data_4304 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4304 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignment of the Extended Neuronal Nitric Oxide Synthase PDZ Domain Complexed with an Associated Peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-02-04 _Entry.Accession_date 1999-02-06 _Entry.Last_release_date 2000-12-15 _Entry.Original_release_date 2000-12-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _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.Entry_ID 1 Hidehito Tochio . . . 4304 2 Qiang Zhang . . . 4304 3 Ming Li . . . 4304 4 Mingjie Zhang . . . 4304 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 4304 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 372 4304 '15N chemical shifts' 121 4304 '1H chemical shifts' 883 4304 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 . . 2000-12-15 1999-02-04 original author . 4304 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4304 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99260733 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Tochio, H., Zhang, Q., Li, M., and Zhang, M., "Solution Structure of the Extended Neuronal Nitric Oxide Synthase PDZ Domain Complexed with an Associated Peptide," Nat. Struct. Biol. 6, 417-421 (1999). ; _Citation.Title ; Solution Structure of the Extended Neuronal Nitric Oxide Synthase PDZ Domain Complexed with an Associated Peptide ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _Citation.Journal_name_full 'Nature Structural Biology' _Citation.Journal_volume 6 _Citation.Journal_issue . _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 417 _Citation.Page_last 421 _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.Entry_ID _Citation_author.Citation_ID 1 Hidehito Tochio . . . 4304 1 2 Qiang Zhang . . . 4304 1 3 Ming Li . . . 4304 1 4 Mingjie Zhang . . . 4304 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_nNOS_PDZ _Assembly.Sf_category assembly _Assembly.Sf_framecode nNOS_PDZ _Assembly.Entry_ID 4304 _Assembly.ID 1 _Assembly.Name 'neuronal nitric oxide synthase PDZ domain complexed with a peptide' _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 . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID hetero-dimer 4304 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 nNOS-PDZ 1 $nNOS-PDZ . . . native . . . . . 4304 1 2 melR 2 $melR . . . native . . . . . 4304 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1B8Q . 'A Chain A, Solution Structure Of The Extended Neuronal Nitric Oxide Synthase Pdz Domain Complexed With An Associated Peptide' . . . . 4304 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'neuronal nitric oxide synthase PDZ domain complexed with a peptide' system 4304 1 'nNOS PDZ' abbreviation 4304 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_nNOS-PDZ _Entity.Sf_category entity _Entity.Sf_framecode nNOS-PDZ _Entity.Entry_ID 4304 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'neuronal nitric oxide synthase' _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 ; GSHMIEPNVISVRLFKRKVG GLGFLVKERVSKPPVIISDL IRGGAAEQSGLIQAGDIILA VNDRPLVDLSYDSALEVLRG IASETHVVLILRGPEGFTTH LETTFTGDGTPKTIRVTQPL GPPTKAV ; _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 127 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 1.14.13.39 _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 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 1B8Q . "Solution Structure Of The Extended Neuronal Nitric Oxide Synthase Pdz Domain Complexed With An Associated Peptide" . . . . . 100.00 127 100.00 100.00 5.63e-65 . . . . 4304 1 no PDB 1QAU . "Unexpected Modes Of Pdz Domain Scaffolding Revealed By Structure Of Nnos-Syntrophin Complex" . . . . . 88.19 112 100.00 100.00 6.95e-56 . . . . 4304 1 no PDB 1QAV . "Unexpected Modes Of Pdz Domain Scaffolding Revealed By Structure Of Nnos-Syntrophin Complex" . . . . . 90.55 115 99.13 100.00 2.43e-57 . . . . 4304 1 no GB AAD40675 . "nitric oxide synthase [Ovis aries]" . . . . . 77.17 98 97.96 98.98 7.33e-46 . . . . 4304 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'neuronal nitric oxide synthase' common 4304 1 nNOS-PDZ abbreviation 4304 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 . GLY . 4304 1 2 . SER . 4304 1 3 . HIS . 4304 1 4 . MET . 4304 1 5 . ILE . 4304 1 6 . GLU . 4304 1 7 . PRO . 4304 1 8 . ASN . 4304 1 9 . VAL . 4304 1 10 . ILE . 4304 1 11 . SER . 4304 1 12 . VAL . 4304 1 13 . ARG . 4304 1 14 . LEU . 4304 1 15 . PHE . 4304 1 16 . LYS . 4304 1 17 . ARG . 4304 1 18 . LYS . 4304 1 19 . VAL . 4304 1 20 . GLY . 4304 1 21 . GLY . 4304 1 22 . LEU . 4304 1 23 . GLY . 4304 1 24 . PHE . 4304 1 25 . LEU . 4304 1 26 . VAL . 4304 1 27 . LYS . 4304 1 28 . GLU . 4304 1 29 . ARG . 4304 1 30 . VAL . 4304 1 31 . SER . 4304 1 32 . LYS . 4304 1 33 . PRO . 4304 1 34 . PRO . 4304 1 35 . VAL . 4304 1 36 . ILE . 4304 1 37 . ILE . 4304 1 38 . SER . 4304 1 39 . ASP . 4304 1 40 . LEU . 4304 1 41 . ILE . 4304 1 42 . ARG . 4304 1 43 . GLY . 4304 1 44 . GLY . 4304 1 45 . ALA . 4304 1 46 . ALA . 4304 1 47 . GLU . 4304 1 48 . GLN . 4304 1 49 . SER . 4304 1 50 . GLY . 4304 1 51 . LEU . 4304 1 52 . ILE . 4304 1 53 . GLN . 4304 1 54 . ALA . 4304 1 55 . GLY . 4304 1 56 . ASP . 4304 1 57 . ILE . 4304 1 58 . ILE . 4304 1 59 . LEU . 4304 1 60 . ALA . 4304 1 61 . VAL . 4304 1 62 . ASN . 4304 1 63 . ASP . 4304 1 64 . ARG . 4304 1 65 . PRO . 4304 1 66 . LEU . 4304 1 67 . VAL . 4304 1 68 . ASP . 4304 1 69 . LEU . 4304 1 70 . SER . 4304 1 71 . TYR . 4304 1 72 . ASP . 4304 1 73 . SER . 4304 1 74 . ALA . 4304 1 75 . LEU . 4304 1 76 . GLU . 4304 1 77 . VAL . 4304 1 78 . LEU . 4304 1 79 . ARG . 4304 1 80 . GLY . 4304 1 81 . ILE . 4304 1 82 . ALA . 4304 1 83 . SER . 4304 1 84 . GLU . 4304 1 85 . THR . 4304 1 86 . HIS . 4304 1 87 . VAL . 4304 1 88 . VAL . 4304 1 89 . LEU . 4304 1 90 . ILE . 4304 1 91 . LEU . 4304 1 92 . ARG . 4304 1 93 . GLY . 4304 1 94 . PRO . 4304 1 95 . GLU . 4304 1 96 . GLY . 4304 1 97 . PHE . 4304 1 98 . THR . 4304 1 99 . THR . 4304 1 100 . HIS . 4304 1 101 . LEU . 4304 1 102 . GLU . 4304 1 103 . THR . 4304 1 104 . THR . 4304 1 105 . PHE . 4304 1 106 . THR . 4304 1 107 . GLY . 4304 1 108 . ASP . 4304 1 109 . GLY . 4304 1 110 . THR . 4304 1 111 . PRO . 4304 1 112 . LYS . 4304 1 113 . THR . 4304 1 114 . ILE . 4304 1 115 . ARG . 4304 1 116 . VAL . 4304 1 117 . THR . 4304 1 118 . GLN . 4304 1 119 . PRO . 4304 1 120 . LEU . 4304 1 121 . GLY . 4304 1 122 . PRO . 4304 1 123 . PRO . 4304 1 124 . THR . 4304 1 125 . LYS . 4304 1 126 . ALA . 4304 1 127 . VAL . 4304 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 4304 1 . SER 2 2 4304 1 . HIS 3 3 4304 1 . MET 4 4 4304 1 . ILE 5 5 4304 1 . GLU 6 6 4304 1 . PRO 7 7 4304 1 . ASN 8 8 4304 1 . VAL 9 9 4304 1 . ILE 10 10 4304 1 . SER 11 11 4304 1 . VAL 12 12 4304 1 . ARG 13 13 4304 1 . LEU 14 14 4304 1 . PHE 15 15 4304 1 . LYS 16 16 4304 1 . ARG 17 17 4304 1 . LYS 18 18 4304 1 . VAL 19 19 4304 1 . GLY 20 20 4304 1 . GLY 21 21 4304 1 . LEU 22 22 4304 1 . GLY 23 23 4304 1 . PHE 24 24 4304 1 . LEU 25 25 4304 1 . VAL 26 26 4304 1 . LYS 27 27 4304 1 . GLU 28 28 4304 1 . ARG 29 29 4304 1 . VAL 30 30 4304 1 . SER 31 31 4304 1 . LYS 32 32 4304 1 . PRO 33 33 4304 1 . PRO 34 34 4304 1 . VAL 35 35 4304 1 . ILE 36 36 4304 1 . ILE 37 37 4304 1 . SER 38 38 4304 1 . ASP 39 39 4304 1 . LEU 40 40 4304 1 . ILE 41 41 4304 1 . ARG 42 42 4304 1 . GLY 43 43 4304 1 . GLY 44 44 4304 1 . ALA 45 45 4304 1 . ALA 46 46 4304 1 . GLU 47 47 4304 1 . GLN 48 48 4304 1 . SER 49 49 4304 1 . GLY 50 50 4304 1 . LEU 51 51 4304 1 . ILE 52 52 4304 1 . GLN 53 53 4304 1 . ALA 54 54 4304 1 . GLY 55 55 4304 1 . ASP 56 56 4304 1 . ILE 57 57 4304 1 . ILE 58 58 4304 1 . LEU 59 59 4304 1 . ALA 60 60 4304 1 . VAL 61 61 4304 1 . ASN 62 62 4304 1 . ASP 63 63 4304 1 . ARG 64 64 4304 1 . PRO 65 65 4304 1 . LEU 66 66 4304 1 . VAL 67 67 4304 1 . ASP 68 68 4304 1 . LEU 69 69 4304 1 . SER 70 70 4304 1 . TYR 71 71 4304 1 . ASP 72 72 4304 1 . SER 73 73 4304 1 . ALA 74 74 4304 1 . LEU 75 75 4304 1 . GLU 76 76 4304 1 . VAL 77 77 4304 1 . LEU 78 78 4304 1 . ARG 79 79 4304 1 . GLY 80 80 4304 1 . ILE 81 81 4304 1 . ALA 82 82 4304 1 . SER 83 83 4304 1 . GLU 84 84 4304 1 . THR 85 85 4304 1 . HIS 86 86 4304 1 . VAL 87 87 4304 1 . VAL 88 88 4304 1 . LEU 89 89 4304 1 . ILE 90 90 4304 1 . LEU 91 91 4304 1 . ARG 92 92 4304 1 . GLY 93 93 4304 1 . PRO 94 94 4304 1 . GLU 95 95 4304 1 . GLY 96 96 4304 1 . PHE 97 97 4304 1 . THR 98 98 4304 1 . THR 99 99 4304 1 . HIS 100 100 4304 1 . LEU 101 101 4304 1 . GLU 102 102 4304 1 . THR 103 103 4304 1 . THR 104 104 4304 1 . PHE 105 105 4304 1 . THR 106 106 4304 1 . GLY 107 107 4304 1 . ASP 108 108 4304 1 . GLY 109 109 4304 1 . THR 110 110 4304 1 . PRO 111 111 4304 1 . LYS 112 112 4304 1 . THR 113 113 4304 1 . ILE 114 114 4304 1 . ARG 115 115 4304 1 . VAL 116 116 4304 1 . THR 117 117 4304 1 . GLN 118 118 4304 1 . PRO 119 119 4304 1 . LEU 120 120 4304 1 . GLY 121 121 4304 1 . PRO 122 122 4304 1 . PRO 123 123 4304 1 . THR 124 124 4304 1 . LYS 125 125 4304 1 . ALA 126 126 4304 1 . VAL 127 127 4304 1 stop_ save_ save_melR _Entity.Sf_category entity _Entity.Sf_framecode melR _Entity.Entry_ID 4304 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'melatonin receptor C-terminal peptide' _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 VVKVDSV _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 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _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 'melatonin receptor C-terminal peptide' common 4304 2 melR abbreviation 4304 2 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 . VAL . 4304 2 2 . VAL . 4304 2 3 . LYS . 4304 2 4 . VAL . 4304 2 5 . ASP . 4304 2 6 . SER . 4304 2 7 . VAL . 4304 2 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 . VAL 1 1 4304 2 . VAL 2 2 4304 2 . LYS 3 3 4304 2 . VAL 4 4 4304 2 . ASP 5 5 4304 2 . SER 6 6 4304 2 . VAL 7 7 4304 2 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 4304 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $nNOS-PDZ . 10116 . . 'Rattus norvegicus' 'Norway rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 4304 1 2 2 $melR . 10116 . . 'Rattus norvegicus' 'Norway rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 4304 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 4304 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $nNOS-PDZ . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4304 1 2 2 $melR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4304 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4304 _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 'neuronal nitric oxide synthase' . . . 1 $nNOS-PDZ . . 1.5 . . mM . . . . 4304 1 2 'melatonin receptor C-terminal peptide' . . . 2 $melR . . 2 . . mM . . . . 4304 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4304 _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 6.0 0.1 na 4304 1 temperature 303 0.5 K 4304 1 stop_ save_ save_Ex-cond_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_2 _Sample_condition_list.Entry_ID 4304 _Sample_condition_list.ID 2 _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* 6.0 0.1 na 4304 2 temperature 303 0.5 K 4304 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4304 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4304 _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 Varian INOVA . 500 . . . 4304 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 4304 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4304 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4304 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4304 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4304 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4304 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 4304 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 4 4 MET N N 15 121.760 . . 1 . . . . . . . . 4304 1 2 . 1 1 4 4 MET H H 1 8.420 . . 1 . . . . . . . . 4304 1 3 . 1 1 5 5 ILE N N 15 123.040 . . 1 . . . . . . . . 4304 1 4 . 1 1 5 5 ILE H H 1 8.230 . . 1 . . . . . . . . 4304 1 5 . 1 1 5 5 ILE HA H 1 4.160 . . 1 . . . . . . . . 4304 1 6 . 1 1 5 5 ILE HB H 1 1.850 . . 1 . . . . . . . . 4304 1 7 . 1 1 5 5 ILE CA C 13 61.510 . . 1 . . . . . . . . 4304 1 8 . 1 1 5 5 ILE CB C 13 38.750 . . 1 . . . . . . . . 4304 1 9 . 1 1 5 5 ILE CG1 C 13 27.770 . . 1 . . . . . . . . 4304 1 10 . 1 1 5 5 ILE CG2 C 13 18.030 . . 1 . . . . . . . . 4304 1 11 . 1 1 5 5 ILE CD1 C 13 13.040 . . 1 . . . . . . . . 4304 1 12 . 1 1 5 5 ILE HG12 H 1 1.460 . . 2 . . . . . . . . 