data_15601 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15601 _Entry.Title ; Chemical shift assignments for Atra-PBP1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-12-18 _Entry.Accession_date 2007-12-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 James Ames . . . 15601 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15601 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 409 15601 '15N chemical shifts' 135 15601 '1H chemical shifts' 521 15601 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 4 . . 2010-04-15 2007-12-18 update BMRB 'added related PDB ID' 15601 3 . . 2009-08-13 2007-12-18 update BMRB 'added PubMed ID' 15601 2 . . 2008-12-02 2007-12-18 update BMRB 'complete entry citation' 15601 1 . . 2008-06-05 2007-12-18 original author 'original release' 15601 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KPH 'BMRB Entry Tracking System' 15601 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15601 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636880 _Citation.Full_citation . _Citation.Title '1H, 15N, and 13C Chemical shift assignments of the navel orange worm pheromone-binding protein-1 (Atra-PBP1)' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR Assignments' _Citation.Journal_volume 2 _Citation.Journal_issue 2 _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 105 _Citation.Page_last 106 _Citation.Year 2008 _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 Xianzhong Xu . . . 15601 1 2 Yun Li . . . 15601 1 3 Josep Rayo . . . 15601 1 4 Yuko Ishida . . . 15601 1 5 Walter Leal . . . 15601 1 6 James Ames . B. . 15601 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15601 _Assembly.ID 1 _Assembly.Name Atra-PBP1 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'subunit 1' 1 $Atra-PBP1 A . yes native no no . . . 15601 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Atra-PBP1 _Entity.Sf_category entity _Entity.Sf_framecode Atra-PBP1 _Entity.Entry_ID 15601 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Atra-PBP1 _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 ; SPEIMKDLSINFGKALDTCK KELDLPDSINEDFYKFWKED YEITNRLTGCAIKCLSEKLE MVDADGKLHHGNAREFAMKH GADDAMAKQLVDLIHGCEKS IPPNDDRCMEVLSIAMCFKK EIHNLKWAPNMEVVVGEVLA EV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 142 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 2015-11-26 loop_ _Entity_db_link.Ordinal _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 1 no PDB 2KPH . "Nmr Structure Of Atrapbp1 At Ph 4.5" . . . . . 100.00 142 100.00 100.00 1.44e-98 . . . . 15601 1 2 no PDB 4INW . "Structure Of Pheromone-binding Protein 1 In Complex With (11z,13z)- Hexadecadienal" . . . . . 98.59 140 100.00 100.00 3.39e-97 . . . . 15601 1 3 no PDB 4INX . "Structure Of Pheromone-binding Protein 1 In Complex With (z,z)-11,13- Hexadecadienol" . . . . . 98.59 140 100.00 100.00 3.39e-97 . . . . 15601 1 4 no GB ACX47890 . "pheromone-binding protein 1 [Amyelois transitella]" . . . . . 100.00 164 100.00 100.00 4.18e-99 . . . . 15601 1 5 no REF NP_001299593 . "pheromone-binding protein-like precursor [Amyelois transitella]" . . . . . 100.00 164 100.00 100.00 4.18e-99 . . . . 15601 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 . SER . 15601 1 2 . PRO . 15601 1 3 . GLU . 15601 1 4 . ILE . 15601 1 5 . MET . 15601 1 6 . LYS . 15601 1 7 . ASP . 15601 1 8 . LEU . 15601 1 9 . SER . 15601 1 10 . ILE . 15601 1 11 . ASN . 15601 1 12 . PHE . 15601 1 13 . GLY . 15601 1 14 . LYS . 15601 1 15 . ALA . 15601 1 16 . LEU . 15601 1 17 . ASP . 15601 1 18 . THR . 15601 1 19 . CYS . 15601 1 20 . LYS . 15601 1 21 . LYS . 15601 1 22 . GLU . 15601 1 23 . LEU . 15601 1 24 . ASP . 15601 1 25 . LEU . 15601 1 26 . PRO . 15601 1 27 . ASP . 15601 1 28 . SER . 15601 1 29 . ILE . 15601 1 30 . ASN . 15601 1 31 . GLU . 15601 1 32 . ASP . 15601 1 33 . PHE . 15601 1 34 . TYR . 15601 1 35 . LYS . 15601 1 36 . PHE . 15601 1 37 . TRP . 15601 1 38 . LYS . 15601 1 39 . GLU . 15601 1 40 . ASP . 15601 1 41 . TYR . 15601 1 42 . GLU . 15601 1 43 . ILE . 15601 1 44 . THR . 15601 1 45 . ASN . 15601 1 46 . ARG . 15601 1 47 . LEU . 15601 1 48 . THR . 15601 1 49 . GLY . 15601 1 50 . CYS . 15601 1 51 . ALA . 15601 1 52 . ILE . 15601 1 53 . LYS . 15601 1 54 . CYS . 15601 1 55 . LEU . 15601 1 56 . SER . 15601 1 57 . GLU . 15601 1 58 . LYS . 15601 1 59 . LEU . 15601 1 60 . GLU . 15601 1 61 . MET . 15601 1 62 . VAL . 15601 1 63 . ASP . 15601 1 64 . ALA . 15601 1 65 . ASP . 15601 1 66 . GLY . 15601 1 67 . LYS . 15601 1 68 . LEU . 15601 1 69 . HIS . 15601 1 70 . HIS . 15601 1 71 . GLY . 15601 1 72 . ASN . 15601 1 73 . ALA . 15601 1 74 . ARG . 15601 1 75 . GLU . 15601 1 76 . PHE . 15601 1 77 . ALA . 15601 1 78 . MET . 15601 1 79 . LYS . 15601 1 80 . HIS . 15601 1 81 . GLY . 15601 1 82 . ALA . 15601 1 83 . ASP . 15601 1 84 . ASP . 15601 1 85 . ALA . 15601 1 86 . MET . 15601 1 87 . ALA . 15601 1 88 . LYS . 15601 1 89 . GLN . 15601 1 90 . LEU . 15601 1 91 . VAL . 15601 1 92 . ASP . 15601 1 93 . LEU . 15601 1 94 . ILE . 15601 1 95 . HIS . 15601 1 96 . GLY . 15601 1 97 . CYS . 15601 1 98 . GLU . 15601 1 99 . LYS . 15601 1 100 . SER . 15601 1 101 . ILE . 15601 1 102 . PRO . 15601 1 103 . PRO . 15601 1 104 . ASN . 15601 1 105 . ASP . 15601 1 106 . ASP . 15601 1 107 . ARG . 15601 1 108 . CYS . 15601 1 109 . MET . 15601 1 110 . GLU . 15601 1 111 . VAL . 15601 1 112 . LEU . 15601 1 113 . SER . 15601 1 114 . ILE . 15601 1 115 . ALA . 15601 1 116 . MET . 15601 1 117 . CYS . 15601 1 118 . PHE . 15601 1 119 . LYS . 15601 1 120 . LYS . 15601 1 121 . GLU . 15601 1 122 . ILE . 15601 1 123 . HIS . 15601 1 124 . ASN . 15601 1 125 . LEU . 15601 1 126 . LYS . 15601 1 127 . TRP . 15601 1 128 . ALA . 15601 1 129 . PRO . 15601 1 130 . ASN . 15601 1 131 . MET . 15601 1 132 . GLU . 15601 1 133 . VAL . 15601 1 134 . VAL . 15601 1 135 . VAL . 15601 1 136 . GLY . 15601 1 137 . GLU . 15601 1 138 . VAL . 15601 1 139 . LEU . 15601 1 140 . ALA . 15601 1 141 . GLU . 15601 1 142 . VAL . 15601 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 . SER 1 1 15601 1 . PRO 2 2 15601 1 . GLU 3 3 15601 1 . ILE 4 4 15601 1 . MET 5 5 15601 1 . LYS 6 6 15601 1 . ASP 7 7 15601 1 . LEU 8 8 15601 1 . SER 9 9 15601 1 . ILE 10 10 15601 1 . ASN 11 11 15601 1 . PHE 12 12 15601 1 . GLY 13 13 15601 1 . LYS 14 14 15601 1 . ALA 15 15 15601 1 . LEU 16 16 15601 1 . ASP 17 17 15601 1 . THR 18 18 15601 1 . CYS 19 19 15601 1 . LYS 20 20 15601 1 . LYS 21 21 15601 1 . GLU 22 22 15601 1 . LEU 23 23 15601 1 . ASP 24 24 15601 1 . LEU 25 25 15601 1 . PRO 26 26 15601 1 . ASP 27 27 15601 1 . SER 28 28 15601 1 . ILE 29 29 15601 1 . ASN 30 30 15601 1 . GLU 31 31 15601 1 . ASP 32 32 15601 1 . PHE 33 33 15601 1 . TYR 34 34 15601 1 . LYS 35 35 15601 1 . PHE 36 36 15601 1 . TRP 37 37 15601 1 . LYS 38 38 15601 1 . GLU 39 39 15601 1 . ASP 40 40 15601 1 . TYR 41 41 15601 1 . GLU 42 42 15601 1 . ILE 43 43 15601 1 . THR 44 44 15601 1 . ASN 45 45 15601 1 . ARG 46 46 15601 1 . LEU 47 47 15601 1 . THR 48 48 15601 1 . GLY 49 49 15601 1 . CYS 50 50 15601 1 . ALA 51 51 15601 1 . ILE 52 52 15601 1 . LYS 53 53 15601 1 . CYS 54 54 15601 1 . LEU 55 55 15601 1 . SER 56 56 15601 1 . GLU 57 57 15601 1 . LYS 58 58 15601 1 . LEU 59 59 15601 1 . GLU 60 60 15601 1 . MET 61 61 15601 1 . VAL 62 62 15601 1 . ASP 63 63 15601 1 . ALA 64 64 15601 1 . ASP 65 65 15601 1 . GLY 66 66 15601 1 . LYS 67 67 15601 1 . LEU 68 68 15601 1 . HIS 69 69 15601 1 . HIS 70 70 15601 1 . GLY 71 71 15601 1 . ASN 72 72 15601 1 . ALA 73 73 15601 1 . ARG 74 74 15601 1 . GLU 75 75 15601 1 . PHE 76 76 15601 1 . ALA 77 77 15601 1 . MET 78 78 15601 1 . LYS 79 79 15601 1 . HIS 80 80 15601 1 . GLY 81 81 15601 1 . ALA 82 82 15601 1 . ASP 83 83 15601 1 . ASP 84 84 15601 1 . ALA 85 85 15601 1 . MET 86 86 15601 1 . ALA 87 87 15601 1 . LYS 88 88 15601 1 . GLN 89 89 15601 1 . LEU 90 90 15601 1 . VAL 91 91 15601 1 . ASP 92 92 15601 1 . LEU 93 93 15601 1 . ILE 94 94 15601 1 . HIS 95 95 15601 1 . GLY 96 96 15601 1 . CYS 97 97 15601 1 . GLU 98 98 15601 1 . LYS 99 99 15601 1 . SER 100 100 15601 1 . ILE 101 101 15601 1 . PRO 102 102 15601 1 . PRO 103 103 15601 1 . ASN 104 104 15601 1 . ASP 105 105 15601 1 . ASP 106 106 15601 1 . ARG 107 107 15601 1 . CYS 108 108 15601 1 . MET 109 109 15601 1 . GLU 110 110 15601 1 . VAL 111 111 15601 1 . LEU 112 112 15601 1 . SER 113 113 15601 1 . ILE 114 114 15601 1 . ALA 115 115 15601 1 . MET 116 116 15601 1 . CYS 117 117 15601 1 . PHE 118 118 15601 1 . LYS 119 119 15601 1 . LYS 120 120 15601 1 . GLU 121 121 15601 1 . ILE 122 122 15601 1 . HIS 123 123 15601 1 . ASN 124 124 15601 1 . LEU 125 125 15601 1 . LYS 126 126 15601 1 . TRP 127 127 15601 1 . ALA 128 128 15601 1 . PRO 129 129 15601 1 . ASN 130 130 15601 1 . MET 131 131 15601 1 . GLU 132 132 15601 1 . VAL 133 133 15601 1 . VAL 134 134 15601 1 . VAL 135 135 15601 1 . GLY 136 136 15601 1 . GLU 137 137 15601 1 . VAL 138 138 15601 1 . LEU 139 139 15601 1 . ALA 140 140 15601 1 . GLU 141 141 15601 1 . VAL 142 142 15601 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15601 _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 $Atra-PBP1 . 7120 organism . 'Antheraea Polyphemus' 'polyphemus moth' . . Eukaryota Metazoa Antheraea Polyphemus . . . . . . . . . . . . . . . . . . . . . 15601 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 15601 _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 $Atra-PBP1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET15b . . . . . . 15601 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15601 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Atra-PBP1 '[U-100% 13C; U-100% 15N]' . . 1 $Atra-PBP1 . . 1 . . mM . . . . 15601 1 2 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 15601 1 3 H2O . . . . . . . 95 . . % . . . . 15601 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15601 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 15601 1 pH 4.5 . pH 15601 1 pressure 1 . atm 15601 1 temperature 298 . K 15601 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15601 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15601 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15601 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15601 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15601 _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 spectrometer_1 Bruker DRX . 600 . . . 15601 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 15601 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15601 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15601 1 3 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15601 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15601 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15601 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15601 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15601 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15601 _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 external indirect . . . . . . . . . . 