data_18702 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18702 _Entry.Title ; RNA BINDING PROTEIN Solution structure of the third KH domain of KSRP in complex with the G-rich target sequence. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-09-05 _Entry.Accession_date 2012-09-05 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Giuseppe Nicastro . . . 18702 2 M. Garcia-mayoral . F. . 18702 3 D. Hollingworth . . . 18702 4 G. Kelly . . . 18702 5 S. Martin . R. . 18702 6 P. Briata . . . 18702 7 R. Gherzi . . . 18702 8 A. Ramos . . . 18702 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 1 'not applicable' 'not applicable' . 18702 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . NicastroGroup . 18702 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'PROTEIN-RNA COMPLEX' . 18702 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18702 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 235 18702 '1H chemical shifts' 523 18702 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 . . 2013-02-25 2012-09-05 update BMRB 'update entry citation' 18702 1 . . 2012-11-05 2012-09-05 original author 'original release' 18702 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 4B8T 'BMRB Entry Tracking System' 18702 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18702 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23142982 _Citation.Full_citation . _Citation.Title 'Noncanonical G recognition mediates KSRP regulation of let-7 biogenesis.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full 'Nature structural & molecular biology' _Citation.Journal_volume 19 _Citation.Journal_issue 12 _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 1282 _Citation.Page_last 1286 _Citation.Year 2012 _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 Giuseppe Nicastro . . . 18702 1 2 'Maria Flor' Garcia-Mayoral . . . 18702 1 3 David Hollingworth . . . 18702 1 4 Geoff Kelly . . . 18702 1 5 Stephen Martin . R. . 18702 1 6 Paola Briata . . . 18702 1 7 Roberto Gherzi . . . 18702 1 8 Andres Ramos . . . 18702 1 stop_ save_ save_reference_citation _Citation.Sf_category citations _Citation.Sf_framecode reference_citation _Citation.Entry_ID 18702 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'THE STRUCTURE OF THE C-TERMINAL KH DOMAINS OF KSRP REVEALS A NONCANONICAL MOTIF IMPORTANT FOR MRNA DEGRADATION' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 M Garcia-mayoral . F. . 18702 2 2 D Hollingworth . . . 18702 2 3 L Masino . . . 18702 2 4 I Diaz-moreno . . . 18702 2 5 G Kelly . . . 18702 2 6 R Gherzi . . . 18702 2 7 C Chou . F. . 18702 2 8 C Chen . Y. . 18702 2 9 A Ramos . . . 18702 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18702 _Assembly.ID 1 _Assembly.Name 'RNA BINDING PROTEIN Solution structure of the third KH domain of KSRP in complex with the G-rich target sequence.' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 12593.4978 _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 'KH-TYPE SPLICING REGULATORY PROTEIN' 1 $KH-TYPE_SPLICING_REGULATORY_PROTEIN A . yes native no no . . . 18702 1 2 5'-R(*AP*GP*GP*GP*UP)-3' 2 $5'-R(*AP*GP*GP*GP*UP)-3' B . no native no no . . . 18702 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_KH-TYPE_SPLICING_REGULATORY_PROTEIN _Entity.Sf_category entity _Entity.Sf_framecode KH-TYPE_SPLICING_REGULATORY_PROTEIN _Entity.Entry_ID 18702 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name KH-TYPE_SPLICING_REGULATORY_PROTEIN _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 ; GAMAYGSRIGGGIDVPVPRH SVGVVIGRSGEMIKKIQNDA GVRIQFKQDDGTGPEKIAHI MGPPDRCEHAARIINDLLQS LRSGPPGPPGGPGMPPGGRG RGRGQG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'THIRD KH DOMAIN' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10903.4744 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 yes UNP FUBP2_HUMAN . Q92945 . . . . . . . . . . . . . . 18702 1 2 no PDB 2HH3 . "Solution Structure Of The Third Kh Domain Of Ksrp" . . . . . 100.00 106 99.06 99.06 6.70e-64 . . . . 18702 1 3 no PDB 4B8T . "Rna Binding Protein Solution Structure Of The Third Kh Domain Of Ksrp In Complex With The G-rich Target Sequence" . . . . . 100.00 106 100.00 100.00 4.89e-65 . . . . 18702 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 18702 1 2 . ALA . 18702 1 3 . MET . 18702 1 4 . ALA . 18702 1 5 . TYR . 18702 1 6 . GLY . 18702 1 7 . SER . 18702 1 8 . ARG . 18702 1 9 . ILE . 18702 1 10 . GLY . 18702 1 11 . GLY . 18702 1 12 . GLY . 18702 1 13 . ILE . 18702 1 14 . ASP . 18702 1 15 . VAL . 18702 1 16 . PRO . 18702 1 17 . VAL . 18702 1 18 . PRO . 18702 1 19 . ARG . 18702 1 20 . HIS . 18702 1 21 . SER . 18702 1 22 . VAL . 18702 1 23 . GLY . 18702 1 24 . VAL . 18702 1 25 . VAL . 18702 1 26 . ILE . 18702 1 27 . GLY . 18702 1 28 . ARG . 18702 1 29 . SER . 18702 1 30 . GLY . 18702 1 31 . GLU . 18702 1 32 . MET . 18702 1 33 . ILE . 18702 1 34 . LYS . 18702 1 35 . LYS . 18702 1 36 . ILE . 18702 1 37 . GLN . 18702 1 38 . ASN . 18702 1 39 . ASP . 18702 1 40 . ALA . 18702 1 41 . GLY . 18702 1 42 . VAL . 18702 1 43 . ARG . 18702 1 44 . ILE . 18702 1 45 . GLN . 18702 1 46 . PHE . 18702 1 47 . LYS . 18702 1 48 . GLN . 18702 1 49 . ASP . 18702 1 50 . ASP . 18702 1 51 . GLY . 18702 1 52 . THR . 18702 1 53 . GLY . 18702 1 54 . PRO . 18702 1 55 . GLU . 18702 1 56 . LYS . 18702 1 57 . ILE . 18702 1 58 . ALA . 18702 1 59 . HIS . 18702 1 60 . ILE . 18702 1 61 . MET . 18702 1 62 . GLY . 18702 1 63 . PRO . 18702 1 64 . PRO . 18702 1 65 . ASP . 18702 1 66 . ARG . 18702 1 67 . CYS . 18702 1 68 . GLU . 18702 1 69 . HIS . 18702 1 70 . ALA . 18702 1 71 . ALA . 18702 1 72 . ARG . 18702 1 73 . ILE . 18702 1 74 . ILE . 18702 1 75 . ASN . 18702 1 76 . ASP . 18702 1 77 . LEU . 18702 1 78 . LEU . 18702 1 79 . GLN . 18702 1 80 . SER . 18702 1 81 . LEU . 18702 1 82 . ARG . 18702 1 83 . SER . 18702 1 84 . GLY . 18702 1 85 . PRO . 18702 1 86 . PRO . 18702 1 87 . GLY . 18702 1 88 . PRO . 18702 1 89 . PRO . 18702 1 90 . GLY . 18702 1 91 . GLY . 18702 1 92 . PRO . 18702 1 93 . GLY . 18702 1 94 . MET . 18702 1 95 . PRO . 18702 1 96 . PRO . 18702 1 97 . GLY . 18702 1 98 . GLY . 18702 1 99 . ARG . 18702 1 100 . GLY . 18702 1 101 . ARG . 18702 1 102 . GLY . 18702 1 103 . ARG . 18702 1 104 . GLY . 18702 1 105 . GLN . 18702 1 106 . GLY . 18702 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18702 1 . ALA 2 2 18702 1 . MET 3 3 18702 1 . ALA 4 4 18702 1 . TYR 5 5 18702 1 . GLY 6 6 18702 1 . SER 7 7 18702 1 . ARG 8 8 18702 1 . ILE 9 9 18702 1 . GLY 10 10 18702 1 . GLY 11 11 18702 1 . GLY 12 12 18702 1 . ILE 13 13 18702 1 . ASP 14 14 18702 1 . VAL 15 15 18702 1 . PRO 16 16 18702 1 . VAL 17 17 18702 1 . PRO 18 18 18702 1 . ARG 19 19 18702 1 . HIS 20 20 18702 1 . SER 21 21 18702 1 . VAL 22 22 18702 1 . GLY 23 23 18702 1 . VAL 24 24 18702 1 . VAL 25 25 18702 1 . ILE 26 26 18702 1 . GLY 27 27 18702 1 . ARG 28 28 18702 1 . SER 29 29 18702 1 . GLY 30 30 18702 1 . GLU 31 31 18702 1 . MET 32 32 18702 1 . ILE 33 33 18702 1 . LYS 34 34 18702 1 . LYS 35 35 18702 1 . ILE 36 36 18702 1 . GLN 37 37 18702 1 . ASN 38 38 18702 1 . ASP 39 39 18702 1 . ALA 40 40 18702 1 . GLY 41 41 18702 1 . VAL 42 42 18702 1 . ARG 43 43 18702 1 . ILE 44 44 18702 1 . GLN 45 45 18702 1 . PHE 46 46 18702 1 . LYS 47 47 18702 1 . GLN 48 48 18702 1 . ASP 49 49 18702 1 . ASP 50 50 18702 1 . GLY 51 51 18702 1 . THR 52 52 18702 1 . GLY 53 53 18702 1 . PRO 54 54 18702 1 . GLU 55 55 18702 1 . LYS 56 56 18702 1 . ILE 57 57 18702 1 . ALA 58 58 18702 1 . HIS 59 59 18702 1 . ILE 60 60 18702 1 . MET 61 61 18702 1 . GLY 62 62 18702 1 . PRO 63 63 18702 1 . PRO 64 64 18702 1 . ASP 65 65 18702 1 . ARG 66 66 18702 1 . CYS 67 67 18702 1 . GLU 68 68 18702 1 . HIS 69 69 18702 1 . ALA 70 70 18702 1 . ALA 71 71 18702 1 . ARG 72 72 18702 1 . ILE 73 73 18702 1 . ILE 74 74 18702 1 . ASN 75 75 18702 1 . ASP 76 76 18702 1 . LEU 77 77 18702 1 . LEU 78 78 18702 1 . GLN 79 79 18702 1 . SER 80 80 18702 1 . LEU 81 81 18702 1 . ARG 82 82 18702 1 . SER 83 83 18702 1 . GLY 84 84 18702 1 . PRO 85 85 18702 1 . PRO 86 86 18702 1 . GLY 87 87 18702 1 . PRO 88 88 18702 1 . PRO 89 89 18702 1 . GLY 90 90 18702 1 . GLY 91 91 18702 1 . PRO 92 92 18702 1 . GLY 93 93 18702 1 . MET 94 94 18702 1 . PRO 95 95 18702 1 . PRO 96 96 18702 1 . GLY 97 97 18702 1 . GLY 98 98 18702 1 . ARG 99 99 18702 1 . GLY 100 100 18702 1 . ARG 101 101 18702 1 . GLY 102 102 18702 1 . ARG 103 103 18702 1 . GLY 104 104 18702 1 . GLN 105 105 18702 1 . GLY 106 106 18702 1 stop_ save_ save_5'-R(*AP*GP*GP*GP*UP)-3' _Entity.Sf_category entity _Entity.Sf_framecode 5'-R(*AP*GP*GP*GP*UP)-3' _Entity.Entry_ID 18702 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 5'-R(*AP*GP*GP*GP*UP)-3' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code AGGGU _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality yes _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 5 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1690.0234 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . yes PDB 4B8T . 