data_15737 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15737 _Entry.Title ; Solution structure of an N-glycosylated protein using in vitro glycosylation ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-04-18 _Entry.Accession_date 2008-04-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'AcrA(61-210DD) glycosylated by N-glycan from C. jejuni' _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 Vadim Slynko . . . 15737 2 Mario Schubert . . . 15737 3 Shin Numao . . . 15737 4 Michael Kowarik . . . 15737 5 Markus Aebi . . . 15737 6 Frederic Allain . H.-T. . 15737 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 . 'not applicable' 'not applicable' . 15737 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID glycoprotein . 15737 glycosylation . 15737 N-glycan . 15737 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15737 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 387 15737 '15N chemical shifts' 117 15737 '1H chemical shifts' 828 15737 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-05-27 2008-04-18 update BMRB 'update entity/assembly name' 15737 1 . . 2009-01-23 2008-04-18 original author 'original release' 15737 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15735 'nonglycosylated form' 15737 PDB 2K32 'nonglycosylated form' 15737 PDB 2K33 'BMRB Entry Tracking System' 15737 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15737 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19154179 _Citation.Full_citation . _Citation.Title 'NMR structure determination of a segmentally labeled glycoprotein using in vitro glycosylation' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 131 _Citation.Journal_issue 3 _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 1274 _Citation.Page_last 1281 _Citation.Year 2009 _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 Vadim Slynko . . . 15737 1 2 Mario Schubert . . . 15737 1 3 Shin Numao . . . 15737 1 4 Michael Kowarik . . . 15737 1 5 Markus Aebi . . . 15737 1 6 Frederic Allain . H.-T. . 15737 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15737 _Assembly.ID 1 _Assembly.Name 'AcrA(61-210DD) glycosylated' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'AcrA (61-210DD)' 1 $entity_1 A . yes native no no . . . 15737 1 2 'SUGAR (7-MER)' 2 $SUGAR_(7-MER) B . yes native no no . . . 15737 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 covalent single . 1 . 1 ASN 42 42 ND2 . 2 . 2 X 1 1 C1 . . . . . . . . . . 15737 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 15737 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'AcrA (61-210DD)' _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 ; DVIIKPQVSGVIVNKLFKAG DKVKKGQTLFIIEQDQASKD FNRSKALFSQSAISQKEYDS SLATLDHTEIKAPFDGTIGD ALVNIGDYVSASTTELVRVT NLNPIYADGSHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; consists of res. 61-210 of the AcrA protein from Campylobacter jejuni with deletions of res. 97-117 and 146-166, and two point mutations: K96Q and K131Q. Note that the sugar is covalently attached to Asn123 (Asn42 in entry). ; _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 116 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12748.376 _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 BMRB 15735 . AcrA(61-210DD) . . . . . 100.00 116 100.00 100.00 5.30e-77 . . . . 15737 1 2 no PDB 2K32 . "Truncated Acra From Campylobacter Jejuni For Glycosylation Studies" . . . . . 100.00 116 100.00 100.00 5.30e-77 . . . . 15737 1 3 no PDB 2K33 . "Solution Structure Of An N-Glycosylated Protein Using In Vitro Glycosylation" . . . . . 100.00 116 100.00 100.00 5.30e-77 . . . . 15737 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 . ASP . 15737 1 2 . VAL . 15737 1 3 . ILE . 15737 1 4 . ILE . 15737 1 5 . LYS . 15737 1 6 . PRO . 15737 1 7 . GLN . 15737 1 8 . VAL . 15737 1 9 . SER . 15737 1 10 . GLY . 15737 1 11 . VAL . 15737 1 12 . ILE . 15737 1 13 . VAL . 15737 1 14 . ASN . 15737 1 15 . LYS . 15737 1 16 . LEU . 15737 1 17 . PHE . 15737 1 18 . LYS . 15737 1 19 . ALA . 15737 1 20 . GLY . 15737 1 21 . ASP . 15737 1 22 . LYS . 15737 1 23 . VAL . 15737 1 24 . LYS . 15737 1 25 . LYS . 15737 1 26 . GLY . 15737 1 27 . GLN . 15737 1 28 . THR . 15737 1 29 . LEU . 15737 1 30 . PHE . 15737 1 31 . ILE . 15737 1 32 . ILE . 15737 1 33 . GLU . 15737 1 34 . GLN . 15737 1 35 . ASP . 15737 1 36 . GLN . 15737 1 37 . ALA . 15737 1 38 . SER . 15737 1 39 . LYS . 15737 1 40 . ASP . 15737 1 41 . PHE . 15737 1 42 . ASN . 15737 1 43 . ARG . 15737 1 44 . SER . 15737 1 45 . LYS . 15737 1 46 . ALA . 15737 1 47 . LEU . 15737 1 48 . PHE . 15737 1 49 . SER . 15737 1 50 . GLN . 15737 1 51 . SER . 15737 1 52 . ALA . 15737 1 53 . ILE . 15737 1 54 . SER . 15737 1 55 . GLN . 15737 1 56 . LYS . 15737 1 57 . GLU . 15737 1 58 . TYR . 15737 1 59 . ASP . 15737 1 60 . SER . 15737 1 61 . SER . 15737 1 62 . LEU . 15737 1 63 . ALA . 15737 1 64 . THR . 15737 1 65 . LEU . 15737 1 66 . ASP . 15737 1 67 . HIS . 15737 1 68 . THR . 15737 1 69 . GLU . 15737 1 70 . ILE . 15737 1 71 . LYS . 15737 1 72 . ALA . 15737 1 73 . PRO . 15737 1 74 . PHE . 15737 1 75 . ASP . 15737 1 76 . GLY . 15737 1 77 . THR . 15737 1 78 . ILE . 15737 1 79 . GLY . 15737 1 80 . ASP . 15737 1 81 . ALA . 15737 1 82 . LEU . 15737 1 83 . VAL . 15737 1 84 . ASN . 15737 1 85 . ILE . 15737 1 86 . GLY . 15737 1 87 . ASP . 15737 1 88 . TYR . 15737 1 89 . VAL . 15737 1 90 . SER . 15737 1 91 . ALA . 15737 1 92 . SER . 15737 1 93 . THR . 15737 1 94 . THR . 15737 1 95 . GLU . 15737 1 96 . LEU . 15737 1 97 . VAL . 15737 1 98 . ARG . 15737 1 99 . VAL . 15737 1 100 . THR . 15737 1 101 . ASN . 15737 1 102 . LEU . 15737 1 103 . ASN . 15737 1 104 . PRO . 15737 1 105 . ILE . 15737 1 106 . TYR . 15737 1 107 . ALA . 15737 1 108 . ASP . 15737 1 109 . GLY . 15737 1 110 . SER . 15737 1 111 . HIS . 15737 1 112 . HIS . 15737 1 113 . HIS . 15737 1 114 . HIS . 15737 1 115 . HIS . 15737 1 116 . HIS . 15737 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ASP 1 1 15737 1 . VAL 2 2 15737 1 . ILE 3 3 15737 1 . ILE 4 4 15737 1 . LYS 5 5 15737 1 . PRO 6 6 15737 1 . GLN 7 7 15737 1 . VAL 8 8 15737 1 . SER 9 9 15737 1 . GLY 10 10 15737 1 . VAL 11 11 15737 1 . ILE 12 12 15737 1 . VAL 13 13 15737 1 . ASN 14 14 15737 1 . LYS 15 15 15737 1 . LEU 16 16 15737 1 . PHE 17 17 15737 1 . LYS 18 18 15737 1 . ALA 19 19 15737 1 . GLY 20 20 15737 1 . ASP 21 21 15737 1 . LYS 22 22 15737 1 . VAL 23 23 15737 1 . LYS 24 24 15737 1 . LYS 25 25 15737 1 . GLY 26 26 15737 1 . GLN 27 27 15737 1 . THR 28 28 15737 1 . LEU 29 29 15737 1 . PHE 30 30 15737 1 . ILE 31 31 15737 1 . ILE 32 32 15737 1 . GLU 33 33 15737 1 . GLN 34 34 15737 1 . ASP 35 35 15737 1 . GLN 36 36 15737 1 . ALA 37 37 15737 1 . SER 38 38 15737 1 . LYS 39 39 15737 1 . ASP 40 40 15737 1 . PHE 41 41 15737 1 . ASN 42 42 15737 1 . ARG 43 43 15737 1 . SER 44 44 15737 1 . LYS 45 45 15737 1 . ALA 46 46 15737 1 . LEU 47 47 15737 1 . PHE 48 48 15737 1 . SER 49 49 15737 1 . GLN 50 50 15737 1 . SER 51 51 15737 1 . ALA 52 52 15737 1 . ILE 53 53 15737 1 . SER 54 54 15737 1 . GLN 55 55 15737 1 . LYS 56 56 15737 1 . GLU 57 57 15737 1 . TYR 58 58 15737 1 . ASP 59 59 15737 1 . SER 60 60 15737 1 . SER 61 61 15737 1 . LEU 62 62 15737 1 . ALA 63 63 15737 1 . THR 64 64 15737 1 . LEU 65 65 15737 1 . ASP 66 66 15737 1 . HIS 67 67 15737 1 . THR 68 68 15737 1 . GLU 69 69 15737 1 . ILE 70 70 15737 1 . LYS 71 71 15737 1 . ALA 72 72 15737 1 . PRO 73 73 15737 1 . PHE 74 74 15737 1 . ASP 75 75 15737 1 . GLY 76 76 15737 1 . THR 77 77 15737 1 . ILE 78 78 15737 1 . GLY 79 79 15737 1 . ASP 80 80 15737 1 . ALA 81 81 15737 1 . LEU 82 82 15737 1 . VAL 83 83 15737 1 . ASN 84 84 15737 1 . ILE 85 85 15737 1 . GLY 86 86 15737 1 . ASP 87 87 15737 1 . TYR 88 88 15737 1 . VAL 89 89 15737 1 . SER 90 90 15737 1 . ALA 91 91 15737 1 . SER 92 92 15737 1 . THR 93 93 15737 1 . THR 94 94 15737 1 . GLU 95 95 15737 1 . LEU 96 96 15737 1 . VAL 97 97 15737 1 . ARG 98 98 15737 1 . VAL 99 99 15737 1 . THR 100 100 15737 1 . ASN 101 101 15737 1 . LEU 102 102 15737 1 . ASN 103 103 15737 1 . PRO 104 104 15737 1 . ILE 105 105 15737 1 . TYR 106 106 15737 1 . ALA 107 107 15737 1 . ASP 108 108 15737 1 . GLY 109 109 15737 1 . SER 110 110 15737 1 . HIS 111 111 15737 1 . HIS 112 112 15737 1 . HIS 113 113 15737 1 . HIS 114 114 15737 1 . HIS 115 115 15737 1 . HIS 116 116 15737 1 stop_ save_ save_SUGAR_(7-MER) _Entity.Sf_category entity _Entity.Sf_framecode SUGAR_(7-MER) _Entity.Entry_ID 15737 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name SUGAR_(7-MER) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polysaccharide(D) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code XXXXXXX _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; GalNAc-a1,4-GalNAc-a1,4-[Glc-b1,3]GalNAc-a1,4-GalNAc-a1,4-GalNAc-a1,3-Bac-1,N-Asn Note that the glycan is covalently attached to Asn42, see submitted pdf. Bac stands for bacillosamine and is identical to 2,4-diacetamido-2,4,6-trideoxyglucopyranose. It is part of the glycan chain, is linked to Asn42 and the rest of the glycan. ; _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 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1196.129 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 X . 15737 2 2 2 A2G . 15737 2 3 3 A2G . 15737 2 4 4 A2G . 15737 2 5 5 A2G . 15737 2 6 5' BGC . 15737 2 7 6 A2G . 15737 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . X 1 1 15737 2 . A2G 2 2 15737 2 . A2G 3 3 15737 2 . A2G 4 4 15737 2 . A2G 5 5 15737 2 . BGC 6 6 15737 2 . A2G 7 7 15737 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15737 _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 $entity_1 . 197 organism . 'Campylobacter jejuni' 'Campylobacter jejuni' . . Bacteria . Campylobacter jejuni . . . . . . . . . . . . . . . . . . . . . 15737 1 2 2 $SUGAR_(7-MER) . 197 organism . 'Campylobacter jejuni' 'Campylobacter jejuni' . . Bacteria . Campylobacter jejuni . . . . . . . . . . . . . . . . . . . . . 15737 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 15737 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE) . . . . . . . . . . . . . . . pET24b . . . . . . 15737 1 2 2 $SUGAR_(7-MER) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli CLM24 . . . . . . . . . . . . . . . pACYCpglmut . . . . . . 15737 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_A2G _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_A2G _Chem_comp.Entry_ID 15737 _Chem_comp.ID A2G _Chem_comp.Provenance . _Chem_comp.Name N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE _Chem_comp.Type saccharide _Chem_comp.BMRB_code . _Chem_comp.PDB_code A2G _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code A2G _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C8 H15 N O6' _Chem_comp.Formula_weight 221.208 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; For the glycan structure see also Young et al. (2002) J. Biol. Chem. 277, 42530. Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 17:40:20 2008 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(=O)NC1C(C(C(OC1O)CO)O)O SMILES 'OpenEye OEToolkits' 1.5.0 15737 A2G CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15737 A2G CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O SMILES_CANONICAL CACTVS 3.341 15737 A2G CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O SMILES CACTVS 3.341 15737 A2G InChI=1/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m1/s1 InChI InChI 1.01 15737 A2G O=C(NC1C(O)C(O)C(OC1O)CO)C SMILES ACDLabs 10.04 15737 A2G stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 2-(acetylamino)-2-deoxy-alpha-D-galactopyranose 'SYSTEMATIC NAME' ACDLabs 10.04 15737 A2G N-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15737 A2G stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 . C1 . . C . S . 0 . . . . no no . . . . . . . . . . . . . . . 15737 A2G C2 . C2 . . C . R . 0 . . . . no no . . . . . . . . . . . . . . . 15737 A2G C3 . C3 . . C . R . 0 . . . . no no . . . . . . . . . . . . . . . 15737 A2G C4 . C4 . . C . R . 0 . . . . no no . . . . . . . . . . . . . . . 15737 A2G C5 . C5 . . C . R . 0 . . . . no no . . . . . . . . . . . . . . . 15737 A2G C6 . C6 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 A2G C7 . C7 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 A2G C8 . C8 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 A2G H1 . H1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 A2G H2 . H2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 A2G H3 . H3 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 A2G H4 . H4 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 A2G H5 . H5 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 A2G H61 . H61 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 A2G H62 . H62 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 A2G H81 . H81 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 A2G H82 . H82 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 A2G H83 . H83 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 A2G HN2 . HN2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 A2G HO1 . HO1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 A2G HO3 . HO3 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 A2G HO4 . HO4 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 A2G HO6 . HO6 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 A2G N2 . N2 . . N . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 A2G O . O . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 A2G O1 . O1 . . O . N . 0 . . . . no yes . . . . . . . . . . . . . . . 15737 A2G O3 . O3 . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 A2G O4 . O4 . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 A2G O6 . O6 . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 A2G O7 . O7 . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 A2G stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C1 C2 . . . . 15737 A2G 2 . SING C1 O . . . . 15737 A2G 3 . SING C1 O1 . . . . 15737 A2G 4 . SING C1 H1 . . . . 15737 A2G 5 . SING C2 C3 . . . . 15737 A2G 6 . SING C2 N2 . . . . 15737 A2G 7 . SING C2 H2 . . . . 15737 A2G 8 . SING C3 C4 . . . . 15737 A2G 9 . SING C3 O3 . . . . 15737 A2G 10 . SING C3 H3 . . . . 15737 A2G 11 . SING C4 C5 . . . . 15737 A2G 12 . SING C4 O4 . . . . 15737 A2G 13 . SING C4 H4 . . . . 15737 A2G 14 . SING C5 C6 . . . . 15737 A2G 15 . SING C5 O . . . . 15737 A2G 16 . SING C5 H5 . . . . 15737 A2G 17 . SING C6 O6 . . . . 15737 A2G 18 . SING C6 H61 . . . . 15737 A2G 19 . SING C6 H62 . . . . 15737 A2G 20 . SING C7 C8 . . . . 15737 A2G 21 . DOUB C7 O7 . . . . 15737 A2G 22 . SING C7 N2 . . . . 15737 A2G 23 . SING C8 H81 . . . . 15737 A2G 24 . SING C8 H82 . . . . 15737 A2G 25 . SING C8 H83 . . . . 15737 A2G 26 . SING O1 HO1 . . . . 