15601 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.0 . . . . . . . . . 15601 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect . . . . . . . . . . 15601 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15601 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 '3D HNCO' . . . 15601 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER H H 1 7.963 0.02 . 1 . . . . 1 S H . 15601 1 2 . 1 1 1 1 SER HA H 1 4.260 0.02 . 1 . . . . 1 S HA . 15601 1 3 . 1 1 1 1 SER CA C 13 53.374 0.1 . 1 . . . . 1 S CA . 15601 1 4 . 1 1 1 1 SER CB C 13 68.304 0.1 . 1 . . . . 1 S CB . 15601 1 5 . 1 1 1 1 SER N N 15 115.958 0.1 . 1 . . . . 1 S N . 15601 1 6 . 1 1 2 2 PRO HA H 1 4.436 0.02 . 1 . . . . 2 P HA . 15601 1 7 . 1 1 2 2 PRO HB2 H 1 1.835 0.02 . 2 . . . . 2 P HB2 . 15601 1 8 . 1 1 2 2 PRO HB3 H 1 2.283 0.02 . 2 . . . . 2 P HB3 . 15601 1 9 . 1 1 2 2 PRO C C 13 176.530 0.1 . 1 . . . . 2 P CO . 15601 1 10 . 1 1 2 2 PRO CA C 13 63.564 0.1 . 1 . . . . 2 P CA . 15601 1 11 . 1 1 2 2 PRO CB C 13 32.081 0.1 . 1 . . . . 2 P CB . 15601 1 12 . 1 1 3 3 GLU H H 1 8.583 0.02 . 1 . . . . 3 E H . 15601 1 13 . 1 1 3 3 GLU HA H 1 4.240 0.02 . 1 . . . . 3 E HA . 15601 1 14 . 1 1 3 3 GLU HB2 H 1 1.938 0.02 . 2 . . . . 3 E HB2 . 15601 1 15 . 1 1 3 3 GLU HB3 H 1 2.280 0.02 . 2 . . . . 3 E HB3 . 15601 1 16 . 1 1 3 3 GLU C C 13 176.473 0.1 . 1 . . . . 3 E CO . 15601 1 17 . 1 1 3 3 GLU CA C 13 56.635 0.1 . 1 . . . . 3 E CA . 15601 1 18 . 1 1 3 3 GLU CB C 13 29.911 0.1 . 1 . . . . 3 E CB . 15601 1 19 . 1 1 3 3 GLU N N 15 122.122 0.1 . 1 . . . . 3 E N . 15601 1 20 . 1 1 4 4 ILE H H 1 8.167 0.02 . 1 . . . . 4 I H . 15601 1 21 . 1 1 4 4 ILE HA H 1 4.053 0.02 . 1 . . . . 4 I HA . 15601 1 22 . 1 1 4 4 ILE HB H 1 1.815 0.02 . 1 . . . . 4 I HB . 15601 1 23 . 1 1 4 4 ILE HG21 H 1 0.864 0.02 . 1 . . . . 4 I HG2 . 15601 1 24 . 1 1 4 4 ILE HG22 H 1 0.864 0.02 . 1 . . . . 4 I HG2 . 15601 1 25 . 1 1 4 4 ILE HG23 H 1 0.864 0.02 . 1 . . . . 4 I HG2 . 15601 1 26 . 1 1 4 4 ILE C C 13 176.324 0.1 . 1 . . . . 4 I CO . 15601 1 27 . 1 1 4 4 ILE CA C 13 61.823 0.1 . 1 . . . . 4 I CA . 15601 1 28 . 1 1 4 4 ILE CB C 13 38.629 0.1 . 1 . . . . 4 I CB . 15601 1 29 . 1 1 4 4 ILE N N 15 122.007 0.1 . 1 . . . . 4 I N . 15601 1 30 . 1 1 5 5 MET H H 1 8.317 0.02 . 1 . . . . 5 M H . 15601 1 31 . 1 1 5 5 MET HA H 1 4.256 0.02 . 1 . . . . 5 M HA . 15601 1 32 . 1 1 5 5 MET HB2 H 1 2.010 0.02 . 2 . . . . 5 M HB2 . 15601 1 33 . 1 1 5 5 MET HB3 H 1 2.433 0.02 . 2 . . . . 5 M HB3 . 15601 1 34 . 1 1 5 5 MET C C 13 176.509 0.1 . 1 . . . . 5 M CO . 15601 1 35 . 1 1 5 5 MET CA C 13 55.927 0.1 . 1 . . . . 5 M CA . 15601 1 36 . 1 1 5 5 MET CB C 13 32.275 0.1 . 1 . . . . 5 M CB . 15601 1 37 . 1 1 5 5 MET N N 15 122.502 0.1 . 1 . . . . 5 M N . 15601 1 38 . 1 1 6 6 LYS H H 1 8.121 0.02 . 1 . . . . 6 K H . 15601 1 39 . 1 1 6 6 LYS HA H 1 4.139 0.02 . 1 . . . . 6 K HA . 15601 1 40 . 1 1 6 6 LYS HB2 H 1 1.770 0.02 . 2 . . . . 6 K HB2 . 15601 1 41 . 1 1 6 6 LYS C C 13 176.670 0.1 . 1 . . . . 6 K CO . 15601 1 42 . 1 1 6 6 LYS CA C 13 57.463 0.1 . 1 . . . . 6 K CA . 15601 1 43 . 1 1 6 6 LYS CB C 13 32.787 0.1 . 1 . . . . 6 K CB . 15601 1 44 . 1 1 6 6 LYS N N 15 122.045 0.1 . 1 . . . . 6 K N . 15601 1 45 . 1 1 7 7 ASP H H 1 8.260 0.02 . 1 . . . . 7 D H . 15601 1 46 . 1 1 7 7 ASP HA H 1 4.505 0.02 . 1 . . . . 7 D HA . 15601 1 47 . 1 1 7 7 ASP HB2 H 1 2.387 0.02 . 2 . . . . 7 D HB2 . 15601 1 48 . 1 1 7 7 ASP HB3 H 1 2.713 0.02 . 2 . . . . 7 D HB3 . 15601 1 49 . 1 1 7 7 ASP C C 13 176.984 0.1 . 1 . . . . 7 D CO . 15601 1 50 . 1 1 7 7 ASP CA C 13 55.200 0.1 . 1 . . . . 7 D CA . 15601 1 51 . 1 1 7 7 ASP CB C 13 40.798 0.1 . 1 . . . . 7 D CB . 15601 1 52 . 1 1 7 7 ASP N N 15 119.283 0.1 . 1 . . . . 7 D N . 15601 1 53 . 1 1 8 8 LEU H H 1 8.192 0.02 . 1 . . . . 8 L H . 15601 1 54 . 1 1 8 8 LEU HA H 1 4.466 0.02 . 1 . . . . 8 L HA . 15601 1 55 . 1 1 8 8 LEU HB2 H 1 1.609 0.02 . 2 . . . . 8 L HB2 . 15601 1 56 . 1 1 8 8 LEU HB3 H 1 1.815 0.02 . 2 . . . . 8 L HB3 . 15601 1 57 . 1 1 8 8 LEU C C 13 177.658 0.1 . 1 . . . . 8 L CO . 15601 1 58 . 1 1 8 8 LEU CA C 13 55.885 0.1 . 1 . . . . 8 L CA . 15601 1 59 . 1 1 8 8 LEU CB C 13 42.972 0.1 . 1 . . . . 8 L CB . 15601 1 60 . 1 1 8 8 LEU N N 15 121.160 0.1 . 1 . . . . 8 L N . 15601 1 61 . 1 1 9 9 SER H H 1 8.353 0.02 . 1 . . . . 9 S H . 15601 1 62 . 1 1 9 9 SER HA H 1 4.405 0.02 . 1 . . . . 9 S HA . 15601 1 63 . 1 1 9 9 SER HB2 H 1 3.887 0.02 . 2 . . . . 9 S HB2 . 15601 1 64 . 1 1 9 9 SER C C 13 176.749 0.1 . 1 . . . . 9 S CO . 15601 1 65 . 1 1 9 9 SER CA C 13 60.264 0.1 . 1 . . . . 9 S CA . 15601 1 66 . 1 1 9 9 SER CB C 13 63.544 0.1 . 1 . . . . 9 S CB . 15601 1 67 . 1 1 9 9 SER N N 15 116.064 0.1 . 1 . . . . 9 S N . 15601 1 68 . 1 1 10 10 ILE H H 1 7.980 0.02 . 1 . . . . 10 I H . 15601 1 69 . 1 1 10 10 ILE HA H 1 3.932 0.02 . 1 . . . . 10 I HA . 15601 1 70 . 1 1 10 10 ILE CA C 13 63.542 0.1 . 1 . . . . 10 I CA . 15601 1 71 . 1 1 10 10 ILE CB C 13 39.546 0.1 . 1 . . . . 10 I CB . 15601 1 72 . 1 1 10 10 ILE N N 15 122.205 0.1 . 1 . . . . 10 I N . 15601 1 73 . 1 1 11 11 ASN HA H 1 4.657 0.02 . 1 . . . . 11 N HA . 15601 1 74 . 1 1 11 11 ASN HB2 H 1 2.427 0.02 . 2 . . . . 11 N HB2 . 15601 1 75 . 1 1 11 11 ASN C C 13 176.431 0.1 . 1 . . . . 11 N CO . 15601 1 76 . 1 1 11 11 ASN CA C 13 54.999 0.1 . 1 . . . . 11 N CA . 15601 1 77 . 1 1 11 11 ASN CB C 13 38.985 0.1 . 1 . . . . 11 N CB . 15601 1 78 . 1 1 12 12 PHE H H 1 8.238 0.02 . 1 . . . . 12 F H . 15601 1 79 . 1 1 12 12 PHE HA H 1 4.451 0.02 . 1 . . . . 12 F HA . 15601 1 80 . 1 1 12 12 PHE HB2 H 1 3.095 0.02 . 2 . . . . 12 F HB2 . 15601 1 81 . 1 1 12 12 PHE C C 13 176.271 0.1 . 1 . . . . 12 F CO . 15601 1 82 . 1 1 12 12 PHE CA C 13 59.781 0.1 . 1 . . . . 12 F CA . 15601 1 83 . 1 1 12 12 PHE CB C 13 39.581 0.1 . 1 . . . . 12 F CB . 15601 1 84 . 1 1 12 12 PHE N N 15 116.731 0.1 . 1 . . . . 12 F N . 15601 1 85 . 1 1 13 13 GLY H H 1 8.224 0.02 . 1 . . . . 13 G H . 15601 1 86 . 1 1 13 13 GLY HA2 H 1 4.072 0.02 . 2 . . . . 13 G HA2 . 15601 1 87 . 1 1 13 13 GLY HA3 H 1 3.738 0.02 . 2 . . . . 13 G HA3 . 15601 1 88 . 1 1 13 13 GLY C C 13 175.410 0.1 . 1 . . . . 13 G CO . 15601 1 89 . 1 1 13 13 GLY CA C 13 48.344 0.1 . 1 . . . . 13 G CA . 15601 1 90 . 1 1 13 13 GLY N N 15 107.733 0.1 . 1 . . . . 13 G N . 15601 1 91 . 1 1 14 14 LYS H H 1 8.235 0.02 . 1 . . . . 14 K H . 15601 1 92 . 1 1 14 14 LYS HA H 1 4.149 0.02 . 1 . . . . 14 K HA . 15601 1 93 . 1 1 14 14 LYS HB2 H 1 1.825 0.02 . 2 . . . . 14 K HB2 . 15601 1 94 . 1 1 14 14 LYS C C 13 179.993 0.1 . 1 . . . . 14 K CO . 15601 1 95 . 1 1 14 14 LYS CA C 13 59.443 0.1 . 1 . . . . 14 K CA . 15601 1 96 . 1 1 14 14 LYS CB C 13 31.988 0.1 . 1 . . . . 14 K CB . 15601 1 97 . 1 1 14 14 LYS N N 15 122.079 0.1 . 1 . . . . 14 K N . 15601 1 98 . 1 1 15 15 ALA H H 1 8.291 0.02 . 1 . . . . 15 A H . 15601 1 99 . 1 1 15 15 ALA HA H 1 4.062 0.02 . 1 . . . . 15 A HA . 15601 1 100 . 1 1 15 15 ALA HB1 H 1 1.204 0.02 . 1 . . . . 15 A HB . 15601 1 101 . 1 1 15 15 ALA HB2 H 1 1.204 0.02 . 1 . . . . 15 A HB . 15601 1 102 . 1 1 15 15 ALA HB3 H 1 1.204 0.02 . 1 . . . . 15 A HB . 15601 1 103 . 1 1 15 15 ALA C C 13 179.193 0.1 . 1 . . . . 15 A CO . 15601 1 104 . 1 1 15 15 ALA CA C 13 55.090 0.1 . 1 . . . . 15 A CA . 15601 1 105 . 1 1 15 15 ALA CB C 13 19.053 0.1 . 1 . . . . 15 A CB . 15601 1 106 . 1 1 15 15 ALA N N 15 123.741 0.1 . 1 . . . . 15 A N . 15601 1 107 . 1 1 16 16 LEU H H 1 8.451 0.02 . 1 . . . . 16 L H . 15601 1 108 . 1 1 16 16 LEU HA H 1 3.556 0.02 . 1 . . . . 16 L HA . 15601 1 109 . 1 1 16 16 LEU HB2 H 1 1.489 0.02 . 2 . . . . 16 L HB2 . 15601 1 110 . 1 1 16 16 LEU C C 13 178.370 0.1 . 1 . . . . 16 L CO . 15601 1 111 . 1 1 16 16 LEU CA C 13 58.514 0.1 . 1 . . . . 16 L CA . 15601 1 112 . 1 1 16 16 LEU CB C 13 41.293 0.1 . 1 . . . . 16 L CB . 15601 1 113 . 1 1 16 16 LEU N N 15 120.060 0.1 . 1 . . . . 16 L N . 15601 1 114 . 1 1 17 17 ASP H H 1 8.399 0.02 . 1 . . . . 17 D H . 15601 1 115 . 1 1 17 17 ASP HA H 1 4.359 0.02 . 1 . . . . 17 D HA . 15601 1 116 . 1 1 17 17 ASP HB2 H 1 2.625 0.02 . 2 . . . . 17 D HB2 . 15601 1 117 . 1 1 17 17 ASP HB3 H 1 2.816 0.02 . 2 . . . . 17 D HB3 . 15601 1 118 . 1 1 17 17 ASP C C 13 179.238 0.1 . 1 . . . . 17 D CO . 15601 1 119 . 1 1 17 17 ASP CA C 13 57.649 0.1 . 1 . . . . 17 D CA . 15601 1 120 . 1 1 17 17 ASP CB C 13 40.205 0.1 . 1 . . . . 17 D CB . 15601 1 121 . 1 1 17 17 ASP N N 15 119.989 0.1 . 1 . . . . 17 D N . 15601 1 122 . 1 1 18 18 THR H H 1 7.907 0.02 . 1 . . . . 18 T H . 15601 1 123 . 1 1 18 18 THR HA H 1 4.234 0.02 . 1 . . . . 18 T HA . 15601 1 124 . 1 1 18 18 THR HB H 1 3.947 0.02 . 1 . . . . 18 T HB . 15601 1 125 . 1 1 18 18 THR C C 13 176.601 0.1 . 1 . . . . 18 T CO . 15601 1 126 . 1 1 18 18 THR CA C 13 67.176 0.1 . 1 . . . . 18 T CA . 15601 1 127 . 1 1 18 18 THR CB C 13 68.297 0.1 . 1 . . . . 18 T CB . 15601 1 128 . 1 1 18 18 THR N N 15 117.699 0.1 . 1 . . . . 18 T N . 15601 1 129 . 1 1 19 19 CYS H H 1 8.272 0.02 . 1 . . . . 19 C H . 15601 1 130 . 1 1 19 19 CYS HA H 1 4.145 0.1 . 1 . . . . 19 C HA . 15601 1 131 . 1 1 19 19 CYS HB2 H 1 2.474 0.02 . 2 . . . . 19 C HB2 . 15601 1 132 . 1 1 19 19 CYS HB3 H 1 3.210 0.02 . 2 . . . . 19 C HB3 . 15601 1 133 . 1 1 19 19 CYS C C 13 175.432 0.1 . 1 . . . . 19 C CO . 15601 1 134 . 1 1 19 19 CYS CA C 13 60.816 0.1 . 1 . . . . 19 C CA . 15601 1 135 . 1 1 19 19 CYS CB C 13 42.601 0.1 . 1 . . . . 19 C CB . 15601 1 136 . 1 1 19 19 CYS N N 15 120.623 0.1 . 1 . . . . 19 C N . 15601 1 137 . 1 1 20 20 LYS H H 1 8.932 0.02 . 1 . . . . 20 K H . 15601 1 138 . 1 1 20 20 LYS HA H 1 3.708 0.02 . 1 . . . . 20 K HA . 15601 1 139 . 1 1 20 20 LYS HB2 H 1 1.796 0.02 . 2 . . . . 20 K HB2 . 15601 1 140 . 1 1 20 20 LYS HB3 H 1 2.040 0.02 . 2 . . . . 20 K HB3 . 15601 1 141 . 1 1 20 20 LYS C C 13 178.221 0.1 . 1 . . . . 20 K CO . 15601 1 142 . 1 1 20 20 LYS CA C 13 60.377 0.1 . 1 . . . . 20 K CA . 15601 1 143 . 1 1 20 20 LYS CB C 13 31.946 0.1 . 1 . . . . 20 K CB . 15601 1 144 . 1 1 20 20 LYS N N 15 120.901 0.1 . 1 . . . . 20 K N . 15601 1 145 . 1 1 21 21 LYS H H 1 7.364 0.02 . 1 . . . . 21 K H . 15601 1 146 . 1 1 21 21 LYS HA H 1 4.196 0.02 . 1 . . . . 21 K HA . 15601 1 147 . 1 1 21 21 LYS HB2 H 1 1.942 0.02 . 2 . . . . 21 K HB2 . 15601 1 148 . 1 1 21 21 LYS HB3 H 1 1.496 0.02 . 2 . . . . 21 K HB3 . 15601 1 149 . 1 1 21 21 LYS C C 13 179.187 0.1 . 1 . . . . 21 K CO . 15601 1 150 . 1 1 21 21 LYS CA C 13 58.569 0.1 . 1 . . . . 21 K CA . 15601 1 151 . 1 1 21 21 LYS CB C 13 32.458 0.1 . 