4B8T . . . . . . . . . . . . . . 18702 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . A . 18702 2 2 . G . 18702 2 3 . G . 18702 2 4 . G . 18702 2 5 . U . 18702 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 . A 1 1 18702 2 . G 2 2 18702 2 . G 3 3 18702 2 . G 4 4 18702 2 . U 5 5 18702 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 18702 _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 $KH-TYPE_SPLICING_REGULATORY_PROTEIN . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18702 1 2 2 $5'-R(*AP*GP*GP*GP*UP)-3' . . organism . 'SYNTHETIC CONSTRUCT' . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18702 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 18702 _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 $KH-TYPE_SPLICING_REGULATORY_PROTEIN . 'recombinant technology' 'ESCHERICHIA COLI' 'ESCHERICHIA COLI' . . ESCHERICHIA COLI . . . . . . . . . . . . . . . . . . . . . . . 18702 1 2 2 $5'-R(*AP*GP*GP*GP*UP)-3' . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18702 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18702 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '300 uM' _Sample.Aggregate_sample_number . _Sample.Solvent_system '10% water/90% 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 'KH-TYPE SPLICING REGULATORY PROTEIN' '[U-13C; U-15N]' . . 1 $KH-TYPE_SPLICING_REGULATORY_PROTEIN . . 300 . . uM . . . . 18702 1 2 5'-R(*AP*GP*GP*GP*UP)-3' '[U-13C; U-15N]' . . 2 $5'-R(*AP*GP*GP*GP*UP)-3' . . 300 . . uM . . . . 18702 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18702 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH [7.4], temp [298], pressure [1], ionStrength [100.0]' 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' 100.000 . mM 18702 1 pH 7.400 . pH 18702 1 pressure 1.000 . atm 18702 1 temperature 298.000 . K 18702 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18702 _Software.ID 1 _Software.Name ARIA _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 18702 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18702 1 stop_ save_ save_AutoDep _Software.Sf_category software _Software.Sf_framecode AutoDep _Software.Entry_ID 18702 _Software.ID 2 _Software.Name AutoDep _Software.Version 4.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID PDBe . . 18702 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18702 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18702 _Software.ID 3 _Software.Name CNS _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- . . 18702 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18702 3 stop_ save_ save_NMRPIPE _Software.Sf_category software _Software.Sf_framecode NMRPIPE _Software.Entry_ID 18702 _Software.ID 4 _Software.Name NMRPipe _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18702 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18702 4 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18702 _Software.ID 5 _Software.Name SPARKY _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18702 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18702 5 stop_ save_ save_UXNMR _Software.Sf_category software _Software.Sf_framecode UXNMR _Software.Entry_ID 18702 _Software.ID 6 _Software.Name UXNMR _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18702 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18702 6 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 18702 _Software.ID 7 _Software.Name VNMR _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18702 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18702 7 stop_ save_ save_method_ARIA _Method.Sf_category method _Method.Sf_framecode method_ARIA _Method.Entry_ID 18702 _Method.ID 1 _Method.Derivation_type . _Method.Details ARIA _Method.Computer_ID . _Method.Computer_label . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance-700 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_Avance-700 _NMR_spectrometer.Entry_ID 18702 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 18702 _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 Bruker_Avance-700 Bruker Avance . 700 . . . 18702 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 18702 _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 Experiment-1 no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Bruker_Avance-700 . . . . . . . . . . . . . . . . 18702 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18702 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $Bruker_Avance-700 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID 1 _NMR_spec_expt.Method_label $method_ARIA _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 18702 _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 H 1 HDO proton . . . . ppm 4.754 internal indirect 1 . . . . . . . . . 18702 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 18702 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4b8t/ebi/finale-chemical-shift-vuoto.txt.csh' _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 Experiment-1 1 $sample_1 solution 18702 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 ALA HA H 1 4.299 0.001 . . . . . . 4 A HA . 18702 1 2 . 1 1 4 4 ALA HB1 H 1 1.294 0.005 . . . . . . 4 A QB . 18702 1 3 . 1 1 4 4 ALA HB2 H 1 1.294 0.005 . . . . . . 4 A QB . 18702 1 4 . 1 1 4 4 ALA HB3 H 1 1.294 0.005 . . . . . . 4 A QB . 18702 1 5 . 1 1 4 4 ALA CA C 13 52.214 0.005 . . . . . . 4 A CA . 18702 1 6 . 1 1 4 4 ALA CB C 13 19.291 0.005 . . . . . . 4 A CB . 18702 1 7 . 1 1 5 5 TYR HA H 1 4.516 0.001 . . . . . . 5 Y HA . 18702 1 8 . 1 1 5 5 TYR HB2 H 1 3.054 0.002 . . . . . . 5 Y HB2 . 18702 1 9 . 1 1 5 5 TYR HB3 H 1 2.937 0.004 . . . . . . 5 Y HB3 . 18702 1 10 . 1 1 5 5 TYR HD1 H 1 7.093 0.004 . . . . . . 5 Y QD . 18702 1 11 . 1 1 5 5 TYR HD2 H 1 7.093 0.004 . . . . . . 5 Y QD . 18702 1 12 . 1 1 5 5 TYR CA C 13 58.143 0.079 . . . . . . 5 Y CA . 18702 1 13 . 1 1 5 5 TYR CB C 13 38.881 0.023 . . . . . . 5 Y CB . 18702 1 14 . 1 1 8 8 ARG HA H 1 4.432 0.006 . . . . . . 8 R HA . 18702 1 15 . 1 1 8 8 ARG HB2 H 1 1.859 0.007 . . . . . . 8 R HB2 . 18702 1 16 . 1 1 8 8 ARG HB3 H 1 1.745 0.004 . . . . . . 8 R HB3 . 18702 1 17 . 1 1 8 8 ARG HG2 H 1 1.605 0.002 . . . . . . 8 R QG . 18702 1 18 . 1 1 8 8 ARG HG3 H 1 1.605 0.002 . . . . . . 8 R QG . 18702 1 19 . 1 1 8 8 ARG HD2 H 1 3.181 0.006 . . . . . . 8 R QD . 18702 1 20 . 1 1 8 8 ARG HD3 H 1 3.181 0.006 . . . . . . 8 R QD . 18702 1 21 . 1 1 8 8 ARG CA C 13 56.211 0.005 . . . . . . 8 R CA . 18702 1 22 . 1 1 8 8 ARG CB C 13 30.706 0.033 . . . . . . 8 R CB . 18702 1 23 . 1 1 8 8 ARG CD C 13 43.318 0.002 . . . . . . 8 R CD . 18702 1 24 . 1 1 9 9 ILE HA H 1 4.200 0.003 . . . . . . 9 I HA . 18702 1 25 . 1 1 9 9 ILE HB H 1 1.825 0.006 . . . . . . 9 I HB . 18702 1 26 . 1 1 9 9 ILE HG12 H 1 1.435 0.004 . . . . . . 9 I HG12 . 18702 1 27 . 1 1 9 9 ILE HG13 H 1 1.131 0.006 . . . . . . 9 I HG13 . 18702 1 28 . 1 1 9 9 ILE HG21 H 1 0.870 0.004 . . . . . . 9 I QG2 . 18702 1 29 . 1 1 9 9 ILE HG22 H 1 0.870 0.004 . . . . . . 9 I QG2 . 18702 1 30 . 1 1 9 9 ILE HG23 H 1 0.870 0.004 . . . . . . 9 I QG2 . 18702 1 31 . 1 1 9 9 ILE HD11 H 1 0.827 0.005 . . . . . . 9 I QD1 . 18702 1 32 . 1 1 9 9 ILE HD12 H 1 0.827 0.005 . . . . . . 9 I QD1 . 18702 1 33 . 1 1 9 9 ILE HD13 H 1 0.827 0.005 . . . . . . 9 I QD1 . 18702 1 34 . 1 1 9 9 ILE CA C 13 61.180 0.058 . . . . . . 9 I CA . 18702 1 35 . 1 1 9 9 ILE CB C 13 38.884 0.046 . . . . . . 9 I CB . 18702 1 36 . 1 1 9 9 ILE CG1 C 13 27.295 0.034 . . . . . . 9 I CG1 . 18702 1 37 . 1 1 9 9 ILE CG2 C 13 17.332 0.028 . . . . . . 9 I CG2 . 18702 1 38 . 1 1 9 9 ILE CD1 C 13 12.913 0.009 . . . . . . 9 I CD1 . 18702 1 39 . 1 1 10 10 GLY HA2 H 1 4.056 0.002 . . . . . . 10 G HA2 . 18702 1 40 . 1 1 10 10 GLY HA3 H 1 4.168 0.010 . . . . . . 10 G HA3 . 18702 1 41 . 1 1 10 10 GLY CA C 13 44.311 0.009 . . . . . . 10 G CA . 18702 1 42 . 1 1 12 12 GLY HA2 H 1 4.286 0.006 . . . . . . 12 G HA2 . 18702 1 43 . 1 1 12 12 GLY HA3 H 1 4.423 0.005 . . . . . . 12 G HA3 . 