15737 A2G 27 . SING O3 HO3 . . . . 15737 A2G 28 . SING O4 HO4 . . . . 15737 A2G 29 . SING O6 HO6 . . . . 15737 A2G 30 . SING N2 HN2 . . . . 15737 A2G stop_ save_ save_chem_comp_BGC _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_BGC _Chem_comp.Entry_ID 15737 _Chem_comp.ID BGC _Chem_comp.Provenance . _Chem_comp.Name BETA-D-GLUCOSE _Chem_comp.Type saccharide _Chem_comp.BMRB_code . _Chem_comp.PDB_code BGC _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code BGC _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C6 H12 O6' _Chem_comp.Formula_weight 180.156 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:03:18 2008 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C(C1C(C(C(C(O1)O)O)O)O)O SMILES 'OpenEye OEToolkits' 1.5.0 15737 BGC C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15737 BGC InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 InChI InChI 1.01 15737 BGC OC1C(O)C(OC(O)C1O)CO SMILES ACDLabs 10.04 15737 BGC OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O SMILES_CANONICAL CACTVS 3.341 15737 BGC OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O SMILES CACTVS 3.341 15737 BGC stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID (2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15737 BGC beta-D-glucopyranose 'SYSTEMATIC NAME' ACDLabs 10.04 15737 BGC stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 . C1 . . C . R . 0 . . . . no no . . . . . . . . . . . . . . . 15737 BGC C2 . C2 . . C . R . 0 . . . . no no . . . . . . . . . . . . . . . 15737 BGC C3 . C3 . . C . S . 0 . . . . no no . . . . . . . . . . . . . . . 15737 BGC C4 . C4 . . C . S . 0 . . . . no no . . . . . . . . . . . . . . . 15737 BGC C5 . C5 . . C . R . 0 . . . . no no . . . . . . . . . . . . . . . 15737 BGC C6 . C6 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 BGC H1 . H1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 BGC H2 . H2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 BGC H3 . H3 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 BGC H4 . H4 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 BGC H5 . H5 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 BGC H6 . H6 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 BGC H6C1 . H6C1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 BGC H6C2 . H6C2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 BGC HA . HA . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 BGC HB . HB . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 BGC HC . HC . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 BGC HD . HD . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 BGC O1 . O1 . . O . N . 0 . . . . no yes . . . . . . . . . . . . . . . 15737 BGC O2 . O2 . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 BGC O3 . O3 . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 BGC O4 . O4 . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 BGC O5 . O5 . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 BGC O6 . O6 . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15737 BGC stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C2 C3 . . . . 15737 BGC 2 . SING C2 C1 . . . . 15737 BGC 3 . SING C2 O2 . . . . 15737 BGC 4 . SING C2 H2 . . . . 15737 BGC 5 . SING C3 C4 . . . . 15737 BGC 6 . SING C3 O3 . . . . 15737 BGC 7 . SING C3 H3 . . . . 15737 BGC 8 . SING C4 C5 . . . . 15737 BGC 9 . SING C4 O4 . . . . 15737 BGC 10 . SING C4 H4 . . . . 15737 BGC 11 . SING C5 C6 . . . . 15737 BGC 12 . SING C5 O5 . . . . 15737 BGC 13 . SING C5 H5 . . . . 15737 BGC 14 . SING C6 O6 . . . . 15737 BGC 15 . SING C6 H6C1 . . . . 15737 BGC 16 . SING C6 H6C2 . . . . 15737 BGC 17 . SING C1 O1 . . . . 15737 BGC 18 . SING C1 O5 . . . . 15737 BGC 19 . SING C1 H1 . . . . 15737 BGC 20 . SING O1 HA . . . . 15737 BGC 21 . SING O2 HB . . . . 15737 BGC 22 . SING O3 HC . . . . 15737 BGC 23 . SING O4 HD . . . . 15737 BGC 24 . SING O6 H6 . . . . 15737 BGC stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15737 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N sample H2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 15737 1 2 'SUGAR (7-MER)' 'natural abundance' . . 2 $SUGAR_(7-MER) . . 1 . . mM . . . . 15737 1 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15737 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15737 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C/15N sample H2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 15737 2 2 'SUGAR (7-MER)' 'natural abundance' . . 2 $SUGAR_(7-MER) . . 1 . . mM . . . . 15737 2 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15737 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15737 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N sample D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 entity_1 '[U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 15737 3 2 'SUGAR (7-MER)' 'natural abundance' . . 2 $SUGAR_(7-MER) . . 1 . . mM . . . . 15737 3 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15737 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 15737 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C/15N sample D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 15737 4 2 'SUGAR (7-MER)' 'natural abundance' . . 2 $SUGAR_(7-MER) . . 1 . . mM . . . . 15737 4 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15737 4 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 15737 _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' 50 . mM 15737 1 pH 6.4 . pH 15737 1 pressure 1 . atm 15737 1 temperature 303 . K 15737 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15737 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15737 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15737 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15737 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15737 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15737 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15737 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15737 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15737 3 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 15737 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15737 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15737 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 15737 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 15737 _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 . 500 . . . 15737 1 2 spectrometer_2 Bruker Avance . 600 . . . 15737 1 3 spectrometer_3 Bruker Avance . 750 . . . 15737 1 4 spectrometer_4 Bruker Avance . 900 . . . 15737 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 15737 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15737 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15737 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15737 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15737 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15737 1 6 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15737 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15737 1 8 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15737 1 9 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15737 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15737 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15737 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15737 1 13 '2D 13C filtered-filtered NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15737 1 14 '2D 15N filtered-filtered NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15737 1 15 '3D 13C edited-filtered NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15737 1 16 '2D 13C filtered-edited NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15737 1 17 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15737 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 15737 _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 0.00 . indirect 0.251449530 . . . . . . . . . 15737 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 15737 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15737 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 15737 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _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 1H-15N HSQC' . . . 15737 1 11 '3D 1H-13C NOESY' . . . 15737 1 12 '3D 1H-15N NOESY' . . . 15737 1 13 '2D 13C filtered-filtered NOESY' . . . 15737 1 14 '2D 15N filtered-filtered NOESY' . . . 15737 1 17 '2D 1H-13C HSQC' . . . 15737 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 ASP CA C 13 54.222 0.049 . 1 . . . . 1 D CA . 15737 1 2 . 1 1 2 2 VAL H H 1 8.613 0.006 . 1 . . . . 2 V HN . 15737 1 3 . 1 1 2 2 VAL HA H 1 4.487 0.002 . 1 . . . . 2 V HA . 15737 1 4 . 1 1 2 2 VAL HB H 1 2.019 0.006 . 1 . . . . 2 V HB . 15737 1 5 . 1 1 2 2 VAL HG11 H 1 0.938 0.002 . 2 . . . . 2 V HG1 . 15737 1 6 . 1 1 2 2 VAL HG12 H 1 0.938 0.002 . 2 . . . . 2 V HG1 . 15737 1 7 . 1 1 2 2 VAL HG13 H 1 0.938 0.002 . 2 . . . . 2 V HG1 . 15737 1 8 . 1 1 2 2 VAL HG21 H 1 0.848 0.004 . 2 . . . . 2 V HG2 . 15737 1 9 . 1 1 2 2 VAL HG22 H 1 0.848 0.004 . 2 . . . . 2 V HG2 . 15737 1 10 . 1 1 2 2 VAL HG23 H 1 0.848 0.004 . 2 . . . . 2 V HG2 . 15737 1 11 . 1 1 2 2 VAL CA C 13 61.103 0.044 . 1 . . . . 2 V CA . 15737 1 12 . 1 1 2 2 VAL CB C 13 35.731 0.045 . 1 . . . . 2 V CB . 15737 1 13 . 1 1 2 2 VAL CG1 C 13 21.610 0.2 . 2 . . . . 2 V CG1 . 15737 1 14 . 1 1 2 2 VAL CG2 C 13 21.193 0.2 . 2 . . . . 2 V CG2 . 15737 1 15 . 1 1 2 2 VAL N N 15 117.956 0.038 . 1 . . . . 2 V N . 15737 1 16 . 1 1 3 3 ILE H H 1 8.439 0.002 . 1 . . . . 3 I HN . 15737 1 17 . 1 1 3 3 ILE HA H 1 4.498 0.006 . 1 . . . . 3 I HA . 15737 1 18 . 1 1 3 3 ILE HB H 1 1.702 0.004 . 1 . . . . 3 I HB . 15737 1 19 . 1 1 3 3 ILE HD11 H 1 0.757 0.005 . 1 . . . . 3 I HD1 . 15737 1 20 . 1 1 3 3 ILE HD12 H 1 0.757 0.005 . 1 . . . . 3 I HD1 . 15737 1 21 . 1 1 3 3 ILE HD13 H 1 0.757 0.005 . 1 . . . . 3 I HD1 . 15737 1 22 . 1 1 3 3 ILE HG12 H 1 1.486 0.009 . 2 . . . . 3 I HG12 . 15737 1 23 . 1 1 3 3 ILE HG13 H 1 0.880 0.002 . 2 . . . . 3 I HG13 . 15737 1 24 . 1 1 3 3 ILE HG21 H 1 0.701 0.013 . 1 . . . . 3 I HG2 . 15737 1 25 . 1 1 3 3 ILE HG22 H 1 0.701 0.013 . 1 . . . . 3 I HG2 . 15737 1 26 . 1 1 3 3 ILE HG23 H 1 0.701 0.013 . 1 . . . . 3 I HG2 . 15737 1 27 . 1 1 3 3 ILE CA C 13 60.172 0.045 . 1 . . . . 3 I CA . 15737 1 28 . 1 1 3 3 ILE CB C 13 38.528 0.047 . 1 . . . . 3 I CB . 15737 1 29 . 1 1 3 3 ILE CD1 C 13 13.215 0.2 . 1 . . . . 3 I CD1 . 15737 1 30 . 1 1 3 3 ILE CG1 C 13 28.014 0.100 . 1 . . . . 3 I CG1 . 15737 1 31 . 1 1 3 3 ILE CG2 C 13 17.905 0.2 . 1 . . . . 3 I CG2 . 15737 1 32 . 1 1 3 3 ILE N N 15 125.643 0.028 . 1 . . . . 3 I N . 15737 1 33 . 1 1 4 4 ILE H H 1 8.543 0.005 . 1 . . . . 4 I HN . 15737 1 34 . 1 1 4 4 ILE HA H 1 4.005 0.004 . 1 . . . . 4 I HA . 15737 1 35 . 1 1 4 4 ILE HB H 1 1.733 0.008 . 1 . . . . 4 I HB . 15737 1 36 . 1 1 4 4 ILE HD11 H 1 0.486 0.011 . 1 . . . . 4 I HD1 . 15737 1 37 . 1 1 4 4 ILE HD12 H 1 0.486 0.011 . 1 . . . . 4 I HD1 . 15737 1 38 . 1 1 4 4 ILE HD13 H 1 0.486 0.011 . 1 . . . . 4 I HD1 . 15737 1 39 . 1 1 4 4 ILE HG12 H 1 1.308 0.009 . 2 . . . . 4 I HG12 . 15737 1 40 . 1 1 4 4 ILE HG13 H 1 1.045 0.010 . 2 . . . . 4 I HG13 . 15737 1 41 . 1 1 4 4 ILE HG21 H 1 0.719 0.004 . 1 . . . . 4 I HG2 . 15737 1 42 . 1 1 4 4 ILE HG22 H 1 0.719 0.004 . 1 . . . . 4 I HG2 . 15737 1 43 . 1 1 4 4 ILE HG23 H 1 0.719 0.004 . 1 . . . . 4 I HG2 . 15737 1 44 . 1 1 4 4 ILE CA C 13 61.550 0.040 . 1 . . . . 4 I CA . 15737 1 45 . 1 1 4 4 ILE CB C 13 38.038 0.045 . 1 . . . . 4 I CB . 15737 1 46 . 1 1 4 4 ILE CD1 C 13 13.202 0.2 . 1 . . . . 4 I CD1 . 15737 1 47 . 1 1 4 4 ILE CG1 C 13 27.534 0.065 . 1 . . . . 4 I CG1 . 15737 1 48 . 1 1 4 4 ILE CG2 C 13 17.498 0.2 . 1 . . . . 4 I CG2 . 15737 1 49 . 1 1 4 4 ILE N N 15 127.460 0.030 . 1 . . . . 4 I N . 15737 1 50 . 1 1 5 5 LYS H H 1 8.292 0.002 . 1 . . . . 5 K HN . 15737 1 51 . 1 1 5 5 LYS HA H 1 5.173 0.005 . 1 . . . . 5 K HA . 15737 1 52 . 1 1 5 5 LYS HB2 H 1 1.417 0.007 . 2 . . . . 5 K HB2 . 15737 1 53 . 1 1 5 5 LYS HB3 H 1 1.401 0.008 . 2 . . . . 5 K HB3 . 15737 1 54 . 1 1 5 5 LYS HD2 H 1 1.365 0.018 . 2 . . . . 5 K HD2 . 15737 1 55 . 1 1 5 5 LYS HD3 H 1 1.319 0.012 . 2 . . . . 5 K HD3 . 15737 1 56 . 1 1 5 5 LYS HE2 H 1 2.753 0.002 . 2 . . . . 5 K HE . 15737 1 57 . 1 1 5 5 LYS HE3 H 1 2.753 0.002 . 2 . . . . 5 K HE . 15737 1 58 . 1 1 5 5 LYS HG2 H 1 1.244 0.004 . 2 . . . . 5 K HG2 . 15737 1 59 . 1 1 5 5 LYS HG3 H 1 1.136 0.009 . 2 . . . . 5 K HG3 . 15737 1 60 . 1 1 5 5 LYS CA C 13 53.276 0.034 . 1 . . . . 5 K CA . 15737 1 61 . 1 1 5 5 LYS CB C 13 33.713 0.065 . 1 . . . . 5 K CB . 15737 1 62 . 1 1 5 5 LYS CD C 13 29.395 0.058 . 1 . . . . 5 K CD . 15737 1 63 . 1 1 5 5 LYS CE C 13 42.480 0.2 . 1 . . . . 5 K CE . 15737 1 64 . 1 1 5 5 LYS CG C 13 25.334 0.107 . 1 . . . . 5 K CG . 15737 1 65 . 1 1 5 5 LYS N N 15 126.677 0.043 . 1 . . . . 5 K N . 15737 1 66 . 1 1 6 6 PRO HA H 1 4.383 0.004 . 1 . . . . 6 P HA . 15737 1 67 . 1 1 6 6 PRO HB2 H 1 2.420 0.009 . 2 . . . . 6 P HB2 . 15737 1 68 . 1 1 6 6 PRO HB3 H 1 1.742 0.008 . 2 . . . . 6 P HB3 . 15737 1 69 . 1 1 6 6 PRO HD2 H 1 3.920 0.008 . 2 . . . . 6 P HD2 . 15737 1 70 . 1 1 6 6 PRO HD3 H 1 3.717 0.005 . 2 . . . . 6 P HD3 . 15737 1 71 . 1 1 6 6 PRO HG2 H 1 2.004 0.003 . 2 . . . . 6 P HG2 . 15737 1 72 . 1 1 6 6 PRO HG3 H 1 1.578 0.007 . 2 . . . . 6 P HG3 . 15737 1 73 . 1 1 6 6 PRO CA C 13 62.444 0.038 . 1 . . . . 6 P CA . 15737 1 74 . 1 1 6 6 PRO CB C 13 32.018 0.113 . 1 . . . . 6 P CB . 15737 1 75 . 1 1 6 6 PRO CD C 13 50.115 0.052 . 1 . . . . 6 P CD . 15737 1 76 . 1 1 6 6 PRO CG C 13 26.999 0.064 . 1 . . . . 6 P CG . 15737 1 77 . 1 1 7 7 GLN H H 1 9.359 0.008 . 1 . . . . 7 Q HN . 15737 1 78 . 1 1 7 7 GLN HA H 1 4.406 0.001 . 1 . . . . 7 Q HA . 15737 1 79 . 1 1 7 7 GLN HB2 H 1 2.150 0.005 . 2 . . . . 7 Q HB2 . 15737 1 80 . 1 1 7 7 GLN HB3 H 1 2.009 0.002 . 2 . . . . 7 Q HB3 . 15737 1 81 . 1 1 7 7 GLN HE21 H 1 7.541 0.003 . 2 . . . . 7 Q HE21 . 15737 1 82 . 1 1 7 7 GLN HE22 H 1 6.774 0.011 . 2 . . . . 7 Q HE22 . 15737 1 83 . 1 1 7 7 GLN HG2 H 1 2.487 0.004 . 2 . . . . 7 Q HG2 . 15737 1 84 . 1 1 7 7 GLN HG3 H 1 2.276 0.009 . 2 . . . . 7 Q HG3 . 15737 1 85 . 1 1 7 7 GLN CA C 13 56.357 0.072 . 1 . . . . 7 Q CA . 15737 1 86 . 1 1 7 7 GLN CB C 13 28.784 0.046 . 1 . . . . 7 Q CB . 15737 1 87 . 1 1 7 7 GLN CG C 13 33.926 0.037 . 1 . . . . 7 Q CG . 15737 1 88 . 1 1 7 7 GLN N N 15 119.975 0.045 . 1 . . . . 7 Q N . 15737 1 89 . 1 1 7 7 GLN NE2 N 15 112.117 0.052 . 1 . . . . 7 Q NE2 . 15737 1 90 . 1 1 8 8 VAL H H 1 7.032 0.006 . 1 . . . . 8 V HN . 15737 1 91 . 1 1 8 8 VAL HA H 1 4.486 0.007 . 1 . . . . 8 V HA . 15737 1 92 . 1 1 8 8 VAL HB H 1 2.126 0.003 . 1 . . . . 8 V HB . 15737 1 93 . 