1 . . . . 21 K CB . 15601 1 152 . 1 1 21 21 LYS N N 15 117.421 0.1 . 1 . . . . 21 K N . 15601 1 153 . 1 1 22 22 GLU H H 1 8.277 0.02 . 1 . . . . 22 E H . 15601 1 154 . 1 1 22 22 GLU HA H 1 3.956 0.02 . 1 . . . . 22 E HA . 15601 1 155 . 1 1 22 22 GLU HB2 H 1 1.950 0.02 . 2 . . . . 22 E HB2 . 15601 1 156 . 1 1 22 22 GLU HB3 H 1 2.129 0.02 . 2 . . . . 22 E HB3 . 15601 1 157 . 1 1 22 22 GLU C C 13 178.320 0.1 . 1 . . . . 22 E CO . 15601 1 158 . 1 1 22 22 GLU CA C 13 59.248 0.1 . 1 . . . . 22 E CA . 15601 1 159 . 1 1 22 22 GLU CB C 13 30.494 0.1 . 1 . . . . 22 E CB . 15601 1 160 . 1 1 22 22 GLU N N 15 118.837 0.1 . 1 . . . . 22 E N . 15601 1 161 . 1 1 23 23 LEU H H 1 7.997 0.02 . 1 . . . . 23 L H . 15601 1 162 . 1 1 23 23 LEU HA H 1 4.406 0.02 . 1 . . . . 23 L HA . 15601 1 163 . 1 1 23 23 LEU HB2 H 1 1.591 0.02 . 2 . . . . 23 L HB2 . 15601 1 164 . 1 1 23 23 LEU C C 13 175.954 0.1 . 1 . . . . 23 L CO . 15601 1 165 . 1 1 23 23 LEU CA C 13 54.209 0.1 . 1 . . . . 23 L CA . 15601 1 166 . 1 1 23 23 LEU CB C 13 42.450 0.1 . 1 . . . . 23 L CB . 15601 1 167 . 1 1 23 23 LEU N N 15 114.726 0.1 . 1 . . . . 23 L N . 15601 1 168 . 1 1 24 24 ASP H H 1 7.648 0.02 . 1 . . . . 24 D H . 15601 1 169 . 1 1 24 24 ASP HA H 1 4.415 0.02 . 1 . . . . 24 D HA . 15601 1 170 . 1 1 24 24 ASP HB2 H 1 2.559 0.02 . 2 . . . . 24 D HB2 . 15601 1 171 . 1 1 24 24 ASP HB3 H 1 3.131 0.02 . 2 . . . . 24 D HB3 . 15601 1 172 . 1 1 24 24 ASP C C 13 175.680 0.1 . 1 . . . . 24 D CO . 15601 1 173 . 1 1 24 24 ASP CA C 13 54.673 0.1 . 1 . . . . 24 D CA . 15601 1 174 . 1 1 24 24 ASP CB C 13 37.756 0.1 . 1 . . . . 24 D CB . 15601 1 175 . 1 1 24 24 ASP N N 15 119.571 0.1 . 1 . . . . 24 D N . 15601 1 176 . 1 1 25 25 LEU H H 1 8.049 0.02 . 1 . . . . 25 L H . 15601 1 177 . 1 1 25 25 LEU HA H 1 4.524 0.02 . 1 . . . . 25 L HA . 15601 1 178 . 1 1 25 25 LEU HB2 H 1 1.373 0.02 . 2 . . . . 25 L HB2 . 15601 1 179 . 1 1 25 25 LEU HB3 H 1 1.622 0.02 . 2 . . . . 25 L HB3 . 15601 1 180 . 1 1 25 25 LEU CA C 13 52.840 0.1 . 1 . . . . 25 L CA . 15601 1 181 . 1 1 25 25 LEU CB C 13 40.810 0.1 . 1 . . . . 25 L CB . 15601 1 182 . 1 1 25 25 LEU N N 15 116.737 0.1 . 1 . . . . 25 L N . 15601 1 183 . 1 1 26 26 PRO HA H 1 4.479 0.02 . 1 . . . . 26 P HA . 15601 1 184 . 1 1 26 26 PRO HB2 H 1 1.978 0.02 . 2 . . . . 26 P HB2 . 15601 1 185 . 1 1 26 26 PRO HB3 H 1 2.332 0.02 . 2 . . . . 26 P HB3 . 15601 1 186 . 1 1 26 26 PRO C C 13 176.890 0.1 . 1 . . . . 26 P CO . 15601 1 187 . 1 1 26 26 PRO CA C 13 62.442 0.1 . 1 . . . . 26 P CA . 15601 1 188 . 1 1 26 26 PRO CB C 13 32.423 0.1 . 1 . . . . 26 P CB . 15601 1 189 . 1 1 27 27 ASP H H 1 8.707 0.02 . 1 . . . . 27 D H . 15601 1 190 . 1 1 27 27 ASP HA H 1 4.232 0.02 . 1 . . . . 27 D HA . 15601 1 191 . 1 1 27 27 ASP HB2 H 1 2.660 0.02 . 2 . . . . 27 D HB2 . 15601 1 192 . 1 1 27 27 ASP C C 13 177.306 0.1 . 1 . . . . 27 D CO . 15601 1 193 . 1 1 27 27 ASP CA C 13 57.163 0.1 . 1 . . . . 27 D CA . 15601 1 194 . 1 1 27 27 ASP CB C 13 40.539 0.1 . 1 . . . . 27 D CB . 15601 1 195 . 1 1 27 27 ASP N N 15 119.568 0.1 . 1 . . . . 27 D N . 15601 1 196 . 1 1 28 28 SER H H 1 7.718 0.02 . 1 . . . . 28 S H . 15601 1 197 . 1 1 28 28 SER HA H 1 4.293 0.02 . 1 . . . . 28 S HA . 15601 1 198 . 1 1 28 28 SER HB2 H 1 3.742 0.02 . 2 . . . . 28 S HB2 . 15601 1 199 . 1 1 28 28 SER C C 13 175.586 0.1 . 1 . . . . 28 S CO . 15601 1 200 . 1 1 28 28 SER CA C 13 59.149 0.1 . 1 . . . . 28 S CA . 15601 1 201 . 1 1 28 28 SER CB C 13 63.117 0.1 . 1 . . . . 28 S CB . 15601 1 202 . 1 1 28 28 SER N N 15 110.657 0.1 . 1 . . . . 28 S N . 15601 1 203 . 1 1 29 29 ILE H H 1 7.950 0.02 . 1 . . . . 29 I H . 15601 1 204 . 1 1 29 29 ILE HA H 1 4.226 0.02 . 1 . . . . 29 I HA . 15601 1 205 . 1 1 29 29 ILE HB H 1 1.903 0.02 . 1 . . . . 29 I HB . 15601 1 206 . 1 1 29 29 ILE C C 13 175.561 0.1 . 1 . . . . 29 I CO . 15601 1 207 . 1 1 29 29 ILE CA C 13 61.022 0.1 . 1 . . . . 29 I CA . 15601 1 208 . 1 1 29 29 ILE CB C 13 38.163 0.1 . 1 . . . . 29 I CB . 15601 1 209 . 1 1 29 29 ILE N N 15 122.155 0.1 . 1 . . . . 29 I N . 15601 1 210 . 1 1 30 30 ASN H H 1 7.955 0.02 . 1 . . . . 30 N H . 15601 1 211 . 1 1 30 30 ASN HA H 1 4.111 0.02 . 1 . . . . 30 N HA . 15601 1 212 . 1 1 30 30 ASN HB2 H 1 2.880 0.02 . 2 . . . . 30 N HB2 . 15601 1 213 . 1 1 30 30 ASN C C 13 175.809 0.1 . 1 . . . . 30 N CO . 15601 1 214 . 1 1 30 30 ASN CA C 13 57.540 0.1 . 1 . . . . 30 N CA . 15601 1 215 . 1 1 30 30 ASN CB C 13 36.996 0.1 . 1 . . . . 30 N CB . 15601 1 216 . 1 1 30 30 ASN N N 15 119.631 0.1 . 1 . . . . 30 N N . 15601 1 217 . 1 1 31 31 GLU H H 1 7.869 0.02 . 1 . . . . 31 E H . 15601 1 218 . 1 1 31 31 GLU HA H 1 4.252 0.02 . 1 . . . . 31 E HA . 15601 1 219 . 1 1 31 31 GLU HB2 H 1 2.117 0.02 . 2 . . . . 31 E HB2 . 15601 1 220 . 1 1 31 31 GLU HB3 H 1 2.380 0.02 . 2 . . . . 31 E HB3 . 15601 1 221 . 1 1 31 31 GLU C C 13 178.880 0.1 . 1 . . . . 31 E CO . 15601 1 222 . 1 1 31 31 GLU CA C 13 59.099 0.1 . 1 . . . . 31 E CA . 15601 1 223 . 1 1 31 31 GLU CB C 13 29.373 0.1 . 1 . . . . 31 E CB . 15601 1 224 . 1 1 31 31 GLU N N 15 117.624 0.1 . 1 . . . . 31 E N . 15601 1 225 . 1 1 32 32 ASP H H 1 8.376 0.02 . 1 . . . . 32 D H . 15601 1 226 . 1 1 32 32 ASP HA H 1 4.322 0.02 . 1 . . . . 32 D HA . 15601 1 227 . 1 1 32 32 ASP HB2 H 1 2.650 0.02 . 2 . . . . 32 D HB2 . 15601 1 228 . 1 1 32 32 ASP C C 13 178.554 0.1 . 1 . . . . 32 D CO . 15601 1 229 . 1 1 32 32 ASP CA C 13 57.674 0.1 . 1 . . . . 32 D CA . 15601 1 230 . 1 1 32 32 ASP CB C 13 40.163 0.1 . 1 . . . . 32 D CB . 15601 1 231 . 1 1 32 32 ASP N N 15 120.116 0.1 . 1 . . . . 32 D N . 15601 1 232 . 1 1 33 33 PHE H H 1 8.769 0.02 . 1 . . . . 33 F H . 15601 1 233 . 1 1 33 33 PHE HA H 1 3.921 0.02 . 1 . . . . 33 F HA . 15601 1 234 . 1 1 33 33 PHE HB2 H 1 2.902 0.02 . 2 . . . . 33 F HB2 . 15601 1 235 . 1 1 33 33 PHE HB3 H 1 3.194 0.02 . 2 . . . . 33 F HB3 . 15601 1 236 . 1 1 33 33 PHE C C 13 175.625 0.1 . 1 . . . . 33 F CO . 15601 1 237 . 1 1 33 33 PHE CA C 13 62.075 0.1 . 1 . . . . 33 F CA . 15601 1 238 . 1 1 33 33 PHE CB C 13 39.728 0.1 . 1 . . . . 33 F CB . 15601 1 239 . 1 1 33 33 PHE N N 15 120.803 0.1 . 1 . . . . 33 F N . 15601 1 240 . 1 1 34 34 TYR H H 1 7.965 0.02 . 1 . . . . 34 Y H . 15601 1 241 . 1 1 34 34 TYR HA H 1 4.280 0.02 . 1 . . . . 34 Y HA . 15601 1 242 . 1 1 34 34 TYR C C 13 178.442 0.1 . 1 . . . . 34 Y CO . 15601 1 243 . 1 1 34 34 TYR CA C 13 61.772 0.1 . 1 . . . . 34 Y CA . 15601 1 244 . 1 1 34 34 TYR CB C 13 37.964 0.1 . 1 . . . . 34 Y CB . 15601 1 245 . 1 1 34 34 TYR N N 15 116.674 0.1 . 1 . . . . 34 Y N . 15601 1 246 . 1 1 35 35 LYS H H 1 8.453 0.02 . 1 . . . . 35 K H . 15601 1 247 . 1 1 35 35 LYS HA H 1 3.801 0.02 . 1 . . . . 35 K HA . 15601 1 248 . 1 1 35 35 LYS HB2 H 1 1.720 0.02 . 2 . . . . 35 K HB2 . 15601 1 249 . 1 1 35 35 LYS HB3 H 1 1.839 0.02 . 2 . . . . 35 K HB3 . 15601 1 250 . 1 1 35 35 LYS C C 13 177.726 0.1 . 1 . . . . 35 K CO . 15601 1 251 . 1 1 35 35 LYS CA C 13 59.829 0.1 . 1 . . . . 35 K CA . 15601 1 252 . 1 1 35 35 LYS CB C 13 32.708 0.1 . 1 . . . . 35 K CB . 15601 1 253 . 1 1 35 35 LYS N N 15 117.829 0.1 . 1 . . . . 35 K N . 15601 1 254 . 1 1 36 36 PHE H H 1 7.629 0.02 . 1 . . . . 36 F H . 15601 1 255 . 1 1 36 36 PHE HA H 1 3.794 0.02 . 1 . . . . 36 F HA . 15601 1 256 . 1 1 36 36 PHE HB2 H 1 2.413 0.02 . 2 . . . . 36 F HB2 . 15601 1 257 . 1 1 36 36 PHE HB3 H 1 2.935 0.02 . 2 . . . . 36 F HB3 . 15601 1 258 . 1 1 36 36 PHE C C 13 175.941 0.1 . 1 . . . . 36 F CO . 15601 1 259 . 1 1 36 36 PHE CA C 13 60.759 0.1 . 1 . . . . 36 F CA . 15601 1 260 . 1 1 36 36 PHE CB C 13 38.417 0.1 . 1 . . . . 36 F CB . 15601 1 261 . 1 1 36 36 PHE N N 15 117.943 0.1 . 1 . . . . 36 F N . 15601 1 262 . 1 1 37 37 TRP H H 1 6.646 0.02 . 1 . . . . 37 W H . 15601 1 263 . 1 1 37 37 TRP HA H 1 3.904 0.02 . 1 . . . . 37 W HA . 15601 1 264 . 1 1 37 37 TRP HB2 H 1 2.756 0.02 . 2 . . . . 37 W HB2 . 15601 1 265 . 1 1 37 37 TRP HB3 H 1 3.358 0.02 . 2 . . . . 37 W HB3 . 15601 1 266 . 1 1 37 37 TRP C C 13 176.553 0.1 . 1 . . . . 37 W CO . 15601 1 267 . 1 1 37 37 TRP CA C 13 57.642 0.1 . 1 . . . . 37 W CA . 15601 1 268 . 1 1 37 37 TRP CB C 13 29.646 0.1 . 1 . . . . 37 W CB . 15601 1 269 . 1 1 37 37 TRP N N 15 114.387 0.1 . 1 . . . . 37 W N . 15601 1 270 . 1 1 38 38 LYS H H 1 7.756 0.02 . 1 . . . . 38 K H . 15601 1 271 . 1 1 38 38 LYS HA H 1 4.142 0.02 . 1 . . . . 38 K HA . 15601 1 272 . 1 1 38 38 LYS HB2 H 1 1.765 0.02 . 2 . . . . 38 K HB2 . 15601 1 273 . 1 1 38 38 LYS C C 13 176.869 0.1 . 1 . . . . 38 K CO . 15601 1 274 . 1 1 38 38 LYS CA C 13 57.419 0.1 . 1 . . . . 38 K CA . 15601 1 275 . 1 1 38 38 LYS CB C 13 33.935 0.1 . 1 . . . . 38 K CB . 15601 1 276 . 1 1 38 38 LYS N N 15 117.639 0.1 . 1 . . . . 38 K N . 15601 1 277 . 1 1 39 39 GLU H H 1 7.847 0.02 . 1 . . . . 39 E H . 15601 1 278 . 1 1 39 39 GLU HA H 1 4.309 0.02 . 1 . . . . 39 E HA . 15601 1 279 . 1 1 39 39 GLU HB2 H 1 1.776 0.02 . 2 . . . . 39 E HB2 . 15601 1 280 . 1 1 39 39 GLU C C 13 175.926 0.1 . 1 . . . . 39 E CO . 15601 1 281 . 1 1 39 39 GLU CA C 13 55.495 0.1 . 1 . . . . 39 E CA . 15601 1 282 . 1 1 39 39 GLU CB C 13 30.317 0.1 . 1 . . . . 39 E CB . 15601 1 283 . 1 1 39 39 GLU N N 15 117.382 0.1 . 1 . . . . 39 E N . 15601 1 284 . 1 1 40 40 ASP H H 1 8.358 0.02 . 1 . . . . 40 D H . 15601 1 285 . 1 1 40 40 ASP HA H 1 4.329 0.02 . 1 . . . . 40 D HA . 15601 1 286 . 1 1 40 40 ASP HB2 H 1 2.406 0.02 . 2 . . . . 40 D HB2 . 15601 1 287 . 1 1 40 40 ASP C C 13 175.417 0.1 . 1 . . . . 40 D CO . 15601 1 288 . 1 1 40 40 ASP CA C 13 54.765 0.1 . 1 . . . . 40 D CA . 15601 1 289 . 1 1 40 40 ASP CB C 13 40.441 0.1 . 1 . . . . 40 D CB . 15601 1 290 . 1 1 40 40 ASP N N 15 119.706 0.1 . 1 . . . . 40 D N . 15601 1 291 . 1 1 41 41 TYR H H 1 7.464 0.02 . 1 . . . . 41 Y H . 15601 1 292 . 1 1 41 41 TYR HA H 1 4.453 0.02 . 1 . . . . 41 Y HA . 15601 1 293 . 1 1 41 41 TYR HB2 H 1 2.833 0.02 . 2 . . . . 41 Y HB2 . 15601 1 294 . 1 1 41 41 TYR C C 13 175.191 0.1 . 1 . . . . 41 Y CO . 15601 1 295 . 1 1 41 41 TYR CA C 13 57.193 0.1 . 1 . . . . 41 Y CA . 15601 1 296 . 1 1 41 41 TYR CB C 13 39.200 0.1 . 1 . . . . 41 Y CB . 15601 1 297 . 1 1 41 41 TYR N N 15 118.266 0.1 . 1 . . . . 41 Y N . 15601 1 298 . 1 1 42 42 GLU H H 1 8.096 0.02 . 1 . . . . 42 E H . 15601 1 299 . 1 1 42 42 GLU HA H 1 4.206 0.02 . 1 . . . . 42 E HA . 15601 1 300 . 1 1 42 42 GLU HB2 H 1 1.765 0.02 . 2 . . . . 42 E HB2 . 15601 1 301 . 1 1 42 42 GLU HB3 H 1 1.921 0.02 . 2 . . . . 42 E HB3 . 15601 1 302 . 1 1 42 42 GLU C C 13 175.357 0.1 . 1 . . . . 42 E CO . 15601 1 303 . 1 1 42 42 GLU CA C 13 56.023 0.1 . 1 . . . . 42 E CA . 15601 1 304 . 1 1 42 42 GLU CB C 13 29.999 0.1 . 1 . . . . 42 E CB . 15601 1 305 . 1 1 42 42 GLU N N 15 122.549 0.1 . 1 . . . . 42 E N . 15601 1 306 . 1 1 43 43 ILE H H 1 7.697 0.02 . 