data_16007 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16007 _Entry.Title ; NMR structure of the protein TM1367 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-10-27 _Entry.Accession_date 2008-10-27 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.125 _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 Biswaranjan Mohanty . . . 16007 2 Bill Pedrini . . . 16007 3 Pedro Serrano . . . 16007 4 Michel Geralt . . . 16007 5 Reto Horst . . . 16007 6 Ian Wilson . . . 16007 7 Kurt Wuthrich . . . 16007 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'PSI, Protein Structure Initiative' 'Joint Center for Structural Genomics' . 16007 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Joint Center for Structural Genomics' . 16007 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16007 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 439 16007 '15N chemical shifts' 126 16007 '1H chemical shifts' 920 16007 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 3 . . 2011-05-19 2008-10-27 update BMRB "update entry citation, and column of '_Atom_chem_shift.Entity_assembly_ID'" 16007 2 . . 2010-06-02 2008-10-27 update BMRB 'edit assembly name' 16007 1 . . 2009-04-14 2008-10-27 original author 'original release' 16007 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KA0 'BMRB Entry Tracking System' 16007 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16007 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20944235 _Citation.Full_citation . _Citation.Title 'Comparison of NMR and crystal structures for the proteins TM1112 and TM1367.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun.' _Citation.Journal_name_full 'Acta crystallographica. Section F, Structural biology and crystallization communications' _Citation.Journal_volume 66 _Citation.Journal_issue 'Pt 10' _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 1381 _Citation.Page_last 1392 _Citation.Year 2010 _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 Biswaranjan Mohanty . . . 16007 1 2 Pedro Serrano . . . 16007 1 3 Bill Pedrini . . . 16007 1 4 Kristaps Jaudzems . . . 16007 1 5 Michael Geralt . . . 16007 1 6 Reto Horst . . . 16007 1 7 Torsten Herrmann . . . 16007 1 8 'Marc Andre' Elsliger . . . 16007 1 9 Ian Wilson . A. . 16007 1 10 Kurt Wuthrich . . . 16007 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Thermotoga Maritima' 16007 1 TM1367 16007 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16007 _Assembly.ID 1 _Assembly.Name TM1367 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 TM1367 1 $TM1367 A . yes native no no . . . 16007 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TM1367 _Entity.Sf_category entity _Entity.Sf_framecode TM1367 _Entity.Entry_ID 16007 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TM1367 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MRVELLFESGKCVIDLNEEY EVVKLLKEKIPFESVVNTWG EEIYFSTPVNVQKMENPREV VEIGDVGYWPPGKALCLFFG KTPMSDDKIQPASAVNVIGK IVEGLEDLKKIKDGEKVAVR FASS ; _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 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13923 _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 1ZX8 . "Crystal Structure Of An Atypical Cyclophilin (Peptidylprolyl Cis-Trans Isomerase) (Tm1367) From Thermotoga Maritima At 1.90 A R" . . . . . 99.19 136 98.37 98.37 1.35e-79 . . . . 16007 1 2 no PDB 2KA0 . "Nmr Structure Of The Protein Tm1367" . . . . . 100.00 124 100.00 100.00 4.35e-82 . . . . 16007 1 3 no GB AAD36437 . "conserved hypothetical protein [Thermotoga maritima MSB8]" . . . . . 100.00 124 100.00 100.00 4.35e-82 . . . . 16007 1 4 no GB ABQ47429 . "protein of unknown function DUF369 [Thermotoga petrophila RKU-1]" . . . . . 100.00 124 99.19 100.00 8.01e-82 . . . . 16007 1 5 no GB ACB09806 . "protein of unknown function DUF369 [Thermotoga sp. RQ2]" . . . . . 100.00 124 99.19 100.00 8.19e-82 . . . . 16007 1 6 no GB ADA67518 . "protein of unknown function DUF369 [Thermotoga naphthophila RKU-10]" . . . . . 100.00 124 99.19 100.00 8.19e-82 . . . . 16007 1 7 no GB AGL50298 . "DUF369 domain-containing protein [Thermotoga maritima MSB8]" . . . . . 100.00 124 100.00 100.00 4.35e-82 . . . . 16007 1 8 no REF NP_229168 . "hypothetical protein TM1367 [Thermotoga maritima MSB8]" . . . . . 100.00 124 100.00 100.00 4.35e-82 . . . . 16007 1 9 no REF WP_004081563 . "hypothetical protein [Thermotoga maritima]" . . . . . 100.00 124 100.00 100.00 4.35e-82 . . . . 16007 1 10 no REF WP_011943885 . "hypothetical protein [Thermotoga petrophila]" . . . . . 100.00 124 99.19 100.00 8.01e-82 . . . . 16007 1 11 no REF WP_012311149 . "MULTISPECIES: hypothetical protein [Thermotoga]" . . . . . 100.00 124 99.19 100.00 8.19e-82 . . . . 16007 1 12 no REF WP_038034479 . "MULTISPECIES: hypothetical protein [Thermotoga]" . . . . . 100.00 124 97.58 99.19 7.19e-80 . . . . 16007 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 . MET . 16007 1 2 . ARG . 16007 1 3 . VAL . 16007 1 4 . GLU . 16007 1 5 . LEU . 16007 1 6 . LEU . 16007 1 7 . PHE . 16007 1 8 . GLU . 16007 1 9 . SER . 16007 1 10 . GLY . 16007 1 11 . LYS . 16007 1 12 . CYS . 16007 1 13 . VAL . 16007 1 14 . ILE . 16007 1 15 . ASP . 16007 1 16 . LEU . 16007 1 17 . ASN . 16007 1 18 . GLU . 16007 1 19 . GLU . 16007 1 20 . TYR . 16007 1 21 . GLU . 16007 1 22 . VAL . 16007 1 23 . VAL . 16007 1 24 . LYS . 16007 1 25 . LEU . 16007 1 26 . LEU . 16007 1 27 . LYS . 16007 1 28 . GLU . 16007 1 29 . LYS . 16007 1 30 . ILE . 16007 1 31 . PRO . 16007 1 32 . PHE . 16007 1 33 . GLU . 16007 1 34 . SER . 16007 1 35 . VAL . 16007 1 36 . VAL . 16007 1 37 . ASN . 16007 1 38 . THR . 16007 1 39 . TRP . 16007 1 40 . GLY . 16007 1 41 . GLU . 16007 1 42 . GLU . 16007 1 43 . ILE . 16007 1 44 . TYR . 16007 1 45 . PHE . 16007 1 46 . SER . 16007 1 47 . THR . 16007 1 48 . PRO . 16007 1 49 . VAL . 16007 1 50 . ASN . 16007 1 51 . VAL . 16007 1 52 . GLN . 16007 1 53 . LYS . 16007 1 54 . MET . 16007 1 55 . GLU . 16007 1 56 . ASN . 16007 1 57 . PRO . 16007 1 58 . ARG . 16007 1 59 . GLU . 16007 1 60 . VAL . 16007 1 61 . VAL . 16007 1 62 . GLU . 16007 1 63 . ILE . 16007 1 64 . GLY . 16007 1 65 . ASP . 16007 1 66 . VAL . 16007 1 67 . GLY . 16007 1 68 . TYR . 16007 1 69 . TRP . 16007 1 70 . PRO . 16007 1 71 . PRO . 16007 1 72 . GLY . 16007 1 73 . LYS . 16007 1 74 . ALA . 16007 1 75 . LEU . 16007 1 76 . CYS . 16007 1 77 . LEU . 16007 1 78 . PHE . 16007 1 79 . PHE . 16007 1 80 . GLY . 16007 1 81 . LYS . 16007 1 82 . THR . 16007 1 83 . PRO . 16007 1 84 . MET . 16007 1 85 . SER . 16007 1 86 . ASP . 16007 1 87 . ASP . 16007 1 88 . LYS . 16007 1 89 . ILE . 16007 1 90 . GLN . 16007 1 91 . PRO . 16007 1 92 . ALA . 16007 1 93 . SER . 16007 1 94 . ALA . 16007 1 95 . VAL . 16007 1 96 . ASN . 16007 1 97 . VAL . 16007 1 98 . ILE . 16007 1 99 . GLY . 16007 1 100 . LYS . 16007 1 101 . ILE . 16007 1 102 . VAL . 16007 1 103 . GLU . 16007 1 104 . GLY . 16007 1 105 . LEU . 16007 1 106 . GLU . 16007 1 107 . ASP . 16007 1 108 . LEU . 16007 1 109 . LYS . 16007 1 110 . LYS . 16007 1 111 . ILE . 16007 1 112 . LYS . 16007 1 113 . ASP . 16007 1 114 . GLY . 16007 1 115 . GLU . 16007 1 116 . LYS . 16007 1 117 . VAL . 16007 1 118 . ALA . 16007 1 119 . VAL . 16007 1 120 . ARG . 16007 1 121 . PHE . 16007 1 122 . ALA . 16007 1 123 . SER . 16007 1 124 . SER . 16007 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 . MET 1 1 16007 1 . ARG 2 2 16007 1 . VAL 3 3 16007 1 . GLU 4 4 16007 1 . LEU 5 5 16007 1 . LEU 6 6 16007 1 . PHE 7 7 16007 1 . GLU 8 8 16007 1 . SER 9 9 16007 1 . GLY 10 10 16007 1 . LYS 11 11 16007 1 . CYS 12 12 16007 1 . VAL 13 13 16007 1 . ILE 14 14 16007 1 . ASP 15 15 16007 1 . LEU 16 16 16007 1 . ASN 17 17 16007 1 . GLU 18 18 16007 1 . GLU 19 19 16007 1 . TYR 20 20 16007 1 . GLU 21 21 16007 1 . VAL 22 22 16007 1 . VAL 23 23 16007 1 . LYS 24 24 16007 1 . LEU 25 25 16007 1 . LEU 26 26 16007 1 . LYS 27 27 16007 1 . GLU 28 28 16007 1 . LYS 29 29 16007 1 . ILE 30 30 16007 1 . PRO 31 31 16007 1 . PHE 32 32 16007 1 . GLU 33 33 16007 1 . SER 34 34 16007 1 . VAL 35 35 16007 1 . VAL 36 36 16007 1 . ASN 37 37 16007 1 . THR 38 38 16007 1 . TRP 39 39 16007 1 . GLY 40 40 16007 1 . GLU 41 41 16007 1 . GLU 42 42 16007 1 . ILE 43 43 16007 1 . TYR 44 44 16007 1 . PHE 45 45 16007 1 . SER 46 46 16007 1 . THR 47 47 16007 1 . PRO 48 48 16007 1 . VAL 49 49 16007 1 . ASN 50 50 16007 1 . VAL 51 51 16007 1 . GLN 52 52 16007 1 . LYS 53 53 16007 1 . MET 54 54 16007 1 . GLU 55 55 16007 1 . ASN 56 56 16007 1 . PRO 57 57 16007 1 . ARG 58 58 16007 1 . GLU 59 59 16007 1 . VAL 60 60 16007 1 . VAL 61 61 16007 1 . GLU 62 62 16007 1 . ILE 63 63 16007 1 . GLY 64 64 16007 1 . ASP 65 65 16007 1 . VAL 66 66 16007 1 . GLY 67 67 16007 1 . TYR 68 68 16007 1 . TRP 69 69 16007 1 . PRO 70 70 16007 1 . PRO 71 71 16007 1 . GLY 72 72 16007 1 . LYS 73 73 16007 1 . ALA 74 74 16007 1 . LEU 75 75 16007 1 . CYS 76 76 16007 1 . LEU 77 77 16007 1 . PHE 78 78 16007 1 . PHE 79 79 16007 1 . GLY 80 80 16007 1 . LYS 81 81 16007 1 . THR 82 82 16007 1 . PRO 83 83 16007 1 . MET 84 84 16007 1 . SER 85 85 16007 1 . ASP 86 86 16007 1 . ASP 87 87 16007 1 . LYS 88 88 16007 1 . ILE 89 89 16007 1 . GLN 90 90 16007 1 . PRO 91 91 16007 1 . ALA 92 92 16007 1 . SER 93 93 16007 1 . ALA 94 94 16007 1 . VAL 95 95 16007 1 . ASN 96 96 16007 1 . VAL 97 97 16007 1 . ILE 98 98 16007 1 . GLY 99 99 16007 1 . LYS 100 100 16007 1 . ILE 101 101 16007 1 . VAL 102 102 16007 1 . GLU 103 103 16007 1 . GLY 104 104 16007 1 . LEU 105 105 16007 1 . GLU 106 106 16007 1 . ASP 107 107 16007 1 . LEU 108 108 16007 1 . LYS 109 109 16007 1 . LYS 110 110 16007 1 . ILE 111 111 16007 1 . LYS 112 112 16007 1 . ASP 113 113 16007 1 . GLY 114 114 16007 1 . GLU 115 115 16007 1 . LYS 116 116 16007 1 . VAL 117 117 16007 1 . ALA 118 118 16007 1 . VAL 119 119 16007 1 . ARG 120 120 16007 1 . PHE 121 121 16007 1 . ALA 122 122 16007 1 . SER 123 123 16007 1 . SER 124 124 16007 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 16007 _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 $TM1367 . 2336 organism . 'Thermotoga maritima' 'Thermotoga maritima' . . Bacteria thermotogae Thermotoga maritima . . . . . . . . . . . . . . . . . . . . . 16007 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 16007 _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 $TM1367 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Rosseta DE3' . . . . . . . . . . . . . . . pET25b . . . . . . 16007 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16007 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DTT 'natural abundance' . . . . . . 0.5 . . mM . . . . 16007 1 2 D10-DTT 'natural abundance' . . . . . . 4.5 . . mM . . . . 16007 1 3 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 16007 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16007 1 5 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 16007 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16007 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16007 1 8 TM1367 '[U-98% 13C; U-98% 15N]' . . 1 $TM1367 . . 1.5 . . mM . . . . 16007 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 16007 _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' 0.2 . M 16007 1 pH 6.0 . pH 16007 1 pressure 1 . atm 16007 1 temperature 298 . K 16007 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16007 _Software.ID 1 _Software.Name CYANA _Software.Version CYANA3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16007 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16007 1 stop_ save_ save_OPAL _Software.Sf_category software _Software.Sf_framecode OPAL _Software.Entry_ID 16007 _Software.ID 2 _Software.Name OPAL _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 16007 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16007 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16007 _Software.ID 3 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 16007 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16007 3 stop_ save_ save_MOLMOL _Software.Sf_category software _Software.Sf_framecode MOLMOL _Software.Entry_ID 16007 _Software.ID 4 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 16007 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16007 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16007 _Software.ID 5 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16007 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16007 5 stop_ save_ save_ASCAN _Software.Sf_category software _Software.Sf_framecode ASCAN _Software.Entry_ID 16007 _Software.ID 6 _Software.Name ASCAN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(ASCAN)-Fiorito,Herrmann,Damberger and Wuthrich' . . 16007 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16007 6 stop_ save_ save_MATCH _Software.Sf_category software _Software.Sf_framecode MATCH _Software.Entry_ID 16007 _Software.ID 7 _Software.Name MATCH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(MATCH)-Volk, Herrmann and K. Wuthrich' . . 16007 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16007 7 stop_ save_ save_ATNOS-CANDID _Software.Sf_category software _Software.Sf_framecode ATNOS-CANDID _Software.Entry_ID 16007 _Software.ID 8 _Software.Name ATHNOS-CANDID _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 16007 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16007 8 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 16007 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16007 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16007 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 16007 _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 Avance . 800 . . . 16007 1 2 spectrometer_2 Bruker Avance . 600 . . . 16007 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 16007 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D [15N,1H] HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16007 1 2 '2D [13C,1H] HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16007 1 3 '3D 15N - resolved [1H,1H] NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16007 1 4 '3D 13C-resolved [1H,1H] NOESY, aliphatic 13C' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16007 1 5 '3D 13C-resolved [1H,1H] NOESY, aromatic 13C' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16007 1 6 4D-APSY-HACANH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16007 1 7 5D-APSY-HACACONH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16007 1 8 5D-APSY-CBCACONH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16007 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 16007 _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 na indirect 0.251449530 . . . . . . . . . 16007 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 16007 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . . . . . 16007 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 16007 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D [15N,1H] HSQC' . . . 16007 1 2 '2D [13C,1H] HSQC' . . . 16007 1 3 '3D 15N - resolved [1H,1H] NOESY' . . . 16007 1 4 '3D 13C-resolved [1H,1H] NOESY, aliphatic 13C' . . . 16007 1 5 '3D 13C-resolved [1H,1H] NOESY, aromatic 13C' . . . 16007 1 6 4D-APSY-HACANH . . . 16007 1 7 5D-APSY-HACACONH . . . 16007 1 8 5D-APSY-CBCACONH . . . 16007 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $CARA . . 16007 1 6 $ASCAN . . 16007 1 7 $MATCH . . 16007 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 MET HA H 1 4.079 0.01 . 1 . . . . 1 M HA . 16007 1 2 . 1 1 1 1 MET HB2 H 1 2.250 0.01 . 2 . . . . 1 M QB . 16007 1 3 . 1 1 1 1 MET HB3 H 1 2.250 0.01 . 2 . . . . 1 M QB . 16007 1 4 . 1 1 1 1 MET HE1 H 1 1.916 0.01 . 1 . . . . 1 M HE . 16007 1 5 . 1 1 1 1 MET HE2 H 1 1.916 0.01 . 1 . . . . 1 M HE . 16007 1 6 . 1 1 1 1 MET HE3 H 1 1.916 0.01 . 1 . . . . 1 M HE . 16007 1 7 . 1 1 1 1 MET HG2 H 1 2.664 0.01 . 2 . . . . 1 M HG2 . 16007 1 8 . 1 1 1 1 MET HG3 H 1 2.254 0.01 . 2 . . . . 1 M HG3 . 16007 1 9 . 1 1 1 1 MET C C 13 172.070 0.080 . 1 . . . . 1 MET C . 16007 1 10 . 1 1 1 1 MET CA C 13 55.140 0.2 . 1 . . . . 1 M CA . 