data_26867 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26867 _Entry.Title ; HADDOCK model of the complex between the KIX domain of CBP and the transactivation domain of p65 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-08-04 _Entry.Accession_date 2016-08-04 _Entry.Last_release_date 2016-08-04 _Entry.Original_release_date 2016-08-04 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Lauriane Lecoq . . . . 26867 2 L. Raiola . . . . 26867 3 N. Cyr . . . . 26867 4 P. Chabot . . . . 26867 5 G. Arseneault . . . . 26867 6 J. Omichinski . G. . . 26867 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' . 26867 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . OmichinskiGroup . 26867 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID NF-KB . 26867 'TRANSACTI DOMAIN' . 26867 'p300-CBP coactivator family' . 26867 'transactivation domain' . 26867 transcription . 26867 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 26867 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 476 26867 '15N chemical shifts' 118 26867 '1H chemical shifts' 636 26867 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 . . 2018-07-11 2016-08-04 update BMRB 'update entry citation' 26867 1 . . 2017-03-02 2016-08-04 original author 'original release' 26867 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26867 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1093/nar/gkx146 _Citation.PubMed_ID 28334776 _Citation.Full_citation . _Citation.Title ; Structural characterization of interactions between transactivation domain 1 of the p65 subunit of NF-kB and transcription regulatory factors ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 45 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1362-4962 _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 5564 _Citation.Page_last 5576 _Citation.Year 2017 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Lauriane Lecoq L. . . . 26867 1 2 Luca Raiola L. . . . 26867 1 3 Philippe Chabot P. R. . . 26867 1 4 Normand Cyr N. . . . 26867 1 5 Genevieve Arseneault G. . . . 26867 1 6 Pascale Legault P. . . . 26867 1 7 James Omichinski J. G. . . 26867 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26867 _Assembly.ID 1 _Assembly.Name 'HADDOCK model of the complex between the KIX domain of CBP and the transactivation domain of p65' _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 'not present' _Assembly.Molecular_mass 13713.4209 _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 'CREB-BINDING PROTEIN' 1 $CREB-BINDING_PROTEIN A . yes native no no . . . 26867 1 2 'TRANSCRIPTION FACTOR P65' 2 $TRANSCRIPTION_FACTOR_P65 B . yes native no no . . 'SEQUENCE CONTAINS THE P65 C-TERMINAL RESIDUE 521 TO 551.' 26867 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CREB-BINDING_PROTEIN _Entity.Sf_category entity _Entity.Sf_framecode CREB-BINDING_PROTEIN _Entity.Entry_ID 26867 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CREB-BINDING_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 ; GVRKGWHEHVTQDLRSHLVH KLVQAIFPTPDPAALKDRRM ENLVAYAKKVEGDMYESANS RDEYYHLLAEKIYKIQKELE EKRRSRL ; _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 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'KIX domain' _Entity.Mutation . _Entity.EC_number 2.3.1.48 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10339.847 _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 1 yes UNP CBP_MOUSE . P45481 . . . 'CBP-KIX contains residues 586-672.' . . . . . . . . . . 26867 1 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 2.3.1.48 EC 26867 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 . 26867 1 2 . VAL . 26867 1 3 . ARG . 26867 1 4 . LYS . 26867 1 5 . GLY . 26867 1 6 . TRP . 26867 1 7 . HIS . 26867 1 8 . GLU . 26867 1 9 . HIS . 26867 1 10 . VAL . 26867 1 11 . THR . 26867 1 12 . GLN . 26867 1 13 . ASP . 26867 1 14 . LEU . 26867 1 15 . ARG . 26867 1 16 . SER . 26867 1 17 . HIS . 26867 1 18 . LEU . 26867 1 19 . VAL . 26867 1 20 . HIS . 26867 1 21 . LYS . 26867 1 22 . LEU . 26867 1 23 . VAL . 26867 1 24 . GLN . 26867 1 25 . ALA . 26867 1 26 . ILE . 26867 1 27 . PHE . 26867 1 28 . PRO . 26867 1 29 . THR . 26867 1 30 . PRO . 26867 1 31 . ASP . 26867 1 32 . PRO . 26867 1 33 . ALA . 26867 1 34 . ALA . 26867 1 35 . LEU . 26867 1 36 . LYS . 26867 1 37 . ASP . 26867 1 38 . ARG . 26867 1 39 . ARG . 26867 1 40 . MET . 26867 1 41 . GLU . 26867 1 42 . ASN . 26867 1 43 . LEU . 26867 1 44 . VAL . 26867 1 45 . ALA . 26867 1 46 . TYR . 26867 1 47 . ALA . 26867 1 48 . LYS . 26867 1 49 . LYS . 26867 1 50 . VAL . 26867 1 51 . GLU . 26867 1 52 . GLY . 26867 1 53 . ASP . 26867 1 54 . MET . 26867 1 55 . TYR . 26867 1 56 . GLU . 26867 1 57 . SER . 26867 1 58 . ALA . 26867 1 59 . ASN . 26867 1 60 . SER . 26867 1 61 . ARG . 26867 1 62 . ASP . 26867 1 63 . GLU . 26867 1 64 . TYR . 26867 1 65 . TYR . 26867 1 66 . HIS . 26867 1 67 . LEU . 26867 1 68 . LEU . 26867 1 69 . ALA . 26867 1 70 . GLU . 26867 1 71 . LYS . 26867 1 72 . ILE . 26867 1 73 . TYR . 26867 1 74 . LYS . 26867 1 75 . ILE . 26867 1 76 . GLN . 26867 1 77 . LYS . 26867 1 78 . GLU . 26867 1 79 . LEU . 26867 1 80 . GLU . 26867 1 81 . GLU . 26867 1 82 . LYS . 26867 1 83 . ARG . 26867 1 84 . ARG . 26867 1 85 . SER . 26867 1 86 . ARG . 26867 1 87 . LEU . 26867 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 26867 1 . VAL 2 2 26867 1 . ARG 3 3 26867 1 . LYS 4 4 26867 1 . GLY 5 5 26867 1 . TRP 6 6 26867 1 . HIS 7 7 26867 1 . GLU 8 8 26867 1 . HIS 9 9 26867 1 . VAL 10 10 26867 1 . THR 11 11 26867 1 . GLN 12 12 26867 1 . ASP 13 13 26867 1 . LEU 14 14 26867 1 . ARG 15 15 26867 1 . SER 16 16 26867 1 . HIS 17 17 26867 1 . LEU 18 18 26867 1 . VAL 19 19 26867 1 . HIS 20 20 26867 1 . LYS 21 21 26867 1 . LEU 22 22 26867 1 . VAL 23 23 26867 1 . GLN 24 24 26867 1 . ALA 25 25 26867 1 . ILE 26 26 26867 1 . PHE 27 27 26867 1 . PRO 28 28 26867 1 . THR 29 29 26867 1 . PRO 30 30 26867 1 . ASP 31 31 26867 1 . PRO 32 32 26867 1 . ALA 33 33 26867 1 . ALA 34 34 26867 1 . LEU 35 35 26867 1 . LYS 36 36 26867 1 . ASP 37 37 26867 1 . ARG 38 38 26867 1 . ARG 39 39 26867 1 . MET 40 40 26867 1 . GLU 41 41 26867 1 . ASN 42 42 26867 1 . LEU 43 43 26867 1 . VAL 44 44 26867 1 . ALA 45 45 26867 1 . TYR 46 46 26867 1 . ALA 