1 . . . . 43 I H . 15601 1 307 . 1 1 43 43 ILE HA H 1 4.205 0.02 . 1 . . . . 43 I HA . 15601 1 308 . 1 1 43 43 ILE HB H 1 1.780 0.02 . 1 . . . . 43 I HB . 15601 1 309 . 1 1 43 43 ILE HG21 H 1 0.836 0.02 . 1 . . . . 43 I HG2 . 15601 1 310 . 1 1 43 43 ILE HG22 H 1 0.836 0.02 . 1 . . . . 43 I HG2 . 15601 1 311 . 1 1 43 43 ILE HG23 H 1 0.836 0.02 . 1 . . . . 43 I HG2 . 15601 1 312 . 1 1 43 43 ILE C C 13 175.936 0.1 . 1 . . . . 43 I CO . 15601 1 313 . 1 1 43 43 ILE CA C 13 60.737 0.1 . 1 . . . . 43 I CA . 15601 1 314 . 1 1 43 43 ILE CB C 13 38.769 0.1 . 1 . . . . 43 I CB . 15601 1 315 . 1 1 43 43 ILE N N 15 121.627 0.1 . 1 . . . . 43 I N . 15601 1 316 . 1 1 44 44 THR H H 1 8.327 0.02 . 1 . . . . 44 T H . 15601 1 317 . 1 1 44 44 THR HA H 1 4.259 0.02 . 1 . . . . 44 T HA . 15601 1 318 . 1 1 44 44 THR HB H 1 4.106 0.02 . 1 . . . . 44 T HB . 15601 1 319 . 1 1 44 44 THR C C 13 173.213 0.1 . 1 . . . . 44 T CO . 15601 1 320 . 1 1 44 44 THR CA C 13 60.983 0.1 . 1 . . . . 44 T CA . 15601 1 321 . 1 1 44 44 THR CB C 13 69.611 0.1 . 1 . . . . 44 T CB . 15601 1 322 . 1 1 44 44 THR N N 15 118.071 0.1 . 1 . . . . 44 T N . 15601 1 323 . 1 1 45 45 ASN H H 1 7.699 0.02 . 1 . . . . 45 N H . 15601 1 324 . 1 1 45 45 ASN HA H 1 4.620 0.02 . 1 . . . . 45 N HA . 15601 1 325 . 1 1 45 45 ASN HB2 H 1 2.699 0.02 . 2 . . . . 45 N HB2 . 15601 1 326 . 1 1 45 45 ASN HB3 H 1 2.900 0.02 . 2 . . . . 45 N HB3 . 15601 1 327 . 1 1 45 45 ASN C C 13 175.229 0.1 . 1 . . . . 45 N CO . 15601 1 328 . 1 1 45 45 ASN CA C 13 52.564 0.1 . 1 . . . . 45 N CA . 15601 1 329 . 1 1 45 45 ASN CB C 13 39.872 0.1 . 1 . . . . 45 N CB . 15601 1 330 . 1 1 45 45 ASN N N 15 121.394 0.1 . 1 . . . . 45 N N . 15601 1 331 . 1 1 46 46 ARG H H 1 8.912 0.02 . 1 . . . . 46 R H . 15601 1 332 . 1 1 46 46 ARG HA H 1 3.847 0.02 . 1 . . . . 46 R HA . 15601 1 333 . 1 1 46 46 ARG HB2 H 1 1.749 0.02 . 2 . . . . 46 R HB2 . 15601 1 334 . 1 1 46 46 ARG C C 13 177.620 0.1 . 1 . . . . 46 R CO . 15601 1 335 . 1 1 46 46 ARG CA C 13 59.492 0.1 . 1 . . . . 46 R CA . 15601 1 336 . 1 1 46 46 ARG CB C 13 30.124 0.1 . 1 . . . . 46 R CB . 15601 1 337 . 1 1 46 46 ARG N N 15 123.753 0.1 . 1 . . . . 46 R N . 15601 1 338 . 1 1 47 47 LEU H H 1 8.370 0.02 . 1 . . . . 47 L H . 15601 1 339 . 1 1 47 47 LEU HA H 1 3.930 0.02 . 1 . . . . 47 L HA . 15601 1 340 . 1 1 47 47 LEU HB2 H 1 1.239 0.02 . 2 . . . . 47 L HB2 . 15601 1 341 . 1 1 47 47 LEU HB3 H 1 1.834 0.02 . 2 . . . . 47 L HB3 . 15601 1 342 . 1 1 47 47 LEU C C 13 179.530 0.1 . 1 . . . . 47 L CO . 15601 1 343 . 1 1 47 47 LEU CA C 13 58.180 0.1 . 1 . . . . 47 L CA . 15601 1 344 . 1 1 47 47 LEU CB C 13 40.451 0.1 . 1 . . . . 47 L CB . 15601 1 345 . 1 1 47 47 LEU N N 15 118.207 0.1 . 1 . . . . 47 L N . 15601 1 346 . 1 1 48 48 THR H H 1 7.741 0.02 . 1 . . . . 48 T H . 15601 1 347 . 1 1 48 48 THR HA H 1 3.954 0.02 . 1 . . . . 48 T HA . 15601 1 348 . 1 1 48 48 THR HB H 1 3.717 0.02 . 1 . . . . 48 T HB . 15601 1 349 . 1 1 48 48 THR C C 13 177.189 0.1 . 1 . . . . 48 T CO . 15601 1 350 . 1 1 48 48 THR CA C 13 67.057 0.1 . 1 . . . . 48 T CA . 15601 1 351 . 1 1 48 48 THR CB C 13 65.607 0.1 . 1 . . . . 48 T CB . 15601 1 352 . 1 1 48 48 THR N N 15 118.038 0.1 . 1 . . . . 48 T N . 15601 1 353 . 1 1 49 49 GLY H H 1 7.296 0.02 . 1 . . . . 49 G H . 15601 1 354 . 1 1 49 49 GLY HA2 H 1 4.236 0.02 . 2 . . . . 49 G HA2 . 15601 1 355 . 1 1 49 49 GLY HA3 H 1 3.430 0.02 . 2 . . . . 49 G HA3 . 15601 1 356 . 1 1 49 49 GLY C C 13 175.558 0.1 . 1 . . . . 49 G CO . 15601 1 357 . 1 1 49 49 GLY CA C 13 47.902 0.1 . 1 . . . . 49 G CA . 15601 1 358 . 1 1 49 49 GLY N N 15 108.624 0.1 . 1 . . . . 49 G N . 15601 1 359 . 1 1 50 50 CYS H H 1 8.280 0.02 . 1 . . . . 50 C H . 15601 1 360 . 1 1 50 50 CYS HA H 1 4.669 0.02 . 1 . . . . 50 C HA . 15601 1 361 . 1 1 50 50 CYS HB2 H 1 2.966 0.02 . 2 . . . . 50 C HB2 . 15601 1 362 . 1 1 50 50 CYS HB3 H 1 3.114 0.02 . 2 . . . . 50 C HB3 . 15601 1 363 . 1 1 50 50 CYS C C 13 177.963 0.1 . 1 . . . . 50 C CO . 15601 1 364 . 1 1 50 50 CYS CA C 13 55.109 0.1 . 1 . . . . 50 C CA . 15601 1 365 . 1 1 50 50 CYS CB C 13 34.441 0.1 . 1 . . . . 50 C CB . 15601 1 366 . 1 1 50 50 CYS N N 15 119.323 0.1 . 1 . . . . 50 C N . 15601 1 367 . 1 1 51 51 ALA H H 1 8.530 0.02 . 1 . . . . 51 A H . 15601 1 368 . 1 1 51 51 ALA HA H 1 3.760 0.02 . 1 . . . . 51 A HA . 15601 1 369 . 1 1 51 51 ALA HB1 H 1 1.392 0.02 . 1 . . . . 51 A HB . 15601 1 370 . 1 1 51 51 ALA HB2 H 1 1.392 0.02 . 1 . . . . 51 A HB . 15601 1 371 . 1 1 51 51 ALA HB3 H 1 1.392 0.02 . 1 . . . . 51 A HB . 15601 1 372 . 1 1 51 51 ALA C C 13 178.091 0.1 . 1 . . . . 51 A CO . 15601 1 373 . 1 1 51 51 ALA CA C 13 56.207 0.1 . 1 . . . . 51 A CA . 15601 1 374 . 1 1 51 51 ALA CB C 13 17.215 0.1 . 1 . . . . 51 A CB . 15601 1 375 . 1 1 51 51 ALA N N 15 124.564 0.1 . 1 . . . . 51 A N . 15601 1 376 . 1 1 52 52 ILE H H 1 8.022 0.02 . 1 . . . . 52 I H . 15601 1 377 . 1 1 52 52 ILE HA H 1 3.497 0.02 . 1 . . . . 52 I HA . 15601 1 378 . 1 1 52 52 ILE C C 13 176.561 0.1 . 1 . . . . 52 I CO . 15601 1 379 . 1 1 52 52 ILE CA C 13 66.663 0.1 . 1 . . . . 52 I CA . 15601 1 380 . 1 1 52 52 ILE CB C 13 38.050 0.1 . 1 . . . . 52 I CB . 15601 1 381 . 1 1 52 52 ILE N N 15 117.206 0.1 . 1 . . . . 52 I N . 15601 1 382 . 1 1 53 53 LYS H H 1 8.264 0.02 . 1 . . . . 53 K H . 15601 1 383 . 1 1 53 53 LYS HA H 1 3.841 0.02 . 1 . . . . 53 K HA . 15601 1 384 . 1 1 53 53 LYS HB2 H 1 1.740 0.02 . 2 . . . . 53 K HB2 . 15601 1 385 . 1 1 53 53 LYS HB3 H 1 2.105 0.02 . 2 . . . . 53 K HB3 . 15601 1 386 . 1 1 53 53 LYS C C 13 178.833 0.1 . 1 . . . . 53 K CO . 15601 1 387 . 1 1 53 53 LYS CA C 13 59.122 0.1 . 1 . . . . 53 K CA . 15601 1 388 . 1 1 53 53 LYS CB C 13 32.615 0.1 . 1 . . . . 53 K CB . 15601 1 389 . 1 1 53 53 LYS N N 15 118.782 0.1 . 1 . . . . 53 K N . 15601 1 390 . 1 1 54 54 CYS H H 1 8.183 0.02 . 1 . . . . 54 C H . 15601 1 391 . 1 1 54 54 CYS HA H 1 4.206 0.02 . 1 . . . . 54 C HA . 15601 1 392 . 1 1 54 54 CYS HB2 H 1 3.024 0.02 . 2 . . . . 54 C HB2 . 15601 1 393 . 1 1 54 54 CYS HB3 H 1 3.455 0.02 . 2 . . . . 54 C HB3 . 15601 1 394 . 1 1 54 54 CYS C C 13 176.209 0.1 . 1 . . . . 54 C CO . 15601 1 395 . 1 1 54 54 CYS CA C 13 59.890 0.1 . 1 . . . . 54 C CA . 15601 1 396 . 1 1 54 54 CYS CB C 13 43.998 0.1 . 1 . . . . 54 C CB . 15601 1 397 . 1 1 54 54 CYS N N 15 120.129 0.1 . 1 . . . . 54 C N . 15601 1 398 . 1 1 55 55 LEU H H 1 8.348 0.02 . 1 . . . . 55 L H . 15601 1 399 . 1 1 55 55 LEU HA H 1 3.655 0.02 . 1 . . . . 55 L HA . 15601 1 400 . 1 1 55 55 LEU HB2 H 1 1.241 0.02 . 2 . . . . 55 L HB2 . 15601 1 401 . 1 1 55 55 LEU HB3 H 1 1.911 0.02 . 2 . . . . 55 L HB3 . 15601 1 402 . 1 1 55 55 LEU C C 13 179.049 0.1 . 1 . . . . 55 L CO . 15601 1 403 . 1 1 55 55 LEU CA C 13 58.684 0.1 . 1 . . . . 55 L CA . 15601 1 404 . 1 1 55 55 LEU CB C 13 42.974 0.1 . 1 . . . . 55 L CB . 15601 1 405 . 1 1 55 55 LEU N N 15 121.259 0.1 . 1 . . . . 55 L N . 15601 1 406 . 1 1 56 56 SER H H 1 7.959 0.02 . 1 . . . . 56 S H . 15601 1 407 . 1 1 56 56 SER HA H 1 4.485 0.02 . 1 . . . . 56 S HA . 15601 1 408 . 1 1 56 56 SER HB2 H 1 3.831 0.02 . 2 . . . . 56 S HB2 . 15601 1 409 . 1 1 56 56 SER HB3 H 1 4.073 0.02 . 2 . . . . 56 S HB3 . 15601 1 410 . 1 1 56 56 SER C C 13 174.372 0.1 . 1 . . . . 56 S CO . 15601 1 411 . 1 1 56 56 SER CA C 13 61.405 0.1 . 1 . . . . 56 S CA . 15601 1 412 . 1 1 56 56 SER CB C 13 63.508 0.1 . 1 . . . . 56 S CB . 15601 1 413 . 1 1 56 56 SER N N 15 113.605 0.1 . 1 . . . . 56 S N . 15601 1 414 . 1 1 57 57 GLU H H 1 7.406 0.02 . 1 . . . . 57 E H . 15601 1 415 . 1 1 57 57 GLU HA H 1 4.463 0.02 . 1 . . . . 57 E HA . 15601 1 416 . 1 1 57 57 GLU HB2 H 1 2.252 0.02 . 2 . . . . 57 E HB2 . 15601 1 417 . 1 1 57 57 GLU C C 13 176.997 0.1 . 1 . . . . 57 E CO . 15601 1 418 . 1 1 57 57 GLU CA C 13 56.026 0.1 . 1 . . . . 57 E CA . 15601 1 419 . 1 1 57 57 GLU CB C 13 29.322 0.1 . 1 . . . . 57 E CB . 15601 1 420 . 1 1 57 57 GLU N N 15 120.160 0.1 . 1 . . . . 57 E N . 15601 1 421 . 1 1 58 58 LYS H H 1 7.780 0.02 . 1 . . . . 58 K H . 15601 1 422 . 1 1 58 58 LYS HA H 1 4.893 0.02 . 1 . . . . 58 K HA . 15601 1 423 . 1 1 58 58 LYS HB2 H 1 1.555 0.02 . 2 . . . . 58 K HB2 . 15601 1 424 . 1 1 58 58 LYS HB3 H 1 2.131 0.02 . 2 . . . . 58 K HB3 . 15601 1 425 . 1 1 58 58 LYS C C 13 177.645 0.1 . 1 . . . . 58 K CO . 15601 1 426 . 1 1 58 58 LYS CA C 13 54.367 0.1 . 1 . . . . 58 K CA . 15601 1 427 . 1 1 58 58 LYS CB C 13 32.962 0.1 . 1 . . . . 58 K CB . 15601 1 428 . 1 1 58 58 LYS N N 15 122.577 0.1 . 1 . . . . 58 K N . 15601 1 429 . 1 1 59 59 LEU H H 1 7.947 0.02 . 1 . . . . 59 L H . 15601 1 430 . 1 1 59 59 LEU HA H 1 3.723 0.02 . 1 . . . . 59 L HA . 15601 1 431 . 1 1 59 59 LEU HB2 H 1 1.184 0.02 . 2 . . . . 59 L HB2 . 15601 1 432 . 1 1 59 59 LEU HB3 H 1 1.730 0.02 . 2 . . . . 59 L HB3 . 15601 1 433 . 1 1 59 59 LEU C C 13 179.220 0.1 . 1 . . . . 59 L CO . 15601 1 434 . 1 1 59 59 LEU CA C 13 58.328 0.1 . 1 . . . . 59 L CA . 15601 1 435 . 1 1 59 59 LEU CB C 13 40.570 0.1 . 1 . . . . 59 L CB . 15601 1 436 . 1 1 59 59 LEU N N 15 119.321 0.1 . 1 . . . . 59 L N . 15601 1 437 . 1 1 60 60 GLU H H 1 9.231 0.02 . 1 . . . . 60 E H . 15601 1 438 . 1 1 60 60 GLU HA H 1 4.187 0.02 . 1 . . . . 60 E HA . 15601 1 439 . 1 1 60 60 GLU HB2 H 1 2.025 0.02 . 2 . . . . 60 E HB2 . 15601 1 440 . 1 1 60 60 GLU C C 13 177.186 0.1 . 1 . . . . 60 E CO . 15601 1 441 . 1 1 60 60 GLU CA C 13 58.521 0.1 . 1 . . . . 60 E CA . 15601 1 442 . 1 1 60 60 GLU CB C 13 27.976 0.1 . 1 . . . . 60 E CB . 15601 1 443 . 1 1 60 60 GLU N N 15 117.852 0.1 . 1 . . . . 60 E N . 15601 1 444 . 1 1 61 61 MET H H 1 7.738 0.02 . 1 . . . . 61 M H . 15601 1 445 . 1 1 61 61 MET HA H 1 4.256 0.02 . 1 . . . . 61 M HA . 15601 1 446 . 1 1 61 61 MET HB2 H 1 2.105 0.02 . 2 . . . . 61 M HB2 . 15601 1 447 . 1 1 61 61 MET HG2 H 1 2.524 0.02 . 2 . . . . 61 M HG2 . 15601 1 448 . 1 1 61 61 MET C C 13 176.949 0.1 . 1 . . . . 61 M CO . 15601 1 449 . 1 1 61 61 MET CA C 13 56.946 0.1 . 1 . . . . 61 M CA . 15601 1 450 . 1 1 61 61 MET CB C 13 34.112 0.1 . 1 . . . . 61 M CB . 15601 1 451 . 1 1 61 61 MET N N 15 116.034 0.1 . 1 . . . . 61 M N . 15601 1 452 . 1 1 62 62 VAL H H 1 7.319 0.02 . 1 . . . . 62 V H . 15601 1 453 . 1 1 62 62 VAL HA H 1 3.785 0.02 . 1 . . . . 62 V HA . 15601 1 454 . 1 1 62 62 VAL HB H 1 1.792 0.02 . 1 . . . . 62 V HB . 15601 1 455 . 1 1 62 62 VAL CA C 13 63.788 0.1 . 1 . . . . 62 V CA . 15601 1 456 . 1 1 62 62 VAL CB C 13 32.126 0.1 . 1 . . . . 62 V CB . 15601 1 457 . 1 1 62 62 VAL N N 15 117.241 0.1 . 1 . . . . 62 V N . 15601 1 458 . 1 1 63 63 ASP HA H 1 4.934 0.02 . 1 . . . . 63 D HA . 15601 1 459 . 1 1 63 63 ASP HB2 H 1 2.270 0.02 . 2 . . . . 63 D HB2 . 15601 1 460 . 1 1 63 63 ASP HB3 H 1 2.860 0.02 . 2 . . . . 63 D HB3 . 15601 1 461 . 1 1 63 63 ASP C C 13 176.062 0.1 . 