ALA CB C 13 18.42 . . 1 . . . . . . . . 4151 1 220 . 1 1 21 21 ALA N N 15 120.96 . . 1 . . . . . . . . 4151 1 221 . 1 1 22 22 ILE H H 1 8.19 . . 1 . . . . . . . . 4151 1 222 . 1 1 22 22 ILE HA H 1 3.78 . . 1 . . . . . . . . 4151 1 223 . 1 1 22 22 ILE HB H 1 2.03 . . 1 . . . . . . . . 4151 1 224 . 1 1 22 22 ILE HG12 H 1 1.91 . . 1 . . . . . . . . 4151 1 225 . 1 1 22 22 ILE HG13 H 1 1.18 . . 1 . . . . . . . . 4151 1 226 . 1 1 22 22 ILE HG21 H 1 0.95 . . 1 . . . . . . . . 4151 1 227 . 1 1 22 22 ILE HG22 H 1 0.95 . . 1 . . . . . . . . 4151 1 228 . 1 1 22 22 ILE HG23 H 1 0.95 . . 1 . . . . . . . . 4151 1 229 . 1 1 22 22 ILE HD11 H 1 0.99 . . 1 . . . . . . . . 4151 1 230 . 1 1 22 22 ILE HD12 H 1 0.99 . . 1 . . . . . . . . 4151 1 231 . 1 1 22 22 ILE HD13 H 1 0.99 . . 1 . . . . . . . . 4151 1 232 . 1 1 22 22 ILE C C 13 178.08 . . 1 . . . . . . . . 4151 1 233 . 1 1 22 22 ILE CA C 13 65.18 . . 1 . . . . . . . . 4151 1 234 . 1 1 22 22 ILE CB C 13 37.85 . . 1 . . . . . . . . 4151 1 235 . 1 1 22 22 ILE CG1 C 13 29.5 . . 1 . . . . . . . . 4151 1 236 . 1 1 22 22 ILE N N 15 118.76 . . 1 . . . . . . . . 4151 1 237 . 1 1 23 23 GLY H H 1 8.51 . . 1 . . . . . . . . 4151 1 238 . 1 1 23 23 GLY HA2 H 1 3.82 . . 2 . . . . . . . . 4151 1 239 . 1 1 23 23 GLY C C 13 175.96 . . 1 . . . . . . . . 4151 1 240 . 1 1 23 23 GLY CA C 13 48.00 . . 1 . . . . . . . . 4151 1 241 . 1 1 23 23 GLY N N 15 106.42 . . 1 . . . . . . . . 4151 1 242 . 1 1 24 24 ALA H H 1 8.48 . . 1 . . . . . . . . 4151 1 243 . 1 1 24 24 ALA HA H 1 4.21 . . 1 . . . . . . . . 4151 1 244 . 1 1 24 24 ALA HB1 H 1 1.59 . . 1 . . . . . . . . 4151 1 245 . 1 1 24 24 ALA HB2 H 1 1.59 . . 1 . . . . . . . . 4151 1 246 . 1 1 24 24 ALA HB3 H 1 1.59 . . 1 . . . . . . . . 4151 1 247 . 1 1 24 24 ALA C C 13 178.76 . . 1 . . . . . . . . 4151 1 248 . 1 1 24 24 ALA CA C 13 55.26 . . 1 . . . . . . . . 4151 1 249 . 1 1 24 24 ALA CB C 13 18.41 . . 1 . . . . . . . . 4151 1 250 . 1 1 24 24 ALA N N 15 123.83 . . 1 . . . . . . . . 4151 1 251 . 1 1 25 25 ALA H H 1 8.14 . . 1 . . . . . . . . 4151 1 252 . 1 1 25 25 ALA HA H 1 4.07 . . 1 . . . . . . . . 4151 1 253 . 1 1 25 25 ALA HB1 H 1 1.66 . . 1 . . . . . . . . 4151 1 254 . 1 1 25 25 ALA HB2 H 1 1.66 . . 1 . . . . . . . . 4151 1 255 . 1 1 25 25 ALA HB3 H 1 1.66 . . 1 . . . . . . . . 4151 1 256 . 1 1 25 25 ALA C C 13 180.42 . . 1 . . . . . . . . 4151 1 257 . 1 1 25 25 ALA CA C 13 55.65 . . 1 . . . . . . . . 4151 1 258 . 1 1 25 25 ALA CB C 13 18.45 . . 1 . . . . . . . . 4151 1 259 . 1 1 25 25 ALA N N 15 120.48 . . 1 . . . . . . . . 4151 1 260 . 1 1 26 26 ILE H H 1 8.47 . . 1 . . . . . . . . 4151 1 261 . 1 1 26 26 ILE HA H 1 3.78 . . 1 . . . . . . . . 4151 1 262 . 1 1 26 26 ILE HB H 1 2.03 . . 1 . . . . . . . . 4151 1 263 . 1 1 26 26 ILE HG12 H 1 1.93 . . 1 . . . . . . . . 4151 1 264 . 1 1 26 26 ILE HG13 H 1 1.16 . . 1 . . . . . . . . 4151 1 265 . 1 1 26 26 ILE HG21 H 1 0.82 . . 1 . . . . . . . . 4151 1 266 . 1 1 26 26 ILE HG22 H 1 0.82 . . 1 . . . . . . . . 4151 1 267 . 1 1 26 26 ILE HG23 H 1 0.82 . . 1 . . . . . . . . 4151 1 268 . 1 1 26 26 ILE HD11 H 1 0.94 . . 1 . . . . . . . . 4151 1 269 . 1 1 26 26 ILE HD12 H 1 0.94 . . 1 . . . . . . . . 4151 1 270 . 1 1 26 26 ILE HD13 H 1 0.94 . . 1 . . . . . . . . 4151 1 271 . 1 1 26 26 ILE C C 13 178.34 . . 1 . . . . . . . . 4151 1 272 . 1 1 26 26 ILE CA C 13 65.19 . . 1 . . . . . . . . 4151 1 273 . 1 1 26 26 ILE CB C 13 37.9 . . 1 . . . . . . . . 4151 1 274 . 1 1 26 26 ILE CG1 C 13 29.27 . . 1 . . . . . . . . 4151 1 275 . 1 1 26 26 ILE N N 15 118.51 . . 1 . . . . . . . . 4151 1 276 . 1 1 27 27 GLY H H 1 8.4 . . 1 . . . . . . . . 4151 1 277 . 1 1 27 27 GLY HA2 H 1 3.78 . . 2 . . . . . . . . 4151 1 278 . 1 1 27 27 GLY HA3 H 1 3.87 . . 2 . . . . . . . . 4151 1 279 . 1 1 27 27 GLY C C 13 175.33 . . 1 . . . . . . . . 4151 1 280 . 1 1 27 27 GLY CA C 13 48.26 . . 1 . . . . . . . . 4151 1 281 . 1 1 27 27 GLY N N 15 106.8 . . 1 . . . . . . . . 4151 1 282 . 1 1 28 28 ILE H H 1 8.56 . . 1 . . . . . . . . 4151 1 283 . 1 1 28 28 ILE HA H 1 3.79 . . 1 . . . . . . . . 4151 1 284 . 1 1 28 28 ILE HB H 1 2.01 . . 1 . . . . . . . . 4151 1 285 . 1 1 28 28 ILE HG12 H 1 1.83 . . 1 . . . . . . . . 4151 1 286 . 1 1 28 28 ILE HG13 H 1 1.22 . . 1 . . . . . . . . 4151 1 287 . 1 1 28 28 ILE HG21 H 1 0.98 . . 1 . . . . . . . . 4151 1 288 . 1 1 28 28 ILE HG22 H 1 0.98 . . 1 . . . . . . . . 4151 1 289 . 1 1 28 28 ILE HG23 H 1 0.98 . . 1 . . . . . . . . 4151 1 290 . 1 1 28 28 ILE HD11 H 1 0.87 . . 1 . . . . . . . . 4151 1 291 . 1 1 28 28 ILE HD12 H 1 0.87 . . 1 . . . . . . . . 4151 1 292 . 1 1 28 28 ILE HD13 H 1 0.87 . . 1 . . . . . . . . 4151 1 293 . 1 1 28 28 ILE C C 13 178.34 . . 1 . . . . . . . . 4151 1 294 . 1 1 28 28 ILE CA C 13 65.01 . . 1 . . . . . . . . 4151 1 295 . 1 1 28 28 ILE CB C 13 37.72 . . 1 . . . . . . . . 4151 1 296 . 1 1 28 28 ILE CG1 C 13 29.57 . . 1 . . . . . . . . 4151 1 297 . 1 1 28 28 ILE N N 15 121.41 . . 1 . . . . . . . . 4151 1 298 . 1 1 29 29 GLY H H 1 8.19 . . 1 . . . . . . . . 4151 1 299 . 1 1 29 29 GLY HA2 H 1 3.9 . . 2 . . . . . . . . 4151 1 300 . 1 1 29 29 GLY C C 13 176.28 . . 1 . . . . . . . . 4151 1 301 . 1 1 29 29 GLY CA C 13 47.76 . . 1 . . . . . . . . 4151 1 302 . 1 1 29 29 GLY N N 15 108.28 . . 1 . . . . . . . . 4151 1 303 . 1 1 30 30 ILE H H 1 8.52 . . 1 . . . . . . . . 4151 1 304 . 