4304 1 13 . 1 1 5 5 ILE HG13 H 1 1.210 . . 2 . . . . . . . . 4304 1 14 . 1 1 5 5 ILE HG21 H 1 0.900 . . 1 . . . . . . . . 4304 1 15 . 1 1 5 5 ILE HG22 H 1 0.900 . . 1 . . . . . . . . 4304 1 16 . 1 1 5 5 ILE HG23 H 1 0.900 . . 1 . . . . . . . . 4304 1 17 . 1 1 5 5 ILE HD11 H 1 0.850 . . 1 . . . . . . . . 4304 1 18 . 1 1 5 5 ILE HD12 H 1 0.850 . . 1 . . . . . . . . 4304 1 19 . 1 1 5 5 ILE HD13 H 1 0.850 . . 1 . . . . . . . . 4304 1 20 . 1 1 6 6 GLU N N 15 125.120 . . 1 . . . . . . . . 4304 1 21 . 1 1 6 6 GLU H H 1 8.320 . . 1 . . . . . . . . 4304 1 22 . 1 1 6 6 GLU HA H 1 4.658 . . 1 . . . . . . . . 4304 1 23 . 1 1 6 6 GLU CA C 13 54.040 . . 1 . . . . . . . . 4304 1 24 . 1 1 6 6 GLU CG C 13 34.180 . . 1 . . . . . . . . 4304 1 25 . 1 1 6 6 GLU CB C 13 29.760 . . 1 . . . . . . . . 4304 1 26 . 1 1 6 6 GLU HG2 H 1 2.350 . . 1 . . . . . . . . 4304 1 27 . 1 1 6 6 GLU HG3 H 1 2.350 . . 1 . . . . . . . . 4304 1 28 . 1 1 6 6 GLU HB2 H 1 2.120 . . 2 . . . . . . . . 4304 1 29 . 1 1 6 6 GLU HB3 H 1 1.900 . . 2 . . . . . . . . 4304 1 30 . 1 1 7 7 PRO HA H 1 4.500 . . 1 . . . . . . . . 4304 1 31 . 1 1 7 7 PRO CA C 13 64.330 . . 1 . . . . . . . . 4304 1 32 . 1 1 7 7 PRO CB C 13 33.000 . . 1 . . . . . . . . 4304 1 33 . 1 1 7 7 PRO HD3 H 1 3.820 . . 2 . . . . . . . . 4304 1 34 . 1 1 7 7 PRO HD2 H 1 3.730 . . 2 . . . . . . . . 4304 1 35 . 1 1 7 7 PRO HB3 H 1 2.350 . . 2 . . . . . . . . 4304 1 36 . 1 1 7 7 PRO HB2 H 1 2.100 . . 2 . . . . . . . . 4304 1 37 . 1 1 8 8 ASN N N 15 116.830 . . 1 . . . . . . . . 4304 1 38 . 1 1 8 8 ASN H H 1 8.810 . . 1 . . . . . . . . 4304 1 39 . 1 1 8 8 ASN HA H 1 4.860 . . 1 . . . . . . . . 4304 1 40 . 1 1 8 8 ASN CA C 13 54.300 . . 1 . . . . . . . . 4304 1 41 . 1 1 8 8 ASN CB C 13 38.830 . . 1 . . . . . . . . 4304 1 42 . 1 1 8 8 ASN ND2 N 15 113.300 . . 1 . . . . . . . . 4304 1 43 . 1 1 8 8 ASN HB2 H 1 3.030 . . 1 . . . . . . . . 4304 1 44 . 1 1 8 8 ASN HB3 H 1 3.030 . . 1 . . . . . . . . 4304 1 45 . 1 1 8 8 ASN HD21 H 1 7.370 . . 2 . . . . . . . . 4304 1 46 . 1 1 8 8 ASN HD22 H 1 6.760 . . 2 . . . . . . . . 4304 1 47 . 1 1 9 9 VAL N N 15 119.200 . . 1 . . . . . . . . 4304 1 48 . 1 1 9 9 VAL H H 1 7.600 . . 1 . . . . . . . . 4304 1 49 . 1 1 9 9 VAL HA H 1 5.180 . . 1 . . . . . . . . 4304 1 50 . 1 1 9 9 VAL HB H 1 1.880 . . 1 . . . . . . . . 4304 1 51 . 1 1 9 9 VAL CA C 13 61.550 . . 1 . . . . . . . . 4304 1 52 . 1 1 9 9 VAL CB C 13 34.300 . . 1 . . . . . . . . 4304 1 53 . 1 1 9 9 VAL CG1 C 13 22.620 . . 2 . . . . . . . . 4304 1 54 . 1 1 9 9 VAL CG2 C 13 22.480 . . 2 . . . . . . . . 4304 1 55 . 1 1 9 9 VAL HG11 H 1 0.850 . . 2 . . . . . . . . 4304 1 56 . 1 1 9 9 VAL HG12 H 1 0.850 . . 2 . . . . . . . . 4304 1 57 . 1 1 9 9 VAL HG13 H 1 0.850 . . 2 . . . . . . . . 4304 1 58 . 1 1 9 9 VAL HG21 H 1 0.780 . . 2 . . . . . . . . 4304 1 59 . 1 1 9 9 VAL HG22 H 1 0.780 . . 2 . . . . . . . . 4304 1 60 . 1 1 9 9 VAL HG23 H 1 0.780 . . 2 . . . . . . . . 4304 1 61 . 1 1 10 10 ILE N N 15 121.480 . . 1 . . . . . . . . 4304 1 62 . 1 1 10 10 ILE H H 1 9.000 . . 1 . . . . . . . . 4304 1 63 . 1 1 10 10 ILE HA H 1 4.900 . . 1 . . . . . . . . 4304 1 64 . 1 1 10 10 ILE HB H 1 1.640 . . 1 . . . . . . . . 4304 1 65 . 1 1 10 10 ILE CA C 13 62.200 . . 1 . . . . . . . . 4304 1 66 . 1 1 10 10 ILE CB C 13 42.880 . . 1 . . . . . . . . 4304 1 67 . 1 1 10 10 ILE CG1 C 13 26.390 . . 1 . . . . . . . . 4304 1 68 . 1 1 10 10 ILE CG2 C 13 19.000 . . 1 . . . . . . . . 4304 1 69 . 1 1 10 10 ILE CD1 C 13 13.670 . . 1 . . . . . . . . 4304 1 70 . 1 1 10 10 ILE HG12 H 1 1.270 . . 1 . . . . . . . . 4304 1 71 . 1 1 10 10 ILE HG13 H 1 1.270 . . 1 . . . . . . . . 4304 1 72 . 1 1 10 10 ILE HG21 H 1 0.760 . . 1 . . . . . . . . 4304 1 73 . 1 1 10 10 ILE HG22 H 1 0.760 . . 1 . . . . . . . . 4304 1 74 . 1 1 10 10 ILE HG23 H 1 0.760 . . 1 . . . . . . . . 4304 1 75 . 1 1 10 10 ILE HD11 H 1 0.650 . . 1 . . . . . . . . 4304 1 76 . 1 1 10 10 ILE HD12 H 1 0.650 . . 1 . . . . . . . . 4304 1 77 . 1 1 10 10 ILE HD13 H 1 0.650 . . 1 . . . . . . . . 4304 1 78 . 1 1 11 11 SER HA H 1 5.390 . . 1 . . . . . . . . 4304 1 79 . 1 1 11 11 SER CB C 13 64.760 . . 1 . . . . . . . . 4304 1 80 . 1 1 11 11 SER CA C 13 56.010 . . 1 . . . . . . . . 4304 1 81 . 1 1 11 11 SER HB2 H 1 3.450 . . 1 . . . . . . . . 4304 1 82 . 1 1 11 11 SER HB3 H 1 3.450 . . 1 . . . . . . . . 4304 1 83 . 1 1 12 12 VAL N N 15 123.380 . . 1 . . . . . . . . 4304 1 84 . 1 1 12 12 VAL H H 1 8.980 . . 1 . . . . . . . . 4304 1 85 . 1 1 12 12 VAL HA H 1 4.330 . . 1 . . . . . . . . 4304 1 86 . 1 1 12 12 VAL HB H 1 1.820 . . 1 . . . . . . . . 4304 1 87 . 1 1 12 12 VAL CA C 13 61.050 . . 1 . . . . . . . . 4304 1 88 . 1 1 12 12 VAL CB C 13 36.230 . . 1 . . . . . . . . 4304 1 89 . 1 1 12 12 VAL CG1 C 13 22.100 . . 1 . . . . . . . . 4304 1 90 . 1 1 12 12 VAL CG2 C 13 22.100 . . 1 . . . . . . . . 4304 1 91 . 1 1 12 12 VAL HG11 H 1 0.880 . . 2 . . . . . . . . 4304 1 92 . 1 1 12 12 VAL HG12 H 1 0.880 . . 2 . . . . . . . . 4304 1 93 . 1 1 12 12 VAL HG13 H 1 0.880 . . 2 . . . . . . . . 4304 1 94 . 1 1 12 12 VAL HG21 H 1 0.810 . . 2 . . . . . . . . 4304 1 95 . 1 1 12 12 VAL HG22 H 1 0.810 . . 2 . . . . . . . . 4304 1 96 . 1 1 12 12 VAL HG23 H 1 0.810 . . 2 . . . . . . . . 4304 1 97 . 1 1 13 13 ARG N N 15 127.940 . . 1 . . . . . . . . 4304 1 98 . 1 1 13 13 ARG H H 1 8.470 . . 1 . . . . . . . . 4304 1 99 . 1 1 13 13 ARG HA H 1 5.400 . . 1 . . . . . . . . 4304 1 100 . 1 1 13 13 ARG CA C 13 55.010 . . 1 . . . . . . . . 4304 1 101 . 1 1 13 13 ARG CD C 13 43.990 . . 1 . . . . . . . . 4304 1 102 . 1 1 13 13 ARG CB C 13 32.270 . . 1 . . . . . . . . 4304 1 103 . 1 1 13 13 ARG CG C 13 28.540 . . 1 . . . . . . . . 4304 1 104 . 1 1 13 13 ARG HD2 H 1 3.010 . . 1 . . . . . . . . 4304 1 105 . 1 1 13 13 ARG HD3 H 1 3.010 . . 1 . . . . . . . . 4304 1 106 . 1 1 13 13 ARG HB2 H 1 1.830 . . 1 . . . . . . . . 4304 1 107 . 1 1 13 13 ARG HB3 H 1 1.830 . . 1 . . . . . . . . 4304 1 108 . 1 1 13 13 ARG HG2 H 1 1.470 . . 1 . . . . . . . . 4304 1 109 . 1 1 13 13 ARG HG3 H 1 1.470 . . 1 . . . . . . . . 4304 1 110 . 1 1 14 14 LEU N N 15 126.770 . . 1 . . . . . . . . 4304 1 111 . 1 1 14 14 LEU H H 1 9.190 . . 1 . . . . . . . . 4304 1 112 . 1 1 14 14 LEU HA H 1 4.901 . . 1 . . . . . . . . 4304 1 113 . 1 1 14 14 LEU HG H 1 1.630 . . 1 . . . . . . . . 4304 1 114 . 1 1 14 14 LEU CA C 13 53.710 . . 1 . . . . . . . . 4304 1 115 . 1 1 14 14 LEU CB C 13 47.490 . . 1 . . . . . . . . 4304 1 116 . 1 1 14 14 LEU CG C 13 27.390 . . 1 . . . . . . . . 4304 1 117 . 1 1 14 14 LEU HB2 H 1 1.470 . . 1 . . . . . . . . 4304 1 118 . 1 1 14 14 LEU HB3 H 1 1.470 . . 1 . . . . . . . . 4304 1 119 . 1 1 14 14 LEU CD1 C 13 26.490 . . 1 . . . . . . . . 4304 1 120 . 1 1 14 14 LEU CD2 C 13 25.080 . . 1 . . . . . . . . 4304 1 121 . 1 1 14 14 LEU HD21 H 1 0.950 . . 1 . . . . . . . . 4304 1 122 . 1 1 14 14 LEU HD22 H 1 0.950 . . 1 . . . . . . . . 4304 1 123 . 1 1 14 14 LEU HD23 H 1 0.950 . . 1 . . . . . . . . 4304 1 124 . 1 1 14 14 LEU HD11 H 1 0.930 . . 1 . . . . . . . . 4304 1 125 . 1 1 14 14 LEU HD12 H 1 0.930 . . 1 . . . . . . . . 4304 1 126 . 1 1 14 14 LEU HD13 H 1 0.930 . . 1 . . . . . . . . 4304 1 127 . 1 1 15 15 PHE N N 15 124.860 . . 1 . . . . . . . . 4304 1 128 . 1 1 15 15 PHE H H 1 8.460 . . 1 . . . . . . . . 4304 1 129 . 1 1 15 15 PHE HA H 1 4.540 . . 1 . . . . . . . . 4304 1 130 . 1 1 15 15 PHE CA C 13 57.060 . . 1 . . . . . . . . 4304 1 131 . 1 1 15 15 PHE CB C 13 41.070 . . 1 . . . . . . . . 4304 1 132 . 1 1 15 15 PHE HE2 H 1 7.010 . . 1 . . . . . . . . 4304 1 133 . 1 1 15 15 PHE HE1 H 1 7.010 . . 1 . . . . . . . . 4304 1 134 . 1 1 15 15 PHE HD2 H 1 6.130 . . 1 . . . . . . . . 4304 1 135 . 1 1 15 15 PHE HD1 H 1 6.130 . . 1 . . . . . . . . 4304 1 136 . 1 1 15 15 PHE HB3 H 1 2.910 . . 2 . . . . . . . . 4304 1 137 . 1 1 15 15 PHE HB2 H 1 2.610 . . 2 . . . . . . . . 4304 1 138 . 1 1 16 16 LYS N N 15 125.850 . . 1 . . . . . . . . 4304 1 139 . 1 1 16 16 LYS H H 1 7.760 . . 1 . . . . . . . . 4304 1 140 . 1 1 16 16 LYS HA H 1 3.690 . . 1 . . . . . . . . 4304 1 141 . 1 1 16 16 LYS CA C 13 56.810 . . 1 . . . . . . . . 4304 1 142 . 1 1 16 16 LYS CB C 13 32.890 . . 1 . . . . . . . . 4304 1 143 . 1 1 16 16 LYS HB2 H 1 1.720 . . 1 . . . . . . . . 4304 1 144 . 1 1 16 16 LYS HB3 H 1 1.720 . . 1 . . . . . . . . 4304 1 145 . 1 1 17 17 ARG N N 15 128.210 . . 1 . . . . . . . . 4304 1 146 . 1 1 17 17 ARG H H 1 7.400 . . 1 . . . . . . . . 4304 1 147 . 1 1 17 17 ARG HA H 1 4.210 . . 1 . . . . . . . . 4304 1 148 . 1 1 17 17 ARG CA C 13 56.810 . . 1 . . . . . . . . 4304 1 149 . 1 1 17 17 ARG CD C 13 43.530 . . 1 . . . . . . . . 4304 1 150 . 1 1 17 17 ARG CB C 13 32.130 . . 1 . . . . . . . . 4304 1 151 . 1 1 17 17 ARG CG C 13 27.220 . . 1 . . . . . . . . 4304 1 152 . 1 1 17 17 ARG HD2 H 1 3.280 . . 1 . . . . . . . . 4304 1 153 . 1 1 17 17 ARG HD3 H 1 3.280 . . 1 . . . . . . . . 4304 1 154 . 1 1 17 17 ARG HB3 H 1 2.000 . . 2 . . . . . . . . 4304 1 155 . 1 1 17 17 ARG HB2 H 1 1.800 . . 2 . . . . . . . . 4304 1 156 . 1 1 17 17 ARG HG2 H 1 1.770 . . 2 . . . . . . . . 4304 1 157 . 1 1 17 17 ARG HG3 H 1 1.670 . . 2 . . . . . . . . 4304 1 158 . 1 1 18 18 LYS N N 15 124.050 . . 1 . . . . . . . . 4304 1 159 . 1 1 18 18 LYS H H 1 9.230 . . 1 . . . . . . . . 4304 1 160 . 1 1 18 18 LYS HA H 1 3.930 . . 1 . . . . . . . . 4304 1 161 . 1 1 18 18 LYS CA C 13 60.150 . . 1 . . . . . . . . 4304 1 162 . 1 1 18 18 LYS CE C 13 42.570 . . 1 . . . . . . . . 4304 1 163 . 1 1 18 18 LYS CB C 13 33.010 . . 1 . . . . . . . . 4304 1 164 . 1 1 18 18 LYS CD C 13 29.880 . . 1 . . . . . . . . 4304 1 165 . 1 1 18 18 LYS CG C 13 25.520 . . 1 . . . . . . . . 4304 1 166 . 1 1 18 18 LYS HE2 H 1 2.960 . . 1 . . . . . . . . 4304 1 167 . 1 1 18 18 LYS HE3 H 1 2.960 . . 1 . . . . . . . . 4304 1 168 . 1 1 18 18 LYS HB2 H 1 1.870 . . 1 . . . . . . . . 4304 1 169 . 1 1 18 18 LYS HB3 H 1 1.870 . . 1 . . . . . . . . 4304 1 170 . 1 1 18 18 LYS HD2 H 1 1.690 . . 1 . . . . . . . . 4304 1 171 . 1 1 18 18 LYS HD3 H 1 1.690 . . 1 . . . . . . . . 4304 1 172 . 1 1 18 18 LYS HG2 H 1 1.440 . . 1 . . . . . . . . 4304 1 173 . 1 1 18 18 LYS HG3 H 1 1.440 . . 1 . . . . . . . . 4304 1 174 . 1 1 19 19 VAL N N 15 117.620 . . 1 . . . . . . . . 4304 1 175 . 1 1 19 19 VAL H H 1 8.040 . . 1 . . . . . . . . 4304 1 176 . 1 1 19 19 VAL HA H 1 4.100 . . 1 . . . . . . . . 4304 1 177 . 1 1 19 19 VAL HB H 1 2.050 . . 1 . . . . . . . . 4304 1 178 . 1 1 19 19 VAL CA C 13 62.520 . . 1 . . . . . . . . 4304 1 179 . 1 1 19 19 VAL CB C 13 32.030 . . 1 . . . . . . . . 4304 1 180 . 1 1 19 19 VAL CG2 C 13 22.170 . . 2 . . . . . . . . 4304 1 181 . 1 1 19 19 VAL CG1 C 13 21.230 . . 2 . . . . . . . . 4304 1 182 . 1 1 19 19 VAL HG11 H 1 0.890 . . 1 . . . . . . . . 4304 1 183 . 1 1 19 19 VAL HG12 H 1 0.890 . . 1 . . . . . . . . 4304 1 184 . 1 1 19 19 VAL HG13 H 1 0.890 . . 1 . . . . . . . . 4304 1 185 . 1 1 19 19 VAL HG21 H 1 0.890 . . 1 . . . . . . . . 4304 1 186 . 1 1 19 19 VAL HG22 H 1 0.890 . . 1 . . . . . . . . 4304 1 187 . 1 1 19 19 VAL HG23 H 1 0.890 . . 1 . . . . . . . . 4304 1 188 . 1 1 20 20 GLY N N 15 114.930 . . 1 . . . . . . . . 4304 1 189 . 1 1 20 20 GLY H H 1 8.600 . . 1 . . . . . . . . 4304 1 190 . 1 1 20 20 GLY CA C 13 45.050 . . 1 . . . . . . . . 4304 1 191 . 1 1 20 20 GLY HA2 H 1 4.340 . . 2 . . . . . . . . 4304 1 192 . 1 1 20 20 GLY HA3 H 1 3.561 . . 2 . . . . . . . . 4304 1 193 . 1 1 21 21 GLY N N 15 109.470 . . 1 . . . . . . . . 4304 1 194 . 1 1 21 21 GLY H H 1 7.460 . . 1 . . . . . . . . 4304 1 195 . 1 1 21 21 GLY CA C 13 47.410 . . 1 . . . . . . . . 4304 1 196 . 1 1 21 21 GLY HA2 H 1 4.020 . . 2 . . . . . . . . 4304 1 197 . 1 1 21 21 GLY HA3 H 1 3.690 . . 2 . . . . . . . . 4304 1 198 . 1 1 22 22 LEU N N 15 131.730 . . 1 . . . . . . . . 4304 1 199 . 1 1 22 22 LEU H H 1 11.240 . . 1 . . . . . . . . 4304 1 200 . 1 1 22 22 LEU HA H 1 4.220 . . 1 . . . . . . . . 4304 1 201 . 1 1 22 22 LEU HG H 1 1.540 . . 1 . . . . . . . . 4304 1 202 . 1 1 22 22 LEU CA C 13 56.850 . . 1 . . . . . . . . 4304 1 203 . 1 1 22 22 LEU CB C 13 42.110 . . 1 . . . . . . . . 4304 1 204 . 1 1 22 22 LEU CD1 C 13 26.340 . . 1 . . . . . . . . 4304 1 205 . 1 1 22 22 LEU CD2 C 13 23.330 . . 1 . . . . . . . . 4304 1 206 . 1 1 22 22 LEU HD11 H 1 0.740 . . 1 . . . . . . . . 4304 1 207 . 1 1 22 22 LEU HD12 H 1 0.740 . . 1 . . . . . . . . 4304 1 208 . 1 1 22 22 LEU HD13 H 1 0.740 . . 1 . . . . . . . . 4304 1 209 . 1 1 22 22 LEU HD21 H 1 0.670 . . 1 . . . . . . . . 4304 1 210 . 1 1 22 22 LEU HD22 H 1 0.670 . . 1 . . . . . . . . 4304 1 211 . 1 1 22 22 LEU HD23 H 1 0.670 . . 1 . . . . . . . . 4304 1 212 . 1 1 23 23 GLY N N 15 105.970 . . 