18702 1 44 . 1 1 12 12 GLY CA C 13 45.909 0.063 . . . . . . 12 G CA . 18702 1 45 . 1 1 13 13 ILE H H 1 8.491 0.005 . . . . . . 13 I HN . 18702 1 46 . 1 1 13 13 ILE HA H 1 4.712 0.004 . . . . . . 13 I HA . 18702 1 47 . 1 1 13 13 ILE HB H 1 1.638 0.008 . . . . . . 13 I HB . 18702 1 48 . 1 1 13 13 ILE HG12 H 1 1.275 0.011 . . . . . . 13 I HG12 . 18702 1 49 . 1 1 13 13 ILE HG13 H 1 0.840 0.004 . . . . . . 13 I HG13 . 18702 1 50 . 1 1 13 13 ILE HG21 H 1 0.815 0.004 . . . . . . 13 I QG2 . 18702 1 51 . 1 1 13 13 ILE HG22 H 1 0.815 0.004 . . . . . . 13 I QG2 . 18702 1 52 . 1 1 13 13 ILE HG23 H 1 0.815 0.004 . . . . . . 13 I QG2 . 18702 1 53 . 1 1 13 13 ILE HD11 H 1 0.633 0.005 . . . . . . 13 I QD1 . 18702 1 54 . 1 1 13 13 ILE HD12 H 1 0.633 0.005 . . . . . . 13 I QD1 . 18702 1 55 . 1 1 13 13 ILE HD13 H 1 0.633 0.005 . . . . . . 13 I QD1 . 18702 1 56 . 1 1 13 13 ILE CB C 13 42.565 0.030 . . . . . . 13 I CB . 18702 1 57 . 1 1 13 13 ILE CG1 C 13 26.644 0.037 . . . . . . 13 I CG1 . 18702 1 58 . 1 1 13 13 ILE CG2 C 13 17.626 0.017 . . . . . . 13 I CG2 . 18702 1 59 . 1 1 13 13 ILE CD1 C 13 13.432 0.028 . . . . . . 13 I CD1 . 18702 1 60 . 1 1 14 14 ASP H H 1 8.448 0.009 . . . . . . 14 D HN . 18702 1 61 . 1 1 14 14 ASP HA H 1 5.537 0.002 . . . . . . 14 D HA . 18702 1 62 . 1 1 14 14 ASP HB2 H 1 2.558 0.003 . . . . . . 14 D HB2 . 18702 1 63 . 1 1 14 14 ASP HB3 H 1 2.320 0.002 . . . . . . 14 D HB3 . 18702 1 64 . 1 1 14 14 ASP CA C 13 52.854 0.046 . . . . . . 14 D CA . 18702 1 65 . 1 1 14 14 ASP CB C 13 42.651 0.023 . . . . . . 14 D CB . 18702 1 66 . 1 1 15 15 VAL H H 1 9.227 0.006 . . . . . . 15 V HN . 18702 1 67 . 1 1 15 15 VAL HA H 1 4.627 0.007 . . . . . . 15 V HA . 18702 1 68 . 1 1 15 15 VAL HB H 1 1.930 0.003 . . . . . . 15 V HB . 18702 1 69 . 1 1 15 15 VAL HG11 H 1 0.802 0.008 . . . . . . 15 V QG1 . 18702 1 70 . 1 1 15 15 VAL HG12 H 1 0.802 0.008 . . . . . . 15 V QG1 . 18702 1 71 . 1 1 15 15 VAL HG13 H 1 0.802 0.008 . . . . . . 15 V QG1 . 18702 1 72 . 1 1 15 15 VAL HG21 H 1 0.832 0.004 . . . . . . 15 V QG2 . 18702 1 73 . 1 1 15 15 VAL HG22 H 1 0.832 0.004 . . . . . . 15 V QG2 . 18702 1 74 . 1 1 15 15 VAL HG23 H 1 0.832 0.004 . . . . . . 15 V QG2 . 18702 1 75 . 1 1 15 15 VAL CA C 13 58.630 0.044 . . . . . . 15 V CA . 18702 1 76 . 1 1 15 15 VAL CB C 13 35.211 0.041 . . . . . . 15 V CB . 18702 1 77 . 1 1 15 15 VAL CG1 C 13 21.639 0.076 . . . . . . 15 V CG1 . 18702 1 78 . 1 1 15 15 VAL CG2 C 13 20.628 0.045 . . . . . . 15 V CG2 . 18702 1 79 . 1 1 16 16 PRO HA H 1 4.776 0.004 . . . . . . 16 P HA . 18702 1 80 . 1 1 16 16 PRO HB2 H 1 1.964 0.005 . . . . . . 16 P HB2 . 18702 1 81 . 1 1 16 16 PRO HB3 H 1 1.745 0.003 . . . . . . 16 P HB3 . 18702 1 82 . 1 1 16 16 PRO HG2 H 1 2.149 0.003 . . . . . . 16 P HG2 . 18702 1 83 . 1 1 16 16 PRO HG3 H 1 1.926 0.004 . . . . . . 16 P HG3 . 18702 1 84 . 1 1 16 16 PRO HD2 H 1 3.788 0.006 . . . . . . 16 P HD2 . 18702 1 85 . 1 1 16 16 PRO HD3 H 1 3.744 0.006 . . . . . . 16 P HD3 . 18702 1 86 . 1 1 16 16 PRO CB C 13 32.021 0.061 . . . . . . 16 P CB . 18702 1 87 . 1 1 16 16 PRO CG C 13 27.115 0.043 . . . . . . 16 P CG . 18702 1 88 . 1 1 16 16 PRO CD C 13 51.008 0.054 . . . . . . 16 P CD . 18702 1 89 . 1 1 17 17 VAL H H 1 9.135 0.004 . . . . . . 17 V HN . 18702 1 90 . 1 1 17 17 VAL HA H 1 4.541 0.003 . . . . . . 17 V HA . 18702 1 91 . 1 1 17 17 VAL HB H 1 2.044 0.005 . . . . . . 17 V HB . 18702 1 92 . 1 1 17 17 VAL HG11 H 1 0.962 0.005 . . . . . . 17 V QG1 . 18702 1 93 . 1 1 17 17 VAL HG12 H 1 0.962 0.005 . . . . . . 17 V QG1 . 18702 1 94 . 1 1 17 17 VAL HG13 H 1 0.962 0.005 . . . . . . 17 V QG1 . 18702 1 95 . 1 1 17 17 VAL HG21 H 1 0.869 0.003 . . . . . . 17 V QG2 . 18702 1 96 . 1 1 17 17 VAL HG22 H 1 0.869 0.003 . . . . . . 17 V QG2 . 18702 1 97 . 1 1 17 17 VAL HG23 H 1 0.869 0.003 . . . . . . 17 V QG2 . 18702 1 98 . 1 1 17 17 VAL CA C 13 58.578 0.026 . . . . . . 17 V CA . 18702 1 99 . 1 1 17 17 VAL CB C 13 35.736 0.041 . . . . . . 17 V CB . 18702 1 100 . 1 1 17 17 VAL CG1 C 13 21.178 0.027 . . . . . . 17 V CG1 . 18702 1 101 . 1 1 17 17 VAL CG2 C 13 21.217 0.024 . . . . . . 17 V CG2 . 18702 1 102 . 1 1 18 18 PRO HA H 1 4.427 0.004 . . . . . . 18 P HA . 18702 1 103 . 1 1 18 18 PRO HB2 H 1 2.298 0.007 . . . . . . 18 P HB2 . 18702 1 104 . 1 1 18 18 PRO HB3 H 1 1.359 0.005 . . . . . . 18 P HB3 . 18702 1 105 . 1 1 18 18 PRO HG2 H 1 2.080 0.004 . . . . . . 18 P QG . 18702 1 106 . 1 1 18 18 PRO HG3 H 1 2.080 0.004 . . . . . . 18 P QG . 18702 1 107 . 1 1 18 18 PRO HD2 H 1 3.977 0.003 . . . . . . 18 P HD2 . 18702 1 108 . 1 1 18 18 PRO HD3 H 1 3.420 0.006 . . . . . . 18 P HD3 . 18702 1 109 . 1 1 18 18 PRO CA C 13 63.452 0.069 . . . . . . 18 P CA . 18702 1 110 . 1 1 18 18 PRO CB C 13 31.772 0.041 . . . . . . 18 P CB . 18702 1 111 . 1 1 18 18 PRO CG C 13 27.937 0.042 . . . . . . 18 P CG . 18702 1 112 . 1 1 18 18 PRO CD C 13 51.546 0.042 . . . . . . 18 P CD . 18702 1 113 . 1 1 19 19 ARG H H 1 8.641 0.006 . . . . . . 19 R HN . 18702 1 114 . 1 1 19 19 ARG HA H 1 3.743 0.003 . . . . . . 19 R HA . 18702 1 115 . 1 1 19 19 ARG HB2 H 1 1.720 0.004 . . . . . . 19 R HB2 . 18702 1 116 . 1 1 19 19 ARG HB3 H 1 1.663 0.005 . . . . . . 19 R HB3 . 18702 1 117 . 1 1 19 19 ARG HG2 H 1 1.492 0.002 . . . . . . 19 R HG2 . 18702 1 118 . 1 1 19 19 ARG HG3 H 1 1.374 0.005 . . . . . . 19 R HG3 . 18702 1 119 . 1 1 19 19 ARG HD2 H 1 3.313 0.003 . . . . . . 19 R HD2 . 18702 1 120 . 1 1 19 19 ARG HD3 H 1 3.112 0.002 . . . . . . 19 R HD3 . 18702 1 121 . 1 1 19 19 ARG CA C 13 60.633 0.056 . . . . . . 19 R CA . 18702 1 122 . 1 1 19 19 ARG CB C 13 29.860 0.012 . . . . . . 19 R CB . 18702 1 123 . 1 1 19 19 ARG CG C 13 28.678 0.033 . . . . . . 19 R CG . 18702 1 124 . 1 1 19 19 ARG CD C 13 42.620 0.028 . . . . . . 19 R CD . 18702 1 125 . 1 1 20 20 HIS HA H 1 4.634 0.005 . . . . . . 20 H HA . 18702 1 126 . 1 1 20 20 HIS HB2 H 1 3.261 0.004 . . . . . . 20 H HB2 . 18702 1 127 . 1 1 20 20 HIS HB3 H 1 3.184 0.005 . . . . . . 20 H HB3 . 18702 1 128 . 1 1 20 20 HIS HD2 H 1 7.124 0.007 . . . . . . 20 H HD2 . 18702 1 129 . 1 1 20 20 HIS CA C 13 57.097 0.029 . . . . . . 20 H CA . 18702 1 130 . 1 1 20 20 HIS CB C 13 29.801 0.059 . . . . . . 20 H CB . 18702 1 131 . 1 1 21 21 SER H H 1 7.926 0.013 . . . . . . 21 S HN . 18702 1 132 . 1 1 21 21 SER HA H 1 4.768 0.008 . . . . . . 21 S HA . 18702 1 133 . 1 1 21 21 SER HB2 H 1 3.858 0.007 . . . . . . 21 S HB2 . 18702 1 134 . 1 1 21 21 SER HB3 H 1 3.456 0.014 . . . . . . 21 S HB3 . 18702 1 135 . 1 1 21 21 SER CB C 13 65.022 0.051 . . . . . . 21 S CB . 18702 1 136 . 1 1 22 22 VAL H H 1 7.104 0.009 . . . . . . 22 V HN . 18702 1 137 . 1 1 22 22 VAL HA H 1 2.997 0.005 . . . . . . 22 V HA . 18702 1 138 . 1 1 22 22 VAL HB H 1 1.565 0.002 . . . . . . 22 V HB . 18702 1 139 . 1 1 22 22 VAL HG11 H 1 0.674 0.005 . . . . . . 22 V QG1 . 18702 1 140 . 1 1 22 22 VAL HG12 H 1 0.674 0.005 . . . . . . 22 V QG1 . 18702 1 141 . 1 1 22 22 VAL HG13 H 1 0.674 0.005 . . . . . . 22 V QG1 . 18702 1 142 . 1 1 22 22 VAL HG21 H 1 0.360 0.586 . . . . . . 22 V QG2 . 18702 1 143 . 1 1 22 22 VAL HG22 H 1 0.360 0.586 . . . . . . 22 V QG2 . 18702 1 144 . 1 1 22 22 VAL HG23 H 1 0.360 0.586 . . . . . . 22 V QG2 . 18702 1 145 . 1 1 22 22 VAL CA C 13 66.839 0.039 . . . . . . 22 V CA . 18702 1 146 . 1 1 22 22 VAL CB C 13 31.594 0.026 . . . . . . 22 V CB . 18702 1 147 . 1 1 22 22 VAL CG1 C 13 23.900 0.032 . . . . . . 22 V CG1 . 18702 1 148 . 1 1 22 22 VAL CG2 C 13 20.125 0.005 . . . . . . 22 V CG2 . 18702 1 149 . 1 1 23 23 GLY H H 1 8.499 0.003 . . . . . . 23 G HN . 18702 1 150 . 1 1 23 23 GLY HA2 H 1 3.553 0.004 . . . . . . 23 G HA2 . 18702 1 151 . 1 1 23 23 GLY HA3 H 1 3.814 0.002 . . . . . . 23 G HA3 . 18702 1 152 . 1 1 23 23 GLY CA C 13 46.838 0.022 . . . . . . 23 G CA . 18702 1 153 . 1 1 24 24 VAL H H 1 7.159 0.004 . . . . . . 24 V HN . 18702 1 154 . 1 1 24 24 VAL HA H 1 3.648 0.003 . . . . . . 24 V HA . 18702 1 155 . 1 1 24 24 VAL HB H 1 2.023 0.004 . . . . . . 24 V HB . 18702 1 156 . 1 1 24 24 VAL HG11 H 1 0.816 0.002 . . . . . . 24 V QG1 . 18702 1 157 . 1 1 24 24 VAL HG12 H 1 0.816 0.002 . . . . . . 24 V QG1 . 18702 1 158 . 1 1 24 24 VAL HG13 H 1 0.816 0.002 . . . . . . 24 V QG1 . 18702 1 159 . 1 1 24 24 VAL HG21 H 1 0.834 0.002 . . . . . . 24 V QG2 . 18702 1 160 . 1 1 24 24 VAL HG22 H 1 0.834 0.002 . . . . . . 24 V QG2 . 18702 1 161 . 1 1 24 24 VAL HG23 H 1 0.834 0.002 . . . . . . 24 V QG2 . 18702 1 162 . 1 1 24 24 VAL CA C 13 64.752 0.046 . . . . . . 24 V CA . 18702 1 163 . 1 1 24 24 VAL CB C 13 31.776 0.036 . . . . . . 