1 1 30 30 ILE HA H 1 3.83 . . 1 . . . . . . . . 4151 1 305 . 1 1 30 30 ILE HB H 1 2.05 . . 1 . . . . . . . . 4151 1 306 . 1 1 30 30 ILE HD11 H 1 0.94 . . 1 . . . . . . . . 4151 1 307 . 1 1 30 30 ILE HD12 H 1 0.94 . . 1 . . . . . . . . 4151 1 308 . 1 1 30 30 ILE HD13 H 1 0.94 . . 1 . . . . . . . . 4151 1 309 . 1 1 30 30 ILE C C 13 178.32 . . 1 . . . . . . . . 4151 1 310 . 1 1 30 30 ILE CA C 13 65.14 . . 1 . . . . . . . . 4151 1 311 . 1 1 30 30 ILE CB C 13 37.94 . . 1 . . . . . . . . 4151 1 312 . 1 1 30 30 ILE N N 15 122.5 . . 1 . . . . . . . . 4151 1 313 . 1 1 31 31 LEU H H 1 8.31 . . 1 . . . . . . . . 4151 1 314 . 1 1 31 31 LEU HA H 1 4.02 . . 1 . . . . . . . . 4151 1 315 . 1 1 31 31 LEU HB2 H 1 1.66 . . 2 . . . . . . . . 4151 1 316 . 1 1 31 31 LEU HB3 H 1 1.88 . . 2 . . . . . . . . 4151 1 317 . 1 1 31 31 LEU HD11 H 1 0.92 . . 2 . . . . . . . . 4151 1 318 . 1 1 31 31 LEU HD12 H 1 0.92 . . 2 . . . . . . . . 4151 1 319 . 1 1 31 31 LEU HD13 H 1 0.92 . . 2 . . . . . . . . 4151 1 320 . 1 1 31 31 LEU C C 13 179.37 . . 1 . . . . . . . . 4151 1 321 . 1 1 31 31 LEU CA C 13 58.41 . . 1 . . . . . . . . 4151 1 322 . 1 1 31 31 LEU CB C 13 41.88 . . 1 . . . . . . . . 4151 1 323 . 1 1 31 31 LEU CD1 C 13 24.15 . . 2 . . . . . . . . 4151 1 324 . 1 1 31 31 LEU CD2 C 13 25.17 . . 2 . . . . . . . . 4151 1 325 . 1 1 31 31 LEU N N 15 120.45 . . 1 . . . . . . . . 4151 1 326 . 1 1 32 32 GLY H H 1 8.93 . . 1 . . . . . . . . 4151 1 327 . 1 1 32 32 GLY HA2 H 1 3.93 . . 2 . . . . . . . . 4151 1 328 . 1 1 32 32 GLY C C 13 175.96 . . 1 . . . . . . . . 4151 1 329 . 1 1 32 32 GLY CA C 13 47.68 . . 1 . . . . . . . . 4151 1 330 . 1 1 32 32 GLY N N 15 106.33 . . 1 . . . . . . . . 4151 1 331 . 1 1 33 33 GLY H H 1 8.34 . . 1 . . . . . . . . 4151 1 332 . 1 1 33 33 GLY HA2 H 1 3.92 . . 2 . . . . . . . . 4151 1 333 . 1 1 33 33 GLY C C 13 175.77 . . 1 . . . . . . . . 4151 1 334 . 1 1 33 33 GLY CA C 13 47.63 . . 1 . . . . . . . . 4151 1 335 . 1 1 33 33 GLY N N 15 108.56 . . 1 . . . . . . . . 4151 1 336 . 1 1 34 34 LYS H H 1 8.26 . . 1 . . . . . . . . 4151 1 337 . 1 1 34 34 LYS HA H 1 4.26 . . 1 . . . . . . . . 4151 1 338 . 1 1 34 34 LYS HB2 H 1 1.89 . . 2 . . . . . . . . 4151 1 339 . 1 1 34 34 LYS HB3 H 1 2.12 . . 2 . . . . . . . . 4151 1 340 . 1 1 34 34 LYS HG2 H 1 1.52 . . 2 . . . . . . . . 4151 1 341 . 1 1 34 34 LYS HG3 H 1 1.65 . . 2 . . . . . . . . 4151 1 342 . 1 1 34 34 LYS HD2 H 1 1.72 . . 2 . . . . . . . . 4151 1 343 . 1 1 34 34 LYS HE2 H 1 2.84 . . 2 . . . . . . . . 4151 1 344 . 1 1 34 34 LYS HE3 H 1 2.93 . . 2 . . . . . . . . 4151 1 345 . 1 1 34 34 LYS C C 13 179.44 . . 1 . . . . . . . . 4151 1 346 . 1 1 34 34 LYS CA C 13 57.61 . . 1 . . . . . . . . 4151 1 347 . 1 1 34 34 LYS CB C 13 31.1 . . 1 . . . . . . . . 4151 1 348 . 1 1 34 34 LYS CD C 13 27.86 . . 1 . . . . . . . . 4151 1 349 . 1 1 34 34 LYS CE C 13 41.95 . . 1 . . . . . . . . 4151 1 350 . 1 1 34 34 LYS N N 15 120.84 . . 1 . . . . . . . . 4151 1 351 . 1 1 35 35 PHE H H 1 8.44 . . 1 . . . . . . . . 4151 1 352 . 1 1 35 35 PHE HA H 1 4.3 . . 1 . . . . . . . . 4151 1 353 . 1 1 35 35 PHE HB2 H 1 3.31 . . 2 . . . . . . . . 4151 1 354 . 1 1 35 35 PHE HB3 H 1 3.37 . . 2 . . . . . . . . 4151 1 355 . 1 1 35 35 PHE HD1 H 1 7.26 . . 1 . . . . . . . . 4151 1 356 . 1 1 35 35 PHE HD2 H 1 7.26 . . 1 . . . . . . . . 4151 1 357 . 1 1 35 35 PHE HE1 H 1 7.26 . . 1 . . . . . . . . 4151 1 358 . 1 1 35 35 PHE HE2 H 1 7.26 . . 1 . . . . . . . . 4151 1 359 . 1 1 35 35 PHE HZ H 1 7.21 . . 1 . . . . . . . . 4151 1 360 . 1 1 35 35 PHE C C 13 175.61 . . 1 . . . . . . . . 4151 1 361 . 1 1 35 35 PHE CA C 13 61.42 . . 1 . . . . . . . . 4151 1 362 . 1 1 35 35 PHE CB C 13 38.93 . . 1 . . . . . . . . 4151 1 363 . 1 1 35 35 PHE CD1 C 13 131.72 . . 1 . . . . . . . . 4151 1 364 . 1 1 35 35 PHE CD2 C 13 131.72 . . 1 . . . . . . . . 4151 1 365 . 1 1 35 35 PHE CE1 C 13 130.83 . . 1 . . . . . . . . 4151 1 366 . 1 1 35 35 PHE CE2 C 13 130.83 . . 1 . . . . . . . . 4151 1 367 . 1 1 35 35 PHE CZ C 13 129.24 . . 1 . . . . . . . . 4151 1 368 . 1 1 35 35 PHE N N 15 121.21 . . 1 . . . . . . . . 4151 1 369 . 1 1 36 36 LEU H H 1 8.18 . . 1 . . . . . . . . 4151 1 370 . 1 1 36 36 LEU HA H 1 4.01 . . 1 . . . . . . . . 4151 1 371 . 1 1 36 36 LEU HB2 H 1 1.65 . . 2 . . . . . . . . 4151 1 372 . 1 1 36 36 LEU HB3 H 1 1.98 . . 2 . . . . . . . . 4151 1 373 . 1 1 36 36 LEU HD11 H 1 0.98 . . 2 . . . . . . . . 4151 1 374 . 1 1 36 36 LEU HD12 H 1 0.98 . . 2 . . . . . . . . 4151 1 375 . 1 1 36 36 LEU HD13 H 1 0.98 . . 2 . . . . . . . . 4151 1 376 . 1 1 36 36 LEU C C 13 178.53 . . 1 . . . . . . . . 4151 1 377 . 1 1 36 36 LEU CA C 13 58.06 . . 1 . . . . . . . . 4151 1 378 . 1 1 36 36 LEU CB C 13 41.88 . . 1 . . . . . . . . 4151 1 379 . 1 1 36 36 LEU CG C 13 27.17 . . 1 . . . . . . . . 4151 1 380 . 1 1 36 36 LEU CD1 C 13 23.76 . . 2 . . . . . . . . 4151 1 381 . 1 1 36 36 LEU CD2 C 13 25.35 . . 2 . . . . . . . . 4151 1 382 . 1 1 36 36 LEU N N 15 119.66 . . 1 . . . . . . . . 4151 1 383 . 1 1 37 37 GLU H H 1 8.25 . . 1 . . . . . . . . 4151 1 384 . 1 1 37 37 GLU HA H 1 3.88 . . 1 . . . . . . . . 4151 1 385 . 1 1 37 37 GLU HB2 H 1 2.14 . . 2 . . . . . . . . 4151 1 386 . 1 1 37 37 GLU HB3 H 1 2.19 . . 2 . . . . . . . . 4151 1 387 . 1 1 37 37 GLU HG2 H 1 2.41 . . 2 . . . . . . . . 4151 1 388 . 1 1 37 37 GLU C C 13 178.63 . . 1 . . . . . . . . 4151 1 389 . 