1 . . . . . . . . 4304 1 213 . 1 1 23 23 GLY H H 1 8.850 . . 1 . . . . . . . . 4304 1 214 . 1 1 23 23 GLY CA C 13 47.020 . . 1 . . . . . . . . 4304 1 215 . 1 1 23 23 GLY HA2 H 1 4.250 . . 2 . . . . . . . . 4304 1 216 . 1 1 23 23 GLY HA3 H 1 4.000 . . 2 . . . . . . . . 4304 1 217 . 1 1 24 24 PHE N N 15 117.800 . . 1 . . . . . . . . 4304 1 218 . 1 1 24 24 PHE H H 1 7.990 . . 1 . . . . . . . . 4304 1 219 . 1 1 24 24 PHE HA H 1 5.190 . . 1 . . . . . . . . 4304 1 220 . 1 1 24 24 PHE CA C 13 56.520 . . 1 . . . . . . . . 4304 1 221 . 1 1 24 24 PHE CB C 13 41.390 . . 1 . . . . . . . . 4304 1 222 . 1 1 24 24 PHE HE2 H 1 6.810 . . 1 . . . . . . . . 4304 1 223 . 1 1 24 24 PHE HE1 H 1 6.810 . . 1 . . . . . . . . 4304 1 224 . 1 1 24 24 PHE HD2 H 1 6.790 . . 1 . . . . . . . . 4304 1 225 . 1 1 24 24 PHE HD1 H 1 6.790 . . 1 . . . . . . . . 4304 1 226 . 1 1 24 24 PHE HB3 H 1 3.450 . . 2 . . . . . . . . 4304 1 227 . 1 1 24 24 PHE HB2 H 1 3.020 . . 2 . . . . . . . . 4304 1 228 . 1 1 25 25 LEU N N 15 119.590 . . 1 . . . . . . . . 4304 1 229 . 1 1 25 25 LEU H H 1 8.710 . . 1 . . . . . . . . 4304 1 230 . 1 1 25 25 LEU HA H 1 5.390 . . 1 . . . . . . . . 4304 1 231 . 1 1 25 25 LEU HG H 1 1.490 . . 1 . . . . . . . . 4304 1 232 . 1 1 25 25 LEU CA C 13 53.870 . . 1 . . . . . . . . 4304 1 233 . 1 1 25 25 LEU CB C 13 43.590 . . 1 . . . . . . . . 4304 1 234 . 1 1 25 25 LEU CG C 13 28.320 . . 1 . . . . . . . . 4304 1 235 . 1 1 25 25 LEU HB2 H 1 1.690 . . 1 . . . . . . . . 4304 1 236 . 1 1 25 25 LEU HB3 H 1 1.690 . . 1 . . . . . . . . 4304 1 237 . 1 1 25 25 LEU CD1 C 13 25.710 . . 1 . . . . . . . . 4304 1 238 . 1 1 25 25 LEU CD2 C 13 24.710 . . 1 . . . . . . . . 4304 1 239 . 1 1 25 25 LEU HD11 H 1 0.820 . . 1 . . . . . . . . 4304 1 240 . 1 1 25 25 LEU HD12 H 1 0.820 . . 1 . . . . . . . . 4304 1 241 . 1 1 25 25 LEU HD13 H 1 0.820 . . 1 . . . . . . . . 4304 1 242 . 1 1 25 25 LEU HD21 H 1 0.810 . . 1 . . . . . . . . 4304 1 243 . 1 1 25 25 LEU HD22 H 1 0.810 . . 1 . . . . . . . . 4304 1 244 . 1 1 25 25 LEU HD23 H 1 0.810 . . 1 . . . . . . . . 4304 1 245 . 1 1 26 26 VAL N N 15 115.680 . . 1 . . . . . . . . 4304 1 246 . 1 1 26 26 VAL H H 1 9.230 . . 1 . . . . . . . . 4304 1 247 . 1 1 26 26 VAL HA H 1 5.490 . . 1 . . . . . . . . 4304 1 248 . 1 1 26 26 VAL HB H 1 2.340 . . 1 . . . . . . . . 4304 1 249 . 1 1 26 26 VAL CA C 13 58.830 . . 1 . . . . . . . . 4304 1 250 . 1 1 26 26 VAL CB C 13 35.810 . . 1 . . . . . . . . 4304 1 251 . 1 1 26 26 VAL CG1 C 13 24.150 . . 1 . . . . . . . . 4304 1 252 . 1 1 26 26 VAL CG2 C 13 19.140 . . 1 . . . . . . . . 4304 1 253 . 1 1 26 26 VAL HG21 H 1 0.980 . . 1 . . . . . . . . 4304 1 254 . 1 1 26 26 VAL HG22 H 1 0.980 . . 1 . . . . . . . . 4304 1 255 . 1 1 26 26 VAL HG23 H 1 0.980 . . 1 . . . . . . . . 4304 1 256 . 1 1 26 26 VAL HG11 H 1 0.930 . . 1 . . . . . . . . 4304 1 257 . 1 1 26 26 VAL HG12 H 1 0.930 . . 1 . . . . . . . . 4304 1 258 . 1 1 26 26 VAL HG13 H 1 0.930 . . 1 . . . . . . . . 4304 1 259 . 1 1 27 27 LYS N N 15 117.580 . . 1 . . . . . . . . 4304 1 260 . 1 1 27 27 LYS H H 1 8.870 . . 1 . . . . . . . . 4304 1 261 . 1 1 27 27 LYS HA H 1 5.110 . . 1 . . . . . . . . 4304 1 262 . 1 1 27 27 LYS CA C 13 54.820 . . 1 . . . . . . . . 4304 1 263 . 1 1 27 27 LYS CE C 13 42.810 . . 1 . . . . . . . . 4304 1 264 . 1 1 27 27 LYS CB C 13 37.730 . . 1 . . . . . . . . 4304 1 265 . 1 1 27 27 LYS CD C 13 30.430 . . 1 . . . . . . . . 4304 1 266 . 1 1 27 27 LYS CG C 13 25.290 . . 1 . . . . . . . . 4304 1 267 . 1 1 27 27 LYS HE2 H 1 2.830 . . 2 . . . . . . . . 4304 1 268 . 1 1 27 27 LYS HB2 H 1 1.760 . . 1 . . . . . . . . 4304 1 269 . 1 1 27 27 LYS HB3 H 1 1.760 . . 1 . . . . . . . . 4304 1 270 . 1 1 27 27 LYS HD2 H 1 1.570 . . 1 . . . . . . . . 4304 1 271 . 1 1 27 27 LYS HD3 H 1 1.570 . . 1 . . . . . . . . 4304 1 272 . 1 1 27 27 LYS HG3 H 1 1.430 . . 2 . . . . . . . . 4304 1 273 . 1 1 27 27 LYS HG2 H 1 1.350 . . 2 . . . . . . . . 4304 1 274 . 1 1 28 28 GLU N N 15 122.040 . . 1 . . . . . . . . 4304 1 275 . 1 1 28 28 GLU H H 1 7.710 . . 1 . . . . . . . . 4304 1 276 . 1 1 28 28 GLU HA H 1 4.490 . . 1 . . . . . . . . 4304 1 277 . 1 1 28 28 GLU CA C 13 56.330 . . 1 . . . . . . . . 4304 1 278 . 1 1 28 28 GLU CB C 13 30.730 . . 1 . . . . . . . . 4304 1 279 . 1 1 28 28 GLU HG2 H 1 2.050 . . 1 . . . . . . . . 4304 1 280 . 1 1 28 28 GLU HG3 H 1 2.050 . . 1 . . . . . . . . 4304 1 281 . 1 1 28 28 GLU HB3 H 1 1.400 . . 2 . . . . . . . . 4304 1 282 . 1 1 28 28 GLU HB2 H 1 0.580 . . 2 . . . . . . . . 4304 1 283 . 1 1 29 29 ARG N N 15 126.610 . . 1 . . . . . . . . 4304 1 284 . 1 1 29 29 ARG H H 1 8.650 . . 1 . . . . . . . . 4304 1 285 . 1 1 29 29 ARG HA H 1 4.530 . . 1 . . . . . . . . 4304 1 286 . 1 1 29 29 ARG CA C 13 55.410 . . 1 . . . . . . . . 4304 1 287 . 1 1 29 29 ARG CB C 13 33.080 . . 1 . . . . . . . . 4304 1 288 . 1 1 30 30 VAL N N 15 118.670 . . 1 . . . . . . . . 4304 1 289 . 1 1 30 30 VAL H H 1 8.280 . . 1 . . . . . . . . 4304 1 290 . 1 1 30 30 VAL HA H 1 4.010 . . 1 . . . . . . . . 4304 1 291 . 1 1 30 30 VAL HB H 1 2.180 . . 1 . . . . . . . . 4304 1 292 . 1 1 30 30 VAL CA C 13 64.050 . . 1 . . . . . . . . 4304 1 293 . 1 1 30 30 VAL CB C 13 31.740 . . 1 . . . . . . . . 4304 1 294 . 1 1 30 30 VAL CG1 C 13 21.550 . . 1 . . . . . . . . 4304 1 295 . 1 1 30 30 VAL CG2 C 13 20.990 . . 1 . . . . . . . . 4304 1 296 . 1 1 30 30 VAL HG21 H 1 0.980 . . 1 . . . . . . . . 4304 1 297 . 1 1 30 30 VAL HG22 H 1 0.980 . . 1 . . . . . . . . 4304 1 298 . 1 1 30 30 VAL HG23 H 1 0.980 . . 1 . . . . . . . . 4304 1 299 . 1 1 30 30 VAL HG11 H 1 0.960 . . 1 . . . . . . . . 4304 1 300 . 1 1 30 30 VAL HG12 H 1 0.960 . . 1 . . . . . . . . 4304 1 301 . 1 1 30 30 VAL HG13 H 1 0.960 . . 1 . . . . . . . . 4304 1 302 . 1 1 31 31 SER N N 15 114.960 . . 1 . . . . . . . . 4304 1 303 . 1 1 31 31 SER H H 1 7.390 . . 1 . . . . . . . . 4304 1 304 . 1 1 31 31 SER HA H 1 4.520 . . 1 . . . . . . . . 4304 1 305 . 1 1 31 31 SER CB C 13 64.970 . . 1 . . . . . . . . 4304 1 306 . 1 1 31 31 SER CA C 13 57.070 . . 1 . . . . . . . . 4304 1 307 . 1 1 31 31 SER HB2 H 1 3.790 . . 1 . . . . . . . . 4304 1 308 . 1 1 31 31 SER HB3 H 1 3.790 . . 1 . . . . . . . . 4304 1 309 . 1 1 32 32 LYS N N 15 117.860 . . 1 . . . . . . . . 4304 1 310 . 1 1 32 32 LYS H H 1 8.050 . . 1 . . . . . . . . 4304 1 311 . 1 1 32 32 LYS HA H 1 4.087 . . 1 . . . . . . . . 4304 1 312 . 1 1 32 32 LYS CA C 13 55.260 . . 1 . . . . . . . . 4304 1 313 . 1 1 32 32 LYS CB C 13 33.640 . . 1 . . . . . . . . 4304 1 314 . 1 1 32 32 LYS HB2 H 1 1.680 . . 1 . . . . . . . . 4304 1 315 . 1 1 32 32 LYS HB3 H 1 1.680 . . 1 . . . . . . . . 4304 1 316 . 1 1 32 32 LYS HG2 H 1 1.530 . . 1 . . . . . . . . 4304 1 317 . 1 1 32 32 LYS HG3 H 1 1.530 . . 1 . . . . . . . . 4304 1 318 . 1 1 33 33 PRO HA H 1 4.850 . . 1 . . . . . . . . 4304 1 319 . 1 1 33 33 PRO CA C 13 61.700 . . 1 . . . . . . . . 4304 1 320 . 1 1 33 33 PRO CD C 13 50.600 . . 1 . . . . . . . . 4304 1 321 . 1 1 33 33 PRO CB C 13 33.700 . . 1 . . . . . . . . 4304 1 322 . 1 1 33 33 PRO CG C 13 25.200 . . 1 . . . . . . . . 4304 1 323 . 1 1 33 33 PRO HD2 H 1 3.520 . . 1 . . . . . . . . 4304 1 324 . 1 1 33 33 PRO HD3 H 1 3.520 . . 1 . . . . . . . . 4304 1 325 . 1 1 33 33 PRO HB3 H 1 2.460 . . 2 . . . . . . . . 4304 1 326 . 1 1 33 33 PRO HB2 H 1 2.130 . . 2 . . . . . . . . 4304 1 327 . 1 1 33 33 PRO HG3 H 1 1.940 . . 2 . . . . . . . . 4304 1 328 . 1 1 33 33 PRO HG2 H 1 1.840 . . 2 . . . . . . . . 4304 1 329 . 1 1 34 34 PRO HA H 1 4.910 . . 1 . . . . . . . . 4304 1 330 . 1 1 34 34 PRO CA C 13 66.370 . . 1 . . . . . . . . 4304 1 331 . 1 1 34 34 PRO CB C 13 33.980 . . 1 . . . . . . . . 4304 1 332 . 1 1 34 34 PRO HD3 H 1 3.880 . . 2 . . . . . . . . 4304 1 333 . 1 1 34 34 PRO HD2 H 1 3.650 . . 2 . . . . . . . . 4304 1 334 . 1 1 34 34 PRO HB3 H 1 2.470 . . 2 . . . . . . . . 4304 1 335 . 1 1 34 34 PRO HB2 H 1 2.240 . . 2 . . . . . . . . 4304 1 336 . 1 1 35 35 VAL N N 15 118.460 . . 1 . . . . . . . . 4304 1 337 . 1 1 35 35 VAL H H 1 8.300 . . 1 . . . . . . . . 4304 1 338 . 1 1 35 35 VAL HA H 1 4.820 . . 1 . . . . . . . . 4304 1 339 . 1 1 35 35 VAL HB H 1 2.200 . . 1 . . . . . . . . 4304 1 340 . 1 1 35 35 VAL CA C 13 62.850 . . 1 . . . . . . . . 4304 1 341 . 1 1 35 35 VAL CB C 13 33.880 . . 1 . . . . . . . . 4304 1 342 . 1 1 35 35 VAL CG1 C 13 23.360 . . 1 . . . . . . . . 4304 1 343 . 1 1 35 35 VAL CG2 C 13 23.360 . . 1 . . . . . . . . 4304 1 344 . 1 1 35 35 VAL HG11 H 1 0.870 . . 1 . . . . . . . . 4304 1 345 . 1 1 35 35 VAL HG12 H 1 0.870 . . 1 . . . . . . . . 4304 1 346 . 1 1 35 35 VAL HG13 H 1 0.870 . . 1 . . . . . . . . 4304 1 347 . 1 1 35 35 VAL HG21 H 1 0.870 . . 1 . . . . . . . . 4304 1 348 . 1 1 35 35 VAL HG22 H 1 0.870 . . 1 . . . . . . . . 4304 1 349 . 1 1 35 35 VAL HG23 H 1 0.870 . . 1 . . . . . . . . 4304 1 350 . 1 1 36 36 ILE N N 15 126.680 . . 1 . . . . . . . . 4304 1 351 . 1 1 36 36 ILE H H 1 8.670 . . 1 . . . . . . . . 4304 1 352 . 1 1 36 36 ILE HA H 1 4.980 . . 1 . . . . . . . . 4304 1 353 . 1 1 36 36 ILE HB H 1 1.340 . . 1 . . . . . . . . 4304 1 354 . 1 1 36 36 ILE CA C 13 58.530 . . 1 . . . . . . . . 4304 1 355 . 1 1 36 36 ILE CB C 13 43.500 . . 1 . . . . . . . . 4304 1 356 . 1 1 36 36 ILE CG2 C 13 16.770 . . 1 . . . . . . . . 4304 1 357 . 1 1 36 36 ILE CD1 C 13 15.240 . . 1 . . . . . . . . 4304 1 358 . 1 1 36 36 ILE HD11 H 1 0.830 . . 1 . . . . . . . . 4304 1 359 . 1 1 36 36 ILE HD12 H 1 0.830 . . 1 . . . . . . . . 4304 1 360 . 1 1 36 36 ILE HD13 H 1 0.830 . . 1 . . . . . . . . 4304 1 361 . 1 1 36 36 ILE HG21 H 1 0.800 . . 1 . . . . . . . . 4304 1 362 . 1 1 36 36 ILE HG22 H 1 0.800 . . 1 . . . . . . . . 4304 1 363 . 1 1 36 36 ILE HG23 H 1 0.800 . . 1 . . . . . . . . 4304 1 364 . 1 1 37 37 ILE N N 15 125.390 . . 1 . . . . . . . . 4304 1 365 . 1 1 37 37 ILE H H 1 8.780 . . 1 . . . . . . . . 4304 1 366 . 1 1 37 37 ILE HA H 1 4.210 . . 1 . . . . . . . . 4304 1 367 . 1 1 37 37 ILE HB H 1 1.810 . . 1 . . . . . . . . 4304 1 368 . 1 1 37 37 ILE CA C 13 63.300 . . 1 . . . . . . . . 4304 1 369 . 1 1 37 37 ILE CB C 13 37.780 . . 1 . . . . . . . . 4304 1 370 . 1 1 37 37 ILE CG1 C 13 28.440 . . 1 . . . . . . . . 4304 1 371 . 1 1 37 37 ILE CG2 C 13 17.340 . . 1 . . . . . . . . 4304 1 372 . 1 1 37 37 ILE CD1 C 13 13.500 . . 1 . . . . . . . . 4304 1 373 . 1 1 37 37 ILE HD11 H 1 -0.120 . . 1 . . . . . . . . 4304 1 374 . 1 1 37 37 ILE HD12 H 1 -0.120 . . 1 . . . . . . . . 4304 1 375 . 1 1 37 37 ILE HD13 H 1 -0.120 . . 1 . . . . . . . . 4304 1 376 . 1 1 37 37 ILE HG21 H 1 0.500 . . 1 . . . . . . . . 4304 1 377 . 1 1 37 37 ILE HG22 H 1 0.500 . . 1 . . . . . . . . 4304 1 378 . 1 1 37 37 ILE HG23 H 1 0.500 . . 1 . . . . . . . . 4304 1 379 . 1 1 37 37 ILE HG12 H 1 1.390 . . 2 . . . . . . . . 4304 1 380 . 1 1 37 37 ILE HG13 H 1 0.340 . . 2 . . . . . . . . 4304 1 381 . 1 1 38 38 SER N N 15 126.830 . . 1 . . . . . . . . 4304 1 382 . 1 1 38 38 SER H H 1 9.570 . . 1 . . . . . . . . 4304 1 383 . 1 1 38 38 SER HA H 1 4.460 . . 1 . . . . . . . . 4304 1 384 . 1 1 38 38 SER CB C 13 65.320 . . 1 . . . . . . . . 4304 1 385 . 1 1 38 38 SER CA C 13 59.590 . . 1 . . . . . . . . 4304 1 386 . 1 1 38 38 SER HB2 H 1 3.760 . . 2 . . . . . . . . 4304 1 387 . 1 1 38 38 SER HB3 H 1 3.460 . . 2 . . . . . . . . 4304 1 388 . 1 1 39 39 ASP N N 15 116.560 . . 1 . . . . . . . . 4304 1 389 . 1 1 39 39 ASP H H 1 7.630 . . 1 . . . . . . . . 4304 1 390 . 1 1 39 39 ASP HA H 1 4.780 . . 1 . . . . . . . . 4304 1 391 . 1 1 39 39 ASP CA C 13 54.250 . . 1 . . . . . . . . 4304 1 392 . 1 1 39 39 ASP CB C 13 45.570 . . 1 . . . . . . . . 4304 1 393 . 1 1 39 39 ASP HB2 H 1 2.570 . . 2 . . . . . . . . 4304 1 394 . 1 1 39 39 ASP HB3 H 1 2.430 . . 2 . . . . . . . . 4304 1 395 . 1 1 40 40 LEU N N 15 120.710 . . 1 . . . . . . . . 4304 1 396 . 1 1 40 40 LEU H H 1 9.010 . . 1 . . . . . . . . 4304 1 397 . 1 1 40 40 LEU HA H 1 4.740 . . 1 . . . . . . . . 4304 1 398 . 1 1 40 40 LEU HG H 1 1.640 . . 1 . . . . . . . . 4304 1 399 . 1 1 40 40 LEU CA C 13 54.270 . . 1 . . . . . . . . 4304 1 400 . 1 1 40 40 LEU CB C 13 43.760 . . 1 . . . . . . . . 4304 1 401 . 1 1 40 40 LEU CG C 13 28.750 . . 1 . . . . . . . . 4304 1 402 . 1 1 40 40 LEU HB2 H 1 1.850 . . 2 . . . . . . . . 4304 1 403 . 1 1 40 40 LEU HB3 H 1 1.400 . . 2 . . . . . . . . 4304 1 404 . 1 1 40 40 LEU CD1 C 13 25.830 . . 1 . . . . . . . . 4304 1 405 . 1 1 40 40 LEU CD2 C 13 24.580 . . 1 . . . . . . . . 4304 1 406 . 1 1 40 40 LEU HD11 H 1 0.830 . . 1 . . . . . . . . 4304 1 407 . 1 1 40 40 LEU HD12 H 1 0.830 . . 1 . . . . . . . . 4304 1 408 . 1 1 40 40 LEU HD13 H 1 0.830 . . 1 . . . . . . . . 