47 47 26867 1 . LYS 48 48 26867 1 . LYS 49 49 26867 1 . VAL 50 50 26867 1 . GLU 51 51 26867 1 . GLY 52 52 26867 1 . ASP 53 53 26867 1 . MET 54 54 26867 1 . TYR 55 55 26867 1 . GLU 56 56 26867 1 . SER 57 57 26867 1 . ALA 58 58 26867 1 . ASN 59 59 26867 1 . SER 60 60 26867 1 . ARG 61 61 26867 1 . ASP 62 62 26867 1 . GLU 63 63 26867 1 . TYR 64 64 26867 1 . TYR 65 65 26867 1 . HIS 66 66 26867 1 . LEU 67 67 26867 1 . LEU 68 68 26867 1 . ALA 69 69 26867 1 . GLU 70 70 26867 1 . LYS 71 71 26867 1 . ILE 72 72 26867 1 . TYR 73 73 26867 1 . LYS 74 74 26867 1 . ILE 75 75 26867 1 . GLN 76 76 26867 1 . LYS 77 77 26867 1 . GLU 78 78 26867 1 . LEU 79 79 26867 1 . GLU 80 80 26867 1 . GLU 81 81 26867 1 . LYS 82 82 26867 1 . ARG 83 83 26867 1 . ARG 84 84 26867 1 . SER 85 85 26867 1 . ARG 86 86 26867 1 . LEU 87 87 26867 1 stop_ save_ save_TRANSCRIPTION_FACTOR_P65 _Entity.Sf_category entity _Entity.Sf_framecode TRANSCRIPTION_FACTOR_P65 _Entity.Entry_ID 26867 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name TRANSCRIPTION_FACTOR_P65 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSPGYPNGLLSGDEDFSSIA DMDFSALLSQISS ; _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 33 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment 'p65 transactivation domain 1' _Entity.Mutation L523Y _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3373.5739 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'SEQUENCE CONTAINS THE P65 C-TERMINAL RESIDUE 521 TO 551.' _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 1 yes UNP TF65_HUMAN . Q04206 . . . 'For p65, the first GS residues come from a tag and the L523Y mutation was designed for concentration estimation purposes.' . . . . . . . . . . 26867 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 1 519 GLY . 26867 2 2 520 SER . 26867 2 3 521 PRO . 26867 2 4 522 GLY . 26867 2 5 523 TYR . 26867 2 6 524 PRO . 26867 2 7 525 ASN . 26867 2 8 526 GLY . 26867 2 9 527 LEU . 26867 2 10 528 LEU . 26867 2 11 529 SER . 26867 2 12 530 GLY . 26867 2 13 531 ASP . 26867 2 14 532 GLU . 26867 2 15 533 ASP . 26867 2 16 534 PHE . 26867 2 17 535 SER . 26867 2 18 536 SER . 26867 2 19 537 ILE . 26867 2 20 538 ALA . 26867 2 21 539 ASP . 26867 2 22 540 MET . 26867 2 23 541 ASP . 26867 2 24 542 PHE . 26867 2 25 543 SER . 26867 2 26 544 ALA . 26867 2 27 545 LEU . 26867 2 28 546 LEU . 26867 2 29 547 SER . 26867 2 30 548 GLN . 26867 2 31 549 ILE . 26867 2 32 550 SER . 26867 2 33 551 SER . 26867 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 . GLY 1 1 26867 2 . SER 2 2 26867 2 . PRO 3 3 26867 2 . GLY 4 4 26867 2 . TYR 5 5 26867 2 . PRO 6 6 26867 2 . ASN 7 7 26867 2 . GLY 8 8 26867 2 . LEU 9 9 26867 2 . LEU 10 10 26867 2 . SER 11 11 26867 2 . GLY 12 12 26867 2 . ASP 13 13 26867 2 . GLU 14 14 26867 2 . ASP 15 15 26867 2 . PHE 16 16 26867 2 . SER 17 17 26867 2 . SER 18 18 26867 2 . ILE 19 19 26867 2 . ALA 20 20 26867 2 . ASP 21 21 26867 2 . MET 22 22 26867 2 . ASP 23 23 26867 2 . PHE 24 24 26867 2 . SER 25 25 26867 2 . ALA 26 26 26867 2 . LEU 27 27 26867 2 . LEU 28 28 26867 2 . SER 29 29 26867 2 . GLN 30 30 26867 2 . ILE 31 31 26867 2 . SER 32 32 26867 2 . SER 33 33 26867 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 26867 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $CREB-BINDING_PROTEIN . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 26867 1 2 2 $TRANSCRIPTION_FACTOR_P65 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26867 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 26867 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $CREB-BINDING_PROTEIN . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21(DE3) DE3 . n/a . . pET21a . . . 26867 1 2 2 $TRANSCRIPTION_FACTOR_P65 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21(DE3) DE3 . n/a . . pET-His-GST-TEV . . . 26867 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26867 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C-15N KIX 0.8 mM / unlabeled p65 1.6 mM' _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 'CREB-BINDING PROTEIN' '[U-13C; U-15N]' . . 1 $CREB-BINDING_PROTEIN . . 0.8 . . mM . . . . 26867 1 2 'TRANSCRIPTION FACTOR P65' 'natural abundance' . . 2 $TRANSCRIPTION_FACTOR_P65 . . 1.6 . . mM . . . . 26867 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 26867 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C-15N KIX 0.8 mM / unlabeled p65 1.6 mM' _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 'CREB-BINDING PROTEIN' '[U-13C; U-15N]' . . 1 $CREB-BINDING_PROTEIN . . 0.8 . . mM . . . . 26867 2 2 'TRANSCRIPTION FACTOR P65' 'natural abundance' . . 2 $TRANSCRIPTION_FACTOR_P65 . . 1.6 . . mM . . . . 26867 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 26867 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C-15N p65 0.7 mM / unlabeled KIX 1.4 mM' _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 'CREB-BINDING PROTEIN' 'natural abundance' . . 1 $CREB-BINDING_PROTEIN . . 1.4 . . mM . . . . 26867 3 2 'TRANSCRIPTION FACTOR P65' '[U-13C; U-15N]' . . 2 $TRANSCRIPTION_FACTOR_P65 . . 0.7 . . mM . . . . 26867 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 26867 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C-15N p65 0.7 mM / unlabeled KIX 1.4 mM' _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 'CREB-BINDING PROTEIN' 'natural abundance' . . 1 $CREB-BINDING_PROTEIN . . 1.4 . . mM . . . . 26867 4 2 'TRANSCRIPTION FACTOR P65' '[U-13C; U-15N]' . . 2 $TRANSCRIPTION_FACTOR_P65 . . 0.7 . . mM . . . . 26867 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 26867 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH [6.5], temp [300], pressure [1], ionStrength [0.0]' 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' 0.0 . mM 26867 1 pH 6.500 . pH 26867 1 pressure 1.000 . atm 26867 1 temperature 300.000 . K 26867 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoDep _Software.Sf_category software _Software.Sf_framecode AutoDep _Software.Entry_ID 26867 _Software.ID 1 _Software.Type . _Software.Name AutoDep _Software.Version 4.3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID PDBe . . 