16007 1 11 . 1 1 1 1 MET CB C 13 33.902 0.2 . 1 . . . . 1 M CB . 16007 1 12 . 1 1 1 1 MET CE C 13 17.753 0.2 . 1 . . . . 1 M CE . 16007 1 13 . 1 1 1 1 MET CG C 13 31.012 0.2 . 1 . . . . 1 M CG . 16007 1 14 . 1 1 2 2 ARG H H 1 9.247 0.01 . 1 . . . . 2 R H . 16007 1 15 . 1 1 2 2 ARG HA H 1 5.249 0.01 . 1 . . . . 2 R HA . 16007 1 16 . 1 1 2 2 ARG HB2 H 1 1.769 0.01 . 2 . . . . 2 R HB2 . 16007 1 17 . 1 1 2 2 ARG HB3 H 1 1.541 0.01 . 2 . . . . 2 R HB3 . 16007 1 18 . 1 1 2 2 ARG HD2 H 1 3.071 0.01 . 2 . . . . 2 R HD2 . 16007 1 19 . 1 1 2 2 ARG HD3 H 1 3.272 0.01 . 2 . . . . 2 R HD3 . 16007 1 20 . 1 1 2 2 ARG HE H 1 7.691 0.01 . 1 . . . . 2 R HE . 16007 1 21 . 1 1 2 2 ARG HG2 H 1 1.689 0.01 . 2 . . . . 2 R HG2 . 16007 1 22 . 1 1 2 2 ARG HG3 H 1 1.345 0.01 . 2 . . . . 2 R HG3 . 16007 1 23 . 1 1 2 2 ARG C C 13 176.020 0.080 . 1 . . . . 2 ARG C . 16007 1 24 . 1 1 2 2 ARG CA C 13 56.360 0.2 . 1 . . . . 2 R CA . 16007 1 25 . 1 1 2 2 ARG CB C 13 31.953 0.2 . 1 . . . . 2 R CB . 16007 1 26 . 1 1 2 2 ARG CD C 13 43.563 0.2 . 1 . . . . 2 R CD . 16007 1 27 . 1 1 2 2 ARG CG C 13 28.412 0.2 . 1 . . . . 2 R CG . 16007 1 28 . 1 1 2 2 ARG N N 15 129.420 0.2 . 1 . . . . 2 R N . 16007 1 29 . 1 1 2 2 ARG NE N 15 83.081 0.2 . 1 . . . . 2 R NE . 16007 1 30 . 1 1 3 3 VAL H H 1 9.361 0.01 . 1 . . . . 3 V H . 16007 1 31 . 1 1 3 3 VAL HA H 1 4.464 0.01 . 1 . . . . 3 V HA . 16007 1 32 . 1 1 3 3 VAL HB H 1 1.778 0.01 . 1 . . . . 3 V HB . 16007 1 33 . 1 1 3 3 VAL HG11 H 1 0.670 0.01 . 2 . . . . 3 V QG1 . 16007 1 34 . 1 1 3 3 VAL HG12 H 1 0.670 0.01 . 2 . . . . 3 V QG1 . 16007 1 35 . 1 1 3 3 VAL HG13 H 1 0.670 0.01 . 2 . . . . 3 V QG1 . 16007 1 36 . 1 1 3 3 VAL HG21 H 1 0.770 0.01 . 2 . . . . 3 V QG2 . 16007 1 37 . 1 1 3 3 VAL HG22 H 1 0.770 0.01 . 2 . . . . 3 V QG2 . 16007 1 38 . 1 1 3 3 VAL HG23 H 1 0.770 0.01 . 2 . . . . 3 V QG2 . 16007 1 39 . 1 1 3 3 VAL C C 13 173.160 0.080 . 1 . . . . 3 VAL C . 16007 1 40 . 1 1 3 3 VAL CA C 13 61.330 0.2 . 1 . . . . 3 V CA . 16007 1 41 . 1 1 3 3 VAL CB C 13 36.251 0.2 . 1 . . . . 3 V CB . 16007 1 42 . 1 1 3 3 VAL CG1 C 13 22.933 0.2 . 2 . . . . 3 V CG1 . 16007 1 43 . 1 1 3 3 VAL CG2 C 13 21.294 0.2 . 2 . . . . 3 V CG2 . 16007 1 44 . 1 1 3 3 VAL N N 15 126.750 0.2 . 1 . . . . 3 V N . 16007 1 45 . 1 1 4 4 GLU H H 1 9.294 0.01 . 1 . . . . 4 E H . 16007 1 46 . 1 1 4 4 GLU HA H 1 4.807 0.01 . 1 . . . . 4 E HA . 16007 1 47 . 1 1 4 4 GLU HB2 H 1 1.787 0.01 . 2 . . . . 4 E HB2 . 16007 1 48 . 1 1 4 4 GLU HB3 H 1 1.634 0.01 . 2 . . . . 4 E HB3 . 16007 1 49 . 1 1 4 4 GLU HG2 H 1 1.896 0.01 . 2 . . . . 4 E HG2 . 16007 1 50 . 1 1 4 4 GLU HG3 H 1 1.998 0.01 . 2 . . . . 4 E HG3 . 16007 1 51 . 1 1 4 4 GLU C C 13 173.020 0.080 . 1 . . . . 4 GLU C . 16007 1 52 . 1 1 4 4 GLU CA C 13 54.890 0.2 . 1 . . . . 4 E CA . 16007 1 53 . 1 1 4 4 GLU CB C 13 33.146 0.2 . 1 . . . . 4 E CB . 16007 1 54 . 1 1 4 4 GLU CG C 13 37.487 0.2 . 1 . . . . 4 E CG . 16007 1 55 . 1 1 4 4 GLU N N 15 128.550 0.2 . 1 . . . . 4 E N . 16007 1 56 . 1 1 5 5 LEU H H 1 8.685 0.01 . 1 . . . . 5 L H . 16007 1 57 . 1 1 5 5 LEU HA H 1 4.547 0.01 . 1 . . . . 5 L HA . 16007 1 58 . 1 1 5 5 LEU HB2 H 1 1.800 0.01 . 2 . . . . 5 L HB2 . 16007 1 59 . 1 1 5 5 LEU HB3 H 1 0.250 0.01 . 2 . . . . 5 L HB3 . 16007 1 60 . 1 1 5 5 LEU HD11 H 1 0.695 0.01 . 2 . . . . 5 L QD1 . 16007 1 61 . 1 1 5 5 LEU HD12 H 1 0.695 0.01 . 2 . . . . 5 L QD1 . 16007 1 62 . 1 1 5 5 LEU HD13 H 1 0.695 0.01 . 2 . . . . 5 L QD1 . 16007 1 63 . 1 1 5 5 LEU HD21 H 1 0.918 0.01 . 2 . . . . 5 L QD2 . 16007 1 64 . 1 1 5 5 LEU HD22 H 1 0.918 0.01 . 2 . . . . 5 L QD2 . 16007 1 65 . 1 1 5 5 LEU HD23 H 1 0.918 0.01 . 2 . . . . 5 L QD2 . 16007 1 66 . 1 1 5 5 LEU HG H 1 1.434 0.01 . 1 . . . . 5 L HG . 16007 1 67 . 1 1 5 5 LEU C C 13 173.750 0.080 . 1 . . . . 5 LEU C . 16007 1 68 . 1 1 5 5 LEU CA C 13 52.450 0.2 . 1 . . . . 5 L CA . 16007 1 69 . 1 1 5 5 LEU CB C 13 41.998 0.2 . 1 . . . . 5 L CB . 16007 1 70 . 1 1 5 5 LEU CD1 C 13 27.149 0.2 . 2 . . . . 5 L CD1 . 16007 1 71 . 1 1 5 5 LEU CD2 C 13 28.199 0.2 . 2 . . . . 5 L CD2 . 16007 1 72 . 1 1 5 5 LEU CG C 13 27.484 0.2 . 1 . . . . 5 L CG . 16007 1 73 . 1 1 5 5 LEU N N 15 124.490 0.2 . 1 . . . . 5 L N . 16007 1 74 . 1 1 6 6 LEU H H 1 8.608 0.01 . 1 . . . . 6 L H . 16007 1 75 . 1 1 6 6 LEU HA H 1 4.502 0.01 . 1 . . . . 6 L HA . 16007 1 76 . 1 1 6 6 LEU HB2 H 1 1.535 0.01 . 2 . . . . 6 L HB2 . 16007 1 77 . 1 1 6 6 LEU HB3 H 1 1.476 0.01 . 2 . . . . 6 L HB3 . 16007 1 78 . 1 1 6 6 LEU HD11 H 1 0.703 0.01 . 2 . . . . 6 L QD1 . 16007 1 79 . 1 1 6 6 LEU HD12 H 1 0.703 0.01 . 2 . . . . 6 L QD1 . 16007 1 80 . 1 1 6 6 LEU HD13 H 1 0.703 0.01 . 2 . . . . 6 L QD1 . 16007 1 81 . 1 1 6 6 LEU HD21 H 1 0.727 0.01 . 2 . . . . 6 L QD2 . 16007 1 82 . 1 1 6 6 LEU HD22 H 1 0.727 0.01 . 2 . . . . 6 L QD2 . 16007 1 83 . 1 1 6 6 LEU HD23 H 1 0.727 0.01 . 2 . . . . 6 L QD2 . 16007 1 84 . 1 1 6 6 LEU HG H 1 1.397 0.01 . 1 . . . . 6 L HG . 16007 1 85 . 1 1 6 6 LEU C C 13 176.550 0.080 . 1 . . . . 6 LEU C . 16007 1 86 . 1 1 6 6 LEU CA C 13 53.790 0.2 . 1 . . . . 6 L CA . 16007 1 87 . 1 1 6 6 LEU CB C 13 42.240 0.2 . 1 . . . . 6 L CB . 16007 1 88 . 1 1 6 6 LEU CD1 C 13 24.870 0.2 . 2 . . . . 6 L CD1 . 16007 1 89 . 1 1 6 6 LEU CD2 C 13 24.894 0.2 . 2 . . . . 6 L CD2 . 16007 1 90 . 1 1 6 6 LEU CG C 13 27.321 0.2 . 1 . . . . 6 L CG . 16007 1 91 . 1 1 6 6 LEU N N 15 123.330 0.2 . 1 . . . . 6 L N . 16007 1 92 . 1 1 7 7 PHE H H 1 8.344 0.01 . 1 . . . . 7 F H . 16007 1 93 . 1 1 7 7 PHE HA H 1 5.378 0.01 . 1 . . . . 7 F HA . 16007 1 94 . 1 1 7 7 PHE HB2 H 1 3.718 0.01 . 2 . . . . 7 F HB2 . 16007 1 95 . 1 1 7 7 PHE HB3 H 1 2.722 0.01 . 2 . . . . 7 F HB3 . 16007 1 96 . 1 1 7 7 PHE HD1 H 1 6.790 0.01 . 3 . . . . 7 F HD1 . 16007 1 97 . 1 1 7 7 PHE HD2 H 1 6.792 0.01 . 3 . . . . 7 F HD2 . 16007 1 98 . 1 1 7 7 PHE HE1 H 1 6.771 0.01 . 3 . . . . 7 F QE . 16007 1 99 . 1 1 7 7 PHE HE2 H 1 6.771 0.01 . 3 . . . . 7 F QE . 16007 1 100 . 1 1 7 7 PHE HZ H 1 6.763 0.01 . 1 . . . . 7 F HZ . 16007 1 101 . 1 1 7 7 PHE C C 13 175.050 0.080 . 1 . . . . 7 PHE C . 16007 1 102 . 1 1 7 7 PHE CA C 13 55.830 0.2 . 1 . . . . 7 F CA . 16007 1 103 . 1 1 7 7 PHE CB C 13 39.383 0.2 . 1 . . . . 7 F CB . 16007 1 104 . 1 1 7 7 PHE CD1 C 13 130.470 0.2 . 3 . . . . 7 F CD1 . 16007 1 105 . 1 1 7 7 PHE CD2 C 13 130.470 0.2 . 3 . . . . 7 F CD2 . 16007 1 106 . 1 1 7 7 PHE CE1 C 13 132.310 0.2 . 3 . . . . 7 F CE1 . 16007 1 107 . 1 1 7 7 PHE CZ C 13 127.922 0.2 . 1 . . . . 7 F CZ . 16007 1 108 . 1 1 7 7 PHE N N 15 125.190 0.2 . 1 . . . . 7 F N . 16007 1 109 . 1 1 8 8 GLU H H 1 8.226 0.01 . 1 . . . . 8 E H . 16007 1 110 . 1 1 8 8 GLU HA H 1 4.266 0.01 . 1 . . . . 8 E HA . 16007 1 111 . 1 1 8 8 GLU HB2 H 1 1.834 0.01 . 2 . . . . 8 E HB2 . 16007 1 112 . 1 1 8 8 GLU HB3 H 1 2.090 0.01 . 2 . . . . 8 E HB3 . 16007 1 113 . 1 1 8 8 GLU HG2 H 1 2.296 0.01 . 2 . . . . 8 E HG2 . 16007 1 114 . 1 1 8 8 GLU HG3 H 1 2.663 0.01 . 2 . . . . 8 E HG3 . 16007 1 115 . 1 1 8 8 GLU C C 13 180.740 0.080 . 1 . . . . 8 GLU C . 16007 1 116 . 1 1 8 8 GLU CA C 13 59.530 0.2 . 1 . . . . 8 E CA . 16007 1 117 . 1 1 8 8 GLU CB C 13 29.723 0.2 . 1 . . . . 8 E CB . 16007 1 118 . 1 1 8 8 GLU CG C 13 37.891 0.2 . 1 . . . . 8 E CG . 16007 1 119 . 1 1 8 8 GLU N N 15 120.100 0.2 . 1 . . . . 8 E N . 16007 1 120 . 1 1 9 9 SER H H 1 9.069 0.01 . 1 . . . . 9 S H . 16007 1 121 . 1 1 9 9 SER HA H 1 4.467 0.01 . 1 . . . . 9 S HA . 16007 1 122 . 1 1 9 9 SER HB2 H 1 3.718 0.01 . 2 . . . . 9 S QB . 16007 1 123 . 1 1 9 9 SER HB3 H 1 3.718 0.01 . 2 . . . . 9 S QB . 16007 1 124 . 1 1 9 9 SER C C 13 173.740 0.080 . 1 . . . . 9 SER C . 16007 1 125 . 1 1 9 9 SER CA C 13 58.600 0.2 . 1 . . . . 9 S CA . 16007 1 126 . 1 1 9 9 SER CB C 13 63.120 0.2 . 1 . . . . 9 S CB . 16007 1 127 . 1 1 9 9 SER N N 15 112.770 0.2 . 1 . . . . 9 S N . 16007 1 128 . 1 1 10 10 GLY H H 1 6.925 0.01 . 1 . . . . 10 G H . 16007 1 129 . 1 1 10 10 GLY HA2 H 1 3.896 0.01 . 2 . . . . 10 G QA . 16007 1 130 . 1 1 10 10 GLY HA3 H 1 3.896 0.01 . 2 . . . . 10 G QA . 16007 1 131 . 1 1 10 10 GLY C C 13 170.040 0.080 . 1 . . . . 10 GLY C . 16007 1 132 . 1 1 10 10 GLY CA C 13 45.466 0.2 . 1 . . . . 10 G CA . 16007 1 133 . 1 1 10 10 GLY N N 15 105.760 0.2 . 1 . . . . 10 G N . 16007 1 134 . 1 1 11 11 LYS H H 1 9.071 0.01 . 1 . . . . 11 K H . 16007 1 135 . 1 1 11 11 LYS HA H 1 5.484 0.01 . 1 . . . . 11 K HA . 16007 1 136 . 1 1 11 11 LYS HB2 H 1 1.830 0.01 . 2 . . . . 11 K QB . 16007 1 137 . 1 1 11 11 LYS HB3 H 1 1.830 0.01 . 2 . . . . 11 K QB . 16007 1 138 . 1 1 11 11 LYS HD2 H 1 1.463 0.01 . 2 . . . . 11 K QD . 16007 1 139 . 1 1 11 11 LYS HD3 H 1 1.463 0.01 . 2 . . . . 11 K QD . 16007 1 140 . 1 1 11 11 LYS HE2 H 1 2.760 0.01 . 2 . . . . 11 K QE . 16007 1 141 . 1 1 11 11 LYS HE3 H 1 2.760 0.01 . 2 . . . . 11 K QE . 16007 1 142 . 1 1 11 11 LYS HG2 H 1 1.171 0.01 . 2 . . . . 11 K HG2 . 16007 1 143 . 1 1 11 11 LYS HG3 H 1 1.208 0.01 . 2 . . . . 11 K HG3 . 16007 1 144 . 1 1 11 11 LYS C C 13 174.230 0.080 . 1 . . . . 11 LYS C . 16007 1 145 . 1 1 11 11 LYS CA C 13 55.460 0.2 . 1 . . . . 11 K CA . 16007 1 146 . 1 1 11 11 LYS CB C 13 36.408 0.2 . 1 . . . . 11 K CB . 16007 1 147 . 1 1 11 11 LYS CD C 13 29.608 0.2 . 1 . . . . 11 K CD . 16007 1 148 . 1 1 11 11 LYS CE C 13 42.224 0.2 . 1 . . . . 11 K CE . 16007 1 149 . 1 1 11 11 LYS CG C 13 23.744 0.2 . 1 . . . . 11 K CG . 16007 1 150 . 1 1 11 11 LYS N N 15 118.960 0.2 . 1 . . . . 11 K N . 16007 1 151 . 1 1 12 12 CYS H H 1 8.917 0.01 . 1 . . . . 12 C H . 16007 1 152 . 1 1 12 12 CYS HA H 1 5.083 0.01 . 1 . . . . 12 C HA . 16007 1 153 . 1 1 12 12 CYS HB2 H 1 3.640 0.01 . 2 . . . . 12 C HB2 . 16007 1 154 . 1 1 12 12 CYS HB3 H 1 2.738 0.01 . 2 . . . . 12 C HB3 . 16007 1 155 . 1 1 12 12 CYS C C 13 171.760 0.080 . 1 . . . . 12 CYS C . 16007 1 156 . 1 1 12 12 CYS CA C 13 56.770 0.2 . 1 . . . . 12 C CA . 16007 1 157 . 1 1 12 12 CYS CB C 13 31.267 0.2 . 1 . . . . 12 C CB . 16007 1 158 . 1 1 12 12 CYS N N 15 115.700 0.2 . 1 . . . . 12 C N . 16007 1 159 . 1 1 13 13 VAL H H 1 8.474 0.01 . 1 . . . . 13 V H . 16007 1 160 . 1 1 13 13 VAL HA H 1 4.992 0.01 . 1 . . . . 13 V HA . 16007 1 161 . 1 1 13 13 VAL HB H 1 1.688 0.01 . 1 . . . . 13 V HB . 16007 1 162 . 1 1 13 13 VAL HG11 H 1 0.848 0.01 . 2 . . . . 13 V QG1 . 16007 1 163 . 1 1 13 13 VAL HG12 H 1 0.848 0.01 . 2 . . . . 13 V QG1 . 16007 1 164 . 1 1 13 13 VAL HG13 H 1 0.848 0.01 . 2 . . . . 13 V QG1 . 16007 1 165 . 1 1 13 13 VAL HG21 H 1 0.749 0.01 . 2 . . . . 13 V QG2 . 16007 1 166 . 1 1 13 13 VAL HG22 H 1 0.749 0.01 . 2 . . . . 13 V QG2 . 16007 1 167 . 1 1 13 13 VAL HG23 H 1 0.749 0.01 . 2 . . . . 13 V QG2 . 16007 1 168 . 1 1 13 13 VAL C C 13 175.660 0.080 . 1 . . . . 13 VAL C . 16007 1 169 . 1 1 13 13 VAL CA C 13 61.490 0.2 . 1 . . . . 13 V CA . 16007 1 170 . 1 1 13 13 VAL CB C 13 35.125 0.2 . 1 . . . . 13 V CB . 16007 1 171 . 1 1 13 13 VAL CG1 C 13 21.707 0.2 . 2 . . . . 13 V CG1 . 16007 1 172 . 1 1 13 13 VAL CG2 C 13 21.337 0.2 . 2 . . . . 13 V CG2 . 16007 1 173 . 1 1 13 13 VAL N N 15 120.490 0.2 . 1 . . . . 13 V N . 16007 1 174 . 1 1 14 14 ILE H H 1 9.378 0.01 . 1 . . . . 14 I H . 16007 1 175 . 1 1 14 14 ILE HA H 1 5.335 0.01 . 1 . . . . 14 I HA . 16007 1 176 . 1 1 14 14 ILE HB H 1 1.779 0.01 . 1 . . . . 14 I HB . 16007 1 177 . 1 1 14 14 ILE HD11 H 1 0.782 0.01 . 1 . . . . 14 I QD1 . 16007 1 178 . 1 1 14 14 ILE HD12 H 1 0.782 0.01 . 1 . . . . 14 I QD1 . 16007 1 179 . 1 1 14 14 ILE HD13 H 1 0.782 0.01 . 1 . . . . 14 I QD1 . 16007 1 180 . 1 1 14 14 ILE HG12 H 1 1.423 0.01 . 2 . . . . 14 I HG12 . 16007 1 181 . 1 1 14 14 ILE HG13 H 1 1.320 0.01 . 2 . . . . 14 I HG13 . 16007 1 182 . 1 1 14 14 ILE HG21 H 1 0.873 0.01 . 1 . . . . 14 I QG2 . 16007 1 183 . 1 1 14 14 ILE HG22 H 1 0.873 0.01 . 1 . . . . 14 I QG2 . 16007 1 184 . 1 1 14 14 ILE HG23 H 1 0.873 0.01 . 1 . . . . 14 I QG2 . 16007 1 185 . 1 1 14 14 ILE C C 13 172.570 0.080 . 1 . . . . 14 ILE C . 16007 1 186 . 1 1 14 14 ILE CA C 13 58.540 0.2 . 1 . . . . 14 I CA . 16007 1 187 . 1 1 14 14 ILE CB C 13 40.755 0.2 . 1 . . . . 14 I CB . 16007 1 188 . 1 1 14 14 ILE CD1 C 13 14.275 0.2 . 1 . . . . 14 I CD1 . 16007 1 189 . 1 1 14 14 ILE CG1 C 13 26.148 0.2 . 1 . . . . 14 I CG1 . 16007 1 190 . 1 1 14 14 ILE CG2 C 13 19.203 0.2 . 1 . . . . 14 I CG2 . 16007 1 191 . 1 1 14 14 ILE N N 15 120.140 0.2 . 1 . . . . 14 I N . 16007 1 192 . 1 1 15 15 ASP H H 1 9.295 0.01 . 1 . . . . 15 D H . 16007 1 193 . 1 1 15 15 ASP HA H 1 5.274 0.01 . 1 . . . . 15 D HA . 16007 1 194 . 1 1 15 15 ASP HB2 H 1 2.782 0.01 . 2 . . . . 15 D HB2 . 16007 1 195 . 1 1 15 15 ASP HB3 H 1 2.191 0.01 . 2 . . . . 15 D HB3 . 16007 1 196 . 1 1 15 15 ASP C C 13 176.510 0.080 . 1 . . . . 15 ASP C . 16007 1 197 . 1 1 15 15 ASP CA C 13 53.050 0.2 . 1 . . . . 15 D CA . 16007 1 198 . 1 1 15 15 ASP CB C 13 44.007 0.2 . 1 . . . . 15 D CB . 16007 1 199 . 1 1 15 15 ASP N N 15 123.200 0.2 . 1 . . . . 15 D N . 16007 1 200 . 1 1 16 16 LEU H H 1 8.892 0.01 . 1 . . . . 16 L H . 16007 1 201 . 1 1 16 16 LEU HA H 1 4.981 0.01 . 1 . . . . 16 L HA . 16007 1 202 . 1 1 16 16 LEU HB2 H 1 1.431 0.01 . 2 . . . . 16 L HB2 . 16007 1 203 . 1 1 16 16 LEU HB3 H 1 1.811 0.01 . 2 . . . . 16 L HB3 . 16007 1 204 . 1 1 16 16 LEU HD11 H 1 0.791 0.01 . 2 . . . . 16 L QD1 . 16007 1 205 . 1 1 16 16 LEU HD12 H 1 0.791 0.01 . 2 . . . . 16 L QD1 . 16007 1 206 . 1 1 16 16 LEU HD13 H 1 0.791 0.01 . 2 . . . . 16 L QD1 . 16007 1 207 . 1 1 16 16 LEU HD21 H 1 0.732 0.01 . 2 . . . . 16 L QD2 . 16007 1 208 . 1 1 16 16 LEU HD22 H 1 0.732 0.01 . 2 . . . . 16 L QD2 . 16007 1 209 . 1 1 16 16 LEU HD23 H 1 0.732 0.01 . 2 . . . . 16 L QD2 . 16007 1 210 . 1 1 16 16 LEU HG H 1 1.650 0.01 . 1 . . . . 16 L HG . 16007 1 211 . 1 1 16 16 LEU C C 13 175.430 0.080 . 1 . . . . 16 LEU C . 16007 1 212 . 1 1 16 16 LEU CA C 13 53.040 0.2 . 1 . . . . 16 L CA . 16007 1 213 . 1 1 16 16 LEU CB C 13 45.782 0.2 . 1 . . . . 16 L CB . 16007 1 214 . 1 1 16 16 LEU CD1 C 13 25.562 0.2 . 2 . . . . 16 L CD1 . 16007 1 215 . 1 1 16 16 LEU CD2 C 13 23.724 0.2 . 2 . . . . 16 L CD2 . 16007 1 216 . 1 1 16 16 LEU CG C 13 27.042 0.2 . 1 . . . . 16 L CG . 16007 1 217 . 1 1 16 16 LEU N N 15 123.620 0.2 . 1 . . . . 16 L N . 16007 1 218 . 1 1 17 17 ASN H H 1 8.694 0.01 . 1 . . . . 17 N H . 16007 1 219 . 1 1 17 17 ASN HA H 1 4.632 0.01 . 1 . . . . 17 N HA . 16007 1 220 . 1 1 17 17 ASN HB2 H 1 2.729 0.01 . 2 . . . . 17 N HB2 . 16007 1 221 . 1 1 17 17 ASN HB3 H 1 3.111 0.01 . 2 . . . . 17 N HB3 . 16007 1 222 . 1 1 17 17 ASN HD21 H 1 7.129 0.01 . 2 . . . . 17 N HD21 . 16007 1 223 . 1 1 17 17 ASN HD22 H 1 6.841 0.01 . 2 . . . . 17 N HD22 . 16007 1 224 . 1 1 17 17 ASN C C 13 175.500 0.080 . 1 . . . . 17 ASN C . 16007 1 225 . 1 1 17 17 ASN CA C 13 53.310 0.2 . 1 . . . . 17 N CA . 16007 1 226 . 1 1 17 17 ASN CB C 13 38.508 0.2 . 1 . . . . 17 N CB . 16007 1 227 . 1 1 17 17 ASN N N 15 121.330 0.2 . 1 . . . . 17 N N . 16007 1 228 . 1 1 17 17 ASN ND2 N 15 111.000 0.2 . 1 . . . . 17 N ND2 . 16007 1 229 . 1 1 18 18 GLU H H 1 8.793 0.01 . 1 . . . . 18 E H . 16007 1 230 . 1 1 18 18 GLU HA H 1 3.736 0.01 . 1 . . . . 18 E HA . 16007 1 231 . 1 1 18 18 GLU HB2 H 1 2.294 0.01 . 2 . . . . 18 E HB2 . 16007 1 232 . 1 1 18 18 GLU HB3 H 1 1.829 0.01 . 2 . . . . 18 E HB3 . 16007 1 233 . 1 1 18 18 GLU HG2 H 1 2.300 0.01 . 2 . . . . 18 E HG2 . 16007 1 234 . 1 1 18 18 GLU HG3 H 1 2.163 0.01 . 2 . . . . 18 E HG3 . 16007 1 235 . 1 1 18 18 GLU C C 13 175.250 0.080 . 1 . . . . 18 GLU C . 16007 1 236 . 1 1 18 18 GLU CA C 13 58.330 0.2 . 1 . . . . 18 E CA . 16007 1 237 . 1 1 18 18 GLU CB C 13 29.947 0.2 . 1 . . . . 18 E CB . 16007 1 238 . 1 1 18 18 GLU CG C 13 39.376 0.2 . 1 . . . . 18 E CG . 16007 1 239 . 1 1 18 18 GLU N N 15 124.750 0.2 . 1 . . . . 18 E N . 16007 1 240 . 1 1 19 19 GLU H H 1 8.187 0.01 . 1 . . . . 19 E H . 16007 1 241 . 1 1 19 19 GLU HA H 1 3.885 0.01 . 1 . . . . 19 E HA . 16007 1 242 . 1 1 19 19 GLU HB2 H 1 1.516 0.01 . 2 . . . . 19 E HB2 . 16007 1 243 . 1 1 19 19 GLU HB3 H 1 1.450 0.01 . 2 . . . . 19 E HB3 . 16007 1 244 . 1 1 19 19 GLU HG2 H 1 1.962 0.01 . 2 . . . . 19 E HG2 . 16007 1 245 . 1 1 19 19 GLU HG3 H 1 1.849 0.01 . 2 . . . . 19 E HG3 . 16007 1 246 . 