1 . . . . 63 D CO . 15601 1 462 . 1 1 63 63 ASP CA C 13 52.577 0.1 . 1 . . . . 63 D CA . 15601 1 463 . 1 1 63 63 ASP CB C 13 42.735 0.1 . 1 . . . . 63 D CB . 15601 1 464 . 1 1 64 64 ALA H H 1 8.722 0.02 . 1 . . . . 64 A H . 15601 1 465 . 1 1 64 64 ALA HA H 1 4.232 0.02 . 1 . . . . 64 A HA . 15601 1 466 . 1 1 64 64 ALA HB1 H 1 1.405 0.02 . 1 . . . . 64 A HB . 15601 1 467 . 1 1 64 64 ALA HB2 H 1 1.405 0.02 . 1 . . . . 64 A HB . 15601 1 468 . 1 1 64 64 ALA HB3 H 1 1.405 0.02 . 1 . . . . 64 A HB . 15601 1 469 . 1 1 64 64 ALA C C 13 178.324 0.1 . 1 . . . . 64 A CO . 15601 1 470 . 1 1 64 64 ALA CA C 13 53.895 0.1 . 1 . . . . 64 A CA . 15601 1 471 . 1 1 64 64 ALA CB C 13 18.939 0.1 . 1 . . . . 64 A CB . 15601 1 472 . 1 1 64 64 ALA N N 15 128.422 0.1 . 1 . . . . 64 A N . 15601 1 473 . 1 1 65 65 ASP H H 1 8.162 0.02 . 1 . . . . 65 D H . 15601 1 474 . 1 1 65 65 ASP HA H 1 4.614 0.02 . 1 . . . . 65 D HA . 15601 1 475 . 1 1 65 65 ASP HB2 H 1 2.779 0.02 . 2 . . . . 65 D HB2 . 15601 1 476 . 1 1 65 65 ASP HB3 H 1 2.878 0.02 . 2 . . . . 65 D HB3 . 15601 1 477 . 1 1 65 65 ASP C C 13 177.211 0.1 . 1 . . . . 65 D CO . 15601 1 478 . 1 1 65 65 ASP CA C 13 54.819 0.1 . 1 . . . . 65 D CA . 15601 1 479 . 1 1 65 65 ASP CB C 13 41.233 0.1 . 1 . . . . 65 D CB . 15601 1 480 . 1 1 65 65 ASP N N 15 115.569 0.1 . 1 . . . . 65 D N . 15601 1 481 . 1 1 66 66 GLY H H 1 7.856 0.02 . 1 . . . . 66 G H . 15601 1 482 . 1 1 66 66 GLY HA2 H 1 4.042 0.02 . 2 . . . . 66 G HA2 . 15601 1 483 . 1 1 66 66 GLY HA3 H 1 3.860 0.02 . 2 . . . . 66 G HA3 . 15601 1 484 . 1 1 66 66 GLY C C 13 174.668 0.1 . 1 . . . . 66 G CO . 15601 1 485 . 1 1 66 66 GLY CA C 13 46.766 0.1 . 1 . . . . 66 G CA . 15601 1 486 . 1 1 66 66 GLY N N 15 107.745 0.1 . 1 . . . . 66 G N . 15601 1 487 . 1 1 67 67 LYS H H 1 8.240 0.02 . 1 . . . . 67 K H . 15601 1 488 . 1 1 67 67 LYS HA H 1 4.304 0.02 . 1 . . . . 67 K HA . 15601 1 489 . 1 1 67 67 LYS HB2 H 1 1.628 0.02 . 2 . . . . 67 K HB2 . 15601 1 490 . 1 1 67 67 LYS HB3 H 1 1.953 0.02 . 2 . . . . 67 K HB3 . 15601 1 491 . 1 1 67 67 LYS HG2 H 1 1.329 0.02 . 2 . . . . 67 K HG2 . 15601 1 492 . 1 1 67 67 LYS C C 13 176.782 0.1 . 1 . . . . 67 K CO . 15601 1 493 . 1 1 67 67 LYS CA C 13 55.588 0.1 . 1 . . . . 67 K CA . 15601 1 494 . 1 1 67 67 LYS CB C 13 32.724 0.1 . 1 . . . . 67 K CB . 15601 1 495 . 1 1 67 67 LYS N N 15 116.640 0.1 . 1 . . . . 67 K N . 15601 1 496 . 1 1 68 68 LEU H H 1 8.578 0.02 . 1 . . . . 68 L H . 15601 1 497 . 1 1 68 68 LEU HA H 1 4.232 0.02 . 1 . . . . 68 L HA . 15601 1 498 . 1 1 68 68 LEU HB2 H 1 0.889 0.02 . 2 . . . . 68 L HB2 . 15601 1 499 . 1 1 68 68 LEU HB3 H 1 1.518 0.02 . 2 . . . . 68 L HB3 . 15601 1 500 . 1 1 68 68 LEU C C 13 173.560 0.1 . 1 . . . . 68 L CO . 15601 1 501 . 1 1 68 68 LEU CA C 13 55.117 0.1 . 1 . . . . 68 L CA . 15601 1 502 . 1 1 68 68 LEU CB C 13 42.984 0.1 . 1 . . . . 68 L CB . 15601 1 503 . 1 1 68 68 LEU N N 15 123.919 0.1 . 1 . . . . 68 L N . 15601 1 504 . 1 1 69 69 HIS H H 1 7.363 0.02 . 1 . . . . 69 H H . 15601 1 505 . 1 1 69 69 HIS HA H 1 4.909 0.02 . 1 . . . . 69 H HA . 15601 1 506 . 1 1 69 69 HIS HB2 H 1 2.975 0.02 . 2 . . . . 69 H HB2 . 15601 1 507 . 1 1 69 69 HIS HB3 H 1 3.321 0.02 . 2 . . . . 69 H HB3 . 15601 1 508 . 1 1 69 69 HIS C C 13 173.828 0.1 . 1 . . . . 69 H CO . 15601 1 509 . 1 1 69 69 HIS CA C 13 53.141 0.1 . 1 . . . . 69 H CA . 15601 1 510 . 1 1 69 69 HIS CB C 13 32.271 0.1 . 1 . . . . 69 H CB . 15601 1 511 . 1 1 69 69 HIS N N 15 120.599 0.1 . 1 . . . . 69 H N . 15601 1 512 . 1 1 70 70 HIS H H 1 9.378 0.02 . 1 . . . . 70 H H . 15601 1 513 . 1 1 70 70 HIS HA H 1 4.534 0.02 . 1 . . . . 70 H HA . 15601 1 514 . 1 1 70 70 HIS HB2 H 1 3.216 0.02 . 2 . . . . 70 H HB2 . 15601 1 515 . 1 1 70 70 HIS C C 13 176.792 0.1 . 1 . . . . 70 H CO . 15601 1 516 . 1 1 70 70 HIS CA C 13 58.242 0.1 . 1 . . . . 70 H CA . 15601 1 517 . 1 1 70 70 HIS CB C 13 27.398 0.1 . 1 . . . . 70 H CB . 15601 1 518 . 1 1 70 70 HIS N N 15 122.193 0.1 . 1 . . . . 70 H N . 15601 1 519 . 1 1 71 71 GLY H H 1 9.517 0.02 . 1 . . . . 71 G H . 15601 1 520 . 1 1 71 71 GLY HA2 H 1 3.989 0.02 . 2 . . . . 71 G HA2 . 15601 1 521 . 1 1 71 71 GLY HA3 H 1 3.700 0.02 . 2 . . . . 71 G HA3 . 15601 1 522 . 1 1 71 71 GLY C C 13 173.996 0.1 . 1 . . . . 71 G CO . 15601 1 523 . 1 1 71 71 GLY CA C 13 45.477 0.1 . 1 . . . . 71 G CA . 15601 1 524 . 1 1 71 71 GLY N N 15 116.651 0.1 . 1 . . . . 71 G N . 15601 1 525 . 1 1 72 72 ASN H H 1 7.991 0.02 . 1 . . . . 72 N H . 15601 1 526 . 1 1 72 72 ASN HA H 1 4.897 0.02 . 1 . . . . 72 N HA . 15601 1 527 . 1 1 72 72 ASN HB2 H 1 2.695 0.02 . 2 . . . . 72 N HB2 . 15601 1 528 . 1 1 72 72 ASN C C 13 173.757 0.1 . 1 . . . . 72 N CO . 15601 1 529 . 1 1 72 72 ASN CA C 13 53.476 0.1 . 1 . . . . 72 N CA . 15601 1 530 . 1 1 72 72 ASN CB C 13 38.915 0.1 . 1 . . . . 72 N CB . 15601 1 531 . 1 1 72 72 ASN N N 15 115.496 0.1 . 1 . . . . 72 N N . 15601 1 532 . 1 1 73 73 ALA H H 1 9.033 0.02 . 1 . . . . 73 A H . 15601 1 533 . 1 1 73 73 ALA HA H 1 4.659 0.02 . 1 . . . . 73 A HA . 15601 1 534 . 1 1 73 73 ALA HB1 H 1 1.177 0.02 . 1 . . . . 73 A HB . 15601 1 535 . 1 1 73 73 ALA HB2 H 1 1.177 0.02 . 1 . . . . 73 A HB . 15601 1 536 . 1 1 73 73 ALA HB3 H 1 1.177 0.02 . 1 . . . . 73 A HB . 15601 1 537 . 1 1 73 73 ALA C C 13 177.064 0.1 . 1 . . . . 73 A CO . 15601 1 538 . 1 1 73 73 ALA CA C 13 51.608 0.1 . 1 . . . . 73 A CA . 15601 1 539 . 1 1 73 73 ALA CB C 13 19.235 0.1 . 1 . . . . 73 A CB . 15601 1 540 . 1 1 73 73 ALA N N 15 127.446 0.1 . 1 . . . . 73 A N . 15601 1 541 . 1 1 74 74 ARG H H 1 7.806 0.02 . 1 . . . . 74 R H . 15601 1 542 . 1 1 74 74 ARG HA H 1 3.871 0.02 . 1 . . . . 74 R HA . 15601 1 543 . 1 1 74 74 ARG HB2 H 1 1.899 0.02 . 2 . . . . 74 R HB2 . 15601 1 544 . 1 1 74 74 ARG C C 13 177.302 0.1 . 1 . . . . 74 R CO . 15601 1 545 . 1 1 74 74 ARG CA C 13 61.274 0.1 . 1 . . . . 74 R CA . 15601 1 546 . 1 1 74 74 ARG CB C 13 30.351 0.1 . 1 . . . . 74 R CB . 15601 1 547 . 1 1 74 74 ARG N N 15 121.198 0.1 . 1 . . . . 74 R N . 15601 1 548 . 1 1 75 75 GLU H H 1 8.482 0.02 . 1 . . . . 75 E H . 15601 1 549 . 1 1 75 75 GLU HA H 1 3.997 0.02 . 1 . . . . 75 E HA . 15601 1 550 . 1 1 75 75 GLU HB2 H 1 2.070 0.02 . 2 . . . . 75 E HB2 . 15601 1 551 . 1 1 75 75 GLU C C 13 179.386 0.1 . 1 . . . . 75 E CO . 15601 1 552 . 1 1 75 75 GLU CA C 13 59.933 0.1 . 1 . . . . 75 E CA . 15601 1 553 . 1 1 75 75 GLU CB C 13 29.201 0.1 . 1 . . . . 75 E CB . 15601 1 554 . 1 1 75 75 GLU N N 15 117.560 0.1 . 1 . . . . 75 E N . 15601 1 555 . 1 1 76 76 PHE H H 1 8.067 0.02 . 1 . . . . 76 F H . 15601 1 556 . 1 1 76 76 PHE HA H 1 4.080 0.02 . 1 . . . . 76 F HA . 15601 1 557 . 1 1 76 76 PHE HB2 H 1 2.772 0.02 . 2 . . . . 76 F HB2 . 15601 1 558 . 1 1 76 76 PHE HB3 H 1 2.989 0.02 . 2 . . . . 76 F HB3 . 15601 1 559 . 1 1 76 76 PHE C C 13 177.391 0.1 . 1 . . . . 76 F CO . 15601 1 560 . 1 1 76 76 PHE CA C 13 61.483 0.1 . 1 . . . . 76 F CA . 15601 1 561 . 1 1 76 76 PHE CB C 13 39.711 0.1 . 1 . . . . 76 F CB . 15601 1 562 . 1 1 76 76 PHE N N 15 120.868 0.1 . 1 . . . . 76 F N . 15601 1 563 . 1 1 77 77 ALA H H 1 9.203 0.02 . 1 . . . . 77 A H . 15601 1 564 . 1 1 77 77 ALA HA H 1 3.850 0.02 . 1 . . . . 77 A HA . 15601 1 565 . 1 1 77 77 ALA HB1 H 1 1.462 0.02 . 1 . . . . 77 A HB . 15601 1 566 . 1 1 77 77 ALA HB2 H 1 1.462 0.02 . 1 . . . . 77 A HB . 15601 1 567 . 1 1 77 77 ALA HB3 H 1 1.462 0.02 . 1 . . . . 77 A HB . 15601 1 568 . 1 1 77 77 ALA C C 13 180.061 0.1 . 1 . . . . 77 A CO . 15601 1 569 . 1 1 77 77 ALA CA C 13 55.776 0.1 . 1 . . . . 77 A CA . 15601 1 570 . 1 1 77 77 ALA CB C 13 17.062 0.1 . 1 . . . . 77 A CB . 15601 1 571 . 1 1 77 77 ALA N N 15 123.057 0.1 . 1 . . . . 77 A N . 15601 1 572 . 1 1 78 78 MET H H 1 8.323 0.02 . 1 . . . . 78 M H . 15601 1 573 . 1 1 78 78 MET HA H 1 4.838 0.02 . 1 . . . . 78 M HA . 15601 1 574 . 1 1 78 78 MET HB2 H 1 1.926 0.02 . 2 . . . . 78 M HB2 . 15601 1 575 . 1 1 78 78 MET HB3 H 1 2.182 0.02 . 2 . . . . 78 M HB3 . 15601 1 576 . 1 1 78 78 MET C C 13 179.152 0.1 . 1 . . . . 78 M CO . 15601 1 577 . 1 1 78 78 MET CA C 13 57.917 0.1 . 1 . . . . 78 M CA . 15601 1 578 . 1 1 78 78 MET CB C 13 32.713 0.1 . 1 . . . . 78 M CB . 15601 1 579 . 1 1 78 78 MET N N 15 116.511 0.1 . 1 . . . . 78 M N . 15601 1 580 . 1 1 79 79 LYS H H 1 7.675 0.02 . 1 . . . . 79 K H . 15601 1 581 . 1 1 79 79 LYS HA H 1 4.113 0.02 . 1 . . . . 79 K HA . 15601 1 582 . 1 1 79 79 LYS HB2 H 1 1.633 0.02 . 2 . . . . 79 K HB2 . 15601 1 583 . 1 1 79 79 LYS C C 13 176.695 0.1 . 1 . . . . 79 K CO . 15601 1 584 . 1 1 79 79 LYS CA C 13 56.929 0.1 . 1 . . . . 79 K CA . 15601 1 585 . 1 1 79 79 LYS CB C 13 32.110 0.1 . 1 . . . . 79 K CB . 15601 1 586 . 1 1 79 79 LYS N N 15 119.803 0.1 . 1 . . . . 79 K N . 15601 1 587 . 1 1 80 80 HIS H H 1 7.321 0.02 . 1 . . . . 80 H H . 15601 1 588 . 1 1 80 80 HIS HA H 1 4.524 0.02 . 1 . . . . 80 H HA . 15601 1 589 . 1 1 80 80 HIS HB2 H 1 2.308 0.02 . 2 . . . . 80 H HB2 . 15601 1 590 . 1 1 80 80 HIS HB3 H 1 3.470 0.02 . 2 . . . . 80 H HB3 . 15601 1 591 . 1 1 80 80 HIS C C 13 173.868 0.1 . 1 . . . . 80 H CO . 15601 1 592 . 1 1 80 80 HIS CA C 13 55.404 0.1 . 1 . . . . 80 H CA . 15601 1 593 . 1 1 80 80 HIS CB C 13 28.368 0.1 . 1 . . . . 80 H CB . 15601 1 594 . 1 1 80 80 HIS N N 15 114.946 0.1 . 1 . . . . 80 H N . 15601 1 595 . 1 1 81 81 GLY H H 1 7.468 0.02 . 1 . . . . 81 G H . 15601 1 596 . 1 1 81 81 GLY HA2 H 1 4.304 0.02 . 2 . . . . 81 G HA2 . 15601 1 597 . 1 1 81 81 GLY HA3 H 1 3.623 0.02 . 2 . . . . 81 G HA3 . 15601 1 598 . 1 1 81 81 GLY C C 13 174.296 0.1 . 1 . . . . 81 G CO . 15601 1 599 . 1 1 81 81 GLY CA C 13 46.112 0.1 . 1 . . . . 81 G CA . 15601 1 600 . 1 1 81 81 GLY N N 15 104.934 0.1 . 1 . . . . 81 G N . 15601 1 601 . 1 1 82 82 ALA H H 1 8.052 0.02 . 1 . . . . 82 A H . 15601 1 602 . 1 1 82 82 ALA HA H 1 4.577 0.02 . 1 . . . . 82 A HA . 15601 1 603 . 1 1 82 82 ALA HB1 H 1 1.115 0.02 . 1 . . . . 82 A HB . 15601 1 604 . 1 1 82 82 ALA HB2 H 1 1.115 0.02 . 1 . . . . 82 A HB . 15601 1 605 . 1 1 82 82 ALA HB3 H 1 1.115 0.02 . 1 . . . . 82 A HB . 15601 1 606 . 1 1 82 82 ALA C C 13 175.955 0.1 . 1 . . . . 82 A CO . 15601 1 607 . 1 1 82 82 ALA CA C 13 51.304 0.1 . 1 . . . . 82 A CA . 15601 1 608 . 1 1 82 82 ALA CB C 13 19.503 0.1 . 1 . . . . 82 A CB . 15601 1 609 . 1 1 82 82 ALA N N 15 123.423 0.1 . 1 . . . . 82 A N . 15601 1 610 . 1 1 83 83 ASP H H 1 7.481 0.02 . 1 . . . . 83 D H . 15601 1 611 . 1 1 83 83 ASP HA H 1 4.674 0.02 . 1 . . . . 83 D HA . 15601 1 612 . 1 1 83 83 ASP HB2 H 1 3.120 0.02 . 2 . . . . 83 D HB2 . 15601 1 613 . 1 1 83 83 ASP HB3 H 1 2.692 0.02 . 2 . . . . 83 D HB3 . 15601 1 614 . 1 1 83 83 ASP C C 13 175.243 0.1 . 1 . . . . 83 D CO . 15601 1 615 . 1 1 83 83 ASP CA C 13 51.914 0.1 . 1 . . . . 83 D CA . 15601 1 616 . 1 1 83 83 ASP CB C 13 40.965 0.1 . 