24 V CB . 18702 1 164 . 1 1 24 24 VAL CG1 C 13 21.877 0.042 . . . . . . 24 V CG1 . 18702 1 165 . 1 1 24 24 VAL CG2 C 13 21.073 0.062 . . . . . . 24 V CG2 . 18702 1 166 . 1 1 25 25 VAL H H 1 6.857 0.005 . . . . . . 25 V HN . 18702 1 167 . 1 1 25 25 VAL HA H 1 3.290 0.003 . . . . . . 25 V HA . 18702 1 168 . 1 1 25 25 VAL HB H 1 1.975 0.317 . . . . . . 25 V HB . 18702 1 169 . 1 1 25 25 VAL HG11 H 1 0.912 0.005 . . . . . . 25 V QG1 . 18702 1 170 . 1 1 25 25 VAL HG12 H 1 0.912 0.005 . . . . . . 25 V QG1 . 18702 1 171 . 1 1 25 25 VAL HG13 H 1 0.912 0.005 . . . . . . 25 V QG1 . 18702 1 172 . 1 1 25 25 VAL HG21 H 1 0.787 0.003 . . . . . . 25 V QG2 . 18702 1 173 . 1 1 25 25 VAL HG22 H 1 0.787 0.003 . . . . . . 25 V QG2 . 18702 1 174 . 1 1 25 25 VAL HG23 H 1 0.787 0.003 . . . . . . 25 V QG2 . 18702 1 175 . 1 1 25 25 VAL CA C 13 65.371 0.047 . . . . . . 25 V CA . 18702 1 176 . 1 1 25 25 VAL CB C 13 30.509 2.944 . . . . . . 25 V CB . 18702 1 177 . 1 1 25 25 VAL CG1 C 13 23.377 0.022 . . . . . . 25 V CG1 . 18702 1 178 . 1 1 25 25 VAL CG2 C 13 21.223 0.056 . . . . . . 25 V CG2 . 18702 1 179 . 1 1 26 26 ILE H H 1 7.410 0.006 . . . . . . 26 I HN . 18702 1 180 . 1 1 26 26 ILE HA H 1 3.495 0.005 . . . . . . 26 I HA . 18702 1 181 . 1 1 26 26 ILE HB H 1 1.571 0.003 . . . . . . 26 I HB . 18702 1 182 . 1 1 26 26 ILE HG12 H 1 1.234 0.006 . . . . . . 26 I HG12 . 18702 1 183 . 1 1 26 26 ILE HG13 H 1 0.406 0.010 . . . . . . 26 I HG13 . 18702 1 184 . 1 1 26 26 ILE HG21 H 1 -0.019 0.004 . . . . . . 26 I QG2 . 18702 1 185 . 1 1 26 26 ILE HG22 H 1 -0.019 0.004 . . . . . . 26 I QG2 . 18702 1 186 . 1 1 26 26 ILE HG23 H 1 -0.019 0.004 . . . . . . 26 I QG2 . 18702 1 187 . 1 1 26 26 ILE HD11 H 1 0.953 0.004 . . . . . . 26 I QD1 . 18702 1 188 . 1 1 26 26 ILE HD12 H 1 0.953 0.004 . . . . . . 26 I QD1 . 18702 1 189 . 1 1 26 26 ILE HD13 H 1 0.953 0.004 . . . . . . 26 I QD1 . 18702 1 190 . 1 1 26 26 ILE CA C 13 64.183 0.043 . . . . . . 26 I CA . 18702 1 191 . 1 1 26 26 ILE CB C 13 38.497 0.028 . . . . . . 26 I CB . 18702 1 192 . 1 1 26 26 ILE CG1 C 13 28.877 0.022 . . . . . . 26 I CG1 . 18702 1 193 . 1 1 26 26 ILE CG2 C 13 12.51 0.026 . . . . . . 26 I CG2 . 18702 1 194 . 1 1 26 26 ILE CD1 C 13 18.562 0.017 . . . . . . 26 I CD1 . 18702 1 195 . 1 1 27 27 GLY H H 1 8.108 0.008 . . . . . . 27 G HN . 18702 1 196 . 1 1 27 27 GLY HA2 H 1 3.791 0.003 . . . . . . 27 G HA2 . 18702 1 197 . 1 1 27 27 GLY HA3 H 1 4.023 0.005 . . . . . . 27 G HA3 . 18702 1 198 . 1 1 27 27 GLY CA C 13 43.591 0.033 . . . . . . 27 G CA . 18702 1 199 . 1 1 28 28 ARG H H 1 8.901 0.010 . . . . . . 28 R HN . 18702 1 200 . 1 1 28 28 ARG HA H 1 4.176 0.002 . . . . . . 28 R HA . 18702 1 201 . 1 1 28 28 ARG HB2 H 1 1.873 0.007 . . . . . . 28 R QB . 18702 1 202 . 1 1 28 28 ARG HB3 H 1 1.873 0.007 . . . . . . 28 R QB . 18702 1 203 . 1 1 28 28 ARG HG2 H 1 1.710 0.005 . . . . . . 28 R QG . 18702 1 204 . 1 1 28 28 ARG HG3 H 1 1.710 0.005 . . . . . . 28 R QG . 18702 1 205 . 1 1 28 28 ARG HD2 H 1 3.266 0.005 . . . . . . 28 R QD . 18702 1 206 . 1 1 28 28 ARG HD3 H 1 3.266 0.005 . . . . . . 28 R QD . 18702 1 207 . 1 1 28 28 ARG CA C 13 58.176 0.005 . . . . . . 28 R CA . 18702 1 208 . 1 1 28 28 ARG CB C 13 29.366 0.005 . . . . . . 28 R CB . 18702 1 209 . 1 1 28 28 ARG CD C 13 43.499 0.005 . . . . . . 28 R CD . 18702 1 210 . 1 1 29 29 SER HA H 1 4.225 0.005 . . . . . . 29 S HA . 18702 1 211 . 1 1 29 29 SER HB2 H 1 4.242 0.002 . . . . . . 29 S HB2 . 18702 1 212 . 1 1 29 29 SER HB3 H 1 4.012 0.001 . . . . . . 29 S HB3 . 18702 1 213 . 1 1 29 29 SER CA C 13 59.145 0.005 . . . . . . 29 S CA . 18702 1 214 . 1 1 29 29 SER CB C 13 62.518 0.007 . . . . . . 29 S CB . 18702 1 215 . 1 1 30 30 GLY H H 1 8.161 0.005 . . . . . . 30 G HN . 18702 1 216 . 1 1 30 30 GLY HA2 H 1 3.948 0.002 . . . . . . 30 G HA2 . 18702 1 217 . 1 1 30 30 GLY HA3 H 1 3.978 0.004 . . . . . . 30 G HA3 . 18702 1 218 . 1 1 30 30 GLY CA C 13 46.352 0.005 . . . . . . 30 G CA . 18702 1 219 . 1 1 31 31 GLU HA H 1 3.934 0.006 . . . . . . 31 E HA . 18702 1 220 . 1 1 31 31 GLU HB2 H 1 2.140 0.021 . . . . . . 31 E HB2 . 18702 1 221 . 1 1 31 31 GLU HB3 H 1 2.088 0.005 . . . . . . 31 E HB3 . 18702 1 222 . 1 1 31 31 GLU HG2 H 1 2.395 0.004 . . . . . . 31 E QG . 18702 1 223 . 1 1 31 31 GLU HG3 H 1 2.395 0.004 . . . . . . 31 E QG . 18702 1 224 . 1 1 31 31 GLU CA C 13 59.669 0.024 . . . . . . 31 E CA . 18702 1 225 . 1 1 31 31 GLU CB C 13 29.782 0.002 . . . . . . 31 E CB . 18702 1 226 . 1 1 31 31 GLU CG C 13 35.931 0.002 . . . . . . 31 E CG . 18702 1 227 . 1 1 32 32 MET H H 1 7.879 0.005 . . . . . . 32 M HN . 18702 1 228 . 1 1 32 32 MET HA H 1 4.749 0.003 . . . . . . 32 M HA . 18702 1 229 . 1 1 32 32 MET HB2 H 1 1.845 0.002 . . . . . . 32 M HB2 . 18702 1 230 . 1 1 32 32 MET HB3 H 1 1.824 0.005 . . . . . . 32 M HB3 . 18702 1 231 . 1 1 32 32 MET HG2 H 1 2.829 0.005 . . . . . . 32 M HG2 . 18702 1 232 . 1 1 32 32 MET HG3 H 1 2.379 0.006 . . . . . . 32 M HG3 . 18702 1 233 . 1 1 32 32 MET HE1 H 1 2.042 0.003 . . . . . . 32 M QE . 18702 1 234 . 1 1 32 32 MET HE2 H 1 2.042 0.003 . . . . . . 32 M QE . 18702 1 235 . 1 1 32 32 MET HE3 H 1 2.042 0.003 . . . . . . 32 M QE . 18702 1 236 . 1 1 32 32 MET CB C 13 30.402 0.034 . . . . . . 32 M CB . 18702 1 237 . 1 1 32 32 MET CG C 13 32.929 0.056 . . . . . . 32 M CG . 18702 1 238 . 1 1 32 32 MET CE C 13 17.348 0.046 . . . . . . 32 M CE . 18702 1 239 . 1 1 33 33 ILE H H 1 8.261 0.008 . . . . . . 33 I HN . 18702 1 240 . 1 1 33 33 ILE HA H 1 3.938 0.004 . . . . . . 33 I HA . 18702 1 241 . 1 1 33 33 ILE HB H 1 2.074 0.004 . . . . . . 33 I HB . 18702 1 242 . 1 1 33 33 ILE HG12 H 1 1.330 0.004 . . . . . . 33 I HG12 . 18702 1 243 . 1 1 33 33 ILE HG13 H 1 1.016 0.008 . . . . . . 33 I HG13 . 18702 1 244 . 1 1 33 33 ILE HG21 H 1 0.994 0.006 . . . . . . 33 I QG2 . 18702 1 245 . 1 1 33 33 ILE HG22 H 1 0.994 0.006 . . . . . . 33 I QG2 . 18702 1 246 . 1 1 33 33 ILE HG23 H 1 0.994 0.006 . . . . . . 33 I QG2 . 18702 1 247 . 1 1 33 33 ILE HD11 H 1 0.505 0.006 . . . . . . 33 I QD1 . 18702 1 248 . 1 1 33 33 ILE HD12 H 1 0.505 0.006 . . . . . . 33 I QD1 . 18702 1 249 . 1 1 33 33 ILE HD13 H 1 0.505 0.006 . . . . . . 33 I QD1 . 18702 1 250 . 1 1 33 33 ILE CA C 13 64.534 0.034 . . . . . . 33 I CA . 18702 1 251 . 1 1 33 33 ILE CB C 13 37.885 0.062 . . . . . . 33 I CB . 18702 1 252 . 1 1 33 33 ILE CG1 C 13 30.257 0.039 . . . . . . 33 I CG1 . 18702 1 253 . 1 1 33 33 ILE CG2 C 13 17.378 0.022 . . . . . . 33 I CG2 . 18702 1 254 . 1 1 33 33 ILE CD1 C 13 14.817 0.037 . . . . . . 33 I CD1 . 18702 1 255 . 1 1 34 34 LYS H H 1 8.169 0.005 . . . . . . 34 K HN . 18702 1 256 . 1 1 34 34 LYS HA H 1 3.998 0.005 . . . . . . 34 K HA . 18702 1 257 . 1 1 34 34 LYS HB2 H 1 1.854 0.003 . . . . . . 34 K HB2 . 18702 1 258 . 1 1 34 34 LYS HB3 H 1 1.812 0.003 . . . . . . 34 K HB3 . 18702 1 259 . 1 1 34 34 LYS HG2 H 1 1.778 0.003 . . . . . . 34 K HG2 . 18702 1 260 . 1 1 34 34 LYS HG3 H 1 1.441 0.004 . . . . . . 34 K HG3 . 18702 1 261 . 1 1 34 34 LYS HD2 H 1 1.770 0.016 . . . . . . 34 K HD2 . 18702 1 262 . 1 1 34 34 LYS HD3 H 1 1.601 0.006 . . . . . . 34 K HD3 . 18702 1 263 . 1 1 34 34 LYS HE2 H 1 3.007 0.007 . . . . . . 34 K QE . 18702 1 264 . 1 1 34 34 LYS HE3 H 1 3.007 0.007 . . . . . . 34 K QE . 18702 1 265 . 1 1 34 34 LYS CA C 13 60.218 0.034 . . . . . . 34 K CA . 18702 1 266 . 1 1 34 34 LYS CB C 13 32.855 0.057 . . . . . . 34 K CB . 18702 1 267 . 1 1 34 34 LYS CG C 13 26.215 0.043 . . . . . . 34 K CG . 18702 1 268 . 1 1 34 34 LYS CD C 13 29.910 0.050 . . . . . . 34 K CD . 18702 1 269 . 1 1 34 34 LYS CE C 13 42.321 0.011 . . . . . . 34 K CE . 18702 1 270 . 1 1 35 35 LYS H H 1 7.224 0.007 . . . . . . 35 K HN . 18702 1 271 . 1 1 35 35 LYS HA H 1 4.123 0.002 . . . . . . 35 K HA . 18702 1 272 . 1 1 35 35 LYS HB2 H 1 2.287 0.005 . . . . . . 35 K HB2 . 18702 1 273 . 1 1 35 35 LYS HB3 H 1 2.002 0.004 . . . . . . 35 K HB3 . 18702 1 274 . 1 1 35 35 LYS HG2 H 1 1.563 0.003 . . . . . . 35 K HG2 . 18702 1 275 . 1 1 35 35 LYS HG3 H 1 1.373 0.004 . . . . . . 35 K HG3 . 18702 1 276 . 1 1 35 35 LYS HD2 H 1 1.779 0.005 . . . . . . 35 K HD2 . 18702 1 277 . 1 1 35 35 LYS HD3 H 1 1.695 0.004 . . . . . . 35 K HD3 . 18702 1 278 . 1 1 35 35 LYS HE2 H 1 3.082 0.006 . . . . . . 35 K HE2 . 18702 1 279 . 1 1 35 35 LYS HE3 H 1 3.012 0.003 . . . . . . 35 K HE3 . 18702 1 280 . 1 1 35 35 LYS CA C 13 59.880 0.040 . . . . . . 35 K CA . 18702 1 281 . 1 1 35 35 LYS CB C 13 32.268 0.042 . . . . . . 35 K CB . 18702 1 282 . 1 1 35 35 LYS CG C 13 24.947 0.040 . . . . . . 