26867 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26867 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 26867 _Software.ID 2 _Software.Type . _Software.Name CNS _Software.Version any _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 26867 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26867 2 stop_ save_ save_CcpNmr _Software.Sf_category software _Software.Sf_framecode CcpNmr _Software.Entry_ID 26867 _Software.ID 3 _Software.Type . _Software.Name CcpNmr _Software.Version any _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 26867 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26867 3 stop_ save_ save_HADDOCK _Software.Sf_category software _Software.Sf_framecode HADDOCK _Software.Entry_ID 26867 _Software.ID 4 _Software.Type . _Software.Name HADDOCK _Software.Version any _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Alexandre Bonvin' . . 26867 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26867 4 stop_ save_ save_NMRPIPE _Software.Sf_category software _Software.Sf_framecode NMRPIPE _Software.Entry_ID 26867 _Software.ID 5 _Software.Type . _Software.Name NMRPIPE _Software.Version any _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26867 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26867 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Varian_UnityInova-600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Varian_UnityInova-600 _NMR_spectrometer.Entry_ID 26867 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityInova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26867 _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 Varian_UnityInova-600 Varian UnityInova . 600 . . . 26867 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 26867 _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 '1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Varian_UnityInova-600 . . . . . . . . . . . . . . . . 26867 1 2 HNCO no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Varian_UnityInova-600 . . . . . . . . . . . . . . . . 26867 1 3 HNCACB no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Varian_UnityInova-600 . . . . . . . . . . . . . . . . 26867 1 4 CCC-TOCSY no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Varian_UnityInova-600 . . . . . . . . . . . . . . . . 26867 1 5 HCC-TOCSY no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $Varian_UnityInova-600 . . . . . . . . . . . . . . . . 26867 1 6 '1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 solution . . 1 $sample_conditions_1 . . . 1 $Varian_UnityInova-600 . . . . . . . . . . . . . . . . 26867 1 7 HCCH-COSY no . . . . . . . . . . 2 $sample_2 solution . . 1 $sample_conditions_1 . . . 1 $Varian_UnityInova-600 . . . . . . . . . . . . . . . . 26867 1 8 'Intermolecular NOESY' no . . . . . . . . . . 2 $sample_2 solution . . 1 $sample_conditions_1 . . . 1 $Varian_UnityInova-600 . . . . . . . . . . . . . . . . 26867 1 9 '1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 solution . . 1 $sample_conditions_1 . . . 1 $Varian_UnityInova-600 . . . . . . . . . . . . . . . . 26867 1 10 HNCO no . . . . . . . . . . 3 $sample_3 solution . . 1 $sample_conditions_1 . . . 1 $Varian_UnityInova-600 . . . . . . . . . . . . . . . . 26867 1 11 HNCACB no . . . . . . . . . . 3 $sample_3 solution . . 1 $sample_conditions_1 . . . 1 $Varian_UnityInova-600 . . . . . . . . . . . . . . . . 26867 1 12 HCCONH no . . . . . . . . . . 3 $sample_3 solution . . 1 $sample_conditions_1 . . . 1 $Varian_UnityInova-600 . . . . . . . . . . . . . . . . 26867 1 13 '1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 solution . . 1 $sample_conditions_1 . . . 1 $Varian_UnityInova-600 . . . . . . . . . . . . . . . . 26867 1 14 'Intermolecular NOESY' no . . . . . . . . . . 4 $sample_4 solution . . 1 $sample_conditions_1 . . . 1 $Varian_UnityInova-600 . . . . . . . . . . . . . . . . 26867 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 26867 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.25144953 . . . . . 26867 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 1 . . . . . 26867 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 0.101329118 . . . . . 26867 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 26867 _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/5g63/ebi/shifts_chainA.str.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 '1H-15N HSQC' 1 $sample_1 solution 26867 1 2 HNCO 1 $sample_1 solution 26867 1 3 HNCACB 1 $sample_1 solution 26867 1 4 CCC-TOCSY 1 $sample_1 solution 26867 1 5 HCC-TOCSY 1 $sample_1 solution 26867 1 6 '1H-13C HSQC' 2 $sample_2 solution 26867 1 7 HCCH-COSY 2 $sample_2 solution 26867 1 8 'Intermolecular NOESY' 2 $sample_2 solution 26867 1 9 '1H-15N HSQC' 3 $sample_3 solution 26867 1 10 HNCO 3 $sample_3 solution 26867 1 11 HNCACB 3 $sample_3 solution 26867 1 12 HCCONH 3 $sample_3 solution 26867 1 13 '1H-13C HSQC' 4 $sample_4 solution 26867 1 14 'Intermolecular NOESY' 4 $sample_4 solution 26867 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CNS 1 $HADDOCK 26867 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.Ambiguity_set_ID _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 GLY CA C 13 43.257 0.141 . 1 . . 1 . . 1 GLY CA . 26867 1 2 . 1 1 1 1 GLY HA2 H 1 3.890 0.004 . 1 . . 2 . . 1 GLY HA2 . 26867 1 3 . 1 1 2 2 VAL C C 13 173.228 . . 1 . . 3 . . 2 VAL C . 26867 1 4 . 1 1 2 2 VAL CA C 13 62.101 0.021 . 1 . . 4 . . 2 VAL CA . 26867 1 5 . 1 1 2 2 VAL CB C 13 33.018 0.068 . 1 . . 5 . . 2 VAL CB . 26867 1 6 . 1 1 2 2 VAL CG1 C 13 20.448 0.045 . 2 . . 6 . . 2 VAL CG1 . 26867 1 7 . 1 1 2 2 VAL CG2 C 13 21.272 0.055 . 2 . . 7 . . 2 VAL CG2 . 26867 1 8 . 1 1 2 2 VAL HA H 1 4.178 0.001 . 1 . . 8 . . 2 VAL HA . 26867 1 9 . 1 1 2 2 VAL HB H 1 2.072 0.003 . 1 . . 9 . . 2 VAL HB . 26867 1 10 . 1 1 2 2 VAL HG11 H 1 0.932 0.002 . 2 . . 10 . . 2 VAL HG11 . 26867 1 11 . 1 1 2 2 VAL HG12 H 1 0.932 0.002 . 2 . . 10 . . 2 VAL HG12 . 26867 1 12 . 1 1 2 2 VAL HG13 H 1 0.932 0.002 . 2 . . 10 . . 2 VAL HG13 . 26867 1 13 . 1 1 2 2 VAL HG21 H 1 0.926 0.006 . 2 . . 11 . . 2 VAL HG21 . 26867 1 14 . 1 1 2 2 VAL HG22 H 1 0.926 0.006 . 2 . . 11 . . 2 VAL HG22 . 26867 1 15 . 1 1 2 2 VAL HG23 H 1 0.926 0.006 . 2 . . 11 . . 2 VAL HG23 . 26867 1 16 . 1 1 3 3 ARG C C 13 173.371 . . 1 . . 12 . . 3 ARG C . 26867 1 17 . 1 1 3 3 ARG CA C 13 56.261 0.014 . 1 . . 