1 1 37 37 GLU CA C 13 59.72 . . 1 . . . . . . . . 4151 1 390 . 1 1 37 37 GLU CB C 13 30.16 . . 1 . . . . . . . . 4151 1 391 . 1 1 37 37 GLU CG C 13 36.52 . . 1 . . . . . . . . 4151 1 392 . 1 1 37 37 GLU N N 15 118.8 . . 1 . . . . . . . . 4151 1 393 . 1 1 38 38 GLY H H 1 8.04 . . 1 . . . . . . . . 4151 1 394 . 1 1 38 38 GLY HA2 H 1 3.76 . . 2 . . . . . . . . 4151 1 395 . 1 1 38 38 GLY C C 13 175.66 . . 1 . . . . . . . . 4151 1 396 . 1 1 38 38 GLY CA C 13 47.04 . . 1 . . . . . . . . 4151 1 397 . 1 1 38 38 GLY N N 15 104.5 . . 1 . . . . . . . . 4151 1 398 . 1 1 39 39 ALA H H 1 8.11 . . 1 . . . . . . . . 4151 1 399 . 1 1 39 39 ALA HA H 1 4.04 . . 1 . . . . . . . . 4151 1 400 . 1 1 39 39 ALA HB1 H 1 1.35 . . 1 . . . . . . . . 4151 1 401 . 1 1 39 39 ALA HB2 H 1 1.35 . . 1 . . . . . . . . 4151 1 402 . 1 1 39 39 ALA HB3 H 1 1.35 . . 1 . . . . . . . . 4151 1 403 . 1 1 39 39 ALA C C 13 178.61 . . 1 . . . . . . . . 4151 1 404 . 1 1 39 39 ALA CA C 13 54.65 . . 1 . . . . . . . . 4151 1 405 . 1 1 39 39 ALA CB C 13 18.32 . . 1 . . . . . . . . 4151 1 406 . 1 1 39 39 ALA N N 15 123.66 . . 1 . . . . . . . . 4151 1 407 . 1 1 40 40 ALA H H 1 7.93 . . 1 . . . . . . . . 4151 1 408 . 1 1 40 40 ALA HA H 1 4.15 . . 1 . . . . . . . . 4151 1 409 . 1 1 40 40 ALA HB1 H 1 1.5 . . 1 . . . . . . . . 4151 1 410 . 1 1 40 40 ALA HB2 H 1 1.5 . . 1 . . . . . . . . 4151 1 411 . 1 1 40 40 ALA HB3 H 1 1.5 . . 1 . . . . . . . . 4151 1 412 . 1 1 40 40 ALA C C 13 177.89 . . 1 . . . . . . . . 4151 1 413 . 1 1 40 40 ALA CA C 13 53.74 . . 1 . . . . . . . . 4151 1 414 . 1 1 40 40 ALA CB C 13 18.75 . . 1 . . . . . . . . 4151 1 415 . 1 1 40 40 ALA N N 15 117.6 . . 1 . . . . . . . . 4151 1 416 . 1 1 41 41 ARG H H 1 7.5 . . 1 . . . . . . . . 4151 1 417 . 1 1 41 41 ARG HA H 1 4.34 . . 1 . . . . . . . . 4151 1 418 . 1 1 41 41 ARG HB2 H 1 1.86 . . 2 . . . . . . . . 4151 1 419 . 1 1 41 41 ARG HB3 H 1 2.02 . . 2 . . . . . . . . 4151 1 420 . 1 1 41 41 ARG HG2 H 1 1.68 . . 2 . . . . . . . . 4151 1 421 . 1 1 41 41 ARG HG3 H 1 1.84 . . 2 . . . . . . . . 4151 1 422 . 1 1 41 41 ARG HD2 H 1 3.19 . . 2 . . . . . . . . 4151 1 423 . 1 1 41 41 ARG C C 13 175.91 . . 1 . . . . . . . . 4151 1 424 . 1 1 41 41 ARG CA C 13 56.19 . . 1 . . . . . . . . 4151 1 425 . 1 1 41 41 ARG CB C 13 30.85 . . 1 . . . . . . . . 4151 1 426 . 1 1 41 41 ARG CG C 13 27.76 . . 1 . . . . . . . . 4151 1 427 . 1 1 41 41 ARG CD C 13 43.56 . . 1 . . . . . . . . 4151 1 428 . 1 1 41 41 ARG N N 15 113.92 . . 1 . . . . . . . . 4151 1 429 . 1 1 42 42 GLN H H 1 7.69 . . 1 . . . . . . . . 4151 1 430 . 1 1 42 42 GLN HA H 1 4.56 . . 1 . . . . . . . . 4151 1 431 . 1 1 42 42 GLN HB2 H 1 2.06 . . 2 . . . . . . . . 4151 1 432 . 1 1 42 42 GLN HB3 H 1 2.23 . . 2 . . . . . . . . 4151 1 433 . 1 1 42 42 GLN HG2 H 1 2.42 . . 2 . . . . . . . . 4151 1 434 . 1 1 42 42 GLN HE21 H 1 6.46 . . 2 . . . . . . . . 4151 1 435 . 1 1 42 42 GLN HE22 H 1 7.75 . . 2 . . . . . . . . 4151 1 436 . 1 1 42 42 GLN CA C 13 54.93 . . 1 . . . . . . . . 4151 1 437 . 1 1 42 42 GLN CB C 13 28.87 . . 1 . . . . . . . . 4151 1 438 . 1 1 42 42 GLN CG C 13 34.11 . . 1 . . . . . . . . 4151 1 439 . 1 1 42 42 GLN N N 15 118.82 . . 1 . . . . . . . . 4151 1 440 . 1 1 42 42 GLN NE2 N 15 109.75 . . 1 . . . . . . . . 4151 1 441 . 1 1 43 43 PRO HA H 1 4.4 . . 1 . . . . . . . . 4151 1 442 . 1 1 43 43 PRO HB2 H 1 2.02 . . 2 . . . . . . . . 4151 1 443 . 1 1 43 43 PRO HB3 H 1 2.3 . . 2 . . . . . . . . 4151 1 444 . 1 1 43 43 PRO HG2 H 1 1.95 . . 2 . . . . . . . . 4151 1 445 . 1 1 43 43 PRO HG3 H 1 2.05 . . 2 . . . . . . . . 4151 1 446 . 1 1 43 43 PRO HD2 H 1 3.72 . . 2 . . . . . . . . 4151 1 447 . 1 1 43 43 PRO HD3 H 1 3.75 . . . . . . . . . . . 4151 1 448 . 1 1 43 43 PRO C C 13 176.67 . . 1 . . . . . . . . 4151 1 449 . 1 1 43 43 PRO CA C 13 64.62 . . 1 . . . . . . . . 4151 1 450 . 1 1 43 43 PRO CB C 13 31.5 . . 1 . . . . . . . . 4151 1 451 . 1 1 43 43 PRO CG C 13 27.72 . . 1 . . . . . . . . 4151 1 452 . 1 1 43 43 PRO CD C 13 50.4 . . 1 . . . . . . . . 4151 1 453 . 1 1 44 44 ASP H H 1 8.45 . . 1 . . . . . . . . 4151 1 454 . 1 1 44 44 ASP HA H 1 4.49 . . 1 . . . . . . . . 4151 1 455 . 1 1 44 44 ASP HB2 H 1 2.71 . . 2 . . . . . . . . 4151 1 456 . 1 1 44 44 ASP C C 13 178.16 . . 1 . . . . . . . . 4151 1 457 . 1 1 44 44 ASP CA C 13 55.05 . . 1 . . . . . . . . 4151 1 458 . 1 1 44 44 ASP CB C 13 40.59 . . 1 . . . . . . . . 4151 1 459 . 1 1 44 44 ASP N N 15 116.86 . . 1 . . . . . . . . 4151 1 460 . 1 1 45 45 LEU H H 1 7.99 . . 1 . . . . . . . . 4151 1 461 . 1 1 45 45 LEU HA H 1 4.26 . . 1 . . . . . . . . 4151 1 462 . 1 1 45 45 LEU HB2 H 1 1.65 . . 2 . . . . . . . . 4151 1 463 . 1 1 45 45 LEU HB3 H 1 1.8 . . 2 . . . . . . . . 4151 1 464 . 1 1 45 45 LEU C C 13 178.11 . . 1 . . . . . . . . 4151 1 465 . 1 1 45 45 LEU CA C 13 56.48 . . 1 . . . . . . . . 4151 1 466 . 1 1 45 45 LEU CB C 13 42.81 . . 1 . . . . . . . . 4151 1 467 . 1 1 45 45 LEU CD2 C 13 24.06 . . 2 . . . . . . . . 4151 1 468 . 1 1 45 45 LEU N N 15 118.72 . . 1 . . . . . . . . 4151 1 469 . 1 1 46 46 ILE H H 1 8.12 . . 1 . . . . . . . . 4151 1 470 . 1 1 46 46 ILE HA H 1 3.92 . . 1 . . . . . . . . 4151 1 471 . 1 1 46 46 ILE HB H 1 2.27 . . 1 . . . . . . . . 4151 1 472 . 1 1 46 46 ILE HG12 H 1 1.27 . . 1 . . . . . . . . 4151 1 473 . 1 1 46 46 ILE HG13 H 1 1.74 . . 1 . . . . . . . . 4151 1 474 . 1 1 46 46 ILE HG21 H 1 0.91 . . 