35 K CG . 18702 1 283 . 1 1 35 35 LYS CD C 13 29.519 0.036 . . . . . . 35 K CD . 18702 1 284 . 1 1 35 35 LYS CE C 13 42.379 0.039 . . . . . . 35 K CE . 18702 1 285 . 1 1 36 36 ILE H H 1 8.527 0.005 . . . . . . 36 I HN . 18702 1 286 . 1 1 36 36 ILE HA H 1 3.535 0.003 . . . . . . 36 I HA . 18702 1 287 . 1 1 36 36 ILE HB H 1 1.590 0.005 . . . . . . 36 I HB . 18702 1 288 . 1 1 36 36 ILE HG12 H 1 1.989 0.002 . . . . . . 36 I HG12 . 18702 1 289 . 1 1 36 36 ILE HG13 H 1 0.862 0.005 . . . . . . 36 I HG13 . 18702 1 290 . 1 1 36 36 ILE HG21 H 1 0.665 0.004 . . . . . . 36 I QG2 . 18702 1 291 . 1 1 36 36 ILE HG22 H 1 0.665 0.004 . . . . . . 36 I QG2 . 18702 1 292 . 1 1 36 36 ILE HG23 H 1 0.665 0.004 . . . . . . 36 I QG2 . 18702 1 293 . 1 1 36 36 ILE HD11 H 1 0.685 0.005 . . . . . . 36 I QD1 . 18702 1 294 . 1 1 36 36 ILE HD12 H 1 0.685 0.005 . . . . . . 36 I QD1 . 18702 1 295 . 1 1 36 36 ILE HD13 H 1 0.685 0.005 . . . . . . 36 I QD1 . 18702 1 296 . 1 1 36 36 ILE CA C 13 66.470 0.041 . . . . . . 36 I CA . 18702 1 297 . 1 1 36 36 ILE CB C 13 38.490 0.062 . . . . . . 36 I CB . 18702 1 298 . 1 1 36 36 ILE CG1 C 13 27.971 0.046 . . . . . . 36 I CG1 . 18702 1 299 . 1 1 36 36 ILE CG2 C 13 17.213 0.033 . . . . . . 36 I CG2 . 18702 1 300 . 1 1 36 36 ILE CD1 C 13 13.609 0.032 . . . . . . 36 I CD1 . 18702 1 301 . 1 1 37 37 GLN H H 1 8.300 0.008 . . . . . . 37 Q HN . 18702 1 302 . 1 1 37 37 GLN HA H 1 3.741 0.002 . . . . . . 37 Q HA . 18702 1 303 . 1 1 37 37 GLN HB2 H 1 2.340 0.004 . . . . . . 37 Q QB . 18702 1 304 . 1 1 37 37 GLN HB3 H 1 2.340 0.004 . . . . . . 37 Q QB . 18702 1 305 . 1 1 37 37 GLN HG2 H 1 2.894 0.005 . . . . . . 37 Q HG2 . 18702 1 306 . 1 1 37 37 GLN HG3 H 1 2.058 0.005 . . . . . . 37 Q HG3 . 18702 1 307 . 1 1 37 37 GLN HE21 H 1 7.622 0.005 . . . . . . 37 Q HE21 . 18702 1 308 . 1 1 37 37 GLN HE22 H 1 7.393 0.004 . . . . . . 37 Q HE22 . 18702 1 309 . 1 1 37 37 GLN CA C 13 60.243 0.019 . . . . . . 37 Q CA . 18702 1 310 . 1 1 37 37 GLN CB C 13 29.495 0.046 . . . . . . 37 Q CB . 18702 1 311 . 1 1 37 37 GLN CG C 13 37.073 0.045 . . . . . . 37 Q CG . 18702 1 312 . 1 1 38 38 ASN H H 1 8.116 0.004 . . . . . . 38 N HN . 18702 1 313 . 1 1 38 38 ASN HA H 1 4.536 0.003 . . . . . . 38 N HA . 18702 1 314 . 1 1 38 38 ASN HB2 H 1 2.932 0.003 . . . . . . 38 N QB . 18702 1 315 . 1 1 38 38 ASN HB3 H 1 2.932 0.003 . . . . . . 38 N QB . 18702 1 316 . 1 1 38 38 ASN HD21 H 1 7.709 0.005 . . . . . . 38 N HD21 . 18702 1 317 . 1 1 38 38 ASN HD22 H 1 6.917 0.005 . . . . . . 38 N HD22 . 18702 1 318 . 1 1 38 38 ASN CA C 13 55.916 0.051 . . . . . . 38 N CA . 18702 1 319 . 1 1 38 38 ASN CB C 13 38.857 0.037 . . . . . . 38 N CB . 18702 1 320 . 1 1 39 39 ASP H H 1 9.207 0.002 . . . . . . 39 D HN . 18702 1 321 . 1 1 39 39 ASP HA H 1 4.354 0.002 . . . . . . 39 D HA . 18702 1 322 . 1 1 39 39 ASP HB2 H 1 2.695 0.003 . . . . . . 39 D HB2 . 18702 1 323 . 1 1 39 39 ASP HB3 H 1 2.463 0.004 . . . . . . 39 D HB3 . 18702 1 324 . 1 1 39 39 ASP CA C 13 57.071 0.076 . . . . . . 39 D CA . 18702 1 325 . 1 1 39 39 ASP CB C 13 40.084 0.046 . . . . . . 39 D CB . 18702 1 326 . 1 1 40 40 ALA H H 1 8.061 0.006 . . . . . . 40 A HN . 18702 1 327 . 1 1 40 40 ALA HA H 1 4.530 0.003 . . . . . . 40 A HA . 18702 1 328 . 1 1 40 40 ALA HB1 H 1 1.194 0.004 . . . . . . 40 A QB . 18702 1 329 . 1 1 40 40 ALA HB2 H 1 1.194 0.004 . . . . . . 40 A QB . 18702 1 330 . 1 1 40 40 ALA HB3 H 1 1.194 0.004 . . . . . . 40 A QB . 18702 1 331 . 1 1 40 40 ALA CA C 13 51.648 0.043 . . . . . . 40 A CA . 18702 1 332 . 1 1 40 40 ALA CB C 13 20.066 0.023 . . . . . . 40 A CB . 18702 1 333 . 1 1 41 41 GLY H H 1 7.949 0.004 . . . . . . 41 G HN . 18702 1 334 . 1 1 41 41 GLY HA2 H 1 4.004 0.017 . . . . . . 41 G HA2 . 18702 1 335 . 1 1 41 41 GLY HA3 H 1 4.055 0.006 . . . . . . 41 G HA3 . 18702 1 336 . 1 1 41 41 GLY CA C 13 47.369 0.057 . . . . . . 41 G CA . 18702 1 337 . 1 1 42 42 VAL H H 1 7.620 0.001 . . . . . . 42 V HN . 18702 1 338 . 1 1 42 42 VAL HA H 1 4.959 0.005 . . . . . . 42 V HA . 18702 1 339 . 1 1 42 42 VAL HB H 1 2.141 0.005 . . . . . . 42 V HB . 18702 1 340 . 1 1 42 42 VAL HG11 H 1 0.562 0.006 . . . . . . 42 V QG1 . 18702 1 341 . 1 1 42 42 VAL HG12 H 1 0.562 0.006 . . . . . . 42 V QG1 . 18702 1 342 . 1 1 42 42 VAL HG13 H 1 0.562 0.006 . . . . . . 42 V QG1 . 18702 1 343 . 1 1 42 42 VAL HG21 H 1 0.485 0.004 . . . . . . 42 V QG2 . 18702 1 344 . 1 1 42 42 VAL HG22 H 1 0.485 0.004 . . . . . . 42 V QG2 . 18702 1 345 . 1 1 42 42 VAL HG23 H 1 0.485 0.004 . . . . . . 42 V QG2 . 18702 1 346 . 1 1 42 42 VAL CA C 13 58.413 0.039 . . . . . . 42 V CA . 18702 1 347 . 1 1 42 42 VAL CB C 13 35.770 0.103 . . . . . . 42 V CB . 18702 1 348 . 1 1 42 42 VAL CG1 C 13 22.479 0.029 . . . . . . 42 V CG1 . 18702 1 349 . 1 1 42 42 VAL CG2 C 13 18.643 0.048 . . . . . . 42 V CG2 . 18702 1 350 . 1 1 43 43 ARG H H 1 8.334 0.004 . . . . . . 43 R HN . 18702 1 351 . 1 1 43 43 ARG HA H 1 4.636 0.006 . . . . . . 43 R HA . 18702 1 352 . 1 1 43 43 ARG HB2 H 1 1.812 0.004 . . . . . . 43 R HB2 . 18702 1 353 . 1 1 43 43 ARG HB3 H 1 1.666 0.004 . . . . . . 43 R HB3 . 18702 1 354 . 1 1 43 43 ARG HG2 H 1 1.677 0.004 . . . . . . 43 R HG2 . 18702 1 355 . 1 1 43 43 ARG HG3 H 1 1.567 0.006 . . . . . . 43 R HG3 . 18702 1 356 . 1 1 43 43 ARG HD2 H 1 3.209 0.004 . . . . . . 43 R QD . 18702 1 357 . 1 1 43 43 ARG HD3 H 1 3.209 0.004 . . . . . . 43 R QD . 18702 1 358 . 1 1 43 43 ARG CA C 13 54.668 0.038 . . . . . . 43 R CA . 18702 1 359 . 1 1 43 43 ARG CB C 13 32.869 0.045 . . . . . . 43 R CB . 18702 1 360 . 1 1 43 43 ARG CG C 13 27.407 0.025 . . . . . . 43 R CG . 18702 1 361 . 1 1 43 43 ARG CD C 13 42.590 0.005 . . . . . . 43 R CD . 18702 1 362 . 1 1 44 44 ILE H H 1 9.418 0.006 . . . . . . 44 I HN . 18702 1 363 . 1 1 44 44 ILE HA H 1 4.983 0.006 . . . . . . 44 I HA . 18702 1 364 . 1 1 44 44 ILE HB H 1 1.403 0.005 . . . . . . 44 I HB . 18702 1 365 . 1 1 44 44 ILE HG12 H 1 1.423 0.006 . . . . . . 44 I HG12 . 18702 1 366 . 1 1 44 44 ILE HG13 H 1 0.742 0.008 . . . . . . 44 I HG13 . 18702 1 367 . 1 1 44 44 ILE HG21 H 1 0.295 0.004 . . . . . . 44 I QG2 . 18702 1 368 . 1 1 44 44 ILE HG22 H 1 0.295 0.004 . . . . . . 44 I QG2 . 18702 1 369 . 1 1 44 44 ILE HG23 H 1 0.295 0.004 . . . . . . 44 I QG2 . 18702 1 370 . 1 1 44 44 ILE HD11 H 1 0.586 0.007 . . . . . . 44 I QD1 . 18702 1 371 . 1 1 44 44 ILE HD12 H 1 0.586 0.007 . . . . . . 44 I QD1 . 18702 1 372 . 1 1 44 44 ILE HD13 H 1 0.586 0.007 . . . . . . 44 I QD1 . 18702 1 373 . 1 1 44 44 ILE CA C 13 60.098 0.079 . . . . . . 44 I CA . 18702 1 374 . 1 1 44 44 ILE CB C 13 40.201 0.036 . . . . . . 44 I CB . 18702 1 375 . 1 1 44 44 ILE CG1 C 13 27.968 0.048 . . . . . . 44 I CG1 . 18702 1 376 . 1 1 44 44 ILE CG2 C 13 16.721 0.054 . . . . . . 44 I CG2 . 18702 1 377 . 1 1 44 44 ILE CD1 C 13 13.529 0.052 . . . . . . 44 I CD1 . 18702 1 378 . 1 1 45 45 GLN H H 1 9.116 0.006 . . . . . . 45 Q HN . 18702 1 379 . 1 1 45 45 GLN HA H 1 5.048 0.004 . . . . . . 45 Q HA . 18702 1 380 . 1 1 45 45 GLN HB2 H 1 2.124 0.006 . . . . . . 45 Q HB2 . 18702 1 381 . 1 1 45 45 GLN HB3 H 1 2.056 0.004 . . . . . . 45 Q HB3 . 18702 1 382 . 1 1 45 45 GLN HG2 H 1 2.414 0.005 . . . . . . 45 Q HG2 . 18702 1 383 . 1 1 45 45 GLN HG3 H 1 2.266 0.004 . . . . . . 45 Q HG3 . 18702 1 384 . 1 1 45 45 GLN HE21 H 1 7.783 0.005 . . . . . . 45 Q HE21 . 18702 1 385 . 1 1 45 45 GLN CA C 13 53.919 0.053 . . . . . . 45 Q CA . 18702 1 386 . 1 1 45 45 GLN CB C 13 32.640 0.017 . . . . . . 45 Q CB . 18702 1 387 . 1 1 45 45 GLN CG C 13 33.382 0.050 . . . . . . 45 Q CG . 18702 1 388 . 1 1 46 46 PHE H H 1 9.088 0.001 . . . . . . 46 F HN . 18702 1 389 . 1 1 46 46 PHE HA H 1 4.976 0.004 . . . . . . 46 F HA . 18702 1 390 . 1 1 46 46 PHE HB2 H 1 3.194 0.004 . . . . . . 46 F HB2 . 18702 1 391 . 1 1 46 46 PHE HB3 H 1 2.889 0.006 . . . . . . 46 F HB3 . 18702 1 392 . 1 1 46 46 PHE HD1 H 1 7.067 0.008 . . . . . . 46 F QD . 18702 1 393 . 1 1 46 46 PHE HD2 H 1 7.067 0.008 . . . . . . 46 F QD . 18702 1 394 . 1 1 46 46 PHE HE1 H 1 6.838 0.007 . . . . . . 46 F QE . 18702 1 395 . 1 1 46 46 PHE HE2 H 1 6.838 0.007 . . . . . . 46 F QE . 18702 1 396 . 1 1 46 46 PHE HZ H 1 6.734 0.006 . . . . . . 46 F HZ . 18702 1 397 . 1 1 46 46 PHE CA C 13 60.101 0.046 . . . . . . 46 F CA . 18702 1 398 . 1 1 46 46 PHE CB C 13 39.457 0.024 . . . . . . 46 F CB . 18702 1 399 . 1 1 47 47 LYS H H 1 9.090 0.007 . . . . . . 47 K HN . 18702 1 400 . 1 1 47 47 LYS HA H 1 4.332 0.002 . . . . . . 47 K HA . 18702 1 401 . 1 1 47 47 LYS HB2 H 1 1.969 0.004 . . . . . . 