1 1 19 19 GLU C C 13 177.350 0.080 . 1 . . . . 19 GLU C . 16007 1 247 . 1 1 19 19 GLU CA C 13 57.730 0.2 . 1 . . . . 19 E CA . 16007 1 248 . 1 1 19 19 GLU CB C 13 29.744 0.2 . 1 . . . . 19 E CB . 16007 1 249 . 1 1 19 19 GLU CG C 13 36.349 0.2 . 1 . . . . 19 E CG . 16007 1 250 . 1 1 19 19 GLU N N 15 117.280 0.2 . 1 . . . . 19 E N . 16007 1 251 . 1 1 20 20 TYR H H 1 7.135 0.01 . 1 . . . . 20 Y H . 16007 1 252 . 1 1 20 20 TYR HA H 1 4.668 0.01 . 1 . . . . 20 Y HA . 16007 1 253 . 1 1 20 20 TYR HB2 H 1 2.749 0.01 . 2 . . . . 20 Y HB2 . 16007 1 254 . 1 1 20 20 TYR HB3 H 1 3.119 0.01 . 2 . . . . 20 Y HB3 . 16007 1 255 . 1 1 20 20 TYR HD1 H 1 7.156 0.01 . 3 . . . . 20 Y QD . 16007 1 256 . 1 1 20 20 TYR HD2 H 1 7.156 0.01 . 3 . . . . 20 Y QD . 16007 1 257 . 1 1 20 20 TYR HE1 H 1 6.826 0.01 . 3 . . . . 20 Y QE . 16007 1 258 . 1 1 20 20 TYR HE2 H 1 6.826 0.01 . 3 . . . . 20 Y QE . 16007 1 259 . 1 1 20 20 TYR CA C 13 56.050 0.2 . 1 . . . . 20 Y CA . 16007 1 260 . 1 1 20 20 TYR CB C 13 38.464 0.2 . 1 . . . . 20 Y CB . 16007 1 261 . 1 1 20 20 TYR CD1 C 13 131.838 0.2 . 3 . . . . 20 Y CD1 . 16007 1 262 . 1 1 20 20 TYR CE1 C 13 118.362 0.2 . 3 . . . . 20 Y CE1 . 16007 1 263 . 1 1 20 20 TYR N N 15 117.730 0.2 . 1 . . . . 20 Y N . 16007 1 264 . 1 1 21 21 GLU H H 1 10.044 0.01 . 1 . . . . 21 E H . 16007 1 265 . 1 1 21 21 GLU HA H 1 3.807 0.01 . 1 . . . . 21 E HA . 16007 1 266 . 1 1 21 21 GLU HB2 H 1 2.073 0.01 . 2 . . . . 21 E QB . 16007 1 267 . 1 1 21 21 GLU HB3 H 1 2.073 0.01 . 2 . . . . 21 E QB . 16007 1 268 . 1 1 21 21 GLU HG2 H 1 2.166 0.01 . 2 . . . . 21 E HG2 . 16007 1 269 . 1 1 21 21 GLU HG3 H 1 2.090 0.01 . 2 . . . . 21 E HG3 . 16007 1 270 . 1 1 21 21 GLU C C 13 179.150 0.080 . 1 . . . . 21 GLU C . 16007 1 271 . 1 1 21 21 GLU CA C 13 60.640 0.2 . 1 . . . . 21 E CA . 16007 1 272 . 1 1 21 21 GLU CB C 13 29.167 0.2 . 1 . . . . 21 E CB . 16007 1 273 . 1 1 21 21 GLU CG C 13 35.696 0.2 . 1 . . . . 21 E CG . 16007 1 274 . 1 1 21 21 GLU N N 15 129.480 0.2 . 1 . . . . 21 E N . 16007 1 275 . 1 1 22 22 VAL H H 1 9.539 0.01 . 1 . . . . 22 V H . 16007 1 276 . 1 1 22 22 VAL HA H 1 3.574 0.01 . 1 . . . . 22 V HA . 16007 1 277 . 1 1 22 22 VAL HB H 1 1.560 0.01 . 1 . . . . 22 V HB . 16007 1 278 . 1 1 22 22 VAL HG11 H 1 -0.221 0.01 . 2 . . . . 22 V QG1 . 16007 1 279 . 1 1 22 22 VAL HG12 H 1 -0.221 0.01 . 2 . . . . 22 V QG1 . 16007 1 280 . 1 1 22 22 VAL HG13 H 1 -0.221 0.01 . 2 . . . . 22 V QG1 . 16007 1 281 . 1 1 22 22 VAL HG21 H 1 0.684 0.01 . 2 . . . . 22 V QG2 . 16007 1 282 . 1 1 22 22 VAL HG22 H 1 0.684 0.01 . 2 . . . . 22 V QG2 . 16007 1 283 . 1 1 22 22 VAL HG23 H 1 0.684 0.01 . 2 . . . . 22 V QG2 . 16007 1 284 . 1 1 22 22 VAL C C 13 175.490 0.080 . 1 . . . . 22 VAL C . 16007 1 285 . 1 1 22 22 VAL CA C 13 64.470 0.2 . 1 . . . . 22 V CA . 16007 1 286 . 1 1 22 22 VAL CB C 13 30.858 0.2 . 1 . . . . 22 V CB . 16007 1 287 . 1 1 22 22 VAL CG1 C 13 20.959 0.2 . 2 . . . . 22 V CG1 . 16007 1 288 . 1 1 22 22 VAL CG2 C 13 21.677 0.2 . 2 . . . . 22 V CG2 . 16007 1 289 . 1 1 22 22 VAL N N 15 115.360 0.2 . 1 . . . . 22 V N . 16007 1 290 . 1 1 23 23 VAL H H 1 6.843 0.01 . 1 . . . . 23 V H . 16007 1 291 . 1 1 23 23 VAL HA H 1 3.387 0.01 . 1 . . . . 23 V HA . 16007 1 292 . 1 1 23 23 VAL HB H 1 2.431 0.01 . 1 . . . . 23 V HB . 16007 1 293 . 1 1 23 23 VAL HG11 H 1 1.131 0.01 . 2 . . . . 23 V QG1 . 16007 1 294 . 1 1 23 23 VAL HG12 H 1 1.131 0.01 . 2 . . . . 23 V QG1 . 16007 1 295 . 1 1 23 23 VAL HG13 H 1 1.131 0.01 . 2 . . . . 23 V QG1 . 16007 1 296 . 1 1 23 23 VAL HG21 H 1 0.738 0.01 . 2 . . . . 23 V QG2 . 16007 1 297 . 1 1 23 23 VAL HG22 H 1 0.738 0.01 . 2 . . . . 23 V QG2 . 16007 1 298 . 1 1 23 23 VAL HG23 H 1 0.738 0.01 . 2 . . . . 23 V QG2 . 16007 1 299 . 1 1 23 23 VAL C C 13 176.900 0.080 . 1 . . . . 23 VAL C . 16007 1 300 . 1 1 23 23 VAL CA C 13 67.030 0.2 . 1 . . . . 23 V CA . 16007 1 301 . 1 1 23 23 VAL CB C 13 31.499 0.2 . 1 . . . . 23 V CB . 16007 1 302 . 1 1 23 23 VAL CG1 C 13 26.084 0.2 . 2 . . . . 23 V CG1 . 16007 1 303 . 1 1 23 23 VAL CG2 C 13 23.484 0.2 . 2 . . . . 23 V CG2 . 16007 1 304 . 1 1 23 23 VAL N N 15 121.150 0.2 . 1 . . . . 23 V N . 16007 1 305 . 1 1 24 24 LYS H H 1 7.533 0.01 . 1 . . . . 24 K H . 16007 1 306 . 1 1 24 24 LYS HA H 1 3.851 0.01 . 1 . . . . 24 K HA . 16007 1 307 . 1 1 24 24 LYS HB2 H 1 1.799 0.01 . 2 . . . . 24 K HB2 . 16007 1 308 . 1 1 24 24 LYS HB3 H 1 1.976 0.01 . 2 . . . . 24 K HB3 . 16007 1 309 . 1 1 24 24 LYS HD2 H 1 1.548 0.01 . 2 . . . . 24 K HD2 . 16007 1 310 . 1 1 24 24 LYS HD3 H 1 1.661 0.01 . 2 . . . . 24 K HD3 . 16007 1 311 . 1 1 24 24 LYS HE2 H 1 2.883 0.01 . 2 . . . . 24 K QE . 16007 1 312 . 1 1 24 24 LYS HE3 H 1 2.883 0.01 . 2 . . . . 24 K QE . 16007 1 313 . 1 1 24 24 LYS HG2 H 1 1.402 0.01 . 2 . . . . 24 K HG2 . 16007 1 314 . 1 1 24 24 LYS HG3 H 1 1.616 0.01 . 2 . . . . 24 K HG3 . 16007 1 315 . 1 1 24 24 LYS C C 13 179.820 0.080 . 1 . . . . 24 LYS C . 16007 1 316 . 1 1 24 24 LYS CA C 13 60.480 0.2 . 1 . . . . 24 K CA . 16007 1 317 . 1 1 24 24 LYS CB C 13 32.626 0.2 . 1 . . . . 24 K CB . 16007 1 318 . 1 1 24 24 LYS CD C 13 30.027 0.2 . 1 . . . . 24 K CD . 16007 1 319 . 1 1 24 24 LYS CE C 13 42.405 0.2 . 1 . . . . 24 K CE . 16007 1 320 . 1 1 24 24 LYS CG C 13 25.577 0.2 . 1 . . . . 24 K CG . 16007 1 321 . 1 1 24 24 LYS N N 15 120.120 0.2 . 1 . . . . 24 K N . 16007 1 322 . 1 1 25 25 LEU H H 1 7.870 0.01 . 1 . . . . 25 L H . 16007 1 323 . 1 1 25 25 LEU HA H 1 4.097 0.01 . 1 . . . . 25 L HA . 16007 1 324 . 1 1 25 25 LEU HB2 H 1 1.513 0.01 . 2 . . . . 25 L HB2 . 16007 1 325 . 1 1 25 25 LEU HB3 H 1 1.312 0.01 . 2 . . . . 25 L HB3 . 16007 1 326 . 1 1 25 25 LEU HD11 H 1 0.724 0.01 . 2 . . . . 25 L QD1 . 16007 1 327 . 1 1 25 25 LEU HD12 H 1 0.724 0.01 . 2 . . . . 25 L QD1 . 16007 1 328 . 1 1 25 25 LEU HD13 H 1 0.724 0.01 . 2 . . . . 25 L QD1 . 16007 1 329 . 1 1 25 25 LEU HD21 H 1 0.730 0.01 . 2 . . . . 25 L QD2 . 16007 1 330 . 1 1 25 25 LEU HD22 H 1 0.730 0.01 . 2 . . . . 25 L QD2 . 16007 1 331 . 1 1 25 25 LEU HD23 H 1 0.730 0.01 . 2 . . . . 25 L QD2 . 16007 1 332 . 1 1 25 25 LEU HG H 1 1.686 0.01 . 1 . . . . 25 L HG . 16007 1 333 . 1 1 25 25 LEU C C 13 180.620 0.080 . 1 . . . . 25 LEU C . 16007 1 334 . 1 1 25 25 LEU CA C 13 57.440 0.2 . 1 . . . . 25 L CA . 16007 1 335 . 1 1 25 25 LEU CB C 13 41.717 0.2 . 1 . . . . 25 L CB . 16007 1 336 . 1 1 25 25 LEU CD1 C 13 25.868 0.2 . 2 . . . . 25 L CD1 . 16007 1 337 . 1 1 25 25 LEU CD2 C 13 22.635 0.2 . 2 . . . . 25 L CD2 . 16007 1 338 . 1 1 25 25 LEU CG C 13 27.421 0.2 . 1 . . . . 25 L CG . 16007 1 339 . 1 1 25 25 LEU N N 15 117.260 0.2 . 1 . . . . 25 L N . 16007 1 340 . 1 1 26 26 LEU H H 1 8.489 0.01 . 1 . . . . 26 L H . 16007 1 341 . 1 1 26 26 LEU HA H 1 3.703 0.01 . 1 . . . . 26 L HA . 16007 1 342 . 1 1 26 26 LEU HB2 H 1 1.969 0.01 . 2 . . . . 26 L HB2 . 16007 1 343 . 1 1 26 26 LEU HB3 H 1 1.248 0.01 . 2 . . . . 26 L HB3 . 16007 1 344 . 1 1 26 26 LEU HD11 H 1 0.819 0.01 . 2 . . . . 26 L QD1 . 16007 1 345 . 1 1 26 26 LEU HD12 H 1 0.819 0.01 . 2 . . . . 26 L QD1 . 16007 1 346 . 1 1 26 26 LEU HD13 H 1 0.819 0.01 . 2 . . . . 26 L QD1 . 16007 1 347 . 1 1 26 26 LEU HD21 H 1 0.730 0.01 . 2 . . . . 26 L QD2 . 16007 1 348 . 1 1 26 26 LEU HD22 H 1 0.730 0.01 . 2 . . . . 26 L QD2 . 16007 1 349 . 1 1 26 26 LEU HD23 H 1 0.730 0.01 . 2 . . . . 26 L QD2 . 16007 1 350 . 1 1 26 26 LEU HG H 1 1.740 0.01 . 1 . . . . 26 L HG . 16007 1 351 . 1 1 26 26 LEU C C 13 178.820 0.080 . 1 . . . . 26 LEU C . 16007 1 352 . 1 1 26 26 LEU CA C 13 58.310 0.2 . 1 . . . . 26 L CA . 16007 1 353 . 1 1 26 26 LEU CB C 13 42.487 0.2 . 1 . . . . 26 L CB . 16007 1 354 . 1 1 26 26 LEU CD1 C 13 24.441 0.2 . 2 . . . . 26 L CD1 . 16007 1 355 . 1 1 26 26 LEU CD2 C 13 25.694 0.2 . 2 . . . . 26 L CD2 . 16007 1 356 . 1 1 26 26 LEU CG C 13 26.993 0.2 . 1 . . . . 26 L CG . 16007 1 357 . 1 1 26 26 LEU N N 15 121.760 0.2 . 1 . . . . 26 L N . 16007 1 358 . 1 1 27 27 LYS H H 1 8.190 0.01 . 1 . . . . 27 K H . 16007 1 359 . 1 1 27 27 LYS HA H 1 3.799 0.01 . 1 . . . . 27 K HA . 16007 1 360 . 1 1 27 27 LYS HB2 H 1 1.880 0.01 . 2 . . . . 27 K HB2 . 16007 1 361 . 1 1 27 27 LYS HB3 H 1 2.141 0.01 . 2 . . . . 27 K HB3 . 16007 1 362 . 1 1 27 27 LYS HD2 H 1 1.690 0.01 . 2 . . . . 27 K QD . 16007 1 363 . 1 1 27 27 LYS HD3 H 1 1.690 0.01 . 2 . . . . 27 K QD . 16007 1 364 . 1 1 27 27 LYS HE2 H 1 2.855 0.01 . 2 . . . . 27 K QE . 16007 1 365 . 1 1 27 27 LYS HE3 H 1 2.855 0.01 . 2 . . . . 27 K QE . 16007 1 366 . 1 1 27 27 LYS HG2 H 1 1.377 0.01 . 2 . . . . 27 K HG2 . 16007 1 367 . 1 1 27 27 LYS HG3 H 1 1.564 0.01 . 2 . . . . 27 K HG3 . 16007 1 368 . 1 1 27 27 LYS C C 13 177.470 0.080 . 1 . . . . 27 LYS C . 16007 1 369 . 1 1 27 27 LYS CA C 13 60.480 0.2 . 1 . . . . 27 K CA . 16007 1 370 . 1 1 27 27 LYS CB C 13 33.472 0.2 . 1 . . . . 27 K CB . 16007 1 371 . 1 1 27 27 LYS CD C 13 30.245 0.2 . 1 . . . . 27 K CD . 16007 1 372 . 1 1 27 27 LYS CE C 13 42.151 0.2 . 1 . . . . 27 K CE . 16007 1 373 . 1 1 27 27 LYS CG C 13 25.609 0.2 . 1 . . . . 27 K CG . 16007 1 374 . 1 1 27 27 LYS N N 15 117.650 0.2 . 1 . . . . 27 K N . 16007 1 375 . 1 1 28 28 GLU H H 1 6.841 0.01 . 1 . . . . 28 E H . 16007 1 376 . 1 1 28 28 GLU HA H 1 4.238 0.01 . 1 . . . . 28 E HA . 16007 1 377 . 1 1 28 28 GLU HB2 H 1 2.056 0.01 . 2 . . . . 28 E HB2 . 16007 1 378 . 1 1 28 28 GLU HB3 H 1 2.216 0.01 . 2 . . . . 28 E HB3 . 16007 1 379 . 1 1 28 28 GLU HG2 H 1 2.499 0.01 . 2 . . . . 28 E HG2 . 16007 1 380 . 1 1 28 28 GLU HG3 H 1 2.318 0.01 . 2 . . . . 28 E HG3 . 16007 1 381 . 1 1 28 28 GLU C C 13 177.280 0.080 . 1 . . . . 28 GLU C . 16007 1 382 . 1 1 28 28 GLU CA C 13 57.370 0.2 . 1 . . . . 28 E CA . 16007 1 383 . 1 1 28 28 GLU CB C 13 30.480 0.2 . 1 . . . . 28 E CB . 16007 1 384 . 1 1 28 28 GLU CG C 13 36.162 0.2 . 1 . . . . 28 E CG . 16007 1 385 . 1 1 28 28 GLU N N 15 111.940 0.2 . 1 . . . . 28 E N . 16007 1 386 . 1 1 29 29 LYS H H 1 7.577 0.01 . 1 . . . . 29 K H . 16007 1 387 . 1 1 29 29 LYS HA H 1 4.414 0.01 . 1 . . . . 29 K HA . 16007 1 388 . 1 1 29 29 LYS HB2 H 1 1.583 0.01 . 2 . . . . 29 K HB2 . 16007 1 389 . 1 1 29 29 LYS HB3 H 1 1.805 0.01 . 2 . . . . 29 K HB3 . 16007 1 390 . 1 1 29 29 LYS HD2 H 1 1.596 0.01 . 2 . . . . 29 K HD2 . 16007 1 391 . 1 1 29 29 LYS HD3 H 1 1.409 0.01 . 2 . . . . 29 K HD3 . 16007 1 392 . 1 1 29 29 LYS HE2 H 1 2.858 0.01 . 2 . . . . 29 K QE . 16007 1 393 . 1 1 29 29 LYS HE3 H 1 2.858 0.01 . 2 . . . . 29 K QE . 16007 1 394 . 1 1 29 29 LYS HG2 H 1 1.470 0.01 . 2 . . . . 29 K HG2 . 16007 1 395 . 1 1 29 29 LYS HG3 H 1 1.013 0.01 . 2 . . . . 29 K HG3 . 16007 1 396 . 1 1 29 29 LYS C C 13 175.230 0.080 . 1 . . . . 29 LYS C . 16007 1 397 . 1 1 29 29 LYS CA C 13 53.800 0.2 . 1 . . . . 29 K CA . 16007 1 398 . 1 1 29 29 LYS CB C 13 33.530 0.2 . 1 . . . . 29 K CB . 16007 1 399 . 1 1 29 29 LYS CD C 13 27.951 0.2 . 1 . . . . 29 K CD . 16007 1 400 . 1 1 29 29 LYS CE C 13 42.104 0.2 . 1 . . . . 29 K CE . 16007 1 401 . 1 1 29 29 LYS CG C 13 24.576 0.2 . 1 . . . . 29 K CG . 16007 1 402 . 1 1 29 29 LYS N N 15 115.460 0.2 . 1 . . . . 29 K N . 16007 1 403 . 1 1 30 30 ILE H H 1 6.921 0.01 . 1 . . . . 30 I H . 16007 1 404 . 1 1 30 30 ILE HA H 1 3.939 0.01 . 1 . . . . 30 I HA . 16007 1 405 . 1 1 30 30 ILE HB H 1 1.310 0.01 . 1 . . . . 30 I HB . 16007 1 406 . 1 1 30 30 ILE HD11 H 1 0.349 0.01 . 1 . . . . 30 I QD1 . 16007 1 407 . 1 1 30 30 ILE HD12 H 1 0.349 0.01 . 1 . . . . 30 I QD1 . 16007 1 408 . 1 1 30 30 ILE HD13 H 1 0.349 0.01 . 1 . . . . 30 I QD1 . 16007 1 409 . 1 1 30 30 ILE HG12 H 1 2.042 0.01 . 2 . . . . 30 I HG12 . 16007 1 410 . 1 1 30 30 ILE HG13 H 1 0.567 0.01 . 2 . . . . 30 I HG13 . 16007 1 411 . 1 1 30 30 ILE HG21 H 1 -0.116 0.01 . 1 . . . . 30 I QG2 . 16007 1 412 . 1 1 30 30 ILE HG22 H 1 -0.116 0.01 . 1 . . . . 30 I QG2 . 16007 1 413 . 1 1 30 30 ILE HG23 H 1 -0.116 0.01 . 1 . . . . 30 I QG2 . 16007 1 414 . 1 1 30 30 ILE CA C 13 60.290 0.2 . 1 . . . . 30 I CA . 16007 1 415 . 1 1 30 30 ILE CB C 13 39.967 0.2 . 1 . . . . 30 I CB . 16007 1 416 . 1 1 30 30 ILE CD1 C 13 14.188 0.2 . 1 . . . . 30 I CD1 . 16007 1 417 . 1 1 30 30 ILE CG1 C 13 30.136 0.2 . 1 . . . . 30 I CG1 . 16007 1 418 . 1 1 30 30 ILE CG2 C 13 15.794 0.2 . 1 . . . . 30 I CG2 . 16007 1 419 . 1 1 30 30 ILE N N 15 122.100 0.2 . 1 . . . . 30 I N . 16007 1 420 . 1 1 31 31 PRO HA H 1 4.840 0.01 . 1 . . . . 31 P HA . 16007 1 421 . 1 1 31 31 PRO HB2 H 1 2.277 0.01 . 2 . . . . 31 P HB2 . 16007 1 422 . 1 1 31 31 PRO HB3 H 1 2.161 0.01 . 2 . . . . 31 P HB3 . 16007 1 423 . 1 1 31 31 PRO HD2 H 1 3.721 0.01 . 2 . . . . 31 P HD2 . 16007 1 424 . 1 1 31 31 PRO HD3 H 1 3.521 0.01 . 2 . . . . 31 P HD3 . 16007 1 425 . 1 1 31 31 PRO HG2 H 1 1.957 0.01 . 2 . . . . 31 P QG . 16007 1 426 . 1 1 31 31 PRO HG3 H 1 1.957 0.01 . 2 . . . . 31 P QG . 16007 1 427 . 1 1 31 31 PRO C C 13 175.340 0.080 . 1 . . . . 31 PRO C . 16007 1 428 . 1 1 31 31 PRO CA C 13 62.720 0.2 . 1 . . . . 31 P CA . 16007 1 429 . 1 1 31 31 PRO CB C 13 36.350 0.2 . 1 . . . . 31 P CB . 16007 1 430 . 1 1 31 31 PRO CD C 13 50.770 0.2 . 1 . . . . 31 P CD . 16007 1 431 . 1 1 31 31 PRO CG C 13 24.659 0.2 . 1 . . . . 31 P CG . 16007 1 432 . 1 1 32 32 PHE H H 1 7.627 0.01 . 1 . . . . 32 F H . 16007 1 433 . 1 1 32 32 PHE HA H 1 4.959 0.01 . 1 . . . . 32 F HA . 16007 1 434 . 1 1 32 32 PHE HB2 H 1 3.357 0.01 . 2 . . . . 32 F HB2 . 16007 1 435 . 1 1 32 32 PHE HB3 H 1 3.275 0.01 . 2 . . . . 32 F HB3 . 16007 1 436 . 1 1 32 32 PHE HD1 H 1 7.117 0.01 . 3 . . . . 32 F QD . 16007 1 437 . 1 1 32 32 PHE HD2 H 1 7.117 0.01 . 3 . . . . 32 F QD . 16007 1 438 . 1 1 32 32 PHE HE1 H 1 7.155 0.01 . 3 . . . . 32 F QE . 16007 1 439 . 1 1 32 32 PHE HE2 H 1 7.155 0.01 . 3 . . . . 32 F QE . 16007 1 440 . 1 1 32 32 PHE HZ H 1 7.058 0.01 . 1 . . . . 32 F HZ . 16007 1 441 . 1 1 32 32 PHE C C 13 171.870 0.080 . 1 . . . . 32 PHE C . 16007 1 442 . 1 1 32 32 PHE CA C 13 56.300 0.2 . 1 . . . . 32 F CA . 16007 1 443 . 1 1 32 32 PHE CB C 13 40.253 0.2 . 1 . . . . 32 F CB . 16007 1 444 . 1 1 32 32 PHE CD1 C 13 133.671 0.2 . 3 . . . . 32 F CD1 . 16007 1 445 . 1 1 32 32 PHE CE1 C 13 130.130 0.2 . 3 . . . . 32 F CE1 . 16007 1 446 . 1 1 32 32 PHE CZ C 13 127.766 0.2 . 1 . . . . 32 F CZ . 16007 1 447 . 1 1 32 32 PHE N N 15 112.880 0.2 . 1 . . . . 32 F N . 16007 1 448 . 1 1 33 33 GLU H H 1 8.728 0.01 . 1 . . . . 33 E H . 16007 1 449 . 1 1 33 33 GLU HA H 1 5.309 0.01 . 1 . . . . 33 E HA . 16007 1 450 . 1 1 33 33 GLU HB2 H 1 1.923 0.01 . 2 . . . . 33 E HB2 . 16007 1 451 . 1 1 33 33 GLU HB3 H 1 2.033 0.01 . 2 . . . . 33 E HB3 . 16007 1 452 . 1 1 33 33 GLU HG2 H 1 2.200 0.01 . 2 . . . . 33 E HG2 . 16007 1 453 . 1 1 33 33 GLU HG3 H 1 2.145 0.01 . 2 . . . . 33 E HG3 . 16007 1 454 . 1 1 33 33 GLU C C 13 175.630 0.080 . 1 . . . . 33 GLU C . 16007 1 455 . 1 1 33 33 GLU CA C 13 54.450 0.2 . 1 . . . . 33 E CA . 16007 1 456 . 1 1 33 33 GLU CB C 13 33.814 0.2 . 1 . . . . 33 E CB . 16007 1 457 . 1 1 33 33 GLU CG C 13 37.056 0.2 . 1 . . . . 33 E CG . 16007 1 458 . 1 1 33 33 GLU N N 15 118.710 0.2 . 1 . . . . 33 E N . 16007 1 459 . 1 1 34 34 SER H H 1 8.964 0.01 . 1 . . . . 34 S H . 16007 1 460 . 1 1 34 34 SER HA H 1 4.803 0.01 . 1 . . . . 34 S HA . 16007 1 461 . 1 1 34 34 SER HB2 H 1 4.039 0.01 . 2 . . . . 34 S HB2 . 16007 1 462 . 1 1 34 34 SER HB3 H 1 3.430 0.01 . 2 . . . . 34 S HB3 . 16007 1 463 . 1 1 34 34 SER C C 13 174.560 0.080 . 1 . . . . 34 SER C . 16007 1 464 . 1 1 34 34 SER CA C 13 55.830 0.2 . 1 . . . . 34 S CA . 16007 1 465 . 1 1 34 34 SER CB C 13 64.270 0.2 . 1 . . . . 34 S CB . 16007 1 466 . 1 1 34 34 SER N N 15 115.150 0.2 . 1 . . . . 34 S N . 16007 1 467 . 1 1 35 35 VAL H H 1 8.322 0.01 . 1 . . . . 35 V H . 16007 1 468 . 1 1 35 35 VAL HA H 1 4.724 0.01 . 1 . . . . 35 V HA . 16007 1 469 . 1 1 35 35 VAL HB H 1 1.810 0.01 . 1 . . . . 35 V HB . 16007 1 470 . 1 1 35 35 VAL HG11 H 1 0.815 0.01 . 2 . . . . 35 V QG1 . 16007 1 471 . 1 1 35 35 VAL HG12 H 1 0.815 0.01 . 2 . . . . 35 V QG1 . 16007 1 472 . 1 1 35 35 VAL HG13 H 1 0.815 0.01 . 2 . . . . 35 V QG1 . 16007 1 473 . 1 1 35 35 VAL HG21 H 1 0.856 0.01 . 2 . . . . 35 V QG2 . 16007 1 474 . 1 1 35 35 VAL HG22 H 1 0.856 0.01 . 2 . . . . 35 V QG2 . 16007 1 475 . 