1 1 8 8 VAL HG11 H 1 0.807 0.005 . 2 . . . . 8 V HG1 . 15737 1 94 . 1 1 8 8 VAL HG12 H 1 0.807 0.005 . 2 . . . . 8 V HG1 . 15737 1 95 . 1 1 8 8 VAL HG13 H 1 0.807 0.005 . 2 . . . . 8 V HG1 . 15737 1 96 . 1 1 8 8 VAL HG21 H 1 0.540 0.004 . 2 . . . . 8 V HG2 . 15737 1 97 . 1 1 8 8 VAL HG22 H 1 0.540 0.004 . 2 . . . . 8 V HG2 . 15737 1 98 . 1 1 8 8 VAL HG23 H 1 0.540 0.004 . 2 . . . . 8 V HG2 . 15737 1 99 . 1 1 8 8 VAL CA C 13 58.874 0.188 . 1 . . . . 8 V CA . 15737 1 100 . 1 1 8 8 VAL CB C 13 35.169 0.131 . 1 . . . . 8 V CB . 15737 1 101 . 1 1 8 8 VAL CG1 C 13 21.761 0.2 . 2 . . . . 8 V CG1 . 15737 1 102 . 1 1 8 8 VAL CG2 C 13 18.225 0.2 . 2 . . . . 8 V CG2 . 15737 1 103 . 1 1 8 8 VAL N N 15 111.122 0.063 . 1 . . . . 8 V N . 15737 1 104 . 1 1 9 9 SER H H 1 8.210 0.006 . 1 . . . . 9 S HN . 15737 1 105 . 1 1 9 9 SER HA H 1 4.957 0.003 . 1 . . . . 9 S HA . 15737 1 106 . 1 1 9 9 SER HB2 H 1 4.194 0.005 . 2 . . . . 9 S HB2 . 15737 1 107 . 1 1 9 9 SER HB3 H 1 3.756 0.006 . 2 . . . . 9 S HB3 . 15737 1 108 . 1 1 9 9 SER CA C 13 56.585 0.081 . 1 . . . . 9 S CA . 15737 1 109 . 1 1 9 9 SER CB C 13 64.442 0.019 . 1 . . . . 9 S CB . 15737 1 110 . 1 1 9 9 SER N N 15 115.043 0.061 . 1 . . . . 9 S N . 15737 1 111 . 1 1 10 10 GLY H H 1 8.003 0.004 . 1 . . . . 10 G HN . 15737 1 112 . 1 1 10 10 GLY HA2 H 1 4.412 0.008 . 2 . . . . 10 G HA2 . 15737 1 113 . 1 1 10 10 GLY HA3 H 1 3.645 0.006 . 2 . . . . 10 G HA3 . 15737 1 114 . 1 1 10 10 GLY CA C 13 45.292 0.070 . 1 . . . . 10 G CA . 15737 1 115 . 1 1 10 10 GLY N N 15 108.708 0.054 . 1 . . . . 10 G N . 15737 1 116 . 1 1 11 11 VAL H H 1 8.006 0.010 . 1 . . . . 11 V HN . 15737 1 117 . 1 1 11 11 VAL HA H 1 4.743 0.009 . 1 . . . . 11 V HA . 15737 1 118 . 1 1 11 11 VAL HB H 1 1.754 0.006 . 1 . . . . 11 V HB . 15737 1 119 . 1 1 11 11 VAL HG11 H 1 0.925 0.008 . 2 . . . . 11 V HG1 . 15737 1 120 . 1 1 11 11 VAL HG12 H 1 0.925 0.008 . 2 . . . . 11 V HG1 . 15737 1 121 . 1 1 11 11 VAL HG13 H 1 0.925 0.008 . 2 . . . . 11 V HG1 . 15737 1 122 . 1 1 11 11 VAL HG21 H 1 0.710 0.003 . 2 . . . . 11 V HG2 . 15737 1 123 . 1 1 11 11 VAL HG22 H 1 0.710 0.003 . 2 . . . . 11 V HG2 . 15737 1 124 . 1 1 11 11 VAL HG23 H 1 0.710 0.003 . 2 . . . . 11 V HG2 . 15737 1 125 . 1 1 11 11 VAL CA C 13 60.539 0.125 . 1 . . . . 11 V CA . 15737 1 126 . 1 1 11 11 VAL CB C 13 34.951 0.110 . 1 . . . . 11 V CB . 15737 1 127 . 1 1 11 11 VAL CG1 C 13 22.390 0.2 . 2 . . . . 11 V CG1 . 15737 1 128 . 1 1 11 11 VAL CG2 C 13 21.198 0.2 . 2 . . . . 11 V CG2 . 15737 1 129 . 1 1 11 11 VAL N N 15 118.308 0.049 . 1 . . . . 11 V N . 15737 1 130 . 1 1 12 12 ILE H H 1 8.459 0.007 . 1 . . . . 12 I HN . 15737 1 131 . 1 1 12 12 ILE HA H 1 4.050 0.004 . 1 . . . . 12 I HA . 15737 1 132 . 1 1 12 12 ILE HB H 1 2.310 0.002 . 1 . . . . 12 I HB . 15737 1 133 . 1 1 12 12 ILE HD11 H 1 0.262 0.005 . 1 . . . . 12 I HD1 . 15737 1 134 . 1 1 12 12 ILE HD12 H 1 0.262 0.005 . 1 . . . . 12 I HD1 . 15737 1 135 . 1 1 12 12 ILE HD13 H 1 0.262 0.005 . 1 . . . . 12 I HD1 . 15737 1 136 . 1 1 12 12 ILE HG12 H 1 1.451 0.003 . 2 . . . . 12 I HG12 . 15737 1 137 . 1 1 12 12 ILE HG13 H 1 1.112 0.004 . 2 . . . . 12 I HG13 . 15737 1 138 . 1 1 12 12 ILE HG21 H 1 0.817 0.007 . 1 . . . . 12 I HG2 . 15737 1 139 . 1 1 12 12 ILE HG22 H 1 0.817 0.007 . 1 . . . . 12 I HG2 . 15737 1 140 . 1 1 12 12 ILE HG23 H 1 0.817 0.007 . 1 . . . . 12 I HG2 . 15737 1 141 . 1 1 12 12 ILE CA C 13 60.287 0.048 . 1 . . . . 12 I CA . 15737 1 142 . 1 1 12 12 ILE CB C 13 35.650 0.147 . 1 . . . . 12 I CB . 15737 1 143 . 1 1 12 12 ILE CD1 C 13 9.952 0.2 . 1 . . . . 12 I CD1 . 15737 1 144 . 1 1 12 12 ILE CG1 C 13 25.590 0.051 . 1 . . . . 12 I CG1 . 15737 1 145 . 1 1 12 12 ILE CG2 C 13 17.878 0.2 . 1 . . . . 12 I CG2 . 15737 1 146 . 1 1 12 12 ILE N N 15 125.265 0.043 . 1 . . . . 12 I N . 15737 1 147 . 1 1 13 13 VAL H H 1 8.908 0.006 . 1 . . . . 13 V HN . 15737 1 148 . 1 1 13 13 VAL HA H 1 4.500 0.007 . 1 . . . . 13 V HA . 15737 1 149 . 1 1 13 13 VAL HB H 1 2.028 0.005 . 1 . . . . 13 V HB . 15737 1 150 . 1 1 13 13 VAL HG11 H 1 0.848 0.003 . 2 . . . . 13 V HG1 . 15737 1 151 . 1 1 13 13 VAL HG12 H 1 0.848 0.003 . 2 . . . . 13 V HG1 . 15737 1 152 . 1 1 13 13 VAL HG13 H 1 0.848 0.003 . 2 . . . . 13 V HG1 . 15737 1 153 . 1 1 13 13 VAL HG21 H 1 0.674 0.003 . 2 . . . . 13 V HG2 . 15737 1 154 . 1 1 13 13 VAL HG22 H 1 0.674 0.003 . 2 . . . . 13 V HG2 . 15737 1 155 . 1 1 13 13 VAL HG23 H 1 0.674 0.003 . 2 . . . . 13 V HG2 . 15737 1 156 . 1 1 13 13 VAL CA C 13 62.126 0.022 . 1 . . . . 13 V CA . 15737 1 157 . 1 1 13 13 VAL CB C 13 33.291 0.133 . 1 . . . . 13 V CB . 15737 1 158 . 1 1 13 13 VAL CG1 C 13 21.193 0.2 . 2 . . . . 13 V CG1 . 15737 1 159 . 1 1 13 13 VAL CG2 C 13 20.349 0.2 . 2 . . . . 13 V CG2 . 15737 1 160 . 1 1 13 13 VAL N N 15 124.479 0.039 . 1 . . . . 13 V N . 15737 1 161 . 1 1 14 14 ASN H H 1 7.653 0.005 . 1 . . . . 14 N HN . 15737 1 162 . 1 1 14 14 ASN HA H 1 4.819 0.011 . 1 . . . . 14 N HA . 15737 1 163 . 1 1 14 14 ASN HB2 H 1 2.582 0.008 . 2 . . . . 14 N HB2 . 15737 1 164 . 1 1 14 14 ASN HB3 H 1 2.308 0.004 . 2 . . . . 14 N HB3 . 15737 1 165 . 1 1 14 14 ASN HD21 H 1 7.305 0.005 . 2 . . . . 14 N HD21 . 15737 1 166 . 1 1 14 14 ASN HD22 H 1 6.841 0.013 . 2 . . . . 14 N HD22 . 15737 1 167 . 1 1 14 14 ASN CA C 13 52.806 0.022 . 1 . . . . 14 N CA . 15737 1 168 . 1 1 14 14 ASN CB C 13 41.978 0.065 . 1 . . . . 14 N CB . 15737 1 169 . 1 1 14 14 ASN N N 15 114.961 0.061 . 1 . . . . 14 N N . 15737 1 170 . 1 1 14 14 ASN ND2 N 15 109.658 0.020 . 1 . . . . 14 N ND2 . 15737 1 171 . 1 1 15 15 LYS H H 1 8.404 0.004 . 1 . . . . 15 K HN . 15737 1 172 . 1 1 15 15 LYS HA H 1 4.641 0.001 . 1 . . . . 15 K HA . 15737 1 173 . 1 1 15 15 LYS HB2 H 1 1.572 0.004 . 2 . . . . 15 K HB2 . 15737 1 174 . 1 1 15 15 LYS HB3 H 1 1.376 0.004 . 2 . . . . 15 K HB3 . 15737 1 175 . 1 1 15 15 LYS HD2 H 1 1.353 0.004 . 2 . . . . 15 K HD2 . 15737 1 176 . 1 1 15 15 LYS HD3 H 1 1.211 0.004 . 2 . . . . 15 K HD3 . 15737 1 177 . 1 1 15 15 LYS HE2 H 1 2.757 0.005 . 2 . . . . 15 K HE2 . 15737 1 178 . 1 1 15 15 LYS HE3 H 1 2.591 0.005 . 2 . . . . 15 K HE3 . 15737 1 179 . 1 1 15 15 LYS CA C 13 55.935 0.044 . 1 . . . . 15 K CA . 15737 1 180 . 1 1 15 15 LYS CB C 13 35.274 0.104 . 1 . . . . 15 K CB . 15737 1 181 . 1 1 15 15 LYS CD C 13 29.607 0.055 . 1 . . . . 15 K CD . 15737 1 182 . 1 1 15 15 LYS CE C 13 41.435 0.077 . 1 . . . . 15 K CE . 15737 1 183 . 1 1 15 15 LYS N N 15 123.768 0.066 . 1 . . . . 15 K N . 15737 1 184 . 1 1 16 16 LEU H H 1 8.020 0.006 . 1 . . . . 16 L HN . 15737 1 185 . 1 1 16 16 LEU HA H 1 4.611 0.001 . 1 . . . . 16 L HA . 15737 1 186 . 1 1 16 16 LEU HB2 H 1 1.944 0.003 . 2 . . . . 16 L HB2 . 15737 1 187 . 1 1 16 16 LEU HB3 H 1 1.372 0.004 . 2 . . . . 16 L HB3 . 15737 1 188 . 1 1 16 16 LEU HD11 H 1 0.686 0.003 . 2 . . . . 16 L HD1 . 15737 1 189 . 1 1 16 16 LEU HD12 H 1 0.686 0.003 . 2 . . . . 16 L HD1 . 15737 1 190 . 1 1 16 16 LEU HD13 H 1 0.686 0.003 . 2 . . . . 16 L HD1 . 15737 1 191 . 1 1 16 16 LEU HD21 H 1 0.616 0.008 . 2 . . . . 16 L HD2 . 15737 1 192 . 1 1 16 16 LEU HD22 H 1 0.616 0.008 . 2 . . . . 16 L HD2 . 15737 1 193 . 1 1 16 16 LEU HD23 H 1 0.616 0.008 . 2 . . . . 16 L HD2 . 15737 1 194 . 1 1 16 16 LEU HG H 1 1.202 0.002 . 1 . . . . 16 L HG . 15737 1 195 . 1 1 16 16 LEU CA C 13 55.124 0.118 . 1 . . . . 16 L CA . 15737 1 196 . 1 1 16 16 LEU CB C 13 41.308 0.067 . 1 . . . . 16 L CB . 15737 1 197 . 1 1 16 16 LEU CD1 C 13 24.454 0.032 . 2 . . . . 16 L CD1 . 15737 1 198 . 1 1 16 16 LEU CD2 C 13 25.460 0.035 . 2 . . . . 16 L CD2 . 15737 1 199 . 1 1 16 16 LEU CG C 13 28.133 0.049 . 1 . . . . 16 L CG . 15737 1 200 . 1 1 16 16 LEU N N 15 126.162 0.046 . 1 . . . . 16 L N . 15737 1 201 . 1 1 17 17 PHE H H 1 6.573 0.096 . 1 . . . . 17 F HN . 15737 1 202 . 1 1 17 17 PHE HA H 1 4.862 0.008 . 1 . . . . 17 F HA . 15737 1 203 . 1 1 17 17 PHE HB2 H 1 2.937 0.007 . 2 . . . . 17 F HB2 . 15737 1 204 . 1 1 17 17 PHE HB3 H 1 2.818 0.008 . 2 . . . . 17 F HB3 . 15737 1 205 . 1 1 17 17 PHE HD1 H 1 6.781 0.007 . 3 . . . . 17 F HD . 15737 1 206 . 1 1 17 17 PHE HD2 H 1 6.781 0.007 . 3 . . . . 17 F HD . 15737 1 207 . 1 1 17 17 PHE CA C 13 55.528 0.042 . 1 . . . . 17 F CA . 15737 1 208 . 1 1 17 17 PHE CB C 13 41.093 0.090 . 1 . . . . 17 F CB . 15737 1 209 . 1 1 17 17 PHE N N 15 113.628 0.065 . 1 . . . . 17 F N . 15737 1 210 . 1 1 18 18 LYS H H 1 8.655 0.002 . 1 . . . . 18 K HN . 15737 1 211 . 1 1 18 18 LYS HA H 1 4.333 0.005 . 1 . . . . 18 K HA . 15737 1 212 . 1 1 18 18 LYS HB2 H 1 1.721 0.006 . 2 . . . . 18 K HB2 . 15737 1 213 . 1 1 18 18 LYS HB3 H 1 1.680 0.007 . 2 . . . . 18 K HB3 . 15737 1 214 . 1 1 18 18 LYS HD2 H 1 1.682 0.02 . 2 . . . . 18 K HD2 . 15737 1 215 . 1 1 18 18 LYS HD3 H 1 1.688 0.003 . 2 . . . . 18 K HD3 . 15737 1 216 . 1 1 18 18 LYS HE2 H 1 2.951 0.004 . 2 . . . . 18 K HE . 15737 1 217 . 1 1 18 18 LYS HE3 H 1 2.951 0.004 . 2 . . . . 18 K HE . 15737 1 218 . 1 1 18 18 LYS HG2 H 1 1.379 0.005 . 2 . . . . 18 K HG2 . 15737 1 219 . 1 1 18 18 LYS HG3 H 1 1.288 0.008 . 2 . . . . 18 K HG3 . 15737 1 220 . 1 1 18 18 LYS CA C 13 54.277 0.064 . 1 . . . . 18 K CA . 15737 1 221 . 1 1 18 18 LYS CB C 13 35.134 0.086 . 1 . . . . 18 K CB . 15737 1 222 . 1 1 18 18 LYS CD C 13 27.576 0.041 . 1 . . . . 18 K CD . 15737 1 223 . 1 1 18 18 LYS CE C 13 42.042 0.2 . 1 . . . . 18 K CE . 15737 1 224 . 1 1 18 18 LYS CG C 13 24.398 0.123 . 1 . . . . 18 K CG . 15737 1 225 . 1 1 18 18 LYS N N 15 120.572 0.034 . 1 . . . . 18 K N . 15737 1 226 . 1 1 19 19 ALA H H 1 8.407 0.006 . 1 . . . . 19 A HN . 15737 1 227 . 1 1 19 19 ALA HA H 1 3.962 0.005 . 1 . . . . 19 A HA . 15737 1 228 . 1 1 19 19 ALA HB1 H 1 1.289 0.002 . 1 . . . . 19 A HB . 15737 1 229 . 1 1 19 19 ALA HB2 H 1 1.289 0.002 . 1 . . . . 19 A HB . 15737 1 230 . 1 1 19 19 ALA HB3 H 1 1.289 0.002 . 1 . . . . 19 A HB . 15737 1 231 . 1 1 19 19 ALA CA C 13 53.980 0.064 . 1 . . . . 19 A CA . 15737 1 232 . 1 1 19 19 ALA CB C 13 18.497 0.012 . 1 . . . . 19 A CB . 15737 1 233 . 1 1 19 19 ALA N N 15 123.842 0.100 . 1 . . . . 19 A N . 15737 1 234 . 1 1 20 20 GLY H H 1 8.814 0.003 . 1 . . . . 20 G HN . 15737 1 235 . 1 1 20 20 GLY HA2 H 1 4.313 0.007 . 2 . . . . 20 G HA2 . 15737 1 236 . 1 1 20 20 GLY HA3 H 1 3.532 0.007 . 2 . . . . 20 G HA3 . 15737 1 237 . 1 1 20 20 GLY CA C 13 45.045 0.049 . 1 . . . . 20 G CA . 15737 1 238 . 1 1 20 20 GLY N N 15 112.434 0.086 . 1 . . . . 20 G N . 15737 1 239 . 1 1 21 21 ASP H H 1 7.933 0.005 . 1 . . . . 21 D HN . 15737 1 240 . 1 1 21 21 ASP HA H 1 4.499 0.007 . 1 . . . . 21 D HA . 15737 1 241 . 1 1 21 21 ASP HB2 H 1 2.799 0.005 . 2 . . . . 21 D HB2 . 15737 1 242 . 1 1 21 21 ASP HB3 H 1 2.547 0.008 . 2 . . . . 21 D HB3 . 15737 1 243 . 1 1 21 21 ASP CA C 13 55.383 0.092 . 1 . . . . 21 D CA . 15737 1 244 . 1 1 21 21 ASP CB C 13 41.067 0.144 . 1 . . . . 21 D CB . 15737 1 245 . 1 1 21 21 ASP N N 15 121.505 0.051 . 1 . . . . 21 D N . 15737 1 246 . 1 1 22 22 LYS H H 1 8.311 0.007 . 1 . . . . 22 K HN . 15737 1 247 . 1 1 22 22 LYS HA H 1 4.871 0.002 . 1 . . . . 22 K HA . 15737 1 248 . 1 1 22 22 LYS HB2 H 1 1.745 0.003 . 2 . . . . 22 K HB2 . 15737 1 249 . 1 1 22 22 LYS HB3 H 1 1.745 0.004 . 2 . . . . 22 K HB3 . 15737 1 250 . 1 1 22 22 LYS HD2 H 1 1.602 0.02 . 2 . . . . 22 K HD2 . 15737 1 251 . 1 1 22 22 LYS HD3 H 1 1.619 0.014 . 2 . . . . 22 K HD3 . 15737 1 252 . 1 1 22 22 LYS HE2 H 1 2.811 0.009 . 2 . . . . 22 K HE2 . 15737 1 253 . 1 1 22 22 LYS HE3 H 1 2.535 0.02 . 2 . . . . 22 K HE3 . 15737 1 254 . 1 1 22 22 LYS HG2 H 1 1.502 0.001 . 2 . . . . 22 K HG2 . 15737 1 255 . 1 1 22 22 LYS HG3 H 1 1.381 0.003 . 2 . . . . 22 K HG3 . 15737 1 256 . 1 1 22 22 LYS CA C 13 55.659 0.041 . 1 . . . . 22 K CA . 15737 1 257 . 1 1 22 22 LYS CB C 13 31.820 0.115 . 1 . . . . 22 K CB . 15737 1 258 . 1 1 22 22 LYS CD C 13 29.107 0.021 . 1 . . . . 22 K CD . 15737 1 259 . 1 1 22 22 LYS CE C 13 41.114 0.038 . 1 . . . . 22 K CE . 15737 1 260 . 1 1 22 22 LYS CG C 13 25.175 0.049 . 1 . . . . 22 K CG . 15737 1 261 . 1 1 22 22 LYS N N 15 120.225 0.072 . 1 . . . . 22 K N . 15737 1 262 . 1 1 23 23 VAL H H 1 8.935 0.007 . 1 . . . . 23 V HN . 15737 1 263 . 1 1 23 23 VAL HA H 1 4.841 0.002 . 1 . . . . 23 V HA . 15737 1 264 . 1 1 23 23 VAL HB H 1 1.635 0.003 . 1 . . . . 23 V HB . 15737 1 265 . 1 1 23 23 VAL HG11 H 1 0.585 0.007 . 2 . . . . 23 V HG1 . 15737 1 266 . 1 1 23 23 VAL HG12 H 1 0.585 0.007 . 2 . . . . 23 V HG1 . 15737 1 267 . 1 1 23 23 VAL HG13 H 1 0.585 0.007 . 2 . . . . 23 V HG1 . 15737 1 268 . 1 1 23 23 VAL HG21 H 1 0.482 0.003 . 2 . . . . 23 V HG2 . 15737 1 269 . 1 1 23 23 VAL HG22 H 1 0.482 0.003 . 2 . . . . 23 V HG2 . 15737 1 270 . 1 1 23 23 VAL HG23 H 1 0.482 0.003 . 2 . . . . 23 V HG2 . 15737 1 271 . 1 1 23 23 VAL CA C 13 58.502 0.034 . 1 . . . . 23 V CA . 15737 1 272 . 1 1 23 23 VAL CB C 13 34.507 0.089 . 1 . . . . 23 V CB . 15737 1 273 . 1 1 23 23 VAL CG1 C 13 22.058 0.2 . 2 . . . . 23 V CG1 . 15737 1 274 . 1 1 23 23 VAL CG2 C 13 18.197 0.2 . 2 . . . . 23 V CG2 . 15737 1 275 . 1 1 23 23 VAL N N 15 117.700 0.124 . 1 . . . . 23 V N . 15737 1 276 . 1 1 24 24 LYS H H 1 7.960 0.007 . 1 . . . . 24 K HN . 15737 1 277 . 1 1 24 24 LYS HA H 1 4.838 0.005 . 1 . . . . 24 K HA . 15737 1 278 . 1 1 24 24 LYS HB2 H 1 1.726 0.005 . 2 . . . . 24 K HB2 . 15737 1 279 . 1 1 24 24 LYS HB3 H 1 1.565 0.011 . 2 . . . . 24 K HB3 . 15737 1 280 . 1 1 24 24 LYS HD2 H 1 1.619 0.017 . 2 . . . . 24 K HD2 . 15737 1 281 . 1 1 24 24 LYS HD3 H 1 1.605 0.003 . 2 . . . . 24 K HD3 . 15737 1 282 . 1 1 24 24 LYS HE2 H 1 2.949 0.012 . 2 . . . . 24 K HE2 . 15737 1 283 . 1 1 24 24 LYS HE3 H 1 2.905 0.005 . 2 . . . . 24 K HE3 . 15737 1 284 . 1 1 24 24 LYS HG2 H 1 1.381 0.007 . 2 . . . . 24 K HG2 . 15737 1 285 . 1 1 24 24 LYS HG3 H 1 1.371 0.02 . 2 . . . . 24 K HG3 . 15737 1 286 . 1 1 24 24 LYS CA C 13 53.195 0.070 . 1 . . . . 24 K CA . 15737 1 287 . 1 1 24 24 LYS CB C 13 35.213 0.058 . 1 . . . . 24 K CB . 15737 1 288 . 1 1 24 24 LYS CD C 13 29.246 0.198 . 1 . . . . 24 K CD . 15737 1 289 . 1 1 24 24 LYS CE C 13 41.897 0.002 . 1 . . . . 24 K CE . 15737 1 290 . 1 1 24 24 LYS CG C 13 24.663 0.116 . 1 . . . . 24 K CG . 15737 1 291 . 1 1 24 24 LYS N N 15 121.958 0.023 . 1 . . . . 24 K N . 15737 1 292 . 1 1 25 25 LYS H H 1 8.915 0.006 . 1 . . . . 25 K HN . 15737 1 293 . 1 1 25 25 LYS HA H 1 3.156 0.011 . 1 . . . . 25 K HA . 15737 1 294 . 1 1 25 25 LYS HB2 H 1 1.670 0.011 . 2 . . . . 25 K HB2 . 15737 1 295 . 1 1 25 25 LYS HB3 H 1 1.531 0.007 . 2 . . . . 25 K HB3 . 15737 1 296 . 1 1 25 25 LYS HE2 H 1 2.689 0.02 . 2 . . . . 25 K HE2 . 15737 1 297 . 1 1 25 25 LYS HE3 H 1 2.651 0.004 . 2 . . . . 25 K HE3 . 15737 1 298 . 1 1 25 25 LYS HG2 H 1 1.130 0.009 . 2 . . . . 25 K HG2 . 15737 1 299 . 1 1 25 25 LYS HG3 H 1 1.093 0.013 . 2 . . . . 25 K HG3 . 15737 1 300 . 1 1 25 25 LYS CA C 13 58.648 0.016 . 1 . . . . 25 K CA . 15737 1 301 . 