47 K HB2 . 18702 1 402 . 1 1 47 47 LYS HB3 H 1 1.831 0.006 . . . . . . 47 K HB3 . 18702 1 403 . 1 1 47 47 LYS HG2 H 1 1.560 0.005 . . . . . . 47 K HG2 . 18702 1 404 . 1 1 47 47 LYS HG3 H 1 1.433 0.004 . . . . . . 47 K HG3 . 18702 1 405 . 1 1 47 47 LYS HD2 H 1 1.620 0.005 . . . . . . 47 K QD . 18702 1 406 . 1 1 47 47 LYS HD3 H 1 1.620 0.005 . . . . . . 47 K QD . 18702 1 407 . 1 1 47 47 LYS HE2 H 1 2.839 0.003 . . . . . . 47 K QE . 18702 1 408 . 1 1 47 47 LYS HE3 H 1 2.839 0.003 . . . . . . 47 K QE . 18702 1 409 . 1 1 47 47 LYS CA C 13 56.600 0.067 . . . . . . 47 K CA . 18702 1 410 . 1 1 47 47 LYS CB C 13 33.531 0.064 . . . . . . 47 K CB . 18702 1 411 . 1 1 47 47 LYS CG C 13 25.709 0.045 . . . . . . 47 K CG . 18702 1 412 . 1 1 47 47 LYS CD C 13 29.436 0.059 . . . . . . 47 K CD . 18702 1 413 . 1 1 47 47 LYS CE C 13 41.828 0.031 . . . . . . 47 K CE . 18702 1 414 . 1 1 48 48 GLN HA H 1 4.344 0.003 . . . . . . 48 Q HA . 18702 1 415 . 1 1 48 48 GLN HB2 H 1 2.091 0.002 . . . . . . 48 Q QB . 18702 1 416 . 1 1 48 48 GLN HB3 H 1 2.091 0.002 . . . . . . 48 Q QB . 18702 1 417 . 1 1 48 48 GLN HG2 H 1 2.460 0.004 . . . . . . 48 Q QG . 18702 1 418 . 1 1 48 48 GLN HG3 H 1 2.460 0.004 . . . . . . 48 Q QG . 18702 1 419 . 1 1 48 48 GLN CA C 13 56.430 0.005 . . . . . . 48 Q CA . 18702 1 420 . 1 1 48 48 GLN CB C 13 28.887 0.013 . . . . . . 48 Q CB . 18702 1 421 . 1 1 48 48 GLN CG C 13 33.670 0.051 . . . . . . 48 Q CG . 18702 1 422 . 1 1 49 49 ASP HA H 1 4.842 0.004 . . . . . . 49 D HA . 18702 1 423 . 1 1 49 49 ASP HB2 H 1 3.089 0.002 . . . . . . 49 D HB2 . 18702 1 424 . 1 1 49 49 ASP HB3 H 1 2.822 0.002 . . . . . . 49 D HB3 . 18702 1 425 . 1 1 49 49 ASP CA C 13 53.273 0.001 . . . . . . 49 D CA . 18702 1 426 . 1 1 49 49 ASP CB C 13 43.209 0.004 . . . . . . 49 D CB . 18702 1 427 . 1 1 50 50 ASP HA H 1 4.628 0.003 . . . . . . 50 D HA . 18702 1 428 . 1 1 50 50 ASP HB2 H 1 3.056 0.003 . . . . . . 50 D HB2 . 18702 1 429 . 1 1 50 50 ASP HB3 H 1 2.677 0.002 . . . . . . 50 D HB3 . 18702 1 430 . 1 1 50 50 ASP CA C 13 53.670 0.010 . . . . . . 50 D CA . 18702 1 431 . 1 1 50 50 ASP CB C 13 40.720 0.049 . . . . . . 50 D CB . 18702 1 432 . 1 1 51 51 GLY H H 1 8.967 0.002 . . . . . . 51 G HN . 18702 1 433 . 1 1 51 51 GLY HA2 H 1 3.720 0.002 . . . . . . 51 G HA2 . 18702 1 434 . 1 1 51 51 GLY HA3 H 1 4.201 0.001 . . . . . . 51 G HA3 . 18702 1 435 . 1 1 51 51 GLY CA C 13 45.581 0.016 . . . . . . 51 G CA . 18702 1 436 . 1 1 52 52 THR H H 1 8.153 0.003 . . . . . . 52 T HN . 18702 1 437 . 1 1 52 52 THR HA H 1 4.397 0.003 . . . . . . 52 T HA . 18702 1 438 . 1 1 52 52 THR HB H 1 4.246 0.002 . . . . . . 52 T HB . 18702 1 439 . 1 1 52 52 THR HG21 H 1 1.149 0.004 . . . . . . 52 T QG2 . 18702 1 440 . 1 1 52 52 THR HG22 H 1 1.149 0.004 . . . . . . 52 T QG2 . 18702 1 441 . 1 1 52 52 THR HG23 H 1 1.149 0.004 . . . . . . 52 T QG2 . 18702 1 442 . 1 1 52 52 THR CA C 13 62.291 0.019 . . . . . . 52 T CA . 18702 1 443 . 1 1 52 52 THR CB C 13 70.766 0.002 . . . . . . 52 T CB . 18702 1 444 . 1 1 52 52 THR CG2 C 13 21.379 0.052 . . . . . . 52 T CG2 . 18702 1 445 . 1 1 53 53 GLY HA2 H 1 4.255 0.004 . . . . . . 53 G QA . 18702 1 446 . 1 1 53 53 GLY HA3 H 1 4.255 0.004 . . . . . . 53 G QA . 18702 1 447 . 1 1 53 53 GLY CA C 13 44.630 0.043 . . . . . . 53 G CA . 18702 1 448 . 1 1 54 54 PRO HA H 1 4.596 0.006 . . . . . . 54 P HA . 18702 1 449 . 1 1 54 54 PRO HB2 H 1 2.332 0.003 . . . . . . 54 P HB2 . 18702 1 450 . 1 1 54 54 PRO HB3 H 1 2.127 0.003 . . . . . . 54 P HB3 . 18702 1 451 . 1 1 54 54 PRO HG2 H 1 2.124 0.005 . . . . . . 54 P HG2 . 18702 1 452 . 1 1 54 54 PRO HG3 H 1 1.953 0.005 . . . . . . 54 P HG3 . 18702 1 453 . 1 1 54 54 PRO HD2 H 1 3.827 0.005 . . . . . . 54 P HD2 . 18702 1 454 . 1 1 54 54 PRO HD3 H 1 3.651 0.002 . . . . . . 54 P HD3 . 18702 1 455 . 1 1 54 54 PRO CA C 13 64.364 0.020 . . . . . . 54 P CA . 18702 1 456 . 1 1 54 54 PRO CB C 13 32.616 0.030 . . . . . . 54 P CB . 18702 1 457 . 1 1 54 54 PRO CG C 13 26.909 0.043 . . . . . . 54 P CG . 18702 1 458 . 1 1 54 54 PRO CD C 13 49.790 0.055 . . . . . . 54 P CD . 18702 1 459 . 1 1 55 55 GLU H H 1 8.076 0.005 . . . . . . 55 E HN . 18702 1 460 . 1 1 55 55 GLU HA H 1 4.864 0.001 . . . . . . 55 E HA . 18702 1 461 . 1 1 55 55 GLU HB2 H 1 1.835 0.003 . . . . . . 55 E HB2 . 18702 1 462 . 1 1 55 55 GLU HB3 H 1 1.737 0.003 . . . . . . 55 E HB3 . 18702 1 463 . 1 1 55 55 GLU HG2 H 1 1.936 0.004 . . . . . . 55 E QG . 18702 1 464 . 1 1 55 55 GLU HG3 H 1 1.936 0.004 . . . . . . 55 E QG . 18702 1 465 . 1 1 55 55 GLU CB C 13 32.976 0.043 . . . . . . 55 E CB . 18702 1 466 . 1 1 55 55 GLU CG C 13 35.783 0.037 . . . . . . 55 E CG . 18702 1 467 . 1 1 56 56 LYS H H 1 8.910 0.005 . . . . . . 56 K HN . 18702 1 468 . 1 1 56 56 LYS HA H 1 4.581 0.005 . . . . . . 56 K HA . 18702 1 469 . 1 1 56 56 LYS HB2 H 1 1.864 0.003 . . . . . . 56 K HB2 . 18702 1 470 . 1 1 56 56 LYS HB3 H 1 1.430 0.003 . . . . . . 56 K HB3 . 18702 1 471 . 1 1 56 56 LYS HG2 H 1 1.555 0.004 . . . . . . 56 K QG . 18702 1 472 . 1 1 56 56 LYS HG3 H 1 1.555 0.004 . . . . . . 56 K QG . 18702 1 473 . 1 1 56 56 LYS HD2 H 1 1.751 0.004 . . . . . . 56 K HD2 . 18702 1 474 . 1 1 56 56 LYS HD3 H 1 1.584 0.005 . . . . . . 56 K HD3 . 18702 1 475 . 1 1 56 56 LYS HE2 H 1 3.082 0.004 . . . . . . 56 K HE2 . 18702 1 476 . 1 1 56 56 LYS HE3 H 1 3.013 0.004 . . . . . . 56 K HE3 . 18702 1 477 . 1 1 56 56 LYS CA C 13 54.886 0.037 . . . . . . 56 K CA . 18702 1 478 . 1 1 56 56 LYS CB C 13 35.638 0.034 . . . . . . 56 K CB . 18702 1 479 . 1 1 56 56 LYS CG C 13 25.914 0.049 . . . . . . 56 K CG . 18702 1 480 . 1 1 56 56 LYS CD C 13 29.298 0.043 . . . . . . 56 K CD . 18702 1 481 . 1 1 56 56 LYS CE C 13 41.874 0.019 . . . . . . 56 K CE . 18702 1 482 . 1 1 57 57 ILE H H 1 9.131 0.004 . . . . . . 57 I HN . 18702 1 483 . 1 1 57 57 ILE HA H 1 4.334 0.005 . . . . . . 57 I HA . 18702 1 484 . 1 1 57 57 ILE HB H 1 1.848 0.002 . . . . . . 57 I HB . 18702 1 485 . 1 1 57 57 ILE HG12 H 1 1.402 0.003 . . . . . . 57 I HG12 . 18702 1 486 . 1 1 57 57 ILE HG13 H 1 1.328 0.007 . . . . . . 57 I HG13 . 18702 1 487 . 1 1 57 57 ILE HG21 H 1 0.624 0.004 . . . . . . 57 I QG2 . 18702 1 488 . 1 1 57 57 ILE HG22 H 1 0.624 0.004 . . . . . . 57 I QG2 . 18702 1 489 . 1 1 57 57 ILE HG23 H 1 0.624 0.004 . . . . . . 57 I QG2 . 18702 1 490 . 1 1 57 57 ILE HD11 H 1 0.650 0.004 . . . . . . 57 I QD1 . 18702 1 491 . 1 1 57 57 ILE HD12 H 1 0.650 0.004 . . . . . . 57 I QD1 . 18702 1 492 . 1 1 57 57 ILE HD13 H 1 0.650 0.004 . . . . . . 57 I QD1 . 18702 1 493 . 1 1 57 57 ILE CA C 13 59.726 0.036 . . . . . . 57 I CA . 18702 1 494 . 1 1 57 57 ILE CB C 13 38.109 0.038 . . . . . . 57 I CB . 18702 1 495 . 1 1 57 57 ILE CG1 C 13 27.132 0.063 . . . . . . 57 I CG1 . 18702 1 496 . 1 1 57 57 ILE CG2 C 13 17.970 0.023 . . . . . . 57 I CG2 . 18702 1 497 . 1 1 57 57 ILE CD1 C 13 10.427 0.034 . . . . . . 57 I CD1 . 18702 1 498 . 1 1 58 58 ALA H H 1 8.848 0.003 . . . . . . 58 A HN . 18702 1 499 . 1 1 58 58 ALA HA H 1 3.747 0.004 . . . . . . 58 A HA . 18702 1 500 . 1 1 58 58 ALA HB1 H 1 0.477 0.003 . . . . . . 58 A QB . 18702 1 501 . 1 1 58 58 ALA HB2 H 1 0.477 0.003 . . . . . . 58 A QB . 18702 1 502 . 1 1 58 58 ALA HB3 H 1 0.477 0.003 . . . . . . 58 A QB . 18702 1 503 . 1 1 58 58 ALA CA C 13 50.425 0.068 . . . . . . 58 A CA . 18702 1 504 . 1 1 58 58 ALA CB C 13 17.416 0.020 . . . . . . 58 A CB . 18702 1 505 . 1 1 59 59 HIS H H 1 8.522 0.005 . . . . . . 59 H HN . 18702 1 506 . 1 1 59 59 HIS HA H 1 5.346 0.003 . . . . . . 59 H HA . 18702 1 507 . 1 1 59 59 HIS HB2 H 1 3.332 0.004 . . . . . . 59 H HB2 . 18702 1 508 . 1 1 59 59 HIS HB3 H 1 2.752 0.004 . . . . . . 59 H HB3 . 18702 1 509 . 1 1 59 59 HIS HD2 H 1 6.850 0.007 . . . . . . 59 H HD2 . 18702 1 510 . 1 1 59 59 HIS CA C 13 54.842 0.035 . . . . . . 59 H CA . 18702 1 511 . 1 1 59 59 HIS CB C 13 30.642 0.055 . . . . . . 59 H CB . 18702 1 512 . 1 1 60 60 ILE H H 1 9.097 0.007 . . . . . . 60 I HN . 18702 1 513 . 1 1 60 60 ILE HA H 1 4.305 0.005 . . . . . . 60 I HA . 18702 1 514 . 1 1 60 60 ILE HB H 1 1.681 0.004 . . . . . . 60 I HB . 18702 1 515 . 1 1 60 60 ILE HG12 H 1 1.493 0.006 . . . . . . 60 I HG12 . 18702 1 516 . 1 1 60 60 ILE HG13 H 1 0.544 0.004 . . . . . . 60 I HG13 . 18702 1 517 . 1 1 60 60 ILE HG21 H 1 0.760 0.004 . . . . . . 60 I QG2 . 18702 1 518 . 1 1 60 60 ILE HG22 H 1 0.760 0.004 . . . . . . 60 I QG2 . 18702 1 519 . 1 1 60 60 ILE HG23 H 1 0.760 0.004 . . . . . . 60 I QG2 . 18702 1 520 . 1 1 60 60 ILE HD11 H 1 0.540 0.005 . . . . . . 