1 1 35 35 VAL HG23 H 1 0.856 0.01 . 2 . . . . 35 V QG2 . 16007 1 476 . 1 1 35 35 VAL C C 13 174.950 0.080 . 1 . . . . 35 VAL C . 16007 1 477 . 1 1 35 35 VAL CA C 13 61.350 0.2 . 1 . . . . 35 V CA . 16007 1 478 . 1 1 35 35 VAL CB C 13 35.676 0.2 . 1 . . . . 35 V CB . 16007 1 479 . 1 1 35 35 VAL CG1 C 13 21.267 0.2 . 2 . . . . 35 V CG1 . 16007 1 480 . 1 1 35 35 VAL CG2 C 13 21.631 0.2 . 2 . . . . 35 V CG2 . 16007 1 481 . 1 1 35 35 VAL N N 15 121.700 0.2 . 1 . . . . 35 V N . 16007 1 482 . 1 1 36 36 VAL H H 1 9.200 0.01 . 1 . . . . 36 V H . 16007 1 483 . 1 1 36 36 VAL HA H 1 3.999 0.01 . 1 . . . . 36 V HA . 16007 1 484 . 1 1 36 36 VAL HB H 1 2.154 0.01 . 1 . . . . 36 V HB . 16007 1 485 . 1 1 36 36 VAL HG11 H 1 0.756 0.01 . 2 . . . . 36 V QG1 . 16007 1 486 . 1 1 36 36 VAL HG12 H 1 0.756 0.01 . 2 . . . . 36 V QG1 . 16007 1 487 . 1 1 36 36 VAL HG13 H 1 0.756 0.01 . 2 . . . . 36 V QG1 . 16007 1 488 . 1 1 36 36 VAL HG21 H 1 0.941 0.01 . 2 . . . . 36 V QG2 . 16007 1 489 . 1 1 36 36 VAL HG22 H 1 0.941 0.01 . 2 . . . . 36 V QG2 . 16007 1 490 . 1 1 36 36 VAL HG23 H 1 0.941 0.01 . 2 . . . . 36 V QG2 . 16007 1 491 . 1 1 36 36 VAL C C 13 175.490 0.080 . 1 . . . . 36 VAL C . 16007 1 492 . 1 1 36 36 VAL CA C 13 63.900 0.2 . 1 . . . . 36 V CA . 16007 1 493 . 1 1 36 36 VAL CB C 13 33.593 0.2 . 1 . . . . 36 V CB . 16007 1 494 . 1 1 36 36 VAL CG1 C 13 22.882 0.2 . 2 . . . . 36 V CG1 . 16007 1 495 . 1 1 36 36 VAL CG2 C 13 23.274 0.2 . 2 . . . . 36 V CG2 . 16007 1 496 . 1 1 36 36 VAL N N 15 123.870 0.2 . 1 . . . . 36 V N . 16007 1 497 . 1 1 37 37 ASN H H 1 8.739 0.01 . 1 . . . . 37 N H . 16007 1 498 . 1 1 37 37 ASN HA H 1 5.276 0.01 . 1 . . . . 37 N HA . 16007 1 499 . 1 1 37 37 ASN HB2 H 1 2.114 0.01 . 2 . . . . 37 N HB2 . 16007 1 500 . 1 1 37 37 ASN HB3 H 1 1.213 0.01 . 2 . . . . 37 N HB3 . 16007 1 501 . 1 1 37 37 ASN HD21 H 1 6.813 0.01 . 2 . . . . 37 N HD21 . 16007 1 502 . 1 1 37 37 ASN HD22 H 1 6.780 0.01 . 2 . . . . 37 N HD22 . 16007 1 503 . 1 1 37 37 ASN C C 13 174.040 0.080 . 1 . . . . 37 ASN C . 16007 1 504 . 1 1 37 37 ASN CA C 13 51.960 0.2 . 1 . . . . 37 N CA . 16007 1 505 . 1 1 37 37 ASN CB C 13 41.996 0.2 . 1 . . . . 37 N CB . 16007 1 506 . 1 1 37 37 ASN N N 15 123.895 0.2 . 1 . . . . 37 N N . 16007 1 507 . 1 1 37 37 ASN ND2 N 15 112.901 0.2 . 1 . . . . 37 N ND2 . 16007 1 508 . 1 1 38 38 THR H H 1 8.703 0.01 . 1 . . . . 38 T H . 16007 1 509 . 1 1 38 38 THR HA H 1 5.323 0.01 . 1 . . . . 38 T HA . 16007 1 510 . 1 1 38 38 THR HB H 1 4.300 0.01 . 1 . . . . 38 T HB . 16007 1 511 . 1 1 38 38 THR HG21 H 1 0.968 0.01 . 1 . . . . 38 T QG2 . 16007 1 512 . 1 1 38 38 THR HG22 H 1 0.968 0.01 . 1 . . . . 38 T QG2 . 16007 1 513 . 1 1 38 38 THR HG23 H 1 0.968 0.01 . 1 . . . . 38 T QG2 . 16007 1 514 . 1 1 38 38 THR C C 13 174.910 0.080 . 1 . . . . 38 THR C . 16007 1 515 . 1 1 38 38 THR CA C 13 59.740 0.2 . 1 . . . . 38 T CA . 16007 1 516 . 1 1 38 38 THR CB C 13 71.332 0.2 . 1 . . . . 38 T CB . 16007 1 517 . 1 1 38 38 THR CG2 C 13 21.579 0.2 . 1 . . . . 38 T CG2 . 16007 1 518 . 1 1 38 38 THR N N 15 111.440 0.2 . 1 . . . . 38 T N . 16007 1 519 . 1 1 39 39 TRP H H 1 8.489 0.01 . 1 . . . . 39 W H . 16007 1 520 . 1 1 39 39 TRP HA H 1 4.838 0.01 . 1 . . . . 39 W HA . 16007 1 521 . 1 1 39 39 TRP HB2 H 1 2.857 0.01 . 2 . . . . 39 W HB2 . 16007 1 522 . 1 1 39 39 TRP HB3 H 1 3.265 0.01 . 2 . . . . 39 W HB3 . 16007 1 523 . 1 1 39 39 TRP HD1 H 1 7.349 0.01 . 1 . . . . 39 W HD1 . 16007 1 524 . 1 1 39 39 TRP HE1 H 1 10.201 0.01 . 1 . . . . 39 W HE1 . 16007 1 525 . 1 1 39 39 TRP HE3 H 1 7.571 0.01 . 1 . . . . 39 W HE3 . 16007 1 526 . 1 1 39 39 TRP HH2 H 1 6.967 0.01 . 1 . . . . 39 W HH2 . 16007 1 527 . 1 1 39 39 TRP HZ2 H 1 7.307 0.01 . 1 . . . . 39 W HZ2 . 16007 1 528 . 1 1 39 39 TRP HZ3 H 1 6.910 0.01 . 1 . . . . 39 W HZ3 . 16007 1 529 . 1 1 39 39 TRP C C 13 175.270 0.080 . 1 . . . . 39 TRP C . 16007 1 530 . 1 1 39 39 TRP CA C 13 57.040 0.2 . 1 . . . . 39 W CA . 16007 1 531 . 1 1 39 39 TRP CB C 13 29.089 0.2 . 1 . . . . 39 W CB . 16007 1 532 . 1 1 39 39 TRP CD1 C 13 126.761 0.2 . 1 . . . . 39 W CD1 . 16007 1 533 . 1 1 39 39 TRP CE3 C 13 121.189 0.2 . 1 . . . . 39 W CE3 . 16007 1 534 . 1 1 39 39 TRP CH2 C 13 124.148 0.2 . 1 . . . . 39 W CH2 . 16007 1 535 . 1 1 39 39 TRP CZ2 C 13 114.071 0.2 . 1 . . . . 39 W CZ2 . 16007 1 536 . 1 1 39 39 TRP CZ3 C 13 121.360 0.2 . 1 . . . . 39 W CZ3 . 16007 1 537 . 1 1 39 39 TRP N N 15 125.321 0.2 . 1 . . . . 39 W N . 16007 1 538 . 1 1 39 39 TRP NE1 N 15 130.070 0.2 . 1 . . . . 39 W NE1 . 16007 1 539 . 1 1 40 40 GLY H H 1 8.596 0.01 . 1 . . . . 40 G H . 16007 1 540 . 1 1 40 40 GLY HA2 H 1 3.528 0.01 . 2 . . . . 40 G HA2 . 16007 1 541 . 1 1 40 40 GLY HA3 H 1 3.465 0.01 . 2 . . . . 40 G HA3 . 16007 1 542 . 1 1 40 40 GLY CA C 13 47.619 0.2 . 1 . . . . 40 G CA . 16007 1 543 . 1 1 40 40 GLY N N 15 113.220 0.2 . 1 . . . . 40 G N . 16007 1 544 . 1 1 41 41 GLU H H 1 7.870 0.01 . 1 . . . . 41 E H . 16007 1 545 . 1 1 41 41 GLU HA H 1 3.717 0.01 . 1 . . . . 41 E HA . 16007 1 546 . 1 1 41 41 GLU HB2 H 1 1.136 0.01 . 2 . . . . 41 E QB . 16007 1 547 . 1 1 41 41 GLU HB3 H 1 1.136 0.01 . 2 . . . . 41 E QB . 16007 1 548 . 1 1 41 41 GLU HG2 H 1 1.777 0.01 . 2 . . . . 41 E HG2 . 16007 1 549 . 1 1 41 41 GLU HG3 H 1 2.004 0.01 . 2 . . . . 41 E HG3 . 16007 1 550 . 1 1 41 41 GLU C C 13 171.810 0.080 . 1 . . . . 41 GLU C . 16007 1 551 . 1 1 41 41 GLU CA C 13 55.390 0.2 . 1 . . . . 41 E CA . 16007 1 552 . 1 1 41 41 GLU CB C 13 26.025 0.2 . 1 . . . . 41 E CB . 16007 1 553 . 1 1 41 41 GLU CG C 13 37.019 0.2 . 1 . . . . 41 E CG . 16007 1 554 . 1 1 41 41 GLU N N 15 128.227 0.2 . 1 . . . . 41 E N . 16007 1 555 . 1 1 42 42 GLU H H 1 7.158 0.01 . 1 . . . . 42 E H . 16007 1 556 . 1 1 42 42 GLU HA H 1 4.811 0.01 . 1 . . . . 42 E HA . 16007 1 557 . 1 1 42 42 GLU HB2 H 1 2.343 0.01 . 2 . . . . 42 E HB2 . 16007 1 558 . 1 1 42 42 GLU HB3 H 1 1.658 0.01 . 2 . . . . 42 E HB3 . 16007 1 559 . 1 1 42 42 GLU HG2 H 1 1.812 0.01 . 2 . . . . 42 E HG2 . 16007 1 560 . 1 1 42 42 GLU HG3 H 1 1.400 0.01 . 2 . . . . 42 E HG3 . 16007 1 561 . 1 1 42 42 GLU C C 13 175.680 0.080 . 1 . . . . 42 GLU C . 16007 1 562 . 1 1 42 42 GLU CA C 13 53.860 0.2 . 1 . . . . 42 E CA . 16007 1 563 . 1 1 42 42 GLU CB C 13 31.149 0.2 . 1 . . . . 42 E CB . 16007 1 564 . 1 1 42 42 GLU CG C 13 32.745 0.2 . 1 . . . . 42 E CG . 16007 1 565 . 1 1 42 42 GLU N N 15 116.880 0.2 . 1 . . . . 42 E N . 16007 1 566 . 1 1 43 43 ILE H H 1 8.226 0.01 . 1 . . . . 43 I H . 16007 1 567 . 1 1 43 43 ILE HA H 1 4.934 0.01 . 1 . . . . 43 I HA . 16007 1 568 . 1 1 43 43 ILE HB H 1 1.558 0.01 . 1 . . . . 43 I HB . 16007 1 569 . 1 1 43 43 ILE HD11 H 1 0.564 0.01 . 1 . . . . 43 I QD1 . 16007 1 570 . 1 1 43 43 ILE HD12 H 1 0.564 0.01 . 1 . . . . 43 I QD1 . 16007 1 571 . 1 1 43 43 ILE HD13 H 1 0.564 0.01 . 1 . . . . 43 I QD1 . 16007 1 572 . 1 1 43 43 ILE HG12 H 1 1.711 0.01 . 2 . . . . 43 I HG12 . 16007 1 573 . 1 1 43 43 ILE HG13 H 1 0.927 0.01 . 2 . . . . 43 I HG13 . 16007 1 574 . 1 1 43 43 ILE HG21 H 1 0.997 0.01 . 1 . . . . 43 I QG2 . 16007 1 575 . 1 1 43 43 ILE HG22 H 1 0.997 0.01 . 1 . . . . 43 I QG2 . 16007 1 576 . 1 1 43 43 ILE HG23 H 1 0.997 0.01 . 1 . . . . 43 I QG2 . 16007 1 577 . 1 1 43 43 ILE C C 13 174.420 0.080 . 1 . . . . 43 ILE C . 16007 1 578 . 1 1 43 43 ILE CA C 13 59.250 0.2 . 1 . . . . 43 I CA . 16007 1 579 . 1 1 43 43 ILE CB C 13 43.278 0.2 . 1 . . . . 43 I CB . 16007 1 580 . 1 1 43 43 ILE CD1 C 13 16.215 0.2 . 1 . . . . 43 I CD1 . 16007 1 581 . 1 1 43 43 ILE CG1 C 13 29.339 0.2 . 1 . . . . 43 I CG1 . 16007 1 582 . 1 1 43 43 ILE CG2 C 13 18.124 0.2 . 1 . . . . 43 I CG2 . 16007 1 583 . 1 1 43 43 ILE N N 15 125.120 0.2 . 1 . . . . 43 I N . 16007 1 584 . 1 1 44 44 TYR H H 1 9.318 0.01 . 1 . . . . 44 Y H . 16007 1 585 . 1 1 44 44 TYR HA H 1 6.008 0.01 . 1 . . . . 44 Y HA . 16007 1 586 . 1 1 44 44 TYR HB2 H 1 2.774 0.01 . 2 . . . . 44 Y QB . 16007 1 587 . 1 1 44 44 TYR HB3 H 1 2.774 0.01 . 2 . . . . 44 Y QB . 16007 1 588 . 1 1 44 44 TYR HD1 H 1 6.572 0.01 . 3 . . . . 44 Y QD . 16007 1 589 . 1 1 44 44 TYR HD2 H 1 6.572 0.01 . 3 . . . . 44 Y QD . 16007 1 590 . 1 1 44 44 TYR HE1 H 1 6.438 0.01 . 3 . . . . 44 Y QE . 16007 1 591 . 1 1 44 44 TYR HE2 H 1 6.438 0.01 . 3 . . . . 44 Y QE . 16007 1 592 . 1 1 44 44 TYR C C 13 174.150 0.080 . 1 . . . . 44 TYR C . 16007 1 593 . 1 1 44 44 TYR CA C 13 55.740 0.2 . 1 . . . . 44 Y CA . 16007 1 594 . 1 1 44 44 TYR CB C 13 42.606 0.2 . 1 . . . . 44 Y CB . 16007 1 595 . 1 1 44 44 TYR CD1 C 13 132.808 0.2 . 3 . . . . 44 Y CD1 . 16007 1 596 . 1 1 44 44 TYR CE1 C 13 117.989 0.2 . 3 . . . . 44 Y CE1 . 16007 1 597 . 1 1 44 44 TYR N N 15 124.370 0.2 . 1 . . . . 44 Y N . 16007 1 598 . 1 1 45 45 PHE H H 1 8.211 0.01 . 1 . . . . 45 F H . 16007 1 599 . 1 1 45 45 PHE HA H 1 5.088 0.01 . 1 . . . . 45 F HA . 16007 1 600 . 1 1 45 45 PHE HB2 H 1 3.195 0.01 . 2 . . . . 45 F HB2 . 16007 1 601 . 1 1 45 45 PHE HB3 H 1 3.128 0.01 . 2 . . . . 45 F HB3 . 16007 1 602 . 1 1 45 45 PHE HD1 H 1 7.000 0.01 . 3 . . . . 45 F QD . 16007 1 603 . 1 1 45 45 PHE HD2 H 1 7.000 0.01 . 3 . . . . 45 F QD . 16007 1 604 . 1 1 45 45 PHE HE1 H 1 6.965 0.01 . 3 . . . . 45 F QE . 16007 1 605 . 1 1 45 45 PHE HE2 H 1 6.965 0.01 . 3 . . . . 45 F QE . 16007 1 606 . 1 1 45 45 PHE HZ H 1 6.850 0.01 . 1 . . . . 45 F HZ . 16007 1 607 . 1 1 45 45 PHE C C 13 173.730 0.080 . 1 . . . . 45 PHE C . 16007 1 608 . 1 1 45 45 PHE CA C 13 55.140 0.2 . 1 . . . . 45 F CA . 16007 1 609 . 1 1 45 45 PHE CB C 13 40.793 0.2 . 1 . . . . 45 F CB . 16007 1 610 . 1 1 45 45 PHE CD1 C 13 133.609 0.2 . 3 . . . . 45 F CD1 . 16007 1 611 . 1 1 45 45 PHE CE1 C 13 129.251 0.2 . 3 . . . . 45 F CE1 . 16007 1 612 . 1 1 45 45 PHE CZ C 13 129.159 0.2 . 1 . . . . 45 F CZ . 16007 1 613 . 1 1 45 45 PHE N N 15 114.110 0.2 . 1 . . . . 45 F N . 16007 1 614 . 1 1 46 46 SER H H 1 9.523 0.01 . 1 . . . . 46 S H . 16007 1 615 . 1 1 46 46 SER HA H 1 4.316 0.01 . 1 . . . . 46 S HA . 16007 1 616 . 1 1 46 46 SER HB2 H 1 3.991 0.01 . 2 . . . . 46 S QB . 16007 1 617 . 1 1 46 46 SER HB3 H 1 3.991 0.01 . 2 . . . . 46 S QB . 16007 1 618 . 1 1 46 46 SER C C 13 174.360 0.080 . 1 . . . . 46 SER C . 16007 1 619 . 1 1 46 46 SER CA C 13 59.960 0.2 . 1 . . . . 46 S CA . 16007 1 620 . 1 1 46 46 SER CB C 13 63.980 0.2 . 1 . . . . 46 S CB . 16007 1 621 . 1 1 46 46 SER N N 15 117.150 0.2 . 1 . . . . 46 S N . 16007 1 622 . 1 1 47 47 THR H H 1 8.225 0.01 . 1 . . . . 47 T H . 16007 1 623 . 1 1 47 47 THR HA H 1 4.971 0.01 . 1 . . . . 47 T HA . 16007 1 624 . 1 1 47 47 THR HB H 1 3.792 0.01 . 1 . . . . 47 T HB . 16007 1 625 . 1 1 47 47 THR HG21 H 1 1.522 0.01 . 1 . . . . 47 T QG2 . 16007 1 626 . 1 1 47 47 THR HG22 H 1 1.522 0.01 . 1 . . . . 47 T QG2 . 16007 1 627 . 1 1 47 47 THR HG23 H 1 1.522 0.01 . 1 . . . . 47 T QG2 . 16007 1 628 . 1 1 47 47 THR CA C 13 59.160 0.2 . 1 . . . . 47 T CA . 16007 1 629 . 1 1 47 47 THR CB C 13 70.385 0.2 . 1 . . . . 47 T CB . 16007 1 630 . 1 1 47 47 THR CG2 C 13 22.882 0.2 . 1 . . . . 47 T CG2 . 16007 1 631 . 1 1 47 47 THR N N 15 113.910 0.2 . 1 . . . . 47 T N . 16007 1 632 . 1 1 48 48 PRO HA H 1 4.585 0.01 . 1 . . . . 48 P HA . 16007 1 633 . 1 1 48 48 PRO HB2 H 1 1.723 0.01 . 2 . . . . 48 P HB2 . 16007 1 634 . 1 1 48 48 PRO HB3 H 1 2.192 0.01 . 2 . . . . 48 P HB3 . 16007 1 635 . 1 1 48 48 PRO HD2 H 1 2.020 0.01 . 2 . . . . 48 P HD2 . 16007 1 636 . 1 1 48 48 PRO HD3 H 1 2.585 0.01 . 2 . . . . 48 P HD3 . 16007 1 637 . 1 1 48 48 PRO HG2 H 1 1.524 0.01 . 2 . . . . 48 P HG2 . 16007 1 638 . 1 1 48 48 PRO HG3 H 1 1.125 0.01 . 2 . . . . 48 P HG3 . 16007 1 639 . 1 1 48 48 PRO C C 13 175.940 0.080 . 1 . . . . 48 PRO C . 16007 1 640 . 1 1 48 48 PRO CA C 13 62.410 0.2 . 1 . . . . 48 P CA . 16007 1 641 . 1 1 48 48 PRO CB C 13 31.770 0.2 . 1 . . . . 48 P CB . 16007 1 642 . 1 1 48 48 PRO CD C 13 49.427 0.2 . 1 . . . . 48 P CD . 16007 1 643 . 1 1 48 48 PRO CG C 13 27.656 0.2 . 1 . . . . 48 P CG . 16007 1 644 . 1 1 49 49 VAL H H 1 7.458 0.01 . 1 . . . . 49 V H . 16007 1 645 . 1 1 49 49 VAL HA H 1 4.178 0.01 . 1 . . . . 49 V HA . 16007 1 646 . 1 1 49 49 VAL HB H 1 1.693 0.01 . 1 . . . . 49 V HB . 16007 1 647 . 1 1 49 49 VAL HG11 H 1 0.523 0.01 . 2 . . . . 49 V QG1 . 16007 1 648 . 1 1 49 49 VAL HG12 H 1 0.523 0.01 . 2 . . . . 49 V QG1 . 16007 1 649 . 1 1 49 49 VAL HG13 H 1 0.523 0.01 . 2 . . . . 49 V QG1 . 16007 1 650 . 1 1 49 49 VAL HG21 H 1 0.588 0.01 . 2 . . . . 49 V QG2 . 16007 1 651 . 1 1 49 49 VAL HG22 H 1 0.588 0.01 . 2 . . . . 49 V QG2 . 16007 1 652 . 1 1 49 49 VAL HG23 H 1 0.588 0.01 . 2 . . . . 49 V QG2 . 16007 1 653 . 1 1 49 49 VAL C C 13 174.070 0.080 . 1 . . . . 49 VAL C . 16007 1 654 . 1 1 49 49 VAL CA C 13 60.840 0.2 . 1 . . . . 49 V CA . 16007 1 655 . 1 1 49 49 VAL CB C 13 34.134 0.2 . 1 . . . . 49 V CB . 16007 1 656 . 1 1 49 49 VAL CG1 C 13 20.891 0.2 . 2 . . . . 49 V CG1 . 16007 1 657 . 1 1 49 49 VAL CG2 C 13 23.103 0.2 . 2 . . . . 49 V CG2 . 16007 1 658 . 1 1 49 49 VAL N N 15 114.800 0.2 . 1 . . . . 49 V N . 16007 1 659 . 1 1 50 50 ASN H H 1 8.897 0.01 . 1 . . . . 50 N H . 16007 1 660 . 1 1 50 50 ASN HA H 1 4.684 0.01 . 1 . . . . 50 N HA . 16007 1 661 . 1 1 50 50 ASN HB2 H 1 2.965 0.01 . 2 . . . . 50 N HB2 . 16007 1 662 . 1 1 50 50 ASN HB3 H 1 2.389 0.01 . 2 . . . . 50 N HB3 . 16007 1 663 . 1 1 50 50 ASN HD21 H 1 7.400 0.01 . 2 . . . . 50 N HD21 . 16007 1 664 . 1 1 50 50 ASN HD22 H 1 6.705 0.01 . 2 . . . . 50 N HD22 . 16007 1 665 . 1 1 50 50 ASN C C 13 173.550 0.080 . 1 . . . . 50 ASN C . 16007 1 666 . 1 1 50 50 ASN CA C 13 51.610 0.2 . 1 . . . . 50 N CA . 16007 1 667 . 1 1 50 50 ASN CB C 13 39.730 0.2 . 1 . . . . 50 N CB . 16007 1 668 . 1 1 50 50 ASN N N 15 126.400 0.2 . 1 . . . . 50 N N . 16007 1 669 . 1 1 50 50 ASN ND2 N 15 109.773 0.2 . 1 . . . . 50 N ND2 . 16007 1 670 . 1 1 51 51 VAL H H 1 7.587 0.01 . 1 . . . . 51 V H . 16007 1 671 . 1 1 51 51 VAL HA H 1 4.148 0.01 . 1 . . . . 51 V HA . 16007 1 672 . 1 1 51 51 VAL HB H 1 1.513 0.01 . 1 . . . . 51 V HB . 16007 1 673 . 1 1 51 51 VAL HG11 H 1 0.815 0.01 . 2 . . . . 51 V QG1 . 16007 1 674 . 1 1 51 51 VAL HG12 H 1 0.815 0.01 . 2 . . . . 51 V QG1 . 16007 1 675 . 1 1 51 51 VAL HG13 H 1 0.815 0.01 . 2 . . . . 51 V QG1 . 16007 1 676 . 1 1 51 51 VAL HG21 H 1 0.615 0.01 . 2 . . . . 51 V QG2 . 16007 1 677 . 1 1 51 51 VAL HG22 H 1 0.615 0.01 . 2 . . . . 51 V QG2 . 16007 1 678 . 1 1 51 51 VAL HG23 H 1 0.615 0.01 . 2 . . . . 51 V QG2 . 16007 1 679 . 1 1 51 51 VAL C C 13 174.350 0.080 . 1 . . . . 51 VAL C . 16007 1 680 . 1 1 51 51 VAL CA C 13 61.280 0.2 . 1 . . . . 51 V CA . 16007 1 681 . 1 1 51 51 VAL CB C 13 35.206 0.2 . 1 . . . . 51 V CB . 16007 1 682 . 1 1 51 51 VAL CG1 C 13 21.870 0.2 . 2 . . . . 51 V CG1 . 16007 1 683 . 1 1 51 51 VAL CG2 C 13 22.611 0.2 . 2 . . . . 51 V CG2 . 16007 1 684 . 1 1 51 51 VAL N N 15 122.670 0.2 . 1 . . . . 51 V N . 16007 1 685 . 1 1 52 52 GLN H H 1 8.337 0.01 . 1 . . . . 52 Q H . 16007 1 686 . 1 1 52 52 GLN HA H 1 4.094 0.01 . 1 . . . . 52 Q HA . 16007 1 687 . 1 1 52 52 GLN HB2 H 1 1.776 0.01 . 2 . . . . 52 Q HB2 . 16007 1 688 . 1 1 52 52 GLN HB3 H 1 2.066 0.01 . 2 . . . . 52 Q HB3 . 16007 1 689 . 1 1 52 52 GLN HE21 H 1 7.543 0.01 . 2 . . . . 52 Q HE21 . 16007 1 690 . 1 1 52 52 GLN HE22 H 1 6.417 0.01 . 2 . . . . 52 Q HE22 . 16007 1 691 . 1 1 52 52 GLN HG2 H 1 2.237 0.01 . 2 . . . . 52 Q QG . 16007 1 692 . 1 1 52 52 GLN HG3 H 1 2.237 0.01 . 2 . . . . 52 Q QG . 16007 1 693 . 1 1 52 52 GLN C C 13 176.240 0.080 . 1 . . . . 52 GLN C . 16007 1 694 . 1 1 52 52 GLN CA C 13 56.560 0.2 . 1 . . . . 52 Q CA . 16007 1 695 . 1 1 52 52 GLN CB C 13 29.745 0.2 . 1 . . . . 52 Q CB . 16007 1 696 . 1 1 52 52 GLN CG C 13 34.124 0.2 . 1 . . . . 52 Q CG . 16007 1 697 . 1 1 52 52 GLN N N 15 122.670 0.2 . 1 . . . . 52 Q N . 16007 1 698 . 1 1 52 52 GLN NE2 N 15 113.619 0.2 . 1 . . . . 52 Q NE2 . 16007 1 699 . 1 1 53 53 LYS H H 1 7.363 0.01 . 1 . . . . 53 K H . 16007 1 700 . 1 1 53 53 LYS HA H 1 3.994 0.01 . 1 . . . . 53 K HA . 16007 1 701 . 1 1 53 53 LYS HB2 H 1 1.516 0.01 . 2 . . . . 53 K HB2 . 16007 1 702 . 1 1 53 53 LYS HB3 H 1 1.659 0.01 . 2 . . . . 53 K HB3 . 16007 1 703 . 1 1 53 53 LYS HD2 H 1 1.564 0.01 . 