1 . . . . 83 D CB . 15601 1 617 . 1 1 83 83 ASP N N 15 120.084 0.1 . 1 . . . . 83 D N . 15601 1 618 . 1 1 84 84 ASP H H 1 8.418 0.02 . 1 . . . . 84 D H . 15601 1 619 . 1 1 84 84 ASP HA H 1 4.261 0.02 . 1 . . . . 84 D HA . 15601 1 620 . 1 1 84 84 ASP HB2 H 1 2.590 0.02 . 2 . . . . 84 D HB . 15601 1 621 . 1 1 84 84 ASP HB3 H 1 2.590 0.02 . 2 . . . . 84 D HB . 15601 1 622 . 1 1 84 84 ASP C C 13 178.014 0.1 . 1 . . . . 84 D CO . 15601 1 623 . 1 1 84 84 ASP CA C 13 58.193 0.1 . 1 . . . . 84 D CA . 15601 1 624 . 1 1 84 84 ASP CB C 13 42.302 0.1 . 1 . . . . 84 D CB . 15601 1 625 . 1 1 84 84 ASP N N 15 118.089 0.1 . 1 . . . . 84 D N . 15601 1 626 . 1 1 85 85 ALA H H 1 8.020 0.02 . 1 . . . . 85 A H . 15601 1 627 . 1 1 85 85 ALA HA H 1 4.015 0.02 . 1 . . . . 85 A HA . 15601 1 628 . 1 1 85 85 ALA HB1 H 1 1.403 0.02 . 1 . . . . 85 A HB . 15601 1 629 . 1 1 85 85 ALA HB2 H 1 1.403 0.02 . 1 . . . . 85 A HB . 15601 1 630 . 1 1 85 85 ALA HB3 H 1 1.403 0.02 . 1 . . . . 85 A HB . 15601 1 631 . 1 1 85 85 ALA C C 13 181.013 0.1 . 1 . . . . 85 A CO . 15601 1 632 . 1 1 85 85 ALA CA C 13 55.262 0.1 . 1 . . . . 85 A CA . 15601 1 633 . 1 1 85 85 ALA CB C 13 18.035 0.1 . 1 . . . . 85 A CB . 15601 1 634 . 1 1 85 85 ALA N N 15 120.882 0.1 . 1 . . . . 85 A N . 15601 1 635 . 1 1 86 86 MET H H 1 8.568 0.02 . 1 . . . . 86 M H . 15601 1 636 . 1 1 86 86 MET HA H 1 4.040 0.02 . 1 . . . . 86 M HA . 15601 1 637 . 1 1 86 86 MET HB2 H 1 1.735 0.02 . 2 . . . . 86 M HB2 . 15601 1 638 . 1 1 86 86 MET HB3 H 1 1.992 0.02 . 2 . . . . 86 M HB3 . 15601 1 639 . 1 1 86 86 MET C C 13 177.885 0.1 . 1 . . . . 86 M CO . 15601 1 640 . 1 1 86 86 MET CA C 13 58.260 0.1 . 1 . . . . 86 M CA . 15601 1 641 . 1 1 86 86 MET CB C 13 33.178 0.1 . 1 . . . . 86 M CB . 15601 1 642 . 1 1 86 86 MET N N 15 120.438 0.1 . 1 . . . . 86 M N . 15601 1 643 . 1 1 87 87 ALA H H 1 8.611 0.02 . 1 . . . . 87 A H . 15601 1 644 . 1 1 87 87 ALA HA H 1 3.793 0.02 . 1 . . . . 87 A HA . 15601 1 645 . 1 1 87 87 ALA HB1 H 1 1.409 0.02 . 1 . . . . 87 A HB . 15601 1 646 . 1 1 87 87 ALA HB2 H 1 1.409 0.02 . 1 . . . . 87 A HB . 15601 1 647 . 1 1 87 87 ALA HB3 H 1 1.409 0.02 . 1 . . . . 87 A HB . 15601 1 648 . 1 1 87 87 ALA C C 13 180.160 0.1 . 1 . . . . 87 A CO . 15601 1 649 . 1 1 87 87 ALA CA C 13 55.812 0.1 . 1 . . . . 87 A CA . 15601 1 650 . 1 1 87 87 ALA CB C 13 17.400 0.1 . 1 . . . . 87 A CB . 15601 1 651 . 1 1 87 87 ALA N N 15 120.616 0.1 . 1 . . . . 87 A N . 15601 1 652 . 1 1 88 88 LYS H H 1 7.860 0.02 . 1 . . . . 88 K H . 15601 1 653 . 1 1 88 88 LYS HA H 1 4.031 0.02 . 1 . . . . 88 K HA . 15601 1 654 . 1 1 88 88 LYS HB2 H 1 1.914 0.02 . 2 . . . . 88 K HB2 . 15601 1 655 . 1 1 88 88 LYS HG2 H 1 1.434 0.02 . 2 . . . . 88 K HG2 . 15601 1 656 . 1 1 88 88 LYS C C 13 177.974 0.1 . 1 . . . . 88 K CO . 15601 1 657 . 1 1 88 88 LYS CA C 13 59.174 0.1 . 1 . . . . 88 K CA . 15601 1 658 . 1 1 88 88 LYS CB C 13 32.584 0.1 . 1 . . . . 88 K CB . 15601 1 659 . 1 1 88 88 LYS N N 15 118.473 0.1 . 1 . . . . 88 K N . 15601 1 660 . 1 1 89 89 GLN H H 1 8.047 0.02 . 1 . . . . 89 Q H . 15601 1 661 . 1 1 89 89 GLN HA H 1 4.168 0.02 . 1 . . . . 89 Q HA . 15601 1 662 . 1 1 89 89 GLN HB2 H 1 2.308 0.02 . 2 . . . . 89 Q HB2 . 15601 1 663 . 1 1 89 89 GLN HG2 H 1 2.590 0.02 . 2 . . . . 89 Q HG2 . 15601 1 664 . 1 1 89 89 GLN C C 13 179.305 0.1 . 1 . . . . 89 Q CO . 15601 1 665 . 1 1 89 89 GLN CA C 13 59.151 0.1 . 1 . . . . 89 Q CA . 15601 1 666 . 1 1 89 89 GLN CB C 13 28.968 0.1 . 1 . . . . 89 Q CB . 15601 1 667 . 1 1 89 89 GLN N N 15 118.858 0.1 . 1 . . . . 89 Q N . 15601 1 668 . 1 1 90 90 LEU H H 1 8.363 0.02 . 1 . . . . 90 L H . 15601 1 669 . 1 1 90 90 LEU HA H 1 4.147 0.02 . 1 . . . . 90 L HA . 15601 1 670 . 1 1 90 90 LEU HB2 H 1 2.034 0.02 . 2 . . . . 90 L HB2 . 15601 1 671 . 1 1 90 90 LEU HB3 H 1 1.330 0.02 . 2 . . . . 90 L HB3 . 15601 1 672 . 1 1 90 90 LEU C C 13 178.261 0.1 . 1 . . . . 90 L CO . 15601 1 673 . 1 1 90 90 LEU CA C 13 58.625 0.1 . 1 . . . . 90 L CA . 15601 1 674 . 1 1 90 90 LEU CB C 13 41.581 0.1 . 1 . . . . 90 L CB . 15601 1 675 . 1 1 90 90 LEU N N 15 116.457 0.1 . 1 . . . . 90 L N . 15601 1 676 . 1 1 91 91 VAL H H 1 7.349 0.02 . 1 . . . . 91 V H . 15601 1 677 . 1 1 91 91 VAL HA H 1 3.476 0.02 . 1 . . . . 91 V HA . 15601 1 678 . 1 1 91 91 VAL HB H 1 2.020 0.02 . 1 . . . . 91 V HB . 15601 1 679 . 1 1 91 91 VAL HG11 H 1 0.811 0.02 . 2 . . . . 91 V HG1 . 15601 1 680 . 1 1 91 91 VAL HG12 H 1 0.811 0.02 . 2 . . . . 91 V HG1 . 15601 1 681 . 1 1 91 91 VAL HG13 H 1 0.811 0.02 . 2 . . . . 91 V HG1 . 15601 1 682 . 1 1 91 91 VAL C C 13 177.519 0.1 . 1 . . . . 91 V CO . 15601 1 683 . 1 1 91 91 VAL CA C 13 65.570 0.1 . 1 . . . . 91 V CA . 15601 1 684 . 1 1 91 91 VAL CB C 13 31.043 0.1 . 1 . . . . 91 V CB . 15601 1 685 . 1 1 91 91 VAL N N 15 118.805 0.1 . 1 . . . . 91 V N . 15601 1 686 . 1 1 92 92 ASP H H 1 7.997 0.02 . 1 . . . . 92 D H . 15601 1 687 . 1 1 92 92 ASP HA H 1 4.391 0.02 . 1 . . . . 92 D HA . 15601 1 688 . 1 1 92 92 ASP HB2 H 1 2.856 0.02 . 2 . . . . 92 D HB2 . 15601 1 689 . 1 1 92 92 ASP HB3 H 1 2.692 0.02 . 2 . . . . 92 D HB3 . 15601 1 690 . 1 1 92 92 ASP C C 13 180.376 0.1 . 1 . . . . 92 D CO . 15601 1 691 . 1 1 92 92 ASP CA C 13 57.711 0.1 . 1 . . . . 92 D CA . 15601 1 692 . 1 1 92 92 ASP CB C 13 39.482 0.1 . 1 . . . . 92 D CB . 15601 1 693 . 1 1 92 92 ASP N N 15 121.715 0.1 . 1 . . . . 92 D N . 15601 1 694 . 1 1 93 93 LEU H H 1 8.218 0.02 . 1 . . . . 93 L H . 15601 1 695 . 1 1 93 93 LEU HA H 1 4.284 0.02 . 1 . . . . 93 L HA . 15601 1 696 . 1 1 93 93 LEU HB2 H 1 1.483 0.02 . 2 . . . . 93 L HB . 15601 1 697 . 1 1 93 93 LEU HB3 H 1 1.483 0.02 . 2 . . . . 93 L HB . 15601 1 698 . 1 1 93 93 LEU C C 13 180.672 0.1 . 1 . . . . 93 L CO . 15601 1 699 . 1 1 93 93 LEU CA C 13 57.684 0.1 . 1 . . . . 93 L CA . 15601 1 700 . 1 1 93 93 LEU CB C 13 42.584 0.1 . 1 . . . . 93 L CB . 15601 1 701 . 1 1 93 93 LEU N N 15 120.497 0.1 . 1 . . . . 93 L N . 15601 1 702 . 1 1 94 94 ILE H H 1 8.191 0.02 . 1 . . . . 94 I H . 15601 1 703 . 1 1 94 94 ILE HA H 1 3.609 0.02 . 1 . . . . 94 I HA . 15601 1 704 . 1 1 94 94 ILE HB H 1 1.265 0.02 . 1 . . . . 94 I HB . 15601 1 705 . 1 1 94 94 ILE C C 13 177.825 0.1 . 1 . . . . 94 I CO . 15601 1 706 . 1 1 94 94 ILE CA C 13 65.722 0.1 . 1 . . . . 94 I CA . 15601 1 707 . 1 1 94 94 ILE CB C 13 36.798 0.1 . 1 . . . . 94 I CB . 15601 1 708 . 1 1 94 94 ILE N N 15 121.339 0.1 . 1 . . . . 94 I N . 15601 1 709 . 1 1 95 95 HIS H H 1 8.583 0.02 . 1 . . . . 95 H H . 15601 1 710 . 1 1 95 95 HIS HA H 1 4.582 0.02 . 1 . . . . 95 H HA . 15601 1 711 . 1 1 95 95 HIS HB2 H 1 3.280 0.02 . 2 . . . . 95 H HB . 15601 1 712 . 1 1 95 95 HIS HB3 H 1 3.280 0.02 . 2 . . . . 95 H HB . 15601 1 713 . 1 1 95 95 HIS C C 13 178.224 0.1 . 1 . . . . 95 H CO . 15601 1 714 . 1 1 95 95 HIS CA C 13 57.219 0.1 . 1 . . . . 95 H CA . 15601 1 715 . 1 1 95 95 HIS CB C 13 28.084 0.1 . 1 . . . . 95 H CB . 15601 1 716 . 1 1 95 95 HIS N N 15 121.007 0.1 . 1 . . . . 95 H N . 15601 1 717 . 1 1 96 96 GLY H H 1 8.422 0.02 . 1 . . . . 96 G H . 15601 1 718 . 1 1 96 96 GLY HA2 H 1 4.086 0.02 . 2 . . . . 96 G HA2 . 15601 1 719 . 1 1 96 96 GLY HA3 H 1 3.891 0.02 . 2 . . . . 96 G HA3 . 15601 1 720 . 1 1 96 96 GLY C C 13 177.420 0.1 . 1 . . . . 96 G CO . 15601 1 721 . 1 1 96 96 GLY CA C 13 47.466 0.1 . 1 . . . . 96 G CA . 15601 1 722 . 1 1 96 96 GLY N N 15 108.060 0.1 . 1 . . . . 96 G N . 15601 1 723 . 1 1 97 97 CYS H H 1 7.940 0.02 . 1 . . . . 97 C H . 15601 1 724 . 1 1 97 97 CYS HA H 1 4.628 0.02 . 1 . . . . 97 C HA . 15601 1 725 . 1 1 97 97 CYS HB2 H 1 3.412 0.02 . 2 . . . . 97 C HB2 . 15601 1 726 . 1 1 97 97 CYS HB3 H 1 2.854 0.02 . 2 . . . . 97 C HB3 . 15601 1 727 . 1 1 97 97 CYS C C 13 176.264 0.1 . 1 . . . . 97 C CO . 15601 1 728 . 1 1 97 97 CYS CA C 13 58.861 0.1 . 1 . . . . 97 C CA . 15601 1 729 . 1 1 97 97 CYS CB C 13 39.852 0.1 . 1 . . . . 97 C CB . 15601 1 730 . 1 1 97 97 CYS N N 15 121.550 0.1 . 1 . . . . 97 C N . 15601 1 731 . 1 1 98 98 GLU H H 1 8.356 0.02 . 1 . . . . 98 E H . 15601 1 732 . 1 1 98 98 GLU HA H 1 3.869 0.02 . 1 . . . . 98 E HA . 15601 1 733 . 1 1 98 98 GLU HB2 H 1 2.118 0.02 . 2 . . . . 98 E HB2 . 15601 1 734 . 1 1 98 98 GLU HB3 H 1 2.364 0.02 . 2 . . . . 98 E HB3 . 15601 1 735 . 1 1 98 98 GLU C C 13 177.679 0.1 . 1 . . . . 98 E CO . 15601 1 736 . 1 1 98 98 GLU CA C 13 59.213 0.1 . 1 . . . . 98 E CA . 15601 1 737 . 1 1 98 98 GLU CB C 13 28.289 0.1 . 1 . . . . 98 E CB . 15601 1 738 . 1 1 98 98 GLU N N 15 118.022 0.1 . 1 . . . . 98 E N . 15601 1 739 . 1 1 99 99 LYS H H 1 7.490 0.02 . 1 . . . . 99 K H . 15601 1 740 . 1 1 99 99 LYS HA H 1 4.285 0.02 . 1 . . . . 99 K HA . 15601 1 741 . 1 1 99 99 LYS HB2 H 1 1.922 0.02 . 2 . . . . 99 K HB2 . 15601 1 742 . 1 1 99 99 LYS HG2 H 1 1.577 0.02 . 2 . . . . 99 K HG2 . 15601 1 743 . 1 1 99 99 LYS C C 13 177.369 0.1 . 1 . . . . 99 K CO . 15601 1 744 . 1 1 99 99 LYS CA C 13 57.395 0.1 . 1 . . . . 99 K CA . 15601 1 745 . 1 1 99 99 LYS CB C 13 33.123 0.1 . 1 . . . . 99 K CB . 15601 1 746 . 1 1 99 99 LYS N N 15 115.420 0.1 . 1 . . . . 99 K N . 15601 1 747 . 1 1 100 100 SER H H 1 7.802 0.02 . 1 . . . . 100 S H . 15601 1 748 . 1 1 100 100 SER HA H 1 4.470 0.02 . 1 . . . . 100 S HA . 15601 1 749 . 1 1 100 100 SER HB2 H 1 3.870 0.02 . 2 . . . . 100 S HB2 . 15601 1 750 . 1 1 100 100 SER HB3 H 1 3.971 0.02 . 2 . . . . 100 S HB3 . 15601 1 751 . 1 1 100 100 SER C C 13 174.754 0.1 . 1 . . . . 100 S CO . 15601 1 752 . 1 1 100 100 SER CA C 13 59.294 0.1 . 1 . . . . 100 S CA . 15601 1 753 . 1 1 100 100 SER CB C 13 64.387 0.1 . 1 . . . . 100 S CB . 15601 1 754 . 1 1 100 100 SER N N 15 113.501 0.1 . 1 . . . . 100 S N . 15601 1 755 . 1 1 101 101 ILE H H 1 7.407 0.02 . 1 . . . . 101 I H . 15601 1 756 . 1 1 101 101 ILE HA H 1 4.466 0.02 . 1 . . . . 101 I HA . 15601 1 757 . 1 1 101 101 ILE HB H 1 1.858 0.02 . 1 . . . . 101 I HB . 15601 1 758 . 1 1 101 101 ILE HG12 H 1 1.008 0.02 . 2 . . . . 101 I HG12 . 15601 1 759 . 1 1 101 101 ILE CA C 13 58.928 0.1 . 1 . . . . 101 I CA . 15601 1 760 . 1 1 101 101 ILE CB C 13 38.285 0.1 . 1 . . . . 101 I CB . 15601 1 761 . 1 1 101 101 ILE N N 15 121.338 0.1 . 1 . . . . 101 I N . 15601 1 762 . 1 1 103 103 PRO HA H 1 4.422 0.02 . 1 . . . . 103 P HA . 15601 1 763 . 1 1 103 103 PRO HB2 H 1 1.782 0.02 . 2 . . . . 103 P HB2 . 15601 1 764 . 1 1 103 103 PRO HB3 H 1 2.210 0.02 . 2 . . . . 103 P HB3 . 15601 1 765 . 1 1 103 103 PRO C C 13 176.331 0.1 . 1 . . . . 103 P CO . 15601 1 766 . 1 1 103 103 PRO CA C 13 63.005 0.1 . 1 . . . . 103 P CA . 15601 1 767 . 1 1 103 103 PRO CB C 13 32.099 0.1 . 1 . . . . 103 P CB . 15601 1 768 . 1 1 104 104 ASN H H 1 8.460 0.02 . 1 . . . . 104 N H . 15601 1 769 . 1 1 104 104 ASN HA H 1 4.639 0.02 . 1 . . . . 104 N HA . 15601 1 770 . 