60 I QD1 . 18702 1 521 . 1 1 60 60 ILE HD12 H 1 0.540 0.005 . . . . . . 60 I QD1 . 18702 1 522 . 1 1 60 60 ILE HD13 H 1 0.540 0.005 . . . . . . 60 I QD1 . 18702 1 523 . 1 1 60 60 ILE CA C 13 60.940 0.043 . . . . . . 60 I CA . 18702 1 524 . 1 1 60 60 ILE CB C 13 38.343 0.023 . . . . . . 60 I CB . 18702 1 525 . 1 1 60 60 ILE CG1 C 13 26.644 0.036 . . . . . . 60 I CG1 . 18702 1 526 . 1 1 60 60 ILE CG2 C 13 18.355 0.042 . . . . . . 60 I CG2 . 18702 1 527 . 1 1 60 60 ILE CD1 C 13 14.016 0.052 . . . . . . 60 I CD1 . 18702 1 528 . 1 1 61 61 MET H H 1 9.042 0.005 . . . . . . 61 M HN . 18702 1 529 . 1 1 61 61 MET HA H 1 4.736 0.004 . . . . . . 61 M HA . 18702 1 530 . 1 1 61 61 MET HB2 H 1 2.013 0.006 . . . . . . 61 M HB2 . 18702 1 531 . 1 1 61 61 MET HB3 H 1 1.867 0.003 . . . . . . 61 M HB3 . 18702 1 532 . 1 1 61 61 MET HG2 H 1 2.431 0.006 . . . . . . 61 M HG2 . 18702 1 533 . 1 1 61 61 MET HG3 H 1 2.057 0.004 . . . . . . 61 M HG3 . 18702 1 534 . 1 1 61 61 MET HE1 H 1 1.976 0.004 . . . . . . 61 M QE . 18702 1 535 . 1 1 61 61 MET HE2 H 1 1.976 0.004 . . . . . . 61 M QE . 18702 1 536 . 1 1 61 61 MET HE3 H 1 1.976 0.004 . . . . . . 61 M QE . 18702 1 537 . 1 1 61 61 MET CB C 13 36.630 0.043 . . . . . . 61 M CB . 18702 1 538 . 1 1 61 61 MET CG C 13 32.313 0.046 . . . . . . 61 M CG . 18702 1 539 . 1 1 61 61 MET CE C 13 17.057 0.045 . . . . . . 61 M CE . 18702 1 540 . 1 1 62 62 GLY H H 1 7.833 0.011 . . . . . . 62 G HN . 18702 1 541 . 1 1 62 62 GLY HA2 H 1 3.969 0.004 . . . . . . 62 G HA2 . 18702 1 542 . 1 1 62 62 GLY HA3 H 1 4.222 0.003 . . . . . . 62 G HA3 . 18702 1 543 . 1 1 62 62 GLY CA C 13 44.292 0.045 . . . . . . 62 G CA . 18702 1 544 . 1 1 63 63 PRO HA H 1 4.857 0.001 . . . . . . 63 P HA . 18702 1 545 . 1 1 63 63 PRO HB2 H 1 2.643 0.005 . . . . . . 63 P HB2 . 18702 1 546 . 1 1 63 63 PRO HB3 H 1 1.987 0.005 . . . . . . 63 P HB3 . 18702 1 547 . 1 1 63 63 PRO HG2 H 1 2.191 0.007 . . . . . . 63 P QG . 18702 1 548 . 1 1 63 63 PRO HG3 H 1 2.191 0.007 . . . . . . 63 P QG . 18702 1 549 . 1 1 63 63 PRO HD2 H 1 3.837 0.003 . . . . . . 63 P HD2 . 18702 1 550 . 1 1 63 63 PRO HD3 H 1 3.372 0.007 . . . . . . 63 P HD3 . 18702 1 551 . 1 1 63 63 PRO CB C 13 31.165 0.043 . . . . . . 63 P CB . 18702 1 552 . 1 1 63 63 PRO CG C 13 28.100 0.070 . . . . . . 63 P CG . 18702 1 553 . 1 1 63 63 PRO CD C 13 49.258 0.031 . . . . . . 63 P CD . 18702 1 554 . 1 1 64 64 PRO HA H 1 4.139 0.010 . . . . . . 64 P HA . 18702 1 555 . 1 1 64 64 PRO HB2 H 1 2.434 0.007 . . . . . . 64 P HB2 . 18702 1 556 . 1 1 64 64 PRO HB3 H 1 2.084 0.009 . . . . . . 64 P HB3 . 18702 1 557 . 1 1 64 64 PRO HG2 H 1 2.227 0.010 . . . . . . 64 P HG2 . 18702 1 558 . 1 1 64 64 PRO HG3 H 1 2.148 0.003 . . . . . . 64 P HG3 . 18702 1 559 . 1 1 64 64 PRO HD2 H 1 3.949 0.014 . . . . . . 64 P HD2 . 18702 1 560 . 1 1 64 64 PRO HD3 H 1 3.876 0.010 . . . . . . 64 P HD3 . 18702 1 561 . 1 1 64 64 PRO CA C 13 66.965 0.032 . . . . . . 64 P CA . 18702 1 562 . 1 1 64 64 PRO CB C 13 32.242 0.035 . . . . . . 64 P CB . 18702 1 563 . 1 1 64 64 PRO CG C 13 27.678 0.045 . . . . . . 64 P CG . 18702 1 564 . 1 1 64 64 PRO CD C 13 50.449 0.042 . . . . . . 64 P CD . 18702 1 565 . 1 1 65 65 ASP H H 1 8.937 0.004 . . . . . . 65 D HN . 18702 1 566 . 1 1 65 65 ASP HA H 1 4.331 0.004 . . . . . . 65 D HA . 18702 1 567 . 1 1 65 65 ASP HB2 H 1 2.788 0.002 . . . . . . 65 D HB2 . 18702 1 568 . 1 1 65 65 ASP HB3 H 1 2.607 0.002 . . . . . . 65 D HB3 . 18702 1 569 . 1 1 65 65 ASP CA C 13 56.522 0.052 . . . . . . 65 D CA . 18702 1 570 . 1 1 65 65 ASP CB C 13 39.032 0.025 . . . . . . 65 D CB . 18702 1 571 . 1 1 66 66 ARG H H 1 7.266 0.003 . . . . . . 66 R HN . 18702 1 572 . 1 1 66 66 ARG HA H 1 4.345 0.005 . . . . . . 66 R HA . 18702 1 573 . 1 1 66 66 ARG HB2 H 1 2.453 0.004 . . . . . . 66 R HB2 . 18702 1 574 . 1 1 66 66 ARG HB3 H 1 1.657 0.004 . . . . . . 66 R HB3 . 18702 1 575 . 1 1 66 66 ARG HG2 H 1 1.867 0.004 . . . . . . 66 R HG2 . 18702 1 576 . 1 1 66 66 ARG HG3 H 1 1.743 0.005 . . . . . . 66 R HG3 . 18702 1 577 . 1 1 66 66 ARG HD2 H 1 3.687 0.006 . . . . . . 66 R HD2 . 18702 1 578 . 1 1 66 66 ARG HD3 H 1 3.215 0.007 . . . . . . 66 R HD3 . 18702 1 579 . 1 1 66 66 ARG CA C 13 58.376 0.046 . . . . . . 66 R CA . 18702 1 580 . 1 1 66 66 ARG CB C 13 29.344 0.051 . . . . . . 66 R CB . 18702 1 581 . 1 1 66 66 ARG CG C 13 27.493 0.063 . . . . . . 66 R CG . 18702 1 582 . 1 1 66 66 ARG CD C 13 43.213 0.048 . . . . . . 66 R CD . 18702 1 583 . 1 1 67 67 CYS H H 1 8.057 0.007 . . . . . . 67 C HN . 18702 1 584 . 1 1 67 67 CYS HA H 1 3.803 0.006 . . . . . . 67 C HA . 18702 1 585 . 1 1 67 67 CYS HB2 H 1 3.082 0.004 . . . . . . 67 C HB2 . 18702 1 586 . 1 1 67 67 CYS HB3 H 1 2.240 0.005 . . . . . . 67 C HB3 . 18702 1 587 . 1 1 67 67 CYS CA C 13 63.609 0.035 . . . . . . 67 C CA . 18702 1 588 . 1 1 67 67 CYS CB C 13 26.271 0.029 . . . . . . 67 C CB . 18702 1 589 . 1 1 68 68 GLU H H 1 7.787 0.005 . . . . . . 68 E HN . 18702 1 590 . 1 1 68 68 GLU HA H 1 3.845 0.004 . . . . . . 68 E HA . 18702 1 591 . 1 1 68 68 GLU HB2 H 1 2.056 0.005 . . . . . . 68 E QB . 18702 1 592 . 1 1 68 68 GLU HB3 H 1 2.056 0.005 . . . . . . 68 E QB . 18702 1 593 . 1 1 68 68 GLU HG2 H 1 2.402 0.005 . . . . . . 68 E HG2 . 18702 1 594 . 1 1 68 68 GLU HG3 H 1 2.210 0.005 . . . . . . 68 E HG3 . 18702 1 595 . 1 1 68 68 GLU CA C 13 59.466 0.064 . . . . . . 68 E CA . 18702 1 596 . 1 1 68 68 GLU CB C 13 29.161 0.042 . . . . . . 68 E CB . 18702 1 597 . 1 1 68 68 GLU CG C 13 36.236 0.050 . . . . . . 68 E CG . 18702 1 598 . 1 1 69 69 HIS H H 1 7.504 0.006 . . . . . . 69 H HN . 18702 1 599 . 1 1 69 69 HIS HA H 1 4.470 0.003 . . . . . . 69 H HA . 18702 1 600 . 1 1 69 69 HIS HB2 H 1 3.540 0.002 . . . . . . 69 H HB2 . 18702 1 601 . 1 1 69 69 HIS HB3 H 1 3.224 0.003 . . . . . . 69 H HB3 . 18702 1 602 . 1 1 69 69 HIS HD2 H 1 6.912 0.005 . . . . . . 69 H HD2 . 18702 1 603 . 1 1 69 69 HIS CA C 13 57.958 0.043 . . . . . . 69 H CA . 18702 1 604 . 1 1 69 69 HIS CB C 13 31.608 0.013 . . . . . . 69 H CB . 18702 1 605 . 1 1 70 70 ALA H H 1 8.144 0.005 . . . . . . 70 A HN . 18702 1 606 . 1 1 70 70 ALA HA H 1 3.629 0.005 . . . . . . 70 A HA . 18702 1 607 . 1 1 70 70 ALA HB1 H 1 1.230 0.008 . . . . . . 70 A QB . 18702 1 608 . 1 1 70 70 ALA HB2 H 1 1.230 0.008 . . . . . . 70 A QB . 18702 1 609 . 1 1 70 70 ALA HB3 H 1 1.230 0.008 . . . . . . 70 A QB . 18702 1 610 . 1 1 70 70 ALA CA C 13 55.154 0.014 . . . . . . 70 A CA . 18702 1 611 . 1 1 70 70 ALA CB C 13 19.363 0.021 . . . . . . 70 A CB . 18702 1 612 . 1 1 71 71 ALA H H 1 8.272 0.005 . . . . . . 71 A HN . 18702 1 613 . 1 1 71 71 ALA HA H 1 3.733 0.003 . . . . . . 71 A HA . 18702 1 614 . 1 1 71 71 ALA HB1 H 1 1.356 0.005 . . . . . . 71 A QB . 18702 1 615 . 1 1 71 71 ALA HB2 H 1 1.356 0.005 . . . . . . 71 A QB . 18702 1 616 . 1 1 71 71 ALA HB3 H 1 1.356 0.005 . . . . . . 71 A QB . 18702 1 617 . 1 1 71 71 ALA CA C 13 55.557 0.014 . . . . . . 71 A CA . 18702 1 618 . 1 1 71 71 ALA CB C 13 17.768 0.034 . . . . . . 71 A CB . 18702 1 619 . 1 1 72 72 ARG H H 1 7.857 0.002 . . . . . . 72 R HN . 18702 1 620 . 1 1 72 72 ARG HA H 1 4.056 0.002 . . . . . . 72 R HA . 18702 1 621 . 1 1 72 72 ARG HB2 H 1 2.103 0.003 . . . . . . 72 R QB . 18702 1 622 . 1 1 72 72 ARG HB3 H 1 2.103 0.003 . . . . . . 72 R QB . 18702 1 623 . 1 1 72 72 ARG HG2 H 1 1.861 0.002 . . . . . . 72 R HG2 . 18702 1 624 . 1 1 72 72 ARG HG3 H 1 1.655 0.003 . . . . . . 72 R HG3 . 18702 1 625 . 1 1 72 72 ARG HD2 H 1 3.278 0.003 . . . . . . 72 R HD2 . 18702 1 626 . 1 1 72 72 ARG HD3 H 1 3.238 0.004 . . . . . . 72 R HD3 . 18702 1 627 . 1 1 72 72 ARG CA C 13 59.837 0.052 . . . . . . 72 R CA . 18702 1 628 . 1 1 72 72 ARG CB C 13 29.776 0.050 . . . . . . 72 R CB . 18702 1 629 . 1 1 72 72 ARG CG C 13 27.693 0.026 . . . . . . 72 R CG . 18702 1 630 . 1 1 72 72 ARG CD C 13 43.621 0.019 . . . . . . 72 R CD . 18702 1 631 . 1 1 73 73 ILE H H 1 8.115 0.004 . . . . . . 73 I HN . 18702 1 632 . 1 1 73 73 ILE HA H 1 3.716 0.004 . . . . . . 73 I HA . 18702 1 633 . 1 1 73 73 ILE HB H 1 1.860 0.003 . . . . . . 73 I HB . 18702 1 634 . 1 1 73 73 ILE HG12 H 1 1.705 0.006 . . . . . . 73 I HG12 . 18702 1 635 . 1 1 73 73 ILE HG13 H 1 0.988 0.002 . . . . . . 73 I HG13 . 18702 1 636 . 1 1 73 73 ILE HG21 H 1 0.876 0.005 . . . . . . 73 I QG2 . 18702 1 637 . 1 1 73 73 ILE HG22 H 1 0.876 0.005 . . . . . . 73 I QG2 . 18702 1 638 . 1 1 73 73 ILE HG23 H 1 0.876 0.005 . . . . . . 73 I QG2 . 18702 1 639 . 1 1 73 73 ILE HD11 H 1 0.528 0.003 . . . . . . 73 I QD1 . 18702 1 640 . 