1 1 25 25 LYS CB C 13 32.648 0.069 . 1 . . . . 25 K CB . 15737 1 302 . 1 1 25 25 LYS CE C 13 41.073 0.228 . 1 . . . . 25 K CE . 15737 1 303 . 1 1 25 25 LYS CG C 13 24.512 0.056 . 1 . . . . 25 K CG . 15737 1 304 . 1 1 25 25 LYS N N 15 121.653 0.051 . 1 . . . . 25 K N . 15737 1 305 . 1 1 26 26 GLY H H 1 8.900 0.007 . 1 . . . . 26 G HN . 15737 1 306 . 1 1 26 26 GLY HA2 H 1 4.283 0.008 . 2 . . . . 26 G HA2 . 15737 1 307 . 1 1 26 26 GLY HA3 H 1 3.471 0.007 . 2 . . . . 26 G HA3 . 15737 1 308 . 1 1 26 26 GLY CA C 13 45.263 0.050 . 1 . . . . 26 G CA . 15737 1 309 . 1 1 26 26 GLY N N 15 115.268 0.034 . 1 . . . . 26 G N . 15737 1 310 . 1 1 27 27 GLN H H 1 8.433 0.002 . 1 . . . . 27 Q HN . 15737 1 311 . 1 1 27 27 GLN HA H 1 4.141 0.004 . 1 . . . . 27 Q HA . 15737 1 312 . 1 1 27 27 GLN HB2 H 1 2.306 0.008 . 2 . . . . 27 Q HB2 . 15737 1 313 . 1 1 27 27 GLN HB3 H 1 1.808 0.006 . 2 . . . . 27 Q HB3 . 15737 1 314 . 1 1 27 27 GLN HE21 H 1 7.938 0.010 . 2 . . . . 27 Q HE21 . 15737 1 315 . 1 1 27 27 GLN HE22 H 1 7.229 0.006 . 2 . . . . 27 Q HE22 . 15737 1 316 . 1 1 27 27 GLN HG2 H 1 2.360 0.006 . 2 . . . . 27 Q HG2 . 15737 1 317 . 1 1 27 27 GLN HG3 H 1 2.171 0.004 . 2 . . . . 27 Q HG3 . 15737 1 318 . 1 1 27 27 GLN CA C 13 56.324 0.064 . 1 . . . . 27 Q CA . 15737 1 319 . 1 1 27 27 GLN CB C 13 30.520 0.024 . 1 . . . . 27 Q CB . 15737 1 320 . 1 1 27 27 GLN CG C 13 32.871 0.013 . 1 . . . . 27 Q CG . 15737 1 321 . 1 1 27 27 GLN N N 15 123.155 0.028 . 1 . . . . 27 Q N . 15737 1 322 . 1 1 27 27 GLN NE2 N 15 112.223 0.030 . 1 . . . . 27 Q NE2 . 15737 1 323 . 1 1 28 28 THR H H 1 9.110 0.004 . 1 . . . . 28 T HN . 15737 1 324 . 1 1 28 28 THR HA H 1 3.893 0.003 . 1 . . . . 28 T HA . 15737 1 325 . 1 1 28 28 THR HB H 1 3.978 0.004 . 1 . . . . 28 T HB . 15737 1 326 . 1 1 28 28 THR HG21 H 1 1.067 0.007 . . . . . . 28 T HG2 . 15737 1 327 . 1 1 28 28 THR HG22 H 1 1.067 0.007 . . . . . . 28 T HG2 . 15737 1 328 . 1 1 28 28 THR HG23 H 1 1.067 0.007 . . . . . . 28 T HG2 . 15737 1 329 . 1 1 28 28 THR CA C 13 65.828 0.055 . 1 . . . . 28 T CA . 15737 1 330 . 1 1 28 28 THR CB C 13 68.581 0.172 . 1 . . . . 28 T CB . 15737 1 331 . 1 1 28 28 THR CG2 C 13 23.575 0.028 . 1 . . . . 28 T CG2 . 15737 1 332 . 1 1 28 28 THR N N 15 124.748 0.032 . 1 . . . . 28 T N . 15737 1 333 . 1 1 29 29 LEU H H 1 9.509 0.003 . 1 . . . . 29 L HN . 15737 1 334 . 1 1 29 29 LEU HA H 1 4.383 0.005 . 1 . . . . 29 L HA . 15737 1 335 . 1 1 29 29 LEU HB2 H 1 1.540 0.008 . 2 . . . . 29 L HB2 . 15737 1 336 . 1 1 29 29 LEU HB3 H 1 1.033 0.009 . 2 . . . . 29 L HB3 . 15737 1 337 . 1 1 29 29 LEU HD11 H 1 0.319 0.004 . 2 . . . . 29 L HD1 . 15737 1 338 . 1 1 29 29 LEU HD12 H 1 0.319 0.004 . 2 . . . . 29 L HD1 . 15737 1 339 . 1 1 29 29 LEU HD13 H 1 0.319 0.004 . 2 . . . . 29 L HD1 . 15737 1 340 . 1 1 29 29 LEU HD21 H 1 0.290 0.008 . 2 . . . . 29 L HD2 . 15737 1 341 . 1 1 29 29 LEU HD22 H 1 0.290 0.008 . 2 . . . . 29 L HD2 . 15737 1 342 . 1 1 29 29 LEU HD23 H 1 0.290 0.008 . 2 . . . . 29 L HD2 . 15737 1 343 . 1 1 29 29 LEU HG H 1 1.784 0.002 . 1 . . . . 29 L HG . 15737 1 344 . 1 1 29 29 LEU CA C 13 55.795 0.096 . 1 . . . . 29 L CA . 15737 1 345 . 1 1 29 29 LEU CB C 13 44.572 0.011 . 1 . . . . 29 L CB . 15737 1 346 . 1 1 29 29 LEU CD1 C 13 25.517 0.044 . 2 . . . . 29 L CD1 . 15737 1 347 . 1 1 29 29 LEU CD2 C 13 21.401 0.2 . 2 . . . . 29 L CD2 . 15737 1 348 . 1 1 29 29 LEU CG C 13 26.195 0.043 . 1 . . . . 29 L CG . 15737 1 349 . 1 1 29 29 LEU N N 15 125.873 0.090 . 1 . . . . 29 L N . 15737 1 350 . 1 1 30 30 PHE H H 1 7.579 0.006 . 1 . . . . 30 F HN . 15737 1 351 . 1 1 30 30 PHE HA H 1 5.367 0.003 . 1 . . . . 30 F HA . 15737 1 352 . 1 1 30 30 PHE HB2 H 1 3.071 0.002 . 2 . . . . 30 F HB2 . 15737 1 353 . 1 1 30 30 PHE HB3 H 1 2.441 0.003 . 2 . . . . 30 F HB3 . 15737 1 354 . 1 1 30 30 PHE HD1 H 1 7.142 0.001 . 3 . . . . 30 F HD . 15737 1 355 . 1 1 30 30 PHE HD2 H 1 7.142 0.001 . 3 . . . . 30 F HD . 15737 1 356 . 1 1 30 30 PHE HE1 H 1 7.037 0.002 . 3 . . . . 30 F HE . 15737 1 357 . 1 1 30 30 PHE HE2 H 1 7.037 0.002 . 3 . . . . 30 F HE . 15737 1 358 . 1 1 30 30 PHE HZ H 1 7.273 0.001 . 1 . . . . 30 F HZ . 15737 1 359 . 1 1 30 30 PHE CA C 13 55.486 0.026 . 1 . . . . 30 F CA . 15737 1 360 . 1 1 30 30 PHE CB C 13 44.887 0.043 . 1 . . . . 30 F CB . 15737 1 361 . 1 1 30 30 PHE N N 15 111.134 0.034 . 1 . . . . 30 F N . 15737 1 362 . 1 1 31 31 ILE H H 1 7.858 0.006 . 1 . . . . 31 I HN . 15737 1 363 . 1 1 31 31 ILE HA H 1 4.817 0.008 . 1 . . . . 31 I HA . 15737 1 364 . 1 1 31 31 ILE HB H 1 1.547 0.003 . 1 . . . . 31 I HB . 15737 1 365 . 1 1 31 31 ILE HD11 H 1 0.757 0.004 . 1 . . . . 31 I HD1 . 15737 1 366 . 1 1 31 31 ILE HD12 H 1 0.757 0.004 . 1 . . . . 31 I HD1 . 15737 1 367 . 1 1 31 31 ILE HD13 H 1 0.757 0.004 . 1 . . . . 31 I HD1 . 15737 1 368 . 1 1 31 31 ILE HG12 H 1 1.364 0.004 . 2 . . . . 31 I HG12 . 15737 1 369 . 1 1 31 31 ILE HG13 H 1 1.018 0.008 . 2 . . . . 31 I HG13 . 15737 1 370 . 1 1 31 31 ILE HG21 H 1 0.673 0.006 . 1 . . . . 31 I HG2 . 15737 1 371 . 1 1 31 31 ILE HG22 H 1 0.673 0.006 . 1 . . . . 31 I HG2 . 15737 1 372 . 1 1 31 31 ILE HG23 H 1 0.673 0.006 . 1 . . . . 31 I HG2 . 15737 1 373 . 1 1 31 31 ILE CA C 13 60.063 0.022 . 1 . . . . 31 I CA . 15737 1 374 . 1 1 31 31 ILE CB C 13 39.395 0.113 . 1 . . . . 31 I CB . 15737 1 375 . 1 1 31 31 ILE CD1 C 13 12.297 0.2 . 1 . . . . 31 I CD1 . 15737 1 376 . 1 1 31 31 ILE CG1 C 13 27.651 0.034 . 1 . . . . 31 I CG1 . 15737 1 377 . 1 1 31 31 ILE CG2 C 13 17.532 0.2 . 1 . . . . 31 I CG2 . 15737 1 378 . 1 1 31 31 ILE N N 15 119.416 0.068 . 1 . . . . 31 I N . 15737 1 379 . 1 1 32 32 ILE H H 1 9.107 0.004 . 1 . . . . 32 I HN . 15737 1 380 . 1 1 32 32 ILE HA H 1 4.842 0.004 . 1 . . . . 32 I HA . 15737 1 381 . 1 1 32 32 ILE HB H 1 1.264 0.004 . 1 . . . . 32 I HB . 15737 1 382 . 1 1 32 32 ILE HD11 H 1 0.389 0.004 . 1 . . . . 32 I HD1 . 15737 1 383 . 1 1 32 32 ILE HD12 H 1 0.389 0.004 . 1 . . . . 32 I HD1 . 15737 1 384 . 1 1 32 32 ILE HD13 H 1 0.389 0.004 . 1 . . . . 32 I HD1 . 15737 1 385 . 1 1 32 32 ILE HG12 H 1 1.203 0.008 . 2 . . . . 32 I HG12 . 15737 1 386 . 1 1 32 32 ILE HG13 H 1 0.598 0.007 . 2 . . . . 32 I HG13 . 15737 1 387 . 1 1 32 32 ILE HG21 H 1 0.358 0.007 . 1 . . . . 32 I HG2 . 15737 1 388 . 1 1 32 32 ILE HG22 H 1 0.358 0.007 . 1 . . . . 32 I HG2 . 15737 1 389 . 1 1 32 32 ILE HG23 H 1 0.358 0.007 . 1 . . . . 32 I HG2 . 15737 1 390 . 1 1 32 32 ILE CA C 13 59.002 0.079 . 1 . . . . 32 I CA . 15737 1 391 . 1 1 32 32 ILE CB C 13 42.048 0.146 . 1 . . . . 32 I CB . 15737 1 392 . 1 1 32 32 ILE CD1 C 13 14.857 0.2 . 1 . . . . 32 I CD1 . 15737 1 393 . 1 1 32 32 ILE CG1 C 13 28.695 0.131 . 1 . . . . 32 I CG1 . 15737 1 394 . 1 1 32 32 ILE CG2 C 13 16.301 0.2 . 1 . . . . 32 I CG2 . 15737 1 395 . 1 1 32 32 ILE N N 15 127.892 0.072 . 1 . . . . 32 I N . 15737 1 396 . 1 1 33 33 GLU H H 1 9.095 0.004 . 1 . . . . 33 E HN . 15737 1 397 . 1 1 33 33 GLU HA H 1 4.642 0.012 . 1 . . . . 33 E HA . 15737 1 398 . 1 1 33 33 GLU HB2 H 1 2.001 0.002 . 2 . . . . 33 E HB2 . 15737 1 399 . 1 1 33 33 GLU HB3 H 1 1.742 0.005 . 2 . . . . 33 E HB3 . 15737 1 400 . 1 1 33 33 GLU HG2 H 1 2.072 0.007 . 2 . . . . 33 E QG . 15737 1 401 . 1 1 33 33 GLU HG3 H 1 2.072 0.007 . 2 . . . . 33 E QG . 15737 1 402 . 1 1 33 33 GLU CA C 13 54.985 0.040 . 1 . . . . 33 E CA . 15737 1 403 . 1 1 33 33 GLU CB C 13 31.672 0.144 . 1 . . . . 33 E CB . 15737 1 404 . 1 1 33 33 GLU CG C 13 37.018 0.054 . 1 . . . . 33 E CG . 15737 1 405 . 1 1 33 33 GLU N N 15 128.157 0.053 . 1 . . . . 33 E N . 15737 1 406 . 1 1 34 34 GLN H H 1 8.725 0.006 . 1 . . . . 34 Q HN . 15737 1 407 . 1 1 34 34 GLN HA H 1 4.354 0.003 . 1 . . . . 34 Q HA . 15737 1 408 . 1 1 34 34 GLN HB2 H 1 2.052 0.007 . 2 . . . . 34 Q HB2 . 15737 1 409 . 1 1 34 34 GLN HB3 H 1 1.957 0.013 . 2 . . . . 34 Q HB3 . 15737 1 410 . 1 1 34 34 GLN HE21 H 1 7.472 0.003 . 2 . . . . 34 Q HE21 . 15737 1 411 . 1 1 34 34 GLN HE22 H 1 6.810 0.009 . 2 . . . . 34 Q HE22 . 15737 1 412 . 1 1 34 34 GLN HG2 H 1 2.306 0.003 . 2 . . . . 34 Q QG . 15737 1 413 . 1 1 34 34 GLN HG3 H 1 2.306 0.003 . 2 . . . . 34 Q QG . 15737 1 414 . 1 1 34 34 GLN CA C 13 56.807 0.057 . 1 . . . . 34 Q CA . 15737 1 415 . 1 1 34 34 GLN CB C 13 30.119 0.055 . 1 . . . . 34 Q CB . 15737 1 416 . 1 1 34 34 GLN CG C 13 34.266 0.078 . 1 . . . . 34 Q CG . 15737 1 417 . 1 1 34 34 GLN N N 15 128.123 0.039 . 1 . . . . 34 Q N . 15737 1 418 . 1 1 34 34 GLN NE2 N 15 111.359 0.022 . 1 . . . . 34 Q NE2 . 15737 1 419 . 1 1 35 35 ASP H H 1 8.524 0.007 . 1 . . . . 35 D HN . 15737 1 420 . 1 1 35 35 ASP HA H 1 4.609 0.016 . 1 . . . . 35 D HA . 15737 1 421 . 1 1 35 35 ASP HB2 H 1 2.671 0.006 . 2 . . . . 35 D HB2 . 15737 1 422 . 1 1 35 35 ASP HB3 H 1 2.638 0.020 . 2 . . . . 35 D HB3 . 15737 1 423 . 1 1 35 35 ASP CA C 13 54.226 0.017 . 1 . . . . 35 D CA . 15737 1 424 . 1 1 35 35 ASP CB C 13 41.429 0.130 . 1 . . . . 35 D CB . 15737 1 425 . 1 1 35 35 ASP N N 15 122.485 0.042 . 1 . . . . 35 D N . 15737 1 426 . 1 1 36 36 GLN H H 1 8.576 0.005 . 1 . . . . 36 Q HN . 15737 1 427 . 1 1 36 36 GLN HA H 1 4.041 0.007 . 1 . . . . 36 Q HA . 15737 1 428 . 1 1 36 36 GLN HB2 H 1 2.059 0.005 . 2 . . . . 36 Q HB2 . 15737 1 429 . 1 1 36 36 GLN HB3 H 1 1.878 0.004 . 2 . . . . 36 Q HB3 . 15737 1 430 . 1 1 36 36 GLN HE21 H 1 7.593 0.005 . 2 . . . . 36 Q HE21 . 15737 1 431 . 1 1 36 36 GLN HE22 H 1 6.815 0.003 . 2 . . . . 36 Q HE22 . 15737 1 432 . 1 1 36 36 GLN HG2 H 1 2.304 0.010 . 2 . . . . 36 Q HG2 . 15737 1 433 . 1 1 36 36 GLN HG3 H 1 2.219 0.009 . 2 . . . . 36 Q HG3 . 15737 1 434 . 1 1 36 36 GLN CA C 13 56.662 0.020 . 1 . . . . 36 Q CA . 15737 1 435 . 1 1 36 36 GLN CB C 13 29.166 0.104 . 1 . . . . 36 Q CB . 15737 1 436 . 1 1 36 36 GLN CG C 13 33.825 0.059 . 1 . . . . 36 Q CG . 15737 1 437 . 1 1 36 36 GLN N N 15 123.321 0.066 . 1 . . . . 36 Q N . 15737 1 438 . 1 1 36 36 GLN NE2 N 15 112.676 0.025 . 1 . . . . 36 Q NE2 . 15737 1 439 . 1 1 37 37 ALA H H 1 8.322 0.004 . 1 . . . . 37 A HN . 15737 1 440 . 1 1 37 37 ALA HA H 1 4.232 0.007 . 1 . . . . 37 A HA . 15737 1 441 . 1 1 37 37 ALA HB1 H 1 1.361 0.008 . 1 . . . . 37 A HB . 15737 1 442 . 1 1 37 37 ALA HB2 H 1 1.361 0.008 . 1 . . . . 37 A HB . 15737 1 443 . 1 1 37 37 ALA HB3 H 1 1.361 0.008 . 1 . . . . 37 A HB . 15737 1 444 . 1 1 37 37 ALA CA C 13 53.231 0.101 . 1 . . . . 37 A CA . 15737 1 445 . 1 1 37 37 ALA CB C 13 19.020 0.2 . 1 . . . . 37 A CB . 15737 1 446 . 1 1 37 37 ALA N N 15 123.086 0.054 . 1 . . . . 37 A N . 15737 1 447 . 1 1 38 38 SER H H 1 7.919 0.006 . 1 . . . . 38 S HN . 15737 1 448 . 1 1 38 38 SER HA H 1 4.283 0.019 . 1 . . . . 38 S HA . 15737 1 449 . 1 1 38 38 SER HB2 H 1 3.932 0.003 . 2 . . . . 38 S HB2 . 15737 1 450 . 1 1 38 38 SER HB3 H 1 3.833 0.007 . 2 . . . . 38 S HB3 . 15737 1 451 . 1 1 38 38 SER CA C 13 58.884 0.056 . 1 . . . . 38 S CA . 15737 1 452 . 1 1 38 38 SER CB C 13 63.835 0.006 . 1 . . . . 38 S CB . 15737 1 453 . 1 1 38 38 SER N N 15 113.578 0.076 . 1 . . . . 38 S N . 15737 1 454 . 1 1 39 39 LYS H H 1 8.153 0.008 . 1 . . . . 39 K HN . 15737 1 455 . 1 1 39 39 LYS HA H 1 4.140 0.011 . 1 . . . . 39 K HA . 15737 1 456 . 1 1 39 39 LYS HB2 H 1 1.713 0.007 . 2 . . . . 39 K HB2 . 15737 1 457 . 1 1 39 39 LYS HD2 H 1 1.600 0.004 . 2 . . . . 39 K HD . 15737 1 458 . 1 1 39 39 LYS HD3 H 1 1.600 0.004 . 2 . . . . 39 K HD . 15737 1 459 . 1 1 39 39 LYS HE2 H 1 2.905 0.020 . 2 . . . . 39 K HE2 . 15737 1 460 . 1 1 39 39 LYS HE3 H 1 2.883 0.02 . 2 . . . . 39 K HE3 . 15737 1 461 . 1 1 39 39 LYS HG2 H 1 1.352 0.003 . 2 . . . . 39 K HG2 . 15737 1 462 . 1 1 39 39 LYS HG3 H 1 1.302 0.012 . 2 . . . . 39 K HG3 . 15737 1 463 . 1 1 39 39 LYS CA C 13 57.127 0.113 . 1 . . . . 39 K CA . 15737 1 464 . 1 1 39 39 LYS CB C 13 32.812 0.108 . 1 . . . . 39 K CB . 15737 1 465 . 1 1 39 39 LYS CD C 13 29.148 0.012 . 1 . . . . 39 K CD . 15737 1 466 . 1 1 39 39 LYS CE C 13 42.347 0.013 . 1 . . . . 39 K CE . 15737 1 467 . 1 1 39 39 LYS CG C 13 24.728 0.067 . 1 . . . . 39 K CG . 15737 1 468 . 1 1 39 39 LYS N N 15 122.651 0.084 . 1 . . . . 39 K N . 15737 1 469 . 1 1 40 40 ASP H H 1 8.100 0.007 . 1 . . . . 40 D HN . 15737 1 470 . 1 1 40 40 ASP HA H 1 4.532 0.005 . 1 . . . . 40 D HA . 15737 1 471 . 1 1 40 40 ASP HB2 H 1 2.644 0.009 . 2 . . . . 40 D HB2 . 15737 1 472 . 1 1 40 40 ASP HB3 H 1 2.505 0.003 . 2 . . . . 40 D HB3 . 15737 1 473 . 1 1 40 40 ASP CA C 13 54.376 0.131 . 1 . . . . 40 D CA . 15737 1 474 . 1 1 40 40 ASP CB C 13 41.245 0.139 . 1 . . . . 40 D CB . 15737 1 475 . 1 1 40 40 ASP N N 15 119.441 0.031 . 1 . . . . 40 D N . 15737 1 476 . 1 1 41 41 PHE H H 1 7.924 0.005 . 1 . . . . 41 F HN . 15737 1 477 . 1 1 41 41 PHE HA H 1 4.384 0.007 . 1 . . . . 41 F HA . 15737 1 478 . 1 1 41 41 PHE HB2 H 1 3.034 0.012 . 2 . . . . 41 F HB . 15737 1 479 . 1 1 41 41 PHE HB3 H 1 3.034 0.012 . 2 . . . . 41 F HB . 15737 1 480 . 1 1 41 41 PHE HD1 H 1 7.173 0.009 . 3 . . . . 41 F HD . 15737 1 481 . 1 1 41 41 PHE HD2 H 1 7.173 0.009 . 3 . . . . 41 F HD . 15737 1 482 . 1 1 41 41 PHE HE1 H 1 7.271 0.002 . 3 . . . . 41 F HE . 15737 1 483 . 1 1 41 41 PHE HE2 H 1 7.271 0.002 . 3 . . . . 41 F HE . 15737 1 484 . 1 1 41 41 PHE CA C 13 58.704 0.080 . 1 . . . . 41 F CA . 15737 1 485 . 1 1 41 41 PHE CB C 13 39.397 0.133 . 1 . . . . 41 F CB . 15737 1 486 . 1 1 41 41 PHE N N 15 121.124 0.119 . 1 . . . . 41 F N . 15737 1 487 . 1 1 42 42 ASN H H 1 8.311 0.005 . 1 . . . . 42 N HN . 15737 1 488 . 1 1 42 42 ASN HA H 1 4.523 0.006 . 1 . . . . 42 N HA . 15737 1 489 . 1 1 42 42 ASN HB2 H 1 2.777 0.008 . 2 . . . . 42 N HB2 . 15737 1 490 . 1 1 42 42 ASN HB3 H 1 2.615 0.008 . 2 . . . . 42 N HB3 . 15737 1 491 . 1 1 42 42 ASN HD21 H 1 8.732 0.003 . 2 . . . . 42 N HD21 . 15737 1 492 . 1 1 42 42 ASN CA C 13 53.133 0.077 . 1 . . . . 42 N CA . 15737 1 493 . 1 1 42 42 ASN CB C 13 38.801 0.147 . 1 . . . . 42 N CB . 15737 1 494 . 1 1 42 42 ASN N N 15 120.181 0.100 . 1 . . . . 42 N N . 15737 1 495 . 1 1 42 42 ASN ND2 N 15 130.750 0.054 . 1 . . . . 42 N ND2 . 15737 1 496 . 1 1 43 43 ARG H H 1 8.133 0.012 . 1 . . . . 43 R HN . 15737 1 497 . 1 1 43 43 ARG HA H 1 4.115 0.012 . 1 . . . . 43 R HA . 15737 1 498 . 1 1 43 43 ARG HB2 H 1 1.829 0.007 . 2 . . . . 43 R HB2 . 15737 1 499 . 1 1 43 43 ARG HB3 H 1 1.729 0.002 . 2 . . . . 43 R HB3 . 15737 1 500 . 1 1 43 43 ARG HD2 H 1 3.119 0.003 . 2 . . . . 43 R HD . 15737 1 501 . 1 1 43 43 ARG HD3 H 1 3.119 0.003 . 2 . . . . 43 R HD . 15737 1 502 . 1 1 43 43 ARG HG2 H 1 1.589 0.009 . 2 . . . . 43 R HG2 . 15737 1 503 . 1 1 43 43 ARG HG3 H 1 1.555 0.006 . 2 . . . . 43 R HG3 . 15737 1 504 . 1 1 43 43 ARG CA C 13 57.051 0.046 . 1 . . . . 43 R CA . 15737 1 505 . 1 1 43 43 ARG CB C 13 30.514 0.065 . 1 . . . . 43 R CB . 15737 1 506 . 1 1 43 43 ARG CD C 13 43.418 0.003 . 1 . . . . 43 R CD . 15737 1 507 . 1 1 43 43 ARG CG C 13 27.471 0.072 . 1 . . . . 43 R CG . 15737 1 508 . 1 1 43 43 ARG N N 15 121.727 0.058 . 1 . . . . 