1 1 104 104 ASN HB2 H 1 2.567 0.02 . 2 . . . . 104 N HB2 . 15601 1 771 . 1 1 104 104 ASN C C 13 174.288 0.1 . 1 . . . . 104 N CO . 15601 1 772 . 1 1 104 104 ASN CA C 13 52.639 0.1 . 1 . . . . 104 N CA . 15601 1 773 . 1 1 104 104 ASN CB C 13 42.047 0.1 . 1 . . . . 104 N CB . 15601 1 774 . 1 1 104 104 ASN N N 15 121.624 0.1 . 1 . . . . 104 N N . 15601 1 775 . 1 1 105 105 ASP H H 1 8.714 0.02 . 1 . . . . 105 D H . 15601 1 776 . 1 1 105 105 ASP HA H 1 4.322 0.02 . 1 . . . . 105 D HA . 15601 1 777 . 1 1 105 105 ASP HB2 H 1 2.625 0.02 . 2 . . . . 105 D HB2 . 15601 1 778 . 1 1 105 105 ASP C C 13 175.984 0.1 . 1 . . . . 105 D CO . 15601 1 779 . 1 1 105 105 ASP CA C 13 55.875 0.1 . 1 . . . . 105 D CA . 15601 1 780 . 1 1 105 105 ASP CB C 13 40.354 0.1 . 1 . . . . 105 D CB . 15601 1 781 . 1 1 105 105 ASP N N 15 124.661 0.1 . 1 . . . . 105 D N . 15601 1 782 . 1 1 106 106 ASP H H 1 8.604 0.02 . 1 . . . . 106 D H . 15601 1 783 . 1 1 106 106 ASP HA H 1 4.684 0.02 . 1 . . . . 106 D HA . 15601 1 784 . 1 1 106 106 ASP HB2 H 1 2.542 0.02 . 2 . . . . 106 D HB2 . 15601 1 785 . 1 1 106 106 ASP HB3 H 1 2.865 0.02 . 2 . . . . 106 D HB3 . 15601 1 786 . 1 1 106 106 ASP C C 13 176.340 0.1 . 1 . . . . 106 D CO . 15601 1 787 . 1 1 106 106 ASP CA C 13 52.092 0.1 . 1 . . . . 106 D CA . 15601 1 788 . 1 1 106 106 ASP CB C 13 40.477 0.1 . 1 . . . . 106 D CB . 15601 1 789 . 1 1 106 106 ASP N N 15 118.689 0.1 . 1 . . . . 106 D N . 15601 1 790 . 1 1 107 107 ARG H H 1 8.776 0.02 . 1 . . . . 107 R H . 15601 1 791 . 1 1 107 107 ARG HA H 1 4.104 0.02 . 1 . . . . 107 R HA . 15601 1 792 . 1 1 107 107 ARG HB2 H 1 1.829 0.02 . 2 . . . . 107 R HB2 . 15601 1 793 . 1 1 107 107 ARG HB3 H 1 1.987 0.02 . 2 . . . . 107 R HB3 . 15601 1 794 . 1 1 107 107 ARG C C 13 178.679 0.1 . 1 . . . . 107 R CO . 15601 1 795 . 1 1 107 107 ARG CA C 13 57.647 0.1 . 1 . . . . 107 R CA . 15601 1 796 . 1 1 107 107 ARG CB C 13 29.589 0.1 . 1 . . . . 107 R CB . 15601 1 797 . 1 1 107 107 ARG N N 15 127.585 0.1 . 1 . . . . 107 R N . 15601 1 798 . 1 1 108 108 CYS H H 1 7.996 0.02 . 1 . . . . 108 C H . 15601 1 799 . 1 1 108 108 CYS HA H 1 3.867 0.02 . 1 . . . . 108 C HA . 15601 1 800 . 1 1 108 108 CYS HB2 H 1 3.013 0.02 . 2 . . . . 108 C HB2 . 15601 1 801 . 1 1 108 108 CYS HB3 H 1 3.670 0.02 . 2 . . . . 108 C HB3 . 15601 1 802 . 1 1 108 108 CYS C C 13 176.243 0.1 . 1 . . . . 108 C CO . 15601 1 803 . 1 1 108 108 CYS CA C 13 61.507 0.1 . 1 . . . . 108 C CA . 15601 1 804 . 1 1 108 108 CYS CB C 13 44.076 0.1 . 1 . . . . 108 C CB . 15601 1 805 . 1 1 108 108 CYS N N 15 114.027 0.1 . 1 . . . . 108 C N . 15601 1 806 . 1 1 109 109 MET H H 1 7.052 0.02 . 1 . . . . 109 M H . 15601 1 807 . 1 1 109 109 MET HA H 1 4.422 0.02 . 1 . . . . 109 M HA . 15601 1 808 . 1 1 109 109 MET HB2 H 1 2.006 0.02 . 2 . . . . 109 M HB2 . 15601 1 809 . 1 1 109 109 MET C C 13 178.788 0.1 . 1 . . . . 109 M CO . 15601 1 810 . 1 1 109 109 MET CA C 13 55.861 0.1 . 1 . . . . 109 M CA . 15601 1 811 . 1 1 109 109 MET CB C 13 30.876 0.1 . 1 . . . . 109 M CB . 15601 1 812 . 1 1 109 109 MET N N 15 116.886 0.1 . 1 . . . . 109 M N . 15601 1 813 . 1 1 110 110 GLU H H 1 8.215 0.02 . 1 . . . . 110 E H . 15601 1 814 . 1 1 110 110 GLU HA H 1 4.064 0.02 . 1 . . . . 110 E HA . 15601 1 815 . 1 1 110 110 GLU HB2 H 1 2.148 0.02 . 2 . . . . 110 E HB2 . 15601 1 816 . 1 1 110 110 GLU C C 13 178.566 0.1 . 1 . . . . 110 E CO . 15601 1 817 . 1 1 110 110 GLU CA C 13 59.926 0.1 . 1 . . . . 110 E CA . 15601 1 818 . 1 1 110 110 GLU CB C 13 29.997 0.1 . 1 . . . . 110 E CB . 15601 1 819 . 1 1 110 110 GLU N N 15 121.865 0.1 . 1 . . . . 110 E N . 15601 1 820 . 1 1 111 111 VAL H H 1 8.132 0.02 . 1 . . . . 111 V H . 15601 1 821 . 1 1 111 111 VAL HA H 1 3.565 0.02 . 1 . . . . 111 V HA . 15601 1 822 . 1 1 111 111 VAL HB H 1 2.090 0.02 . 1 . . . . 111 V HB . 15601 1 823 . 1 1 111 111 VAL HG11 H 1 1.016 0.02 . 2 . . . . 111 V HG1 . 15601 1 824 . 1 1 111 111 VAL HG12 H 1 1.016 0.02 . 2 . . . . 111 V HG1 . 15601 1 825 . 1 1 111 111 VAL HG13 H 1 1.016 0.02 . 2 . . . . 111 V HG1 . 15601 1 826 . 1 1 111 111 VAL C C 13 177.496 0.1 . 1 . . . . 111 V CO . 15601 1 827 . 1 1 111 111 VAL CA C 13 66.950 0.1 . 1 . . . . 111 V CA . 15601 1 828 . 1 1 111 111 VAL CB C 13 31.168 0.1 . 1 . . . . 111 V CB . 15601 1 829 . 1 1 111 111 VAL N N 15 116.055 0.1 . 1 . . . . 111 V N . 15601 1 830 . 1 1 112 112 LEU H H 1 7.495 0.02 . 1 . . . . 112 L H . 15601 1 831 . 1 1 112 112 LEU HA H 1 3.761 0.02 . 1 . . . . 112 L HA . 15601 1 832 . 1 1 112 112 LEU HB2 H 1 1.415 0.02 . 2 . . . . 112 L HB2 . 15601 1 833 . 1 1 112 112 LEU HB3 H 1 1.891 0.02 . 2 . . . . 112 L HB3 . 15601 1 834 . 1 1 112 112 LEU C C 13 178.542 0.1 . 1 . . . . 112 L CO . 15601 1 835 . 1 1 112 112 LEU CA C 13 58.191 0.1 . 1 . . . . 112 L CA . 15601 1 836 . 1 1 112 112 LEU CB C 13 42.448 0.1 . 1 . . . . 112 L CB . 15601 1 837 . 1 1 112 112 LEU N N 15 119.726 0.1 . 1 . . . . 112 L N . 15601 1 838 . 1 1 113 113 SER H H 1 8.556 0.02 . 1 . . . . 113 S H . 15601 1 839 . 1 1 113 113 SER HA H 1 4.160 0.02 . 1 . . . . 113 S HA . 15601 1 840 . 1 1 113 113 SER HB2 H 1 3.921 0.02 . 2 . . . . 113 S HB2 . 15601 1 841 . 1 1 113 113 SER C C 13 177.699 0.1 . 1 . . . . 113 S CO . 15601 1 842 . 1 1 113 113 SER CA C 13 62.835 0.1 . 1 . . . . 113 S CA . 15601 1 843 . 1 1 113 113 SER CB C 13 61.754 0.1 . 1 . . . . 113 S CB . 15601 1 844 . 1 1 113 113 SER N N 15 115.181 0.1 . 1 . . . . 113 S N . 15601 1 845 . 1 1 114 114 ILE H H 1 8.375 0.02 . 1 . . . . 114 I H . 15601 1 846 . 1 1 114 114 ILE HA H 1 3.466 0.02 . 1 . . . . 114 I HA . 15601 1 847 . 1 1 114 114 ILE HB H 1 1.986 0.02 . 1 . . . . 114 I HB . 15601 1 848 . 1 1 114 114 ILE HG21 H 1 0.800 0.02 . 1 . . . . 114 I HG2 . 15601 1 849 . 1 1 114 114 ILE HG22 H 1 0.800 0.02 . 1 . . . . 114 I HG2 . 15601 1 850 . 1 1 114 114 ILE HG23 H 1 0.800 0.02 . 1 . . . . 114 I HG2 . 15601 1 851 . 1 1 114 114 ILE C C 13 177.155 0.1 . 1 . . . . 114 I CO . 15601 1 852 . 1 1 114 114 ILE CA C 13 66.641 0.1 . 1 . . . . 114 I CA . 15601 1 853 . 1 1 114 114 ILE CB C 13 38.366 0.1 . 1 . . . . 114 I CB . 15601 1 854 . 1 1 114 114 ILE N N 15 124.912 0.1 . 1 . . . . 114 I N . 15601 1 855 . 1 1 115 115 ALA H H 1 8.479 0.02 . 1 . . . . 115 A H . 15601 1 856 . 1 1 115 115 ALA HA H 1 4.162 0.02 . 1 . . . . 115 A HA . 15601 1 857 . 1 1 115 115 ALA HB1 H 1 1.628 0.02 . 1 . . . . 115 A HB . 15601 1 858 . 1 1 115 115 ALA HB2 H 1 1.628 0.02 . 1 . . . . 115 A HB . 15601 1 859 . 1 1 115 115 ALA HB3 H 1 1.628 0.02 . 1 . . . . 115 A HB . 15601 1 860 . 1 1 115 115 ALA C C 13 179.037 0.1 . 1 . . . . 115 A CO . 15601 1 861 . 1 1 115 115 ALA CA C 13 56.029 0.1 . 1 . . . . 115 A CA . 15601 1 862 . 1 1 115 115 ALA CB C 13 18.641 0.1 . 1 . . . . 115 A CB . 15601 1 863 . 1 1 115 115 ALA N N 15 121.537 0.1 . 1 . . . . 115 A N . 15601 1 864 . 1 1 116 116 MET H H 1 9.067 0.02 . 1 . . . . 116 M H . 15601 1 865 . 1 1 116 116 MET HA H 1 3.978 0.02 . 1 . . . . 116 M HA . 15601 1 866 . 1 1 116 116 MET HB2 H 1 2.199 0.02 . 2 . . . . 116 M HB2 . 15601 1 867 . 1 1 116 116 MET C C 13 178.243 0.1 . 1 . . . . 116 M CO . 15601 1 868 . 1 1 116 116 MET CA C 13 59.510 0.1 . 1 . . . . 116 M CA . 15601 1 869 . 1 1 116 116 MET CB C 13 33.119 0.1 . 1 . . . . 116 M CB . 15601 1 870 . 1 1 116 116 MET N N 15 116.356 0.1 . 1 . . . . 116 M N . 15601 1 871 . 1 1 117 117 CYS H H 1 7.985 0.02 . 1 . . . . 117 C H . 15601 1 872 . 1 1 117 117 CYS HA H 1 4.304 0.02 . 1 . . . . 117 C HA . 15601 1 873 . 1 1 117 117 CYS HB2 H 1 3.314 0.02 . 2 . . . . 117 C HB2 . 15601 1 874 . 1 1 117 117 CYS C C 13 175.535 0.1 . 1 . . . . 117 C CO . 15601 1 875 . 1 1 117 117 CYS CA C 13 59.745 0.1 . 1 . . . . 117 C CA . 15601 1 876 . 1 1 117 117 CYS CB C 13 37.909 0.1 . 1 . . . . 117 C CB . 15601 1 877 . 1 1 117 117 CYS N N 15 120.436 0.1 . 1 . . . . 117 C N . 15601 1 878 . 1 1 118 118 PHE H H 1 8.723 0.02 . 1 . . . . 118 F H . 15601 1 879 . 1 1 118 118 PHE HA H 1 4.252 0.02 . 1 . . . . 118 F HA . 15601 1 880 . 1 1 118 118 PHE HB2 H 1 3.153 0.02 . 2 . . . . 118 F HB2 . 15601 1 881 . 1 1 118 118 PHE C C 13 176.678 0.1 . 1 . . . . 118 F CO . 15601 1 882 . 1 1 118 118 PHE CA C 13 60.102 0.1 . 1 . . . . 118 F CA . 15601 1 883 . 1 1 118 118 PHE CB C 13 40.199 0.1 . 1 . . . . 118 F CB . 15601 1 884 . 1 1 118 118 PHE N N 15 122.854 0.1 . 1 . . . . 118 F N . 15601 1 885 . 1 1 119 119 LYS H H 1 8.578 0.02 . 1 . . . . 119 K H . 15601 1 886 . 1 1 119 119 LYS HA H 1 3.588 0.02 . 1 . . . . 119 K HA . 15601 1 887 . 1 1 119 119 LYS HB2 H 1 1.765 0.02 . 2 . . . . 119 K HB2 . 15601 1 888 . 1 1 119 119 LYS C C 13 178.730 0.1 . 1 . . . . 119 K CO . 15601 1 889 . 1 1 119 119 LYS CA C 13 60.305 0.1 . 1 . . . . 119 K CA . 15601 1 890 . 1 1 119 119 LYS CB C 13 32.343 0.1 . 1 . . . . 119 K CB . 15601 1 891 . 1 1 119 119 LYS N N 15 116.857 0.1 . 1 . . . . 119 K N . 15601 1 892 . 1 1 120 120 LYS H H 1 7.610 0.02 . 1 . . . . 120 K H . 15601 1 893 . 1 1 120 120 LYS HA H 1 3.960 0.02 . 1 . . . . 120 K HA . 15601 1 894 . 1 1 120 120 LYS HB2 H 1 1.966 0.02 . 2 . . . . 120 K HB2 . 15601 1 895 . 1 1 120 120 LYS C C 13 179.441 0.1 . 1 . . . . 120 K CO . 15601 1 896 . 1 1 120 120 LYS CA C 13 59.664 0.1 . 1 . . . . 120 K CA . 15601 1 897 . 1 1 120 120 LYS CB C 13 32.161 0.1 . 1 . . . . 120 K CB . 15601 1 898 . 1 1 120 120 LYS N N 15 118.833 0.1 . 1 . . . . 120 K N . 15601 1 899 . 1 1 121 121 GLU H H 1 8.166 0.02 . 1 . . . . 121 E H . 15601 1 900 . 1 1 121 121 GLU HA H 1 4.158 0.02 . 1 . . . . 121 E HA . 15601 1 901 . 1 1 121 121 GLU HB2 H 1 2.030 0.02 . 2 . . . . 121 E HB2 . 15601 1 902 . 1 1 121 121 GLU HB3 H 1 2.164 0.02 . 2 . . . . 121 E HB3 . 15601 1 903 . 1 1 121 121 GLU C C 13 180.127 0.1 . 1 . . . . 121 E CO . 15601 1 904 . 1 1 121 121 GLU CA C 13 58.333 0.1 . 1 . . . . 121 E CA . 15601 1 905 . 1 1 121 121 GLU CB C 13 29.368 0.1 . 1 . . . . 121 E CB . 15601 1 906 . 1 1 121 121 GLU N N 15 118.318 0.1 . 1 . . . . 121 E N . 15601 1 907 . 1 1 122 122 ILE H H 1 8.084 0.02 . 1 . . . . 122 I H . 15601 1 908 . 1 1 122 122 ILE HA H 1 3.455 0.02 . 1 . . . . 122 I HA . 15601 1 909 . 1 1 122 122 ILE HB H 1 1.643 0.02 . 1 . . . . 122 I HB . 15601 1 910 . 1 1 122 122 ILE C C 13 178.136 0.1 . 1 . . . . 122 I CO . 15601 1 911 . 1 1 122 122 ILE CA C 13 63.774 0.1 . 1 . . . . 122 I CA . 15601 1 912 . 1 1 122 122 ILE CB C 13 37.179 0.1 . 1 . . . . 122 I CB . 15601 1 913 . 1 1 122 122 ILE N N 15 117.735 0.1 . 1 . . . . 122 I N . 15601 1 914 . 1 1 123 123 HIS H H 1 7.531 0.02 . 1 . . . . 123 H H . 15601 1 915 . 1 1 123 123 HIS HA H 1 4.331 0.02 . 1 . . . . 123 H HA . 15601 1 916 . 1 1 123 123 HIS HB2 H 1 3.277 0.02 . 2 . . . . 123 H HB2 . 15601 1 917 . 1 1 123 123 HIS C C 13 175.179 0.1 . 1 . . . . 123 H CO . 15601 1 918 . 1 1 123 123 HIS CA C 13 57.871 0.1 . 