1 . . . . . . . . 4151 1 475 . 1 1 46 46 ILE HG22 H 1 0.91 . . 1 . . . . . . . . 4151 1 476 . 1 1 46 46 ILE HG23 H 1 0.91 . . 1 . . . . . . . . 4151 1 477 . 1 1 46 46 ILE HD11 H 1 0.94 . . 1 . . . . . . . . 4151 1 478 . 1 1 46 46 ILE HD12 H 1 0.94 . . 1 . . . . . . . . 4151 1 479 . 1 1 46 46 ILE HD13 H 1 0.94 . . 1 . . . . . . . . 4151 1 480 . 1 1 46 46 ILE CA C 13 66.06 . . 1 . . . . . . . . 4151 1 481 . 1 1 46 46 ILE CB C 13 34.98 . . 1 . . . . . . . . 4151 1 482 . 1 1 46 46 ILE CG1 C 13 29.6 . . 1 . . . . . . . . 4151 1 483 . 1 1 46 46 ILE N N 15 118.18 . . 1 . . . . . . . . 4151 1 484 . 1 1 47 47 PRO HA H 1 4.24 . . 1 . . . . . . . . 4151 1 485 . 1 1 47 47 PRO HB2 H 1 1.96 . . 2 . . . . . . . . 4151 1 486 . 1 1 47 47 PRO HB3 H 1 2.19 . . 2 . . . . . . . . 4151 1 487 . 1 1 47 47 PRO HD2 H 1 3.66 . . 2 . . . . . . . . 4151 1 488 . 1 1 47 47 PRO HD3 H 1 3.76 . . 2 . . . . . . . . 4151 1 489 . 1 1 47 47 PRO C C 13 178.95 . . 1 . . . . . . . . 4151 1 490 . 1 1 47 47 PRO CA C 13 66.1 . . 1 . . . . . . . . 4151 1 491 . 1 1 47 47 PRO CB C 13 31.33 . . 1 . . . . . . . . 4151 1 492 . 1 1 47 47 PRO CG C 13 28.48 . . 1 . . . . . . . . 4151 1 493 . 1 1 47 47 PRO CD C 13 49.7 . . 1 . . . . . . . . 4151 1 494 . 1 1 48 48 LEU H H 1 7.43 . . 1 . . . . . . . . 4151 1 495 . 1 1 48 48 LEU HA H 1 4.14 . . 1 . . . . . . . . 4151 1 496 . 1 1 48 48 LEU HB2 H 1 1.78 . . 2 . . . . . . . . 4151 1 497 . 1 1 48 48 LEU HB3 H 1 1.86 . . 2 . . . . . . . . 4151 1 498 . 1 1 48 48 LEU HG H 1 1.81 . . 1 . . . . . . . . 4151 1 499 . 1 1 48 48 LEU HD11 H 1 0.93 . . 2 . . . . . . . . 4151 1 500 . 1 1 48 48 LEU HD12 H 1 0.93 . . 2 . . . . . . . . 4151 1 501 . 1 1 48 48 LEU HD13 H 1 0.93 . . 2 . . . . . . . . 4151 1 502 . 1 1 48 48 LEU HD21 H 1 0.97 . . 2 . . . . . . . . 4151 1 503 . 1 1 48 48 LEU HD22 H 1 0.97 . . 2 . . . . . . . . 4151 1 504 . 1 1 48 48 LEU HD23 H 1 0.97 . . 2 . . . . . . . . 4151 1 505 . 1 1 48 48 LEU C C 13 178.51 . . 1 . . . . . . . . 4151 1 506 . 1 1 48 48 LEU CA C 13 58.39 . . 1 . . . . . . . . 4151 1 507 . 1 1 48 48 LEU CB C 13 41.89 . . 1 . . . . . . . . 4151 1 508 . 1 1 48 48 LEU CG C 13 27.53 . . 1 . . . . . . . . 4151 1 509 . 1 1 48 48 LEU CD1 C 13 24.81 . . 2 . . . . . . . . 4151 1 510 . 1 1 48 48 LEU N N 15 118.44 . . 1 . . . . . . . . 4151 1 511 . 1 1 49 49 LEU H H 1 8.28 . . 1 . . . . . . . . 4151 1 512 . 1 1 49 49 LEU HA H 1 4.1 . . 1 . . . . . . . . 4151 1 513 . 1 1 49 49 LEU HB2 H 1 1.89 . . 2 . . . . . . . . 4151 1 514 . 1 1 49 49 LEU HB3 H 1 1.61 . . 2 . . . . . . . . 4151 1 515 . 1 1 49 49 LEU HG H 1 1.79 . . 2 . . . . . . . . 4151 1 516 . 1 1 49 49 LEU HD11 H 1 0.92 . . 2 . . . . . . . . 4151 1 517 . 1 1 49 49 LEU HD12 H 1 0.92 . . 2 . . . . . . . . 4151 1 518 . 1 1 49 49 LEU HD13 H 1 0.92 . . 2 . . . . . . . . 4151 1 519 . 1 1 49 49 LEU C C 13 179.13 . . 1 . . . . . . . . 4151 1 520 . 1 1 49 49 LEU CA C 13 58.15 . . 1 . . . . . . . . 4151 1 521 . 1 1 49 49 LEU CB C 13 41.96 . . 1 . . . . . . . . 4151 1 522 . 1 1 49 49 LEU CG C 13 27.19 . . 1 . . . . . . . . 4151 1 523 . 1 1 49 49 LEU CD1 C 13 23.79 . . 2 . . . . . . . . 4151 1 524 . 1 1 49 49 LEU CD2 C 13 25.47 . . 2 . . . . . . . . 4151 1 525 . 1 1 49 49 LEU N N 15 120.55 . . 1 . . . . . . . . 4151 1 526 . 1 1 50 50 ARG H H 1 8.58 . . 1 . . . . . . . . 4151 1 527 . 1 1 50 50 ARG HA H 1 3.97 . . 1 . . . . . . . . 4151 1 528 . 1 1 50 50 ARG HB2 H 1 1.91 . . 2 . . . . . . . . 4151 1 529 . 1 1 50 50 ARG HB3 H 1 1.92 . . 2 . . . . . . . . 4151 1 530 . 1 1 50 50 ARG HG2 H 1 1.62 . . 2 . . . . . . . . 4151 1 531 . 1 1 50 50 ARG HG3 H 1 1.81 . . 2 . . . . . . . . 4151 1 532 . 1 1 50 50 ARG HD2 H 1 3.16 . . 2 . . . . . . . . 4151 1 533 . 1 1 50 50 ARG C C 13 177.88 . . 1 . . . . . . . . 4151 1 534 . 1 1 50 50 ARG CA C 13 59.95 . . 1 . . . . . . . . 4151 1 535 . 1 1 50 50 ARG CB C 13 30.5 . . 1 . . . . . . . . 4151 1 536 . 1 1 50 50 ARG CG C 13 28.11 . . 1 . . . . . . . . 4151 1 537 . 1 1 50 50 ARG CD C 13 43.69 . . 1 . . . . . . . . 4151 1 538 . 1 1 50 50 ARG N N 15 117.53 . . 1 . . . . . . . . 4151 1 539 . 1 1 51 51 THR H H 1 7.85 . . 1 . . . . . . . . 4151 1 540 . 1 1 51 51 THR HA H 1 4.00 . . 1 . . . . . . . . 4151 1 541 . 1 1 51 51 THR HB H 1 4.4 . . 1 . . . . . . . . 4151 1 542 . 1 1 51 51 THR HG21 H 1 1.36 . . 1 . . . . . . . . 4151 1 543 . 1 1 51 51 THR HG22 H 1 1.36 . . 1 . . . . . . . . 4151 1 544 . 1 1 51 51 THR HG23 H 1 1.36 . . 1 . . . . . . . . 4151 1 545 . 1 1 51 51 THR C C 13 177.75 . . 1 . . . . . . . . 4151 1 546 . 1 1 51 51 THR CA C 13 67.7 . . 1 . . . . . . . . 4151 1 547 . 1 1 51 51 THR CB C 13 68.76 . . 1 . . . . . . . . 4151 1 548 . 1 1 51 51 THR CG2 C 13 21.78 . . 1 . . . . . . . . 4151 1 549 . 1 1 51 51 THR N N 15 114.52 . . 1 . . . . . . . . 4151 1 550 . 1 1 52 52 GLN H H 1 8.19 . . 1 . . . . . . . . 4151 1 551 . 1 1 52 52 GLN HA H 1 4.01 . . 1 . . . . . . . . 4151 1 552 . 1 1 52 52 GLN HB2 H 1 2.00 . . 2 . . . . . . . . 4151 1 553 . 1 1 52 52 GLN HB3 H 1 2.23 . . 2 . . . . . . . . 4151 1 554 . 1 1 52 52 GLN HG2 H 1 2.36 . . 2 . . . . . . . . 4151 1 555 . 1 1 52 52 GLN HG3 H 1 2.5 . . 2 . . . . . . . . 4151 1 556 . 1 1 52 52 GLN HE21 H 1 6.25 . . 2 . . . . . . . . 4151 1 557 . 1 1 52 52 GLN HE22 H 1 6.75 . . 2 . . . . . . . . 4151 1 558 . 1 1 52 52 GLN C C 13 177.3 . . 1 . . . . . . . . 4151 1 559 . 1 1 52 52 GLN CA C 13 59.72 . . 