43 R N . 15737 1 509 . 1 1 44 44 SER H H 1 8.174 0.009 . 1 . . . . 44 S HN . 15737 1 510 . 1 1 44 44 SER HA H 1 4.286 0.006 . 1 . . . . 44 S HA . 15737 1 511 . 1 1 44 44 SER HB2 H 1 3.825 0.007 . 2 . . . . 44 S HB . 15737 1 512 . 1 1 44 44 SER HB3 H 1 3.825 0.007 . 2 . . . . 44 S HB . 15737 1 513 . 1 1 44 44 SER CA C 13 59.344 0.255 . 1 . . . . 44 S CA . 15737 1 514 . 1 1 44 44 SER CB C 13 63.357 0.177 . 1 . . . . 44 S CB . 15737 1 515 . 1 1 44 44 SER N N 15 115.718 0.059 . 1 . . . . 44 S N . 15737 1 516 . 1 1 45 45 LYS H H 1 7.963 0.005 . 1 . . . . 45 K HN . 15737 1 517 . 1 1 45 45 LYS HA H 1 4.123 0.006 . 1 . . . . 45 K HA . 15737 1 518 . 1 1 45 45 LYS HB2 H 1 1.746 0.007 . 2 . . . . 45 K HB2 . 15737 1 519 . 1 1 45 45 LYS HB3 H 1 1.640 0.015 . 2 . . . . 45 K HB3 . 15737 1 520 . 1 1 45 45 LYS HD2 H 1 1.607 0.002 . 2 . . . . 45 K HD . 15737 1 521 . 1 1 45 45 LYS HD3 H 1 1.607 0.002 . 2 . . . . 45 K HD . 15737 1 522 . 1 1 45 45 LYS HE2 H 1 2.927 0.021 . 2 . . . . 45 K HE . 15737 1 523 . 1 1 45 45 LYS HE3 H 1 2.927 0.021 . 2 . . . . 45 K HE . 15737 1 524 . 1 1 45 45 LYS HG2 H 1 1.353 0.014 . 2 . . . . 45 K HG2 . 15737 1 525 . 1 1 45 45 LYS HG3 H 1 1.305 0.002 . 2 . . . . 45 K HG3 . 15737 1 526 . 1 1 45 45 LYS CA C 13 56.866 0.372 . 1 . . . . 45 K CA . 15737 1 527 . 1 1 45 45 LYS CB C 13 32.777 0.040 . 1 . . . . 45 K CB . 15737 1 528 . 1 1 45 45 LYS CE C 13 42.223 0.2 . 1 . . . . 45 K CE . 15737 1 529 . 1 1 45 45 LYS CG C 13 24.815 0.105 . 1 . . . . 45 K CG . 15737 1 530 . 1 1 45 45 LYS N N 15 122.326 0.078 . 1 . . . . 45 K N . 15737 1 531 . 1 1 46 46 ALA H H 1 7.965 0.004 . 1 . . . . 46 A HN . 15737 1 532 . 1 1 46 46 ALA HA H 1 4.165 0.008 . 1 . . . . 46 A HA . 15737 1 533 . 1 1 46 46 ALA HB1 H 1 1.284 0.006 . 1 . . . . 46 A HB . 15737 1 534 . 1 1 46 46 ALA HB2 H 1 1.284 0.006 . 1 . . . . 46 A HB . 15737 1 535 . 1 1 46 46 ALA HB3 H 1 1.284 0.006 . 1 . . . . 46 A HB . 15737 1 536 . 1 1 46 46 ALA CA C 13 52.999 0.046 . 1 . . . . 46 A CA . 15737 1 537 . 1 1 46 46 ALA CB C 13 18.944 0.240 . 1 . . . . 46 A CB . 15737 1 538 . 1 1 46 46 ALA N N 15 123.536 0.075 . 1 . . . . 46 A N . 15737 1 539 . 1 1 47 47 LEU H H 1 7.898 0.003 . 1 . . . . 47 L HN . 15737 1 540 . 1 1 47 47 LEU HA H 1 4.158 0.010 . 1 . . . . 47 L HA . 15737 1 541 . 1 1 47 47 LEU HB2 H 1 1.476 0.006 . 2 . . . . 47 L HB2 . 15737 1 542 . 1 1 47 47 LEU HB3 H 1 1.341 0.004 . 2 . . . . 47 L HB3 . 15737 1 543 . 1 1 47 47 LEU HD11 H 1 0.808 0.011 . 2 . . . . 47 L HD1 . 15737 1 544 . 1 1 47 47 LEU HD12 H 1 0.808 0.011 . 2 . . . . 47 L HD1 . 15737 1 545 . 1 1 47 47 LEU HD13 H 1 0.808 0.011 . 2 . . . . 47 L HD1 . 15737 1 546 . 1 1 47 47 LEU HD21 H 1 0.750 0.013 . 2 . . . . 47 L HD2 . 15737 1 547 . 1 1 47 47 LEU HD22 H 1 0.750 0.013 . 2 . . . . 47 L HD2 . 15737 1 548 . 1 1 47 47 LEU HD23 H 1 0.750 0.013 . 2 . . . . 47 L HD2 . 15737 1 549 . 1 1 47 47 LEU HG H 1 1.477 0.006 . 1 . . . . 47 L HG . 15737 1 550 . 1 1 47 47 LEU CA C 13 55.583 0.085 . 1 . . . . 47 L CA . 15737 1 551 . 1 1 47 47 LEU CB C 13 42.404 0.074 . 1 . . . . 47 L CB . 15737 1 552 . 1 1 47 47 LEU CD1 C 13 24.977 0.168 . 2 . . . . 47 L CD1 . 15737 1 553 . 1 1 47 47 LEU CD2 C 13 23.458 0.040 . 2 . . . . 47 L CD2 . 15737 1 554 . 1 1 47 47 LEU CG C 13 27.107 0.078 . 1 . . . . 47 L CG . 15737 1 555 . 1 1 47 47 LEU N N 15 119.914 0.056 . 1 . . . . 47 L N . 15737 1 556 . 1 1 48 48 PHE H H 1 7.981 0.004 . 1 . . . . 48 F HN . 15737 1 557 . 1 1 48 48 PHE HA H 1 4.539 0.009 . 1 . . . . 48 F HA . 15737 1 558 . 1 1 48 48 PHE HB2 H 1 3.106 0.005 . 2 . . . . 48 F HB2 . 15737 1 559 . 1 1 48 48 PHE HB3 H 1 2.973 0.003 . 2 . . . . 48 F HB3 . 15737 1 560 . 1 1 48 48 PHE HD1 H 1 7.166 0.006 . 3 . . . . 48 F HD . 15737 1 561 . 1 1 48 48 PHE HD2 H 1 7.166 0.006 . 3 . . . . 48 F HD . 15737 1 562 . 1 1 48 48 PHE HE1 H 1 7.263 0.02 . 3 . . . . 48 F HE . 15737 1 563 . 1 1 48 48 PHE HE2 H 1 7.263 0.02 . 3 . . . . 48 F HE . 15737 1 564 . 1 1 48 48 PHE CA C 13 58.033 0.025 . 1 . . . . 48 F CA . 15737 1 565 . 1 1 48 48 PHE CB C 13 39.470 0.083 . 1 . . . . 48 F CB . 15737 1 566 . 1 1 48 48 PHE N N 15 119.602 0.037 . 1 . . . . 48 F N . 15737 1 567 . 1 1 49 49 SER H H 1 8.028 0.007 . 1 . . . . 49 S HN . 15737 1 568 . 1 1 49 49 SER HA H 1 4.332 0.004 . 1 . . . . 49 S HA . 15737 1 569 . 1 1 49 49 SER HB2 H 1 3.808 0.007 . 2 . . . . 49 S HB2 . 15737 1 570 . 1 1 49 49 SER HB3 H 1 3.769 0.007 . 2 . . . . 49 S HB3 . 15737 1 571 . 1 1 49 49 SER CA C 13 58.581 0.039 . 1 . . . . 49 S CA . 15737 1 572 . 1 1 49 49 SER CB C 13 63.866 0.035 . 1 . . . . 49 S CB . 15737 1 573 . 1 1 49 49 SER N N 15 116.270 0.191 . 1 . . . . 49 S N . 15737 1 574 . 1 1 50 50 GLN H H 1 8.266 0.009 . 1 . . . . 50 Q HN . 15737 1 575 . 1 1 50 50 GLN HA H 1 4.257 0.006 . 1 . . . . 50 Q HA . 15737 1 576 . 1 1 50 50 GLN HB2 H 1 2.109 0.004 . 2 . . . . 50 Q HB2 . 15737 1 577 . 1 1 50 50 GLN HB3 H 1 1.958 0.02 . 2 . . . . 50 Q HB3 . 15737 1 578 . 1 1 50 50 GLN HE21 H 1 7.455 0.002 . 2 . . . . 50 Q HE21 . 15737 1 579 . 1 1 50 50 GLN HE22 H 1 6.791 0.003 . 2 . . . . 50 Q HE22 . 15737 1 580 . 1 1 50 50 GLN HG2 H 1 2.319 0.007 . 2 . . . . 50 Q QG . 15737 1 581 . 1 1 50 50 GLN HG3 H 1 2.319 0.007 . 2 . . . . 50 Q QG . 15737 1 582 . 1 1 50 50 GLN CA C 13 56.435 0.021 . 1 . . . . 50 Q CA . 15737 1 583 . 1 1 50 50 GLN CB C 13 29.204 0.2 . 1 . . . . 50 Q CB . 15737 1 584 . 1 1 50 50 GLN CG C 13 34.095 0.171 . 1 . . . . 50 Q CG . 15737 1 585 . 1 1 50 50 GLN N N 15 121.931 0.082 . 1 . . . . 50 Q N . 15737 1 586 . 1 1 50 50 GLN NE2 N 15 112.171 0.044 . 1 . . . . 50 Q NE2 . 15737 1 587 . 1 1 51 51 SER H H 1 8.147 0.009 . 1 . . . . 51 S HN . 15737 1 588 . 1 1 51 51 SER HA H 1 4.338 0.003 . 1 . . . . 51 S HA . 15737 1 589 . 1 1 51 51 SER HB2 H 1 3.814 0.009 . 2 . . . . 51 S HB . 15737 1 590 . 1 1 51 51 SER HB3 H 1 3.814 0.009 . 2 . . . . 51 S HB . 15737 1 591 . 1 1 51 51 SER CA C 13 58.645 0.165 . 1 . . . . 51 S CA . 15737 1 592 . 1 1 51 51 SER CB C 13 63.784 0.031 . 1 . . . . 51 S CB . 15737 1 593 . 1 1 51 51 SER N N 15 115.676 0.034 . 1 . . . . 51 S N . 15737 1 594 . 1 1 52 52 ALA H H 1 8.175 0.006 . 1 . . . . 52 A HN . 15737 1 595 . 1 1 52 52 ALA HA H 1 4.265 0.003 . 1 . . . . 52 A HA . 15737 1 596 . 1 1 52 52 ALA HB1 H 1 1.336 0.010 . 1 . . . . 52 A HB . 15737 1 597 . 1 1 52 52 ALA HB2 H 1 1.336 0.010 . 1 . . . . 52 A HB . 15737 1 598 . 1 1 52 52 ALA HB3 H 1 1.336 0.010 . 1 . . . . 52 A HB . 15737 1 599 . 1 1 52 52 ALA CA C 13 53.031 0.051 . 1 . . . . 52 A CA . 15737 1 600 . 1 1 52 52 ALA CB C 13 18.941 0.187 . 1 . . . . 52 A CB . 15737 1 601 . 1 1 52 52 ALA N N 15 125.360 0.051 . 1 . . . . 52 A N . 15737 1 602 . 1 1 53 53 ILE H H 1 7.870 0.003 . 1 . . . . 53 I HN . 15737 1 603 . 1 1 53 53 ILE HA H 1 4.099 0.002 . 1 . . . . 53 I HA . 15737 1 604 . 1 1 53 53 ILE HB H 1 1.818 0.002 . 1 . . . . 53 I HB . 15737 1 605 . 1 1 53 53 ILE HD11 H 1 0.793 0.007 . 1 . . . . 53 I HD1 . 15737 1 606 . 1 1 53 53 ILE HD12 H 1 0.793 0.007 . 1 . . . . 53 I HD1 . 15737 1 607 . 1 1 53 53 ILE HD13 H 1 0.793 0.007 . 1 . . . . 53 I HD1 . 15737 1 608 . 1 1 53 53 ILE HG12 H 1 1.400 0.005 . 2 . . . . 53 I HG12 . 15737 1 609 . 1 1 53 53 ILE HG13 H 1 1.124 0.005 . 2 . . . . 53 I HG13 . 15737 1 610 . 1 1 53 53 ILE HG21 H 1 0.838 0.004 . 1 . . . . 53 I HG2 . 15737 1 611 . 1 1 53 53 ILE HG22 H 1 0.838 0.004 . 1 . . . . 53 I HG2 . 15737 1 612 . 1 1 53 53 ILE HG23 H 1 0.838 0.004 . 1 . . . . 53 I HG2 . 15737 1 613 . 1 1 53 53 ILE CA C 13 61.558 0.027 . 1 . . . . 53 I CA . 15737 1 614 . 1 1 53 53 ILE CB C 13 38.851 0.083 . 1 . . . . 53 I CB . 15737 1 615 . 1 1 53 53 ILE CD1 C 13 13.253 0.2 . 1 . . . . 53 I CD1 . 15737 1 616 . 1 1 53 53 ILE CG1 C 13 27.419 0.042 . 1 . . . . 53 I CG1 . 15737 1 617 . 1 1 53 53 ILE CG2 C 13 17.718 0.2 . 1 . . . . 53 I CG2 . 15737 1 618 . 1 1 53 53 ILE N N 15 118.231 0.049 . 1 . . . . 53 I N . 15737 1 619 . 1 1 54 54 SER H H 1 8.159 0.006 . 1 . . . . 54 S HN . 15737 1 620 . 1 1 54 54 SER HA H 1 4.384 0.004 . 1 . . . . 54 S HA . 15737 1 621 . 1 1 54 54 SER HB2 H 1 3.868 0.007 . 2 . . . . 54 S HB2 . 15737 1 622 . 1 1 54 54 SER HB3 H 1 3.825 0.010 . 2 . . . . 54 S HB3 . 15737 1 623 . 1 1 54 54 SER CA C 13 58.551 0.009 . 1 . . . . 54 S CA . 15737 1 624 . 1 1 54 54 SER CB C 13 63.964 0.021 . 1 . . . . 54 S CB . 15737 1 625 . 1 1 54 54 SER N N 15 118.588 0.052 . 1 . . . . 54 S N . 15737 1 626 . 1 1 55 55 GLN H H 1 8.301 0.010 . 1 . . . . 55 Q HN . 15737 1 627 . 1 1 55 55 GLN HA H 1 4.214 0.008 . 1 . . . . 55 Q HA . 15737 1 628 . 1 1 55 55 GLN HB2 H 1 2.072 0.008 . 2 . . . . 55 Q HB2 . 15737 1 629 . 1 1 55 55 GLN HB3 H 1 1.960 0.003 . 2 . . . . 55 Q HB3 . 15737 1 630 . 1 1 55 55 GLN HE21 H 1 7.531 0.010 . 2 . . . . 55 Q HE21 . 15737 1 631 . 1 1 55 55 GLN HE22 H 1 6.751 0.009 . 2 . . . . 55 Q HE22 . 15737 1 632 . 1 1 55 55 GLN HG2 H 1 2.308 0.004 . 2 . . . . 55 Q QG . 15737 1 633 . 1 1 55 55 GLN HG3 H 1 2.308 0.004 . 2 . . . . 55 Q QG . 15737 1 634 . 1 1 55 55 GLN CA C 13 56.547 0.055 . 1 . . . . 55 Q CA . 15737 1 635 . 1 1 55 55 GLN CB C 13 29.292 0.057 . 1 . . . . 55 Q CB . 15737 1 636 . 1 1 55 55 GLN CG C 13 33.928 0.044 . 1 . . . . 55 Q CG . 15737 1 637 . 1 1 55 55 GLN N N 15 122.173 0.102 . 1 . . . . 55 Q N . 15737 1 638 . 1 1 55 55 GLN NE2 N 15 112.563 0.011 . 1 . . . . 55 Q NE2 . 15737 1 639 . 1 1 56 56 LYS H H 1 8.163 0.003 . 1 . . . . 56 K HN . 15737 1 640 . 1 1 56 56 LYS HA H 1 4.177 0.006 . 1 . . . . 56 K HA . 15737 1 641 . 1 1 56 56 LYS HB2 H 1 1.702 0.003 . 2 . . . . 56 K HB . 15737 1 642 . 1 1 56 56 LYS HB3 H 1 1.702 0.003 . 2 . . . . 56 K HB . 15737 1 643 . 1 1 56 56 LYS HE2 H 1 2.926 0.009 . 2 . . . . 56 K HE . 15737 1 644 . 1 1 56 56 LYS HE3 H 1 2.926 0.009 . 2 . . . . 56 K HE . 15737 1 645 . 1 1 56 56 LYS HG2 H 1 1.348 0.011 . 2 . . . . 56 K QG . 15737 1 646 . 1 1 56 56 LYS HG3 H 1 1.348 0.011 . 2 . . . . 56 K QG . 15737 1 647 . 1 1 56 56 LYS CA C 13 56.978 0.258 . 1 . . . . 56 K CA . 15737 1 648 . 1 1 56 56 LYS CB C 13 32.855 0.045 . 1 . . . . 56 K CB . 15737 1 649 . 1 1 56 56 LYS CE C 13 42.213 0.2 . 1 . . . . 56 K CE . 15737 1 650 . 1 1 56 56 LYS CG C 13 24.844 0.038 . 1 . . . . 56 K CG . 15737 1 651 . 1 1 56 56 LYS N N 15 121.126 0.055 . 1 . . . . 56 K N . 15737 1 652 . 1 1 57 57 GLU H H 1 8.211 0.005 . 1 . . . . 57 E HN . 15737 1 653 . 1 1 57 57 GLU HA H 1 4.151 0.008 . 1 . . . . 57 E HA . 15737 1 654 . 1 1 57 57 GLU HB2 H 1 1.916 0.012 . 2 . . . . 57 E HB2 . 15737 1 655 . 1 1 57 57 GLU HB3 H 1 1.857 0.006 . 2 . . . . 57 E HB3 . 15737 1 656 . 1 1 57 57 GLU HG2 H 1 2.153 0.003 . 2 . . . . 57 E HG2 . 15737 1 657 . 1 1 57 57 GLU HG3 H 1 2.130 0.006 . 2 . . . . 57 E HG3 . 15737 1 658 . 1 1 57 57 GLU CA C 13 57.058 0.136 . 1 . . . . 57 E CA . 15737 1 659 . 1 1 57 57 GLU CB C 13 30.211 0.042 . 1 . . . . 57 E CB . 15737 1 660 . 1 1 57 57 GLU CG C 13 36.478 0.051 . 1 . . . . 57 E CG . 15737 1 661 . 1 1 57 57 GLU N N 15 120.615 0.073 . 1 . . . . 57 E N . 15737 1 662 . 1 1 58 58 TYR H H 1 8.070 0.004 . 1 . . . . 58 Y HN . 15737 1 663 . 1 1 58 58 TYR HA H 1 4.375 0.007 . 1 . . . . 58 Y HA . 15737 1 664 . 1 1 58 58 TYR HB2 H 1 2.948 0.005 . 2 . . . . 58 Y HB2 . 15737 1 665 . 1 1 58 58 TYR HB3 H 1 2.901 0.003 . 2 . . . . 58 Y HB3 . 15737 1 666 . 1 1 58 58 TYR HD1 H 1 7.006 0.007 . 3 . . . . 58 Y HD . 15737 1 667 . 1 1 58 58 TYR HD2 H 1 7.006 0.007 . 3 . . . . 58 Y HD . 15737 1 668 . 1 1 58 58 TYR HE1 H 1 6.711 0.007 . 3 . . . . 58 Y HE . 15737 1 669 . 1 1 58 58 TYR HE2 H 1 6.711 0.007 . 3 . . . . 58 Y HE . 15737 1 670 . 1 1 58 58 TYR CA C 13 58.570 0.022 . 1 . . . . 58 Y CA . 15737 1 671 . 1 1 58 58 TYR CB C 13 38.962 0.066 . 1 . . . . 58 Y CB . 15737 1 672 . 1 1 58 58 TYR N N 15 120.822 0.096 . 1 . . . . 58 Y N . 15737 1 673 . 1 1 59 59 ASP H H 1 8.146 0.005 . 1 . . . . 59 D HN . 15737 1 674 . 1 1 59 59 ASP HA H 1 4.492 0.02 . 1 . . . . 59 D HA . 15737 1 675 . 1 1 59 59 ASP HB2 H 1 2.645 0.02 . 2 . . . . 59 D HB2 . 15737 1 676 . 1 1 59 59 ASP HB3 H 1 2.538 0.02 . 2 . . . . 59 D HB3 . 15737 1 677 . 1 1 59 59 ASP CA C 13 54.396 0.042 . 1 . . . . 59 D CA . 15737 1 678 . 1 1 59 59 ASP CB C 13 41.086 0.074 . 1 . . . . 59 D CB . 15737 1 679 . 1 1 59 59 ASP N N 15 122.551 0.059 . 1 . . . . 59 D N . 15737 1 680 . 1 1 60 60 SER H H 1 8.253 0.002 . 1 . . . . 60 S HN . 15737 1 681 . 1 1 60 60 SER HA H 1 4.260 0.009 . 1 . . . . 60 S HA . 15737 1 682 . 1 1 60 60 SER HB2 H 1 3.938 0.005 . 2 . . . . 60 S HB2 . 15737 1 683 . 1 1 60 60 SER HB3 H 1 3.831 0.006 . 2 . . . . 60 S HB3 . 15737 1 684 . 1 1 60 60 SER CA C 13 59.533 0.026 . 1 . . . . 60 S CA . 15737 1 685 . 1 1 60 60 SER CB C 13 63.422 0.019 . 1 . . . . 60 S CB . 15737 1 686 . 1 1 60 60 SER N N 15 117.657 0.051 . 1 . . . . 60 S N . 15737 1 687 . 1 1 61 61 SER H H 1 8.344 0.009 . 1 . . . . 61 S HN . 15737 1 688 . 1 1 61 61 SER HA H 1 4.307 0.008 . 1 . . . . 61 S HA . 15737 1 689 . 1 1 61 61 SER HB2 H 1 3.863 0.02 . 2 . . . . 61 S HB2 . 15737 1 690 . 1 1 61 61 SER HB3 H 1 3.829 0.001 . 2 . . . . 61 S HB3 . 15737 1 691 . 1 1 61 61 SER CA C 13 59.755 0.043 . 1 . . . . 61 S CA . 15737 1 692 . 1 1 61 61 SER CB C 13 63.582 0.053 . 1 . . . . 61 S CB . 15737 1 693 . 1 1 61 61 SER N N 15 118.129 0.055 . 1 . . . . 61 S N . 15737 1 694 . 1 1 62 62 LEU H H 1 7.759 0.002 . 1 . . . . 62 L HN . 15737 1 695 . 1 1 62 62 LEU HA H 1 4.234 0.006 . 1 . . . . 62 L HA . 15737 1 696 . 1 1 62 62 LEU HB2 H 1 1.579 0.002 . 2 . . . . 62 L HB2 . 15737 1 697 . 1 1 62 62 LEU HB3 H 1 1.518 0.004 . 2 . . . . 62 L HB3 . 15737 1 698 . 1 1 62 62 LEU HD11 H 1 0.825 0.006 . 2 . . . . 62 L HD1 . 15737 1 699 . 1 1 62 62 LEU HD12 H 1 0.825 0.006 . 2 . . . . 62 L HD1 . 15737 1 700 . 1 1 62 62 LEU HD13 H 1 0.825 0.006 . 2 . . . . 62 L HD1 . 15737 1 701 . 1 1 62 62 LEU HD21 H 1 0.750 0.004 . 2 . . . . 62 L HD2 . 15737 1 702 . 1 1 62 62 LEU HD22 H 1 0.750 0.004 . 2 . . . . 62 L HD2 . 15737 1 703 . 1 1 62 62 LEU HD23 H 1 0.750 0.004 . 2 . . . . 62 L HD2 . 15737 1 704 . 1 1 62 62 LEU HG H 1 1.509 0.015 . 1 . . . . 62 L HG . 15737 1 705 . 1 1 62 62 LEU CA C 13 55.464 0.024 . 1 . . . . 62 L CA . 15737 1 706 . 1 1 62 62 LEU CB C 13 42.238 0.093 . 1 . . . . 62 L CB . 15737 1 707 . 1 1 62 62 LEU CD1 C 13 25.214 0.016 . 2 . . . . 62 L CD1 . 15737 1 708 . 1 1 62 62 LEU CD2 C 13 23.470 0.070 . 2 . . . . 62 L CD2 . 15737 1 709 . 1 1 62 62 LEU CG C 13 27.060 0.109 . 1 . . . . 62 L CG . 15737 1 710 . 1 1 62 62 LEU N N 15 122.627 0.045 . 1 . . . . 62 L N . 15737 1 711 . 1 1 63 63 ALA H H 1 7.919 0.003 . 1 . . . . 63 A HN . 15737 1 712 . 1 1 63 63 ALA HA H 1 4.276 0.004 . 1 . . . . 63 A HA . 15737 1 713 . 1 1 63 63 ALA HB1 H 1 1.350 0.014 . 1 . . . . 63 A HB . 15737 1 714 . 1 1 63 63 ALA HB2 H 1 1.350 0.014 . 1 . . . . 63 A HB . 15737 1 715 . 1 1 63 63 ALA HB3 H 1 1.350 0.014 . 1 . . . . 63 A HB . 15737 1 716 . 1 1 63 63 ALA CA C 13 52.922 0.051 . 1 . . . . 63 A CA . 