4304 1 409 . 1 1 40 40 LEU HD21 H 1 0.620 . . 1 . . . . . . . . 4304 1 410 . 1 1 40 40 LEU HD22 H 1 0.620 . . 1 . . . . . . . . 4304 1 411 . 1 1 40 40 LEU HD23 H 1 0.620 . . 1 . . . . . . . . 4304 1 412 . 1 1 41 41 ILE N N 15 121.870 . . 1 . . . . . . . . 4304 1 413 . 1 1 41 41 ILE H H 1 7.570 . . 1 . . . . . . . . 4304 1 414 . 1 1 41 41 ILE HA H 1 4.070 . . 1 . . . . . . . . 4304 1 415 . 1 1 41 41 ILE HB H 1 1.600 . . 1 . . . . . . . . 4304 1 416 . 1 1 41 41 ILE CA C 13 60.460 . . 1 . . . . . . . . 4304 1 417 . 1 1 41 41 ILE CB C 13 38.110 . . 1 . . . . . . . . 4304 1 418 . 1 1 41 41 ILE CG1 C 13 28.020 . . 1 . . . . . . . . 4304 1 419 . 1 1 41 41 ILE CG2 C 13 17.280 . . 1 . . . . . . . . 4304 1 420 . 1 1 41 41 ILE CD1 C 13 11.950 . . 1 . . . . . . . . 4304 1 421 . 1 1 41 41 ILE HG13 H 1 1.340 . . 2 . . . . . . . . 4304 1 422 . 1 1 41 41 ILE HG12 H 1 1.050 . . 2 . . . . . . . . 4304 1 423 . 1 1 41 41 ILE HG21 H 1 0.870 . . 1 . . . . . . . . 4304 1 424 . 1 1 41 41 ILE HG22 H 1 0.870 . . 1 . . . . . . . . 4304 1 425 . 1 1 41 41 ILE HG23 H 1 0.870 . . 1 . . . . . . . . 4304 1 426 . 1 1 41 41 ILE HD11 H 1 0.750 . . 1 . . . . . . . . 4304 1 427 . 1 1 41 41 ILE HD12 H 1 0.750 . . 1 . . . . . . . . 4304 1 428 . 1 1 41 41 ILE HD13 H 1 0.750 . . 1 . . . . . . . . 4304 1 429 . 1 1 42 42 ARG N N 15 133.010 . . 1 . . . . . . . . 4304 1 430 . 1 1 42 42 ARG H H 1 9.060 . . 1 . . . . . . . . 4304 1 431 . 1 1 42 42 ARG HA H 1 4.210 . . 1 . . . . . . . . 4304 1 432 . 1 1 42 42 ARG CA C 13 58.280 . . 1 . . . . . . . . 4304 1 433 . 1 1 42 42 ARG CD C 13 43.530 . . 1 . . . . . . . . 4304 1 434 . 1 1 42 42 ARG CB C 13 29.590 . . 1 . . . . . . . . 4304 1 435 . 1 1 42 42 ARG CG C 13 27.300 . . 1 . . . . . . . . 4304 1 436 . 1 1 42 42 ARG HD2 H 1 3.280 . . 1 . . . . . . . . 4304 1 437 . 1 1 42 42 ARG HD3 H 1 3.280 . . 1 . . . . . . . . 4304 1 438 . 1 1 42 42 ARG HB2 H 1 1.820 . . 1 . . . . . . . . 4304 1 439 . 1 1 42 42 ARG HB3 H 1 1.820 . . 1 . . . . . . . . 4304 1 440 . 1 1 42 42 ARG HG2 H 1 1.670 . . 1 . . . . . . . . 4304 1 441 . 1 1 42 42 ARG HG3 H 1 1.670 . . 1 . . . . . . . . 4304 1 442 . 1 1 43 43 GLY N N 15 116.820 . . 1 . . . . . . . . 4304 1 443 . 1 1 43 43 GLY H H 1 9.780 . . 1 . . . . . . . . 4304 1 444 . 1 1 43 43 GLY CA C 13 45.770 . . 1 . . . . . . . . 4304 1 445 . 1 1 43 43 GLY HA2 H 1 4.210 . . 2 . . . . . . . . 4304 1 446 . 1 1 43 43 GLY HA3 H 1 3.760 . . 2 . . . . . . . . 4304 1 447 . 1 1 44 44 GLY N N 15 106.870 . . 1 . . . . . . . . 4304 1 448 . 1 1 44 44 GLY H H 1 7.900 . . 1 . . . . . . . . 4304 1 449 . 1 1 44 44 GLY CA C 13 45.420 . . 1 . . . . . . . . 4304 1 450 . 1 1 44 44 GLY HA2 H 1 4.260 . . 2 . . . . . . . . 4304 1 451 . 1 1 44 44 GLY HA3 H 1 3.930 . . 2 . . . . . . . . 4304 1 452 . 1 1 45 45 ALA N N 15 121.840 . . 1 . . . . . . . . 4304 1 453 . 1 1 45 45 ALA H H 1 9.380 . . 1 . . . . . . . . 4304 1 454 . 1 1 45 45 ALA HA H 1 4.080 . . 1 . . . . . . . . 4304 1 455 . 1 1 45 45 ALA CA C 13 55.930 . . 1 . . . . . . . . 4304 1 456 . 1 1 45 45 ALA CB C 13 18.600 . . 1 . . . . . . . . 4304 1 457 . 1 1 45 45 ALA HB1 H 1 1.670 . . 1 . . . . . . . . 4304 1 458 . 1 1 45 45 ALA HB2 H 1 1.670 . . 1 . . . . . . . . 4304 1 459 . 1 1 45 45 ALA HB3 H 1 1.670 . . 1 . . . . . . . . 4304 1 460 . 1 1 46 46 ALA N N 15 120.140 . . 1 . . . . . . . . 4304 1 461 . 1 1 46 46 ALA H H 1 8.180 . . 1 . . . . . . . . 4304 1 462 . 1 1 46 46 ALA HA H 1 4.059 . . 1 . . . . . . . . 4304 1 463 . 1 1 46 46 ALA CA C 13 55.940 . . 1 . . . . . . . . 4304 1 464 . 1 1 46 46 ALA CB C 13 20.020 . . 1 . . . . . . . . 4304 1 465 . 1 1 46 46 ALA HB1 H 1 1.520 . . 1 . . . . . . . . 4304 1 466 . 1 1 46 46 ALA HB2 H 1 1.520 . . 1 . . . . . . . . 4304 1 467 . 1 1 46 46 ALA HB3 H 1 1.520 . . 1 . . . . . . . . 4304 1 468 . 1 1 47 47 GLU N N 15 125.610 . . 1 . . . . . . . . 4304 1 469 . 1 1 47 47 GLU H H 1 10.130 . . 1 . . . . . . . . 4304 1 470 . 1 1 47 47 GLU HA H 1 3.890 . . 1 . . . . . . . . 4304 1 471 . 1 1 47 47 GLU CA C 13 60.680 . . 1 . . . . . . . . 4304 1 472 . 1 1 47 47 GLU CG C 13 30.490 . . 1 . . . . . . . . 4304 1 473 . 1 1 47 47 GLU CB C 13 30.360 . . 1 . . . . . . . . 4304 1 474 . 1 1 47 47 GLU HG2 H 1 2.280 . . 1 . . . . . . . . 4304 1 475 . 1 1 47 47 GLU HG3 H 1 2.280 . . 1 . . . . . . . . 4304 1 476 . 1 1 47 47 GLU HB2 H 1 2.130 . . 1 . . . . . . . . 4304 1 477 . 1 1 47 47 GLU HB3 H 1 2.130 . . 1 . . . . . . . . 4304 1 478 . 1 1 48 48 GLN N N 15 117.710 . . 1 . . . . . . . . 4304 1 479 . 1 1 48 48 GLN H H 1 8.420 . . 1 . . . . . . . . 4304 1 480 . 1 1 48 48 GLN HA H 1 4.040 . . 1 . . . . . . . . 4304 1 481 . 1 1 48 48 GLN CA C 13 59.160 . . 1 . . . . . . . . 4304 1 482 . 1 1 48 48 GLN CG C 13 35.120 . . 1 . . . . . . . . 4304 1 483 . 1 1 48 48 GLN CB C 13 28.600 . . 1 . . . . . . . . 4304 1 484 . 1 1 48 48 GLN NE2 N 15 113.300 . . 1 . . . . . . . . 4304 1 485 . 1 1 48 48 GLN HG2 H 1 2.590 . . 2 . . . . . . . . 4304 1 486 . 1 1 48 48 GLN HG3 H 1 2.390 . . 2 . . . . . . . . 4304 1 487 . 1 1 48 48 GLN HB2 H 1 2.120 . . 1 . . . . . . . . 4304 1 488 . 1 1 48 48 GLN HB3 H 1 2.120 . . 1 . . . . . . . . 4304 1 489 . 1 1 48 48 GLN HE22 H 1 7.640 . . 2 . . . . . . . . 4304 1 490 . 1 1 48 48 GLN HE21 H 1 6.760 . . 2 . . . . . . . . 4304 1 491 . 1 1 49 49 SER N N 15 113.260 . . 1 . . . . . . . . 4304 1 492 . 1 1 49 49 SER H H 1 7.840 . . 1 . . . . . . . . 4304 1 493 . 1 1 49 49 SER HA H 1 4.260 . . 1 . . . . . . . . 4304 1 494 . 1 1 49 49 SER CB C 13 64.710 . . 1 . . . . . . . . 4304 1 495 . 1 1 49 49 SER CA C 13 61.490 . . 1 . . . . . . . . 4304 1 496 . 1 1 49 49 SER HB2 H 1 4.020 . . 1 . . . . . . . . 4304 1 497 . 1 1 49 49 SER HB3 H 1 4.020 . . 1 . . . . . . . . 4304 1 498 . 1 1 50 50 GLY N N 15 108.750 . . 1 . . . . . . . . 4304 1 499 . 1 1 50 50 GLY H H 1 7.290 . . 1 . . . . . . . . 4304 1 500 . 1 1 50 50 GLY CA C 13 46.970 . . 1 . . . . . . . . 4304 1 501 . 1 1 50 50 GLY HA2 H 1 4.210 . . 2 . . . . . . . . 4304 1 502 . 1 1 50 50 GLY HA3 H 1 4.000 . . 2 . . . . . . . . 4304 1 503 . 1 1 51 51 LEU N N 15 118.800 . . 1 . . . . . . . . 4304 1 504 . 1 1 51 51 LEU H H 1 7.950 . . 1 . . . . . . . . 4304 1 505 . 1 1 51 51 LEU HA H 1 4.310 . . 1 . . . . . . . . 4304 1 506 . 1 1 51 51 LEU HG H 1 1.720 . . 1 . . . . . . . . 4304 1 507 . 1 1 51 51 LEU CA C 13 55.240 . . 1 . . . . . . . . 4304 1 508 . 1 1 51 51 LEU CB C 13 44.600 . . 1 . . . . . . . . 4304 1 509 . 1 1 51 51 LEU CG C 13 26.690 . . 1 . . . . . . . . 4304 1 510 . 1 1 51 51 LEU HB3 H 1 1.710 . . 2 . . . . . . . . 4304 1 511 . 1 1 51 51 LEU HB2 H 1 1.460 . . 2 . . . . . . . . 4304 1 512 . 1 1 51 51 LEU CD1 C 13 26.470 . . 2 . . . . . . . . 4304 1 513 . 1 1 51 51 LEU CD2 C 13 23.440 . . 2 . . . . . . . . 4304 1 514 . 1 1 51 51 LEU HD11 H 1 0.970 . . 2 . . . . . . . . 4304 1 515 . 1 1 51 51 LEU HD12 H 1 0.970 . . 2 . . . . . . . . 4304 1 516 . 1 1 51 51 LEU HD13 H 1 0.970 . . 2 . . . . . . . . 4304 1 517 . 1 1 51 51 LEU HD21 H 1 0.670 . . 2 . . . . . . . . 4304 1 518 . 1 1 51 51 LEU HD22 H 1 0.670 . . 2 . . . . . . . . 4304 1 519 . 1 1 51 51 LEU HD23 H 1 0.670 . . 2 . . . . . . . . 4304 1 520 . 1 1 52 52 ILE N N 15 118.220 . . 1 . . . . . . . . 4304 1 521 . 1 1 52 52 ILE H H 1 7.440 . . 1 . . . . . . . . 4304 1 522 . 1 1 52 52 ILE HA H 1 3.960 . . 1 . . . . . . . . 4304 1 523 . 1 1 52 52 ILE HB H 1 1.238 . . 1 . . . . . . . . 4304 1 524 . 1 1 52 52 ILE CA C 13 60.250 . . 1 . . . . . . . . 4304 1 525 . 1 1 52 52 ILE CB C 13 40.720 . . 1 . . . . . . . . 4304 1 526 . 1 1 52 52 ILE CG1 C 13 27.840 . . 1 . . . . . . . . 4304 1 527 . 1 1 52 52 ILE CG2 C 13 18.390 . . 1 . . . . . . . . 4304 1 528 . 1 1 52 52 ILE CD1 C 13 14.430 . . 1 . . . . . . . . 4304 1 529 . 1 1 52 52 ILE HG12 H 1 1.440 . . 2 . . . . . . . . 4304 1 530 . 1 1 52 52 ILE HG13 H 1 0.930 . . 2 . . . . . . . . 4304 1 531 . 1 1 52 52 ILE HD11 H 1 0.690 . . 1 . . . . . . . . 4304 1 532 . 1 1 52 52 ILE HD12 H 1 0.690 . . 1 . . . . . . . . 4304 1 533 . 1 1 52 52 ILE HD13 H 1 0.690 . . 1 . . . . . . . . 4304 1 534 . 1 1 52 52 ILE HG21 H 1 0.540 . . 1 . . . . . . . . 4304 1 535 . 1 1 52 52 ILE HG22 H 1 0.540 . . 1 . . . . . . . . 4304 1 536 . 1 1 52 52 ILE HG23 H 1 0.540 . . 1 . . . . . . . . 4304 1 537 . 1 1 53 53 GLN N N 15 126.870 . . 1 . . . . . . . . 4304 1 538 . 1 1 53 53 GLN H H 1 8.900 . . 1 . . . . . . . . 4304 1 539 . 1 1 53 53 GLN HA H 1 4.500 . . 1 . . . . . . . . 4304 1 540 . 1 1 53 53 GLN CA C 13 54.020 . . 1 . . . . . . . . 4304 1 541 . 1 1 53 53 GLN CB C 13 32.770 . . 1 . . . . . . . . 4304 1 542 . 1 1 53 53 GLN CG C 13 32.410 . . 1 . . . . . . . . 4304 1 543 . 1 1 53 53 GLN NE2 N 15 110.100 . . 1 . . . . . . . . 4304 1 544 . 1 1 53 53 GLN HG3 H 1 2.100 . . 2 . . . . . . . . 4304 1 545 . 1 1 53 53 GLN HG2 H 1 1.920 . . 2 . . . . . . . . 4304 1 546 . 1 1 53 53 GLN HB3 H 1 1.850 . . 2 . . . . . . . . 4304 1 547 . 1 1 53 53 GLN HB2 H 1 1.670 . . 2 . . . . . . . . 4304 1 548 . 1 1 53 53 GLN HE22 H 1 7.140 . . 2 . . . . . . . . 4304 1 549 . 1 1 53 53 GLN HE21 H 1 6.320 . . 2 . . . . . . . . 4304 1 550 . 1 1 54 54 ALA N N 15 123.390 . . 1 . . . . . . . . 4304 1 551 . 1 1 54 54 ALA H H 1 8.460 . . 1 . . . . . . . . 4304 1 552 . 1 1 54 54 ALA HA H 1 3.640 . . 1 . . . . . . . . 4304 1 553 . 1 1 54 54 ALA CA C 13 54.000 . . 1 . . . . . . . . 4304 1 554 . 1 1 54 54 ALA CB C 13 18.140 . . 1 . . . . . . . . 4304 1 555 . 1 1 54 54 ALA HB1 H 1 1.190 . . 1 . . . . . . . . 4304 1 556 . 1 1 54 54 ALA HB2 H 1 1.190 . . 1 . . . . . . . . 4304 1 557 . 1 1 54 54 ALA HB3 H 1 1.190 . . 1 . . . . . . . . 4304 1 558 . 1 1 55 55 GLY N N 15 113.580 . . 1 . . . . . . . . 4304 1 559 . 1 1 55 55 GLY H H 1 9.160 . . 1 . . . . . . . . 4304 1 560 . 1 1 55 55 GLY CA C 13 44.700 . . 1 . . . . . . . . 4304 1 561 . 1 1 55 55 GLY HA2 H 1 4.400 . . 2 . . . . . . . . 4304 1 562 . 1 1 55 55 GLY HA3 H 1 3.370 . . 2 . . . . . . . . 4304 1 563 . 1 1 56 56 ASP N N 15 122.040 . . 1 . . . . . . . . 4304 1 564 . 1 1 56 56 ASP H H 1 7.590 . . 1 . . . . . . . . 4304 1 565 . 1 1 56 56 ASP HA H 1 4.720 . . 1 . . . . . . . . 4304 1 566 . 1 1 56 56 ASP CA C 13 55.790 . . 1 . . . . . . . . 4304 1 567 . 1 1 56 56 ASP CB C 13 42.330 . . 1 . . . . . . . . 4304 1 568 . 1 1 56 56 ASP HB3 H 1 2.460 . . 2 . . . . . . . . 4304 1 569 . 1 1 56 56 ASP HB2 H 1 2.100 . . 2 . . . . . . . . 4304 1 570 . 1 1 57 57 ILE N N 15 121.230 . . 1 . . . . . . . . 4304 1 571 . 1 1 57 57 ILE H H 1 8.720 . . 1 . . . . . . . . 4304 1 572 . 1 1 57 57 ILE HA H 1 4.520 . . 1 . . . . . . . . 4304 1 573 . 1 1 57 57 ILE HB H 1 1.800 . . 1 . . . . . . . . 4304 1 574 . 1 1 57 57 ILE CA C 13 60.620 . . 1 . . . . . . . . 4304 1 575 . 1 1 57 57 ILE CB C 13 41.500 . . 1 . . . . . . . . 4304 1 576 . 1 1 57 57 ILE CG1 C 13 26.900 . . 1 . . . . . . . . 4304 1 577 . 1 1 57 57 ILE CG2 C 13 18.490 . . 1 . . . . . . . . 4304 1 578 . 1 1 57 57 ILE CD1 C 13 14.340 . . 1 . . . . . . . . 4304 1 579 . 1 1 57 57 ILE HG12 H 1 1.220 . . 1 . . . . . . . . 4304 1 580 . 1 1 57 57 ILE HG13 H 1 1.220 . . 1 . . . . . . . . 4304 1 581 . 1 1 57 57 ILE HD11 H 1 0.850 . . 1 . . . . . . . . 4304 1 582 . 1 1 57 57 ILE HD12 H 1 0.850 . . 1 . . . . . . . . 4304 1 583 . 1 1 57 57 ILE HD13 H 1 0.850 . . 1 . . . . . . . . 4304 1 584 . 1 1 57 57 ILE HG21 H 1 0.810 . . 1 . . . . . . . . 4304 1 585 . 1 1 57 57 ILE HG22 H 1 0.810 . . 1 . . . . . . . . 4304 1 586 . 1 1 57 57 ILE HG23 H 1 0.810 . . 1 . . . . . . . . 4304 1 587 . 1 1 58 58 ILE N N 15 123.630 . . 1 . . . . . . . . 4304 1 588 . 1 1 58 58 ILE H H 1 7.160 . . 1 . . . . . . . . 4304 1 589 . 1 1 58 58 ILE HA H 1 4.170 . . 1 . . . . . . . . 4304 1 590 . 1 1 58 58 ILE HB H 1 1.620 . . 1 . . . . . . . . 4304 1 591 . 1 1 58 58 ILE CA C 13 62.530 . . 1 . . . . . . . . 4304 1 592 . 1 1 58 58 ILE CB C 13 38.200 . . 1 . . . . . . . . 4304 1 593 . 1 1 58 58 ILE CG2 C 13 19.740 . . 1 . . . . . . . . 4304 1 594 . 1 1 58 58 ILE CD1 C 13 14.870 . . 1 . . . . . . . . 4304 1 595 . 1 1 58 58 ILE HG21 H 1 0.770 . . 1 . . . . . . . . 4304 1 596 . 1 1 58 58 ILE HG22 H 1 0.770 . . 1 . . . . . . . . 4304 1 597 . 1 1 58 58 ILE HG23 H 1 0.770 . . 1 . . . . . . . . 4304 1 598 . 1 1 58 58 ILE HD11 H 1 0.750 . . 1 . . . . . . . . 4304 1 599 . 1 1 58 58 ILE HD12 H 1 0.750 . . 1 . . . . . . . . 4304 1 600 . 1 1 58 58 ILE HD13 H 1 0.750 . . 1 . . . . . . . . 4304 1 601 . 1 1 59 59 LEU N N 15 126.070 . . 1 . . . . . . . . 4304 1 602 . 1 1 59 59 LEU H H 1 9.300 . . 1 . . . . . . . . 4304 1 603 . 1 1 59 59 LEU HA H 1 4.370 . . 1 . . . . . . . . 4304 1 604 . 1 1 59 59 LEU HG H 1 1.640 . . 1 . . . . . . . . 4304 1 605 . 1 1 59 59 LEU CA C 13 56.150 . . 