1 . . . . . . . . 4151 1 560 . 1 1 52 52 GLN CB C 13 28.84 . . 1 . . . . . . . . 4151 1 561 . 1 1 52 52 GLN CG C 13 34.65 . . 1 . . . . . . . . 4151 1 562 . 1 1 52 52 GLN N N 15 119.64 . . 1 . . . . . . . . 4151 1 563 . 1 1 52 52 GLN NE2 N 15 105.52 . . 1 . . . . . . . . 4151 1 564 . 1 1 53 53 PHE H H 1 8.29 . . 1 . . . . . . . . 4151 1 565 . 1 1 53 53 PHE HA H 1 4.16 . . 1 . . . . . . . . 4151 1 566 . 1 1 53 53 PHE HB2 H 1 3.2 . . 2 . . . . . . . . 4151 1 567 . 1 1 53 53 PHE HD1 H 1 7.04 . . 1 . . . . . . . . 4151 1 568 . 1 1 53 53 PHE HD2 H 1 7.04 . . 1 . . . . . . . . 4151 1 569 . 1 1 53 53 PHE HE1 H 1 7.24 . . 1 . . . . . . . . 4151 1 570 . 1 1 53 53 PHE HE2 H 1 7.24 . . 1 . . . . . . . . 4151 1 571 . 1 1 53 53 PHE HZ H 1 7.21 . . 1 . . . . . . . . 4151 1 572 . 1 1 53 53 PHE C C 13 176.61 . . 1 . . . . . . . . 4151 1 573 . 1 1 53 53 PHE CA C 13 61.6 . . 1 . . . . . . . . 4151 1 574 . 1 1 53 53 PHE CB C 13 39.04 . . 1 . . . . . . . . 4151 1 575 . 1 1 53 53 PHE CD1 C 13 131.52 . . 1 . . . . . . . . 4151 1 576 . 1 1 53 53 PHE CD2 C 13 131.52 . . 1 . . . . . . . . 4151 1 577 . 1 1 53 53 PHE CE1 C 13 131.01 . . 1 . . . . . . . . 4151 1 578 . 1 1 53 53 PHE CE2 C 13 131.01 . . 1 . . . . . . . . 4151 1 579 . 1 1 53 53 PHE CZ C 13 129.37 . . 1 . . . . . . . . 4151 1 580 . 1 1 53 53 PHE N N 15 118.27 . . 1 . . . . . . . . 4151 1 581 . 1 1 54 54 PHE H H 1 8.07 . . 1 . . . . . . . . 4151 1 582 . 1 1 54 54 PHE HA H 1 4.19 . . 1 . . . . . . . . 4151 1 583 . 1 1 54 54 PHE HB2 H 1 3.31 . . 2 . . . . . . . . 4151 1 584 . 1 1 54 54 PHE HD1 H 1 7.37 . . 1 . . . . . . . . 4151 1 585 . 1 1 54 54 PHE HD2 H 1 7.37 . . 1 . . . . . . . . 4151 1 586 . 1 1 54 54 PHE HE1 H 1 7.31 . . 1 . . . . . . . . 4151 1 587 . 1 1 54 54 PHE HE2 H 1 7.31 . . 1 . . . . . . . . 4151 1 588 . 1 1 54 54 PHE HZ H 1 7.26 . . 1 . . . . . . . . 4151 1 589 . 1 1 54 54 PHE C C 13 177.94 . . 1 . . . . . . . . 4151 1 590 . 1 1 54 54 PHE CA C 13 61.52 . . 1 . . . . . . . . 4151 1 591 . 1 1 54 54 PHE CB C 13 39.1 . . 1 . . . . . . . . 4151 1 592 . 1 1 54 54 PHE CD1 C 13 131.7 . . . . . . . . . . . 4151 1 593 . 1 1 54 54 PHE CD2 C 13 131.7 . . . . . . . . . . . 4151 1 594 . 1 1 54 54 PHE CE1 C 13 130.96 . . . . . . . . . . . 4151 1 595 . 1 1 54 54 PHE CE2 C 13 130.96 . . . . . . . . . . . 4151 1 596 . 1 1 54 54 PHE CZ C 13 129.39 . . . . . . . . . . . 4151 1 597 . 1 1 54 54 PHE N N 15 117.63 . . 1 . . . . . . . . 4151 1 598 . 1 1 55 55 ILE H H 1 8.12 . . 1 . . . . . . . . 4151 1 599 . 1 1 55 55 ILE HA H 1 3.74 . . 1 . . . . . . . . 4151 1 600 . 1 1 55 55 ILE HB H 1 2.04 . . 1 . . . . . . . . 4151 1 601 . 1 1 55 55 ILE HG13 H 1 1.2 . . 1 . . . . . . . . 4151 1 602 . 1 1 55 55 ILE HG21 H 1 0.92 . . 1 . . . . . . . . 4151 1 603 . 1 1 55 55 ILE HG22 H 1 0.92 . . 1 . . . . . . . . 4151 1 604 . 1 1 55 55 ILE HG23 H 1 0.92 . . 1 . . . . . . . . 4151 1 605 . 1 1 55 55 ILE C C 13 177.83 . . 1 . . . . . . . . 4151 1 606 . 1 1 55 55 ILE CA C 13 65.17 . . 1 . . . . . . . . 4151 1 607 . 1 1 55 55 ILE CB C 13 35.12 . . 1 . . . . . . . . 4151 1 608 . 1 1 55 55 ILE N N 15 119.27 . . 1 . . . . . . . . 4151 1 609 . 1 1 56 56 VAL H H 1 8.12 . . 1 . . . . . . . . 4151 1 610 . 1 1 56 56 VAL HA H 1 3.58 . . 1 . . . . . . . . 4151 1 611 . 1 1 56 56 VAL HB H 1 2.09 . . 2 . . . . . . . . 4151 1 612 . 1 1 56 56 VAL HG11 H 1 0.94 . . 2 . . . . . . . . 4151 1 613 . 1 1 56 56 VAL HG12 H 1 0.94 . . 2 . . . . . . . . 4151 1 614 . 1 1 56 56 VAL HG13 H 1 0.94 . . 2 . . . . . . . . 4151 1 615 . 1 1 56 56 VAL HG21 H 1 1.08 . . 2 . . . . . . . . 4151 1 616 . 1 1 56 56 VAL HG22 H 1 1.08 . . 2 . . . . . . . . 4151 1 617 . 1 1 56 56 VAL HG23 H 1 1.08 . . 2 . . . . . . . . 4151 1 618 . 1 1 56 56 VAL C C 13 177.58 . . 1 . . . . . . . . 4151 1 619 . 1 1 56 56 VAL CA C 13 67.17 . . 1 . . . . . . . . 4151 1 620 . 1 1 56 56 VAL CB C 13 31.53 . . 1 . . . . . . . . 4151 1 621 . 1 1 56 56 VAL CG1 C 13 21.76 . . 2 . . . . . . . . 4151 1 622 . 1 1 56 56 VAL CG2 C 13 23.41 . . 2 . . . . . . . . 4151 1 623 . 1 1 56 56 VAL N N 15 118.57 . . 1 . . . . . . . . 4151 1 624 . 1 1 57 57 MET H H 1 8.16 . . 1 . . . . . . . . 4151 1 625 . 1 1 57 57 MET HA H 1 4.12 . . 1 . . . . . . . . 4151 1 626 . 1 1 57 57 MET HB2 H 1 1.92 . . 2 . . . . . . . . 4151 1 627 . 1 1 57 57 MET HB3 H 1 2.17 . . 2 . . . . . . . . 4151 1 628 . 1 1 57 57 MET HG2 H 1 2.27 . . 2 . . . . . . . . 4151 1 629 . 1 1 57 57 MET C C 13 178.34 . . 1 . . . . . . . . 4151 1 630 . 1 1 57 57 MET CA C 13 57.86 . . 1 . . . . . . . . 4151 1 631 . 1 1 57 57 MET CB C 13 31.93 . . 1 . . . . . . . . 4151 1 632 . 1 1 57 57 MET CG C 13 32.64 . . 1 . . . . . . . . 4151 1 633 . 1 1 57 57 MET N N 15 116.72 . . 1 . . . . . . . . 4151 1 634 . 1 1 58 58 GLY H H 1 8.01 . . 1 . . . . . . . . 4151 1 635 . 1 1 58 58 GLY HA2 H 1 3.76 . . 2 . . . . . . . . 4151 1 636 . 1 1 58 58 GLY HA3 H 1 3.88 . . 2 . . . . . . . . 4151 1 637 . 1 1 58 58 GLY C C 13 175.37 . . 1 . . . . . . . . 4151 1 638 . 1 1 58 58 GLY CA C 13 47.09 . . 1 . . . . . . . . 4151 1 639 . 1 1 58 58 GLY N N 15 106.01 . . 1 . . . . . . . . 4151 1 640 . 1 1 59 59 LEU H H 1 7.97 . . 1 . . . . . . . . 4151 1 641 . 1 1 59 59 LEU HA H 1 4.17 . . 1 . . . . . . . . 4151 1 642 . 1 1 59 59 LEU HB2 H 1 1.59 . . 2 . . . . . . . . 4151 1 643 . 1 1 59 59 LEU HB3 H 1 2.00 . . 2 . . . . . . . . 4151 1 644 . 1 1 59 59 LEU HG H 1 1.9 . . 