15737 1 717 . 1 1 63 63 ALA CB C 13 19.221 0.249 . 1 . . . . 63 A CB . 15737 1 718 . 1 1 63 63 ALA N N 15 123.444 0.043 . 1 . . . . 63 A N . 15737 1 719 . 1 1 64 64 THR H H 1 7.890 0.006 . 1 . . . . 64 T HN . 15737 1 720 . 1 1 64 64 THR HA H 1 4.217 0.005 . 1 . . . . 64 T HA . 15737 1 721 . 1 1 64 64 THR HB H 1 4.168 0.005 . 1 . . . . 64 T HB . 15737 1 722 . 1 1 64 64 THR HG21 H 1 1.114 0.003 . . . . . . 64 T HG2 . 15737 1 723 . 1 1 64 64 THR HG22 H 1 1.114 0.003 . . . . . . 64 T HG2 . 15737 1 724 . 1 1 64 64 THR HG23 H 1 1.114 0.003 . . . . . . 64 T HG2 . 15737 1 725 . 1 1 64 64 THR CA C 13 61.787 0.030 . 1 . . . . 64 T CA . 15737 1 726 . 1 1 64 64 THR CB C 13 69.719 0.092 . 1 . . . . 64 T CB . 15737 1 727 . 1 1 64 64 THR CG2 C 13 21.576 0.186 . 1 . . . . 64 T CG2 . 15737 1 728 . 1 1 64 64 THR N N 15 112.279 0.028 . 1 . . . . 64 T N . 15737 1 729 . 1 1 65 65 LEU H H 1 8.009 0.007 . 1 . . . . 65 L HN . 15737 1 730 . 1 1 65 65 LEU HA H 1 4.295 0.008 . 1 . . . . 65 L HA . 15737 1 731 . 1 1 65 65 LEU HB2 H 1 1.546 0.003 . 2 . . . . 65 L HB2 . 15737 1 732 . 1 1 65 65 LEU HB3 H 1 1.422 0.009 . 2 . . . . 65 L HB3 . 15737 1 733 . 1 1 65 65 LEU HD11 H 1 0.818 0.014 . 2 . . . . 65 L HD1 . 15737 1 734 . 1 1 65 65 LEU HD12 H 1 0.818 0.014 . 2 . . . . 65 L HD1 . 15737 1 735 . 1 1 65 65 LEU HD13 H 1 0.818 0.014 . 2 . . . . 65 L HD1 . 15737 1 736 . 1 1 65 65 LEU HD21 H 1 0.779 0.002 . 2 . . . . 65 L HD2 . 15737 1 737 . 1 1 65 65 LEU HD22 H 1 0.779 0.002 . 2 . . . . 65 L HD2 . 15737 1 738 . 1 1 65 65 LEU HD23 H 1 0.779 0.002 . 2 . . . . 65 L HD2 . 15737 1 739 . 1 1 65 65 LEU HG H 1 1.549 0.003 . 1 . . . . 65 L HG . 15737 1 740 . 1 1 65 65 LEU CA C 13 55.345 0.048 . 1 . . . . 65 L CA . 15737 1 741 . 1 1 65 65 LEU CB C 13 42.412 0.117 . 1 . . . . 65 L CB . 15737 1 742 . 1 1 65 65 LEU CD1 C 13 25.172 0.186 . 2 . . . . 65 L CD1 . 15737 1 743 . 1 1 65 65 LEU CD2 C 13 23.526 0.056 . 2 . . . . 65 L CD2 . 15737 1 744 . 1 1 65 65 LEU CG C 13 27.071 0.056 . 1 . . . . 65 L CG . 15737 1 745 . 1 1 65 65 LEU N N 15 123.586 0.063 . 1 . . . . 65 L N . 15737 1 746 . 1 1 66 66 ASP H H 1 8.288 0.006 . 1 . . . . 66 D HN . 15737 1 747 . 1 1 66 66 ASP HA H 1 4.564 0.007 . 1 . . . . 66 D HA . 15737 1 748 . 1 1 66 66 ASP HB2 H 1 2.644 0.004 . 2 . . . . 66 D HB2 . 15737 1 749 . 1 1 66 66 ASP HB3 H 1 2.505 0.004 . 2 . . . . 66 D HB3 . 15737 1 750 . 1 1 66 66 ASP CA C 13 54.676 0.063 . 1 . . . . 66 D CA . 15737 1 751 . 1 1 66 66 ASP CB C 13 41.376 0.064 . 1 . . . . 66 D CB . 15737 1 752 . 1 1 66 66 ASP N N 15 120.344 0.086 . 1 . . . . 66 D N . 15737 1 753 . 1 1 67 67 HIS H H 1 8.058 0.009 . 1 . . . . 67 H HN . 15737 1 754 . 1 1 67 67 HIS HA H 1 5.247 0.005 . 1 . . . . 67 H HA . 15737 1 755 . 1 1 67 67 HIS HB2 H 1 2.957 0.007 . 2 . . . . 67 H HB2 . 15737 1 756 . 1 1 67 67 HIS HB3 H 1 2.927 0.006 . 2 . . . . 67 H HB3 . 15737 1 757 . 1 1 67 67 HIS HD2 H 1 6.777 0.008 . 1 . . . . 67 H HD2 . 15737 1 758 . 1 1 67 67 HIS CA C 13 55.260 0.035 . 1 . . . . 67 H CA . 15737 1 759 . 1 1 67 67 HIS CB C 13 31.974 0.154 . 1 . . . . 67 H CB . 15737 1 760 . 1 1 67 67 HIS N N 15 119.406 0.041 . 1 . . . . 67 H N . 15737 1 761 . 1 1 68 68 THR H H 1 8.919 0.005 . 1 . . . . 68 T HN . 15737 1 762 . 1 1 68 68 THR HA H 1 4.484 0.005 . 1 . . . . 68 T HA . 15737 1 763 . 1 1 68 68 THR HB H 1 3.822 0.004 . 1 . . . . 68 T HB . 15737 1 764 . 1 1 68 68 THR HG21 H 1 1.054 0.006 . . . . . . 68 T HG2 . 15737 1 765 . 1 1 68 68 THR HG22 H 1 1.054 0.006 . . . . . . 68 T HG2 . 15737 1 766 . 1 1 68 68 THR HG23 H 1 1.054 0.006 . . . . . . 68 T HG2 . 15737 1 767 . 1 1 68 68 THR CA C 13 62.542 0.048 . 1 . . . . 68 T CA . 15737 1 768 . 1 1 68 68 THR CB C 13 71.067 0.044 . 1 . . . . 68 T CB . 15737 1 769 . 1 1 68 68 THR CG2 C 13 21.508 0.213 . 1 . . . . 68 T CG2 . 15737 1 770 . 1 1 68 68 THR N N 15 117.233 0.085 . 1 . . . . 68 T N . 15737 1 771 . 1 1 69 69 GLU H H 1 8.649 0.010 . 1 . . . . 69 E HN . 15737 1 772 . 1 1 69 69 GLU HA H 1 4.703 0.003 . 1 . . . . 69 E HA . 15737 1 773 . 1 1 69 69 GLU HB2 H 1 1.949 0.002 . 2 . . . . 69 E HB2 . 15737 1 774 . 1 1 69 69 GLU HB3 H 1 1.886 0.002 . 2 . . . . 69 E HB3 . 15737 1 775 . 1 1 69 69 GLU HG2 H 1 2.310 0.002 . 2 . . . . 69 E HG2 . 15737 1 776 . 1 1 69 69 GLU HG3 H 1 2.042 0.014 . 2 . . . . 69 E HG3 . 15737 1 777 . 1 1 69 69 GLU CA C 13 55.886 0.013 . 1 . . . . 69 E CA . 15737 1 778 . 1 1 69 69 GLU CB C 13 31.746 0.107 . 1 . . . . 69 E CB . 15737 1 779 . 1 1 69 69 GLU CG C 13 37.169 0.053 . 1 . . . . 69 E CG . 15737 1 780 . 1 1 69 69 GLU N N 15 124.187 0.115 . 1 . . . . 69 E N . 15737 1 781 . 1 1 70 70 ILE H H 1 8.601 0.008 . 1 . . . . 70 I HN . 15737 1 782 . 1 1 70 70 ILE HA H 1 4.405 0.005 . 1 . . . . 70 I HA . 15737 1 783 . 1 1 70 70 ILE HB H 1 2.085 0.006 . 1 . . . . 70 I HB . 15737 1 784 . 1 1 70 70 ILE HD11 H 1 0.648 0.010 . 1 . . . . 70 I HD1 . 15737 1 785 . 1 1 70 70 ILE HD12 H 1 0.648 0.010 . 1 . . . . 70 I HD1 . 15737 1 786 . 1 1 70 70 ILE HD13 H 1 0.648 0.010 . 1 . . . . 70 I HD1 . 15737 1 787 . 1 1 70 70 ILE HG12 H 1 1.385 0.004 . 2 . . . . 70 I HG12 . 15737 1 788 . 1 1 70 70 ILE HG13 H 1 1.134 0.001 . 2 . . . . 70 I HG13 . 15737 1 789 . 1 1 70 70 ILE HG21 H 1 0.855 0.005 . 1 . . . . 70 I HG2 . 15737 1 790 . 1 1 70 70 ILE HG22 H 1 0.855 0.005 . 1 . . . . 70 I HG2 . 15737 1 791 . 1 1 70 70 ILE HG23 H 1 0.855 0.005 . 1 . . . . 70 I HG2 . 15737 1 792 . 1 1 70 70 ILE CA C 13 59.234 0.053 . 1 . . . . 70 I CA . 15737 1 793 . 1 1 70 70 ILE CB C 13 37.318 0.155 . 1 . . . . 70 I CB . 15737 1 794 . 1 1 70 70 ILE CD1 C 13 11.816 0.2 . 1 . . . . 70 I CD1 . 15737 1 795 . 1 1 70 70 ILE CG1 C 13 26.619 0.067 . 1 . . . . 70 I CG1 . 15737 1 796 . 1 1 70 70 ILE CG2 C 13 17.262 0.2 . 1 . . . . 70 I CG2 . 15737 1 797 . 1 1 70 70 ILE N N 15 123.482 0.040 . 1 . . . . 70 I N . 15737 1 798 . 1 1 71 71 LYS H H 1 8.926 0.006 . 1 . . . . 71 K HN . 15737 1 799 . 1 1 71 71 LYS HA H 1 5.078 0.004 . 1 . . . . 71 K HA . 15737 1 800 . 1 1 71 71 LYS HB2 H 1 1.519 0.011 . 2 . . . . 71 K HB2 . 15737 1 801 . 1 1 71 71 LYS HB3 H 1 1.205 0.001 . 2 . . . . 71 K HB3 . 15737 1 802 . 1 1 71 71 LYS HE2 H 1 2.923 0.017 . 2 . . . . 71 K HE2 . 15737 1 803 . 1 1 71 71 LYS HE3 H 1 2.813 0.006 . 2 . . . . 71 K HE3 . 15737 1 804 . 1 1 71 71 LYS HG2 H 1 1.108 0.004 . 2 . . . . 71 K HG2 . 15737 1 805 . 1 1 71 71 LYS HG3 H 1 1.129 0.014 . 2 . . . . 71 K HG3 . 15737 1 806 . 1 1 71 71 LYS CA C 13 54.584 0.030 . 1 . . . . 71 K CA . 15737 1 807 . 1 1 71 71 LYS CB C 13 36.281 0.075 . 1 . . . . 71 K CB . 15737 1 808 . 1 1 71 71 LYS CE C 13 42.429 0.154 . 1 . . . . 71 K CE . 15737 1 809 . 1 1 71 71 LYS CG C 13 25.661 0.030 . 1 . . . . 71 K CG . 15737 1 810 . 1 1 71 71 LYS N N 15 128.267 0.071 . 1 . . . . 71 K N . 15737 1 811 . 1 1 72 72 ALA H H 1 8.633 0.004 . 1 . . . . 72 A HN . 15737 1 812 . 1 1 72 72 ALA HA H 1 4.067 0.006 . 1 . . . . 72 A HA . 15737 1 813 . 1 1 72 72 ALA HB1 H 1 1.243 0.004 . 1 . . . . 72 A HB . 15737 1 814 . 1 1 72 72 ALA HB2 H 1 1.243 0.004 . 1 . . . . 72 A HB . 15737 1 815 . 1 1 72 72 ALA HB3 H 1 1.243 0.004 . 1 . . . . 72 A HB . 15737 1 816 . 1 1 72 72 ALA CA C 13 49.967 0.028 . 1 . . . . 72 A CA . 15737 1 817 . 1 1 72 72 ALA CB C 13 17.255 0.2 . 1 . . . . 72 A CB . 15737 1 818 . 1 1 72 72 ALA N N 15 123.088 0.056 . 1 . . . . 72 A N . 15737 1 819 . 1 1 73 73 PRO HA H 1 4.333 0.003 . 1 . . . . 73 P HA . 15737 1 820 . 1 1 73 73 PRO HB2 H 1 2.060 0.004 . 2 . . . . 73 P HB2 . 15737 1 821 . 1 1 73 73 PRO HB3 H 1 1.659 0.009 . 2 . . . . 73 P HB3 . 15737 1 822 . 1 1 73 73 PRO HD2 H 1 3.609 0.003 . 2 . . . . 73 P HD2 . 15737 1 823 . 1 1 73 73 PRO HD3 H 1 3.047 0.005 . 2 . . . . 73 P HD3 . 15737 1 824 . 1 1 73 73 PRO HG2 H 1 1.660 0.004 . 2 . . . . 73 P HG2 . 15737 1 825 . 1 1 73 73 PRO HG3 H 1 0.842 0.005 . 2 . . . . 73 P HG3 . 15737 1 826 . 1 1 73 73 PRO CA C 13 63.716 0.001 . 1 . . . . 73 P CA . 15737 1 827 . 1 1 73 73 PRO CB C 13 31.915 0.253 . 1 . . . . 73 P CB . 15737 1 828 . 1 1 73 73 PRO CD C 13 50.800 0.038 . 1 . . . . 73 P CD . 15737 1 829 . 1 1 73 73 PRO CG C 13 26.235 0.112 . 1 . . . . 73 P CG . 15737 1 830 . 1 1 74 74 PHE H H 1 6.768 0.003 . 1 . . . . 74 F HN . 15737 1 831 . 1 1 74 74 PHE HA H 1 4.421 0.005 . 1 . . . . 74 F HA . 15737 1 832 . 1 1 74 74 PHE HB2 H 1 3.365 0.003 . 2 . . . . 74 F HB2 . 15737 1 833 . 1 1 74 74 PHE HB3 H 1 3.004 0.004 . 2 . . . . 74 F HB3 . 15737 1 834 . 1 1 74 74 PHE HD1 H 1 6.975 0.003 . 3 . . . . 74 F HD . 15737 1 835 . 1 1 74 74 PHE HD2 H 1 6.975 0.003 . 3 . . . . 74 F HD . 15737 1 836 . 1 1 74 74 PHE HE1 H 1 7.015 0.002 . 3 . . . . 74 F HE . 15737 1 837 . 1 1 74 74 PHE HE2 H 1 7.015 0.002 . 3 . . . . 74 F HE . 15737 1 838 . 1 1 74 74 PHE CA C 13 54.396 0.084 . 1 . . . . 74 F CA . 15737 1 839 . 1 1 74 74 PHE CB C 13 40.697 0.132 . 1 . . . . 74 F CB . 15737 1 840 . 1 1 74 74 PHE N N 15 112.022 0.030 . 1 . . . . 74 F N . 15737 1 841 . 1 1 75 75 ASP H H 1 8.583 0.009 . 1 . . . . 75 D HN . 15737 1 842 . 1 1 75 75 ASP HA H 1 4.922 0.005 . 1 . . . . 75 D HA . 15737 1 843 . 1 1 75 75 ASP HB2 H 1 2.706 0.004 . 2 . . . . 75 D HB2 . 15737 1 844 . 1 1 75 75 ASP HB3 H 1 2.662 0.019 . 2 . . . . 75 D HB3 . 15737 1 845 . 1 1 75 75 ASP CA C 13 53.873 0.145 . 1 . . . . 75 D CA . 15737 1 846 . 1 1 75 75 ASP CB C 13 40.839 0.220 . 1 . . . . 75 D CB . 15737 1 847 . 1 1 75 75 ASP N N 15 118.252 0.051 . 1 . . . . 75 D N . 15737 1 848 . 1 1 76 76 GLY H H 1 8.348 0.009 . 1 . . . . 76 G HN . 15737 1 849 . 1 1 76 76 GLY HA2 H 1 4.236 0.001 . 2 . . . . 76 G HA2 . 15737 1 850 . 1 1 76 76 GLY HA3 H 1 4.075 0.004 . 2 . . . . 76 G HA3 . 15737 1 851 . 1 1 76 76 GLY CA C 13 46.639 0.049 . 1 . . . . 76 G CA . 15737 1 852 . 1 1 76 76 GLY N N 15 108.729 0.032 . 1 . . . . 76 G N . 15737 1 853 . 1 1 77 77 THR H H 1 8.623 0.005 . 1 . . . . 77 T HN . 15737 1 854 . 1 1 77 77 THR HA H 1 4.975 0.002 . 1 . . . . 77 T HA . 15737 1 855 . 1 1 77 77 THR HB H 1 3.806 0.005 . 1 . . . . 77 T HB . 15737 1 856 . 1 1 77 77 THR HG21 H 1 1.044 0.007 . . . . . . 77 T HG2 . 15737 1 857 . 1 1 77 77 THR HG22 H 1 1.044 0.007 . . . . . . 77 T HG2 . 15737 1 858 . 1 1 77 77 THR HG23 H 1 1.044 0.007 . . . . . . 77 T HG2 . 15737 1 859 . 1 1 77 77 THR CA C 13 61.752 0.023 . 1 . . . . 77 T CA . 15737 1 860 . 1 1 77 77 THR CB C 13 70.121 0.037 . 1 . . . . 77 T CB . 15737 1 861 . 1 1 77 77 THR CG2 C 13 21.721 0.2 . 1 . . . . 77 T CG2 . 15737 1 862 . 1 1 77 77 THR N N 15 116.400 0.032 . 1 . . . . 77 T N . 15737 1 863 . 1 1 78 78 ILE H H 1 8.824 0.006 . 1 . . . . 78 I HN . 15737 1 864 . 1 1 78 78 ILE HA H 1 4.673 0.010 . 1 . . . . 78 I HA . 15737 1 865 . 1 1 78 78 ILE HB H 1 1.195 0.004 . 1 . . . . 78 I HB . 15737 1 866 . 1 1 78 78 ILE HD11 H 1 -0.262 0.02 . 1 . . . . 78 I HD1 . 15737 1 867 . 1 1 78 78 ILE HD12 H 1 -0.262 0.02 . 1 . . . . 78 I HD1 . 15737 1 868 . 1 1 78 78 ILE HD13 H 1 -0.262 0.02 . 1 . . . . 78 I HD1 . 15737 1 869 . 1 1 78 78 ILE HG12 H 1 1.143 0.007 . 2 . . . . 78 I HG12 . 15737 1 870 . 1 1 78 78 ILE HG13 H 1 1.014 0.003 . 2 . . . . 78 I HG13 . 15737 1 871 . 1 1 78 78 ILE HG21 H 1 1.033 0.005 . 1 . . . . 78 I HG2 . 15737 1 872 . 1 1 78 78 ILE HG22 H 1 1.033 0.005 . 1 . . . . 78 I HG2 . 15737 1 873 . 1 1 78 78 ILE HG23 H 1 1.033 0.005 . 1 . . . . 78 I HG2 . 15737 1 874 . 1 1 78 78 ILE CA C 13 60.164 0.015 . 1 . . . . 78 I CA . 15737 1 875 . 1 1 78 78 ILE CB C 13 42.973 0.110 . 1 . . . . 78 I CB . 15737 1 876 . 1 1 78 78 ILE CD1 C 13 16.143 0.2 . 1 . . . . 78 I CD1 . 15737 1 877 . 1 1 78 78 ILE CG1 C 13 30.296 0.043 . 1 . . . . 78 I CG1 . 15737 1 878 . 1 1 78 78 ILE CG2 C 13 18.519 0.2 . 1 . . . . 78 I CG2 . 15737 1 879 . 1 1 78 78 ILE N N 15 129.310 0.071 . 1 . . . . 78 I N . 15737 1 880 . 1 1 79 79 GLY H H 1 8.060 0.004 . 1 . . . . 79 G HN . 15737 1 881 . 1 1 79 79 GLY HA2 H 1 4.404 0.006 . 2 . . . . 79 G HA2 . 15737 1 882 . 1 1 79 79 GLY HA3 H 1 3.775 0.005 . 2 . . . . 79 G HA3 . 15737 1 883 . 1 1 79 79 GLY CA C 13 44.149 0.060 . 1 . . . . 79 G CA . 15737 1 884 . 1 1 79 79 GLY N N 15 114.539 0.023 . 1 . . . . 79 G N . 15737 1 885 . 1 1 80 80 ASP H H 1 7.804 0.003 . 1 . . . . 80 D HN . 15737 1 886 . 1 1 80 80 ASP HA H 1 4.703 0.002 . 1 . . . . 80 D HA . 15737 1 887 . 1 1 80 80 ASP HB2 H 1 2.588 0.007 . 2 . . . . 80 D HB2 . 15737 1 888 . 1 1 80 80 ASP HB3 H 1 2.408 0.003 . 2 . . . . 80 D HB3 . 15737 1 889 . 1 1 80 80 ASP CA C 13 53.703 0.027 . 1 . . . . 80 D CA . 15737 1 890 . 1 1 80 80 ASP CB C 13 41.918 0.121 . 1 . . . . 80 D CB . 15737 1 891 . 1 1 80 80 ASP N N 15 113.688 0.043 . 1 . . . . 80 D N . 15737 1 892 . 1 1 81 81 ALA H H 1 8.566 0.005 . 1 . . . . 81 A HN . 15737 1 893 . 1 1 81 81 ALA HA H 1 4.571 0.009 . 1 . . . . 81 A HA . 15737 1 894 . 1 1 81 81 ALA HB1 H 1 1.761 0.004 . 1 . . . . 81 A HB . 15737 1 895 . 1 1 81 81 ALA HB2 H 1 1.761 0.004 . 1 . . . . 81 A HB . 15737 1 896 . 1 1 81 81 ALA HB3 H 1 1.761 0.004 . 1 . . . . 81 A HB . 15737 1 897 . 1 1 81 81 ALA CA C 13 53.312 0.093 . 1 . . . . 81 A CA . 15737 1 898 . 1 1 81 81 ALA CB C 13 20.381 0.060 . 1 . . . . 81 A CB . 15737 1 899 . 1 1 81 81 ALA N N 15 124.136 0.056 . 1 . . . . 81 A N . 15737 1 900 . 1 1 82 82 LEU H H 1 8.747 0.005 . 1 . . . . 82 L HN . 15737 1 901 . 1 1 82 82 LEU HA H 1 4.345 0.003 . 1 . . . . 82 L HA . 15737 1 902 . 1 1 82 82 LEU HB2 H 1 1.684 0.010 . 2 . . . . 82 L HB2 . 15737 1 903 . 1 1 82 82 LEU HB3 H 1 1.646 0.003 . 2 . . . . 82 L HB3 . 15737 1 904 . 1 1 82 82 LEU HD11 H 1 0.718 0.008 . 2 . . . . 82 L HD1 . 15737 1 905 . 1 1 82 82 LEU HD12 H 1 0.718 0.008 . 2 . . . . 82 L HD1 . 15737 1 906 . 1 1 82 82 LEU HD13 H 1 0.718 0.008 . 2 . . . . 82 L HD1 . 15737 1 907 . 1 1 82 82 LEU HD21 H 1 0.809 0.009 . 2 . . . . 82 L HD2 . 15737 1 908 . 1 1 82 82 LEU HD22 H 1 0.809 0.009 . 2 . . . . 82 L HD2 . 15737 1 909 . 1 1 82 82 LEU HD23 H 1 0.809 0.009 . 2 . . . . 82 L HD2 . 15737 1 910 . 1 1 82 82 LEU CA C 13 55.210 0.039 . 1 . . . . 82 L CA . 15737 1 911 . 1 1 82 82 LEU CB C 13 41.457 0.076 . 1 . . . . 82 L CB . 15737 1 912 . 1 1 82 82 LEU CD1 C 13 25.073 0.039 . 2 . . . . 82 L CD1 . 15737 1 913 . 1 1 82 82 LEU CD2 C 13 22.196 0.2 . 2 . . . . 82 L CD2 . 15737 1 914 . 1 1 82 82 LEU N N 15 121.773 0.061 . 1 . . . . 82 L N . 15737 1 915 . 1 1 83 83 VAL H H 1 7.141 0.005 . 1 . . . . 83 V HN . 15737 1 916 . 1 1 83 83 VAL HA H 1 4.496 0.008 . 1 . . . . 83 V HA . 15737 1 917 . 1 1 83 83 VAL HB H 1 2.138 0.005 . 1 . . . . 83 V HB . 15737 1 918 . 1 1 83 83 VAL HG11 H 1 0.834 0.008 . 2 . . . . 83 V HG1 . 15737 1 919 . 1 1 83 83 VAL HG12 H 1 0.834 0.008 . 2 . . . . 83 V HG1 . 15737 1 920 . 1 1 83 83 VAL HG13 H 1 0.834 0.008 . 2 . . . . 83 V HG1 . 15737 1 921 . 1 1 83 83 VAL HG21 H 1 0.537 0.010 . 2 . . . . 83 V HG2 . 15737 1 922 . 1 1 83 83 VAL HG22 H 1 0.537 0.010 . 2 . . . . 83 V HG2 . 15737 1 923 . 1 1 83 83 VAL HG23 H 1 0.537 0.010 . 2 . . . . 83 V HG2 . 15737 1 924 . 