1 . . . . . . . . 4304 1 606 . 1 1 59 59 LEU CB C 13 42.900 . . 1 . . . . . . . . 4304 1 607 . 1 1 59 59 LEU CG C 13 27.200 . . 1 . . . . . . . . 4304 1 608 . 1 1 59 59 LEU HB2 H 1 1.510 . . 2 . . . . . . . . 4304 1 609 . 1 1 59 59 LEU HB3 H 1 1.420 . . 2 . . . . . . . . 4304 1 610 . 1 1 59 59 LEU CD2 C 13 26.750 . . 2 . . . . . . . . 4304 1 611 . 1 1 59 59 LEU CD1 C 13 23.300 . . 2 . . . . . . . . 4304 1 612 . 1 1 59 59 LEU HD21 H 1 0.860 . . 2 . . . . . . . . 4304 1 613 . 1 1 59 59 LEU HD22 H 1 0.860 . . 2 . . . . . . . . 4304 1 614 . 1 1 59 59 LEU HD23 H 1 0.860 . . 2 . . . . . . . . 4304 1 615 . 1 1 59 59 LEU HD11 H 1 0.750 . . 2 . . . . . . . . 4304 1 616 . 1 1 59 59 LEU HD12 H 1 0.750 . . 2 . . . . . . . . 4304 1 617 . 1 1 59 59 LEU HD13 H 1 0.750 . . 2 . . . . . . . . 4304 1 618 . 1 1 60 60 ALA N N 15 120.400 . . 1 . . . . . . . . 4304 1 619 . 1 1 60 60 ALA H H 1 7.980 . . 1 . . . . . . . . 4304 1 620 . 1 1 60 60 ALA HA H 1 4.920 . . 1 . . . . . . . . 4304 1 621 . 1 1 60 60 ALA CA C 13 52.830 . . 1 . . . . . . . . 4304 1 622 . 1 1 60 60 ALA CB C 13 22.680 . . 1 . . . . . . . . 4304 1 623 . 1 1 60 60 ALA HB1 H 1 1.180 . . 1 . . . . . . . . 4304 1 624 . 1 1 60 60 ALA HB2 H 1 1.180 . . 1 . . . . . . . . 4304 1 625 . 1 1 60 60 ALA HB3 H 1 1.180 . . 1 . . . . . . . . 4304 1 626 . 1 1 61 61 VAL N N 15 118.560 . . 1 . . . . . . . . 4304 1 627 . 1 1 61 61 VAL H H 1 8.130 . . 1 . . . . . . . . 4304 1 628 . 1 1 61 61 VAL HA H 1 4.600 . . 1 . . . . . . . . 4304 1 629 . 1 1 61 61 VAL HB H 1 1.780 . . 1 . . . . . . . . 4304 1 630 . 1 1 61 61 VAL CA C 13 60.390 . . 1 . . . . . . . . 4304 1 631 . 1 1 61 61 VAL CB C 13 34.510 . . 1 . . . . . . . . 4304 1 632 . 1 1 61 61 VAL CG1 C 13 21.460 . . 1 . . . . . . . . 4304 1 633 . 1 1 61 61 VAL CG2 C 13 21.460 . . 1 . . . . . . . . 4304 1 634 . 1 1 61 61 VAL HG11 H 1 0.810 . . 1 . . . . . . . . 4304 1 635 . 1 1 61 61 VAL HG12 H 1 0.810 . . 1 . . . . . . . . 4304 1 636 . 1 1 61 61 VAL HG13 H 1 0.810 . . 1 . . . . . . . . 4304 1 637 . 1 1 61 61 VAL HG21 H 1 0.810 . . 1 . . . . . . . . 4304 1 638 . 1 1 61 61 VAL HG22 H 1 0.810 . . 1 . . . . . . . . 4304 1 639 . 1 1 61 61 VAL HG23 H 1 0.810 . . 1 . . . . . . . . 4304 1 640 . 1 1 62 62 ASN N N 15 128.170 . . 1 . . . . . . . . 4304 1 641 . 1 1 62 62 ASN H H 1 9.900 . . 1 . . . . . . . . 4304 1 642 . 1 1 62 62 ASN HA H 1 4.300 . . 1 . . . . . . . . 4304 1 643 . 1 1 62 62 ASN CA C 13 55.300 . . 1 . . . . . . . . 4304 1 644 . 1 1 62 62 ASN CB C 13 37.240 . . 1 . . . . . . . . 4304 1 645 . 1 1 62 62 ASN ND2 N 15 113.300 . . 1 . . . . . . . . 4304 1 646 . 1 1 62 62 ASN HB2 H 1 3.050 . . 1 . . . . . . . . 4304 1 647 . 1 1 62 62 ASN HB3 H 1 3.050 . . 1 . . . . . . . . 4304 1 648 . 1 1 62 62 ASN HD22 H 1 7.800 . . 2 . . . . . . . . 4304 1 649 . 1 1 62 62 ASN HD21 H 1 7.090 . . 2 . . . . . . . . 4304 1 650 . 1 1 63 63 ASP N N 15 116.140 . . 1 . . . . . . . . 4304 1 651 . 1 1 63 63 ASP H H 1 8.880 . . 1 . . . . . . . . 4304 1 652 . 1 1 63 63 ASP HA H 1 4.350 . . 1 . . . . . . . . 4304 1 653 . 1 1 63 63 ASP CA C 13 55.470 . . 1 . . . . . . . . 4304 1 654 . 1 1 63 63 ASP CB C 13 40.520 . . 1 . . . . . . . . 4304 1 655 . 1 1 63 63 ASP HB3 H 1 2.970 . . 2 . . . . . . . . 4304 1 656 . 1 1 63 63 ASP HB2 H 1 2.770 . . 2 . . . . . . . . 4304 1 657 . 1 1 64 64 ARG N N 15 123.360 . . 1 . . . . . . . . 4304 1 658 . 1 1 64 64 ARG H H 1 8.460 . . 1 . . . . . . . . 4304 1 659 . 1 1 64 64 ARG HA H 1 4.880 . . 1 . . . . . . . . 4304 1 660 . 1 1 64 64 ARG CA C 13 53.011 . . 1 . . . . . . . . 4304 1 661 . 1 1 64 64 ARG CD C 13 44.020 . . 1 . . . . . . . . 4304 1 662 . 1 1 64 64 ARG CB C 13 31.180 . . 1 . . . . . . . . 4304 1 663 . 1 1 64 64 ARG CG C 13 27.780 . . 1 . . . . . . . . 4304 1 664 . 1 1 64 64 ARG HD2 H 1 3.130 . . 1 . . . . . . . . 4304 1 665 . 1 1 64 64 ARG HD3 H 1 3.130 . . 1 . . . . . . . . 4304 1 666 . 1 1 64 64 ARG HB2 H 1 1.840 . . 1 . . . . . . . . 4304 1 667 . 1 1 64 64 ARG HB3 H 1 1.840 . . 1 . . . . . . . . 4304 1 668 . 1 1 64 64 ARG HG2 H 1 1.700 . . 2 . . . . . . . . 4304 1 669 . 1 1 64 64 ARG HG3 H 1 1.620 . . 2 . . . . . . . . 4304 1 670 . 1 1 65 65 PRO HA H 1 4.750 . . 1 . . . . . . . . 4304 1 671 . 1 1 65 65 PRO CA C 13 62.840 . . 1 . . . . . . . . 4304 1 672 . 1 1 65 65 PRO CD C 13 51.800 . . 1 . . . . . . . . 4304 1 673 . 1 1 65 65 PRO CB C 13 33.150 . . 1 . . . . . . . . 4304 1 674 . 1 1 65 65 PRO HD3 H 1 4.140 . . 2 . . . . . . . . 4304 1 675 . 1 1 65 65 PRO HD2 H 1 3.900 . . 2 . . . . . . . . 4304 1 676 . 1 1 65 65 PRO HB3 H 1 2.450 . . 2 . . . . . . . . 4304 1 677 . 1 1 65 65 PRO HB2 H 1 2.100 . . 2 . . . . . . . . 4304 1 678 . 1 1 66 66 LEU N N 15 121.750 . . 1 . . . . . . . . 4304 1 679 . 1 1 66 66 LEU H H 1 8.750 . . 1 . . . . . . . . 4304 1 680 . 1 1 66 66 LEU HA H 1 4.600 . . 1 . . . . . . . . 4304 1 681 . 1 1 66 66 LEU HG H 1 1.570 . . 1 . . . . . . . . 4304 1 682 . 1 1 66 66 LEU CA C 13 54.320 . . 1 . . . . . . . . 4304 1 683 . 1 1 66 66 LEU CB C 13 43.200 . . 1 . . . . . . . . 4304 1 684 . 1 1 66 66 LEU CG C 13 28.570 . . 1 . . . . . . . . 4304 1 685 . 1 1 66 66 LEU HB3 H 1 1.710 . . 2 . . . . . . . . 4304 1 686 . 1 1 66 66 LEU HB2 H 1 1.460 . . 2 . . . . . . . . 4304 1 687 . 1 1 66 66 LEU CD1 C 13 25.860 . . 2 . . . . . . . . 4304 1 688 . 1 1 66 66 LEU CD2 C 13 23.660 . . 2 . . . . . . . . 4304 1 689 . 1 1 66 66 LEU HD21 H 1 0.770 . . 2 . . . . . . . . 4304 1 690 . 1 1 66 66 LEU HD22 H 1 0.770 . . 2 . . . . . . . . 4304 1 691 . 1 1 66 66 LEU HD23 H 1 0.770 . . 2 . . . . . . . . 4304 1 692 . 1 1 66 66 LEU HD11 H 1 0.760 . . 2 . . . . . . . . 4304 1 693 . 1 1 66 66 LEU HD12 H 1 0.760 . . 2 . . . . . . . . 4304 1 694 . 1 1 66 66 LEU HD13 H 1 0.760 . . 2 . . . . . . . . 4304 1 695 . 1 1 67 67 VAL N N 15 113.510 . . 1 . . . . . . . . 4304 1 696 . 1 1 67 67 VAL H H 1 7.070 . . 1 . . . . . . . . 4304 1 697 . 1 1 67 67 VAL HA H 1 3.770 . . 1 . . . . . . . . 4304 1 698 . 1 1 67 67 VAL HB H 1 2.280 . . 1 . . . . . . . . 4304 1 699 . 1 1 67 67 VAL CA C 13 66.220 . . 1 . . . . . . . . 4304 1 700 . 1 1 67 67 VAL CB C 13 32.640 . . 1 . . . . . . . . 4304 1 701 . 1 1 67 67 VAL CG1 C 13 22.260 . . 1 . . . . . . . . 4304 1 702 . 1 1 67 67 VAL CG2 C 13 21.100 . . 1 . . . . . . . . 4304 1 703 . 1 1 67 67 VAL HG11 H 1 1.080 . . 1 . . . . . . . . 4304 1 704 . 1 1 67 67 VAL HG12 H 1 1.080 . . 1 . . . . . . . . 4304 1 705 . 1 1 67 67 VAL HG13 H 1 1.080 . . 1 . . . . . . . . 4304 1 706 . 1 1 67 67 VAL HG21 H 1 1.040 . . 1 . . . . . . . . 4304 1 707 . 1 1 67 67 VAL HG22 H 1 1.040 . . 1 . . . . . . . . 4304 1 708 . 1 1 67 67 VAL HG23 H 1 1.040 . . 1 . . . . . . . . 4304 1 709 . 1 1 68 68 ASP N N 15 117.800 . . 1 . . . . . . . . 4304 1 710 . 1 1 68 68 ASP H H 1 8.560 . . 1 . . . . . . . . 4304 1 711 . 1 1 68 68 ASP HA H 1 4.940 . . 1 . . . . . . . . 4304 1 712 . 1 1 68 68 ASP CA C 13 54.260 . . 1 . . . . . . . . 4304 1 713 . 1 1 68 68 ASP CB C 13 41.940 . . 1 . . . . . . . . 4304 1 714 . 1 1 68 68 ASP HB2 H 1 2.830 . . 2 . . . . . . . . 4304 1 715 . 1 1 68 68 ASP HB3 H 1 2.450 . . 2 . . . . . . . . 4304 1 716 . 1 1 69 69 LEU N N 15 120.760 . . 1 . . . . . . . . 4304 1 717 . 1 1 69 69 LEU H H 1 7.180 . . 1 . . . . . . . . 4304 1 718 . 1 1 69 69 LEU HA H 1 4.560 . . 1 . . . . . . . . 4304 1 719 . 1 1 69 69 LEU HG H 1 1.700 . . 1 . . . . . . . . 4304 1 720 . 1 1 69 69 LEU CA C 13 54.440 . . 1 . . . . . . . . 4304 1 721 . 1 1 69 69 LEU CB C 13 44.410 . . 1 . . . . . . . . 4304 1 722 . 1 1 69 69 LEU CG C 13 27.640 . . 1 . . . . . . . . 4304 1 723 . 1 1 69 69 LEU HB2 H 1 1.670 . . 1 . . . . . . . . 4304 1 724 . 1 1 69 69 LEU HB3 H 1 1.670 . . 1 . . . . . . . . 4304 1 725 . 1 1 69 69 LEU CD1 C 13 26.470 . . 2 . . . . . . . . 4304 1 726 . 1 1 69 69 LEU CD2 C 13 23.110 . . 2 . . . . . . . . 4304 1 727 . 1 1 69 69 LEU HD21 H 1 0.820 . . 2 . . . . . . . . 4304 1 728 . 1 1 69 69 LEU HD22 H 1 0.820 . . 2 . . . . . . . . 4304 1 729 . 1 1 69 69 LEU HD23 H 1 0.820 . . 2 . . . . . . . . 4304 1 730 . 1 1 69 69 LEU HD11 H 1 0.810 . . 2 . . . . . . . . 4304 1 731 . 1 1 69 69 LEU HD12 H 1 0.810 . . 2 . . . . . . . . 4304 1 732 . 1 1 69 69 LEU HD13 H 1 0.810 . . 2 . . . . . . . . 4304 1 733 . 1 1 70 70 SER N N 15 114.390 . . 1 . . . . . . . . 4304 1 734 . 1 1 70 70 SER H H 1 8.250 . . 1 . . . . . . . . 4304 1 735 . 1 1 70 70 SER HA H 1 4.580 . . 1 . . . . . . . . 4304 1 736 . 1 1 70 70 SER CB C 13 65.310 . . 1 . . . . . . . . 4304 1 737 . 1 1 70 70 SER CA C 13 57.620 . . 1 . . . . . . . . 4304 1 738 . 1 1 70 70 SER HB2 H 1 4.400 . . 2 . . . . . . . . 4304 1 739 . 1 1 70 70 SER HB3 H 1 4.080 . . 2 . . . . . . . . 4304 1 740 . 1 1 71 71 TYR N N 15 122.870 . . 1 . . . . . . . . 4304 1 741 . 1 1 71 71 TYR H H 1 9.310 . . 1 . . . . . . . . 4304 1 742 . 1 1 71 71 TYR HA H 1 3.830 . . 1 . . . . . . . . 4304 1 743 . 1 1 71 71 TYR CA C 13 63.710 . . 1 . . . . . . . . 4304 1 744 . 1 1 71 71 TYR CB C 13 39.210 . . 1 . . . . . . . . 4304 1 745 . 1 1 71 71 TYR HD2 H 1 6.980 . . 1 . . . . . . . . 4304 1 746 . 1 1 71 71 TYR HD1 H 1 6.980 . . 1 . . . . . . . . 4304 1 747 . 1 1 71 71 TYR HE2 H 1 6.520 . . 1 . . . . . . . . 4304 1 748 . 1 1 71 71 TYR HE1 H 1 6.520 . . 1 . . . . . . . . 4304 1 749 . 1 1 71 71 TYR HB3 H 1 3.140 . . 2 . . . . . . . . 4304 1 750 . 1 1 71 71 TYR HB2 H 1 2.930 . . 2 . . . . . . . . 4304 1 751 . 1 1 72 72 ASP N N 15 116.330 . . 1 . . . . . . . . 4304 1 752 . 1 1 72 72 ASP H H 1 8.610 . . 1 . . . . . . . . 4304 1 753 . 1 1 72 72 ASP HA H 1 4.120 . . 1 . . . . . . . . 4304 1 754 . 1 1 72 72 ASP CA C 13 58.050 . . 1 . . . . . . . . 4304 1 755 . 1 1 72 72 ASP CB C 13 40.780 . . 1 . . . . . . . . 4304 1 756 . 1 1 72 72 ASP HB2 H 1 2.640 . . 2 . . . . . . . . 4304 1 757 . 1 1 72 72 ASP HB3 H 1 2.520 . . 2 . . . . . . . . 4304 1 758 . 1 1 73 73 SER N N 15 116.820 . . 1 . . . . . . . . 4304 1 759 . 1 1 73 73 SER H H 1 7.900 . . 1 . . . . . . . . 4304 1 760 . 1 1 73 73 SER HA H 1 4.260 . . 1 . . . . . . . . 4304 1 761 . 1 1 73 73 SER CB C 13 63.460 . . 1 . . . . . . . . 4304 1 762 . 1 1 73 73 SER CA C 13 62.070 . . 1 . . . . . . . . 4304 1 763 . 1 1 73 73 SER HB2 H 1 3.930 . . 1 . . . . . . . . 4304 1 764 . 1 1 73 73 SER HB3 H 1 3.930 . . 1 . . . . . . . . 4304 1 765 . 1 1 74 74 ALA N N 15 126.570 . . 1 . . . . . . . . 4304 1 766 . 1 1 74 74 ALA H H 1 8.710 . . 1 . . . . . . . . 4304 1 767 . 1 1 74 74 ALA HA H 1 3.870 . . 1 . . . . . . . . 4304 1 768 . 1 1 74 74 ALA CA C 13 55.500 . . 1 . . . . . . . . 4304 1 769 . 1 1 74 74 ALA CB C 13 19.080 . . 1 . . . . . . . . 4304 1 770 . 1 1 74 74 ALA HB1 H 1 1.340 . . 1 . . . . . . . . 4304 1 771 . 1 1 74 74 ALA HB2 H 1 1.340 . . 1 . . . . . . . . 4304 1 772 . 1 1 74 74 ALA HB3 H 1 1.340 . . 1 . . . . . . . . 4304 1 773 . 1 1 75 75 LEU N N 15 119.720 . . 1 . . . . . . . . 4304 1 774 . 1 1 75 75 LEU H H 1 8.570 . . 1 . . . . . . . . 4304 1 775 . 1 1 75 75 LEU HA H 1 3.720 . . 1 . . . . . . . . 4304 1 776 . 1 1 75 75 LEU HG H 1 1.230 . . 1 . . . . . . . . 4304 1 777 . 1 1 75 75 LEU CA C 13 57.730 . . 1 . . . . . . . . 4304 1 778 . 1 1 75 75 LEU CB C 13 41.150 . . 1 . . . . . . . . 4304 1 779 . 1 1 75 75 LEU CG C 13 27.360 . . 1 . . . . . . . . 4304 1 780 . 1 1 75 75 LEU HB2 H 1 1.430 . . 2 . . . . . . . . 4304 1 781 . 1 1 75 75 LEU HB3 H 1 1.230 . . 2 . . . . . . . . 4304 1 782 . 1 1 75 75 LEU CD1 C 13 24.500 . . 1 . . . . . . . . 4304 1 783 . 1 1 75 75 LEU CD2 C 13 24.500 . . 1 . . . . . . . . 4304 1 784 . 1 1 75 75 LEU HD11 H 1 0.530 . . 1 . . . . . . . . 4304 1 785 . 1 1 75 75 LEU HD12 H 1 0.530 . . 1 . . . . . . . . 4304 1 786 . 1 1 75 75 LEU HD13 H 1 0.530 . . 1 . . . . . . . . 4304 1 787 . 1 1 75 75 LEU HD21 H 1 0.530 . . 1 . . . . . . . . 4304 1 788 . 1 1 75 75 LEU HD22 H 1 0.530 . . 1 . . . . . . . . 4304 1 789 . 1 1 75 75 LEU HD23 H 1 0.530 . . 1 . . . . . . . . 4304 1 790 . 1 1 76 76 GLU N N 15 118.480 . . 1 . . . . . . . . 4304 1 791 . 1 1 76 76 GLU H H 1 7.420 . . 1 . . . . . . . . 4304 1 792 . 1 1 76 76 GLU HA H 1 3.930 . . 1 . . . . . . . . 4304 1 793 . 1 1 76 76 GLU CA C 13 59.810 . . 1 . . . . . . . . 4304 1 794 . 1 1 76 76 GLU CG C 13 36.620 . . 1 . . . . . . . . 4304 1 795 . 1 1 76 76 GLU CB C 13 29.640 . . 1 . . . . . . . . 4304 1 796 . 1 1 76 76 GLU HG2 H 1 2.370 . . 2 . . . . . . . . 4304 1 797 . 1 1 76 76 GLU HG3 H 1 2.290 . . 2 . . . . . . . . 4304 1 798 . 1 1 76 76 GLU HB2 H 1 2.130 . . 1 . . . . . . . . 4304 1 799 . 1 1 76 76 GLU HB3 H 1 2.130 . . 1 . . . . . . . . 4304 1 800 . 1 1 77 77 VAL N N 15 120.760 . . 1 . . . . . . . . 4304 1 801 . 1 1 77 77 VAL H H 1 7.520 . . 1 . . . . . . . . 4304 1 802 . 