1 . . . . 123 H CA . 15601 1 919 . 1 1 123 123 HIS CB C 13 28.008 0.1 . 1 . . . . 123 H CB . 15601 1 920 . 1 1 123 123 HIS N N 15 117.579 0.1 . 1 . . . . 123 H N . 15601 1 921 . 1 1 124 124 ASN H H 1 7.599 0.02 . 1 . . . . 124 N H . 15601 1 922 . 1 1 124 124 ASN HA H 1 4.629 0.02 . 1 . . . . 124 N HA . 15601 1 923 . 1 1 124 124 ASN HB2 H 1 2.764 0.02 . 2 . . . . 124 N HB2 . 15601 1 924 . 1 1 124 124 ASN HB3 H 1 2.941 0.02 . 2 . . . . 124 N HB3 . 15601 1 925 . 1 1 124 124 ASN C C 13 175.774 0.1 . 1 . . . . 124 N CO . 15601 1 926 . 1 1 124 124 ASN CA C 13 53.519 0.1 . 1 . . . . 124 N CA . 15601 1 927 . 1 1 124 124 ASN CB C 13 38.924 0.1 . 1 . . . . 124 N CB . 15601 1 928 . 1 1 124 124 ASN N N 15 114.983 0.1 . 1 . . . . 124 N N . 15601 1 929 . 1 1 125 125 LEU H H 1 7.274 0.02 . 1 . . . . 125 L H . 15601 1 930 . 1 1 125 125 LEU HA H 1 4.196 0.02 . 1 . . . . 125 L HA . 15601 1 931 . 1 1 125 125 LEU HB2 H 1 0.922 0.02 . 2 . . . . 125 L HB2 . 15601 1 932 . 1 1 125 125 LEU HB3 H 1 1.930 0.02 . 2 . . . . 125 L HB3 . 15601 1 933 . 1 1 125 125 LEU HG H 1 1.565 0.02 . 1 . . . . 125 L HG . 15601 1 934 . 1 1 125 125 LEU C C 13 177.147 0.1 . 1 . . . . 125 L CO . 15601 1 935 . 1 1 125 125 LEU CA C 13 54.777 0.1 . 1 . . . . 125 L CA . 15601 1 936 . 1 1 125 125 LEU CB C 13 42.615 0.1 . 1 . . . . 125 L CB . 15601 1 937 . 1 1 125 125 LEU N N 15 119.697 0.1 . 1 . . . . 125 L N . 15601 1 938 . 1 1 126 126 LYS H H 1 8.532 0.02 . 1 . . . . 126 K H . 15601 1 939 . 1 1 126 126 LYS HA H 1 4.112 0.02 . 1 . . . . 126 K HA . 15601 1 940 . 1 1 126 126 LYS HB2 H 1 1.841 0.02 . 2 . . . . 126 K HB2 . 15601 1 941 . 1 1 126 126 LYS C C 13 175.620 0.1 . 1 . . . . 126 K CO . 15601 1 942 . 1 1 126 126 LYS CA C 13 56.854 0.1 . 1 . . . . 126 K CA . 15601 1 943 . 1 1 126 126 LYS CB C 13 31.115 0.1 . 1 . . . . 126 K CB . 15601 1 944 . 1 1 126 126 LYS N N 15 118.789 0.1 . 1 . . . . 126 K N . 15601 1 945 . 1 1 127 127 TRP H H 1 7.276 0.02 . 1 . . . . 127 W H . 15601 1 946 . 1 1 127 127 TRP HA H 1 4.758 0.02 . 1 . . . . 127 W HA . 15601 1 947 . 1 1 127 127 TRP HB2 H 1 3.138 0.02 . 2 . . . . 127 W HB2 . 15601 1 948 . 1 1 127 127 TRP C C 13 173.587 0.1 . 1 . . . . 127 W CO . 15601 1 949 . 1 1 127 127 TRP CA C 13 54.708 0.1 . 1 . . . . 127 W CA . 15601 1 950 . 1 1 127 127 TRP CB C 13 30.360 0.1 . 1 . . . . 127 W CB . 15601 1 951 . 1 1 127 127 TRP N N 15 118.058 0.1 . 1 . . . . 127 W N . 15601 1 952 . 1 1 128 128 ALA H H 1 8.418 0.02 . 1 . . . . 128 A H . 15601 1 953 . 1 1 128 128 ALA HA H 1 4.629 0.02 . 1 . . . . 128 A HA . 15601 1 954 . 1 1 128 128 ALA HB1 H 1 1.185 0.02 . 1 . . . . 128 A HB . 15601 1 955 . 1 1 128 128 ALA HB2 H 1 1.185 0.02 . 1 . . . . 128 A HB . 15601 1 956 . 1 1 128 128 ALA HB3 H 1 1.185 0.02 . 1 . . . . 128 A HB . 15601 1 957 . 1 1 128 128 ALA CA C 13 49.083 0.1 . 1 . . . . 128 A CA . 15601 1 958 . 1 1 128 128 ALA CB C 13 19.115 0.1 . 1 . . . . 128 A CB . 15601 1 959 . 1 1 128 128 ALA N N 15 123.926 0.1 . 1 . . . . 128 A N . 15601 1 960 . 1 1 129 129 PRO HA H 1 4.306 0.02 . 1 . . . . 129 P HA . 15601 1 961 . 1 1 129 129 PRO HB2 H 1 1.748 0.02 . 2 . . . . 129 P HB2 . 15601 1 962 . 1 1 129 129 PRO HB3 H 1 2.031 0.02 . 2 . . . . 129 P HB3 . 15601 1 963 . 1 1 129 129 PRO C C 13 175.653 0.1 . 1 . . . . 129 P CO . 15601 1 964 . 1 1 129 129 PRO CA C 13 61.599 0.1 . 1 . . . . 129 P CA . 15601 1 965 . 1 1 129 129 PRO CB C 13 31.629 0.1 . 1 . . . . 129 P CB . 15601 1 966 . 1 1 130 130 ASN H H 1 8.437 0.02 . 1 . . . . 130 N H . 15601 1 967 . 1 1 130 130 ASN HA H 1 4.579 0.02 . 1 . . . . 130 N HA . 15601 1 968 . 1 1 130 130 ASN HB2 H 1 2.984 0.02 . 2 . . . . 130 N HB2 . 15601 1 969 . 1 1 130 130 ASN C C 13 176.575 0.1 . 1 . . . . 130 N CO . 15601 1 970 . 1 1 130 130 ASN CA C 13 52.981 0.1 . 1 . . . . 130 N CA . 15601 1 971 . 1 1 130 130 ASN CB C 13 39.063 0.1 . 1 . . . . 130 N CB . 15601 1 972 . 1 1 130 130 ASN N N 15 119.194 0.1 . 1 . . . . 130 N N . 15601 1 973 . 1 1 131 131 MET H H 1 8.965 0.02 . 1 . . . . 131 M H . 15601 1 974 . 1 1 131 131 MET HA H 1 4.059 0.02 . 1 . . . . 131 M HA . 15601 1 975 . 1 1 131 131 MET HB2 H 1 2.424 0.02 . 2 . . . . 131 M HB2 . 15601 1 976 . 1 1 131 131 MET C C 13 177.510 0.1 . 1 . . . . 131 M CO . 15601 1 977 . 1 1 131 131 MET CA C 13 58.460 0.1 . 1 . . . . 131 M CA . 15601 1 978 . 1 1 131 131 MET CB C 13 32.412 0.1 . 1 . . . . 131 M CB . 15601 1 979 . 1 1 131 131 MET N N 15 122.021 0.1 . 1 . . . . 131 M N . 15601 1 980 . 1 1 132 132 GLU H H 1 9.079 0.02 . 1 . . . . 132 E H . 15601 1 981 . 1 1 132 132 GLU HA H 1 3.820 0.02 . 1 . . . . 132 E HA . 15601 1 982 . 1 1 132 132 GLU HB2 H 1 1.794 0.02 . 2 . . . . 132 E HB2 . 15601 1 983 . 1 1 132 132 GLU HB3 H 1 2.026 0.02 . 2 . . . . 132 E HB3 . 15601 1 984 . 1 1 132 132 GLU C C 13 178.543 0.1 . 1 . . . . 132 E CO . 15601 1 985 . 1 1 132 132 GLU CA C 13 60.754 0.1 . 1 . . . . 132 E CA . 15601 1 986 . 1 1 132 132 GLU CB C 13 28.363 0.1 . 1 . . . . 132 E CB . 15601 1 987 . 1 1 132 132 GLU N N 15 116.800 0.1 . 1 . . . . 132 E N . 15601 1 988 . 1 1 133 133 VAL H H 1 7.634 0.02 . 1 . . . . 133 V H . 15601 1 989 . 1 1 133 133 VAL HA H 1 3.578 0.02 . 1 . . . . 133 V HA . 15601 1 990 . 1 1 133 133 VAL HB H 1 2.351 0.02 . 1 . . . . 133 V HB . 15601 1 991 . 1 1 133 133 VAL C C 13 176.829 0.1 . 1 . . . . 133 V CO . 15601 1 992 . 1 1 133 133 VAL CA C 13 67.007 0.1 . 1 . . . . 133 V CA . 15601 1 993 . 1 1 133 133 VAL CB C 13 31.373 0.1 . 1 . . . . 133 V CB . 15601 1 994 . 1 1 133 133 VAL N N 15 118.564 0.1 . 1 . . . . 133 V N . 15601 1 995 . 1 1 134 134 VAL H H 1 7.465 0.02 . 1 . . . . 134 V H . 15601 1 996 . 1 1 134 134 VAL HA H 1 3.415 0.02 . 1 . . . . 134 V HA . 15601 1 997 . 1 1 134 134 VAL HB H 1 2.210 0.02 . 1 . . . . 134 V HB . 15601 1 998 . 1 1 134 134 VAL HG11 H 1 0.875 0.02 . 2 . . . . 134 V HG1 . 15601 1 999 . 1 1 134 134 VAL HG12 H 1 0.875 0.02 . 2 . . . . 134 V HG1 . 15601 1 1000 . 1 1 134 134 VAL HG13 H 1 0.875 0.02 . 2 . . . . 134 V HG1 . 15601 1 1001 . 1 1 134 134 VAL C C 13 176.807 0.1 . 1 . . . . 134 V CO . 15601 1 1002 . 1 1 134 134 VAL CA C 13 67.792 0.1 . 1 . . . . 134 V CA . 15601 1 1003 . 1 1 134 134 VAL CB C 13 31.789 0.1 . 1 . . . . 134 V CB . 15601 1 1004 . 1 1 134 134 VAL N N 15 119.736 0.1 . 1 . . . . 134 V N . 15601 1 1005 . 1 1 135 135 VAL H H 1 7.885 0.02 . 1 . . . . 135 V H . 15601 1 1006 . 1 1 135 135 VAL HA H 1 2.588 0.02 . 1 . . . . 135 V HA . 15601 1 1007 . 1 1 135 135 VAL HB H 1 1.389 0.02 . 1 . . . . 135 V HB . 15601 1 1008 . 1 1 135 135 VAL C C 13 178.428 0.1 . 1 . . . . 135 V CO . 15601 1 1009 . 1 1 135 135 VAL CA C 13 66.252 0.1 . 1 . . . . 135 V CA . 15601 1 1010 . 1 1 135 135 VAL CB C 13 31.069 0.1 . 1 . . . . 135 V CB . 15601 1 1011 . 1 1 135 135 VAL N N 15 115.415 0.1 . 1 . . . . 135 V N . 15601 1 1012 . 1 1 136 136 GLY H H 1 8.302 0.02 . 1 . . . . 136 G H . 15601 1 1013 . 1 1 136 136 GLY HA2 H 1 3.502 0.02 . 2 . . . . 136 G HA2 . 15601 1 1014 . 1 1 136 136 GLY HA3 H 1 3.204 0.02 . 2 . . . . 136 G HA3 . 15601 1 1015 . 1 1 136 136 GLY C C 13 174.081 0.1 . 1 . . . . 136 G CO . 15601 1 1016 . 1 1 136 136 GLY CA C 13 47.613 0.1 . 1 . . . . 136 G CA . 15601 1 1017 . 1 1 136 136 GLY N N 15 105.554 0.1 . 1 . . . . 136 G N . 15601 1 1018 . 1 1 137 137 GLU H H 1 8.136 0.02 . 1 . . . . 137 E H . 15601 1 1019 . 1 1 137 137 GLU HA H 1 3.776 0.02 . 1 . . . . 137 E HA . 15601 1 1020 . 1 1 137 137 GLU HB2 H 1 1.818 0.02 . 2 . . . . 137 E HB2 . 15601 1 1021 . 1 1 137 137 GLU HB3 H 1 2.142 0.02 . 2 . . . . 137 E HB3 . 15601 1 1022 . 1 1 137 137 GLU C C 13 177.711 0.1 . 1 . . . . 137 E CO . 15601 1 1023 . 1 1 137 137 GLU CA C 13 58.873 0.1 . 1 . . . . 137 E CA . 15601 1 1024 . 1 1 137 137 GLU CB C 13 27.562 0.1 . 1 . . . . 137 E CB . 15601 1 1025 . 1 1 137 137 GLU N N 15 116.898 0.1 . 1 . . . . 137 E N . 15601 1 1026 . 1 1 138 138 VAL H H 1 7.215 0.02 . 1 . . . . 138 V H . 15601 1 1027 . 1 1 138 138 VAL HA H 1 3.288 0.02 . 1 . . . . 138 V HA . 15601 1 1028 . 1 1 138 138 VAL HB H 1 2.320 0.02 . 1 . . . . 138 V HB . 15601 1 1029 . 1 1 138 138 VAL HG11 H 1 0.964 0.02 . 2 . . . . 138 V HG1 . 15601 1 1030 . 1 1 138 138 VAL HG12 H 1 0.964 0.02 . 2 . . . . 138 V HG1 . 15601 1 1031 . 1 1 138 138 VAL HG13 H 1 0.964 0.02 . 2 . . . . 138 V HG1 . 15601 1 1032 . 1 1 138 138 VAL C C 13 177.686 0.1 . 1 . . . . 138 V CO . 15601 1 1033 . 1 1 138 138 VAL CA C 13 66.948 0.1 . 1 . . . . 138 V CA . 15601 1 1034 . 1 1 138 138 VAL CB C 13 31.400 0.1 . 1 . . . . 138 V CB . 15601 1 1035 . 1 1 138 138 VAL N N 15 116.186 0.1 . 1 . . . . 138 V N . 15601 1 1036 . 1 1 139 139 LEU H H 1 8.447 0.02 . 1 . . . . 139 L H . 15601 1 1037 . 1 1 139 139 LEU HA H 1 3.743 0.02 . 1 . . . . 139 L HA . 15601 1 1038 . 1 1 139 139 LEU HB2 H 1 1.104 0.02 . 2 . . . . 139 L HB2 . 15601 1 1039 . 1 1 139 139 LEU HB3 H 1 1.732 0.02 . 2 . . . . 139 L HB3 . 15601 1 1040 . 1 1 139 139 LEU C C 13 178.031 0.1 . 1 . . . . 139 L CO . 15601 1 1041 . 1 1 139 139 LEU CA C 13 57.475 0.1 . 1 . . . . 139 L CA . 15601 1 1042 . 1 1 139 139 LEU CB C 13 41.369 0.1 . 1 . . . . 139 L CB . 15601 1 1043 . 1 1 139 139 LEU N N 15 114.732 0.1 . 1 . . . . 139 L N . 15601 1 1044 . 1 1 140 140 ALA H H 1 7.820 0.02 . 1 . . . . 140 A H . 15601 1 1045 . 1 1 140 140 ALA HA H 1 3.963 0.02 . 1 . . . . 140 A HA . 15601 1 1046 . 1 1 140 140 ALA HB1 H 1 1.417 0.02 . 1 . . . . 140 A HB . 15601 1 1047 . 1 1 140 140 ALA HB2 H 1 1.417 0.02 . 1 . . . . 140 A HB . 15601 1 1048 . 1 1 140 140 ALA HB3 H 1 1.417 0.02 . 1 . . . . 140 A HB . 15601 1 1049 . 1 1 140 140 ALA C C 13 178.385 0.1 . 1 . . . . 140 A CO . 15601 1 1050 . 1 1 140 140 ALA CA C 13 54.052 0.1 . 1 . . . . 140 A CA . 15601 1 1051 . 1 1 140 140 ALA CB C 13 20.169 0.1 . 1 . . . . 140 A CB . 15601 1 1052 . 1 1 140 140 ALA N N 15 115.587 0.1 . 1 . . . . 140 A N . 15601 1 1053 . 1 1 141 141 GLU H H 1 7.335 0.02 . 1 . . . . 141 E H . 15601 1 1054 . 1 1 141 141 GLU HA H 1 4.359 0.02 . 1 . . . . 141 E HA . 15601 1 1055 . 1 1 141 141 GLU HB2 H 1 1.700 0.02 . 2 . . . . 141 E HB2 . 15601 1 1056 . 1 1 141 141 GLU HB3 H 1 2.260 0.02 . 2 . . . . 141 E HB3 . 15601 1 1057 . 1 1 141 141 GLU C C 13 176.988 0.1 . 1 . . . . 141 E CO . 15601 1 1058 . 1 1 141 141 GLU CA C 13 56.167 0.1 . 1 . . . . 141 E CA . 15601 1 1059 . 1 1 141 141 GLU CB C 13 31.621 0.1 . 1 . . . . 141 E CB . 15601 1 1060 . 1 1 141 141 GLU N N 15 114.655 0.1 . 1 . . . . 141 E N . 15601 1 1061 . 1 1 142 142 VAL H H 1 7.407 0.02 . 1 . . . . 142 V H . 15601 1 1062 . 1 1 142 142 VAL HA H 1 4.228 0.02 . 1 . . . . 142 V HA . 15601 1 1063 . 1 1 142 142 VAL CA C 13 63.033 0.1 . 1 . . . . 142 V CA . 15601 1 1064 . 1 1 142 142 VAL CB C 13 32.399 0.1 . 1 . . . . 142 V CB . 15601 1 1065 . 1 1 142 142 VAL N N 15 118.017 0.1 . 1 . . . . 142 V N . 15601 1 stop_ save_