2 . . . . 53 K QD . 16007 1 704 . 1 1 53 53 LYS HD3 H 1 1.564 0.01 . 2 . . . . 53 K QD . 16007 1 705 . 1 1 53 53 LYS HE2 H 1 2.860 0.01 . 2 . . . . 53 K QE . 16007 1 706 . 1 1 53 53 LYS HE3 H 1 2.860 0.01 . 2 . . . . 53 K QE . 16007 1 707 . 1 1 53 53 LYS HG2 H 1 1.269 0.01 . 2 . . . . 53 K HG2 . 16007 1 708 . 1 1 53 53 LYS HG3 H 1 1.099 0.01 . 2 . . . . 53 K HG3 . 16007 1 709 . 1 1 53 53 LYS C C 13 176.010 0.080 . 1 . . . . 53 LYS C . 16007 1 710 . 1 1 53 53 LYS CA C 13 56.960 0.2 . 1 . . . . 53 K CA . 16007 1 711 . 1 1 53 53 LYS CB C 13 33.000 0.2 . 1 . . . . 53 K CB . 16007 1 712 . 1 1 53 53 LYS CD C 13 29.523 0.2 . 1 . . . . 53 K CD . 16007 1 713 . 1 1 53 53 LYS CE C 13 42.100 0.2 . 1 . . . . 53 K CE . 16007 1 714 . 1 1 53 53 LYS CG C 13 24.724 0.2 . 1 . . . . 53 K CG . 16007 1 715 . 1 1 53 53 LYS N N 15 119.940 0.2 . 1 . . . . 53 K N . 16007 1 716 . 1 1 54 54 MET H H 1 8.797 0.01 . 1 . . . . 54 M H . 16007 1 717 . 1 1 54 54 MET HA H 1 4.449 0.01 . 1 . . . . 54 M HA . 16007 1 718 . 1 1 54 54 MET HB2 H 1 2.191 0.01 . 2 . . . . 54 M HB2 . 16007 1 719 . 1 1 54 54 MET HB3 H 1 1.191 0.01 . 2 . . . . 54 M HB3 . 16007 1 720 . 1 1 54 54 MET HE1 H 1 1.996 0.01 . 1 . . . . 54 M HE . 16007 1 721 . 1 1 54 54 MET HE2 H 1 1.996 0.01 . 1 . . . . 54 M HE . 16007 1 722 . 1 1 54 54 MET HE3 H 1 1.996 0.01 . 1 . . . . 54 M HE . 16007 1 723 . 1 1 54 54 MET HG2 H 1 2.562 0.01 . 2 . . . . 54 M HG2 . 16007 1 724 . 1 1 54 54 MET HG3 H 1 2.272 0.01 . 2 . . . . 54 M HG3 . 16007 1 725 . 1 1 54 54 MET C C 13 174.630 0.080 . 1 . . . . 54 MET C . 16007 1 726 . 1 1 54 54 MET CA C 13 54.530 0.2 . 1 . . . . 54 M CA . 16007 1 727 . 1 1 54 54 MET CB C 13 36.912 0.2 . 1 . . . . 54 M CB . 16007 1 728 . 1 1 54 54 MET CE C 13 17.823 0.2 . 1 . . . . 54 M CE . 16007 1 729 . 1 1 54 54 MET CG C 13 32.349 0.2 . 1 . . . . 54 M CG . 16007 1 730 . 1 1 54 54 MET N N 15 124.720 0.2 . 1 . . . . 54 M N . 16007 1 731 . 1 1 55 55 GLU H H 1 9.773 0.01 . 1 . . . . 55 E H . 16007 1 732 . 1 1 55 55 GLU HA H 1 4.029 0.01 . 1 . . . . 55 E HA . 16007 1 733 . 1 1 55 55 GLU HB2 H 1 1.728 0.01 . 2 . . . . 55 E HB2 . 16007 1 734 . 1 1 55 55 GLU HB3 H 1 2.051 0.01 . 2 . . . . 55 E HB3 . 16007 1 735 . 1 1 55 55 GLU HG2 H 1 2.228 0.01 . 2 . . . . 55 E HG2 . 16007 1 736 . 1 1 55 55 GLU HG3 H 1 2.724 0.01 . 2 . . . . 55 E HG3 . 16007 1 737 . 1 1 55 55 GLU C C 13 176.930 0.080 . 1 . . . . 55 GLU C . 16007 1 738 . 1 1 55 55 GLU CA C 13 59.910 0.2 . 1 . . . . 55 E CA . 16007 1 739 . 1 1 55 55 GLU CB C 13 29.611 0.2 . 1 . . . . 55 E CB . 16007 1 740 . 1 1 55 55 GLU CG C 13 37.195 0.2 . 1 . . . . 55 E CG . 16007 1 741 . 1 1 55 55 GLU N N 15 124.250 0.2 . 1 . . . . 55 E N . 16007 1 742 . 1 1 56 56 ASN H H 1 8.371 0.01 . 1 . . . . 56 N H . 16007 1 743 . 1 1 56 56 ASN HA H 1 5.163 0.01 . 1 . . . . 56 N HA . 16007 1 744 . 1 1 56 56 ASN HB2 H 1 2.955 0.01 . 2 . . . . 56 N HB2 . 16007 1 745 . 1 1 56 56 ASN HB3 H 1 2.417 0.01 . 2 . . . . 56 N HB3 . 16007 1 746 . 1 1 56 56 ASN HD21 H 1 8.121 0.01 . 2 . . . . 56 N HD21 . 16007 1 747 . 1 1 56 56 ASN HD22 H 1 7.095 0.01 . 2 . . . . 56 N HD22 . 16007 1 748 . 1 1 56 56 ASN CA C 13 50.680 0.2 . 1 . . . . 56 N CA . 16007 1 749 . 1 1 56 56 ASN CB C 13 39.563 0.2 . 1 . . . . 56 N CB . 16007 1 750 . 1 1 56 56 ASN N N 15 115.600 0.2 . 1 . . . . 56 N N . 16007 1 751 . 1 1 56 56 ASN ND2 N 15 112.573 0.2 . 1 . . . . 56 N ND2 . 16007 1 752 . 1 1 57 57 PRO HA H 1 4.854 0.01 . 1 . . . . 57 P HA . 16007 1 753 . 1 1 57 57 PRO HB2 H 1 1.956 0.01 . 2 . . . . 57 P HB2 . 16007 1 754 . 1 1 57 57 PRO HB3 H 1 1.830 0.01 . 2 . . . . 57 P HB3 . 16007 1 755 . 1 1 57 57 PRO HD2 H 1 3.518 0.01 . 2 . . . . 57 P HD2 . 16007 1 756 . 1 1 57 57 PRO HD3 H 1 3.267 0.01 . 2 . . . . 57 P HD3 . 16007 1 757 . 1 1 57 57 PRO HG2 H 1 2.190 0.01 . 2 . . . . 57 P HG2 . 16007 1 758 . 1 1 57 57 PRO HG3 H 1 2.006 0.01 . 2 . . . . 57 P HG3 . 16007 1 759 . 1 1 57 57 PRO C C 13 178.760 0.080 . 1 . . . . 57 PRO C . 16007 1 760 . 1 1 57 57 PRO CA C 13 62.630 0.2 . 1 . . . . 57 P CA . 16007 1 761 . 1 1 57 57 PRO CB C 13 32.197 0.2 . 1 . . . . 57 P CB . 16007 1 762 . 1 1 57 57 PRO CD C 13 49.566 0.2 . 1 . . . . 57 P CD . 16007 1 763 . 1 1 57 57 PRO CG C 13 27.205 0.2 . 1 . . . . 57 P CG . 16007 1 764 . 1 1 58 58 ARG H H 1 9.448 0.01 . 1 . . . . 58 R H . 16007 1 765 . 1 1 58 58 ARG HA H 1 4.636 0.01 . 1 . . . . 58 R HA . 16007 1 766 . 1 1 58 58 ARG HB2 H 1 1.951 0.01 . 2 . . . . 58 R HB2 . 16007 1 767 . 1 1 58 58 ARG HB3 H 1 1.528 0.01 . 2 . . . . 58 R HB3 . 16007 1 768 . 1 1 58 58 ARG HD2 H 1 3.223 0.01 . 2 . . . . 58 R HD2 . 16007 1 769 . 1 1 58 58 ARG HD3 H 1 3.301 0.01 . 2 . . . . 58 R HD3 . 16007 1 770 . 1 1 58 58 ARG HE H 1 6.880 0.01 . 1 . . . . 58 R HE . 16007 1 771 . 1 1 58 58 ARG HG2 H 1 1.671 0.01 . 2 . . . . 58 R HG2 . 16007 1 772 . 1 1 58 58 ARG HG3 H 1 1.593 0.01 . 2 . . . . 58 R HG3 . 16007 1 773 . 1 1 58 58 ARG C C 13 175.430 0.080 . 1 . . . . 58 ARG C . 16007 1 774 . 1 1 58 58 ARG CA C 13 54.210 0.2 . 1 . . . . 58 R CA . 16007 1 775 . 1 1 58 58 ARG CB C 13 34.208 0.2 . 1 . . . . 58 R CB . 16007 1 776 . 1 1 58 58 ARG CD C 13 43.095 0.2 . 1 . . . . 58 R CD . 16007 1 777 . 1 1 58 58 ARG CG C 13 26.510 0.2 . 1 . . . . 58 R CG . 16007 1 778 . 1 1 58 58 ARG N N 15 122.690 0.2 . 1 . . . . 58 R N . 16007 1 779 . 1 1 58 58 ARG NE N 15 85.757 0.2 . 1 . . . . 58 R NE . 16007 1 780 . 1 1 59 59 GLU H H 1 8.694 0.01 . 1 . . . . 59 E H . 16007 1 781 . 1 1 59 59 GLU HA H 1 4.096 0.01 . 1 . . . . 59 E HA . 16007 1 782 . 1 1 59 59 GLU HB2 H 1 2.069 0.01 . 2 . . . . 59 E HB2 . 16007 1 783 . 1 1 59 59 GLU HB3 H 1 1.786 0.01 . 2 . . . . 59 E HB3 . 16007 1 784 . 1 1 59 59 GLU HG2 H 1 2.082 0.01 . 2 . . . . 59 E HG2 . 16007 1 785 . 1 1 59 59 GLU HG3 H 1 2.224 0.01 . 2 . . . . 59 E HG3 . 16007 1 786 . 1 1 59 59 GLU C C 13 175.210 0.080 . 1 . . . . 59 GLU C . 16007 1 787 . 1 1 59 59 GLU CA C 13 56.470 0.2 . 1 . . . . 59 E CA . 16007 1 788 . 1 1 59 59 GLU CB C 13 31.074 0.2 . 1 . . . . 59 E CB . 16007 1 789 . 1 1 59 59 GLU CG C 13 37.581 0.2 . 1 . . . . 59 E CG . 16007 1 790 . 1 1 59 59 GLU N N 15 119.520 0.2 . 1 . . . . 59 E N . 16007 1 791 . 1 1 60 60 VAL H H 1 7.296 0.01 . 1 . . . . 60 V H . 16007 1 792 . 1 1 60 60 VAL HA H 1 4.471 0.01 . 1 . . . . 60 V HA . 16007 1 793 . 1 1 60 60 VAL HB H 1 1.804 0.01 . 1 . . . . 60 V HB . 16007 1 794 . 1 1 60 60 VAL HG11 H 1 0.810 0.01 . 2 . . . . 60 V QG1 . 16007 1 795 . 1 1 60 60 VAL HG12 H 1 0.810 0.01 . 2 . . . . 60 V QG1 . 16007 1 796 . 1 1 60 60 VAL HG13 H 1 0.810 0.01 . 2 . . . . 60 V QG1 . 16007 1 797 . 1 1 60 60 VAL HG21 H 1 0.766 0.01 . 2 . . . . 60 V QG2 . 16007 1 798 . 1 1 60 60 VAL HG22 H 1 0.766 0.01 . 2 . . . . 60 V QG2 . 16007 1 799 . 1 1 60 60 VAL HG23 H 1 0.766 0.01 . 2 . . . . 60 V QG2 . 16007 1 800 . 1 1 60 60 VAL C C 13 174.900 0.080 . 1 . . . . 60 VAL C . 16007 1 801 . 1 1 60 60 VAL CA C 13 61.058 0.2 . 1 . . . . 60 V CA . 16007 1 802 . 1 1 60 60 VAL CB C 13 35.056 0.2 . 1 . . . . 60 V CB . 16007 1 803 . 1 1 60 60 VAL CG1 C 13 21.966 0.2 . 2 . . . . 60 V CG1 . 16007 1 804 . 1 1 60 60 VAL CG2 C 13 21.196 0.2 . 2 . . . . 60 V CG2 . 16007 1 805 . 1 1 60 60 VAL N N 15 117.380 0.2 . 1 . . . . 60 V N . 16007 1 806 . 1 1 61 61 VAL H H 1 8.064 0.01 . 1 . . . . 61 V H . 16007 1 807 . 1 1 61 61 VAL HA H 1 4.540 0.01 . 1 . . . . 61 V HA . 16007 1 808 . 1 1 61 61 VAL HB H 1 2.229 0.01 . 1 . . . . 61 V HB . 16007 1 809 . 1 1 61 61 VAL HG11 H 1 -0.697 0.01 . 2 . . . . 61 V QG1 . 16007 1 810 . 1 1 61 61 VAL HG12 H 1 -0.697 0.01 . 2 . . . . 61 V QG1 . 16007 1 811 . 1 1 61 61 VAL HG13 H 1 -0.697 0.01 . 2 . . . . 61 V QG1 . 16007 1 812 . 1 1 61 61 VAL HG21 H 1 0.039 0.01 . 2 . . . . 61 V QG2 . 16007 1 813 . 1 1 61 61 VAL HG22 H 1 0.039 0.01 . 2 . . . . 61 V QG2 . 16007 1 814 . 1 1 61 61 VAL HG23 H 1 0.039 0.01 . 2 . . . . 61 V QG2 . 16007 1 815 . 1 1 61 61 VAL C C 13 172.880 0.080 . 1 . . . . 61 VAL C . 16007 1 816 . 1 1 61 61 VAL CA C 13 58.820 0.2 . 1 . . . . 61 V CA . 16007 1 817 . 1 1 61 61 VAL CB C 13 33.464 0.2 . 1 . . . . 61 V CB . 16007 1 818 . 1 1 61 61 VAL CG1 C 13 16.638 0.2 . 2 . . . . 61 V CG1 . 16007 1 819 . 1 1 61 61 VAL CG2 C 13 21.621 0.2 . 2 . . . . 61 V CG2 . 16007 1 820 . 1 1 61 61 VAL N N 15 117.630 0.2 . 1 . . . . 61 V N . 16007 1 821 . 1 1 62 62 GLU H H 1 8.620 0.01 . 1 . . . . 62 E H . 16007 1 822 . 1 1 62 62 GLU HA H 1 4.543 0.01 . 1 . . . . 62 E HA . 16007 1 823 . 1 1 62 62 GLU HB2 H 1 1.943 0.01 . 2 . . . . 62 E HB2 . 16007 1 824 . 1 1 62 62 GLU HB3 H 1 1.659 0.01 . 2 . . . . 62 E HB3 . 16007 1 825 . 1 1 62 62 GLU HG2 H 1 2.222 0.01 . 2 . . . . 62 E HG2 . 16007 1 826 . 1 1 62 62 GLU HG3 H 1 2.100 0.01 . 2 . . . . 62 E HG3 . 16007 1 827 . 1 1 62 62 GLU C C 13 176.350 0.080 . 1 . . . . 62 GLU C . 16007 1 828 . 1 1 62 62 GLU CA C 13 53.640 0.2 . 1 . . . . 62 E CA . 16007 1 829 . 1 1 62 62 GLU CB C 13 32.360 0.2 . 1 . . . . 62 E CB . 16007 1 830 . 1 1 62 62 GLU CG C 13 36.181 0.2 . 1 . . . . 62 E CG . 16007 1 831 . 1 1 62 62 GLU N N 15 118.060 0.2 . 1 . . . . 62 E N . 16007 1 832 . 1 1 63 63 ILE H H 1 8.520 0.01 . 1 . . . . 63 I H . 16007 1 833 . 1 1 63 63 ILE HA H 1 3.275 0.01 . 1 . . . . 63 I HA . 16007 1 834 . 1 1 63 63 ILE HB H 1 1.670 0.01 . 1 . . . . 63 I HB . 16007 1 835 . 1 1 63 63 ILE HD11 H 1 0.825 0.01 . 1 . . . . 63 I QD1 . 16007 1 836 . 1 1 63 63 ILE HD12 H 1 0.825 0.01 . 1 . . . . 63 I QD1 . 16007 1 837 . 1 1 63 63 ILE HD13 H 1 0.825 0.01 . 1 . . . . 63 I QD1 . 16007 1 838 . 1 1 63 63 ILE HG12 H 1 1.600 0.01 . 2 . . . . 63 I HG12 . 16007 1 839 . 1 1 63 63 ILE HG13 H 1 0.726 0.01 . 2 . . . . 63 I HG13 . 16007 1 840 . 1 1 63 63 ILE HG21 H 1 0.881 0.01 . 1 . . . . 63 I QG2 . 16007 1 841 . 1 1 63 63 ILE HG22 H 1 0.881 0.01 . 1 . . . . 63 I QG2 . 16007 1 842 . 1 1 63 63 ILE HG23 H 1 0.881 0.01 . 1 . . . . 63 I QG2 . 16007 1 843 . 1 1 63 63 ILE C C 13 177.940 0.080 . 1 . . . . 63 ILE C . 16007 1 844 . 1 1 63 63 ILE CA C 13 64.410 0.2 . 1 . . . . 63 I CA . 16007 1 845 . 1 1 63 63 ILE CB C 13 37.674 0.2 . 1 . . . . 63 I CB . 16007 1 846 . 1 1 63 63 ILE CD1 C 13 13.543 0.2 . 1 . . . . 63 I CD1 . 16007 1 847 . 1 1 63 63 ILE CG1 C 13 29.558 0.2 . 1 . . . . 63 I CG1 . 16007 1 848 . 1 1 63 63 ILE CG2 C 13 17.771 0.2 . 1 . . . . 63 I CG2 . 16007 1 849 . 1 1 63 63 ILE N N 15 120.310 0.2 . 1 . . . . 63 I N . 16007 1 850 . 1 1 64 64 GLY H H 1 9.091 0.01 . 1 . . . . 64 G H . 16007 1 851 . 1 1 64 64 GLY HA2 H 1 3.563 0.01 . 2 . . . . 64 G HA2 . 16007 1 852 . 1 1 64 64 GLY HA3 H 1 4.774 0.01 . 2 . . . . 64 G HA3 . 16007 1 853 . 1 1 64 64 GLY C C 13 173.290 0.080 . 1 . . . . 64 GLY C . 16007 1 854 . 1 1 64 64 GLY CA C 13 45.359 0.2 . 1 . . . . 64 G CA . 16007 1 855 . 1 1 64 64 GLY N N 15 116.340 0.2 . 1 . . . . 64 G N . 16007 1 856 . 1 1 65 65 ASP H H 1 8.335 0.01 . 1 . . . . 65 D H . 16007 1 857 . 1 1 65 65 ASP HA H 1 4.914 0.01 . 1 . . . . 65 D HA . 16007 1 858 . 1 1 65 65 ASP HB2 H 1 2.362 0.01 . 2 . . . . 65 D HB2 . 16007 1 859 . 1 1 65 65 ASP HB3 H 1 2.985 0.01 . 2 . . . . 65 D HB3 . 16007 1 860 . 1 1 65 65 ASP C C 13 175.180 0.080 . 1 . . . . 65 ASP C . 16007 1 861 . 1 1 65 65 ASP CA C 13 56.630 0.2 . 1 . . . . 65 D CA . 16007 1 862 . 1 1 65 65 ASP CB C 13 41.980 0.2 . 1 . . . . 65 D CB . 16007 1 863 . 1 1 65 65 ASP N N 15 121.610 0.2 . 1 . . . . 65 D N . 16007 1 864 . 1 1 66 66 VAL H H 1 7.580 0.01 . 1 . . . . 66 V H . 16007 1 865 . 1 1 66 66 VAL HA H 1 5.085 0.01 . 1 . . . . 66 V HA . 16007 1 866 . 1 1 66 66 VAL HB H 1 1.383 0.01 . 1 . . . . 66 V HB . 16007 1 867 . 1 1 66 66 VAL HG11 H 1 1.033 0.01 . 2 . . . . 66 V QG1 . 16007 1 868 . 1 1 66 66 VAL HG12 H 1 1.033 0.01 . 2 . . . . 66 V QG1 . 16007 1 869 . 1 1 66 66 VAL HG13 H 1 1.033 0.01 . 2 . . . . 66 V QG1 . 16007 1 870 . 1 1 66 66 VAL HG21 H 1 0.869 0.01 . 2 . . . . 66 V QG2 . 16007 1 871 . 1 1 66 66 VAL HG22 H 1 0.869 0.01 . 2 . . . . 66 V QG2 . 16007 1 872 . 1 1 66 66 VAL HG23 H 1 0.869 0.01 . 2 . . . . 66 V QG2 . 16007 1 873 . 1 1 66 66 VAL C C 13 176.170 0.080 . 1 . . . . 66 VAL C . 16007 1 874 . 1 1 66 66 VAL CA C 13 60.240 0.2 . 1 . . . . 66 V CA . 16007 1 875 . 1 1 66 66 VAL CB C 13 33.783 0.2 . 1 . . . . 66 V CB . 16007 1 876 . 1 1 66 66 VAL CG1 C 13 21.081 0.2 . 2 . . . . 66 V CG1 . 16007 1 877 . 1 1 66 66 VAL CG2 C 13 22.187 0.2 . 2 . . . . 66 V CG2 . 16007 1 878 . 1 1 66 66 VAL N N 15 117.330 0.2 . 1 . . . . 66 V N . 16007 1 879 . 1 1 67 67 GLY H H 1 9.592 0.01 . 1 . . . . 67 G H . 16007 1 880 . 1 1 67 67 GLY HA2 H 1 5.899 0.01 . 2 . . . . 67 G HA2 . 16007 1 881 . 1 1 67 67 GLY HA3 H 1 3.200 0.01 . 2 . . . . 67 G HA3 . 16007 1 882 . 1 1 67 67 GLY C C 13 171.740 0.080 . 1 . . . . 67 GLY C . 16007 1 883 . 1 1 67 67 GLY CA C 13 43.580 0.2 . 1 . . . . 67 G CA . 16007 1 884 . 1 1 67 67 GLY N N 15 111.440 0.2 . 1 . . . . 67 G N . 16007 1 885 . 1 1 68 68 TYR H H 1 9.146 0.01 . 1 . . . . 68 Y H . 16007 1 886 . 1 1 68 68 TYR HA H 1 5.809 0.01 . 1 . . . . 68 Y HA . 16007 1 887 . 1 1 68 68 TYR HB2 H 1 2.759 0.01 . 2 . . . . 68 Y QB . 16007 1 888 . 1 1 68 68 TYR HB3 H 1 2.759 0.01 . 2 . . . . 68 Y QB . 16007 1 889 . 1 1 68 68 TYR C C 13 173.860 0.080 . 1 . . . . 68 TYR C . 16007 1 890 . 1 1 68 68 TYR CA C 13 55.900 0.2 . 1 . . . . 68 Y CA . 16007 1 891 . 1 1 68 68 TYR CB C 13 42.170 0.2 . 1 . . . . 68 Y CB . 16007 1 892 . 1 1 68 68 TYR N N 15 119.980 0.2 . 1 . . . . 68 Y N . 16007 1 893 . 1 1 69 69 TRP H H 1 9.213 0.01 . 1 . . . . 69 W H . 16007 1 894 . 1 1 69 69 TRP HA H 1 5.268 0.01 . 1 . . . . 69 W HA . 16007 1 895 . 1 1 69 69 TRP HB2 H 1 2.799 0.01 . 2 . . . . 69 W HB2 . 16007 1 896 . 1 1 69 69 TRP HB3 H 1 3.019 0.01 . 2 . . . . 69 W HB3 . 16007 1 897 . 1 1 69 69 TRP HD1 H 1 7.267 0.01 . 1 . . . . 69 W HD1 . 16007 1 898 . 1 1 69 69 TRP HE1 H 1 10.279 0.01 . 1 . . . . 69 W HE1 . 16007 1 899 . 1 1 69 69 TRP HH2 H 1 6.782 0.01 . 1 . . . . 69 W HH2 . 16007 1 900 . 1 1 69 69 TRP HZ2 H 1 7.104 0.01 . 1 . . . . 69 W HZ2 . 16007 1 901 . 1 1 69 69 TRP HZ3 H 1 6.623 0.01 . 1 . . . . 69 W HZ3 . 16007 1 902 . 1 1 69 69 TRP CA C 13 53.390 0.2 . 1 . . . . 69 W CA . 16007 1 903 . 1 1 69 69 TRP CB C 13 30.442 0.2 . 1 . . . . 69 W CB . 16007 1 904 . 1 1 69 69 TRP CD1 C 13 126.895 0.2 . 1 . . . . 69 W CD1 . 16007 1 905 . 1 1 69 69 TRP CH2 C 13 125.211 0.2 . 1 . . . . 69 W CH2 . 16007 1 906 . 1 1 69 69 TRP CZ2 C 13 114.679 0.2 . 1 . . . . 69 W CZ2 . 16007 1 907 . 1 1 69 69 TRP CZ3 C 13 122.021 0.2 . 1 . . . . 69 W CZ3 . 16007 1 908 . 1 1 69 69 TRP N N 15 132.150 0.2 . 1 . . . . 69 W N . 16007 1 909 . 1 1 69 69 TRP NE1 N 15 132.318 0.2 . 1 . . . . 69 W NE1 . 16007 1 910 . 1 1 70 70 PRO HA H 1 3.923 0.01 . 1 . . . . 70 P HA . 16007 1 911 . 1 1 70 70 PRO HB2 H 1 2.507 0.01 . 2 . . . . 70 P HB2 . 16007 1 912 . 1 1 70 70 PRO HB3 H 1 1.903 0.01 . 2 . . . . 70 P HB3 . 16007 1 913 . 1 1 70 70 PRO HD2 H 1 4.640 0.01 . 2 . . . . 70 P HD2 . 16007 1 914 . 1 1 70 70 PRO HD3 H 1 3.612 0.01 . 2 . . . . 70 P HD3 . 16007 1 915 . 1 1 70 70 PRO HG2 H 1 2.115 0.01 . 2 . . . . 70 P HG2 . 16007 1 916 . 1 1 70 70 PRO HG3 H 1 2.297 0.01 . 2 . . . . 70 P HG3 . 16007 1 917 . 1 1 70 70 PRO CA C 13 66.753 0.2 . 1 . . . . 70 P CA . 16007 1 918 . 1 1 70 70 PRO CB C 13 30.054 0.2 . 1 . . . . 70 P CB . 16007 1 919 . 1 1 70 70 PRO CD C 13 51.454 0.2 . 1 . . . . 70 P CD . 16007 1 920 . 1 1 70 70 PRO CG C 13 27.594 0.2 . 1 . . . . 70 P CG . 16007 1 921 . 1 1 71 71 PRO HA H 1 3.716 0.01 . 1 . . . . 71 P HA . 16007 1 922 . 1 1 71 71 PRO HB2 H 1 1.618 0.01 . 2 . . . . 71 P HB2 . 16007 1 923 . 1 1 71 71 PRO HB3 H 1 -0.320 0.01 . 2 . . . . 71 P HB3 . 16007 1 924 . 1 1 71 71 PRO HD2 H 1 0.793 0.01 . 2 . . . . 71 P HD2 . 16007 1 925 . 1 1 71 71 PRO HD3 H 1 3.002 0.01 . 2 . . . . 71 P HD3 . 16007 1 926 . 1 1 71 71 PRO HG2 H 1 1.410 0.01 . 2 . . . . 71 P HG2 . 16007 1 927 . 1 1 71 71 PRO HG3 H 1 1.120 0.01 . 2 . . . . 71 P HG3 . 16007 1 928 . 1 1 71 71 PRO CA C 13 65.803 0.2 . 1 . . . . 71 P CA . 16007 1 929 . 1 1 71 71 PRO CB C 13 30.620 0.2 . 1 . . . . 71 P CB . 16007 1 930 . 1 1 71 71 PRO CD C 13 49.046 0.2 . 1 . . . . 71 P CD . 16007 1 931 . 1 1 71 71 PRO CG C 13 28.161 0.2 . 1 . . . . 71 P CG . 16007 1 932 . 1 1 72 72 GLY HA2 H 1 3.168 0.01 . 