13 . . 3 ARG CA . 26867 1 18 . 1 1 3 3 ARG CB C 13 30.903 0.032 . 1 . . 14 . . 3 ARG CB . 26867 1 19 . 1 1 3 3 ARG CD C 13 43.406 . . 1 . . 15 . . 3 ARG CD . 26867 1 20 . 1 1 3 3 ARG CG C 13 27.287 . . 1 . . 16 . . 3 ARG CG . 26867 1 21 . 1 1 3 3 ARG H H 1 8.585 0.003 . 1 . . 17 . . 3 ARG H . 26867 1 22 . 1 1 3 3 ARG N N 15 125.553 0.01 . 1 . . 18 . . 3 ARG N . 26867 1 23 . 1 1 4 4 LYS C C 13 174.077 . . 1 . . 19 . . 4 LYS C . 26867 1 24 . 1 1 4 4 LYS CA C 13 54.660 0.048 . 1 . . 20 . . 4 LYS CA . 26867 1 25 . 1 1 4 4 LYS CB C 13 33.608 0.064 . 1 . . 21 . . 4 LYS CB . 26867 1 26 . 1 1 4 4 LYS CE C 13 42.512 . . 1 . . 22 . . 4 LYS CE . 26867 1 27 . 1 1 4 4 LYS CG C 13 25.415 0.001 . 1 . . 23 . . 4 LYS CG . 26867 1 28 . 1 1 4 4 LYS H H 1 8.012 0.006 . 1 . . 24 . . 4 LYS H . 26867 1 29 . 1 1 4 4 LYS HA H 1 4.275 0.007 . 1 . . 25 . . 4 LYS HA . 26867 1 30 . 1 1 4 4 LYS HB2 H 1 1.252 0.001 . 2 . . 26 . . 4 LYS HB2 . 26867 1 31 . 1 1 4 4 LYS HB3 H 1 0.229 0.043 . 2 . . 27 . . 4 LYS HB3 . 26867 1 32 . 1 1 4 4 LYS HE2 H 1 2.992 . . 1 . . 28 . . 4 LYS HE2 . 26867 1 33 . 1 1 4 4 LYS HG2 H 1 1.166 . . 2 . . 29 . . 4 LYS HG2 . 26867 1 34 . 1 1 4 4 LYS HG3 H 1 1.248 . . 2 . . 30 . . 4 LYS HG3 . 26867 1 35 . 1 1 4 4 LYS N N 15 123.218 0.075 . 1 . . 31 . . 4 LYS N . 26867 1 36 . 1 1 5 5 GLY C C 13 173.993 . . 1 . . 32 . . 5 GLY C . 26867 1 37 . 1 1 5 5 GLY CA C 13 47.440 0.064 . 1 . . 33 . . 5 GLY CA . 26867 1 38 . 1 1 5 5 GLY H H 1 8.377 0.003 . 1 . . 34 . . 5 GLY H . 26867 1 39 . 1 1 5 5 GLY HA2 H 1 3.958 0.003 . 2 . . 35 . . 5 GLY HA2 . 26867 1 40 . 1 1 5 5 GLY HA3 H 1 3.733 0.004 . 2 . . 36 . . 5 GLY HA3 . 26867 1 41 . 1 1 5 5 GLY N N 15 109.993 0.018 . 1 . . 37 . . 5 GLY N . 26867 1 42 . 1 1 6 6 TRP C C 13 175.012 . . 1 . . 38 . . 6 TRP C . 26867 1 43 . 1 1 6 6 TRP CA C 13 58.095 0.006 . 1 . . 39 . . 6 TRP CA . 26867 1 44 . 1 1 6 6 TRP CB C 13 27.913 0.052 . 1 . . 40 . . 6 TRP CB . 26867 1 45 . 1 1 6 6 TRP H H 1 7.882 0.007 . 1 . . 41 . . 6 TRP H . 26867 1 46 . 1 1 6 6 TRP HA H 1 4.529 . . 1 . . 42 . . 6 TRP HA . 26867 1 47 . 1 1 6 6 TRP HB2 H 1 3.628 0.001 . 2 . . 43 . . 6 TRP HB2 . 26867 1 48 . 1 1 6 6 TRP HB3 H 1 3.166 0.007 . 2 . . 44 . . 6 TRP HB3 . 26867 1 49 . 1 1 6 6 TRP HE1 H 1 9.105 . . 1 . . 45 . . 6 TRP HE1 . 26867 1 50 . 1 1 6 6 TRP N N 15 118.297 0.044 . 1 . . 46 . . 6 TRP N . 26867 1 51 . 1 1 6 6 TRP NE1 N 15 128.777 . . 1 . . 47 . . 6 TRP NE1 . 26867 1 52 . 1 1 7 7 HIS C C 13 174.532 . . 1 . . 48 . . 7 HIS C . 26867 1 53 . 1 1 7 7 HIS CA C 13 56.606 0.021 . 1 . . 49 . . 7 HIS CA . 26867 1 54 . 1 1 7 7 HIS CB C 13 29.983 0.181 . 1 . . 50 . . 7 HIS CB . 26867 1 55 . 1 1 7 7 HIS H H 1 6.897 0.005 . 1 . . 51 . . 7 HIS H . 26867 1 56 . 1 1 7 7 HIS HA H 1 3.524 0.003 . 1 . . 52 . . 7 HIS HA . 26867 1 57 . 1 1 7 7 HIS HB2 H 1 2.893 . . 1 . . 53 . . 7 HIS HB2 . 26867 1 58 . 1 1 7 7 HIS N N 15 120.233 0.052 . 1 . . 54 . . 7 HIS N . 26867 1 59 . 1 1 8 8 GLU C C 13 174.034 . . 1 . . 55 . . 8 GLU C . 26867 1 60 . 1 1 8 8 GLU CA C 13 58.203 0.015 . 1 . . 56 . . 8 GLU CA . 26867 1 61 . 1 1 8 8 GLU CB C 13 29.584 0.03 . 1 . . 57 . . 8 GLU CB . 26867 1 62 . 1 1 8 8 GLU CG C 13 35.833 0.006 . 1 . . 58 . . 8 GLU CG . 26867 1 63 . 1 1 8 8 GLU H H 1 7.555 0.004 . 1 . . 59 . . 8 GLU H . 26867 1 64 . 1 1 8 8 GLU HA H 1 3.976 0.001 . 1 . . 60 . . 8 GLU HA . 26867 1 65 . 1 1 8 8 GLU HB2 H 1 1.738 0.001 . 2 . . 61 . . 8 GLU HB2 . 26867 1 66 . 1 1 8 8 GLU HB3 H 1 1.814 0.002 . 2 . . 62 . . 8 GLU HB3 . 26867 1 67 . 1 1 8 8 GLU HG2 H 1 2.075 0.004 . 1 . . 63 . . 8 GLU HG2 . 26867 1 68 . 1 1 8 8 GLU N N 15 116.294 0.019 . 1 . . 64 . . 8 GLU N . 26867 1 69 . 1 1 9 9 HIS C C 13 172.105 . . 1 . . 65 . . 9 HIS C . 26867 1 70 . 1 1 9 9 HIS CA C 13 55.140 0.107 . 1 . . 66 . . 9 HIS CA . 26867 1 71 . 1 1 9 9 HIS CB C 13 30.859 0.204 . 1 . . 67 . . 9 HIS CB . 26867 1 72 . 1 1 9 9 HIS H H 1 7.531 0.008 . 1 . . 68 . . 9 HIS H . 26867 1 73 . 1 1 9 9 HIS HA H 1 4.889 0.008 . 1 . . 69 . . 9 HIS HA . 26867 1 74 . 1 1 9 9 HIS HB2 H 1 3.618 0.014 . 2 . . 70 . . 9 HIS HB2 . 26867 1 75 . 1 1 9 9 HIS HB3 H 1 3.257 0.007 . 2 . . 71 . . 9 HIS HB3 . 26867 1 76 . 1 1 9 9 HIS N N 15 114.108 0.044 . 1 . . 72 . . 9 HIS N . 26867 1 77 . 1 1 10 10 VAL C C 13 171.736 . . 1 . . 73 . . 10 VAL C . 26867 1 78 . 1 1 10 10 VAL CA C 13 62.011 0.06 . 1 . . 74 . . 10 VAL CA . 26867 1 79 . 1 1 10 10 VAL CB C 13 33.464 0.013 . 1 . . 75 . . 10 VAL CB . 26867 1 80 . 1 1 10 10 VAL CG1 C 13 22.247 0.019 . 2 . . 76 . . 10 VAL CG1 . 26867 1 81 . 1 1 10 10 VAL CG2 C 13 21.520 0.002 . 2 . . 77 . . 10 VAL CG2 . 26867 1 82 . 1 1 10 10 VAL H H 1 7.530 0.007 . 1 . . 78 . . 10 VAL H . 26867 1 83 . 1 1 10 10 VAL HA H 1 4.538 . . 1 . . 79 . . 10 VAL HA . 26867 1 84 . 1 1 10 10 VAL HB H 1 2.268 0.002 . 1 . . 80 . . 10 VAL HB . 26867 1 85 . 1 1 10 10 VAL HG11 H 1 1.191 0.001 . 2 . . 81 . . 10 VAL HG11 . 26867 1 86 . 1 1 10 10 VAL HG12 H 1 1.191 0.001 . 2 . . 81 . . 10 VAL HG12 . 26867 1 87 . 1 1 10 10 VAL HG13 H 1 1.191 0.001 . 2 . . 81 . . 10 VAL HG13 . 26867 1 88 . 1 1 10 10 VAL HG21 H 1 1.280 0.004 . 2 . . 82 . . 10 VAL HG21 . 26867 1 89 . 1 1 10 10 VAL HG22 H 1 1.280 0.004 . 2 . . 82 . . 10 VAL HG22 . 26867 1 90 . 1 1 10 10 VAL HG23 H 1 1.280 0.004 . 2 . . 82 . . 10 VAL HG23 . 26867 1 91 . 1 1 10 10 VAL N N 15 120.423 0.02 . 1 . . 83 . . 10 VAL N . 26867 1 92 . 1 1 11 11 THR C C 13 172.773 . . 1 . . 84 . . 11 THR C . 26867 1 93 . 1 1 11 11 THR CA C 13 60.063 0.049 . 1 . . 85 . . 11 THR CA . 26867 1 94 . 1 1 11 11 THR CB C 13 71.218 0.03 . 1 . . 86 . . 11 THR CB . 26867 1 95 . 1 1 11 11 THR CG2 C 13 22.095 0.099 . 1 . . 87 . . 11 THR CG2 . 26867 1 96 . 1 1 11 11 THR H H 1 7.536 0.004 . 1 . . 88 . . 11 THR H . 26867 1 97 . 1 1 11 11 THR HA H 1 4.600 . . 1 . . 89 . . 11 THR HA . 26867 1 98 . 1 1 11 11 THR HB H 1 4.169 . . 1 . . 90 . . 11 THR HB . 26867 1 99 . 1 1 11 11 THR HG22 H 1 1.352 . . 1 . . 91 . . 11 THR HG22 . 26867 1 100 . 1 1 11 11 THR HG23 H 1 1.352 . . 1 . . 91 . . 11 THR HG23 . 26867 1 101 . 1 1 11 11 THR HG21 H 1 1.352 . . 1 . . 91 . . 11 THR HG21 . 26867 1 102 . 1 1 11 11 THR N N 15 115.100 0.03 . 1 . . 92 . . 11 THR N . 26867 1 103 . 1 1 12 12 GLN C C 13 175.263 . . 1 . . 93 . . 12 GLN C . 26867 1 104 . 1 1 12 12 GLN CA C 13 58.840 0.03 . 