1 1 83 83 VAL CA C 13 58.502 0.073 . 1 . . . . 83 V CA . 15737 1 925 . 1 1 83 83 VAL CB C 13 35.229 0.163 . 1 . . . . 83 V CB . 15737 1 926 . 1 1 83 83 VAL CG1 C 13 22.085 0.2 . 2 . . . . 83 V CG1 . 15737 1 927 . 1 1 83 83 VAL CG2 C 13 18.951 0.2 . 2 . . . . 83 V CG2 . 15737 1 928 . 1 1 83 83 VAL N N 15 108.169 0.046 . 1 . . . . 83 V N . 15737 1 929 . 1 1 84 84 ASN H H 1 9.076 0.003 . 1 . . . . 84 N HN . 15737 1 930 . 1 1 84 84 ASN HA H 1 4.887 0.004 . 1 . . . . 84 N HA . 15737 1 931 . 1 1 84 84 ASN HB2 H 1 2.662 0.006 . 2 . . . . 84 N HB2 . 15737 1 932 . 1 1 84 84 ASN HB3 H 1 2.540 0.004 . 2 . . . . 84 N HB3 . 15737 1 933 . 1 1 84 84 ASN HD21 H 1 7.963 0.008 . 2 . . . . 84 N HD21 . 15737 1 934 . 1 1 84 84 ASN HD22 H 1 6.907 0.005 . 2 . . . . 84 N HD22 . 15737 1 935 . 1 1 84 84 ASN CA C 13 51.248 0.045 . 1 . . . . 84 N CA . 15737 1 936 . 1 1 84 84 ASN CB C 13 41.989 0.090 . 1 . . . . 84 N CB . 15737 1 937 . 1 1 84 84 ASN N N 15 119.502 0.041 . 1 . . . . 84 N N . 15737 1 938 . 1 1 84 84 ASN ND2 N 15 115.564 0.017 . 1 . . . . 84 N ND2 . 15737 1 939 . 1 1 85 85 ILE H H 1 8.404 0.006 . 1 . . . . 85 I HN . 15737 1 940 . 1 1 85 85 ILE HA H 1 3.393 0.006 . 1 . . . . 85 I HA . 15737 1 941 . 1 1 85 85 ILE HB H 1 1.660 0.005 . 1 . . . . 85 I HB . 15737 1 942 . 1 1 85 85 ILE HD11 H 1 0.902 0.001 . 1 . . . . 85 I HD1 . 15737 1 943 . 1 1 85 85 ILE HD12 H 1 0.902 0.001 . 1 . . . . 85 I HD1 . 15737 1 944 . 1 1 85 85 ILE HD13 H 1 0.902 0.001 . 1 . . . . 85 I HD1 . 15737 1 945 . 1 1 85 85 ILE HG12 H 1 1.581 0.007 . 2 . . . . 85 I HG12 . 15737 1 946 . 1 1 85 85 ILE HG13 H 1 0.881 0.012 . 2 . . . . 85 I HG13 . 15737 1 947 . 1 1 85 85 ILE HG21 H 1 0.821 0.012 . 1 . . . . 85 I HG2 . 15737 1 948 . 1 1 85 85 ILE HG22 H 1 0.821 0.012 . 1 . . . . 85 I HG2 . 15737 1 949 . 1 1 85 85 ILE HG23 H 1 0.821 0.012 . 1 . . . . 85 I HG2 . 15737 1 950 . 1 1 85 85 ILE CA C 13 63.873 0.026 . 1 . . . . 85 I CA . 15737 1 951 . 1 1 85 85 ILE CB C 13 37.146 0.144 . 1 . . . . 85 I CB . 15737 1 952 . 1 1 85 85 ILE CD1 C 13 13.069 0.2 . 1 . . . . 85 I CD1 . 15737 1 953 . 1 1 85 85 ILE CG1 C 13 28.970 0.067 . 1 . . . . 85 I CG1 . 15737 1 954 . 1 1 85 85 ILE CG2 C 13 17.200 0.2 . 1 . . . . 85 I CG2 . 15737 1 955 . 1 1 85 85 ILE N N 15 119.409 0.026 . 1 . . . . 85 I N . 15737 1 956 . 1 1 86 86 GLY H H 1 9.239 0.003 . 1 . . . . 86 G HN . 15737 1 957 . 1 1 86 86 GLY HA2 H 1 4.401 0.008 . 2 . . . . 86 G HA2 . 15737 1 958 . 1 1 86 86 GLY HA3 H 1 3.411 0.004 . 2 . . . . 86 G HA3 . 15737 1 959 . 1 1 86 86 GLY CA C 13 44.869 0.015 . 1 . . . . 86 G CA . 15737 1 960 . 1 1 86 86 GLY N N 15 117.321 0.037 . 1 . . . . 86 G N . 15737 1 961 . 1 1 87 87 ASP H H 1 7.968 0.008 . 1 . . . . 87 D HN . 15737 1 962 . 1 1 87 87 ASP HA H 1 4.607 0.006 . 1 . . . . 87 D HA . 15737 1 963 . 1 1 87 87 ASP HB2 H 1 2.805 0.010 . 2 . . . . 87 D HB2 . 15737 1 964 . 1 1 87 87 ASP HB3 H 1 2.474 0.005 . 2 . . . . 87 D HB3 . 15737 1 965 . 1 1 87 87 ASP CA C 13 54.886 0.140 . 1 . . . . 87 D CA . 15737 1 966 . 1 1 87 87 ASP CB C 13 40.771 0.081 . 1 . . . . 87 D CB . 15737 1 967 . 1 1 87 87 ASP N N 15 121.490 0.031 . 1 . . . . 87 D N . 15737 1 968 . 1 1 88 88 TYR H H 1 8.566 0.006 . 1 . . . . 88 Y HN . 15737 1 969 . 1 1 88 88 TYR HA H 1 4.712 0.008 . 1 . . . . 88 Y HA . 15737 1 970 . 1 1 88 88 TYR HB2 H 1 2.840 0.002 . 2 . . . . 88 Y HB . 15737 1 971 . 1 1 88 88 TYR HB3 H 1 2.840 0.002 . 2 . . . . 88 Y HB . 15737 1 972 . 1 1 88 88 TYR HD1 H 1 6.817 0.003 . 3 . . . . 88 Y HD . 15737 1 973 . 1 1 88 88 TYR HD2 H 1 6.817 0.003 . 3 . . . . 88 Y HD . 15737 1 974 . 1 1 88 88 TYR HE1 H 1 6.714 0.005 . 3 . . . . 88 Y HE . 15737 1 975 . 1 1 88 88 TYR HE2 H 1 6.714 0.005 . 3 . . . . 88 Y HE . 15737 1 976 . 1 1 88 88 TYR CA C 13 57.826 0.034 . 1 . . . . 88 Y CA . 15737 1 977 . 1 1 88 88 TYR CB C 13 39.243 0.101 . 1 . . . . 88 Y CB . 15737 1 978 . 1 1 88 88 TYR N N 15 122.340 0.053 . 1 . . . . 88 Y N . 15737 1 979 . 1 1 89 89 VAL H H 1 8.951 0.008 . 1 . . . . 89 V HN . 15737 1 980 . 1 1 89 89 VAL HA H 1 4.578 0.009 . 1 . . . . 89 V HA . 15737 1 981 . 1 1 89 89 VAL HB H 1 1.723 0.006 . 1 . . . . 89 V HB . 15737 1 982 . 1 1 89 89 VAL HG11 H 1 0.677 0.007 . 2 . . . . 89 V HG1 . 15737 1 983 . 1 1 89 89 VAL HG12 H 1 0.677 0.007 . 2 . . . . 89 V HG1 . 15737 1 984 . 1 1 89 89 VAL HG13 H 1 0.677 0.007 . 2 . . . . 89 V HG1 . 15737 1 985 . 1 1 89 89 VAL HG21 H 1 0.547 0.007 . 2 . . . . 89 V HG2 . 15737 1 986 . 1 1 89 89 VAL HG22 H 1 0.547 0.007 . 2 . . . . 89 V HG2 . 15737 1 987 . 1 1 89 89 VAL HG23 H 1 0.547 0.007 . 2 . . . . 89 V HG2 . 15737 1 988 . 1 1 89 89 VAL CA C 13 58.339 0.150 . 1 . . . . 89 V CA . 15737 1 989 . 1 1 89 89 VAL CB C 13 34.321 0.107 . 1 . . . . 89 V CB . 15737 1 990 . 1 1 89 89 VAL CG1 C 13 22.506 0.2 . 2 . . . . 89 V CG1 . 15737 1 991 . 1 1 89 89 VAL CG2 C 13 18.681 0.2 . 2 . . . . 89 V CG2 . 15737 1 992 . 1 1 89 89 VAL N N 15 121.914 0.068 . 1 . . . . 89 V N . 15737 1 993 . 1 1 90 90 SER H H 1 8.777 0.007 . 1 . . . . 90 S HN . 15737 1 994 . 1 1 90 90 SER HA H 1 4.750 0.001 . 1 . . . . 90 S HA . 15737 1 995 . 1 1 90 90 SER HB2 H 1 3.701 0.013 . 2 . . . . 90 S HB2 . 15737 1 996 . 1 1 90 90 SER HB3 H 1 3.548 0.006 . 2 . . . . 90 S HB3 . 15737 1 997 . 1 1 90 90 SER CA C 13 56.895 0.028 . 1 . . . . 90 S CA . 15737 1 998 . 1 1 90 90 SER CB C 13 64.866 0.088 . 1 . . . . 90 S CB . 15737 1 999 . 1 1 90 90 SER N N 15 114.813 0.070 . 1 . . . . 90 S N . 15737 1 1000 . 1 1 91 91 ALA H H 1 8.712 0.004 . 1 . . . . 91 A HN . 15737 1 1001 . 1 1 91 91 ALA HA H 1 3.515 0.004 . 1 . . . . 91 A HA . 15737 1 1002 . 1 1 91 91 ALA HB1 H 1 1.078 0.007 . 1 . . . . 91 A HB . 15737 1 1003 . 1 1 91 91 ALA HB2 H 1 1.078 0.007 . 1 . . . . 91 A HB . 15737 1 1004 . 1 1 91 91 ALA HB3 H 1 1.078 0.007 . 1 . . . . 91 A HB . 15737 1 1005 . 1 1 91 91 ALA CA C 13 53.317 0.042 . 1 . . . . 91 A CA . 15737 1 1006 . 1 1 91 91 ALA CB C 13 18.678 0.2 . 1 . . . . 91 A CB . 15737 1 1007 . 1 1 91 91 ALA N N 15 129.870 0.039 . 1 . . . . 91 A N . 15737 1 1008 . 1 1 92 92 SER H H 1 9.170 0.004 . 1 . . . . 92 S HN . 15737 1 1009 . 1 1 92 92 SER HA H 1 3.817 0.003 . 1 . . . . 92 S HA . 15737 1 1010 . 1 1 92 92 SER HB2 H 1 3.992 0.005 . 2 . . . . 92 S HB . 15737 1 1011 . 1 1 92 92 SER HB3 H 1 3.992 0.005 . 2 . . . . 92 S HB . 15737 1 1012 . 1 1 92 92 SER CA C 13 60.652 0.043 . 1 . . . . 92 S CA . 15737 1 1013 . 1 1 92 92 SER CB C 13 62.505 0.063 . 1 . . . . 92 S CB . 15737 1 1014 . 1 1 92 92 SER N N 15 113.294 0.052 . 1 . . . . 92 S N . 15737 1 1015 . 1 1 93 93 THR H H 1 7.816 0.006 . 1 . . . . 93 T HN . 15737 1 1016 . 1 1 93 93 THR HA H 1 4.402 0.005 . 1 . . . . 93 T HA . 15737 1 1017 . 1 1 93 93 THR HB H 1 3.741 0.005 . 1 . . . . 93 T HB . 15737 1 1018 . 1 1 93 93 THR HG21 H 1 1.108 0.002 . . . . . . 93 T HG2 . 15737 1 1019 . 1 1 93 93 THR HG22 H 1 1.108 0.002 . . . . . . 93 T HG2 . 15737 1 1020 . 1 1 93 93 THR HG23 H 1 1.108 0.002 . . . . . . 93 T HG2 . 15737 1 1021 . 1 1 93 93 THR CA C 13 64.378 0.003 . 1 . . . . 93 T CA . 15737 1 1022 . 1 1 93 93 THR CB C 13 70.948 0.039 . 1 . . . . 93 T CB . 15737 1 1023 . 1 1 93 93 THR CG2 C 13 20.586 0.2 . 1 . . . . 93 T CG2 . 15737 1 1024 . 1 1 93 93 THR N N 15 113.858 0.038 . 1 . . . . 93 T N . 15737 1 1025 . 1 1 94 94 THR H H 1 7.702 0.003 . 1 . . . . 94 T HN . 15737 1 1026 . 1 1 94 94 THR HA H 1 3.910 0.005 . 1 . . . . 94 T HA . 15737 1 1027 . 1 1 94 94 THR HB H 1 3.508 0.007 . 1 . . . . 94 T HB . 15737 1 1028 . 1 1 94 94 THR HG21 H 1 1.121 0.007 . . . . . . 94 T HG2 . 15737 1 1029 . 1 1 94 94 THR HG22 H 1 1.121 0.007 . . . . . . 94 T HG2 . 15737 1 1030 . 1 1 94 94 THR HG23 H 1 1.121 0.007 . . . . . . 94 T HG2 . 15737 1 1031 . 1 1 94 94 THR CA C 13 65.140 0.033 . 1 . . . . 94 T CA . 15737 1 1032 . 1 1 94 94 THR CB C 13 70.001 0.104 . 1 . . . . 94 T CB . 15737 1 1033 . 1 1 94 94 THR CG2 C 13 22.784 0.2 . 1 . . . . 94 T CG2 . 15737 1 1034 . 1 1 94 94 THR N N 15 119.588 0.041 . 1 . . . . 94 T N . 15737 1 1035 . 1 1 95 95 GLU H H 1 8.407 0.004 . 1 . . . . 95 E HN . 15737 1 1036 . 1 1 95 95 GLU HA H 1 3.801 0.005 . 1 . . . . 95 E HA . 15737 1 1037 . 1 1 95 95 GLU HB2 H 1 1.930 0.011 . 2 . . . . 95 E HB2 . 15737 1 1038 . 1 1 95 95 GLU HB3 H 1 1.582 0.005 . 2 . . . . 95 E HB3 . 15737 1 1039 . 1 1 95 95 GLU HG2 H 1 2.440 0.007 . 2 . . . . 95 E HG2 . 15737 1 1040 . 1 1 95 95 GLU HG3 H 1 1.850 0.011 . 2 . . . . 95 E HG3 . 15737 1 1041 . 1 1 95 95 GLU CA C 13 56.613 0.019 . 1 . . . . 95 E CA . 15737 1 1042 . 1 1 95 95 GLU CB C 13 29.600 0.215 . 1 . . . . 95 E CB . 15737 1 1043 . 1 1 95 95 GLU CG C 13 37.126 0.053 . 1 . . . . 95 E CG . 15737 1 1044 . 1 1 95 95 GLU N N 15 124.764 0.073 . 1 . . . . 95 E N . 15737 1 1045 . 1 1 96 96 LEU H H 1 8.750 0.006 . 1 . . . . 96 L HN . 15737 1 1046 . 1 1 96 96 LEU HA H 1 4.260 0.005 . 1 . . . . 96 L HA . 15737 1 1047 . 1 1 96 96 LEU HB2 H 1 1.552 0.004 . 2 . . . . 96 L HB2 . 15737 1 1048 . 1 1 96 96 LEU HB3 H 1 1.085 0.008 . 2 . . . . 96 L HB3 . 15737 1 1049 . 1 1 96 96 LEU HD11 H 1 0.257 0.004 . 2 . . . . 96 L HD1 . 15737 1 1050 . 1 1 96 96 LEU HD12 H 1 0.257 0.004 . 2 . . . . 96 L HD1 . 15737 1 1051 . 1 1 96 96 LEU HD13 H 1 0.257 0.004 . 2 . . . . 96 L HD1 . 15737 1 1052 . 1 1 96 96 LEU HD21 H 1 0.248 0.005 . 2 . . . . 96 L HD2 . 15737 1 1053 . 1 1 96 96 LEU HD22 H 1 0.248 0.005 . 2 . . . . 96 L HD2 . 15737 1 1054 . 1 1 96 96 LEU HD23 H 1 0.248 0.005 . 2 . . . . 96 L HD2 . 15737 1 1055 . 1 1 96 96 LEU HG H 1 1.658 0.008 . 1 . . . . 96 L HG . 15737 1 1056 . 1 1 96 96 LEU CA C 13 56.927 0.044 . 1 . . . . 96 L CA . 15737 1 1057 . 1 1 96 96 LEU CB C 13 43.310 0.043 . 1 . . . . 96 L CB . 15737 1 1058 . 1 1 96 96 LEU CD1 C 13 26.299 0.046 . 2 . . . . 96 L CD1 . 15737 1 1059 . 1 1 96 96 LEU CD2 C 13 23.718 0.044 . 2 . . . . 96 L CD2 . 15737 1 1060 . 1 1 96 96 LEU CG C 13 26.454 0.121 . 1 . . . . 96 L CG . 15737 1 1061 . 1 1 96 96 LEU N N 15 120.035 0.088 . 1 . . . . 96 L N . 15737 1 1062 . 1 1 97 97 VAL H H 1 7.053 0.008 . 1 . . . . 97 V HN . 15737 1 1063 . 1 1 97 97 VAL HA H 1 4.345 0.004 . 1 . . . . 97 V HA . 15737 1 1064 . 1 1 97 97 VAL HB H 1 2.791 0.009 . 1 . . . . 97 V HB . 15737 1 1065 . 1 1 97 97 VAL HG11 H 1 0.919 0.007 . 2 . . . . 97 V HG1 . 15737 1 1066 . 1 1 97 97 VAL HG12 H 1 0.919 0.007 . 2 . . . . 97 V HG1 . 15737 1 1067 . 1 1 97 97 VAL HG13 H 1 0.919 0.007 . 2 . . . . 97 V HG1 . 15737 1 1068 . 1 1 97 97 VAL HG21 H 1 0.570 0.011 . 2 . . . . 97 V HG2 . 15737 1 1069 . 1 1 97 97 VAL HG22 H 1 0.570 0.011 . 2 . . . . 97 V HG2 . 15737 1 1070 . 1 1 97 97 VAL HG23 H 1 0.570 0.011 . 2 . . . . 97 V HG2 . 15737 1 1071 . 1 1 97 97 VAL CA C 13 61.291 0.027 . 1 . . . . 97 V CA . 15737 1 1072 . 1 1 97 97 VAL CB C 13 31.577 0.072 . 1 . . . . 97 V CB . 15737 1 1073 . 1 1 97 97 VAL CG1 C 13 22.499 0.2 . 2 . . . . 97 V CG1 . 15737 1 1074 . 1 1 97 97 VAL CG2 C 13 19.831 0.2 . 2 . . . . 97 V CG2 . 15737 1 1075 . 1 1 97 97 VAL N N 15 112.365 0.053 . 1 . . . . 97 V N . 15737 1 1076 . 1 1 98 98 ARG H H 1 8.980 0.010 . 1 . . . . 98 R HN . 15737 1 1077 . 1 1 98 98 ARG HA H 1 5.267 0.004 . 1 . . . . 98 R HA . 15737 1 1078 . 1 1 98 98 ARG HB2 H 1 1.698 0.001 . 2 . . . . 98 R HB2 . 15737 1 1079 . 1 1 98 98 ARG HB3 H 1 1.604 0.002 . 2 . . . . 98 R HB3 . 15737 1 1080 . 1 1 98 98 ARG HD2 H 1 3.121 0.003 . 2 . . . . 98 R HD2 . 15737 1 1081 . 1 1 98 98 ARG HD3 H 1 3.078 0.012 . 2 . . . . 98 R HD3 . 15737 1 1082 . 1 1 98 98 ARG HG2 H 1 1.466 0.002 . 2 . . . . 98 R HG2 . 15737 1 1083 . 1 1 98 98 ARG HG3 H 1 1.313 0.004 . 2 . . . . 98 R HG3 . 15737 1 1084 . 1 1 98 98 ARG CA C 13 55.195 0.041 . 1 . . . . 98 R CA . 15737 1 1085 . 1 1 98 98 ARG CB C 13 32.818 0.100 . 1 . . . . 98 R CB . 15737 1 1086 . 1 1 98 98 ARG CD C 13 43.394 0.011 . 1 . . . . 98 R CD . 15737 1 1087 . 1 1 98 98 ARG CG C 13 28.326 0.052 . 1 . . . . 98 R CG . 15737 1 1088 . 1 1 98 98 ARG N N 15 127.477 0.105 . 1 . . . . 98 R N . 15737 1 1089 . 1 1 99 99 VAL H H 1 8.887 0.007 . 1 . . . . 99 V HN . 15737 1 1090 . 1 1 99 99 VAL HA H 1 4.556 0.012 . 1 . . . . 99 V HA . 15737 1 1091 . 1 1 99 99 VAL HB H 1 1.645 0.008 . 1 . . . . 99 V HB . 15737 1 1092 . 1 1 99 99 VAL HG11 H 1 0.538 0.004 . 2 . . . . 99 V HG1 . 15737 1 1093 . 1 1 99 99 VAL HG12 H 1 0.538 0.004 . 2 . . . . 99 V HG1 . 15737 1 1094 . 1 1 99 99 VAL HG13 H 1 0.538 0.004 . 2 . . . . 99 V HG1 . 15737 1 1095 . 1 1 99 99 VAL CA C 13 60.968 0.077 . 1 . . . . 99 V CA . 15737 1 1096 . 1 1 99 99 VAL CB C 13 34.186 0.114 . 1 . . . . 99 V CB . 15737 1 1097 . 1 1 99 99 VAL CG1 C 13 21.635 0.2 . 2 . . . . 99 V CG1 . 15737 1 1098 . 1 1 99 99 VAL N N 15 122.826 0.074 . 1 . . . . 99 V N . 15737 1 1099 . 1 1 100 100 THR H H 1 8.833 0.006 . 1 . . . . 100 T HN . 15737 1 1100 . 1 1 100 100 THR HA H 1 4.559 0.006 . 1 . . . . 100 T HA . 15737 1 1101 . 1 1 100 100 THR HB H 1 3.997 0.007 . 1 . . . . 100 T HB . 15737 1 1102 . 1 1 100 100 THR HG21 H 1 1.191 0.003 . . . . . . 100 T HG2 . 15737 1 1103 . 1 1 100 100 THR HG22 H 1 1.191 0.003 . . . . . . 100 T HG2 . 15737 1 1104 . 1 1 100 100 THR HG23 H 1 1.191 0.003 . . . . . . 100 T HG2 . 15737 1 1105 . 1 1 100 100 THR CA C 13 61.080 0.035 . 1 . . . . 100 T CA . 15737 1 1106 . 1 1 100 100 THR CB C 13 70.669 0.2 . 1 . . . . 100 T CB . 15737 1 1107 . 1 1 100 100 THR CG2 C 13 21.231 0.2 . 1 . . . . 100 T CG2 . 15737 1 1108 . 1 1 100 100 THR N N 15 121.816 0.083 . 1 . . . . 100 T N . 15737 1 1109 . 1 1 101 101 ASN H H 1 8.153 0.006 . 1 . . . . 101 N HN . 15737 1 1110 . 1 1 101 101 ASN HA H 1 4.518 0.012 . 1 . . . . 101 N HA . 15737 1 1111 . 1 1 101 101 ASN HB2 H 1 2.414 0.004 . 2 . . . . 101 N HB2 . 15737 1 1112 . 1 1 101 101 ASN HB3 H 1 2.394 0.013 . 2 . . . . 101 N HB3 . 15737 1 1113 . 1 1 101 101 ASN HD21 H 1 7.096 0.002 . 2 . . . . 101 N HD21 . 15737 1 1114 . 1 1 101 101 ASN HD22 H 1 6.327 0.001 . 2 . . . . 101 N HD22 . 15737 1 1115 . 1 1 101 101 ASN CA C 13 54.238 0.096 . 1 . . . . 101 N CA . 15737 1 1116 . 1 1 101 101 ASN CB C 13 38.470 0.014 . 1 . . . . 101 N CB . 15737 1 1117 . 1 1 101 101 ASN N N 15 122.733 0.094 . 1 . . . . 101 N N . 15737 1 1118 . 1 1 101 101 ASN ND2 N 15 112.034 0.021 . 1 . . . . 101 N ND2 . 15737 1 1119 . 1 1 102 102 LEU H H 1 8.160 0.005 . 1 . . . . 102 L HN . 15737 1 1120 . 1 1 102 102 LEU HA H 1 4.245 0.002 . 1 . . . . 102 L HA . 15737 1 1121 . 1 1 102 102 LEU HB2 H 1 1.468 0.004 . 2 . . . . 102 L HB . 15737 1 1122 . 1 1 102 102 LEU HB3 H 1 1.468 0.004 . 2 . . . . 102 L HB . 15737 1 1123 . 1 1 102 102 LEU HD11 H 1 0.791 0.004 . 2 . . . . 102 L HD1 . 15737 1 1124 . 1 1 102 102 LEU HD12 H 1 0.791 0.004 . 2 . . . . 102 L HD1 . 15737 1 1125 . 1 1 102 102 LEU HD13 H 1 0.791 0.004 . 2 . . . . 102 L HD1 . 15737 1 1126 . 1 1 102 102 LEU HD21 H 1 0.753 0.003 . 2 . . . . 102 L HD2 . 15737 1 1127 . 1 1 102 102 LEU HD22 H 1 0.753 0.003 . 2 . . . . 102 L HD2 . 15737 1 1128 . 1 1 102 102 LEU HD23 H 1 0.753 0.003 . 