2 . . . . 72 G HA2 . 16007 1 933 . 1 1 72 72 GLY HA3 H 1 4.271 0.01 . 2 . . . . 72 G HA3 . 16007 1 934 . 1 1 72 72 GLY C C 13 173.220 0.080 . 1 . . . . 72 GLY C . 16007 1 935 . 1 1 72 72 GLY CA C 13 44.350 0.2 . 1 . . . . 72 G CA . 16007 1 936 . 1 1 73 73 LYS H H 1 7.989 0.01 . 1 . . . . 73 K H . 16007 1 937 . 1 1 73 73 LYS HA H 1 3.566 0.01 . 1 . . . . 73 K HA . 16007 1 938 . 1 1 73 73 LYS HB2 H 1 2.277 0.01 . 2 . . . . 73 K HB2 . 16007 1 939 . 1 1 73 73 LYS HB3 H 1 1.939 0.01 . 2 . . . . 73 K HB3 . 16007 1 940 . 1 1 73 73 LYS HD2 H 1 1.497 0.01 . 2 . . . . 73 K QD . 16007 1 941 . 1 1 73 73 LYS HD3 H 1 1.497 0.01 . 2 . . . . 73 K QD . 16007 1 942 . 1 1 73 73 LYS HE2 H 1 2.790 0.01 . 2 . . . . 73 K QE . 16007 1 943 . 1 1 73 73 LYS HE3 H 1 2.790 0.01 . 2 . . . . 73 K QE . 16007 1 944 . 1 1 73 73 LYS HG2 H 1 1.296 0.01 . 2 . . . . 73 K QG . 16007 1 945 . 1 1 73 73 LYS HG3 H 1 1.296 0.01 . 2 . . . . 73 K QG . 16007 1 946 . 1 1 73 73 LYS C C 13 177.420 0.080 . 1 . . . . 73 LYS C . 16007 1 947 . 1 1 73 73 LYS CA C 13 57.790 0.2 . 1 . . . . 73 K CA . 16007 1 948 . 1 1 73 73 LYS CB C 13 29.398 0.2 . 1 . . . . 73 K CB . 16007 1 949 . 1 1 73 73 LYS CD C 13 30.000 0.2 . 1 . . . . 73 K CD . 16007 1 950 . 1 1 73 73 LYS CE C 13 42.163 0.2 . 1 . . . . 73 K CE . 16007 1 951 . 1 1 73 73 LYS CG C 13 25.550 0.2 . 1 . . . . 73 K CG . 16007 1 952 . 1 1 73 73 LYS N N 15 121.515 0.2 . 1 . . . . 73 K N . 16007 1 953 . 1 1 74 74 ALA H H 1 6.969 0.01 . 1 . . . . 74 A H . 16007 1 954 . 1 1 74 74 ALA HA H 1 5.123 0.01 . 1 . . . . 74 A HA . 16007 1 955 . 1 1 74 74 ALA HB1 H 1 1.290 0.01 . 1 . . . . 74 A QB . 16007 1 956 . 1 1 74 74 ALA HB2 H 1 1.290 0.01 . 1 . . . . 74 A QB . 16007 1 957 . 1 1 74 74 ALA HB3 H 1 1.290 0.01 . 1 . . . . 74 A QB . 16007 1 958 . 1 1 74 74 ALA C C 13 177.490 0.080 . 1 . . . . 74 ALA C . 16007 1 959 . 1 1 74 74 ALA CA C 13 51.900 0.2 . 1 . . . . 74 A CA . 16007 1 960 . 1 1 74 74 ALA CB C 13 23.090 0.2 . 1 . . . . 74 A CB . 16007 1 961 . 1 1 74 74 ALA N N 15 118.780 0.2 . 1 . . . . 74 A N . 16007 1 962 . 1 1 75 75 LEU H H 1 8.032 0.01 . 1 . . . . 75 L H . 16007 1 963 . 1 1 75 75 LEU HA H 1 4.844 0.01 . 1 . . . . 75 L HA . 16007 1 964 . 1 1 75 75 LEU HB2 H 1 0.752 0.01 . 2 . . . . 75 L QB . 16007 1 965 . 1 1 75 75 LEU HB3 H 1 0.752 0.01 . 2 . . . . 75 L QB . 16007 1 966 . 1 1 75 75 LEU HD11 H 1 0.867 0.01 . 2 . . . . 75 L QD1 . 16007 1 967 . 1 1 75 75 LEU HD12 H 1 0.867 0.01 . 2 . . . . 75 L QD1 . 16007 1 968 . 1 1 75 75 LEU HD13 H 1 0.867 0.01 . 2 . . . . 75 L QD1 . 16007 1 969 . 1 1 75 75 LEU HD21 H 1 0.805 0.01 . 2 . . . . 75 L QD2 . 16007 1 970 . 1 1 75 75 LEU HD22 H 1 0.805 0.01 . 2 . . . . 75 L QD2 . 16007 1 971 . 1 1 75 75 LEU HD23 H 1 0.805 0.01 . 2 . . . . 75 L QD2 . 16007 1 972 . 1 1 75 75 LEU HG H 1 1.542 0.01 . 1 . . . . 75 L HG . 16007 1 973 . 1 1 75 75 LEU C C 13 175.540 0.080 . 1 . . . . 75 LEU C . 16007 1 974 . 1 1 75 75 LEU CA C 13 54.000 0.2 . 1 . . . . 75 L CA . 16007 1 975 . 1 1 75 75 LEU CB C 13 43.858 0.2 . 1 . . . . 75 L CB . 16007 1 976 . 1 1 75 75 LEU CD1 C 13 25.372 0.2 . 2 . . . . 75 L CD1 . 16007 1 977 . 1 1 75 75 LEU CD2 C 13 25.153 0.2 . 2 . . . . 75 L CD2 . 16007 1 978 . 1 1 75 75 LEU CG C 13 27.808 0.2 . 1 . . . . 75 L CG . 16007 1 979 . 1 1 75 75 LEU N N 15 122.780 0.2 . 1 . . . . 75 L N . 16007 1 980 . 1 1 76 76 CYS H H 1 8.813 0.01 . 1 . . . . 76 C H . 16007 1 981 . 1 1 76 76 CYS HA H 1 5.178 0.01 . 1 . . . . 76 C HA . 16007 1 982 . 1 1 76 76 CYS HB2 H 1 2.148 0.01 . 2 . . . . 76 C HB2 . 16007 1 983 . 1 1 76 76 CYS HB3 H 1 2.301 0.01 . 2 . . . . 76 C HB3 . 16007 1 984 . 1 1 76 76 CYS C C 13 173.080 0.080 . 1 . . . . 76 CYS C . 16007 1 985 . 1 1 76 76 CYS CA C 13 55.850 0.2 . 1 . . . . 76 C CA . 16007 1 986 . 1 1 76 76 CYS CB C 13 31.922 0.2 . 1 . . . . 76 C CB . 16007 1 987 . 1 1 76 76 CYS N N 15 117.950 0.2 . 1 . . . . 76 C N . 16007 1 988 . 1 1 77 77 LEU H H 1 9.621 0.01 . 1 . . . . 77 L H . 16007 1 989 . 1 1 77 77 LEU HA H 1 4.741 0.01 . 1 . . . . 77 L HA . 16007 1 990 . 1 1 77 77 LEU HB2 H 1 1.912 0.01 . 2 . . . . 77 L HB2 . 16007 1 991 . 1 1 77 77 LEU HB3 H 1 1.494 0.01 . 2 . . . . 77 L HB3 . 16007 1 992 . 1 1 77 77 LEU HD11 H 1 1.007 0.01 . 2 . . . . 77 L QD1 . 16007 1 993 . 1 1 77 77 LEU HD12 H 1 1.007 0.01 . 2 . . . . 77 L QD1 . 16007 1 994 . 1 1 77 77 LEU HD13 H 1 1.007 0.01 . 2 . . . . 77 L QD1 . 16007 1 995 . 1 1 77 77 LEU HD21 H 1 0.887 0.01 . 2 . . . . 77 L QD2 . 16007 1 996 . 1 1 77 77 LEU HD22 H 1 0.887 0.01 . 2 . . . . 77 L QD2 . 16007 1 997 . 1 1 77 77 LEU HD23 H 1 0.887 0.01 . 2 . . . . 77 L QD2 . 16007 1 998 . 1 1 77 77 LEU HG H 1 1.663 0.01 . 1 . . . . 77 L HG . 16007 1 999 . 1 1 77 77 LEU C C 13 175.040 0.080 . 1 . . . . 77 LEU C . 16007 1 1000 . 1 1 77 77 LEU CA C 13 53.510 0.2 . 1 . . . . 77 L CA . 16007 1 1001 . 1 1 77 77 LEU CB C 13 44.058 0.2 . 1 . . . . 77 L CB . 16007 1 1002 . 1 1 77 77 LEU CD1 C 13 26.219 0.2 . 2 . . . . 77 L CD1 . 16007 1 1003 . 1 1 77 77 LEU CD2 C 13 25.722 0.2 . 2 . . . . 77 L CD2 . 16007 1 1004 . 1 1 77 77 LEU CG C 13 28.395 0.2 . 1 . . . . 77 L CG . 16007 1 1005 . 1 1 77 77 LEU N N 15 123.140 0.2 . 1 . . . . 77 L N . 16007 1 1006 . 1 1 78 78 PHE H H 1 7.930 0.01 . 1 . . . . 78 F H . 16007 1 1007 . 1 1 78 78 PHE HA H 1 4.809 0.01 . 1 . . . . 78 F HA . 16007 1 1008 . 1 1 78 78 PHE HB2 H 1 2.744 0.01 . 2 . . . . 78 F HB2 . 16007 1 1009 . 1 1 78 78 PHE HB3 H 1 3.158 0.01 . 2 . . . . 78 F HB3 . 16007 1 1010 . 1 1 78 78 PHE HD1 H 1 7.122 0.01 . 3 . . . . 78 F QD . 16007 1 1011 . 1 1 78 78 PHE HD2 H 1 7.122 0.01 . 3 . . . . 78 F QD . 16007 1 1012 . 1 1 78 78 PHE HE1 H 1 6.743 0.01 . 3 . . . . 78 F QE . 16007 1 1013 . 1 1 78 78 PHE HE2 H 1 6.743 0.01 . 3 . . . . 78 F QE . 16007 1 1014 . 1 1 78 78 PHE HZ H 1 6.825 0.01 . 1 . . . . 78 F HZ . 16007 1 1015 . 1 1 78 78 PHE C C 13 174.830 0.080 . 1 . . . . 78 PHE C . 16007 1 1016 . 1 1 78 78 PHE CA C 13 58.140 0.2 . 1 . . . . 78 F CA . 16007 1 1017 . 1 1 78 78 PHE CB C 13 39.603 0.2 . 1 . . . . 78 F CB . 16007 1 1018 . 1 1 78 78 PHE CD1 C 13 132.831 0.2 . 3 . . . . 78 F CD1 . 16007 1 1019 . 1 1 78 78 PHE CE1 C 13 130.004 0.2 . 3 . . . . 78 F CE1 . 16007 1 1020 . 1 1 78 78 PHE CZ C 13 128.549 0.2 . 1 . . . . 78 F CZ . 16007 1 1021 . 1 1 78 78 PHE N N 15 120.120 0.2 . 1 . . . . 78 F N . 16007 1 1022 . 1 1 79 79 PHE H H 1 8.038 0.01 . 1 . . . . 79 F H . 16007 1 1023 . 1 1 79 79 PHE HA H 1 5.029 0.01 . 1 . . . . 79 F HA . 16007 1 1024 . 1 1 79 79 PHE HB2 H 1 2.505 0.01 . 2 . . . . 79 F HB2 . 16007 1 1025 . 1 1 79 79 PHE HB3 H 1 3.441 0.01 . 2 . . . . 79 F HB3 . 16007 1 1026 . 1 1 79 79 PHE HD1 H 1 6.811 0.01 . 3 . . . . 79 F QD . 16007 1 1027 . 1 1 79 79 PHE HD2 H 1 6.811 0.01 . 3 . . . . 79 F QD . 16007 1 1028 . 1 1 79 79 PHE HE1 H 1 6.942 0.01 . 3 . . . . 79 F QE . 16007 1 1029 . 1 1 79 79 PHE HE2 H 1 6.942 0.01 . 3 . . . . 79 F QE . 16007 1 1030 . 1 1 79 79 PHE HZ H 1 7.048 0.01 . 1 . . . . 79 F HZ . 16007 1 1031 . 1 1 79 79 PHE C C 13 172.070 0.080 . 1 . . . . 79 PHE C . 16007 1 1032 . 1 1 79 79 PHE CA C 13 55.630 0.2 . 1 . . . . 79 F CA . 16007 1 1033 . 1 1 79 79 PHE CB C 13 39.003 0.2 . 1 . . . . 79 F CB . 16007 1 1034 . 1 1 79 79 PHE CD1 C 13 133.426 0.2 . 3 . . . . 79 F CD1 . 16007 1 1035 . 1 1 79 79 PHE CE1 C 13 130.462 0.2 . 3 . . . . 79 F CE1 . 16007 1 1036 . 1 1 79 79 PHE CZ C 13 129.587 0.2 . 1 . . . . 79 F CZ . 16007 1 1037 . 1 1 79 79 PHE N N 15 119.040 0.2 . 1 . . . . 79 F N . 16007 1 1038 . 1 1 80 80 GLY H H 1 7.489 0.01 . 1 . . . . 80 G H . 16007 1 1039 . 1 1 80 80 GLY HA2 H 1 3.653 0.01 . 2 . . . . 80 G HA2 . 16007 1 1040 . 1 1 80 80 GLY HA3 H 1 4.283 0.01 . 2 . . . . 80 G HA3 . 16007 1 1041 . 1 1 80 80 GLY C C 13 170.830 0.080 . 1 . . . . 80 GLY C . 16007 1 1042 . 1 1 80 80 GLY CA C 13 45.342 0.2 . 1 . . . . 80 G CA . 16007 1 1043 . 1 1 80 80 GLY N N 15 110.010 0.2 . 1 . . . . 80 G N . 16007 1 1044 . 1 1 81 81 LYS H H 1 8.186 0.01 . 1 . . . . 81 K H . 16007 1 1045 . 1 1 81 81 LYS HA H 1 4.003 0.01 . 1 . . . . 81 K HA . 16007 1 1046 . 1 1 81 81 LYS HB2 H 1 1.560 0.01 . 2 . . . . 81 K QB . 16007 1 1047 . 1 1 81 81 LYS HB3 H 1 1.560 0.01 . 2 . . . . 81 K QB . 16007 1 1048 . 1 1 81 81 LYS HD2 H 1 1.455 0.01 . 2 . . . . 81 K HD2 . 16007 1 1049 . 1 1 81 81 LYS HD3 H 1 1.523 0.01 . 2 . . . . 81 K HD3 . 16007 1 1050 . 1 1 81 81 LYS HE2 H 1 2.759 0.01 . 2 . . . . 81 K QE . 16007 1 1051 . 1 1 81 81 LYS HE3 H 1 2.759 0.01 . 2 . . . . 81 K QE . 16007 1 1052 . 1 1 81 81 LYS HG2 H 1 1.209 0.01 . 2 . . . . 81 K HG2 . 16007 1 1053 . 1 1 81 81 LYS HG3 H 1 1.366 0.01 . 2 . . . . 81 K HG3 . 16007 1 1054 . 1 1 81 81 LYS C C 13 177.530 0.080 . 1 . . . . 81 LYS C . 16007 1 1055 . 1 1 81 81 LYS CA C 13 57.730 0.2 . 1 . . . . 81 K CA . 16007 1 1056 . 1 1 81 81 LYS CB C 13 33.293 0.2 . 1 . . . . 81 K CB . 16007 1 1057 . 1 1 81 81 LYS CD C 13 29.703 0.2 . 1 . . . . 81 K CD . 16007 1 1058 . 1 1 81 81 LYS CE C 13 42.282 0.2 . 1 . . . . 81 K CE . 16007 1 1059 . 1 1 81 81 LYS CG C 13 25.847 0.2 . 1 . . . . 81 K CG . 16007 1 1060 . 1 1 81 81 LYS N N 15 117.260 0.2 . 1 . . . . 81 K N . 16007 1 1061 . 1 1 82 82 THR H H 1 8.076 0.01 . 1 . . . . 82 T H . 16007 1 1062 . 1 1 82 82 THR HA H 1 4.423 0.01 . 1 . . . . 82 T HA . 16007 1 1063 . 1 1 82 82 THR HB H 1 3.798 0.01 . 1 . . . . 82 T HB . 16007 1 1064 . 1 1 82 82 THR HG21 H 1 1.180 0.01 . 1 . . . . 82 T QG2 . 16007 1 1065 . 1 1 82 82 THR HG22 H 1 1.180 0.01 . 1 . . . . 82 T QG2 . 16007 1 1066 . 1 1 82 82 THR HG23 H 1 1.180 0.01 . 1 . . . . 82 T QG2 . 16007 1 1067 . 1 1 82 82 THR CA C 13 59.230 0.2 . 1 . . . . 82 T CA . 16007 1 1068 . 1 1 82 82 THR CB C 13 68.310 0.2 . 1 . . . . 82 T CB . 16007 1 1069 . 1 1 82 82 THR CG2 C 13 21.304 0.2 . 1 . . . . 82 T CG2 . 16007 1 1070 . 1 1 82 82 THR N N 15 113.611 0.2 . 1 . . . . 82 T N . 16007 1 1071 . 1 1 83 83 PRO HA H 1 4.090 0.01 . 1 . . . . 83 P HA . 16007 1 1072 . 1 1 83 83 PRO HB2 H 1 2.127 0.01 . 2 . . . . 83 P QB . 16007 1 1073 . 1 1 83 83 PRO HB3 H 1 2.127 0.01 . 2 . . . . 83 P QB . 16007 1 1074 . 1 1 83 83 PRO HD2 H 1 2.687 0.01 . 2 . . . . 83 P QD . 16007 1 1075 . 1 1 83 83 PRO HD3 H 1 2.687 0.01 . 2 . . . . 83 P QD . 16007 1 1076 . 1 1 83 83 PRO HG2 H 1 1.285 0.01 . 2 . . . . 83 P QG . 16007 1 1077 . 1 1 83 83 PRO HG3 H 1 1.285 0.01 . 2 . . . . 83 P QG . 16007 1 1078 . 1 1 83 83 PRO CA C 13 63.743 0.2 . 1 . . . . 83 P CA . 16007 1 1079 . 1 1 83 83 PRO CB C 13 32.167 0.2 . 1 . . . . 83 P CB . 16007 1 1080 . 1 1 83 83 PRO CD C 13 50.000 0.2 . 1 . . . . 83 P CD . 16007 1 1081 . 1 1 83 83 PRO CG C 13 27.552 0.2 . 1 . . . . 83 P CG . 16007 1 1082 . 1 1 84 84 MET HA H 1 4.220 0.01 . 1 . . . . 84 M HA . 16007 1 1083 . 1 1 84 84 MET HB2 H 1 2.006 0.01 . 2 . . . . 84 M HB2 . 16007 1 1084 . 1 1 84 84 MET HB3 H 1 1.837 0.01 . 2 . . . . 84 M HB3 . 16007 1 1085 . 1 1 84 84 MET HE1 H 1 2.042 0.01 . 1 . . . . 84 M HE . 16007 1 1086 . 1 1 84 84 MET HE2 H 1 2.042 0.01 . 1 . . . . 84 M HE . 16007 1 1087 . 1 1 84 84 MET HE3 H 1 2.042 0.01 . 1 . . . . 84 M HE . 16007 1 1088 . 1 1 84 84 MET HG2 H 1 2.446 0.01 . 2 . . . . 84 M HG2 . 16007 1 1089 . 1 1 84 84 MET HG3 H 1 2.513 0.01 . 2 . . . . 84 M HG3 . 16007 1 1090 . 1 1 84 84 MET C C 13 175.920 0.080 . 1 . . . . 84 MET C . 16007 1 1091 . 1 1 84 84 MET CA C 13 55.880 0.2 . 1 . . . . 84 M CA . 16007 1 1092 . 1 1 84 84 MET CB C 13 33.070 0.2 . 1 . . . . 84 M CB . 16007 1 1093 . 1 1 84 84 MET CE C 13 17.165 0.2 . 1 . . . . 84 M CE . 16007 1 1094 . 1 1 84 84 MET CG C 13 32.753 0.2 . 1 . . . . 84 M CG . 16007 1 1095 . 1 1 85 85 SER H H 1 7.256 0.01 . 1 . . . . 85 S H . 16007 1 1096 . 1 1 85 85 SER HA H 1 4.401 0.01 . 1 . . . . 85 S HA . 16007 1 1097 . 1 1 85 85 SER HB2 H 1 3.717 0.01 . 2 . . . . 85 S HB2 . 16007 1 1098 . 1 1 85 85 SER HB3 H 1 3.856 0.01 . 2 . . . . 85 S HB3 . 16007 1 1099 . 1 1 85 85 SER C C 13 173.380 0.080 . 1 . . . . 85 SER C . 16007 1 1100 . 1 1 85 85 SER CA C 13 58.230 0.2 . 1 . . . . 85 S CA . 16007 1 1101 . 1 1 85 85 SER CB C 13 64.290 0.2 . 1 . . . . 85 S CB . 16007 1 1102 . 1 1 85 85 SER N N 15 111.370 0.2 . 1 . . . . 85 S N . 16007 1 1103 . 1 1 86 86 ASP H H 1 8.517 0.01 . 1 . . . . 86 D H . 16007 1 1104 . 1 1 86 86 ASP HA H 1 4.692 0.01 . 1 . . . . 86 D HA . 16007 1 1105 . 1 1 86 86 ASP HB2 H 1 2.624 0.01 . 2 . . . . 86 D HB2 . 16007 1 1106 . 1 1 86 86 ASP HB3 H 1 2.583 0.01 . 2 . . . . 86 D HB3 . 16007 1 1107 . 1 1 86 86 ASP C C 13 175.860 0.080 . 1 . . . . 86 ASP C . 16007 1 1108 . 1 1 86 86 ASP CA C 13 54.150 0.2 . 1 . . . . 86 D CA . 16007 1 1109 . 1 1 86 86 ASP CB C 13 41.360 0.2 . 1 . . . . 86 D CB . 16007 1 1110 . 1 1 86 86 ASP N N 15 123.320 0.2 . 1 . . . . 86 D N . 16007 1 1111 . 1 1 87 87 ASP H H 1 8.412 0.01 . 1 . . . . 87 D H . 16007 1 1112 . 1 1 87 87 ASP HA H 1 4.529 0.01 . 1 . . . . 87 D HA . 16007 1 1113 . 1 1 87 87 ASP HB2 H 1 2.567 0.01 . 2 . . . . 87 D HB2 . 16007 1 1114 . 1 1 87 87 ASP HB3 H 1 2.623 0.01 . 2 . . . . 87 D HB3 . 16007 1 1115 . 1 1 87 87 ASP C C 13 175.270 0.080 . 1 . . . . 87 ASP C . 16007 1 1116 . 1 1 87 87 ASP CA C 13 54.870 0.2 . 1 . . . . 87 D CA . 16007 1 1117 . 1 1 87 87 ASP CB C 13 41.580 0.2 . 1 . . . . 87 D CB . 16007 1 1118 . 1 1 87 87 ASP N N 15 118.900 0.2 . 1 . . . . 87 D N . 16007 1 1119 . 1 1 88 88 LYS H H 1 7.869 0.01 . 1 . . . . 88 K H . 16007 1 1120 . 1 1 88 88 LYS HA H 1 4.372 0.01 . 1 . . . . 88 K HA . 16007 1 1121 . 1 1 88 88 LYS HB2 H 1 1.621 0.01 . 2 . . . . 88 K HB2 . 16007 1 1122 . 1 1 88 88 LYS HB3 H 1 1.729 0.01 . 2 . . . . 88 K HB3 . 16007 1 1123 . 1 1 88 88 LYS HD2 H 1 1.499 0.01 . 2 . . . . 88 K HD2 . 16007 1 1124 . 1 1 88 88 LYS HD3 H 1 1.563 0.01 . 2 . . . . 88 K HD3 . 16007 1 1125 . 1 1 88 88 LYS HE2 H 1 2.852 0.01 . 2 . . . . 88 K QE . 16007 1 1126 . 1 1 88 88 LYS HE3 H 1 2.852 0.01 . 2 . . . . 88 K QE . 16007 1 1127 . 1 1 88 88 LYS HG2 H 1 1.305 0.01 . 2 . . . . 88 K HG2 . 16007 1 1128 . 1 1 88 88 LYS HG3 H 1 1.200 0.01 . 2 . . . . 88 K HG3 . 16007 1 1129 . 1 1 88 88 LYS C C 13 174.870 0.080 . 1 . . . . 88 LYS C . 16007 1 1130 . 1 1 88 88 LYS CA C 13 54.580 0.2 . 1 . . . . 88 K CA . 16007 1 1131 . 1 1 88 88 LYS CB C 13 34.047 0.2 . 1 . . . . 88 K CB . 16007 1 1132 . 1 1 88 88 LYS CD C 13 29.552 0.2 . 1 . . . . 88 K CD . 16007 1 1133 . 1 1 88 88 LYS CE C 13 42.221 0.2 . 1 . . . . 88 K CE . 16007 1 1134 . 1 1 88 88 LYS CG C 13 24.014 0.2 . 1 . . . . 88 K CG . 16007 1 1135 . 1 1 88 88 LYS N N 15 118.310 0.2 . 1 . . . . 88 K N . 16007 1 1136 . 1 1 89 89 ILE H H 1 8.604 0.01 . 1 . . . . 89 I H . 16007 1 1137 . 1 1 89 89 ILE HA H 1 3.873 0.01 . 1 . . . . 89 I HA . 16007 1 1138 . 1 1 89 89 ILE HB H 1 1.707 0.01 . 1 . . . . 89 I HB . 16007 1 1139 . 1 1 89 89 ILE HD11 H 1 0.559 0.01 . 1 . . . . 89 I QD1 . 16007 1 1140 . 1 1 89 89 ILE HD12 H 1 0.559 0.01 . 1 . . . . 89 I QD1 . 16007 1 1141 . 1 1 89 89 ILE HD13 H 1 0.559 0.01 . 1 . . . . 89 I QD1 . 16007 1 1142 . 1 1 89 89 ILE HG12 H 1 1.377 0.01 . 2 . . . . 89 I HG12 . 16007 1 1143 . 1 1 89 89 ILE HG13 H 1 0.684 0.01 . 2 . . . . 89 I HG13 . 16007 1 1144 . 1 1 89 89 ILE HG21 H 1 0.548 0.01 . 1 . . . . 89 I QG2 . 16007 1 1145 . 1 1 89 89 ILE HG22 H 1 0.548 0.01 . 1 . . . . 89 I QG2 . 16007 1 1146 . 1 1 89 89 ILE HG23 H 1 0.548 0.01 . 1 . . . . 89 I QG2 . 16007 1 1147 . 1 1 89 89 ILE C C 13 174.480 0.080 . 1 . . . . 89 ILE C . 16007 1 1148 . 1 1 89 89 ILE CA C 13 61.890 0.2 . 1 . . . . 89 I CA . 16007 1 1149 . 1 1 89 89 ILE CB C 13 36.398 0.2 . 1 . . . . 89 I CB . 16007 1 1150 . 1 1 89 89 ILE CD1 C 13 13.553 0.2 . 1 . . . . 89 I CD1 . 16007 1 1151 . 1 1 89 89 ILE CG1 C 13 27.328 0.2 . 1 . . . . 89 I CG1 . 16007 1 1152 . 1 1 89 89 ILE CG2 C 13 19.039 0.2 . 1 . . . . 89 I CG2 . 16007 1 1153 . 1 1 89 89 ILE N N 15 121.510 0.2 . 1 . . . . 89 I N . 16007 1 1154 . 1 1 90 90 GLN H H 1 8.015 0.01 . 1 . . . . 90 Q H . 16007 1 1155 . 1 1 90 90 GLN HA H 1 5.033 0.01 . 1 . . . . 90 Q HA . 16007 1 1156 . 1 1 90 90 GLN HB2 H 1 1.883 0.01 . 2 . . . . 90 Q HB2 . 16007 1 1157 . 1 1 90 90 GLN HB3 H 1 1.579 0.01 . 2 . . . . 90 Q HB3 . 16007 1 1158 . 1 1 90 90 GLN HE21 H 1 7.115 0.01 . 2 . . . . 90 Q HE21 . 16007 1 1159 . 1 1 90 90 GLN HE22 H 1 6.659 0.01 . 