1 . . 94 . . 12 GLN CA . 26867 1 105 . 1 1 12 12 GLN CB C 13 28.098 0.029 . 1 . . 95 . . 12 GLN CB . 26867 1 106 . 1 1 12 12 GLN CD C 13 177.279 0.01 . 1 . . 96 . . 12 GLN CD . 26867 1 107 . 1 1 12 12 GLN CG C 13 33.690 0.027 . 1 . . 97 . . 12 GLN CG . 26867 1 108 . 1 1 12 12 GLN H H 1 8.945 0.007 . 1 . . 98 . . 12 GLN H . 26867 1 109 . 1 1 12 12 GLN HA H 1 3.836 0.002 . 1 . . 99 . . 12 GLN HA . 26867 1 110 . 1 1 12 12 GLN HB2 H 1 2.129 0.002 . 2 . . 100 . . 12 GLN HB2 . 26867 1 111 . 1 1 12 12 GLN HB3 H 1 2.066 0.001 . 2 . . 101 . . 12 GLN HB3 . 26867 1 112 . 1 1 12 12 GLN HE21 H 1 6.693 0.003 . 1 . . 102 . . 12 GLN HE21 . 26867 1 113 . 1 1 12 12 GLN HE22 H 1 7.412 0.004 . 1 . . 103 . . 12 GLN HE22 . 26867 1 114 . 1 1 12 12 GLN HG2 H 1 2.396 0.002 . 1 . . 104 . . 12 GLN HG2 . 26867 1 115 . 1 1 12 12 GLN N N 15 120.356 0.013 . 1 . . 105 . . 12 GLN N . 26867 1 116 . 1 1 12 12 GLN NE2 N 15 112.773 0.001 . 1 . . 106 . . 12 GLN NE2 . 26867 1 117 . 1 1 13 13 ASP C C 13 175.706 . . 1 . . 107 . . 13 ASP C . 26867 1 118 . 1 1 13 13 ASP CA C 13 57.028 0.018 . 1 . . 108 . . 13 ASP CA . 26867 1 119 . 1 1 13 13 ASP CB C 13 40.288 0.034 . 1 . . 109 . . 13 ASP CB . 26867 1 120 . 1 1 13 13 ASP H H 1 8.403 0.006 . 1 . . 110 . . 13 ASP H . 26867 1 121 . 1 1 13 13 ASP HA H 1 4.353 0.001 . 1 . . 111 . . 13 ASP HA . 26867 1 122 . 1 1 13 13 ASP HB2 H 1 2.605 0.001 . 1 . . 112 . . 13 ASP HB2 . 26867 1 123 . 1 1 13 13 ASP N N 15 117.689 0.015 . 1 . . 113 . . 13 ASP N . 26867 1 124 . 1 1 14 14 LEU C C 13 176.181 . . 1 . . 114 . . 14 LEU C . 26867 1 125 . 1 1 14 14 LEU CA C 13 58.196 0.07 . 1 . . 115 . . 14 LEU CA . 26867 1 126 . 1 1 14 14 LEU CB C 13 41.573 0.079 . 1 . . 116 . . 14 LEU CB . 26867 1 127 . 1 1 14 14 LEU CD1 C 13 25.637 0.022 . 2 . . 117 . . 14 LEU CD1 . 26867 1 128 . 1 1 14 14 LEU CD2 C 13 24.171 0.048 . 2 . . 118 . . 14 LEU CD2 . 26867 1 129 . 1 1 14 14 LEU CG C 13 27.636 0.013 . 1 . . 119 . . 14 LEU CG . 26867 1 130 . 1 1 14 14 LEU H H 1 7.633 0.004 . 1 . . 120 . . 14 LEU H . 26867 1 131 . 1 1 14 14 LEU HA H 1 4.275 . . 1 . . 121 . . 14 LEU HA . 26867 1 132 . 1 1 14 14 LEU HB2 H 1 1.910 . . 1 . . 122 . . 14 LEU HB2 . 26867 1 133 . 1 1 14 14 LEU HD11 H 1 1.312 0.004 . 2 . . 123 . . 14 LEU HD11 . 26867 1 134 . 1 1 14 14 LEU HD12 H 1 1.312 0.004 . 2 . . 123 . . 14 LEU HD12 . 26867 1 135 . 1 1 14 14 LEU HD13 H 1 1.312 0.004 . 2 . . 123 . . 14 LEU HD13 . 26867 1 136 . 1 1 14 14 LEU HD21 H 1 1.203 0.003 . 2 . . 124 . . 14 LEU HD21 . 26867 1 137 . 1 1 14 14 LEU HD22 H 1 1.203 0.003 . 2 . . 124 . . 14 LEU HD22 . 26867 1 138 . 1 1 14 14 LEU HD23 H 1 1.203 0.003 . 2 . . 124 . . 14 LEU HD23 . 26867 1 139 . 1 1 14 14 LEU HG H 1 1.912 0.003 . 1 . . 125 . . 14 LEU HG . 26867 1 140 . 1 1 14 14 LEU N N 15 122.813 0.027 . 1 . . 126 . . 14 LEU N . 26867 1 141 . 1 1 15 15 ARG C C 13 176.311 . . 1 . . 127 . . 15 ARG C . 26867 1 142 . 1 1 15 15 ARG CA C 13 60.367 0.005 . 1 . . 128 . . 15 ARG CA . 26867 1 143 . 1 1 15 15 ARG CB C 13 30.510 . . 1 . . 129 . . 15 ARG CB . 26867 1 144 . 1 1 15 15 ARG H H 1 7.820 0.006 . 1 . . 130 . . 15 ARG H . 26867 1 145 . 1 1 15 15 ARG HA H 1 4.037 . . 1 . . 131 . . 15 ARG HA . 26867 1 146 . 1 1 15 15 ARG N N 15 118.227 0.033 . 1 . . 132 . . 15 ARG N . 26867 1 147 . 1 1 16 16 SER C C 13 174.263 . . 1 . . 133 . . 16 SER C . 26867 1 148 . 1 1 16 16 SER CA C 13 61.634 0.139 . 1 . . 134 . . 16 SER CA . 26867 1 149 . 1 1 16 16 SER CB C 13 62.814 0.104 . 1 . . 135 . . 16 SER CB . 26867 1 150 . 1 1 16 16 SER H H 1 8.415 0.004 . 1 . . 136 . . 16 SER H . 26867 1 151 . 1 1 16 16 SER HA H 1 4.097 0.003 . 1 . . 137 . . 16 SER HA . 26867 1 152 . 1 1 16 16 SER HB2 H 1 3.988 0.001 . 2 . . 138 . . 16 SER HB2 . 26867 1 153 . 1 1 16 16 SER HB3 H 1 3.916 . . 2 . . 139 . . 16 SER HB3 . 26867 1 154 . 1 1 16 16 SER N N 15 112.682 0.02 . 1 . . 140 . . 16 SER N . 26867 1 155 . 1 1 17 17 HIS C C 13 174.784 . . 1 . . 141 . . 17 HIS C . 26867 1 156 . 1 1 17 17 HIS CA C 13 59.306 0.003 . 1 . . 142 . . 17 HIS CA . 26867 1 157 . 1 1 17 17 HIS CB C 13 29.490 0.112 . 1 . . 143 . . 17 HIS CB . 26867 1 158 . 1 1 17 17 HIS H H 1 7.976 0.004 . 1 . . 144 . . 17 HIS H . 26867 1 159 . 1 1 17 17 HIS HA H 1 4.382 . . 1 . . 145 . . 17 HIS HA . 26867 1 160 . 1 1 17 17 HIS HB2 H 1 3.508 . . 2 . . 146 . . 17 HIS HB2 . 26867 1 161 . 1 1 17 17 HIS HB3 H 1 3.340 . . 2 . . 147 . . 17 HIS HB3 . 26867 1 162 . 1 1 17 17 HIS N N 15 122.190 0.029 . 1 . . 148 . . 17 HIS N . 26867 1 163 . 1 1 18 18 LEU C C 13 176.421 . . 1 . . 149 . . 18 LEU C . 26867 1 164 . 1 1 18 18 LEU CA C 13 58.277 0.054 . 1 . . 150 . . 18 LEU CA . 26867 1 165 . 1 1 18 18 LEU CB C 13 40.462 0.073 . 1 . . 151 . . 18 LEU CB . 26867 1 166 . 1 1 18 18 LEU H H 1 8.214 0.011 . 1 . . 152 . . 18 LEU H . 26867 1 167 . 1 1 18 18 LEU HB2 H 1 2.168 . . 2 . . 153 . . 18 LEU HB2 . 26867 1 168 . 1 1 18 18 LEU HB3 H 1 1.398 . . 2 . . 154 . . 18 LEU HB3 . 26867 1 169 . 1 1 18 18 LEU N N 15 121.046 0.056 . 1 . . 155 . . 18 LEU N . 26867 1 170 . 1 1 19 19 VAL C C 13 175.194 . . 1 . . 156 . . 19 VAL C . 26867 1 171 . 1 1 19 19 VAL CA C 13 67.682 0.058 . 1 . . 157 . . 19 VAL CA . 26867 1 172 . 1 1 19 19 VAL CB C 13 31.493 0.049 . 1 . . 158 . . 19 VAL CB . 26867 1 173 . 1 1 19 19 VAL CG1 C 13 21.504 0.002 . 2 . . 159 . . 19 VAL CG1 . 26867 1 174 . 1 1 19 19 VAL CG2 C 13 23.912 0.01 . 2 . . 160 . . 19 VAL CG2 . 26867 1 175 . 1 1 19 19 VAL H H 1 8.293 0.005 . 1 . . 161 . . 19 VAL H . 26867 1 176 . 1 1 19 19 VAL HA H 1 3.432 0.003 . 1 . . 162 . . 19 VAL HA . 26867 1 177 . 1 1 19 19 VAL HB H 1 2.255 0.003 . 1 . . 163 . . 19 VAL HB . 26867 1 178 . 1 1 19 19 VAL HG11 H 1 0.852 0.001 . 2 . . 164 . . 19 VAL HG11 . 26867 1 179 . 1 1 19 19 VAL HG12 H 1 0.852 0.001 . 2 . . 164 . . 19 VAL HG12 . 26867 1 180 . 1 1 19 19 VAL HG13 H 1 0.852 0.001 . 2 . . 164 . . 19 VAL HG13 . 26867 1 181 . 1 1 19 19 VAL HG21 H 1 1.035 0.004 . 2 . . 165 . . 19 VAL HG21 . 26867 1 182 . 1 1 19 19 VAL HG22 H 1 1.035 0.004 . 2 . . 165 . . 19 VAL HG22 . 26867 1 183 . 1 1 19 19 VAL HG23 H 1 1.035 0.004 . 2 . . 165 . . 19 VAL HG23 . 26867 1 184 . 1 1 19 19 VAL N N 15 119.781 0.051 . 1 . . 166 . . 19 VAL N . 26867 1 185 . 1 1 20 20 HIS C C 13 174.757 . . 1 . . 167 . . 20 HIS C . 26867 1 186 . 1 1 20 20 HIS CA C 13 59.454 0.048 . 