2 . . . . 102 L HD2 . 15737 1 1129 . 1 1 102 102 LEU HG H 1 1.480 0.001 . 1 . . . . 102 L HG . 15737 1 1130 . 1 1 102 102 LEU CA C 13 55.449 0.118 . 1 . . . . 102 L CA . 15737 1 1131 . 1 1 102 102 LEU CB C 13 42.549 0.164 . 1 . . . . 102 L CB . 15737 1 1132 . 1 1 102 102 LEU CD1 C 13 25.060 0.009 . 2 . . . . 102 L CD1 . 15737 1 1133 . 1 1 102 102 LEU CD2 C 13 23.698 0.011 . 2 . . . . 102 L CD2 . 15737 1 1134 . 1 1 102 102 LEU CG C 13 27.241 0.004 . 1 . . . . 102 L CG . 15737 1 1135 . 1 1 102 102 LEU N N 15 122.544 0.086 . 1 . . . . 102 L N . 15737 1 1136 . 1 1 103 103 ASN H H 1 8.405 0.007 . 1 . . . . 103 N HN . 15737 1 1137 . 1 1 103 103 ASN HA H 1 4.867 0.005 . 1 . . . . 103 N HA . 15737 1 1138 . 1 1 103 103 ASN HB2 H 1 2.727 0.008 . 2 . . . . 103 N HB2 . 15737 1 1139 . 1 1 103 103 ASN HB3 H 1 2.578 0.005 . 2 . . . . 103 N HB3 . 15737 1 1140 . 1 1 103 103 ASN HD21 H 1 7.574 0.002 . 2 . . . . 103 N HD21 . 15737 1 1141 . 1 1 103 103 ASN HD22 H 1 6.862 0.003 . 2 . . . . 103 N HD22 . 15737 1 1142 . 1 1 103 103 ASN CA C 13 51.316 0.048 . 1 . . . . 103 N CA . 15737 1 1143 . 1 1 103 103 ASN CB C 13 39.049 0.043 . 1 . . . . 103 N CB . 15737 1 1144 . 1 1 103 103 ASN N N 15 120.174 0.090 . 1 . . . . 103 N N . 15737 1 1145 . 1 1 103 103 ASN ND2 N 15 113.070 0.016 . 1 . . . . 103 N ND2 . 15737 1 1146 . 1 1 104 104 PRO HA H 1 4.230 0.004 . 1 . . . . 104 P HA . 15737 1 1147 . 1 1 104 104 PRO HB2 H 1 2.074 0.005 . 2 . . . . 104 P HB2 . 15737 1 1148 . 1 1 104 104 PRO HB3 H 1 1.655 0.008 . 2 . . . . 104 P HB3 . 15737 1 1149 . 1 1 104 104 PRO HD2 H 1 3.690 0.002 . 2 . . . . 104 P HD2 . 15737 1 1150 . 1 1 104 104 PRO HD3 H 1 3.609 0.009 . 2 . . . . 104 P HD3 . 15737 1 1151 . 1 1 104 104 PRO HG2 H 1 1.880 0.006 . 2 . . . . 104 P HG2 . 15737 1 1152 . 1 1 104 104 PRO HG3 H 1 1.883 0.003 . 2 . . . . 104 P HG3 . 15737 1 1153 . 1 1 104 104 PRO CA C 13 63.559 0.020 . 1 . . . . 104 P CA . 15737 1 1154 . 1 1 104 104 PRO CB C 13 32.102 0.086 . 1 . . . . 104 P CB . 15737 1 1155 . 1 1 104 104 PRO CD C 13 50.760 0.041 . 1 . . . . 104 P CD . 15737 1 1156 . 1 1 104 104 PRO CG C 13 27.306 0.073 . 1 . . . . 104 P CG . 15737 1 1157 . 1 1 105 105 ILE H H 1 7.886 0.003 . 1 . . . . 105 I HN . 15737 1 1158 . 1 1 105 105 ILE HA H 1 3.941 0.004 . 1 . . . . 105 I HA . 15737 1 1159 . 1 1 105 105 ILE HB H 1 1.603 0.004 . 1 . . . . 105 I HB . 15737 1 1160 . 1 1 105 105 ILE HD11 H 1 0.669 0.007 . 1 . . . . 105 I HD1 . 15737 1 1161 . 1 1 105 105 ILE HD12 H 1 0.669 0.007 . 1 . . . . 105 I HD1 . 15737 1 1162 . 1 1 105 105 ILE HD13 H 1 0.669 0.007 . 1 . . . . 105 I HD1 . 15737 1 1163 . 1 1 105 105 ILE HG12 H 1 1.174 0.004 . 2 . . . . 105 I HG12 . 15737 1 1164 . 1 1 105 105 ILE HG13 H 1 0.945 0.006 . 2 . . . . 105 I HG13 . 15737 1 1165 . 1 1 105 105 ILE HG21 H 1 0.641 0.008 . 1 . . . . 105 I HG2 . 15737 1 1166 . 1 1 105 105 ILE HG22 H 1 0.641 0.008 . 1 . . . . 105 I HG2 . 15737 1 1167 . 1 1 105 105 ILE HG23 H 1 0.641 0.008 . 1 . . . . 105 I HG2 . 15737 1 1168 . 1 1 105 105 ILE CA C 13 61.348 0.199 . 1 . . . . 105 I CA . 15737 1 1169 . 1 1 105 105 ILE CB C 13 38.569 0.061 . 1 . . . . 105 I CB . 15737 1 1170 . 1 1 105 105 ILE CD1 C 13 13.063 0.2 . 1 . . . . 105 I CD1 . 15737 1 1171 . 1 1 105 105 ILE CG1 C 13 27.219 0.049 . 1 . . . . 105 I CG1 . 15737 1 1172 . 1 1 105 105 ILE CG2 C 13 17.460 0.2 . 1 . . . . 105 I CG2 . 15737 1 1173 . 1 1 105 105 ILE N N 15 119.390 0.057 . 1 . . . . 105 I N . 15737 1 1174 . 1 1 106 106 TYR H H 1 7.961 0.007 . 1 . . . . 106 Y HN . 15737 1 1175 . 1 1 106 106 TYR HA H 1 4.536 0.009 . 1 . . . . 106 Y HA . 15737 1 1176 . 1 1 106 106 TYR HB2 H 1 2.990 0.004 . 2 . . . . 106 Y HB2 . 15737 1 1177 . 1 1 106 106 TYR HB3 H 1 2.753 0.009 . 2 . . . . 106 Y HB3 . 15737 1 1178 . 1 1 106 106 TYR HD1 H 1 6.979 0.006 . 3 . . . . 106 Y HD . 15737 1 1179 . 1 1 106 106 TYR HD2 H 1 6.979 0.006 . 3 . . . . 106 Y HD . 15737 1 1180 . 1 1 106 106 TYR HE1 H 1 6.678 0.02 . 3 . . . . 106 Y HE . 15737 1 1181 . 1 1 106 106 TYR HE2 H 1 6.678 0.02 . 3 . . . . 106 Y HE . 15737 1 1182 . 1 1 106 106 TYR CA C 13 57.370 0.174 . 1 . . . . 106 Y CA . 15737 1 1183 . 1 1 106 106 TYR CB C 13 38.889 0.107 . 1 . . . . 106 Y CB . 15737 1 1184 . 1 1 106 106 TYR N N 15 123.172 0.052 . 1 . . . . 106 Y N . 15737 1 1185 . 1 1 107 107 ALA H H 1 8.128 0.008 . 1 . . . . 107 A HN . 15737 1 1186 . 1 1 107 107 ALA HA H 1 4.217 0.009 . 1 . . . . 107 A HA . 15737 1 1187 . 1 1 107 107 ALA HB1 H 1 1.286 0.010 . 1 . . . . 107 A HB . 15737 1 1188 . 1 1 107 107 ALA HB2 H 1 1.286 0.010 . 1 . . . . 107 A HB . 15737 1 1189 . 1 1 107 107 ALA HB3 H 1 1.286 0.010 . 1 . . . . 107 A HB . 15737 1 1190 . 1 1 107 107 ALA CA C 13 52.724 0.040 . 1 . . . . 107 A CA . 15737 1 1191 . 1 1 107 107 ALA CB C 13 19.133 0.255 . 1 . . . . 107 A CB . 15737 1 1192 . 1 1 107 107 ALA N N 15 125.520 0.069 . 1 . . . . 107 A N . 15737 1 1193 . 1 1 108 108 ASP H H 1 8.147 0.006 . 1 . . . . 108 D HN . 15737 1 1194 . 1 1 108 108 ASP HA H 1 4.511 0.011 . 1 . . . . 108 D HA . 15737 1 1195 . 1 1 108 108 ASP HB2 H 1 2.635 0.011 . 2 . . . . 108 D HB2 . 15737 1 1196 . 1 1 108 108 ASP HB3 H 1 2.553 0.004 . 2 . . . . 108 D HB3 . 15737 1 1197 . 1 1 108 108 ASP CA C 13 54.342 0.066 . 1 . . . . 108 D CA . 15737 1 1198 . 1 1 108 108 ASP CB C 13 41.240 0.111 . 1 . . . . 108 D CB . 15737 1 1199 . 1 1 108 108 ASP N N 15 119.219 0.054 . 1 . . . . 108 D N . 15737 1 1200 . 1 1 109 109 GLY H H 1 8.313 0.006 . 1 . . . . 109 G HN . 15737 1 1201 . 1 1 109 109 GLY HA2 H 1 3.946 0.003 . 2 . . . . 109 G HA2 . 15737 1 1202 . 1 1 109 109 GLY HA3 H 1 3.848 0.02 . 2 . . . . 109 G HA3 . 15737 1 1203 . 1 1 109 109 GLY CA C 13 45.692 0.089 . 1 . . . . 109 G CA . 15737 1 1204 . 1 1 109 109 GLY N N 15 109.478 0.076 . 1 . . . . 109 G N . 15737 1 1205 . 1 1 110 110 SER H H 1 8.175 0.006 . 1 . . . . 110 S HN . 15737 1 1206 . 1 1 110 110 SER HA H 1 4.286 0.010 . 1 . . . . 110 S HA . 15737 1 1207 . 1 1 110 110 SER HB2 H 1 3.824 0.02 . 2 . . . . 110 S HB2 . 15737 1 1208 . 1 1 110 110 SER HB3 H 1 3.724 0.004 . 2 . . . . 110 S HB3 . 15737 1 1209 . 1 1 110 110 SER CA C 13 59.296 0.130 . 1 . . . . 110 S CA . 15737 1 1210 . 1 1 110 110 SER CB C 13 63.825 0.2 . 1 . . . . 110 S CB . 15737 1 1211 . 1 1 110 110 SER N N 15 115.660 0.099 . 1 . . . . 110 S N . 15737 1 1212 . 1 1 111 111 HIS HA H 1 4.527 0.007 . 1 . . . . 111 H HA . 15737 1 1213 . 1 1 111 111 HIS HB2 H 1 3.053 0.009 . 2 . . . . 111 H HB2 . 15737 1 1214 . 1 1 111 111 HIS HB3 H 1 2.966 0.02 . 2 . . . . 111 H HB3 . 15737 1 1215 . 1 1 111 111 HIS CA C 13 56.109 0.2 . 1 . . . . 111 H CA . 15737 1 1216 . 1 1 111 111 HIS CB C 13 30.580 0.137 . 1 . . . . 111 H CB . 15737 1 1217 . 1 1 112 112 HIS HA H 1 4.535 0.02 . 1 . . . . 112 H HA . 15737 1 1218 . 1 1 112 112 HIS HB2 H 1 3.104 0.02 . 2 . . . . 112 H HB2 . 15737 1 1219 . 1 1 112 112 HIS HB3 H 1 2.966 0.02 . 2 . . . . 112 H HB3 . 15737 1 1220 . 1 1 112 112 HIS CA C 13 57.411 0.2 . 1 . . . . 112 H CA . 15737 1 1221 . 1 1 112 112 HIS CB C 13 30.756 0.034 . 1 . . . . 112 H CB . 15737 1 1222 . 2 2 1 1 X C1 C 13 80.767 0.2 . 1 . . . . 1 BAC C1 . 15737 1 1223 . 2 2 1 1 X C2 C 13 56.209 0.2 . 1 . . . . 1 BAC C2 . 15737 1 1224 . 2 2 1 1 X C3 C 13 77.867 0.2 . 1 . . . . 1 BAC C3 . 15737 1 1225 . 2 2 1 1 X C4 C 13 59.698 0.2 . 1 . . . . 1 BAC C4 . 15737 1 1226 . 2 2 1 1 X C5 C 13 75.838 0.2 . 1 . . . . 1 BAC C5 . 15737 1 1227 . 2 2 1 1 X C6 C 13 19.506 0.2 . 1 . . . . 1 BAC C6 . 15737 1 1228 . 2 2 1 1 X C8 C 13 25.128 0.2 . 1 . . . . 1 BAC C8 . 15737 1 1229 . 2 2 1 1 X C9 C 13 24.944 0.2 . 1 . . . . 1 BAC C9 . 15737 1 1230 . 2 2 1 1 X H8 H 1 1.960 0.003 . 1 . . . . 1 BAC H8 . 15737 1 1231 . 2 2 1 1 X H9 H 1 1.891 0.002 . 1 . . . . 1 BAC H8 . 15737 1 1232 . 2 2 1 1 X HN2 H 1 8.207 0.001 . 1 . . . . 1 BAC HN2 . 15737 1 1233 . 2 2 1 1 X HN4 H 1 8.204 0.001 . 1 . . . . 1 BAC HN4 . 15737 1 1234 . 2 2 1 1 X H1 H 1 5.027 0.005 . 1 . . . . 1 BAC H1 . 15737 1 1235 . 2 2 1 1 X H2 H 1 3.844 0.006 . 1 . . . . 1 BAC H2 . 15737 1 1236 . 2 2 1 1 X H3 H 1 3.828 0.006 . 1 . . . . 1 BAC H3 . 15737 1 1237 . 2 2 1 1 X H4 H 1 3.740 0.009 . 1 . . . . 1 BAC H4 . 15737 1 1238 . 2 2 1 1 X H5 H 1 3.463 0.004 . 1 . . . . 1 BAC H5 . 15737 1 1239 . 2 2 1 1 X H6 H 1 1.034 0.002 . 1 . . . . 1 BAC H6 . 15737 1 1240 . 2 2 2 2 A2G C1 C 13 99.600 0.2 . 1 . . . . 2 A2G C1 . 15737 1 1241 . 2 2 2 2 A2G C2 C 13 52.375 0.2 . 1 . . . . 2 A2G C2 . 15737 1 1242 . 2 2 2 2 A2G C3 C 13 69.556 0.2 . 1 . . . . 2 A2G C3 . 15737 1 1243 . 2 2 2 2 A2G C4 C 13 79.179 0.2 . 1 . . . . 2 A2G C4 . 15737 1 1244 . 2 2 2 2 A2G C5 C 13 74.275 0.2 . 1 . . . . 2 A2G C5 . 15737 1 1245 . 2 2 2 2 A2G C6 C 13 62.477 0.2 . 1 . . . . 2 A2G C6 . 15737 1 1246 . 2 2 2 2 A2G C8 C 13 25.228 0.2 . 1 . . . . 2 A2G C8 . 15737 1 1247 . 2 2 2 2 A2G H1 H 1 5.160 0.003 . 1 . . . . 2 A2G H1 . 15737 1 1248 . 2 2 2 2 A2G H2 H 1 4.160 0.009 . 1 . . . . 2 A2G H2 . 15737 1 1249 . 2 2 2 2 A2G H3 H 1 3.783 0.006 . 1 . . . . 2 A2G H3 . 15737 1 1250 . 2 2 2 2 A2G H4 H 1 3.980 0.004 . 1 . . . . 2 A2G H4 . 15737 1 1251 . 2 2 2 2 A2G H5 H 1 3.785 0.008 . 1 . . . . 2 A2G H5 . 15737 1 1252 . 2 2 2 2 A2G H61 H 1 3.674 0.002 . 2 . . . . 2 A2G H61 . 15737 1 1253 . 2 2 2 2 A2G H62 H 1 3.626 0.004 . 2 . . . . 2 A2G H62 . 15737 1 1254 . 2 2 2 2 A2G H8 H 1 1.967 0.004 . 1 . . . . 2 A2G H8 . 15737 1 1255 . 2 2 2 2 A2G HN2 H 1 8.037 0.003 . 1 . . . . 2 A2G HN2 . 15737 1 1256 . 2 2 3 3 A2G C1 C 13 101.203 0.2 . 1 . . . . 3 A2G C1 . 15737 1 1257 . 2 2 3 3 A2G C2 C 13 52.949 0.2 . 1 . . . . 3 A2G C2 . 15737 1 1258 . 2 2 3 3 A2G C3 C 13 69.439 0.2 . 1 . . . . 3 A2G C3 . 15737 1 1259 . 2 2 3 3 A2G C4 C 13 79.223 0.2 . 1 . . . . 3 A2G C4 . 15737 1 1260 . 2 2 3 3 A2G C5 C 13 73.952 0.2 . 1 . . . . 3 A2G C5 . 15737 1 1261 . 2 2 3 3 A2G C6 C 13 62.361 0.004 . 1 . . . . 3 A2G C6 . 15737 1 1262 . 2 2 3 3 A2G C8 C 13 24.783 0.2 . 1 . . . . 3 A2G C8 . 15737 1 1263 . 2 2 3 3 A2G H1 H 1 4.947 0.004 . 1 . . . . 3 A2G H1 . 15737 1 1264 . 2 2 3 3 A2G H2 H 1 4.214 0.003 . 1 . . . . 3 A2G H2 . 15737 1 1265 . 2 2 3 3 A2G H3 H 1 4.067 0.002 . 1 . . . . 3 A2G H3 . 15737 1 1266 . 2 2 3 3 A2G H4 H 1 4.054 0.003 . 1 . . . . 3 A2G H4 . 15737 1 1267 . 2 2 3 3 A2G H5 H 1 4.310 0.004 . 1 . . . . 3 A2G H5 . 15737 1 1268 . 2 2 3 3 A2G H61 H 1 3.601 0.005 . 2 . . . . 3 A2G H61 . 15737 1 1269 . 2 2 3 3 A2G H62 H 1 3.569 0.006 . 2 . . . . 3 A2G H62 . 15737 1 1270 . 2 2 3 3 A2G H8 H 1 2.016 0.002 . 1 . . . . 3 A2G H8 . 15737 1 1271 . 2 2 3 3 A2G HN2 H 1 8.318 0.001 . 1 . . . . 3 A2G HN2 . 15737 1 1272 . 2 2 4 4 A2G C1 C 13 101.463 0.2 . 1 . . . . 4 A2G C1 . 15737 1 1273 . 2 2 4 4 A2G C2 C 13 52.196 0.2 . 1 . . . . 4 A2G C2 . 15737 1 1274 . 2 2 4 4 A2G C3 C 13 79.030 0.2 . 1 . . . . 4 A2G C3 . 15737 1 1275 . 2 2 4 4 A2G C4 C 13 77.243 0.2 . 1 . . . . 4 A2G C4 . 15737 1 1276 . 2 2 4 4 A2G C5 C 13 74.107 0.2 . 1 . . . . 4 A2G C5 . 15737 1 1277 . 2 2 4 4 A2G C6 C 13 62.102 0.002 . 1 . . . . 4 A2G C6 . 15737 1 1278 . 2 2 4 4 A2G C8 C 13 24.962 0.2 . 1 . . . . 4 A2G C8 . 15737 1 1279 . 2 2 4 4 A2G H1 H 1 4.941 0.005 . 1 . . . . 4 A2G H1 . 15737 1 1280 . 2 2 4 4 A2G H2 H 1 4.460 0.003 . 1 . . . . 4 A2G H2 . 15737 1 1281 . 2 2 4 4 A2G H3 H 1 4.093 0.004 . 1 . . . . 4 A2G H3 . 15737 1 1282 . 2 2 4 4 A2G H4 H 1 4.278 0.003 . 1 . . . . 4 A2G H4 . 15737 1 1283 . 2 2 4 4 A2G H5 H 1 4.370 0.004 . 1 . . . . 4 A2G H5 . 15737 1 1284 . 2 2 4 4 A2G H61 H 1 3.570 0.002 . 2 . . . . 4 A2G H61 . 15737 1 1285 . 2 2 4 4 A2G H62 H 1 3.491 0.003 . 2 . . . . 4 A2G H62 . 15737 1 1286 . 2 2 4 4 A2G H8 H 1 1.986 0.002 . 1 . . . . 4 A2G H8 . 15737 1 1287 . 2 2 4 4 A2G HN2 H 1 8.311 0.001 . 1 . . . . 4 A2G HN2 . 15737 1 1288 . 2 2 5 5 A2G C1 C 13 99.853 0.2 . 1 . . . . 5 A2G C1 . 15737 1 1289 . 2 2 5 5 A2G C2 C 13 52.955 0.2 . 1 . . . . 5 A2G C2 . 15737 1 1290 . 2 2 5 5 A2G C3 C 13 69.552 0.2 . 1 . . . . 5 A2G C3 . 15737 1 1291 . 2 2 5 5 A2G C4 C 13 78.969 0.2 . 1 . . . . 5 A2G C4 . 15737 1 1292 . 2 2 5 5 A2G C5 C 13 73.352 0.2 . 1 . . . . 5 A2G C5 . 15737 1 1293 . 2 2 5 5 A2G C6 C 13 61.598 0.016 . 1 . . . . 5 A2G C6 . 15737 1 1294 . 2 2 5 5 A2G C8 C 13 24.896 0.2 . 1 . . . . 5 A2G C8 . 15737 1 1295 . 2 2 5 5 A2G H1 H 1 5.054 0.003 . 1 . . . . 5 A2G H1 . 15737 1 1296 . 2 2 5 5 A2G H2 H 1 4.211 0.003 . 1 . . . . 5 A2G H2 . 15737 1 1297 . 2 2 5 5 A2G H3 H 1 4.108 0.004 . 1 . . . . 5 A2G H3 . 15737 1 1298 . 2 2 5 5 A2G H4 H 1 4.054 0.004 . 1 . . . . 5 A2G H4 . 15737 1 1299 . 2 2 5 5 A2G H5 H 1 4.412 0.003 . 1 . . . . 5 A2G H5 . 15737 1 1300 . 2 2 5 5 A2G H61 H 1 3.700 0.005 . 2 . . . . 5 A2G H61 . 15737 1 1301 . 2 2 5 5 A2G H62 H 1 3.593 0.002 . 2 . . . . 5 A2G H62 . 15737 1 1302 . 2 2 5 5 A2G H8 H 1 1.996 0.002 . 1 . . . . 5 A2G H8 . 15737 1 1303 . 2 2 5 5 A2G HN2 H 1 8.215 0.002 . 1 . . . . 5 A2G HN2 . 15737 1 1304 . 2 2 6 6 BGC C1 C 13 107.680 0.2 . 1 . . . . 5' BGC C1 . 15737 1 1305 . 2 2 6 6 BGC C2 C 13 75.765 0.2 . 1 . . . . 5' BGC C2 . 15737 1 1306 . 2 2 6 6 BGC C3 C 13 78.538 0.2 . 1 . . . . 5' BGC C3 . 15737 1 1307 . 2 2 6 6 BGC C4 C 13 72.666 0.2 . 1 . . . . 5' BGC C4 . 15737 1 1308 . 2 2 6 6 BGC C5 C 13 78.592 0.2 . 1 . . . . 5' BGC C5 . 15737 1 1309 . 2 2 6 6 BGC C6 C 13 63.457 0.015 . 1 . . . . 5' BGC C6 . 15737 1 1310 . 2 2 6 6 BGC H1 H 1 4.466 0.004 . 1 . . . . 5' BGC H1 . 15737 1 1311 . 2 2 6 6 BGC H2 H 1 3.246 0.003 . 1 . . . . 5' BGC H2 . 15737 1 1312 . 2 2 6 6 BGC H3 H 1 3.416 0.002 . 1 . . . . 5' BGC H3 . 15737 1 1313 . 2 2 6 6 BGC H4 H 1 3.312 0.005 . 1 . . . . 5' BGC H4 . 15737 1 1314 . 2 2 6 6 BGC H5 H 1 3.351 0.003 . 1 . . . . 5' BGC H5 . 15737 1 1315 . 2 2 6 6 BGC H61 H 1 3.839 0.003 . 2 . . . . 5' BGC H61 . 15737 1 1316 . 2 2 6 6 BGC H62 H 1 3.635 0.004 . 2 . . . . 5' BGC H62 . 15737 1 1317 . 2 2 7 7 A2G C1 C 13 101.206 0.2 . 1 . . . . 6 A2G C1 . 15737 1 1318 . 2 2 7 7 A2G C2 C 13 53.002 0.2 . 1 . . . . 6 A2G C2 . 15737 1 1319 . 2 2 7 7 A2G C3 C 13 70.040 0.2 . 1 . . . . 6 A2G C3 . 15737 1 1320 . 2 2 7 7 A2G C4 C 13 71.239 0.2 . 1 . . . . 6 A2G C4 . 15737 1 1321 . 2 2 7 7 A2G C5 C 13 73.653 0.2 . 1 . . . . 6 A2G C5 . 15737 1 1322 . 2 2 7 7 A2G C6 C 13 62.486 0.014 . 1 . . . . 6 A2G C6 . 15737 1 1323 . 2 2 7 7 A2G C8 C 13 24.737 0.2 . 1 . . . . 6 A2G C8 . 15737 1 1324 . 2 2 7 7 A2G H1 H 1 4.997 0.003 . 1 . . . . 6 A2G H1 . 15737 1 1325 . 2 2 7 7 A2G H2 H 1 4.161 0.002 . 1 . . . . 6 A2G H2 . 15737 1 1326 . 2 2 7 7 A2G H3 H 1 3.977 0.002 . 1 . . . . 6 A2G H3 . 15737 1 1327 . 2 2 7 7 A2G H4 H 1 3.983 0.003 . 1 . . . . 6 A2G H4 . 15737 1 1328 . 2 2 7 7 A2G H5 H 1 4.316 0.003 . 1 . . . . 6 A2G H5 . 15737 1 1329 . 2 2 7 7 A2G H61 H 1 3.646 0.005 . 2 . . . . 6 A2G H61 . 15737 1 1330 . 2 2 7 7 A2G H62 H 1 3.637 0.02 . 2 . . . . 6 A2G H62 . 15737 1 1331 . 2 2 7 7 A2G H8 H 1 2.003 0.002 . 1 . . . . 6 A2G H8 . 15737 1 1332 . 2 2 7 7 A2G HN2 H 1 8.238 0.001 . 1 . . . . 6 A2G HN2 . 15737 1 stop_ save_