2 . . . . 90 Q HE22 . 16007 1 1160 . 1 1 90 90 GLN HG2 H 1 2.179 0.01 . 2 . . . . 90 Q HG2 . 16007 1 1161 . 1 1 90 90 GLN HG3 H 1 2.328 0.01 . 2 . . . . 90 Q HG3 . 16007 1 1162 . 1 1 90 90 GLN CA C 13 52.110 0.2 . 1 . . . . 90 Q CA . 16007 1 1163 . 1 1 90 90 GLN CB C 13 32.045 0.2 . 1 . . . . 90 Q CB . 16007 1 1164 . 1 1 90 90 GLN CG C 13 34.170 0.2 . 1 . . . . 90 Q CG . 16007 1 1165 . 1 1 90 90 GLN N N 15 126.430 0.2 . 1 . . . . 90 Q N . 16007 1 1166 . 1 1 90 90 GLN NE2 N 15 109.819 0.2 . 1 . . . . 90 Q NE2 . 16007 1 1167 . 1 1 91 91 PRO HA H 1 4.508 0.01 . 1 . . . . 91 P HA . 16007 1 1168 . 1 1 91 91 PRO HB2 H 1 2.042 0.01 . 2 . . . . 91 P HB2 . 16007 1 1169 . 1 1 91 91 PRO HB3 H 1 2.204 0.01 . 2 . . . . 91 P HB3 . 16007 1 1170 . 1 1 91 91 PRO HD2 H 1 3.740 0.01 . 2 . . . . 91 P HD2 . 16007 1 1171 . 1 1 91 91 PRO HD3 H 1 3.052 0.01 . 2 . . . . 91 P HD3 . 16007 1 1172 . 1 1 91 91 PRO HG2 H 1 1.475 0.01 . 2 . . . . 91 P HG2 . 16007 1 1173 . 1 1 91 91 PRO HG3 H 1 1.670 0.01 . 2 . . . . 91 P HG3 . 16007 1 1174 . 1 1 91 91 PRO C C 13 175.210 0.080 . 1 . . . . 91 PRO C . 16007 1 1175 . 1 1 91 91 PRO CA C 13 61.680 0.2 . 1 . . . . 91 P CA . 16007 1 1176 . 1 1 91 91 PRO CB C 13 32.854 0.2 . 1 . . . . 91 P CB . 16007 1 1177 . 1 1 91 91 PRO CD C 13 50.175 0.2 . 1 . . . . 91 P CD . 16007 1 1178 . 1 1 91 91 PRO CG C 13 26.911 0.2 . 1 . . . . 91 P CG . 16007 1 1179 . 1 1 92 92 ALA H H 1 8.014 0.01 . 1 . . . . 92 A H . 16007 1 1180 . 1 1 92 92 ALA HA H 1 3.931 0.01 . 1 . . . . 92 A HA . 16007 1 1181 . 1 1 92 92 ALA HB1 H 1 0.796 0.01 . 1 . . . . 92 A QB . 16007 1 1182 . 1 1 92 92 ALA HB2 H 1 0.796 0.01 . 1 . . . . 92 A QB . 16007 1 1183 . 1 1 92 92 ALA HB3 H 1 0.796 0.01 . 1 . . . . 92 A QB . 16007 1 1184 . 1 1 92 92 ALA CA C 13 55.270 0.2 . 1 . . . . 92 A CA . 16007 1 1185 . 1 1 92 92 ALA CB C 13 18.838 0.2 . 1 . . . . 92 A CB . 16007 1 1186 . 1 1 92 92 ALA N N 15 121.420 0.2 . 1 . . . . 92 A N . 16007 1 1187 . 1 1 93 93 SER H H 1 7.391 0.01 . 1 . . . . 93 S H . 16007 1 1188 . 1 1 93 93 SER HA H 1 4.223 0.01 . 1 . . . . 93 S HA . 16007 1 1189 . 1 1 93 93 SER HB2 H 1 4.077 0.01 . 2 . . . . 93 S HB2 . 16007 1 1190 . 1 1 93 93 SER HB3 H 1 4.032 0.01 . 2 . . . . 93 S HB3 . 16007 1 1191 . 1 1 93 93 SER C C 13 171.670 0.080 . 1 . . . . 93 SER C . 16007 1 1192 . 1 1 93 93 SER CA C 13 57.240 0.2 . 1 . . . . 93 S CA . 16007 1 1193 . 1 1 93 93 SER CB C 13 63.620 0.2 . 1 . . . . 93 S CB . 16007 1 1194 . 1 1 93 93 SER N N 15 105.210 0.2 . 1 . . . . 93 S N . 16007 1 1195 . 1 1 94 94 ALA H H 1 8.276 0.01 . 1 . . . . 94 A H . 16007 1 1196 . 1 1 94 94 ALA HA H 1 4.113 0.01 . 1 . . . . 94 A HA . 16007 1 1197 . 1 1 94 94 ALA HB1 H 1 1.185 0.01 . 1 . . . . 94 A QB . 16007 1 1198 . 1 1 94 94 ALA HB2 H 1 1.185 0.01 . 1 . . . . 94 A QB . 16007 1 1199 . 1 1 94 94 ALA HB3 H 1 1.185 0.01 . 1 . . . . 94 A QB . 16007 1 1200 . 1 1 94 94 ALA C C 13 177.150 0.080 . 1 . . . . 94 ALA C . 16007 1 1201 . 1 1 94 94 ALA CA C 13 53.810 0.2 . 1 . . . . 94 A CA . 16007 1 1202 . 1 1 94 94 ALA CB C 13 19.219 0.2 . 1 . . . . 94 A CB . 16007 1 1203 . 1 1 94 94 ALA N N 15 117.972 0.2 . 1 . . . . 94 A N . 16007 1 1204 . 1 1 95 95 VAL H H 1 7.886 0.01 . 1 . . . . 95 V H . 16007 1 1205 . 1 1 95 95 VAL HA H 1 5.037 0.01 . 1 . . . . 95 V HA . 16007 1 1206 . 1 1 95 95 VAL HB H 1 1.832 0.01 . 1 . . . . 95 V HB . 16007 1 1207 . 1 1 95 95 VAL HG11 H 1 1.091 0.01 . 2 . . . . 95 V QG1 . 16007 1 1208 . 1 1 95 95 VAL HG12 H 1 1.091 0.01 . 2 . . . . 95 V QG1 . 16007 1 1209 . 1 1 95 95 VAL HG13 H 1 1.091 0.01 . 2 . . . . 95 V QG1 . 16007 1 1210 . 1 1 95 95 VAL HG21 H 1 0.746 0.01 . 2 . . . . 95 V QG2 . 16007 1 1211 . 1 1 95 95 VAL HG22 H 1 0.746 0.01 . 2 . . . . 95 V QG2 . 16007 1 1212 . 1 1 95 95 VAL HG23 H 1 0.746 0.01 . 2 . . . . 95 V QG2 . 16007 1 1213 . 1 1 95 95 VAL C C 13 174.060 0.080 . 1 . . . . 95 VAL C . 16007 1 1214 . 1 1 95 95 VAL CA C 13 57.510 0.2 . 1 . . . . 95 V CA . 16007 1 1215 . 1 1 95 95 VAL CB C 13 35.106 0.2 . 1 . . . . 95 V CB . 16007 1 1216 . 1 1 95 95 VAL CG1 C 13 22.547 0.2 . 2 . . . . 95 V CG1 . 16007 1 1217 . 1 1 95 95 VAL CG2 C 13 19.414 0.2 . 2 . . . . 95 V CG2 . 16007 1 1218 . 1 1 95 95 VAL N N 15 108.410 0.2 . 1 . . . . 95 V N . 16007 1 1219 . 1 1 96 96 ASN H H 1 9.178 0.01 . 1 . . . . 96 N H . 16007 1 1220 . 1 1 96 96 ASN HA H 1 4.897 0.01 . 1 . . . . 96 N HA . 16007 1 1221 . 1 1 96 96 ASN HB2 H 1 3.167 0.01 . 2 . . . . 96 N HB2 . 16007 1 1222 . 1 1 96 96 ASN HB3 H 1 2.604 0.01 . 2 . . . . 96 N HB3 . 16007 1 1223 . 1 1 96 96 ASN HD21 H 1 6.658 0.01 . 2 . . . . 96 N HD21 . 16007 1 1224 . 1 1 96 96 ASN HD22 H 1 6.799 0.01 . 2 . . . . 96 N HD22 . 16007 1 1225 . 1 1 96 96 ASN C C 13 176.600 0.080 . 1 . . . . 96 ASN C . 16007 1 1226 . 1 1 96 96 ASN CA C 13 50.790 0.2 . 1 . . . . 96 N CA . 16007 1 1227 . 1 1 96 96 ASN CB C 13 39.637 0.2 . 1 . . . . 96 N CB . 16007 1 1228 . 1 1 96 96 ASN N N 15 121.250 0.2 . 1 . . . . 96 N N . 16007 1 1229 . 1 1 96 96 ASN ND2 N 15 106.888 0.2 . 1 . . . . 96 N ND2 . 16007 1 1230 . 1 1 97 97 VAL H H 1 8.503 0.01 . 1 . . . . 97 V H . 16007 1 1231 . 1 1 97 97 VAL HA H 1 4.421 0.01 . 1 . . . . 97 V HA . 16007 1 1232 . 1 1 97 97 VAL HB H 1 2.147 0.01 . 1 . . . . 97 V HB . 16007 1 1233 . 1 1 97 97 VAL HG11 H 1 1.030 0.01 . 2 . . . . 97 V QG1 . 16007 1 1234 . 1 1 97 97 VAL HG12 H 1 1.030 0.01 . 2 . . . . 97 V QG1 . 16007 1 1235 . 1 1 97 97 VAL HG13 H 1 1.030 0.01 . 2 . . . . 97 V QG1 . 16007 1 1236 . 1 1 97 97 VAL HG21 H 1 0.888 0.01 . 2 . . . . 97 V QG2 . 16007 1 1237 . 1 1 97 97 VAL HG22 H 1 0.888 0.01 . 2 . . . . 97 V QG2 . 16007 1 1238 . 1 1 97 97 VAL HG23 H 1 0.888 0.01 . 2 . . . . 97 V QG2 . 16007 1 1239 . 1 1 97 97 VAL C C 13 176.450 0.080 . 1 . . . . 97 VAL C . 16007 1 1240 . 1 1 97 97 VAL CA C 13 66.030 0.2 . 1 . . . . 97 V CA . 16007 1 1241 . 1 1 97 97 VAL CB C 13 30.552 0.2 . 1 . . . . 97 V CB . 16007 1 1242 . 1 1 97 97 VAL CG1 C 13 21.101 0.2 . 2 . . . . 97 V CG1 . 16007 1 1243 . 1 1 97 97 VAL CG2 C 13 24.349 0.2 . 2 . . . . 97 V CG2 . 16007 1 1244 . 1 1 97 97 VAL N N 15 129.670 0.2 . 1 . . . . 97 V N . 16007 1 1245 . 1 1 98 98 ILE H H 1 8.129 0.01 . 1 . . . . 98 I H . 16007 1 1246 . 1 1 98 98 ILE HA H 1 4.628 0.01 . 1 . . . . 98 I HA . 16007 1 1247 . 1 1 98 98 ILE HB H 1 2.156 0.01 . 1 . . . . 98 I HB . 16007 1 1248 . 1 1 98 98 ILE HD11 H 1 0.683 0.01 . 1 . . . . 98 I QD1 . 16007 1 1249 . 1 1 98 98 ILE HD12 H 1 0.683 0.01 . 1 . . . . 98 I QD1 . 16007 1 1250 . 1 1 98 98 ILE HD13 H 1 0.683 0.01 . 1 . . . . 98 I QD1 . 16007 1 1251 . 1 1 98 98 ILE HG12 H 1 0.982 0.01 . 1 . . . . 98 I QG1 . 16007 1 1252 . 1 1 98 98 ILE HG13 H 1 0.982 0.01 . 1 . . . . 98 I QG1 . 16007 1 1253 . 1 1 98 98 ILE HG21 H 1 0.475 0.01 . 1 . . . . 98 I QG2 . 16007 1 1254 . 1 1 98 98 ILE HG22 H 1 0.475 0.01 . 1 . . . . 98 I QG2 . 16007 1 1255 . 1 1 98 98 ILE HG23 H 1 0.475 0.01 . 1 . . . . 98 I QG2 . 16007 1 1256 . 1 1 98 98 ILE C C 13 174.270 0.080 . 1 . . . . 98 ILE C . 16007 1 1257 . 1 1 98 98 ILE CA C 13 61.240 0.2 . 1 . . . . 98 I CA . 16007 1 1258 . 1 1 98 98 ILE CB C 13 39.812 0.2 . 1 . . . . 98 I CB . 16007 1 1259 . 1 1 98 98 ILE CD1 C 13 14.751 0.2 . 1 . . . . 98 I CD1 . 16007 1 1260 . 1 1 98 98 ILE CG1 C 13 25.479 0.2 . 1 . . . . 98 I CG1 . 16007 1 1261 . 1 1 98 98 ILE CG2 C 13 17.085 0.2 . 1 . . . . 98 I CG2 . 16007 1 1262 . 1 1 98 98 ILE N N 15 119.500 0.2 . 1 . . . . 98 I N . 16007 1 1263 . 1 1 99 99 GLY H H 1 7.668 0.01 . 1 . . . . 99 G H . 16007 1 1264 . 1 1 99 99 GLY HA2 H 1 4.435 0.01 . 2 . . . . 99 G HA2 . 16007 1 1265 . 1 1 99 99 GLY HA3 H 1 4.637 0.01 . 2 . . . . 99 G HA3 . 16007 1 1266 . 1 1 99 99 GLY C C 13 172.410 0.080 . 1 . . . . 99 GLY C . 16007 1 1267 . 1 1 99 99 GLY CA C 13 46.906 0.2 . 1 . . . . 99 G CA . 16007 1 1268 . 1 1 99 99 GLY N N 15 107.230 0.2 . 1 . . . . 99 G N . 16007 1 1269 . 1 1 100 100 LYS H H 1 8.347 0.01 . 1 . . . . 100 K H . 16007 1 1270 . 1 1 100 100 LYS HA H 1 5.540 0.01 . 1 . . . . 100 K HA . 16007 1 1271 . 1 1 100 100 LYS HB2 H 1 1.703 0.01 . 2 . . . . 100 K HB2 . 16007 1 1272 . 1 1 100 100 LYS HB3 H 1 1.795 0.01 . 2 . . . . 100 K HB3 . 16007 1 1273 . 1 1 100 100 LYS HD2 H 1 1.462 0.01 . 2 . . . . 100 K QD . 16007 1 1274 . 1 1 100 100 LYS HD3 H 1 1.462 0.01 . 2 . . . . 100 K QD . 16007 1 1275 . 1 1 100 100 LYS HE2 H 1 2.771 0.01 . 2 . . . . 100 K QE . 16007 1 1276 . 1 1 100 100 LYS HE3 H 1 2.771 0.01 . 2 . . . . 100 K QE . 16007 1 1277 . 1 1 100 100 LYS HG2 H 1 0.716 0.01 . 2 . . . . 100 K QG . 16007 1 1278 . 1 1 100 100 LYS HG3 H 1 0.716 0.01 . 2 . . . . 100 K QG . 16007 1 1279 . 1 1 100 100 LYS C C 13 175.740 0.080 . 1 . . . . 100 LYS C . 16007 1 1280 . 1 1 100 100 LYS CA C 13 54.150 0.2 . 1 . . . . 100 K CA . 16007 1 1281 . 1 1 100 100 LYS CB C 13 37.900 0.2 . 1 . . . . 100 K CB . 16007 1 1282 . 1 1 100 100 LYS CD C 13 29.644 0.2 . 1 . . . . 100 K CD . 16007 1 1283 . 1 1 100 100 LYS CE C 13 42.327 0.2 . 1 . . . . 100 K CE . 16007 1 1284 . 1 1 100 100 LYS CG C 13 24.863 0.2 . 1 . . . . 100 K CG . 16007 1 1285 . 1 1 100 100 LYS N N 15 119.730 0.2 . 1 . . . . 100 K N . 16007 1 1286 . 1 1 101 101 ILE H H 1 9.542 0.01 . 1 . . . . 101 I H . 16007 1 1287 . 1 1 101 101 ILE HA H 1 4.184 0.01 . 1 . . . . 101 I HA . 16007 1 1288 . 1 1 101 101 ILE HB H 1 1.790 0.01 . 1 . . . . 101 I HB . 16007 1 1289 . 1 1 101 101 ILE HD11 H 1 0.850 0.01 . 1 . . . . 101 I QD1 . 16007 1 1290 . 1 1 101 101 ILE HD12 H 1 0.850 0.01 . 1 . . . . 101 I QD1 . 16007 1 1291 . 1 1 101 101 ILE HD13 H 1 0.850 0.01 . 1 . . . . 101 I QD1 . 16007 1 1292 . 1 1 101 101 ILE HG12 H 1 0.840 0.01 . 2 . . . . 101 I HG12 . 16007 1 1293 . 1 1 101 101 ILE HG13 H 1 1.750 0.01 . 2 . . . . 101 I HG13 . 16007 1 1294 . 1 1 101 101 ILE HG21 H 1 0.813 0.01 . 1 . . . . 101 I QG2 . 16007 1 1295 . 1 1 101 101 ILE HG22 H 1 0.813 0.01 . 1 . . . . 101 I QG2 . 16007 1 1296 . 1 1 101 101 ILE HG23 H 1 0.813 0.01 . 1 . . . . 101 I QG2 . 16007 1 1297 . 1 1 101 101 ILE C C 13 176.010 0.080 . 1 . . . . 101 ILE C . 16007 1 1298 . 1 1 101 101 ILE CA C 13 62.940 0.2 . 1 . . . . 101 I CA . 16007 1 1299 . 1 1 101 101 ILE CB C 13 39.212 0.2 . 1 . . . . 101 I CB . 16007 1 1300 . 1 1 101 101 ILE CD1 C 13 15.247 0.2 . 1 . . . . 101 I CD1 . 16007 1 1301 . 1 1 101 101 ILE CG1 C 13 28.361 0.2 . 1 . . . . 101 I CG1 . 16007 1 1302 . 1 1 101 101 ILE CG2 C 13 18.400 0.2 . 1 . . . . 101 I CG2 . 16007 1 1303 . 1 1 101 101 ILE N N 15 124.050 0.2 . 1 . . . . 101 I N . 16007 1 1304 . 1 1 102 102 VAL H H 1 8.728 0.01 . 1 . . . . 102 V H . 16007 1 1305 . 1 1 102 102 VAL HA H 1 4.591 0.01 . 1 . . . . 102 V HA . 16007 1 1306 . 1 1 102 102 VAL HB H 1 2.285 0.01 . 1 . . . . 102 V HB . 16007 1 1307 . 1 1 102 102 VAL HG11 H 1 0.935 0.01 . 2 . . . . 102 V QG1 . 16007 1 1308 . 1 1 102 102 VAL HG12 H 1 0.935 0.01 . 2 . . . . 102 V QG1 . 16007 1 1309 . 1 1 102 102 VAL HG13 H 1 0.935 0.01 . 2 . . . . 102 V QG1 . 16007 1 1310 . 1 1 102 102 VAL HG21 H 1 0.724 0.01 . 2 . . . . 102 V QG2 . 16007 1 1311 . 1 1 102 102 VAL HG22 H 1 0.724 0.01 . 2 . . . . 102 V QG2 . 16007 1 1312 . 1 1 102 102 VAL HG23 H 1 0.724 0.01 . 2 . . . . 102 V QG2 . 16007 1 1313 . 1 1 102 102 VAL C C 13 175.730 0.080 . 1 . . . . 102 VAL C . 16007 1 1314 . 1 1 102 102 VAL CA C 13 62.030 0.2 . 1 . . . . 102 V CA . 16007 1 1315 . 1 1 102 102 VAL CB C 13 33.307 0.2 . 1 . . . . 102 V CB . 16007 1 1316 . 1 1 102 102 VAL CG1 C 13 22.689 0.2 . 2 . . . . 102 V CG1 . 16007 1 1317 . 1 1 102 102 VAL CG2 C 13 19.316 0.2 . 2 . . . . 102 V CG2 . 16007 1 1318 . 1 1 102 102 VAL N N 15 121.420 0.2 . 1 . . . . 102 V N . 16007 1 1319 . 1 1 103 103 GLU H H 1 7.912 0.01 . 1 . . . . 103 E H . 16007 1 1320 . 1 1 103 103 GLU HA H 1 4.661 0.01 . 1 . . . . 103 E HA . 16007 1 1321 . 1 1 103 103 GLU HB2 H 1 1.790 0.01 . 2 . . . . 103 E HB2 . 16007 1 1322 . 1 1 103 103 GLU HB3 H 1 1.992 0.01 . 2 . . . . 103 E HB3 . 16007 1 1323 . 1 1 103 103 GLU HG2 H 1 2.274 0.01 . 2 . . . . 103 E HG2 . 16007 1 1324 . 1 1 103 103 GLU HG3 H 1 2.146 0.01 . 2 . . . . 103 E HG3 . 16007 1 1325 . 1 1 103 103 GLU C C 13 176.520 0.080 . 1 . . . . 103 GLU C . 16007 1 1326 . 1 1 103 103 GLU CA C 13 56.550 0.2 . 1 . . . . 103 E CA . 16007 1 1327 . 1 1 103 103 GLU CB C 13 34.180 0.2 . 1 . . . . 103 E CB . 16007 1 1328 . 1 1 103 103 GLU CG C 13 36.702 0.2 . 1 . . . . 103 E CG . 16007 1 1329 . 1 1 103 103 GLU N N 15 120.750 0.2 . 1 . . . . 103 E N . 16007 1 1330 . 1 1 104 104 GLY H H 1 8.934 0.01 . 1 . . . . 104 G H . 16007 1 1331 . 1 1 104 104 GLY HA2 H 1 3.932 0.01 . 2 . . . . 104 G HA2 . 16007 1 1332 . 1 1 104 104 GLY HA3 H 1 4.345 0.01 . 2 . . . . 104 G HA3 . 16007 1 1333 . 1 1 104 104 GLY C C 13 175.230 0.080 . 1 . . . . 104 GLY C . 16007 1 1334 . 1 1 104 104 GLY CA C 13 46.616 0.2 . 1 . . . . 104 G CA . 16007 1 1335 . 1 1 104 104 GLY N N 15 111.140 0.2 . 1 . . . . 104 G N . 16007 1 1336 . 1 1 105 105 LEU H H 1 8.158 0.01 . 1 . . . . 105 L H . 16007 1 1337 . 1 1 105 105 LEU HA H 1 3.702 0.01 . 1 . . . . 105 L HA . 16007 1 1338 . 1 1 105 105 LEU HB2 H 1 1.701 0.01 . 2 . . . . 105 L HB2 . 16007 1 1339 . 1 1 105 105 LEU HB3 H 1 1.573 0.01 . 2 . . . . 105 L HB3 . 16007 1 1340 . 1 1 105 105 LEU HD11 H 1 0.903 0.01 . 2 . . . . 105 L QD1 . 16007 1 1341 . 1 1 105 105 LEU HD12 H 1 0.903 0.01 . 2 . . . . 105 L QD1 . 16007 1 1342 . 1 1 105 105 LEU HD13 H 1 0.903 0.01 . 2 . . . . 105 L QD1 . 16007 1 1343 . 1 1 105 105 LEU HD21 H 1 0.986 0.01 . 2 . . . . 105 L QD2 . 16007 1 1344 . 1 1 105 105 LEU HD22 H 1 0.986 0.01 . 2 . . . . 105 L QD2 . 16007 1 1345 . 1 1 105 105 LEU HD23 H 1 0.986 0.01 . 2 . . . . 105 L QD2 . 16007 1 1346 . 1 1 105 105 LEU HG H 1 1.629 0.01 . 1 . . . . 105 L HG . 16007 1 1347 . 1 1 105 105 LEU C C 13 179.250 0.080 . 1 . . . . 105 LEU C . 16007 1 1348 . 1 1 105 105 LEU CA C 13 59.400 0.2 . 1 . . . . 105 L CA . 16007 1 1349 . 1 1 105 105 LEU CB C 13 42.743 0.2 . 1 . . . . 105 L CB . 16007 1 1350 . 1 1 105 105 LEU CD1 C 13 25.747 0.2 . 2 . . . . 105 L CD1 . 16007 1 1351 . 1 1 105 105 LEU CD2 C 13 25.459 0.2 . 2 . . . . 105 L CD2 . 16007 1 1352 . 1 1 105 105 LEU CG C 13 27.139 0.2 . 1 . . . . 105 L CG . 16007 1 1353 . 1 1 105 105 LEU N N 15 121.390 0.2 . 1 . . . . 105 L N . 16007 1 1354 . 1 1 106 106 GLU H H 1 8.944 0.01 . 1 . . . . 106 E H . 16007 1 1355 . 1 1 106 106 GLU HA H 1 3.978 0.01 . 1 . . . . 106 E HA . 16007 1 1356 . 1 1 106 106 GLU HB2 H 1 1.990 0.01 . 2 . . . . 106 E HB2 . 16007 1 1357 . 1 1 106 106 GLU HB3 H 1 1.932 0.01 . 2 . . . . 106 E HB3 . 16007 1 1358 . 1 1 106 106 GLU HG2 H 1 2.287 0.01 . 2 . . . . 106 E QG . 16007 1 1359 . 1 1 106 106 GLU HG3 H 1 2.287 0.01 . 2 . . . . 106 E QG . 16007 1 1360 . 1 1 106 106 GLU C C 13 178.120 0.080 . 1 . . . . 106 GLU C . 16007 1 1361 . 1 1 106 106 GLU CA C 13 58.720 0.2 . 1 . . . . 106 E CA . 16007 1 1362 . 1 1 106 106 GLU CB C 13 28.920 0.2 . 1 . . . . 106 E CB . 16007 1 1363 . 1 1 106 106 GLU CG C 13 36.285 0.2 . 1 . . . . 106 E CG . 16007 1 1364 . 1 1 106 106 GLU N N 15 113.860 0.2 . 1 . . . . 106 E N . 16007 1 1365 . 1 1 107 107 ASP H H 1 7.538 0.01 . 1 . . . . 107 D H . 16007 1 1366 . 1 1 107 107 ASP HA H 1 4.344 0.01 . 1 . . . . 107 D HA . 16007 1 1367 . 1 1 107 107 ASP HB2 H 1 2.871 0.01 . 2 . . . . 107 D HB2 . 16007 1 1368 . 1 1 107 107 ASP HB3 H 1 2.418 0.01 . 2 . . . . 107 D HB3 . 16007 1 1369 . 1 1 107 107 ASP C C 13 178.190 0.080 . 1 . . . . 107 ASP C . 16007 1 1370 . 1 1 107 107 ASP CA C 13 55.780 0.2 . 1 . . . . 107 D CA . 16007 1 1371 . 1 1 107 107 ASP CB C 13 41.191 0.2 . 1 . . . . 107 D CB . 16007 1 1372 . 1 1 107 107 ASP N N 15 119.620 0.2 . 1 . . . . 107 D N . 16007 1 1373 . 1 1 108 108 LEU H H 1 7.115 0.01 . 1 . . . . 108 L H . 16007 1 1374 . 1 1 108 108 LEU HA H 1 3.357 0.01 . 1 . . . . 108 L HA . 16007 1 1375 . 1 1 108 108 LEU HB2 H 1 0.739 0.01 . 2 . . . . 108 L HB2 . 16007 1 1376 . 1 1 108 108 LEU HB3 H 1 -0.024 0.01 . 2 . . . . 108 L HB3 . 16007 1 1377 . 1 1 108 108 LEU HD11 H 1 0.770 0.01 . 2 . . . . 108 L QD1 . 16007 1 1378 . 1 1 108 108 LEU HD12 H 1 0.770 0.01 . 2 . . . . 108 L QD1 . 16007 1 1379 . 1 1 108 108 LEU HD13 H 1 0.770 0.01 . 2 . . . . 108 L QD1 . 16007 1 1380 . 1 1 108 108 LEU HD21 H 1 0.420 0.01 . 