1 . . 168 . . 20 HIS CA . 26867 1 187 . 1 1 20 20 HIS CB C 13 29.401 0.05 . 1 . . 169 . . 20 HIS CB . 26867 1 188 . 1 1 20 20 HIS H H 1 7.925 0.013 . 1 . . 170 . . 20 HIS H . 26867 1 189 . 1 1 20 20 HIS HA H 1 4.225 0.007 . 1 . . 171 . . 20 HIS HA . 26867 1 190 . 1 1 20 20 HIS HB2 H 1 3.358 0.006 . 2 . . 172 . . 20 HIS HB2 . 26867 1 191 . 1 1 20 20 HIS HB3 H 1 3.265 . . 2 . . 173 . . 20 HIS HB3 . 26867 1 192 . 1 1 20 20 HIS N N 15 117.435 0.054 . 1 . . 174 . . 20 HIS N . 26867 1 193 . 1 1 21 21 LYS C C 13 176.568 . . 1 . . 175 . . 21 LYS C . 26867 1 194 . 1 1 21 21 LYS CA C 13 58.880 0.064 . 1 . . 176 . . 21 LYS CA . 26867 1 195 . 1 1 21 21 LYS CB C 13 31.872 0.02 . 1 . . 177 . . 21 LYS CB . 26867 1 196 . 1 1 21 21 LYS CE C 13 41.840 . . 1 . . 178 . . 21 LYS CE . 26867 1 197 . 1 1 21 21 LYS CG C 13 24.701 . . 1 . . 179 . . 21 LYS CG . 26867 1 198 . 1 1 21 21 LYS H H 1 8.117 0.008 . 1 . . 180 . . 21 LYS H . 26867 1 199 . 1 1 21 21 LYS N N 15 119.141 0.015 . 1 . . 181 . . 21 LYS N . 26867 1 200 . 1 1 22 22 LEU C C 13 175.272 . . 1 . . 182 . . 22 LEU C . 26867 1 201 . 1 1 22 22 LEU CA C 13 58.739 0.028 . 1 . . 183 . . 22 LEU CA . 26867 1 202 . 1 1 22 22 LEU CB C 13 42.453 0.041 . 1 . . 184 . . 22 LEU CB . 26867 1 203 . 1 1 22 22 LEU CD1 C 13 26.062 0.001 . 2 . . 185 . . 22 LEU CD1 . 26867 1 204 . 1 1 22 22 LEU CD2 C 13 24.776 . . 2 . . 186 . . 22 LEU CD2 . 26867 1 205 . 1 1 22 22 LEU H H 1 8.002 0.01 . 1 . . 187 . . 22 LEU H . 26867 1 206 . 1 1 22 22 LEU HA H 1 3.958 . . 1 . . 188 . . 22 LEU HA . 26867 1 207 . 1 1 22 22 LEU HB2 H 1 2.092 . . 2 . . 189 . . 22 LEU HB2 . 26867 1 208 . 1 1 22 22 LEU HB3 H 1 1.506 . . 2 . . 190 . . 22 LEU HB3 . 26867 1 209 . 1 1 22 22 LEU N N 15 121.242 0.024 . 1 . . 191 . . 22 LEU N . 26867 1 210 . 1 1 23 23 VAL C C 13 175.117 . . 1 . . 192 . . 23 VAL C . 26867 1 211 . 1 1 23 23 VAL CA C 13 67.536 0.011 . 1 . . 193 . . 23 VAL CA . 26867 1 212 . 1 1 23 23 VAL CB C 13 31.651 0.07 . 1 . . 194 . . 23 VAL CB . 26867 1 213 . 1 1 23 23 VAL CG1 C 13 21.758 0.031 . 2 . . 195 . . 23 VAL CG1 . 26867 1 214 . 1 1 23 23 VAL CG2 C 13 24.130 0.01 . 2 . . 196 . . 23 VAL CG2 . 26867 1 215 . 1 1 23 23 VAL H H 1 8.026 0.015 . 1 . . 197 . . 23 VAL H . 26867 1 216 . 1 1 23 23 VAL HA H 1 3.413 . . 1 . . 198 . . 23 VAL HA . 26867 1 217 . 1 1 23 23 VAL HB H 1 2.266 0.001 . 1 . . 199 . . 23 VAL HB . 26867 1 218 . 1 1 23 23 VAL HG11 H 1 0.973 0.001 . 2 . . 200 . . 23 VAL HG11 . 26867 1 219 . 1 1 23 23 VAL HG12 H 1 0.973 0.001 . 2 . . 200 . . 23 VAL HG12 . 26867 1 220 . 1 1 23 23 VAL HG13 H 1 0.973 0.001 . 2 . . 200 . . 23 VAL HG13 . 26867 1 221 . 1 1 23 23 VAL HG21 H 1 1.017 . . 2 . . 201 . . 23 VAL HG21 . 26867 1 222 . 1 1 23 23 VAL HG22 H 1 1.017 . . 2 . . 201 . . 23 VAL HG22 . 26867 1 223 . 1 1 23 23 VAL HG23 H 1 1.017 . . 2 . . 201 . . 23 VAL HG23 . 26867 1 224 . 1 1 23 23 VAL N N 15 117.765 0.113 . 1 . . 202 . . 23 VAL N . 26867 1 225 . 1 1 24 24 GLN C C 13 174.282 . . 1 . . 203 . . 24 GLN C . 26867 1 226 . 1 1 24 24 GLN CA C 13 57.716 0.08 . 1 . . 204 . . 24 GLN CA . 26867 1 227 . 1 1 24 24 GLN CB C 13 28.983 0.043 . 1 . . 205 . . 24 GLN CB . 26867 1 228 . 1 1 24 24 GLN CD C 13 177.520 0.003 . 1 . . 206 . . 24 GLN CD . 26867 1 229 . 1 1 24 24 GLN CG C 13 34.339 0.004 . 1 . . 207 . . 24 GLN CG . 26867 1 230 . 1 1 24 24 GLN H H 1 8.143 0.006 . 1 . . 208 . . 24 GLN H . 26867 1 231 . 1 1 24 24 GLN HE21 H 1 6.891 0.005 . 1 . . 209 . . 24 GLN HE21 . 26867 1 232 . 1 1 24 24 GLN HE22 H 1 7.160 0.002 . 1 . . 210 . . 24 GLN HE22 . 26867 1 233 . 1 1 24 24 GLN HG2 H 1 2.326 . . 2 . . 211 . . 24 GLN HG2 . 26867 1 234 . 1 1 24 24 GLN HG3 H 1 2.263 . . 2 . . 212 . . 24 GLN HG3 . 26867 1 235 . 1 1 24 24 GLN N N 15 116.235 0.058 . 1 . . 213 . . 24 GLN N . 26867 1 236 . 1 1 24 24 GLN NE2 N 15 111.458 0.012 . 1 . . 214 . . 24 GLN NE2 . 26867 1 237 . 1 1 25 25 ALA C C 13 175.177 . . 1 . . 215 . . 25 ALA C . 26867 1 238 . 1 1 25 25 ALA CA C 13 53.869 0.051 . 1 . . 216 . . 25 ALA CA . 26867 1 239 . 1 1 25 25 ALA CB C 13 19.010 0.046 . 1 . . 217 . . 25 ALA CB . 26867 1 240 . 1 1 25 25 ALA H H 1 7.545 0.006 . 1 . . 218 . . 25 ALA H . 26867 1 241 . 1 1 25 25 ALA HA H 1 4.101 0.002 . 1 . . 219 . . 25 ALA HA . 26867 1 242 . 1 1 25 25 ALA HB3 H 1 1.533 0.002 . 1 . . 220 . . 25 ALA HB3 . 26867 1 243 . 1 1 25 25 ALA HB2 H 1 1.533 0.002 . 1 . . 220 . . 25 ALA HB2 . 26867 1 244 . 1 1 25 25 ALA HB1 H 1 1.533 0.002 . 1 . . 220 . . 25 ALA HB1 . 26867 1 245 . 1 1 25 25 ALA N N 15 119.406 0.024 . 1 . . 221 . . 25 ALA N . 26867 1 246 . 1 1 26 26 ILE C C 13 172.291 . . 1 . . 222 . . 26 ILE C . 26867 1 247 . 1 1 26 26 ILE CA C 13 62.915 0.07 . 1 . . 223 . . 26 ILE CA . 26867 1 248 . 1 1 26 26 ILE CB C 13 39.115 0.068 . 1 . . 224 . . 26 ILE CB . 26867 1 249 . 1 1 26 26 ILE CD1 C 13 14.206 0.08 . 1 . . 225 . . 26 ILE CD1 . 26867 1 250 . 1 1 26 26 ILE CG2 C 13 18.466 0.069 . 1 . . 226 . . 26 ILE CG2 . 26867 1 251 . 1 1 26 26 ILE H H 1 7.425 0.008 . 1 . . 227 . . 26 ILE H . 26867 1 252 . 1 1 26 26 ILE HA H 1 3.812 . . 1 . . 228 . . 26 ILE HA . 26867 1 253 . 1 1 26 26 ILE HB H 1 1.845 0.005 . 1 . . 229 . . 26 ILE HB . 26867 1 254 . 1 1 26 26 ILE HD11 H 1 0.868 0.003 . 1 . . 230 . . 26 ILE HD11 . 26867 1 255 . 1 1 26 26 ILE HD12 H 1 0.868 0.003 . 1 . . 230 . . 26 ILE HD12 . 26867 1 256 . 1 1 26 26 ILE HD13 H 1 0.868 0.003 . 1 . . 230 . . 26 ILE HD13 . 26867 1 257 . 1 1 26 26 ILE HG22 H 1 0.786 0.009 . 1 . . 231 . . 26 ILE HG22 . 26867 1 258 . 1 1 26 26 ILE HG23 H 1 0.786 0.009 . 1 . . 231 . . 26 ILE HG23 . 26867 1 259 . 1 1 26 26 ILE HG21 H 1 0.786 0.009 . 1 . . 231 . . 26 ILE HG21 . 26867 1 260 . 1 1 26 26 ILE N N 15 115.141 0.032 . 1 . . 232 . . 26 ILE N . 26867 1 261 . 1 1 27 27 PHE CA C 13 54.670 0.019 . 1 . . 233 . . 27 PHE CA . 26867 1 262 . 1 1 27 27 PHE CB C 13 40.843 0.046 . 1 . . 234 . . 27 PHE CB . 26867 1 263 . 1 1 27 27 PHE H H 1 8.289 0.004 . 1 . . 235 . . 27 PHE H . 26867 1 264 . 1 1 27 27 PHE HA H 1 4.934 . . 1 . . 236 . . 27 PHE HA . 26867 1 265 . 1 1 27 27 PHE HB2 H 1 3.085 . . 2 . . 237 . . 27 PHE HB2 . 26867 1 266 . 1 1 27 27 PHE HB3 H 1 2.612 0.005 . 2 . . 238 . . 27 PHE HB3 . 26867 1 267 . 1 1 27 27 PHE N N 15 119.419 0.138 . 1 . . 239 . . 27 PHE N . 26867 1 268 . 1 1 28 28 PRO C C 13 174.435 . . 