1 1 73 73 ILE HD12 H 1 0.528 0.003 . . . . . . 73 I QD1 . 18702 1 641 . 1 1 73 73 ILE HD13 H 1 0.528 0.003 . . . . . . 73 I QD1 . 18702 1 642 . 1 1 73 73 ILE CA C 13 65.612 0.016 . . . . . . 73 I CA . 18702 1 643 . 1 1 73 73 ILE CB C 13 37.915 0.037 . . . . . . 73 I CB . 18702 1 644 . 1 1 73 73 ILE CG1 C 13 27.996 0.050 . . . . . . 73 I CG1 . 18702 1 645 . 1 1 73 73 ILE CG2 C 13 17.583 0.050 . . . . . . 73 I CG2 . 18702 1 646 . 1 1 73 73 ILE CD1 C 13 13.544 0.048 . . . . . . 73 I CD1 . 18702 1 647 . 1 1 74 74 ILE H H 1 8.202 0.004 . . . . . . 74 I HN . 18702 1 648 . 1 1 74 74 ILE HA H 1 3.403 0.003 . . . . . . 74 I HA . 18702 1 649 . 1 1 74 74 ILE HB H 1 1.766 0.004 . . . . . . 74 I HB . 18702 1 650 . 1 1 74 74 ILE HG12 H 1 1.874 0.003 . . . . . . 74 I HG12 . 18702 1 651 . 1 1 74 74 ILE HG13 H 1 0.698 0.007 . . . . . . 74 I HG13 . 18702 1 652 . 1 1 74 74 ILE HG21 H 1 0.744 0.006 . . . . . . 74 I QG2 . 18702 1 653 . 1 1 74 74 ILE HG22 H 1 0.744 0.006 . . . . . . 74 I QG2 . 18702 1 654 . 1 1 74 74 ILE HG23 H 1 0.744 0.006 . . . . . . 74 I QG2 . 18702 1 655 . 1 1 74 74 ILE HD11 H 1 0.553 0.003 . . . . . . 74 I QD1 . 18702 1 656 . 1 1 74 74 ILE HD12 H 1 0.553 0.003 . . . . . . 74 I QD1 . 18702 1 657 . 1 1 74 74 ILE HD13 H 1 0.553 0.003 . . . . . . 74 I QD1 . 18702 1 658 . 1 1 74 74 ILE CA C 13 66.480 0.027 . . . . . . 74 I CA . 18702 1 659 . 1 1 74 74 ILE CB C 13 38.254 0.028 . . . . . . 74 I CB . 18702 1 660 . 1 1 74 74 ILE CG1 C 13 30.525 0.032 . . . . . . 74 I CG1 . 18702 1 661 . 1 1 74 74 ILE CG2 C 13 16.410 0.039 . . . . . . 74 I CG2 . 18702 1 662 . 1 1 74 74 ILE CD1 C 13 12.930 0.039 . . . . . . 74 I CD1 . 18702 1 663 . 1 1 75 75 ASN H H 1 8.506 0.006 . . . . . . 75 N HN . 18702 1 664 . 1 1 75 75 ASN HA H 1 4.397 0.006 . . . . . . 75 N HA . 18702 1 665 . 1 1 75 75 ASN HB2 H 1 2.842 0.006 . . . . . . 75 N HB2 . 18702 1 666 . 1 1 75 75 ASN HB3 H 1 2.803 0.005 . . . . . . 75 N HB3 . 18702 1 667 . 1 1 75 75 ASN HD21 H 1 7.519 0.002 . . . . . . 75 N HD21 . 18702 1 668 . 1 1 75 75 ASN HD22 H 1 6.804 0.012 . . . . . . 75 N HD22 . 18702 1 669 . 1 1 75 75 ASN CA C 13 57.522 0.033 . . . . . . 75 N CA . 18702 1 670 . 1 1 75 75 ASN CB C 13 38.616 0.030 . . . . . . 75 N CB . 18702 1 671 . 1 1 76 76 ASP H H 1 8.744 0.005 . . . . . . 76 D HN . 18702 1 672 . 1 1 76 76 ASP HA H 1 4.390 0.002 . . . . . . 76 D HA . 18702 1 673 . 1 1 76 76 ASP HB2 H 1 2.849 0.004 . . . . . . 76 D HB2 . 18702 1 674 . 1 1 76 76 ASP HB3 H 1 2.620 0.003 . . . . . . 76 D HB3 . 18702 1 675 . 1 1 76 76 ASP CA C 13 57.527 0.036 . . . . . . 76 D CA . 18702 1 676 . 1 1 76 76 ASP CB C 13 40.039 0.028 . . . . . . 76 D CB . 18702 1 677 . 1 1 77 77 LEU H H 1 8.038 0.002 . . . . . . 77 L HN . 18702 1 678 . 1 1 77 77 LEU HA H 1 4.120 0.002 . . . . . . 77 L HA . 18702 1 679 . 1 1 77 77 LEU HB2 H 1 1.884 0.002 . . . . . . 77 L HB2 . 18702 1 680 . 1 1 77 77 LEU HB3 H 1 1.771 0.002 . . . . . . 77 L HB3 . 18702 1 681 . 1 1 77 77 LEU HG H 1 1.532 0.006 . . . . . . 77 L HG . 18702 1 682 . 1 1 77 77 LEU HD11 H 1 0.848 0.002 . . . . . . 77 L QD1 . 18702 1 683 . 1 1 77 77 LEU HD12 H 1 0.848 0.002 . . . . . . 77 L QD1 . 18702 1 684 . 1 1 77 77 LEU HD13 H 1 0.848 0.002 . . . . . . 77 L QD1 . 18702 1 685 . 1 1 77 77 LEU HD21 H 1 0.861 0.001 . . . . . . 77 L QD2 . 18702 1 686 . 1 1 77 77 LEU HD22 H 1 0.861 0.001 . . . . . . 77 L QD2 . 18702 1 687 . 1 1 77 77 LEU HD23 H 1 0.861 0.001 . . . . . . 77 L QD2 . 18702 1 688 . 1 1 77 77 LEU CA C 13 58.029 0.023 . . . . . . 77 L CA . 18702 1 689 . 1 1 77 77 LEU CB C 13 41.988 0.027 . . . . . . 77 L CB . 18702 1 690 . 1 1 77 77 LEU CG C 13 27.037 0.039 . . . . . . 77 L CG . 18702 1 691 . 1 1 77 77 LEU CD1 C 13 25.562 0.027 . . . . . . 77 L CD1 . 18702 1 692 . 1 1 77 77 LEU CD2 C 13 24.024 0.019 . . . . . . 77 L CD2 . 18702 1 693 . 1 1 78 78 LEU H H 1 8.350 0.009 . . . . . . 78 L HN . 18702 1 694 . 1 1 78 78 LEU HA H 1 4.006 0.005 . . . . . . 78 L HA . 18702 1 695 . 1 1 78 78 LEU HB2 H 1 2.039 0.003 . . . . . . 78 L HB2 . 18702 1 696 . 1 1 78 78 LEU HB3 H 1 1.498 0.003 . . . . . . 78 L HB3 . 18702 1 697 . 1 1 78 78 LEU HG H 1 1.991 0.005 . . . . . . 78 L HG . 18702 1 698 . 1 1 78 78 LEU HD11 H 1 0.956 0.004 . . . . . . 78 L QD1 . 18702 1 699 . 1 1 78 78 LEU HD12 H 1 0.956 0.004 . . . . . . 78 L QD1 . 18702 1 700 . 1 1 78 78 LEU HD13 H 1 0.956 0.004 . . . . . . 78 L QD1 . 18702 1 701 . 1 1 78 78 LEU HD21 H 1 0.783 0.006 . . . . . . 78 L QD2 . 18702 1 702 . 1 1 78 78 LEU HD22 H 1 0.783 0.006 . . . . . . 78 L QD2 . 18702 1 703 . 1 1 78 78 LEU HD23 H 1 0.783 0.006 . . . . . . 78 L QD2 . 18702 1 704 . 1 1 78 78 LEU CA C 13 57.575 0.006 . . . . . . 78 L CA . 18702 1 705 . 1 1 78 78 LEU CB C 13 40.904 0.013 . . . . . . 78 L CB . 18702 1 706 . 1 1 78 78 LEU CG C 13 26.591 0.054 . . . . . . 78 L CG . 18702 1 707 . 1 1 78 78 LEU CD1 C 13 26.139 0.058 . . . . . . 78 L CD1 . 18702 1 708 . 1 1 78 78 LEU CD2 C 13 22.609 0.019 . . . . . . 78 L CD2 . 18702 1 709 . 1 1 79 79 GLN H H 1 8.298 0.003 . . . . . . 79 Q HN . 18702 1 710 . 1 1 79 79 GLN HA H 1 4.113 0.001 . . . . . . 79 Q HA . 18702 1 711 . 1 1 79 79 GLN HB2 H 1 2.210 0.004 . . . . . . 79 Q QB . 18702 1 712 . 1 1 79 79 GLN HB3 H 1 2.210 0.004 . . . . . . 79 Q QB . 18702 1 713 . 1 1 79 79 GLN HG2 H 1 2.511 0.002 . . . . . . 79 Q QG . 18702 1 714 . 1 1 79 79 GLN HG3 H 1 2.511 0.002 . . . . . . 79 Q QG . 18702 1 715 . 1 1 79 79 GLN HE21 H 1 7.439 0.007 . . . . . . 79 Q HE21 . 18702 1 716 . 1 1 79 79 GLN HE22 H 1 6.809 0.005 . . . . . . 79 Q HE22 . 18702 1 717 . 1 1 79 79 GLN CA C 13 58.238 0.017 . . . . . . 79 Q CA . 18702 1 718 . 1 1 79 79 GLN CB C 13 28.245 0.048 . . . . . . 79 Q CB . 18702 1 719 . 1 1 79 79 GLN CG C 13 33.778 0.013 . . . . . . 79 Q CG . 18702 1 720 . 1 1 80 80 SER H H 1 7.931 0.004 . . . . . . 80 S HN . 18702 1 721 . 1 1 80 80 SER HA H 1 4.354 0.005 . . . . . . 80 S HA . 18702 1 722 . 1 1 80 80 SER HB2 H 1 4.033 0.001 . . . . . . 80 S QB . 18702 1 723 . 1 1 80 80 SER HB3 H 1 4.033 0.001 . . . . . . 80 S QB . 18702 1 724 . 1 1 80 80 SER CA C 13 60.445 0.049 . . . . . . 80 S CA . 18702 1 725 . 1 1 80 80 SER CB C 13 63.375 0.019 . . . . . . 80 S CB . 18702 1 726 . 1 1 81 81 LEU H H 1 7.433 0.003 . . . . . . 81 L HN . 18702 1 727 . 1 1 81 81 LEU HA H 1 4.336 0.002 . . . . . . 81 L HA . 18702 1 728 . 1 1 81 81 LEU HB2 H 1 1.793 0.003 . . . . . . 81 L HB2 . 18702 1 729 . 1 1 81 81 LEU HB3 H 1 1.667 0.003 . . . . . . 81 L HB3 . 18702 1 730 . 1 1 81 81 LEU HG H 1 1.893 0.007 . . . . . . 81 L HG . 18702 1 731 . 1 1 81 81 LEU HD11 H 1 0.912 0.005 . . . . . . 81 L QD1 . 18702 1 732 . 1 1 81 81 LEU HD12 H 1 0.912 0.005 . . . . . . 81 L QD1 . 18702 1 733 . 1 1 81 81 LEU HD13 H 1 0.912 0.005 . . . . . . 81 L QD1 . 18702 1 734 . 1 1 81 81 LEU HD21 H 1 0.826 0.003 . . . . . . 81 L QD2 . 18702 1 735 . 1 1 81 81 LEU HD22 H 1 0.826 0.003 . . . . . . 81 L QD2 . 18702 1 736 . 1 1 81 81 LEU HD23 H 1 0.826 0.003 . . . . . . 81 L QD2 . 18702 1 737 . 1 1 81 81 LEU CA C 13 55.641 0.050 . . . . . . 81 L CA . 18702 1 738 . 1 1 81 81 LEU CB C 13 42.035 0.018 . . . . . . 81 L CB . 18702 1 739 . 1 1 81 81 LEU CG C 13 26.517 0.038 . . . . . . 81 L CG . 18702 1 740 . 1 1 81 81 LEU CD1 C 13 25.492 0.050 . . . . . . 81 L CD1 . 18702 1 741 . 1 1 81 81 LEU CD2 C 13 22.903 0.041 . . . . . . 81 L CD2 . 18702 1 742 . 1 1 82 82 ARG H H 1 7.862 0.015 . . . . . . 82 R HN . 18702 1 743 . 1 1 82 82 ARG HA H 1 4.364 0.003 . . . . . . 82 R HA . 18702 1 744 . 1 1 82 82 ARG HB2 H 1 1.948 0.003 . . . . . . 82 R QB . 18702 1 745 . 1 1 82 82 ARG HB3 H 1 1.948 0.003 . . . . . . 82 R QB . 18702 1 746 . 1 1 82 82 ARG HG2 H 1 1.684 0.004 . . . . . . 82 R QG . 18702 1 747 . 1 1 82 82 ARG HG3 H 1 1.684 0.004 . . . . . . 82 R QG . 18702 1 748 . 1 1 82 82 ARG HD2 H 1 3.231 0.005 . . . . . . 82 R QD . 18702 1 749 . 1 1 82 82 ARG HD3 H 1 3.231 0.005 . . . . . . 82 R QD . 18702 1 750 . 1 1 82 82 ARG CA C 13 56.615 0.048 . . . . . . 82 R CA . 18702 1 751 . 1 1 82 82 ARG CB C 13 30.675 0.014 . . . . . . 82 R CB . 18702 1 752 . 1 1 82 82 ARG CG C 13 27.198 0.018 . . . . . . 82 R CG . 18702 1 753 . 1 1 82 82 ARG CD C 13 43.490 0.054 . . . . . . 82 R CD . 18702 1 754 . 1 1 83 83 SER HA H 1 4.516 0.002 . . . . . . 83 S HA . 18702 1 755 . 1 1 83 83 SER HB2 H 1 3.909 0.003 . . . . . . 83 S QB . 18702 1 756 . 1 1 83 83 SER HB3 H 1 3.909 0.003 . . . . . . 83 S QB . 18702 1 757 . 1 1 83 83 SER CA C 13 58.438 0.005 . . . . . . 83 S CA . 18702 1 758 . 1 1 83 83 SER CB C 13 64.095 0.005 . . . . . . 83 S CB . 18702 1 stop_ save_