2 . . . . . . . . 4151 1 645 . 1 1 59 59 LEU HD11 H 1 0.9 . . 2 . . . . . . . . 4151 1 646 . 1 1 59 59 LEU HD12 H 1 0.9 . . 2 . . . . . . . . 4151 1 647 . 1 1 59 59 LEU HD13 H 1 0.9 . . 2 . . . . . . . . 4151 1 648 . 1 1 59 59 LEU C C 13 178.65 . . 1 . . . . . . . . 4151 1 649 . 1 1 59 59 LEU CA C 13 57.82 . . 1 . . . . . . . . 4151 1 650 . 1 1 59 59 LEU CB C 13 42.15 . . 1 . . . . . . . . 4151 1 651 . 1 1 59 59 LEU CG C 13 26.89 . . 1 . . . . . . . . 4151 1 652 . 1 1 59 59 LEU CD1 C 13 25.77 . . 2 . . . . . . . . 4151 1 653 . 1 1 59 59 LEU N N 15 121.34 . . 1 . . . . . . . . 4151 1 654 . 1 1 60 60 VAL H H 1 8.03 . . 1 . . . . . . . . 4151 1 655 . 1 1 60 60 VAL HA H 1 3.72 . . 1 . . . . . . . . 4151 1 656 . 1 1 60 60 VAL HB H 1 2.23 . . . . . . . . . . . 4151 1 657 . 1 1 60 60 VAL HG11 H 1 1.01 . . 2 . . . . . . . . 4151 1 658 . 1 1 60 60 VAL HG12 H 1 1.01 . . 2 . . . . . . . . 4151 1 659 . 1 1 60 60 VAL HG13 H 1 1.01 . . 2 . . . . . . . . 4151 1 660 . 1 1 60 60 VAL HG21 H 1 1.08 . . 2 . . . . . . . . 4151 1 661 . 1 1 60 60 VAL HG22 H 1 1.08 . . 2 . . . . . . . . 4151 1 662 . 1 1 60 60 VAL HG23 H 1 1.08 . . 2 . . . . . . . . 4151 1 663 . 1 1 60 60 VAL C C 13 177.65 . . 1 . . . . . . . . 4151 1 664 . 1 1 60 60 VAL CA C 13 66.00 . . 1 . . . . . . . . 4151 1 665 . 1 1 60 60 VAL CB C 13 31.87 . . 1 . . . . . . . . 4151 1 666 . 1 1 60 60 VAL CG1 C 13 21.76 . . 2 . . . . . . . . 4151 1 667 . 1 1 60 60 VAL CG2 C 13 22.78 . . 2 . . . . . . . . 4151 1 668 . 1 1 60 60 VAL N N 15 117.1 . . 1 . . . . . . . . 4151 1 669 . 1 1 61 61 ASP H H 1 7.92 . . 1 . . . . . . . . 4151 1 670 . 1 1 61 61 ASP HA H 1 4.58 . . 1 . . . . . . . . 4151 1 671 . 1 1 61 61 ASP HB2 H 1 2.74 . . 2 . . . . . . . . 4151 1 672 . 1 1 61 61 ASP HB3 H 1 2.85 . . 2 . . . . . . . . 4151 1 673 . 1 1 61 61 ASP C C 13 176.5 . . 1 . . . . . . . . 4151 1 674 . 1 1 61 61 ASP CA C 13 55.74 . . 1 . . . . . . . . 4151 1 675 . 1 1 61 61 ASP CB C 13 40.39 . . 1 . . . . . . . . 4151 1 676 . 1 1 61 61 ASP N N 15 117.31 . . 1 . . . . . . . . 4151 1 677 . 1 1 62 62 ALA H H 1 7.8 . . 1 . . . . . . . . 4151 1 678 . 1 1 62 62 ALA HA H 1 4.3 . . 1 . . . . . . . . 4151 1 679 . 1 1 62 62 ALA HB1 H 1 1.56 . . 1 . . . . . . . . 4151 1 680 . 1 1 62 62 ALA HB2 H 1 1.56 . . 1 . . . . . . . . 4151 1 681 . 1 1 62 62 ALA HB3 H 1 1.56 . . 1 . . . . . . . . 4151 1 682 . 1 1 62 62 ALA C C 13 178.71 . . 1 . . . . . . . . 4151 1 683 . 1 1 62 62 ALA CA C 13 53.78 . . 1 . . . . . . . . 4151 1 684 . 1 1 62 62 ALA CB C 13 19.52 . . 1 . . . . . . . . 4151 1 685 . 1 1 62 62 ALA N N 15 119.08 . . 1 . . . . . . . . 4151 1 686 . 1 1 63 63 ILE H H 1 7.92 . . 1 . . . . . . . . 4151 1 687 . 1 1 63 63 ILE HA H 1 3.86 . . 1 . . . . . . . . 4151 1 688 . 1 1 63 63 ILE HB H 1 2.23 . . 1 . . . . . . . . 4151 1 689 . 1 1 63 63 ILE HG12 H 1 1.26 . . 1 . . . . . . . . 4151 1 690 . 1 1 63 63 ILE HG13 H 1 1.98 . . 1 . . . . . . . . 4151 1 691 . 1 1 63 63 ILE HG21 H 1 1.02 . . 1 . . . . . . . . 4151 1 692 . 1 1 63 63 ILE HG22 H 1 1.02 . . 1 . . . . . . . . 4151 1 693 . 1 1 63 63 ILE HG23 H 1 1.02 . . 1 . . . . . . . . 4151 1 694 . 1 1 63 63 ILE HD11 H 1 0.96 . . 1 . . . . . . . . 4151 1 695 . 1 1 63 63 ILE HD12 H 1 0.96 . . 1 . . . . . . . . 4151 1 696 . 1 1 63 63 ILE HD13 H 1 0.96 . . 1 . . . . . . . . 4151 1 697 . 1 1 63 63 ILE CA C 13 67.06 . . 1 . . . . . . . . 4151 1 698 . 1 1 63 63 ILE CB C 13 35.54 . . 1 . . . . . . . . 4151 1 699 . 1 1 63 63 ILE CG1 C 13 30.08 . . 1 . . . . . . . . 4151 1 700 . 1 1 63 63 ILE N N 15 117.35 . . 1 . . . . . . . . 4151 1 701 . 1 1 64 64 PRO HA H 1 4.27 . . 1 . . . . . . . . 4151 1 702 . 1 1 64 64 PRO HB2 H 1 1.93 . . 2 . . . . . . . . 4151 1 703 . 1 1 64 64 PRO HB3 H 1 2.32 . . 2 . . . . . . . . 4151 1 704 . 1 1 64 64 PRO HG2 H 1 2.26 . . 2 . . . . . . . . 4151 1 705 . 1 1 64 64 PRO HD2 H 1 3.68 . . 2 . . . . . . . . 4151 1 706 . 1 1 64 64 PRO HD3 H 1 3.85 . . 2 . . . . . . . . 4151 1 707 . 1 1 64 64 PRO C C 13 177.6 . . 1 . . . . . . . . 4151 1 708 . 1 1 64 64 PRO CA C 13 66.13 . . 1 . . . . . . . . 4151 1 709 . 1 1 64 64 PRO CB C 13 31.4 . . 1 . . . . . . . . 4151 1 710 . 1 1 64 64 PRO CG C 13 28.7 . . 1 . . . . . . . . 4151 1 711 . 1 1 64 64 PRO CD C 13 49.88 . . 1 . . . . . . . . 4151 1 712 . 1 1 65 65 MET H H 1 7.2 . . 1 . . . . . . . . 4151 1 713 . 1 1 65 65 MET HA H 1 4.18 . . 1 . . . . . . . . 4151 1 714 . 1 1 65 65 MET HB2 H 1 2.18 . . 2 . . . . . . . . 4151 1 715 . 1 1 65 65 MET HB3 H 1 2.3 . . 2 . . . . . . . . 4151 1 716 . 1 1 65 65 MET HG2 H 1 2.59 . . 2 . . . . . . . . 4151 1 717 . 1 1 65 65 MET HG3 H 1 2.74 . . 2 . . . . . . . . 4151 1 718 . 1 1 65 65 MET C C 13 178.5 . . 1 . . . . . . . . 4151 1 719 . 1 1 65 65 MET CA C 13 58.78 . . 1 . . . . . . . . 4151 1 720 . 1 1 65 65 MET CB C 13 32.74 . . 1 . . . . . . . . 4151 1 721 . 1 1 65 65 MET CG C 13 32.94 . . 1 . . . . . . . . 4151 1 722 . 1 1 65 65 MET N N 15 113.38 . . 1 . . . . . . . . 4151 1 723 . 1 1 66 66 ILE H H 1 8.18 . . 1 . . . . . . . . 4151 1 724 . 1 1 66 66 ILE HA H 1 3.75 . . 1 . . . . . . . . 4151 1 725 . 1 1 66 66 ILE HB H 1 2.03 . . 1 . . . . . . . . 4151 1 726 . 1 1 66 66 ILE HG12 H 1 1.79 . . 1 . . . . . . . . 4151 1 727 . 1 1 66 66 ILE HG13 H 1 1.15 . . 1 . . . . . . . . 4151 1 728 . 1 1 66 66 ILE HG21 H 1 0.95 . . 1 . . . . . . . . 4151 1 729 . 1 1 66 66 ILE HG22 H 1 0.95 . . 