1 . . 240 . . 28 PRO C . 26867 1 269 . 1 1 28 28 PRO CA C 13 63.718 0.064 . 1 . . 241 . . 28 PRO CA . 26867 1 270 . 1 1 28 28 PRO CB C 13 31.559 0.063 . 1 . . 242 . . 28 PRO CB . 26867 1 271 . 1 1 28 28 PRO CD C 13 50.154 0.013 . 1 . . 243 . . 28 PRO CD . 26867 1 272 . 1 1 28 28 PRO CG C 13 27.112 0.058 . 1 . . 244 . . 28 PRO CG . 26867 1 273 . 1 1 28 28 PRO HA H 1 4.501 0.003 . 1 . . 245 . . 28 PRO HA . 26867 1 274 . 1 1 28 28 PRO HB2 H 1 2.198 0.003 . 2 . . 246 . . 28 PRO HB2 . 26867 1 275 . 1 1 28 28 PRO HB3 H 1 1.867 0.001 . 2 . . 247 . . 28 PRO HB3 . 26867 1 276 . 1 1 28 28 PRO HD2 H 1 3.388 0.005 . 2 . . 248 . . 28 PRO HD2 . 26867 1 277 . 1 1 28 28 PRO HD3 H 1 3.384 0.006 . 2 . . 249 . . 28 PRO HD3 . 26867 1 278 . 1 1 28 28 PRO HG2 H 1 1.903 0.013 . 1 . . 250 . . 28 PRO HG2 . 26867 1 279 . 1 1 29 29 THR CA C 13 58.361 0.056 . 1 . . 251 . . 29 THR CA . 26867 1 280 . 1 1 29 29 THR CB C 13 69.875 0.045 . 1 . . 252 . . 29 THR CB . 26867 1 281 . 1 1 29 29 THR CG2 C 13 21.114 0.032 . 1 . . 253 . . 29 THR CG2 . 26867 1 282 . 1 1 29 29 THR H H 1 8.000 0.005 . 1 . . 254 . . 29 THR H . 26867 1 283 . 1 1 29 29 THR HA H 1 4.595 0.003 . 1 . . 255 . . 29 THR HA . 26867 1 284 . 1 1 29 29 THR HB H 1 4.061 0.002 . 1 . . 256 . . 29 THR HB . 26867 1 285 . 1 1 29 29 THR HG22 H 1 1.117 0.002 . 1 . . 257 . . 29 THR HG22 . 26867 1 286 . 1 1 29 29 THR HG23 H 1 1.117 0.002 . 1 . . 257 . . 29 THR HG23 . 26867 1 287 . 1 1 29 29 THR HG21 H 1 1.117 0.002 . 1 . . 257 . . 29 THR HG21 . 26867 1 288 . 1 1 29 29 THR N N 15 115.250 0.05 . 1 . . 258 . . 29 THR N . 26867 1 289 . 1 1 30 30 PRO C C 13 173.475 . . 1 . . 259 . . 30 PRO C . 26867 1 290 . 1 1 30 30 PRO CA C 13 63.526 0.058 . 1 . . 260 . . 30 PRO CA . 26867 1 291 . 1 1 30 30 PRO CB C 13 31.889 . . 1 . . 261 . . 30 PRO CB . 26867 1 292 . 1 1 30 30 PRO CD C 13 50.771 0.017 . 1 . . 262 . . 30 PRO CD . 26867 1 293 . 1 1 30 30 PRO CG C 13 27.073 . . 1 . . 263 . . 30 PRO CG . 26867 1 294 . 1 1 30 30 PRO HA H 1 4.341 . . 1 . . 264 . . 30 PRO HA . 26867 1 295 . 1 1 30 30 PRO HD2 H 1 3.615 0.002 . 2 . . 265 . . 30 PRO HD2 . 26867 1 296 . 1 1 30 30 PRO HD3 H 1 3.702 0.015 . 2 . . 266 . . 30 PRO HD3 . 26867 1 297 . 1 1 31 31 ASP CA C 13 51.340 0.037 . 1 . . 267 . . 31 ASP CA . 26867 1 298 . 1 1 31 31 ASP CB C 13 41.994 0.035 . 1 . . 268 . . 31 ASP CB . 26867 1 299 . 1 1 31 31 ASP H H 1 7.905 0.009 . 1 . . 269 . . 31 ASP H . 26867 1 300 . 1 1 31 31 ASP HA H 1 4.929 0.003 . 1 . . 270 . . 31 ASP HA . 26867 1 301 . 1 1 31 31 ASP HB2 H 1 2.614 0.007 . 2 . . 271 . . 31 ASP HB2 . 26867 1 302 . 1 1 31 31 ASP HB3 H 1 2.818 . . 2 . . 272 . . 31 ASP HB3 . 26867 1 303 . 1 1 31 31 ASP N N 15 119.712 0.046 . 1 . . 273 . . 31 ASP N . 26867 1 304 . 1 1 32 32 PRO C C 13 175.404 . . 1 . . 274 . . 32 PRO C . 26867 1 305 . 1 1 32 32 PRO CA C 13 64.646 0.042 . 1 . . 275 . . 32 PRO CA . 26867 1 306 . 1 1 32 32 PRO CB C 13 32.000 0.01 . 1 . . 276 . . 32 PRO CB . 26867 1 307 . 1 1 32 32 PRO CD C 13 50.976 0.023 . 1 . . 277 . . 32 PRO CD . 26867 1 308 . 1 1 32 32 PRO CG C 13 27.326 . . 1 . . 278 . . 32 PRO CG . 26867 1 309 . 1 1 32 32 PRO HA H 1 4.195 0.003 . 1 . . 279 . . 32 PRO HA . 26867 1 310 . 1 1 32 32 PRO HD2 H 1 3.900 0.001 . 1 . . 280 . . 32 PRO HD2 . 26867 1 311 . 1 1 33 33 ALA C C 13 176.552 . . 1 . . 281 . . 33 ALA C . 26867 1 312 . 1 1 33 33 ALA CA C 13 53.814 0.045 . 1 . . 282 . . 33 ALA CA . 26867 1 313 . 1 1 33 33 ALA CB C 13 18.411 0.077 . 1 . . 283 . . 33 ALA CB . 26867 1 314 . 1 1 33 33 ALA H H 1 8.314 0.006 . 1 . . 284 . . 33 ALA H . 26867 1 315 . 1 1 33 33 ALA HA H 1 4.150 0.004 . 1 . . 285 . . 33 ALA HA . 26867 1 316 . 1 1 33 33 ALA HB3 H 1 1.417 0.004 . 1 . . 286 . . 33 ALA HB3 . 26867 1 317 . 1 1 33 33 ALA HB2 H 1 1.417 0.004 . 1 . . 286 . . 33 ALA HB2 . 26867 1 318 . 1 1 33 33 ALA HB1 H 1 1.417 0.004 . 1 . . 286 . . 33 ALA HB1 . 26867 1 319 . 1 1 33 33 ALA N N 15 120.808 0.018 . 1 . . 287 . . 33 ALA N . 26867 1 320 . 1 1 34 34 ALA C C 13 175.617 . . 1 . . 288 . . 34 ALA C . 26867 1 321 . 1 1 34 34 ALA CA C 13 53.597 0.053 . 1 . . 289 . . 34 ALA CA . 26867 1 322 . 1 1 34 34 ALA CB C 13 18.981 0.116 . 1 . . 290 . . 34 ALA CB . 26867 1 323 . 1 1 34 34 ALA H H 1 7.780 0.004 . 1 . . 291 . . 34 ALA H . 26867 1 324 . 1 1 34 34 ALA HA H 1 4.231 0.007 . 1 . . 292 . . 34 ALA HA . 26867 1 325 . 1 1 34 34 ALA HB3 H 1 1.507 0.011 . 1 . . 293 . . 34 ALA HB3 . 26867 1 326 . 1 1 34 34 ALA HB2 H 1 1.507 0.011 . 1 . . 293 . . 34 ALA HB2 . 26867 1 327 . 1 1 34 34 ALA HB1 H 1 1.507 0.011 . 1 . . 293 . . 34 ALA HB1 . 26867 1 328 . 1 1 34 34 ALA N N 15 120.910 0.013 . 1 . . 294 . . 34 ALA N . 26867 1 329 . 1 1 35 35 LEU C C 13 174.794 . . 1 . . 295 . . 35 LEU C . 26867 1 330 . 1 1 35 35 LEU CA C 13 56.137 0.042 . 1 . . 296 . . 35 LEU CA . 26867 1 331 . 1 1 35 35 LEU CB C 13 41.604 0.025 . 1 . . 297 . . 35 LEU CB . 26867 1 332 . 1 1 35 35 LEU CD1 C 13 25.123 0.043 . 1 . . 298 . . 35 LEU CD1 . 26867 1 333 . 1 1 35 35 LEU H H 1 7.516 0.013 . 1 . . 299 . . 35 LEU H . 26867 1 334 . 1 1 35 35 LEU HA H 1 4.143 0.005 . 1 . . 300 . . 35 LEU HA . 26867 1 335 . 1 1 35 35 LEU HD12 H 1 0.876 0.005 . 1 . . 301 . . 35 LEU HD12 . 26867 1 336 . 1 1 35 35 LEU HD11 H 1 0.876 0.005 . 1 . . 301 . . 35 LEU HD11 . 26867 1 337 . 1 1 35 35 LEU HD13 H 1 0.876 0.005 . 1 . . 301 . . 35 LEU HD13 . 26867 1 338 . 1 1 35 35 LEU N N 15 116.262 0.106 . 1 . . 302 . . 35 LEU N . 26867 1 339 . 1 1 36 36 LYS C C 13 173.495 . . 1 . . 303 . . 36 LYS C . 26867 1 340 . 1 1 36 36 LYS CA C 13 56.122 0.023 . 1 . . 304 . . 36 LYS CA . 26867 1 341 . 1 1 36 36 LYS CB C 13 32.610 0.036 . 1 . . 305 . . 36 LYS CB . 26867 1 342 . 1 1 36 36 LYS CD C 13 29.216 0.003 . 1 . . 306 . . 36 LYS CD . 26867 1 343 . 1 1 36 36 LYS CE C 13 42.101 0.001 . 1 . . 307 . . 36 LYS CE . 26867 1 344 . 1 1 36 36 LYS CG C 13 24.859 0.051 . 1 . . 308 . . 36 LYS CG . 26867 1 345 . 1 1 36 36 LYS H H 1 7.681 0.017 . 1 . . 309 . . 36 LYS H . 26867 1 346 . 1 1 36 36 LYS HA H 1 4.297 0.003 . 1 . . 310 . . 36 LYS HA . 26867 1 347 . 1 1 36 36 LYS HB2 H 1 1.929 0.004 . 2 . . 311 . . 36 LYS HB2 . 26867 1 348 . 1 1 36 36 LYS HB3 H 1 1.786 0.002 . 2 . . 312 . . 36 LYS HB3 . 26867 1 349 . 1 1 36 36 LYS HD2 H 1 1.680 0.003 . 1 . . 313 . . 36 LYS HD2 . 26867 1 350 . 