1 1 77 77 VAL HA H 1 3.579 . . 1 . . . . . . . . 4304 1 803 . 1 1 77 77 VAL HB H 1 2.260 . . 1 . . . . . . . . 4304 1 804 . 1 1 77 77 VAL CA C 13 66.530 . . 1 . . . . . . . . 4304 1 805 . 1 1 77 77 VAL CB C 13 31.500 . . 1 . . . . . . . . 4304 1 806 . 1 1 77 77 VAL CG1 C 13 22.580 . . 2 . . . . . . . . 4304 1 807 . 1 1 77 77 VAL CG2 C 13 21.830 . . 2 . . . . . . . . 4304 1 808 . 1 1 77 77 VAL HG11 H 1 0.950 . . 2 . . . . . . . . 4304 1 809 . 1 1 77 77 VAL HG12 H 1 0.950 . . 2 . . . . . . . . 4304 1 810 . 1 1 77 77 VAL HG13 H 1 0.950 . . 2 . . . . . . . . 4304 1 811 . 1 1 77 77 VAL HG21 H 1 0.790 . . 2 . . . . . . . . 4304 1 812 . 1 1 77 77 VAL HG22 H 1 0.790 . . 2 . . . . . . . . 4304 1 813 . 1 1 77 77 VAL HG23 H 1 0.790 . . 2 . . . . . . . . 4304 1 814 . 1 1 78 78 LEU N N 15 118.840 . . 1 . . . . . . . . 4304 1 815 . 1 1 78 78 LEU H H 1 7.800 . . 1 . . . . . . . . 4304 1 816 . 1 1 78 78 LEU HA H 1 3.810 . . 1 . . . . . . . . 4304 1 817 . 1 1 78 78 LEU HG H 1 1.240 . . 1 . . . . . . . . 4304 1 818 . 1 1 78 78 LEU CA C 13 58.420 . . 1 . . . . . . . . 4304 1 819 . 1 1 78 78 LEU CB C 13 43.150 . . 1 . . . . . . . . 4304 1 820 . 1 1 78 78 LEU HB2 H 1 1.960 . . 1 . . . . . . . . 4304 1 821 . 1 1 78 78 LEU HB3 H 1 1.960 . . 1 . . . . . . . . 4304 1 822 . 1 1 78 78 LEU CD1 C 13 26.430 . . 1 . . . . . . . . 4304 1 823 . 1 1 78 78 LEU CD2 C 13 26.430 . . 1 . . . . . . . . 4304 1 824 . 1 1 78 78 LEU HD11 H 1 0.840 . . 1 . . . . . . . . 4304 1 825 . 1 1 78 78 LEU HD12 H 1 0.840 . . 1 . . . . . . . . 4304 1 826 . 1 1 78 78 LEU HD13 H 1 0.840 . . 1 . . . . . . . . 4304 1 827 . 1 1 78 78 LEU HD21 H 1 0.840 . . 1 . . . . . . . . 4304 1 828 . 1 1 78 78 LEU HD22 H 1 0.840 . . 1 . . . . . . . . 4304 1 829 . 1 1 78 78 LEU HD23 H 1 0.840 . . 1 . . . . . . . . 4304 1 830 . 1 1 79 79 ARG N N 15 117.790 . . 1 . . . . . . . . 4304 1 831 . 1 1 79 79 ARG NE N 15 85.100 . . 1 . . . . . . . . 4304 1 832 . 1 1 79 79 ARG H H 1 8.790 . . 1 . . . . . . . . 4304 1 833 . 1 1 79 79 ARG HE H 1 6.930 . . 1 . . . . . . . . 4304 1 834 . 1 1 79 79 ARG HA H 1 4.060 . . 1 . . . . . . . . 4304 1 835 . 1 1 79 79 ARG CA C 13 59.230 . . 1 . . . . . . . . 4304 1 836 . 1 1 79 79 ARG CD C 13 44.000 . . 1 . . . . . . . . 4304 1 837 . 1 1 79 79 ARG CB C 13 31.000 . . 1 . . . . . . . . 4304 1 838 . 1 1 79 79 ARG CG C 13 29.500 . . 1 . . . . . . . . 4304 1 839 . 1 1 79 79 ARG HD2 H 1 3.090 . . 1 . . . . . . . . 4304 1 840 . 1 1 79 79 ARG HD3 H 1 3.090 . . 1 . . . . . . . . 4304 1 841 . 1 1 79 79 ARG HB2 H 1 1.800 . . 1 . . . . . . . . 4304 1 842 . 1 1 79 79 ARG HB3 H 1 1.800 . . 1 . . . . . . . . 4304 1 843 . 1 1 79 79 ARG HG3 H 1 1.790 . . 2 . . . . . . . . 4304 1 844 . 1 1 79 79 ARG HG2 H 1 1.640 . . 2 . . . . . . . . 4304 1 845 . 1 1 80 80 GLY N N 15 105.770 . . 1 . . . . . . . . 4304 1 846 . 1 1 80 80 GLY H H 1 7.670 . . 1 . . . . . . . . 4304 1 847 . 1 1 80 80 GLY CA C 13 45.840 . . 1 . . . . . . . . 4304 1 848 . 1 1 80 80 GLY HA2 H 1 3.970 . . 2 . . . . . . . . 4304 1 849 . 1 1 80 80 GLY HA3 H 1 3.690 . . 2 . . . . . . . . 4304 1 850 . 1 1 81 81 ILE N N 15 120.840 . . 1 . . . . . . . . 4304 1 851 . 1 1 81 81 ILE H H 1 6.680 . . 1 . . . . . . . . 4304 1 852 . 1 1 81 81 ILE HA H 1 3.740 . . 1 . . . . . . . . 4304 1 853 . 1 1 81 81 ILE HB H 1 1.360 . . 1 . . . . . . . . 4304 1 854 . 1 1 81 81 ILE CA C 13 61.230 . . 1 . . . . . . . . 4304 1 855 . 1 1 81 81 ILE CB C 13 38.580 . . 1 . . . . . . . . 4304 1 856 . 1 1 81 81 ILE CG1 C 13 27.630 . . 1 . . . . . . . . 4304 1 857 . 1 1 81 81 ILE CG2 C 13 18.010 . . 1 . . . . . . . . 4304 1 858 . 1 1 81 81 ILE CD1 C 13 14.120 . . 1 . . . . . . . . 4304 1 859 . 1 1 81 81 ILE HG12 H 1 1.690 . . 2 . . . . . . . . 4304 1 860 . 1 1 81 81 ILE HG13 H 1 1.290 . . 2 . . . . . . . . 4304 1 861 . 1 1 81 81 ILE HD11 H 1 0.900 . . 1 . . . . . . . . 4304 1 862 . 1 1 81 81 ILE HD12 H 1 0.900 . . 1 . . . . . . . . 4304 1 863 . 1 1 81 81 ILE HD13 H 1 0.900 . . 1 . . . . . . . . 4304 1 864 . 1 1 81 81 ILE HG21 H 1 0.810 . . 1 . . . . . . . . 4304 1 865 . 1 1 81 81 ILE HG22 H 1 0.810 . . 1 . . . . . . . . 4304 1 866 . 1 1 81 81 ILE HG23 H 1 0.810 . . 1 . . . . . . . . 4304 1 867 . 1 1 82 82 ALA N N 15 133.280 . . 1 . . . . . . . . 4304 1 868 . 1 1 82 82 ALA H H 1 8.670 . . 1 . . . . . . . . 4304 1 869 . 1 1 82 82 ALA HA H 1 4.120 . . 1 . . . . . . . . 4304 1 870 . 1 1 82 82 ALA CA C 13 53.340 . . 1 . . . . . . . . 4304 1 871 . 1 1 82 82 ALA CB C 13 19.150 . . 1 . . . . . . . . 4304 1 872 . 1 1 82 82 ALA HB1 H 1 1.360 . . 1 . . . . . . . . 4304 1 873 . 1 1 82 82 ALA HB2 H 1 1.360 . . 1 . . . . . . . . 4304 1 874 . 1 1 82 82 ALA HB3 H 1 1.360 . . 1 . . . . . . . . 4304 1 875 . 1 1 83 83 SER N N 15 116.760 . . 1 . . . . . . . . 4304 1 876 . 1 1 83 83 SER H H 1 8.420 . . 1 . . . . . . . . 4304 1 877 . 1 1 83 83 SER HA H 1 3.700 . . 1 . . . . . . . . 4304 1 878 . 1 1 83 83 SER CB C 13 64.220 . . 1 . . . . . . . . 4304 1 879 . 1 1 83 83 SER CA C 13 60.170 . . 1 . . . . . . . . 4304 1 880 . 1 1 83 83 SER HB2 H 1 3.500 . . 1 . . . . . . . . 4304 1 881 . 1 1 83 83 SER HB3 H 1 3.500 . . 1 . . . . . . . . 4304 1 882 . 1 1 84 84 GLU N N 15 116.530 . . 1 . . . . . . . . 4304 1 883 . 1 1 84 84 GLU H H 1 8.380 . . 1 . . . . . . . . 4304 1 884 . 1 1 84 84 GLU HA H 1 3.180 . . 1 . . . . . . . . 4304 1 885 . 1 1 84 84 GLU CA C 13 57.720 . . 1 . . . . . . . . 4304 1 886 . 1 1 84 84 GLU CB C 13 26.620 . . 1 . . . . . . . . 4304 1 887 . 1 1 84 84 GLU HB2 H 1 2.190 . . 2 . . . . . . . . 4304 1 888 . 1 1 84 84 GLU HB3 H 1 2.090 . . 2 . . . . . . . . 4304 1 889 . 1 1 85 85 THR N N 15 106.460 . . 1 . . . . . . . . 4304 1 890 . 1 1 85 85 THR H H 1 6.520 . . 1 . . . . . . . . 4304 1 891 . 1 1 85 85 THR HA H 1 4.520 . . 1 . . . . . . . . 4304 1 892 . 1 1 85 85 THR HB H 1 4.060 . . 1 . . . . . . . . 4304 1 893 . 1 1 85 85 THR CB C 13 73.010 . . 1 . . . . . . . . 4304 1 894 . 1 1 85 85 THR CA C 13 60.270 . . 1 . . . . . . . . 4304 1 895 . 1 1 85 85 THR CG2 C 13 22.110 . . 1 . . . . . . . . 4304 1 896 . 1 1 85 85 THR HG21 H 1 1.070 . . 1 . . . . . . . . 4304 1 897 . 1 1 85 85 THR HG22 H 1 1.070 . . 1 . . . . . . . . 4304 1 898 . 1 1 85 85 THR HG23 H 1 1.070 . . 1 . . . . . . . . 4304 1 899 . 1 1 86 86 HIS N N 15 118.380 . . 1 . . . . . . . . 4304 1 900 . 1 1 86 86 HIS H H 1 8.480 . . 1 . . . . . . . . 4304 1 901 . 1 1 86 86 HIS HA H 1 5.280 . . 1 . . . . . . . . 4304 1 902 . 1 1 86 86 HIS CA C 13 57.920 . . 1 . . . . . . . . 4304 1 903 . 1 1 86 86 HIS CB C 13 31.960 . . 1 . . . . . . . . 4304 1 904 . 1 1 86 86 HIS HD2 H 1 6.920 . . 1 . . . . . . . . 4304 1 905 . 1 1 86 86 HIS HB3 H 1 3.000 . . 2 . . . . . . . . 4304 1 906 . 1 1 86 86 HIS HB2 H 1 2.850 . . 2 . . . . . . . . 4304 1 907 . 1 1 87 87 VAL N N 15 123.450 . . 1 . . . . . . . . 4304 1 908 . 1 1 87 87 VAL H H 1 9.480 . . 1 . . . . . . . . 4304 1 909 . 1 1 87 87 VAL HA H 1 4.750 . . 1 . . . . . . . . 4304 1 910 . 1 1 87 87 VAL HB H 1 1.950 . . 1 . . . . . . . . 4304 1 911 . 1 1 87 87 VAL CA C 13 59.780 . . 1 . . . . . . . . 4304 1 912 . 1 1 87 87 VAL CB C 13 35.390 . . 1 . . . . . . . . 4304 1 913 . 1 1 87 87 VAL CG2 C 13 23.060 . . 2 . . . . . . . . 4304 1 914 . 1 1 87 87 VAL CG1 C 13 21.690 . . 2 . . . . . . . . 4304 1 915 . 1 1 87 87 VAL HG21 H 1 0.910 . . 2 . . . . . . . . 4304 1 916 . 1 1 87 87 VAL HG22 H 1 0.910 . . 2 . . . . . . . . 4304 1 917 . 1 1 87 87 VAL HG23 H 1 0.910 . . 2 . . . . . . . . 4304 1 918 . 1 1 87 87 VAL HG11 H 1 0.893 . . 2 . . . . . . . . 4304 1 919 . 1 1 87 87 VAL HG12 H 1 0.893 . . 2 . . . . . . . . 4304 1 920 . 1 1 87 87 VAL HG13 H 1 0.893 . . 2 . . . . . . . . 4304 1 921 . 1 1 88 88 VAL N N 15 125.600 . . 1 . . . . . . . . 4304 1 922 . 1 1 88 88 VAL H H 1 8.280 . . 1 . . . . . . . . 4304 1 923 . 1 1 88 88 VAL HA H 1 4.780 . . 1 . . . . . . . . 4304 1 924 . 1 1 88 88 VAL HB H 1 1.990 . . 1 . . . . . . . . 4304 1 925 . 1 1 88 88 VAL CA C 13 61.870 . . 1 . . . . . . . . 4304 1 926 . 1 1 88 88 VAL CB C 13 33.340 . . 1 . . . . . . . . 4304 1 927 . 1 1 88 88 VAL CG1 C 13 21.850 . . 2 . . . . . . . . 4304 1 928 . 1 1 88 88 VAL CG2 C 13 21.600 . . 2 . . . . . . . . 4304 1 929 . 1 1 88 88 VAL HG21 H 1 0.890 . . 2 . . . . . . . . 4304 1 930 . 1 1 88 88 VAL HG22 H 1 0.890 . . 2 . . . . . . . . 4304 1 931 . 1 1 88 88 VAL HG23 H 1 0.890 . . 2 . . . . . . . . 4304 1 932 . 1 1 88 88 VAL HG11 H 1 0.770 . . 2 . . . . . . . . 4304 1 933 . 1 1 88 88 VAL HG12 H 1 0.770 . . 2 . . . . . . . . 4304 1 934 . 1 1 88 88 VAL HG13 H 1 0.770 . . 2 . . . . . . . . 4304 1 935 . 1 1 89 89 LEU N N 15 129.410 . . 1 . . . . . . . . 4304 1 936 . 1 1 89 89 LEU H H 1 9.370 . . 1 . . . . . . . . 4304 1 937 . 1 1 89 89 LEU HA H 1 5.030 . . 1 . . . . . . . . 4304 1 938 . 1 1 89 89 LEU HG H 1 1.690 . . 1 . . . . . . . . 4304 1 939 . 1 1 89 89 LEU CA C 13 53.610 . . 1 . . . . . . . . 4304 1 940 . 1 1 89 89 LEU CB C 13 44.700 . . 1 . . . . . . . . 4304 1 941 . 1 1 89 89 LEU CG C 13 27.630 . . 1 . . . . . . . . 4304 1 942 . 1 1 89 89 LEU HB2 H 1 1.280 . . 1 . . . . . . . . 4304 1 943 . 1 1 89 89 LEU HB3 H 1 1.280 . . 1 . . . . . . . . 4304 1 944 . 1 1 89 89 LEU CD1 C 13 27.330 . . 1 . . . . . . . . 4304 1 945 . 1 1 89 89 LEU CD2 C 13 25.670 . . 1 . . . . . . . . 4304 1 946 . 1 1 89 89 LEU HD11 H 1 0.920 . . 1 . . . . . . . . 4304 1 947 . 1 1 89 89 LEU HD12 H 1 0.920 . . 1 . . . . . . . . 4304 1 948 . 1 1 89 89 LEU HD13 H 1 0.920 . . 1 . . . . . . . . 4304 1 949 . 1 1 89 89 LEU HD21 H 1 0.910 . . 1 . . . . . . . . 4304 1 950 . 1 1 89 89 LEU HD22 H 1 0.910 . . 1 . . . . . . . . 4304 1 951 . 1 1 89 89 LEU HD23 H 1 0.910 . . 1 . . . . . . . . 4304 1 952 . 1 1 90 90 ILE N N 15 122.690 . . 1 . . . . . . . . 4304 1 953 . 1 1 90 90 ILE H H 1 8.140 . . 1 . . . . . . . . 4304 1 954 . 1 1 90 90 ILE HA H 1 4.830 . . 1 . . . . . . . . 4304 1 955 . 1 1 90 90 ILE HB H 1 1.750 . . 1 . . . . . . . . 4304 1 956 . 1 1 90 90 ILE CA C 13 60.540 . . 1 . . . . . . . . 4304 1 957 . 1 1 90 90 ILE CB C 13 37.130 . . 1 . . . . . . . . 4304 1 958 . 1 1 90 90 ILE CG1 C 13 27.220 . . 1 . . . . . . . . 4304 1 959 . 1 1 90 90 ILE CG2 C 13 18.560 . . 1 . . . . . . . . 4304 1 960 . 1 1 90 90 ILE CD1 C 13 11.890 . . 1 . . . . . . . . 4304 1 961 . 1 1 90 90 ILE HG12 H 1 1.470 . . 2 . . . . . . . . 4304 1 962 . 1 1 90 90 ILE HG13 H 1 1.180 . . 2 . . . . . . . . 4304 1 963 . 1 1 90 90 ILE HG21 H 1 0.810 . . 1 . . . . . . . . 4304 1 964 . 1 1 90 90 ILE HG22 H 1 0.810 . . 1 . . . . . . . . 4304 1 965 . 1 1 90 90 ILE HG23 H 1 0.810 . . 1 . . . . . . . . 4304 1 966 . 1 1 90 90 ILE HD11 H 1 0.710 . . 1 . . . . . . . . 4304 1 967 . 1 1 90 90 ILE HD12 H 1 0.710 . . 1 . . . . . . . . 4304 1 968 . 1 1 90 90 ILE HD13 H 1 0.710 . . 1 . . . . . . . . 4304 1 969 . 1 1 91 91 LEU N N 15 127.920 . . 1 . . . . . . . . 4304 1 970 . 1 1 91 91 LEU H H 1 9.240 . . 1 . . . . . . . . 4304 1 971 . 1 1 91 91 LEU HA H 1 5.360 . . 1 . . . . . . . . 4304 1 972 . 1 1 91 91 LEU HG H 1 1.470 . . 1 . . . . . . . . 4304 1 973 . 1 1 91 91 LEU CA C 13 53.190 . . 1 . . . . . . . . 4304 1 974 . 1 1 91 91 LEU CB C 13 45.580 . . 1 . . . . . . . . 4304 1 975 . 1 1 91 91 LEU CG C 13 27.220 . . 1 . . . . . . . . 4304 1 976 . 1 1 91 91 LEU HB2 H 1 1.180 . . 1 . . . . . . . . 4304 1 977 . 1 1 91 91 LEU HB3 H 1 1.180 . . 1 . . . . . . . . 4304 1 978 . 1 1 91 91 LEU CD2 C 13 27.010 . . 2 . . . . . . . . 4304 1 979 . 1 1 91 91 LEU CD1 C 13 26.770 . . 2 . . . . . . . . 4304 1 980 . 1 1 91 91 LEU HD21 H 1 0.730 . . 2 . . . . . . . . 4304 1 981 . 1 1 91 91 LEU HD22 H 1 0.730 . . 2 . . . . . . . . 4304 1 982 . 1 1 91 91 LEU HD23 H 1 0.730 . . 2 . . . . . . . . 4304 1 983 . 1 1 91 91 LEU HD11 H 1 0.680 . . 2 . . . . . . . . 4304 1 984 . 1 1 91 91 LEU HD12 H 1 0.680 . . 2 . . . . . . . . 4304 1 985 . 1 1 91 91 LEU HD13 H 1 0.680 . . 2 . . . . . . . . 4304 1 986 . 1 1 92 92 ARG N N 15 121.820 . . 1 . . . . . . . . 4304 1 987 . 1 1 92 92 ARG NE N 15 85.700 . . 1 . . . . . . . . 4304 1 988 . 1 1 92 92 ARG H H 1 9.140 . . 1 . . . . . . . . 4304 1 989 . 1 1 92 92 ARG HE H 1 7.280 . . 1 . . . . . . . . 4304 1 990 . 1 1 92 92 ARG HA H 1 5.120 . . 1 . . . . . . . . 4304 1 991 . 1 1 92 92 ARG CA C 13 54.590 . . 1 . . . . . . . . 4304 1 992 . 1 1 92 92 ARG CD C 13 44.840 . . 1 . . . . . . . . 4304 1 993 . 1 1 92 92 ARG CB C 13 34.110 . . 1 . . . . . . . . 4304 1 994 . 1 1 92 92 ARG HD2 H 1 3.220 . . 1 . . . . . . . . 4304 1 995 . 1 1 92 92 ARG HD3 H 1 3.220 . . 1 . . . . . . . . 4304 1 996 . 1 1 93 93 GLY N N 15 111.900 . . 1 . . . . . . . . 4304 1 997 . 1 1 93 93 GLY H H 1 8.570 . . 1 . . . . . . . . 4304 1 998 . 1 1 93 93 GLY CA C 13 44.920 . . 