1 . . . . . . . . 4151 1 730 . 1 1 66 66 ILE HG23 H 1 0.95 . . 1 . . . . . . . . 4151 1 731 . 1 1 66 66 ILE HD11 H 1 0.86 . . 1 . . . . . . . . 4151 1 732 . 1 1 66 66 ILE HD12 H 1 0.86 . . 1 . . . . . . . . 4151 1 733 . 1 1 66 66 ILE HD13 H 1 0.86 . . 1 . . . . . . . . 4151 1 734 . 1 1 66 66 ILE C C 13 177.45 . . 1 . . . . . . . . 4151 1 735 . 1 1 66 66 ILE CA C 13 64.74 . . 1 . . . . . . . . 4151 1 736 . 1 1 66 66 ILE CB C 13 37.82 . . 1 . . . . . . . . 4151 1 737 . 1 1 66 66 ILE CG1 C 13 29.13 . . 1 . . . . . . . . 4151 1 738 . 1 1 66 66 ILE CG2 C 13 13.32 . . 1 . . . . . . . . 4151 1 739 . 1 1 66 66 ILE CD1 C 13 17.7 . . 1 . . . . . . . . 4151 1 740 . 1 1 66 66 ILE N N 15 120.57 . . 1 . . . . . . . . 4151 1 741 . 1 1 67 67 ALA H H 1 8.32 . . 1 . . . . . . . . 4151 1 742 . 1 1 67 67 ALA HA H 1 4.04 . . 1 . . . . . . . . 4151 1 743 . 1 1 67 67 ALA HB1 H 1 1.56 . . 1 . . . . . . . . 4151 1 744 . 1 1 67 67 ALA HB2 H 1 1.56 . . 1 . . . . . . . . 4151 1 745 . 1 1 67 67 ALA HB3 H 1 1.56 . . 1 . . . . . . . . 4151 1 746 . 1 1 67 67 ALA C C 13 180.05 . . 1 . . . . . . . . 4151 1 747 . 1 1 67 67 ALA CA C 13 56.02 . . 1 . . . . . . . . 4151 1 748 . 1 1 67 67 ALA CB C 13 18.68 . . 1 . . . . . . . . 4151 1 749 . 1 1 67 67 ALA N N 15 120.95 . . 1 . . . . . . . . 4151 1 750 . 1 1 68 68 VAL H H 1 8.03 . . 1 . . . . . . . . 4151 1 751 . 1 1 68 68 VAL HA H 1 3.75 . . 1 . . . . . . . . 4151 1 752 . 1 1 68 68 VAL HB H 1 2.23 . . 1 . . . . . . . . 4151 1 753 . 1 1 68 68 VAL HG11 H 1 1.01 . . 2 . . . . . . . . 4151 1 754 . 1 1 68 68 VAL HG12 H 1 1.01 . . 2 . . . . . . . . 4151 1 755 . 1 1 68 68 VAL HG13 H 1 1.01 . . 2 . . . . . . . . 4151 1 756 . 1 1 68 68 VAL HG21 H 1 1.17 . . 2 . . . . . . . . 4151 1 757 . 1 1 68 68 VAL HG22 H 1 1.17 . . 2 . . . . . . . . 4151 1 758 . 1 1 68 68 VAL HG23 H 1 1.17 . . 2 . . . . . . . . 4151 1 759 . 1 1 68 68 VAL C C 13 177.95 . . 1 . . . . . . . . 4151 1 760 . 1 1 68 68 VAL CA C 13 66.6 . . 1 . . . . . . . . 4151 1 761 . 1 1 68 68 VAL CB C 13 31.85 . . 1 . . . . . . . . 4151 1 762 . 1 1 68 68 VAL CG1 C 13 21.71 . . 2 . . . . . . . . 4151 1 763 . 1 1 68 68 VAL CG2 C 13 23.42 . . 2 . . . . . . . . 4151 1 764 . 1 1 68 68 VAL N N 15 117.18 . . 1 . . . . . . . . 4151 1 765 . 1 1 69 69 GLY H H 1 8.22 . . 1 . . . . . . . . 4151 1 766 . 1 1 69 69 GLY HA2 H 1 3.85 . . 2 . . . . . . . . 4151 1 767 . 1 1 69 69 GLY C C 13 175.62 . . 1 . . . . . . . . 4151 1 768 . 1 1 69 69 GLY CA C 13 48.14 . . 1 . . . . . . . . 4151 1 769 . 1 1 69 69 GLY N N 15 107.04 . . 1 . . . . . . . . 4151 1 770 . 1 1 70 70 LEU H H 1 8.69 . . 1 . . . . . . . . 4151 1 771 . 1 1 70 70 LEU HA H 1 4.25 . . 1 . . . . . . . . 4151 1 772 . 1 1 70 70 LEU HB2 H 1 1.69 . . 2 . . . . . . . . 4151 1 773 . 1 1 70 70 LEU HB3 H 1 1.85 . . 2 . . . . . . . . 4151 1 774 . 1 1 70 70 LEU HD11 H 1 0.92 . . 2 . . . . . . . . 4151 1 775 . 1 1 70 70 LEU HD12 H 1 0.92 . . 2 . . . . . . . . 4151 1 776 . 1 1 70 70 LEU HD13 H 1 0.92 . . 2 . . . . . . . . 4151 1 777 . 1 1 70 70 LEU HD21 H 1 0.93 . . 2 . . . . . . . . 4151 1 778 . 1 1 70 70 LEU HD22 H 1 0.93 . . 2 . . . . . . . . 4151 1 779 . 1 1 70 70 LEU HD23 H 1 0.93 . . 2 . . . . . . . . 4151 1 780 . 1 1 70 70 LEU C C 13 178.81 . . 1 . . . . . . . . 4151 1 781 . 1 1 70 70 LEU CA C 13 57.92 . . 1 . . . . . . . . 4151 1 782 . 1 1 70 70 LEU CB C 13 42.02 . . 1 . . . . . . . . 4151 1 783 . 1 1 70 70 LEU CG C 13 27.29 . . 1 . . . . . . . . 4151 1 784 . 1 1 70 70 LEU CD1 C 13 24.32 . . 2 . . . . . . . . 4151 1 785 . 1 1 70 70 LEU CD2 C 13 25.24 . . 2 . . . . . . . . 4151 1 786 . 1 1 70 70 LEU N N 15 121.61 . . 1 . . . . . . . . 4151 1 787 . 1 1 71 71 GLY H H 1 8.24 . . 1 . . . . . . . . 4151 1 788 . 1 1 71 71 GLY HA2 H 1 3.84 . . 2 . . . . . . . . 4151 1 789 . 1 1 71 71 GLY C C 13 175.51 . . 1 . . . . . . . . 4151 1 790 . 1 1 71 71 GLY CA C 13 47.95 . . 1 . . . . . . . . 4151 1 791 . 1 1 71 71 GLY N N 15 106.13 . . 1 . . . . . . . . 4151 1 792 . 1 1 72 72 LEU H H 1 8.41 . . 1 . . . . . . . . 4151 1 793 . 1 1 72 72 LEU HA H 1 4.12 . . 1 . . . . . . . . 4151 1 794 . 1 1 72 72 LEU HB2 H 1 1.53 . . 2 . . . . . . . . 4151 1 795 . 1 1 72 72 LEU HB3 H 1 1.93 . . 2 . . . . . . . . 4151 1 796 . 1 1 72 72 LEU HG H 1 2.05 . . 2 . . . . . . . . 4151 1 797 . 1 1 72 72 LEU HD11 H 1 0.94 . . 2 . . . . . . . . 4151 1 798 . 1 1 72 72 LEU HD12 H 1 0.94 . . 2 . . . . . . . . 4151 1 799 . 1 1 72 72 LEU HD13 H 1 0.94 . . 2 . . . . . . . . 4151 1 800 . 1 1 72 72 LEU C C 13 178.28 . . 1 . . . . . . . . 4151 1 801 . 1 1 72 72 LEU CA C 13 58.09 . . 1 . . . . . . . . 4151 1 802 . 1 1 72 72 LEU CB C 13 42.11 . . 1 . . . . . . . . 4151 1 803 . 1 1 72 72 LEU CG C 13 27.07 . . 1 . . . . . . . . 4151 1 804 . 1 1 72 72 LEU CD1 C 13 23.75 . . 2 . . . . . . . . 4151 1 805 . 1 1 72 72 LEU CD2 C 13 26.09 . . 2 . . . . . . . . 4151 1 806 . 1 1 72 72 LEU N N 15 121.14 . . 1 . . . . . . . . 4151 1 807 . 1 1 73 73 TYR H H 1 8.13 . . 1 . . . . . . . . 4151 1 808 . 1 1 73 73 TYR HA H 1 4.14 . . 1 . . . . . . . . 4151 1 809 . 1 1 73 73 TYR HB2 H 1 3.21 . . 2 . . . . . . . . 4151 1 810 . 1 1 73 73 TYR HB3 H 1 3.36 . . 2 . . . . . . . . 4151 1 811 . 1 1 73 73 TYR HD1 H 1 7.04 . . 1 . . . . . . . . 4151 1 812 . 1 1 73 73 TYR HD2 H 1 7.04 . . 1 . . . . . . . . 4151 1 813 . 1 1 73 73 TYR HE1 H 1 6.73 . . 1 . . . . . . . . 4151 1 814 . 1 1 73 73 TYR HE2 H 1 6.73 . . 