2 . . . . 108 L QD2 . 16007 1 1381 . 1 1 108 108 LEU HD22 H 1 0.420 0.01 . 2 . . . . 108 L QD2 . 16007 1 1382 . 1 1 108 108 LEU HD23 H 1 0.420 0.01 . 2 . . . . 108 L QD2 . 16007 1 1383 . 1 1 108 108 LEU HG H 1 1.714 0.01 . 1 . . . . 108 L HG . 16007 1 1384 . 1 1 108 108 LEU C C 13 177.920 0.080 . 1 . . . . 108 LEU C . 16007 1 1385 . 1 1 108 108 LEU CA C 13 57.000 0.2 . 1 . . . . 108 L CA . 16007 1 1386 . 1 1 108 108 LEU CB C 13 38.445 0.2 . 1 . . . . 108 L CB . 16007 1 1387 . 1 1 108 108 LEU CD1 C 13 27.686 0.2 . 2 . . . . 108 L CD1 . 16007 1 1388 . 1 1 108 108 LEU CD2 C 13 22.337 0.2 . 2 . . . . 108 L CD2 . 16007 1 1389 . 1 1 108 108 LEU CG C 13 26.343 0.2 . 1 . . . . 108 L CG . 16007 1 1390 . 1 1 108 108 LEU N N 15 117.551 0.2 . 1 . . . . 108 L N . 16007 1 1391 . 1 1 109 109 LYS H H 1 7.179 0.01 . 1 . . . . 109 K H . 16007 1 1392 . 1 1 109 109 LYS HA H 1 3.879 0.01 . 1 . . . . 109 K HA . 16007 1 1393 . 1 1 109 109 LYS HB2 H 1 1.722 0.01 . 2 . . . . 109 K HB2 . 16007 1 1394 . 1 1 109 109 LYS HB3 H 1 1.838 0.01 . 2 . . . . 109 K HB3 . 16007 1 1395 . 1 1 109 109 LYS HD2 H 1 1.678 0.01 . 2 . . . . 109 K HD2 . 16007 1 1396 . 1 1 109 109 LYS HD3 H 1 1.722 0.01 . 2 . . . . 109 K HD3 . 16007 1 1397 . 1 1 109 109 LYS HE2 H 1 2.881 0.01 . 2 . . . . 109 K HE2 . 16007 1 1398 . 1 1 109 109 LYS HE3 H 1 3.003 0.01 . 2 . . . . 109 K HE3 . 16007 1 1399 . 1 1 109 109 LYS HG2 H 1 1.467 0.01 . 2 . . . . 109 K HG2 . 16007 1 1400 . 1 1 109 109 LYS HG3 H 1 1.332 0.01 . 2 . . . . 109 K HG3 . 16007 1 1401 . 1 1 109 109 LYS C C 13 176.650 0.080 . 1 . . . . 109 LYS C . 16007 1 1402 . 1 1 109 109 LYS CA C 13 57.792 0.2 . 1 . . . . 109 K CA . 16007 1 1403 . 1 1 109 109 LYS CB C 13 32.184 0.2 . 1 . . . . 109 K CB . 16007 1 1404 . 1 1 109 109 LYS CD C 13 29.511 0.2 . 1 . . . . 109 K CD . 16007 1 1405 . 1 1 109 109 LYS CE C 13 42.172 0.2 . 1 . . . . 109 K CE . 16007 1 1406 . 1 1 109 109 LYS CG C 13 25.206 0.2 . 1 . . . . 109 K CG . 16007 1 1407 . 1 1 109 109 LYS N N 15 115.080 0.2 . 1 . . . . 109 K N . 16007 1 1408 . 1 1 110 110 LYS H H 1 7.364 0.01 . 1 . . . . 110 K H . 16007 1 1409 . 1 1 110 110 LYS HA H 1 4.016 0.01 . 1 . . . . 110 K HA . 16007 1 1410 . 1 1 110 110 LYS HB2 H 1 1.657 0.01 . 2 . . . . 110 K HB2 . 16007 1 1411 . 1 1 110 110 LYS HB3 H 1 1.515 0.01 . 2 . . . . 110 K HB3 . 16007 1 1412 . 1 1 110 110 LYS HD2 H 1 1.553 0.01 . 2 . . . . 110 K HD2 . 16007 1 1413 . 1 1 110 110 LYS HD3 H 1 1.673 0.01 . 2 . . . . 110 K HD3 . 16007 1 1414 . 1 1 110 110 LYS HE2 H 1 2.864 0.01 . 2 . . . . 110 K QE . 16007 1 1415 . 1 1 110 110 LYS HE3 H 1 2.864 0.01 . 2 . . . . 110 K QE . 16007 1 1416 . 1 1 110 110 LYS HG2 H 1 1.271 0.01 . 2 . . . . 110 K HG2 . 16007 1 1417 . 1 1 110 110 LYS HG3 H 1 1.095 0.01 . 2 . . . . 110 K HG3 . 16007 1 1418 . 1 1 110 110 LYS C C 13 175.890 0.080 . 1 . . . . 110 LYS C . 16007 1 1419 . 1 1 110 110 LYS CA C 13 56.550 0.2 . 1 . . . . 110 K CA . 16007 1 1420 . 1 1 110 110 LYS CB C 13 32.972 0.2 . 1 . . . . 110 K CB . 16007 1 1421 . 1 1 110 110 LYS CD C 13 29.828 0.2 . 1 . . . . 110 K CD . 16007 1 1422 . 1 1 110 110 LYS CE C 13 42.109 0.2 . 1 . . . . 110 K CE . 16007 1 1423 . 1 1 110 110 LYS CG C 13 24.763 0.2 . 1 . . . . 110 K CG . 16007 1 1424 . 1 1 110 110 LYS N N 15 116.720 0.2 . 1 . . . . 110 K N . 16007 1 1425 . 1 1 111 111 ILE H H 1 6.626 0.01 . 1 . . . . 111 I H . 16007 1 1426 . 1 1 111 111 ILE HA H 1 3.531 0.01 . 1 . . . . 111 I HA . 16007 1 1427 . 1 1 111 111 ILE HB H 1 1.492 0.01 . 1 . . . . 111 I HB . 16007 1 1428 . 1 1 111 111 ILE HD11 H 1 -0.024 0.01 . 1 . . . . 111 I QD1 . 16007 1 1429 . 1 1 111 111 ILE HD12 H 1 -0.024 0.01 . 1 . . . . 111 I QD1 . 16007 1 1430 . 1 1 111 111 ILE HD13 H 1 -0.024 0.01 . 1 . . . . 111 I QD1 . 16007 1 1431 . 1 1 111 111 ILE HG12 H 1 -0.075 0.01 . 2 . . . . 111 I HG12 . 16007 1 1432 . 1 1 111 111 ILE HG13 H 1 1.085 0.01 . 2 . . . . 111 I HG13 . 16007 1 1433 . 1 1 111 111 ILE HG21 H 1 0.321 0.01 . 1 . . . . 111 I QG2 . 16007 1 1434 . 1 1 111 111 ILE HG22 H 1 0.321 0.01 . 1 . . . . 111 I QG2 . 16007 1 1435 . 1 1 111 111 ILE HG23 H 1 0.321 0.01 . 1 . . . . 111 I QG2 . 16007 1 1436 . 1 1 111 111 ILE C C 13 176.180 0.080 . 1 . . . . 111 ILE C . 16007 1 1437 . 1 1 111 111 ILE CA C 13 59.950 0.2 . 1 . . . . 111 I CA . 16007 1 1438 . 1 1 111 111 ILE CB C 13 34.946 0.2 . 1 . . . . 111 I CB . 16007 1 1439 . 1 1 111 111 ILE CD1 C 13 10.974 0.2 . 1 . . . . 111 I CD1 . 16007 1 1440 . 1 1 111 111 ILE CG1 C 13 27.195 0.2 . 1 . . . . 111 I CG1 . 16007 1 1441 . 1 1 111 111 ILE CG2 C 13 18.843 0.2 . 1 . . . . 111 I CG2 . 16007 1 1442 . 1 1 111 111 ILE N N 15 117.000 0.2 . 1 . . . . 111 I N . 16007 1 1443 . 1 1 112 112 LYS H H 1 8.388 0.01 . 1 . . . . 112 K H . 16007 1 1444 . 1 1 112 112 LYS HA H 1 4.356 0.01 . 1 . . . . 112 K HA . 16007 1 1445 . 1 1 112 112 LYS HB2 H 1 1.792 0.01 . 2 . . . . 112 K HB2 . 16007 1 1446 . 1 1 112 112 LYS HB3 H 1 1.725 0.01 . 2 . . . . 112 K HB3 . 16007 1 1447 . 1 1 112 112 LYS HD2 H 1 1.592 0.01 . 2 . . . . 112 K HD2 . 16007 1 1448 . 1 1 112 112 LYS HD3 H 1 1.604 0.01 . 2 . . . . 112 K HD3 . 16007 1 1449 . 1 1 112 112 LYS HE2 H 1 2.916 0.01 . 2 . . . . 112 K HE2 . 16007 1 1450 . 1 1 112 112 LYS HE3 H 1 2.766 0.01 . 2 . . . . 112 K HE3 . 16007 1 1451 . 1 1 112 112 LYS HG2 H 1 1.425 0.01 . 2 . . . . 112 K HG2 . 16007 1 1452 . 1 1 112 112 LYS HG3 H 1 1.476 0.01 . 2 . . . . 112 K HG3 . 16007 1 1453 . 1 1 112 112 LYS C C 13 175.750 0.080 . 1 . . . . 112 LYS C . 16007 1 1454 . 1 1 112 112 LYS CA C 13 54.430 0.2 . 1 . . . . 112 K CA . 16007 1 1455 . 1 1 112 112 LYS CB C 13 33.936 0.2 . 1 . . . . 112 K CB . 16007 1 1456 . 1 1 112 112 LYS CD C 13 28.510 0.2 . 1 . . . . 112 K CD . 16007 1 1457 . 1 1 112 112 LYS CE C 13 42.405 0.2 . 1 . . . . 112 K CE . 16007 1 1458 . 1 1 112 112 LYS CG C 13 24.769 0.2 . 1 . . . . 112 K CG . 16007 1 1459 . 1 1 112 112 LYS N N 15 128.240 0.2 . 1 . . . . 112 K N . 16007 1 1460 . 1 1 113 113 ASP H H 1 8.103 0.01 . 1 . . . . 113 D H . 16007 1 1461 . 1 1 113 113 ASP HA H 1 4.026 0.01 . 1 . . . . 113 D HA . 16007 1 1462 . 1 1 113 113 ASP HB2 H 1 2.765 0.01 . 2 . . . . 113 D HB2 . 16007 1 1463 . 1 1 113 113 ASP HB3 H 1 2.478 0.01 . 2 . . . . 113 D HB3 . 16007 1 1464 . 1 1 113 113 ASP C C 13 177.630 0.080 . 1 . . . . 113 ASP C . 16007 1 1465 . 1 1 113 113 ASP CA C 13 56.660 0.2 . 1 . . . . 113 D CA . 16007 1 1466 . 1 1 113 113 ASP CB C 13 42.033 0.2 . 1 . . . . 113 D CB . 16007 1 1467 . 1 1 113 113 ASP N N 15 119.040 0.2 . 1 . . . . 113 D N . 16007 1 1468 . 1 1 114 114 GLY H H 1 8.635 0.01 . 1 . . . . 114 G H . 16007 1 1469 . 1 1 114 114 GLY HA2 H 1 3.547 0.01 . 2 . . . . 114 G HA2 . 16007 1 1470 . 1 1 114 114 GLY HA3 H 1 4.229 0.01 . 2 . . . . 114 G HA3 . 16007 1 1471 . 1 1 114 114 GLY C C 13 174.640 0.080 . 1 . . . . 114 GLY C . 16007 1 1472 . 1 1 114 114 GLY CA C 13 45.403 0.2 . 1 . . . . 114 G CA . 16007 1 1473 . 1 1 114 114 GLY N N 15 113.170 0.2 . 1 . . . . 114 G N . 16007 1 1474 . 1 1 115 115 GLU H H 1 7.346 0.01 . 1 . . . . 115 E H . 16007 1 1475 . 1 1 115 115 GLU HA H 1 4.113 0.01 . 1 . . . . 115 E HA . 16007 1 1476 . 1 1 115 115 GLU HB2 H 1 1.771 0.01 . 2 . . . . 115 E HB2 . 16007 1 1477 . 1 1 115 115 GLU HB3 H 1 2.250 0.01 . 2 . . . . 115 E HB3 . 16007 1 1478 . 1 1 115 115 GLU HG2 H 1 2.832 0.01 . 2 . . . . 115 E HG2 . 16007 1 1479 . 1 1 115 115 GLU HG3 H 1 2.144 0.01 . 2 . . . . 115 E HG3 . 16007 1 1480 . 1 1 115 115 GLU C C 13 175.840 0.080 . 1 . . . . 115 GLU C . 16007 1 1481 . 1 1 115 115 GLU CA C 13 58.180 0.2 . 1 . . . . 115 E CA . 16007 1 1482 . 1 1 115 115 GLU CB C 13 30.902 0.2 . 1 . . . . 115 E CB . 16007 1 1483 . 1 1 115 115 GLU CG C 13 38.307 0.2 . 1 . . . . 115 E CG . 16007 1 1484 . 1 1 115 115 GLU N N 15 119.440 0.2 . 1 . . . . 115 E N . 16007 1 1485 . 1 1 116 116 LYS H H 1 9.107 0.01 . 1 . . . . 116 K H . 16007 1 1486 . 1 1 116 116 LYS HA H 1 4.529 0.01 . 1 . . . . 116 K HA . 16007 1 1487 . 1 1 116 116 LYS HB2 H 1 1.694 0.01 . 2 . . . . 116 K HB2 . 16007 1 1488 . 1 1 116 116 LYS HB3 H 1 1.563 0.01 . 2 . . . . 116 K HB3 . 16007 1 1489 . 1 1 116 116 LYS HD2 H 1 1.601 0.01 . 2 . . . . 116 K QD . 16007 1 1490 . 1 1 116 116 LYS HD3 H 1 1.601 0.01 . 2 . . . . 116 K QD . 16007 1 1491 . 1 1 116 116 LYS HE2 H 1 2.761 0.01 . 2 . . . . 116 K HE2 . 16007 1 1492 . 1 1 116 116 LYS HE3 H 1 2.866 0.01 . 2 . . . . 116 K HE3 . 16007 1 1493 . 1 1 116 116 LYS HG2 H 1 1.350 0.01 . 2 . . . . 116 K HG2 . 16007 1 1494 . 1 1 116 116 LYS HG3 H 1 1.562 0.01 . 2 . . . . 116 K HG3 . 16007 1 1495 . 1 1 116 116 LYS C C 13 176.050 0.080 . 1 . . . . 116 LYS C . 16007 1 1496 . 1 1 116 116 LYS CA C 13 56.820 0.2 . 1 . . . . 116 K CA . 16007 1 1497 . 1 1 116 116 LYS CB C 13 33.358 0.2 . 1 . . . . 116 K CB . 16007 1 1498 . 1 1 116 116 LYS CD C 13 29.258 0.2 . 1 . . . . 116 K CD . 16007 1 1499 . 1 1 116 116 LYS CE C 13 42.306 0.2 . 1 . . . . 116 K CE . 16007 1 1500 . 1 1 116 116 LYS CG C 13 25.359 0.2 . 1 . . . . 116 K CG . 16007 1 1501 . 1 1 116 116 LYS N N 15 121.800 0.2 . 1 . . . . 116 K N . 16007 1 1502 . 1 1 117 117 VAL H H 1 7.860 0.01 . 1 . . . . 117 V H . 16007 1 1503 . 1 1 117 117 VAL HA H 1 4.668 0.01 . 1 . . . . 117 V HA . 16007 1 1504 . 1 1 117 117 VAL HB H 1 1.239 0.01 . 1 . . . . 117 V HB . 16007 1 1505 . 1 1 117 117 VAL HG11 H 1 -0.429 0.01 . 2 . . . . 117 V QG1 . 16007 1 1506 . 1 1 117 117 VAL HG12 H 1 -0.429 0.01 . 2 . . . . 117 V QG1 . 16007 1 1507 . 1 1 117 117 VAL HG13 H 1 -0.429 0.01 . 2 . . . . 117 V QG1 . 16007 1 1508 . 1 1 117 117 VAL HG21 H 1 -0.512 0.01 . 2 . . . . 117 V QG2 . 16007 1 1509 . 1 1 117 117 VAL HG22 H 1 -0.512 0.01 . 2 . . . . 117 V QG2 . 16007 1 1510 . 1 1 117 117 VAL HG23 H 1 -0.512 0.01 . 2 . . . . 117 V QG2 . 16007 1 1511 . 1 1 117 117 VAL C C 13 171.630 0.080 . 1 . . . . 117 VAL C . 16007 1 1512 . 1 1 117 117 VAL CA C 13 57.440 0.2 . 1 . . . . 117 V CA . 16007 1 1513 . 1 1 117 117 VAL CB C 13 34.614 0.2 . 1 . . . . 117 V CB . 16007 1 1514 . 1 1 117 117 VAL CG1 C 13 17.227 0.2 . 2 . . . . 117 V CG1 . 16007 1 1515 . 1 1 117 117 VAL CG2 C 13 22.058 0.2 . 2 . . . . 117 V CG2 . 16007 1 1516 . 1 1 117 117 VAL N N 15 118.940 0.2 . 1 . . . . 117 V N . 16007 1 1517 . 1 1 118 118 ALA H H 1 8.310 0.01 . 1 . . . . 118 A H . 16007 1 1518 . 1 1 118 118 ALA HA H 1 4.506 0.01 . 1 . . . . 118 A HA . 16007 1 1519 . 1 1 118 118 ALA HB1 H 1 1.200 0.01 . 1 . . . . 118 A QB . 16007 1 1520 . 1 1 118 118 ALA HB2 H 1 1.200 0.01 . 1 . . . . 118 A QB . 16007 1 1521 . 1 1 118 118 ALA HB3 H 1 1.200 0.01 . 1 . . . . 118 A QB . 16007 1 1522 . 1 1 118 118 ALA C C 13 174.660 0.080 . 1 . . . . 118 ALA C . 16007 1 1523 . 1 1 118 118 ALA CA C 13 50.370 0.2 . 1 . . . . 118 A CA . 16007 1 1524 . 1 1 118 118 ALA CB C 13 20.250 0.2 . 1 . . . . 118 A CB . 16007 1 1525 . 1 1 118 118 ALA N N 15 130.190 0.2 . 1 . . . . 118 A N . 16007 1 1526 . 1 1 119 119 VAL H H 1 8.295 0.01 . 1 . . . . 119 V H . 16007 1 1527 . 1 1 119 119 VAL HA H 1 4.096 0.01 . 1 . . . . 119 V HA . 16007 1 1528 . 1 1 119 119 VAL HB H 1 0.718 0.01 . 1 . . . . 119 V HB . 16007 1 1529 . 1 1 119 119 VAL HG11 H 1 0.038 0.01 . 2 . . . . 119 V QG1 . 16007 1 1530 . 1 1 119 119 VAL HG12 H 1 0.038 0.01 . 2 . . . . 119 V QG1 . 16007 1 1531 . 1 1 119 119 VAL HG13 H 1 0.038 0.01 . 2 . . . . 119 V QG1 . 16007 1 1532 . 1 1 119 119 VAL HG21 H 1 0.263 0.01 . 2 . . . . 119 V QG2 . 16007 1 1533 . 1 1 119 119 VAL HG22 H 1 0.263 0.01 . 2 . . . . 119 V QG2 . 16007 1 1534 . 1 1 119 119 VAL HG23 H 1 0.263 0.01 . 2 . . . . 119 V QG2 . 16007 1 1535 . 1 1 119 119 VAL C C 13 175.320 0.080 . 1 . . . . 119 VAL C . 16007 1 1536 . 1 1 119 119 VAL CA C 13 61.570 0.2 . 1 . . . . 119 V CA . 16007 1 1537 . 1 1 119 119 VAL CB C 13 31.445 0.2 . 1 . . . . 119 V CB . 16007 1 1538 . 1 1 119 119 VAL CG1 C 13 21.279 0.2 . 2 . . . . 119 V CG1 . 16007 1 1539 . 1 1 119 119 VAL CG2 C 13 21.896 0.2 . 2 . . . . 119 V CG2 . 16007 1 1540 . 1 1 119 119 VAL N N 15 123.160 0.2 . 1 . . . . 119 V N . 16007 1 1541 . 1 1 120 120 ARG H H 1 8.596 0.01 . 1 . . . . 120 R H . 16007 1 1542 . 1 1 120 120 ARG HA H 1 4.534 0.01 . 1 . . . . 120 R HA . 16007 1 1543 . 1 1 120 120 ARG HB2 H 1 1.667 0.01 . 2 . . . . 120 R HB2 . 16007 1 1544 . 1 1 120 120 ARG HB3 H 1 1.729 0.01 . 2 . . . . 120 R HB3 . 16007 1 1545 . 1 1 120 120 ARG HD2 H 1 2.965 0.01 . 2 . . . . 120 R QD . 16007 1 1546 . 1 1 120 120 ARG HD3 H 1 2.965 0.01 . 2 . . . . 120 R QD . 16007 1 1547 . 1 1 120 120 ARG HE H 1 7.270 0.01 . 1 . . . . 120 R HE . 16007 1 1548 . 1 1 120 120 ARG HG2 H 1 1.323 0.01 . 2 . . . . 120 R HG2 . 16007 1 1549 . 1 1 120 120 ARG HG3 H 1 1.386 0.01 . 2 . . . . 120 R HG3 . 16007 1 1550 . 1 1 120 120 ARG C C 13 175.260 0.080 . 1 . . . . 120 ARG C . 16007 1 1551 . 1 1 120 120 ARG CA C 13 53.740 0.2 . 1 . . . . 120 R CA . 16007 1 1552 . 1 1 120 120 ARG CB C 13 34.359 0.2 . 1 . . . . 120 R CB . 16007 1 1553 . 1 1 120 120 ARG CD C 13 43.903 0.2 . 1 . . . . 120 R CD . 16007 1 1554 . 1 1 120 120 ARG CG C 13 26.346 0.2 . 1 . . . . 120 R CG . 16007 1 1555 . 1 1 120 120 ARG N N 15 123.692 0.2 . 1 . . . . 120 R N . 16007 1 1556 . 1 1 120 120 ARG NE N 15 84.580 0.2 . 1 . . . . 120 R NE . 16007 1 1557 . 1 1 121 121 PHE H H 1 8.585 0.01 . 1 . . . . 121 F H . 16007 1 1558 . 1 1 121 121 PHE HA H 1 4.591 0.01 . 1 . . . . 121 F HA . 16007 1 1559 . 1 1 121 121 PHE HB2 H 1 3.333 0.01 . 2 . . . . 121 F HB2 . 16007 1 1560 . 1 1 121 121 PHE HB3 H 1 2.767 0.01 . 2 . . . . 121 F HB3 . 16007 1 1561 . 1 1 121 121 PHE HD1 H 1 7.320 0.01 . 3 . . . . 121 F QD . 16007 1 1562 . 1 1 121 121 PHE HD2 H 1 7.320 0.01 . 3 . . . . 121 F QD . 16007 1 1563 . 1 1 121 121 PHE HE1 H 1 7.387 0.01 . 3 . . . . 121 F QE . 16007 1 1564 . 1 1 121 121 PHE HE2 H 1 7.387 0.01 . 3 . . . . 121 F QE . 16007 1 1565 . 1 1 121 121 PHE HZ H 1 7.657 0.01 . 1 . . . . 121 F HZ . 16007 1 1566 . 1 1 121 121 PHE C C 13 176.430 0.080 . 1 . . . . 121 PHE C . 16007 1 1567 . 1 1 121 121 PHE CA C 13 60.370 0.2 . 1 . . . . 121 F CA . 16007 1 1568 . 1 1 121 121 PHE CB C 13 38.713 0.2 . 1 . . . . 121 F CB . 16007 1 1569 . 1 1 121 121 PHE CD1 C 13 131.474 0.2 . 3 . . . . 121 F CD1 . 16007 1 1570 . 1 1 121 121 PHE CE1 C 13 131.720 0.2 . 3 . . . . 121 F CE1 . 16007 1 1571 . 1 1 121 121 PHE CZ C 13 130.378 0.2 . 1 . . . . 121 F CZ . 16007 1 1572 . 1 1 121 121 PHE N N 15 120.110 0.2 . 1 . . . . 121 F N . 16007 1 1573 . 1 1 122 122 ALA H H 1 7.896 0.01 . 1 . . . . 122 A H . 16007 1 1574 . 1 1 122 122 ALA HA H 1 4.304 0.01 . 1 . . . . 122 A HA . 16007 1 1575 . 1 1 122 122 ALA HB1 H 1 1.286 0.01 . 1 . . . . 122 A QB . 16007 1 1576 . 1 1 122 122 ALA HB2 H 1 1.286 0.01 . 1 . . . . 122 A QB . 16007 1 1577 . 1 1 122 122 ALA HB3 H 1 1.286 0.01 . 1 . . . . 122 A QB . 16007 1 1578 . 1 1 122 122 ALA C C 13 177.430 0.080 . 1 . . . . 122 ALA C . 16007 1 1579 . 1 1 122 122 ALA CA C 13 52.050 0.2 . 1 . . . . 122 A CA . 16007 1 1580 . 1 1 122 122 ALA CB C 13 19.865 0.2 . 1 . . . . 122 A CB . 16007 1 1581 . 1 1 122 122 ALA N N 15 123.820 0.2 . 1 . . . . 122 A N . 16007 1 1582 . 1 1 123 123 SER H H 1 8.675 0.01 . 1 . . . . 123 S H . 16007 1 1583 . 1 1 123 123 SER HA H 1 4.372 0.01 . 1 . . . . 123 S HA . 16007 1 1584 . 1 1 123 123 SER HB2 H 1 3.864 0.01 . 2 . . . . 123 S HB2 . 16007 1 1585 . 1 1 123 123 SER HB3 H 1 3.840 0.01 . 2 . . . . 123 S HB3 . 16007 1 1586 . 1 1 123 123 SER C C 13 173.630 0.080 . 1 . . . . 123 SER C . 16007 1 1587 . 1 1 123 123 SER CA C 13 58.750 0.2 . 1 . . . . 123 S CA . 16007 1 1588 . 1 1 123 123 SER CB C 13 63.870 0.2 . 1 . . . . 123 S CB . 16007 1 1589 . 1 1 123 123 SER N N 15 117.330 0.2 . 1 . . . . 123 S N . 16007 1 1590 . 1 1 124 124 SER H H 1 7.873 0.01 . 1 . . . . 124 S H . 16007 1 1591 . 1 1 124 124 SER HA H 1 4.191 0.01 . 1 . . . . 124 S HA . 16007 1 1592 . 1 1 124 124 SER HB2 H 1 3.780 0.01 . 2 . . . . 124 S QB . 16007 1 1593 . 1 1 124 124 SER HB3 H 1 3.780 0.01 . 2 . . . . 124 S QB . 16007 1 1594 . 1 1 124 124 SER CA C 13 59.860 0.2 . 1 . . . . 124 S CA . 16007 1 1595 . 1 1 124 124 SER CB C 13 64.764 0.2 . 1 . . . . 124 S CB . 16007 1 1596 . 1 1 124 124 SER N N 15 122.460 0.2 . 1 . . . . 124 S N . 16007 1 stop_ save_