1 . . . . . . . . 4304 1 999 . 1 1 93 93 GLY HA2 H 1 4.580 . . 2 . . . . . . . . 4304 1 1000 . 1 1 93 93 GLY HA3 H 1 3.570 . . 2 . . . . . . . . 4304 1 1001 . 1 1 94 94 PRO HA H 1 4.480 . . 1 . . . . . . . . 4304 1 1002 . 1 1 94 94 PRO CA C 13 63.100 . . 1 . . . . . . . . 4304 1 1003 . 1 1 94 94 PRO CB C 13 32.580 . . 1 . . . . . . . . 4304 1 1004 . 1 1 95 95 GLU N N 15 121.530 . . 1 . . . . . . . . 4304 1 1005 . 1 1 95 95 GLU H H 1 8.470 . . 1 . . . . . . . . 4304 1 1006 . 1 1 95 95 GLU HA H 1 4.260 . . 1 . . . . . . . . 4304 1 1007 . 1 1 95 95 GLU CA C 13 57.670 . . 1 . . . . . . . . 4304 1 1008 . 1 1 95 95 GLU CG C 13 36.830 . . 1 . . . . . . . . 4304 1 1009 . 1 1 95 95 GLU CB C 13 30.470 . . 1 . . . . . . . . 4304 1 1010 . 1 1 95 95 GLU HG2 H 1 2.370 . . 1 . . . . . . . . 4304 1 1011 . 1 1 95 95 GLU HG3 H 1 2.370 . . 1 . . . . . . . . 4304 1 1012 . 1 1 95 95 GLU HB2 H 1 1.990 . . 1 . . . . . . . . 4304 1 1013 . 1 1 95 95 GLU HB3 H 1 1.990 . . 1 . . . . . . . . 4304 1 1014 . 1 1 96 96 GLY N N 15 110.470 . . 1 . . . . . . . . 4304 1 1015 . 1 1 96 96 GLY H H 1 8.940 . . 1 . . . . . . . . 4304 1 1016 . 1 1 96 96 GLY CA C 13 45.370 . . 1 . . . . . . . . 4304 1 1017 . 1 1 96 96 GLY HA2 H 1 4.210 . . 2 . . . . . . . . 4304 1 1018 . 1 1 96 96 GLY HA3 H 1 3.560 . . 2 . . . . . . . . 4304 1 1019 . 1 1 97 97 PHE N N 15 118.340 . . 1 . . . . . . . . 4304 1 1020 . 1 1 97 97 PHE H H 1 7.670 . . 1 . . . . . . . . 4304 1 1021 . 1 1 97 97 PHE HA H 1 5.050 . . 1 . . . . . . . . 4304 1 1022 . 1 1 97 97 PHE CA C 13 56.850 . . 1 . . . . . . . . 4304 1 1023 . 1 1 97 97 PHE CB C 13 43.370 . . 1 . . . . . . . . 4304 1 1024 . 1 1 97 97 PHE HE2 H 1 7.300 . . 1 . . . . . . . . 4304 1 1025 . 1 1 97 97 PHE HE1 H 1 7.300 . . 1 . . . . . . . . 4304 1 1026 . 1 1 97 97 PHE HD2 H 1 6.850 . . 1 . . . . . . . . 4304 1 1027 . 1 1 97 97 PHE HD1 H 1 6.850 . . 1 . . . . . . . . 4304 1 1028 . 1 1 97 97 PHE HB2 H 1 2.910 . . 2 . . . . . . . . 4304 1 1029 . 1 1 97 97 PHE HB3 H 1 2.730 . . 2 . . . . . . . . 4304 1 1030 . 1 1 98 98 THR N N 15 115.580 . . 1 . . . . . . . . 4304 1 1031 . 1 1 98 98 THR H H 1 9.470 . . 1 . . . . . . . . 4304 1 1032 . 1 1 98 98 THR HA H 1 5.060 . . 1 . . . . . . . . 4304 1 1033 . 1 1 98 98 THR HB H 1 4.170 . . 1 . . . . . . . . 4304 1 1034 . 1 1 98 98 THR CB C 13 70.780 . . 1 . . . . . . . . 4304 1 1035 . 1 1 98 98 THR CA C 13 59.940 . . 1 . . . . . . . . 4304 1 1036 . 1 1 98 98 THR CG2 C 13 21.340 . . 1 . . . . . . . . 4304 1 1037 . 1 1 98 98 THR HG21 H 1 1.270 . . 1 . . . . . . . . 4304 1 1038 . 1 1 98 98 THR HG22 H 1 1.270 . . 1 . . . . . . . . 4304 1 1039 . 1 1 98 98 THR HG23 H 1 1.270 . . 1 . . . . . . . . 4304 1 1040 . 1 1 99 99 THR N N 15 122.330 . . 1 . . . . . . . . 4304 1 1041 . 1 1 99 99 THR H H 1 8.590 . . 1 . . . . . . . . 4304 1 1042 . 1 1 99 99 THR HA H 1 5.610 . . 1 . . . . . . . . 4304 1 1043 . 1 1 99 99 THR HB H 1 3.860 . . 1 . . . . . . . . 4304 1 1044 . 1 1 99 99 THR CB C 13 72.280 . . 1 . . . . . . . . 4304 1 1045 . 1 1 99 99 THR CA C 13 61.470 . . 1 . . . . . . . . 4304 1 1046 . 1 1 99 99 THR CG2 C 13 20.420 . . 1 . . . . . . . . 4304 1 1047 . 1 1 99 99 THR HG21 H 1 0.970 . . 1 . . . . . . . . 4304 1 1048 . 1 1 99 99 THR HG22 H 1 0.970 . . 1 . . . . . . . . 4304 1 1049 . 1 1 99 99 THR HG23 H 1 0.970 . . 1 . . . . . . . . 4304 1 1050 . 1 1 100 100 HIS N N 15 120.860 . . 1 . . . . . . . . 4304 1 1051 . 1 1 100 100 HIS H H 1 8.650 . . 1 . . . . . . . . 4304 1 1052 . 1 1 100 100 HIS HA H 1 4.860 . . 1 . . . . . . . . 4304 1 1053 . 1 1 100 100 HIS CA C 13 55.780 . . 1 . . . . . . . . 4304 1 1054 . 1 1 100 100 HIS CB C 13 31.960 . . 1 . . . . . . . . 4304 1 1055 . 1 1 100 100 HIS HB3 H 1 3.400 . . 2 . . . . . . . . 4304 1 1056 . 1 1 100 100 HIS HB2 H 1 3.320 . . 2 . . . . . . . . 4304 1 1057 . 1 1 101 101 LEU N N 15 119.830 . . 1 . . . . . . . . 4304 1 1058 . 1 1 101 101 LEU H H 1 8.870 . . 1 . . . . . . . . 4304 1 1059 . 1 1 101 101 LEU HA H 1 5.410 . . 1 . . . . . . . . 4304 1 1060 . 1 1 102 102 GLU N N 15 120.510 . . 1 . . . . . . . . 4304 1 1061 . 1 1 102 102 GLU H H 1 8.780 . . 1 . . . . . . . . 4304 1 1062 . 1 1 103 103 THR N N 15 121.700 . . 1 . . . . . . . . 4304 1 1063 . 1 1 103 103 THR H H 1 9.110 . . 1 . . . . . . . . 4304 1 1064 . 1 1 103 103 THR HA H 1 5.140 . . 1 . . . . . . . . 4304 1 1065 . 1 1 103 103 THR HB H 1 3.830 . . 1 . . . . . . . . 4304 1 1066 . 1 1 103 103 THR CB C 13 70.900 . . 1 . . . . . . . . 4304 1 1067 . 1 1 103 103 THR CA C 13 61.910 . . 1 . . . . . . . . 4304 1 1068 . 1 1 103 103 THR CG2 C 13 22.520 . . 1 . . . . . . . . 4304 1 1069 . 1 1 103 103 THR HG21 H 1 0.850 . . 1 . . . . . . . . 4304 1 1070 . 1 1 103 103 THR HG22 H 1 0.850 . . 1 . . . . . . . . 4304 1 1071 . 1 1 103 103 THR HG23 H 1 0.850 . . 1 . . . . . . . . 4304 1 1072 . 1 1 104 104 THR N N 15 120.850 . . 1 . . . . . . . . 4304 1 1073 . 1 1 104 104 THR H H 1 8.770 . . 1 . . . . . . . . 4304 1 1074 . 1 1 104 104 THR HA H 1 4.670 . . 1 . . . . . . . . 4304 1 1075 . 1 1 104 104 THR HB H 1 4.150 . . 1 . . . . . . . . 4304 1 1076 . 1 1 104 104 THR CB C 13 71.370 . . 1 . . . . . . . . 4304 1 1077 . 1 1 104 104 THR CA C 13 59.900 . . 1 . . . . . . . . 4304 1 1078 . 1 1 104 104 THR CG2 C 13 21.220 . . 1 . . . . . . . . 4304 1 1079 . 1 1 104 104 THR HG21 H 1 1.150 . . 1 . . . . . . . . 4304 1 1080 . 1 1 104 104 THR HG22 H 1 1.150 . . 1 . . . . . . . . 4304 1 1081 . 1 1 104 104 THR HG23 H 1 1.150 . . 1 . . . . . . . . 4304 1 1082 . 1 1 105 105 PHE N N 15 119.240 . . 1 . . . . . . . . 4304 1 1083 . 1 1 105 105 PHE H H 1 8.420 . . 1 . . . . . . . . 4304 1 1084 . 1 1 105 105 PHE HA H 1 5.275 . . 1 . . . . . . . . 4304 1 1085 . 1 1 105 105 PHE CA C 13 57.380 . . 1 . . . . . . . . 4304 1 1086 . 1 1 105 105 PHE CB C 13 42.450 . . 1 . . . . . . . . 4304 1 1087 . 1 1 105 105 PHE HE2 H 1 7.290 . . 1 . . . . . . . . 4304 1 1088 . 1 1 105 105 PHE HE1 H 1 7.290 . . 1 . . . . . . . . 4304 1 1089 . 1 1 105 105 PHE HD2 H 1 7.150 . . 1 . . . . . . . . 4304 1 1090 . 1 1 105 105 PHE HD1 H 1 7.150 . . 1 . . . . . . . . 4304 1 1091 . 1 1 105 105 PHE HB2 H 1 2.870 . . 1 . . . . . . . . 4304 1 1092 . 1 1 105 105 PHE HB3 H 1 2.870 . . 1 . . . . . . . . 4304 1 1093 . 1 1 106 106 THR N N 15 113.720 . . 1 . . . . . . . . 4304 1 1094 . 1 1 106 106 THR H H 1 8.610 . . 1 . . . . . . . . 4304 1 1095 . 1 1 106 106 THR HA H 1 4.580 . . 1 . . . . . . . . 4304 1 1096 . 1 1 106 106 THR CB C 13 70.940 . . 1 . . . . . . . . 4304 1 1097 . 1 1 106 106 THR CA C 13 61.560 . . 1 . . . . . . . . 4304 1 1098 . 1 1 106 106 THR CG2 C 13 21.750 . . 1 . . . . . . . . 4304 1 1099 . 1 1 106 106 THR HG21 H 1 1.280 . . 1 . . . . . . . . 4304 1 1100 . 1 1 106 106 THR HG22 H 1 1.280 . . 1 . . . . . . . . 4304 1 1101 . 1 1 106 106 THR HG23 H 1 1.280 . . 1 . . . . . . . . 4304 1 1102 . 1 1 107 107 GLY N N 15 108.950 . . 1 . . . . . . . . 4304 1 1103 . 1 1 107 107 GLY H H 1 8.820 . . 1 . . . . . . . . 4304 1 1104 . 1 1 107 107 GLY CA C 13 47.390 . . 1 . . . . . . . . 4304 1 1105 . 1 1 107 107 GLY HA2 H 1 4.050 . . 2 . . . . . . . . 4304 1 1106 . 1 1 107 107 GLY HA3 H 1 3.920 . . 2 . . . . . . . . 4304 1 1107 . 1 1 108 108 ASP N N 15 118.020 . . 1 . . . . . . . . 4304 1 1108 . 1 1 108 108 ASP H H 1 7.900 . . 1 . . . . . . . . 4304 1 1109 . 1 1 108 108 ASP HA H 1 4.720 . . 1 . . . . . . . . 4304 1 1110 . 1 1 108 108 ASP CA C 13 53.550 . . 1 . . . . . . . . 4304 1 1111 . 1 1 108 108 ASP CB C 13 41.040 . . 1 . . . . . . . . 4304 1 1112 . 1 1 108 108 ASP HB3 H 1 2.910 . . 2 . . . . . . . . 4304 1 1113 . 1 1 108 108 ASP HB2 H 1 2.630 . . 2 . . . . . . . . 4304 1 1114 . 1 1 109 109 GLY N N 15 108.300 . . 1 . . . . . . . . 4304 1 1115 . 1 1 109 109 GLY H H 1 8.190 . . 1 . . . . . . . . 4304 1 1116 . 1 1 109 109 GLY CA C 13 45.890 . . 1 . . . . . . . . 4304 1 1117 . 1 1 109 109 GLY HA2 H 1 4.260 . . 2 . . . . . . . . 4304 1 1118 . 1 1 109 109 GLY HA3 H 1 3.640 . . 2 . . . . . . . . 4304 1 1119 . 1 1 110 110 THR N N 15 119.090 . . 1 . . . . . . . . 4304 1 1120 . 1 1 110 110 THR H H 1 7.980 . . 1 . . . . . . . . 4304 1 1121 . 1 1 110 110 THR HA H 1 4.590 . . 1 . . . . . . . . 4304 1 1122 . 1 1 110 110 THR HB H 1 4.300 . . 1 . . . . . . . . 4304 1 1123 . 1 1 110 110 THR CB C 13 69.630 . . 1 . . . . . . . . 4304 1 1124 . 1 1 110 110 THR CA C 13 61.530 . . 1 . . . . . . . . 4304 1 1125 . 1 1 110 110 THR CG2 C 13 22.220 . . 1 . . . . . . . . 4304 1 1126 . 1 1 110 110 THR HG21 H 1 1.300 . . 1 . . . . . . . . 4304 1 1127 . 1 1 110 110 THR HG22 H 1 1.300 . . 1 . . . . . . . . 4304 1 1128 . 1 1 110 110 THR HG23 H 1 1.300 . . 1 . . . . . . . . 4304 1 1129 . 1 1 111 111 PRO HA H 1 4.600 . . 1 . . . . . . . . 4304 1 1130 . 1 1 111 111 PRO CA C 13 62.840 . . 1 . . . . . . . . 4304 1 1131 . 1 1 111 111 PRO CD C 13 51.600 . . 1 . . . . . . . . 4304 1 1132 . 1 1 111 111 PRO CB C 13 32.750 . . 1 . . . . . . . . 4304 1 1133 . 1 1 111 111 PRO HD3 H 1 4.110 . . 2 . . . . . . . . 4304 1 1134 . 1 1 111 111 PRO HD2 H 1 3.850 . . 2 . . . . . . . . 4304 1 1135 . 1 1 111 111 PRO HG2 H 1 1.850 . . 1 . . . . . . . . 4304 1 1136 . 1 1 111 111 PRO HG3 H 1 1.850 . . 1 . . . . . . . . 4304 1 1137 . 1 1 111 111 PRO HB3 H 1 2.140 . . 2 . . . . . . . . 4304 1 1138 . 1 1 111 111 PRO HB2 H 1 1.720 . . 2 . . . . . . . . 4304 1 1139 . 1 1 112 112 LYS N N 15 124.020 . . 1 . . . . . . . . 4304 1 1140 . 1 1 112 112 LYS H H 1 8.790 . . 1 . . . . . . . . 4304 1 1141 . 1 1 112 112 LYS HA H 1 4.520 . . 1 . . . . . . . . 4304 1 1142 . 1 1 112 112 LYS CA C 13 55.790 . . 1 . . . . . . . . 4304 1 1143 . 1 1 112 112 LYS CE C 13 42.780 . . 1 . . . . . . . . 4304 1 1144 . 1 1 112 112 LYS CB C 13 35.480 . . 1 . . . . . . . . 4304 1 1145 . 1 1 112 112 LYS CD C 13 29.660 . . 1 . . . . . . . . 4304 1 1146 . 1 1 112 112 LYS CG C 13 25.060 . . 1 . . . . . . . . 4304 1 1147 . 1 1 112 112 LYS HE2 H 1 2.870 . . 1 . . . . . . . . 4304 1 1148 . 1 1 112 112 LYS HE3 H 1 2.870 . . 1 . . . . . . . . 4304 1 1149 . 1 1 112 112 LYS HB2 H 1 1.580 . . 1 . . . . . . . . 4304 1 1150 . 1 1 112 112 LYS HB3 H 1 1.580 . . 1 . . . . . . . . 4304 1 1151 . 1 1 112 112 LYS HD2 H 1 1.580 . . 1 . . . . . . . . 4304 1 1152 . 1 1 112 112 LYS HD3 H 1 1.580 . . 1 . . . . . . . . 4304 1 1153 . 1 1 112 112 LYS HG3 H 1 1.310 . . 2 . . . . . . . . 4304 1 1154 . 1 1 112 112 LYS HG2 H 1 1.200 . . 2 . . . . . . . . 4304 1 1155 . 1 1 113 113 THR N N 15 124.000 . . 1 . . . . . . . . 4304 1 1156 . 1 1 113 113 THR H H 1 8.670 . . 1 . . . . . . . . 4304 1 1157 . 1 1 113 113 THR HA H 1 5.100 . . 1 . . . . . . . . 4304 1 1158 . 1 1 113 113 THR HB H 1 3.900 . . 1 . . . . . . . . 4304 1 1159 . 1 1 113 113 THR CB C 13 70.220 . . 1 . . . . . . . . 4304 1 1160 . 1 1 113 113 THR CA C 13 62.890 . . 1 . . . . . . . . 4304 1 1161 . 1 1 113 113 THR CG2 C 13 23.900 . . 1 . . . . . . . . 4304 1 1162 . 1 1 113 113 THR HG21 H 1 1.220 . . 1 . . . . . . . . 4304 1 1163 . 1 1 113 113 THR HG22 H 1 1.220 . . 1 . . . . . . . . 4304 1 1164 . 1 1 113 113 THR HG23 H 1 1.220 . . 1 . . . . . . . . 4304 1 1165 . 1 1 114 114 ILE N N 15 122.430 . . 1 . . . . . . . . 4304 1 1166 . 1 1 114 114 ILE H H 1 9.100 . . 1 . . . . . . . . 4304 1 1167 . 1 1 114 114 ILE HA H 1 4.580 . . 1 . . . . . . . . 4304 1 1168 . 1 1 114 114 ILE HB H 1 1.830 . . 1 . . . . . . . . 4304 1 1169 . 1 1 114 114 ILE CA C 13 59.480 . . 1 . . . . . . . . 4304 1 1170 . 1 1 114 114 ILE CB C 13 42.450 . . 1 . . . . . . . . 4304 1 1171 . 1 1 114 114 ILE CG1 C 13 26.830 . . 1 . . . . . . . . 4304 1 1172 . 1 1 114 114 ILE CG2 C 13 18.470 . . 1 . . . . . . . . 4304 1 1173 . 1 1 114 114 ILE CD1 C 13 14.180 . . 1 . . . . . . . . 4304 1 1174 . 1 1 114 114 ILE HG13 H 1 1.260 . . 2 . . . . . . . . 4304 1 1175 . 1 1 114 114 ILE HG12 H 1 1.020 . . 2 . . . . . . . . 4304 1 1176 . 1 1 114 114 ILE HG21 H 1 0.840 . . 1 . . . . . . . . 4304 1 1177 . 1 1 114 114 ILE HG22 H 1 0.840 . . 1 . . . . . . . . 4304 1 1178 . 1 1 114 114 ILE HG23 H 1 0.840 . . 1 . . . . . . . . 4304 1 1179 . 1 1 114 114 ILE HD11 H 1 0.750 . . 1 . . . . . . . . 4304 1 1180 . 1 1 114 114 ILE HD12 H 1 0.750 . . 1 . . . . . . . . 4304 1 1181 . 1 1 114 114 ILE HD13 H 1 0.750 . . 1 . . . . . . . . 4304 1 1182 . 1 1 115 115 ARG N N 15 123.190 . . 1 . . . . . . . . 4304 1 1183 . 1 1 115 115 ARG H H 1 8.630 . . 1 . . . . . . . . 4304 1 1184 . 1 1 115 115 ARG HA H 1 4.770 . . 1 . . . . . . . . 4304 1 1185 . 1 1 115 115 ARG CA C 13 55.160 . . 1 . . . . . . . . 4304 1 1186 . 1 1 115 115 ARG CB C 13 32.970 . . 1 . . . . . . . . 4304 1 1187 . 1 1 115 115 ARG HB2 H 1 1.790 . . 1 . . . . . . . . 4304 1 1188 . 1 1 115 115 ARG HB3 H 1 1.790 . . 