1 . . . . . . . . 4151 1 815 . 1 1 73 73 TYR C C 13 177.56 . . 1 . . . . . . . . 4151 1 816 . 1 1 73 73 TYR CA C 13 62.26 . . 1 . . . . . . . . 4151 1 817 . 1 1 73 73 TYR CB C 13 38.51 . . 1 . . . . . . . . 4151 1 818 . 1 1 73 73 TYR CD1 C 13 132.8 . . 1 . . . . . . . . 4151 1 819 . 1 1 73 73 TYR CD2 C 13 132.8 . . 1 . . . . . . . . 4151 1 820 . 1 1 73 73 TYR CE1 C 13 117.86 . . 1 . . . . . . . . 4151 1 821 . 1 1 73 73 TYR CE2 C 13 117.86 . . 1 . . . . . . . . 4151 1 822 . 1 1 73 73 TYR N N 15 119.04 . . 1 . . . . . . . . 4151 1 823 . 1 1 74 74 VAL H H 1 8.35 . . 1 . . . . . . . . 4151 1 824 . 1 1 74 74 VAL HA H 1 3.51 . . 1 . . . . . . . . 4151 1 825 . 1 1 74 74 VAL HB H 1 2.27 . . 1 . . . . . . . . 4151 1 826 . 1 1 74 74 VAL HG11 H 1 0.99 . . 2 . . . . . . . . 4151 1 827 . 1 1 74 74 VAL HG12 H 1 0.99 . . 2 . . . . . . . . 4151 1 828 . 1 1 74 74 VAL HG13 H 1 0.99 . . 2 . . . . . . . . 4151 1 829 . 1 1 74 74 VAL HG21 H 1 1.2 . . 2 . . . . . . . . 4151 1 830 . 1 1 74 74 VAL HG22 H 1 1.2 . . 2 . . . . . . . . 4151 1 831 . 1 1 74 74 VAL HG23 H 1 1.2 . . 2 . . . . . . . . 4151 1 832 . 1 1 74 74 VAL C C 13 177.44 . . 1 . . . . . . . . 4151 1 833 . 1 1 74 74 VAL CA C 13 66.84 . . 1 . . . . . . . . 4151 1 834 . 1 1 74 74 VAL CB C 13 31.65 . . 1 . . . . . . . . 4151 1 835 . 1 1 74 74 VAL CG1 C 13 21.91 . . 2 . . . . . . . . 4151 1 836 . 1 1 74 74 VAL CG2 C 13 23.38 . . 2 . . . . . . . . 4151 1 837 . 1 1 74 74 VAL N N 15 117.37 . . 1 . . . . . . . . 4151 1 838 . 1 1 75 75 MET H H 1 8.01 . . 1 . . . . . . . . 4151 1 839 . 1 1 75 75 MET HA H 1 3.99 . . 1 . . . . . . . . 4151 1 840 . 1 1 75 75 MET HB2 H 1 1.94 . . 2 . . . . . . . . 4151 1 841 . 1 1 75 75 MET HB3 H 1 2.13 . . 2 . . . . . . . . 4151 1 842 . 1 1 75 75 MET HG2 H 1 2.35 . . 2 . . . . . . . . 4151 1 843 . 1 1 75 75 MET HG3 H 1 2.55 . . 2 . . . . . . . . 4151 1 844 . 1 1 75 75 MET C C 13 177.63 . . 1 . . . . . . . . 4151 1 845 . 1 1 75 75 MET CA C 13 59.03 . . 1 . . . . . . . . 4151 1 846 . 1 1 75 75 MET CB C 13 32.83 . . 1 . . . . . . . . 4151 1 847 . 1 1 75 75 MET CG C 13 32.66 . . 1 . . . . . . . . 4151 1 848 . 1 1 75 75 MET N N 15 116.77 . . 1 . . . . . . . . 4151 1 849 . 1 1 76 76 PHE H H 1 8.08 . . 1 . . . . . . . . 4151 1 850 . 1 1 76 76 PHE HA H 1 4.4 . . 1 . . . . . . . . 4151 1 851 . 1 1 76 76 PHE HB2 H 1 3.07 . . 2 . . . . . . . . 4151 1 852 . 1 1 76 76 PHE HB3 H 1 3.16 . . 2 . . . . . . . . 4151 1 853 . 1 1 76 76 PHE HD1 H 1 7.3 . . 1 . . . . . . . . 4151 1 854 . 1 1 76 76 PHE HD2 H 1 7.3 . . 1 . . . . . . . . 4151 1 855 . 1 1 76 76 PHE HE1 H 1 7.24 . . 1 . . . . . . . . 4151 1 856 . 1 1 76 76 PHE HE2 H 1 7.24 . . 1 . . . . . . . . 4151 1 857 . 1 1 76 76 PHE HZ H 1 7.19 . . 1 . . . . . . . . 4151 1 858 . 1 1 76 76 PHE C C 13 176.84 . . 1 . . . . . . . . 4151 1 859 . 1 1 76 76 PHE CA C 13 59.94 . . 1 . . . . . . . . 4151 1 860 . 1 1 76 76 PHE CB C 13 39.52 . . 1 . . . . . . . . 4151 1 861 . 1 1 76 76 PHE CD1 C 13 131.68 . . 1 . . . . . . . . 4151 1 862 . 1 1 76 76 PHE CD2 C 13 131.68 . . 1 . . . . . . . . 4151 1 863 . 1 1 76 76 PHE CE1 C 13 130.78 . . 1 . . . . . . . . 4151 1 864 . 1 1 76 76 PHE CE2 C 13 130.78 . . 1 . . . . . . . . 4151 1 865 . 1 1 76 76 PHE CZ C 13 129.08 . . 1 . . . . . . . . 4151 1 866 . 1 1 76 76 PHE N N 15 115.23 . . 1 . . . . . . . . 4151 1 867 . 1 1 77 77 ALA H H 1 8.22 . . 1 . . . . . . . . 4151 1 868 . 1 1 77 77 ALA HA H 1 4.12 . . 1 . . . . . . . . 4151 1 869 . 1 1 77 77 ALA HB1 H 1 1.28 . . 1 . . . . . . . . 4151 1 870 . 1 1 77 77 ALA HB2 H 1 1.28 . . 1 . . . . . . . . 4151 1 871 . 1 1 77 77 ALA HB3 H 1 1.28 . . 1 . . . . . . . . 4151 1 872 . 1 1 77 77 ALA C C 13 178.63 . . 1 . . . . . . . . 4151 1 873 . 1 1 77 77 ALA CA C 13 54.12 . . 1 . . . . . . . . 4151 1 874 . 1 1 77 77 ALA CB C 13 19.04 . . 1 . . . . . . . . 4151 1 875 . 1 1 77 77 ALA N N 15 121.05 . . 1 . . . . . . . . 4151 1 876 . 1 1 78 78 VAL H H 1 7.67 . . 1 . . . . . . . . 4151 1 877 . 1 1 78 78 VAL HA H 1 4.14 . . 1 . . . . . . . . 4151 1 878 . 1 1 78 78 VAL HB H 1 2.27 . . 1 . . . . . . . . 4151 1 879 . 1 1 78 78 VAL HG11 H 1 0.97 . . 2 . . . . . . . . 4151 1 880 . 1 1 78 78 VAL HG12 H 1 0.97 . . 2 . . . . . . . . 4151 1 881 . 1 1 78 78 VAL HG13 H 1 0.97 . . 2 . . . . . . . . 4151 1 882 . 1 1 78 78 VAL HG21 H 1 1.09 . . 2 . . . . . . . . 4151 1 883 . 1 1 78 78 VAL HG22 H 1 1.09 . . 2 . . . . . . . . 4151 1 884 . 1 1 78 78 VAL HG23 H 1 1.09 . . 2 . . . . . . . . 4151 1 885 . 1 1 78 78 VAL C C 13 174.87 . . 1 . . . . . . . . 4151 1 886 . 1 1 78 78 VAL CA C 13 62.45 . . 1 . . . . . . . . 4151 1 887 . 1 1 78 78 VAL CB C 13 32.62 . . 1 . . . . . . . . 4151 1 888 . 1 1 78 78 VAL CG1 C 13 20.4 . . 2 . . . . . . . . 4151 1 889 . 1 1 78 78 VAL CG2 C 13 21.43 . . 2 . . . . . . . . 4151 1 890 . 1 1 78 78 VAL N N 15 112.9 . . 1 . . . . . . . . 4151 1 891 . 1 1 79 79 ALA H H 1 7.48 . . 1 . . . . . . . . 4151 1 892 . 1 1 79 79 ALA HA H 1 4.07 . . 1 . . . . . . . . 4151 1 893 . 1 1 79 79 ALA HB1 H 1 1.39 . . 1 . . . . . . . . 4151 1 894 . 1 1 79 79 ALA HB2 H 1 1.39 . . 1 . . . . . . . . 4151 1 895 . 1 1 79 79 ALA HB3 H 1 1.39 . . 1 . . . . . . . . 4151 1 896 . 1 1 79 79 ALA CA C 13 54.16 . . 1 . . . . . . . . 4151 1 897 . 1 1 79 79 ALA CB C 13 20.0 . . 1 . . . . . . . . 4151 1 898 . 1 1 79 79 ALA N N 15 129.11 . . 1 . . . . . . . . 4151 1 stop_ save_