1 . . . . . . . . 4304 1 1189 . 1 1 115 115 ARG HG3 H 1 1.330 . . 2 . . . . . . . . 4304 1 1190 . 1 1 115 115 ARG HG2 H 1 1.190 . . 2 . . . . . . . . 4304 1 1191 . 1 1 116 116 VAL N N 15 129.370 . . 1 . . . . . . . . 4304 1 1192 . 1 1 116 116 VAL H H 1 8.730 . . 1 . . . . . . . . 4304 1 1193 . 1 1 116 116 VAL HA H 1 4.160 . . 1 . . . . . . . . 4304 1 1194 . 1 1 116 116 VAL HB H 1 1.010 . . 1 . . . . . . . . 4304 1 1195 . 1 1 116 116 VAL CA C 13 62.090 . . 1 . . . . . . . . 4304 1 1196 . 1 1 116 116 VAL CB C 13 33.930 . . 1 . . . . . . . . 4304 1 1197 . 1 1 116 116 VAL CG1 C 13 21.450 . . 1 . . . . . . . . 4304 1 1198 . 1 1 116 116 VAL CG2 C 13 20.520 . . 1 . . . . . . . . 4304 1 1199 . 1 1 116 116 VAL HG11 H 1 0.830 . . 1 . . . . . . . . 4304 1 1200 . 1 1 116 116 VAL HG12 H 1 0.830 . . 1 . . . . . . . . 4304 1 1201 . 1 1 116 116 VAL HG13 H 1 0.830 . . 1 . . . . . . . . 4304 1 1202 . 1 1 116 116 VAL HG21 H 1 0.640 . . 1 . . . . . . . . 4304 1 1203 . 1 1 116 116 VAL HG22 H 1 0.640 . . 1 . . . . . . . . 4304 1 1204 . 1 1 116 116 VAL HG23 H 1 0.640 . . 1 . . . . . . . . 4304 1 1205 . 1 1 117 117 THR N N 15 126.680 . . 1 . . . . . . . . 4304 1 1206 . 1 1 117 117 THR H H 1 8.710 . . 1 . . . . . . . . 4304 1 1207 . 1 1 117 117 THR HA H 1 5.360 . . 1 . . . . . . . . 4304 1 1208 . 1 1 117 117 THR HB H 1 3.810 . . 1 . . . . . . . . 4304 1 1209 . 1 1 117 117 THR CB C 13 71.790 . . 1 . . . . . . . . 4304 1 1210 . 1 1 117 117 THR CA C 13 62.350 . . 1 . . . . . . . . 4304 1 1211 . 1 1 117 117 THR CG2 C 13 23.030 . . 1 . . . . . . . . 4304 1 1212 . 1 1 117 117 THR HG21 H 1 1.000 . . 1 . . . . . . . . 4304 1 1213 . 1 1 117 117 THR HG22 H 1 1.000 . . 1 . . . . . . . . 4304 1 1214 . 1 1 117 117 THR HG23 H 1 1.000 . . 1 . . . . . . . . 4304 1 1215 . 1 1 118 118 GLN N N 15 125.770 . . 1 . . . . . . . . 4304 1 1216 . 1 1 118 118 GLN H H 1 9.010 . . 1 . . . . . . . . 4304 1 1217 . 1 1 118 118 GLN HA H 1 5.214 . . 1 . . . . . . . . 4304 1 1218 . 1 1 118 118 GLN CA C 13 53.138 . . 1 . . . . . . . . 4304 1 1219 . 1 1 118 118 GLN CG C 13 34.040 . . 1 . . . . . . . . 4304 1 1220 . 1 1 118 118 GLN CB C 13 32.220 . . 1 . . . . . . . . 4304 1 1221 . 1 1 118 118 GLN NE2 N 15 112.300 . . 1 . . . . . . . . 4304 1 1222 . 1 1 118 118 GLN HG2 H 1 2.350 . . 1 . . . . . . . . 4304 1 1223 . 1 1 118 118 GLN HG3 H 1 2.350 . . 1 . . . . . . . . 4304 1 1224 . 1 1 118 118 GLN HB2 H 1 2.140 . . 2 . . . . . . . . 4304 1 1225 . 1 1 118 118 GLN HB3 H 1 1.960 . . 2 . . . . . . . . 4304 1 1226 . 1 1 118 118 GLN HE22 H 1 7.430 . . 2 . . . . . . . . 4304 1 1227 . 1 1 118 118 GLN HE21 H 1 6.870 . . 2 . . . . . . . . 4304 1 1228 . 1 1 119 119 PRO HA H 1 4.400 . . 1 . . . . . . . . 4304 1 1229 . 1 1 119 119 PRO CA C 13 63.450 . . 1 . . . . . . . . 4304 1 1230 . 1 1 119 119 PRO CD C 13 51.300 . . 1 . . . . . . . . 4304 1 1231 . 1 1 119 119 PRO CB C 13 32.380 . . 1 . . . . . . . . 4304 1 1232 . 1 1 119 119 PRO HD3 H 1 4.000 . . 2 . . . . . . . . 4304 1 1233 . 1 1 119 119 PRO HD2 H 1 3.810 . . 2 . . . . . . . . 4304 1 1234 . 1 1 119 119 PRO HG2 H 1 1.960 . . 1 . . . . . . . . 4304 1 1235 . 1 1 119 119 PRO HG3 H 1 1.960 . . 1 . . . . . . . . 4304 1 1236 . 1 1 119 119 PRO HB3 H 1 2.260 . . 2 . . . . . . . . 4304 1 1237 . 1 1 119 119 PRO HB2 H 1 1.870 . . 2 . . . . . . . . 4304 1 1238 . 1 1 120 120 LEU N N 15 123.040 . . 1 . . . . . . . . 4304 1 1239 . 1 1 120 120 LEU H H 1 7.780 . . 1 . . . . . . . . 4304 1 1240 . 1 1 120 120 LEU HA H 1 4.220 . . 1 . . . . . . . . 4304 1 1241 . 1 1 120 120 LEU HG H 1 1.290 . . 1 . . . . . . . . 4304 1 1242 . 1 1 120 120 LEU CA C 13 55.710 . . 1 . . . . . . . . 4304 1 1243 . 1 1 120 120 LEU CB C 13 43.070 . . 1 . . . . . . . . 4304 1 1244 . 1 1 120 120 LEU CG C 13 27.680 . . 1 . . . . . . . . 4304 1 1245 . 1 1 120 120 LEU HB2 H 1 1.420 . . 2 . . . . . . . . 4304 1 1246 . 1 1 120 120 LEU HB3 H 1 1.310 . . 2 . . . . . . . . 4304 1 1247 . 1 1 120 120 LEU CD2 C 13 25.510 . . 2 . . . . . . . . 4304 1 1248 . 1 1 120 120 LEU CD1 C 13 24.110 . . 2 . . . . . . . . 4304 1 1249 . 1 1 120 120 LEU HD11 H 1 0.820 . . 2 . . . . . . . . 4304 1 1250 . 1 1 120 120 LEU HD12 H 1 0.820 . . 2 . . . . . . . . 4304 1 1251 . 1 1 120 120 LEU HD13 H 1 0.820 . . 2 . . . . . . . . 4304 1 1252 . 1 1 120 120 LEU HD21 H 1 0.780 . . 2 . . . . . . . . 4304 1 1253 . 1 1 120 120 LEU HD22 H 1 0.780 . . 2 . . . . . . . . 4304 1 1254 . 1 1 120 120 LEU HD23 H 1 0.780 . . 2 . . . . . . . . 4304 1 1255 . 1 1 121 121 GLY N N 15 109.860 . . 1 . . . . . . . . 4304 1 1256 . 1 1 121 121 GLY H H 1 8.140 . . 1 . . . . . . . . 4304 1 1257 . 1 1 121 121 GLY CA C 13 44.800 . . 1 . . . . . . . . 4304 1 1258 . 1 1 121 121 GLY HA2 H 1 4.140 . . 2 . . . . . . . . 4304 1 1259 . 1 1 121 121 GLY HA3 H 1 3.950 . . 2 . . . . . . . . 4304 1 1260 . 1 1 122 122 PRO HA H 1 4.700 . . 1 . . . . . . . . 4304 1 1261 . 1 1 122 122 PRO CA C 13 61.900 . . 1 . . . . . . . . 4304 1 1262 . 1 1 122 122 PRO CD C 13 50.100 . . 1 . . . . . . . . 4304 1 1263 . 1 1 122 122 PRO CB C 13 31.500 . . 1 . . . . . . . . 4304 1 1264 . 1 1 122 122 PRO CG C 13 27.700 . . 1 . . . . . . . . 4304 1 1265 . 1 1 122 122 PRO HD2 H 1 3.580 . . 1 . . . . . . . . 4304 1 1266 . 1 1 122 122 PRO HD3 H 1 3.580 . . 1 . . . . . . . . 4304 1 1267 . 1 1 122 122 PRO HG2 H 1 2.020 . . 1 . . . . . . . . 4304 1 1268 . 1 1 122 122 PRO HG3 H 1 2.020 . . 1 . . . . . . . . 4304 1 1269 . 1 1 122 122 PRO HB2 H 1 1.930 . . 2 . . . . . . . . 4304 1 1270 . 1 1 122 122 PRO HB3 H 1 2.330 . . 2 . . . . . . . . 4304 1 1271 . 1 1 123 123 PRO HA H 1 4.506 . . 1 . . . . . . . . 4304 1 1272 . 1 1 123 123 PRO CA C 13 63.490 . . 1 . . . . . . . . 4304 1 1273 . 1 1 123 123 PRO CD C 13 50.870 . . 1 . . . . . . . . 4304 1 1274 . 1 1 123 123 PRO CB C 13 32.370 . . 1 . . . . . . . . 4304 1 1275 . 1 1 123 123 PRO CG C 13 27.920 . . 1 . . . . . . . . 4304 1 1276 . 1 1 123 123 PRO HD3 H 1 3.800 . . 2 . . . . . . . . 4304 1 1277 . 1 1 123 123 PRO HD2 H 1 3.650 . . 2 . . . . . . . . 4304 1 1278 . 1 1 123 123 PRO HG2 H 1 2.020 . . 1 . . . . . . . . 4304 1 1279 . 1 1 123 123 PRO HG3 H 1 2.020 . . 1 . . . . . . . . 4304 1 1280 . 1 1 123 123 PRO HB2 H 1 2.290 . . 2 . . . . . . . . 4304 1 1281 . 1 1 123 123 PRO HB3 H 1 1.940 . . 2 . . . . . . . . 4304 1 1282 . 1 1 124 124 THR N N 15 114.860 . . 1 . . . . . . . . 4304 1 1283 . 1 1 124 124 THR H H 1 8.100 . . 1 . . . . . . . . 4304 1 1284 . 1 1 124 124 THR HA H 1 4.320 . . 1 . . . . . . . . 4304 1 1285 . 1 1 124 124 THR HB H 1 4.170 . . 1 . . . . . . . . 4304 1 1286 . 1 1 124 124 THR CB C 13 70.470 . . 1 . . . . . . . . 4304 1 1287 . 1 1 124 124 THR CA C 13 62.060 . . 1 . . . . . . . . 4304 1 1288 . 1 1 124 124 THR CG2 C 13 22.310 . . 1 . . . . . . . . 4304 1 1289 . 1 1 124 124 THR HG21 H 1 1.200 . . 1 . . . . . . . . 4304 1 1290 . 1 1 124 124 THR HG22 H 1 1.200 . . 1 . . . . . . . . 4304 1 1291 . 1 1 124 124 THR HG23 H 1 1.200 . . 1 . . . . . . . . 4304 1 1292 . 1 1 125 125 LYS N N 15 124.050 . . 1 . . . . . . . . 4304 1 1293 . 1 1 125 125 LYS H H 1 8.240 . . 1 . . . . . . . . 4304 1 1294 . 1 1 125 125 LYS HA H 1 4.360 . . 1 . . . . . . . . 4304 1 1295 . 1 1 125 125 LYS CA C 13 56.350 . . 1 . . . . . . . . 4304 1 1296 . 1 1 125 125 LYS CE C 13 42.810 . . 1 . . . . . . . . 4304 1 1297 . 1 1 125 125 LYS CB C 13 33.950 . . 1 . . . . . . . . 4304 1 1298 . 1 1 125 125 LYS CD C 13 29.630 . . 1 . . . . . . . . 4304 1 1299 . 1 1 125 125 LYS CG C 13 25.290 . . 1 . . . . . . . . 4304 1 1300 . 1 1 125 125 LYS HE2 H 1 2.990 . . 1 . . . . . . . . 4304 1 1301 . 1 1 125 125 LYS HE3 H 1 2.990 . . 1 . . . . . . . . 4304 1 1302 . 1 1 125 125 LYS HB2 H 1 1.820 . . 2 . . . . . . . . 4304 1 1303 . 1 1 125 125 LYS HB3 H 1 1.740 . . 2 . . . . . . . . 4304 1 1304 . 1 1 125 125 LYS HD2 H 1 1.570 . . 1 . . . . . . . . 4304 1 1305 . 1 1 125 125 LYS HD3 H 1 1.570 . . 1 . . . . . . . . 4304 1 1306 . 1 1 125 125 LYS HG2 H 1 1.400 . . 1 . . . . . . . . 4304 1 1307 . 1 1 125 125 LYS HG3 H 1 1.400 . . 1 . . . . . . . . 4304 1 1308 . 1 1 126 126 ALA N N 15 127.290 . . 1 . . . . . . . . 4304 1 1309 . 1 1 126 126 ALA H H 1 8.350 . . 1 . . . . . . . . 4304 1 1310 . 1 1 126 126 ALA HA H 1 4.390 . . 1 . . . . . . . . 4304 1 1311 . 1 1 126 126 ALA CA C 13 52.960 . . 1 . . . . . . . . 4304 1 1312 . 1 1 126 126 ALA CB C 13 19.700 . . 1 . . . . . . . . 4304 1 1313 . 1 1 126 126 ALA HB1 H 1 1.360 . . 1 . . . . . . . . 4304 1 1314 . 1 1 126 126 ALA HB2 H 1 1.360 . . 1 . . . . . . . . 4304 1 1315 . 1 1 126 126 ALA HB3 H 1 1.360 . . 1 . . . . . . . . 4304 1 1316 . 1 1 127 127 VAL N N 15 123.610 . . 1 . . . . . . . . 4304 1 1317 . 1 1 127 127 VAL H H 1 7.690 . . 1 . . . . . . . . 4304 1 1318 . 1 1 127 127 VAL HA H 1 4.040 . . 1 . . . . . . . . 4304 1 1319 . 1 1 127 127 VAL HB H 1 2.060 . . 1 . . . . . . . . 4304 1 1320 . 1 1 127 127 VAL CA C 13 63.860 . . 1 . . . . . . . . 4304 1 1321 . 1 1 127 127 VAL CB C 13 33.940 . . 1 . . . . . . . . 4304 1 1322 . 1 1 127 127 VAL CG2 C 13 22.170 . . 2 . . . . . . . . 4304 1 1323 . 1 1 127 127 VAL CG1 C 13 20.620 . . 2 . . . . . . . . 4304 1 1324 . 1 1 127 127 VAL HG21 H 1 0.890 . . 2 . . . . . . . . 4304 1 1325 . 1 1 127 127 VAL HG22 H 1 0.890 . . 2 . . . . . . . . 4304 1 1326 . 1 1 127 127 VAL HG23 H 1 0.890 . . 2 . . . . . . . . 4304 1 1327 . 1 1 127 127 VAL HG11 H 1 0.870 . . 2 . . . . . . . . 4304 1 1328 . 1 1 127 127 VAL HG12 H 1 0.870 . . 2 . . . . . . . . 4304 1 1329 . 1 1 127 127 VAL HG13 H 1 0.870 . . 2 . . . . . . . . 4304 1 stop_ save_ save_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_2 _Assigned_chem_shift_list.Entry_ID 4304 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 4304 2 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 . 2 2 1 1 VAL HA H 1 3.900 . . 1 . . . . . . . . 4304 2 2 . 2 2 1 1 VAL HB H 1 2.280 . . 1 . . . . . . . . 4304 2 3 . 2 2 1 1 VAL HG11 H 1 1.060 . . 1 . . . . . . . . 4304 2 4 . 2 2 1 1 VAL HG12 H 1 1.060 . . 1 . . . . . . . . 4304 2 5 . 2 2 1 1 VAL HG13 H 1 1.060 . . 1 . . . . . . . . 4304 2 6 . 2 2 1 1 VAL HG21 H 1 1.060 . . 1 . . . . . . . . 4304 2 7 . 2 2 1 1 VAL HG22 H 1 1.060 . . 1 . . . . . . . . 4304 2 8 . 2 2 1 1 VAL HG23 H 1 1.060 . . 1 . . . . . . . . 4304 2 9 . 2 2 2 2 VAL HA H 1 4.210 . . 1 . . . . . . . . 4304 2 10 . 2 2 2 2 VAL HB H 1 2.080 . . 1 . . . . . . . . 4304 2 11 . 2 2 2 2 VAL HG11 H 1 0.990 . . 1 . . . . . . . . 4304 2 12 . 2 2 2 2 VAL HG12 H 1 0.990 . . 1 . . . . . . . . 4304 2 13 . 2 2 2 2 VAL HG13 H 1 0.990 . . 1 . . . . . . . . 4304 2 14 . 2 2 2 2 VAL HG21 H 1 0.990 . . 1 . . . . . . . . 4304 2 15 . 2 2 2 2 VAL HG22 H 1 0.990 . . 1 . . . . . . . . 4304 2 16 . 2 2 2 2 VAL HG23 H 1 0.990 . . 1 . . . . . . . . 4304 2 17 . 2 2 3 3 LYS HA H 1 4.410 . . 1 . . . . . . . . 4304 2 18 . 2 2 3 3 LYS HE2 H 1 3.050 . . 1 . . . . . . . . 4304 2 19 . 2 2 3 3 LYS HE3 H 1 3.050 . . 1 . . . . . . . . 4304 2 20 . 2 2 3 3 LYS HB2 H 1 1.870 . . 1 . . . . . . . . 4304 2 21 . 2 2 3 3 LYS HB3 H 1 1.870 . . 1 . . . . . . . . 4304 2 22 . 2 2 3 3 LYS HD2 H 1 1.720 . . 1 . . . . . . . . 4304 2 23 . 2 2 3 3 LYS HD3 H 1 1.720 . . 1 . . . . . . . . 4304 2 24 . 2 2 3 3 LYS HG2 H 1 1.450 . . 1 . . . . . . . . 4304 2 25 . 2 2 3 3 LYS HG3 H 1 1.450 . . 1 . . . . . . . . 4304 2 26 . 2 2 4 4 VAL HA H 1 4.210 . . 1 . . . . . . . . 4304 2 27 . 2 2 4 4 VAL HB H 1 2.080 . . 1 . . . . . . . . 4304 2 28 . 2 2 4 4 VAL HG11 H 1 0.990 . . 1 . . . . . . . . 4304 2 29 . 2 2 4 4 VAL HG12 H 1 0.990 . . 1 . . . . . . . . 4304 2 30 . 2 2 4 4 VAL HG13 H 1 0.990 . . 1 . . . . . . . . 4304 2 31 . 2 2 4 4 VAL HG21 H 1 0.990 . . 1 . . . . . . . . 4304 2 32 . 2 2 4 4 VAL HG22 H 1 0.990 . . 1 . . . . . . . . 4304 2 33 . 2 2 4 4 VAL HG23 H 1 0.990 . . 1 . . . . . . . . 4304 2 34 . 2 2 5 5 ASP HA H 1 4.880 . . 1 . . . . . . . . 4304 2 35 . 2 2 5 5 ASP HB2 H 1 2.630 . . 1 . . . . . . . . 4304 2 36 . 2 2 5 5 ASP HB3 H 1 2.630 . . 1 . . . . . . . . 4304 2 37 . 2 2 6 6 SER HA H 1 4.690 . . 1 . . . . . . . . 4304 2 38 . 2 2 6 6 SER HB2 H 1 3.880 . . 1 . . . . . . . . 4304 2 39 . 2 2 6 6 SER HB3 H 1 3.880 . . 1 . . . . . . . . 4304 2 40 . 2 2 7 7 VAL HA H 1 4.170 . . 1 . . . . . . . . 4304 2 41 . 2 2 7 7 VAL HB H 1 2.030 . . 1 . . . . . . . . 4304 2 42 . 2 2 7 7 VAL HG11 H 1 0.880 . . 1 . . . . . . . . 4304 2 43 . 2 2 7 7 VAL HG12 H 1 0.880 . . 1 . . . . . . . . 4304 2 44 . 2 2 7 7 VAL HG13 H 1 0.880 . . 1 . . . . . . . . 4304 2 45 . 2 2 7 7 VAL HG21 H 1 0.880 . . 1 . . . . . . . . 4304 2 46 . 2 2 7 7 VAL HG22 H 1 0.880 . . 1 . . . . . . . . 4304 2 47 . 2 2 7 7 VAL HG23 H 1 0.880 . . 1 . . . . . . . . 4304 2 stop_ save_