1 1 36 36 LYS HE2 H 1 2.983 0.002 . 1 . . 314 . . 36 LYS HE2 . 26867 1 351 . 1 1 36 36 LYS HG2 H 1 1.400 0.003 . 2 . . 315 . . 36 LYS HG2 . 26867 1 352 . 1 1 36 36 LYS HG3 H 1 1.442 0.002 . 2 . . 316 . . 36 LYS HG3 . 26867 1 353 . 1 1 36 36 LYS N N 15 118.072 0.112 . 1 . . 317 . . 36 LYS N . 26867 1 354 . 1 1 37 37 ASP C C 13 174.643 . . 1 . . 318 . . 37 ASP C . 26867 1 355 . 1 1 37 37 ASP CA C 13 54.331 0.036 . 1 . . 319 . . 37 ASP CA . 26867 1 356 . 1 1 37 37 ASP CB C 13 42.577 0.063 . 1 . . 320 . . 37 ASP CB . 26867 1 357 . 1 1 37 37 ASP H H 1 7.718 0.015 . 1 . . 321 . . 37 ASP H . 26867 1 358 . 1 1 37 37 ASP HA H 1 4.557 0.005 . 1 . . 322 . . 37 ASP HA . 26867 1 359 . 1 1 37 37 ASP HB2 H 1 2.773 0.003 . 1 . . 323 . . 37 ASP HB2 . 26867 1 360 . 1 1 37 37 ASP N N 15 120.971 0.041 . 1 . . 324 . . 37 ASP N . 26867 1 361 . 1 1 38 38 ARG C C 13 175.150 . . 1 . . 325 . . 38 ARG C . 26867 1 362 . 1 1 38 38 ARG CA C 13 58.195 . . 1 . . 326 . . 38 ARG CA . 26867 1 363 . 1 1 38 38 ARG CB C 13 29.749 . . 1 . . 327 . . 38 ARG CB . 26867 1 364 . 1 1 38 38 ARG CD C 13 43.179 . . 1 . . 328 . . 38 ARG CD . 26867 1 365 . 1 1 38 38 ARG H H 1 8.691 0.015 . 1 . . 329 . . 38 ARG H . 26867 1 366 . 1 1 38 38 ARG N N 15 124.540 0.127 . 1 . . 330 . . 38 ARG N . 26867 1 367 . 1 1 39 39 ARG C C 13 175.555 . . 1 . . 331 . . 39 ARG C . 26867 1 368 . 1 1 39 39 ARG CA C 13 58.609 0.035 . 1 . . 332 . . 39 ARG CA . 26867 1 369 . 1 1 39 39 ARG CB C 13 30.012 0.004 . 1 . . 333 . . 39 ARG CB . 26867 1 370 . 1 1 39 39 ARG CD C 13 43.412 0.054 . 1 . . 334 . . 39 ARG CD . 26867 1 371 . 1 1 39 39 ARG CG C 13 27.461 0.002 . 1 . . 335 . . 39 ARG CG . 26867 1 372 . 1 1 39 39 ARG H H 1 8.803 0.023 . 1 . . 336 . . 39 ARG H . 26867 1 373 . 1 1 39 39 ARG HA H 1 4.170 . . 1 . . 337 . . 39 ARG HA . 26867 1 374 . 1 1 39 39 ARG HB2 H 1 1.830 . . 1 . . 338 . . 39 ARG HB2 . 26867 1 375 . 1 1 39 39 ARG HD2 H 1 3.198 0.013 . 1 . . 339 . . 39 ARG HD2 . 26867 1 376 . 1 1 39 39 ARG HG2 H 1 1.691 0.002 . 1 . . 340 . . 39 ARG HG2 . 26867 1 377 . 1 1 39 39 ARG N N 15 119.209 0.073 . 1 . . 341 . . 39 ARG N . 26867 1 378 . 1 1 40 40 MET C C 13 174.937 . . 1 . . 342 . . 40 MET C . 26867 1 379 . 1 1 40 40 MET CA C 13 56.061 0.07 . 1 . . 343 . . 40 MET CA . 26867 1 380 . 1 1 40 40 MET CB C 13 31.622 . . 1 . . 344 . . 40 MET CB . 26867 1 381 . 1 1 40 40 MET CE C 13 17.310 0.069 . 1 . . 345 . . 40 MET CE . 26867 1 382 . 1 1 40 40 MET CG C 13 32.687 0.05 . 1 . . 346 . . 40 MET CG . 26867 1 383 . 1 1 40 40 MET H H 1 8.006 0.01 . 1 . . 347 . . 40 MET H . 26867 1 384 . 1 1 40 40 MET HA H 1 4.434 0.029 . 1 . . 348 . . 40 MET HA . 26867 1 385 . 1 1 40 40 MET HB2 H 1 2.031 . . 1 . . 349 . . 40 MET HB2 . 26867 1 386 . 1 1 40 40 MET HE2 H 1 1.854 0.005 . 1 . . 350 . . 40 MET HE2 . 26867 1 387 . 1 1 40 40 MET HE3 H 1 1.854 0.005 . 1 . . 350 . . 40 MET HE3 . 26867 1 388 . 1 1 40 40 MET HE1 H 1 1.854 0.005 . 1 . . 350 . . 40 MET HE1 . 26867 1 389 . 1 1 40 40 MET HG2 H 1 2.623 0.004 . 2 . . 351 . . 40 MET HG2 . 26867 1 390 . 1 1 40 40 MET HG3 H 1 2.432 0.004 . 2 . . 352 . . 40 MET HG3 . 26867 1 391 . 1 1 40 40 MET N N 15 117.058 0.082 . 1 . . 353 . . 40 MET N . 26867 1 392 . 1 1 41 41 GLU C C 13 176.383 . . 1 . . 354 . . 41 GLU C . 26867 1 393 . 1 1 41 41 GLU CA C 13 59.984 0.02 . 1 . . 355 . . 41 GLU CA . 26867 1 394 . 1 1 41 41 GLU CB C 13 29.391 0.013 . 1 . . 356 . . 41 GLU CB . 26867 1 395 . 1 1 41 41 GLU CG C 13 36.344 0.003 . 1 . . 357 . . 41 GLU CG . 26867 1 396 . 1 1 41 41 GLU H H 1 7.988 0.007 . 1 . . 358 . . 41 GLU H . 26867 1 397 . 1 1 41 41 GLU HA H 1 3.970 0.003 . 1 . . 359 . . 41 GLU HA . 26867 1 398 . 1 1 41 41 GLU HB2 H 1 2.044 0.002 . 1 . . 360 . . 41 GLU HB2 . 26867 1 399 . 1 1 41 41 GLU HG2 H 1 2.353 0.001 . 1 . . 361 . . 41 GLU HG2 . 26867 1 400 . 1 1 41 41 GLU N N 15 119.590 0.026 . 1 . . 362 . . 41 GLU N . 26867 1 401 . 1 1 42 42 ASN C C 13 174.860 . . 1 . . 363 . . 42 ASN C . 26867 1 402 . 1 1 42 42 ASN CA C 13 55.874 0.096 . 1 . . 364 . . 42 ASN CA . 26867 1 403 . 1 1 42 42 ASN CB C 13 37.863 0.049 . 1 . . 365 . . 42 ASN CB . 26867 1 404 . 1 1 42 42 ASN CG C 13 172.938 0.004 . 1 . . 366 . . 42 ASN CG . 26867 1 405 . 1 1 42 42 ASN H H 1 8.382 0.01 . 1 . . 367 . . 42 ASN H . 26867 1 406 . 1 1 42 42 ASN HA H 1 4.576 . . 1 . . 368 . . 42 ASN HA . 26867 1 407 . 1 1 42 42 ASN HB2 H 1 2.759 0.007 . 2 . . 369 . . 42 ASN HB2 . 26867 1 408 . 1 1 42 42 ASN HB3 H 1 2.916 0.014 . 2 . . 370 . . 42 ASN HB3 . 26867 1 409 . 1 1 42 42 ASN HD21 H 1 6.964 0.002 . 1 . . 371 . . 42 ASN HD21 . 26867 1 410 . 1 1 42 42 ASN HD22 H 1 7.613 0.008 . 1 . . 372 . . 42 ASN HD22 . 26867 1 411 . 1 1 42 42 ASN N N 15 117.620 0.029 . 1 . . 373 . . 42 ASN N . 26867 1 412 . 1 1 42 42 ASN ND2 N 15 112.089 0.001 . 1 . . 374 . . 42 ASN ND2 . 26867 1 413 . 1 1 43 43 LEU C C 13 175.426 . . 1 . . 375 . . 43 LEU C . 26867 1 414 . 1 1 43 43 LEU CA C 13 58.180 0.001 . 1 . . 376 . . 43 LEU CA . 26867 1 415 . 1 1 43 43 LEU CB C 13 41.665 0.047 . 1 . . 377 . . 43 LEU CB . 26867 1 416 . 1 1 43 43 LEU CD1 C 13 23.067 0.055 . 2 . . 378 . . 43 LEU CD1 . 26867 1 417 . 1 1 43 43 LEU CD2 C 13 25.311 0.012 . 2 . . 379 . . 43 LEU CD2 . 26867 1 418 . 1 1 43 43 LEU CG C 13 27.499 0.006 . 1 . . 380 . . 43 LEU CG . 26867 1 419 . 1 1 43 43 LEU H H 1 7.834 0.012 . 1 . . 381 . . 43 LEU H . 26867 1 420 . 1 1 43 43 LEU HA H 1 4.146 . . 1 . . 382 . . 43 LEU HA . 26867 1 421 . 1 1 43 43 LEU HB2 H 1 1.786 0.004 . 2 . . 383 . . 43 LEU HB2 . 26867 1 422 . 1 1 43 43 LEU HB3 H 1 1.708 . . 2 . . 384 . . 43 LEU HB3 . 26867 1 423 . 1 1 43 43 LEU HD11 H 1 0.770 0.004 . 2 . . 385 . . 43 LEU HD11 . 26867 1 424 . 1 1 43 43 LEU HD12 H 1 0.770 0.004 . 2 . . 385 . . 43 LEU HD12 . 26867 1 425 . 1 1 43 43 LEU HD13 H 1 0.770 0.004 . 2 . . 385 . . 43 LEU HD13 . 26867 1 426 . 1 1 43 43 LEU HD21 H 1 1.007 0.004 . 2 . . 386 . . 43 LEU HD21 . 26867 1 427 . 1 1 43 43 LEU HD22 H 1 1.007 0.004 . 2 . . 386 . . 43 LEU HD22 . 26867 1 428 . 1 1 43 43 LEU HD23 H 1 1.007 0.004 . 2 . . 386 . . 43 LEU HD23 . 26867 1 429 . 1 1 43 43 LEU HG H 1 1.973 0.001 . 1 . . 387 . . 43 LEU HG . 26867 1 430 . 1 1 43 43 LEU N N 15 122.735 0.092 . 1 . . 388 . . 43 LEU N . 26867 1 431 . 1 1 44 44 VAL C C 13 174.791 . . 1 . . 389 . . 44 VAL C . 26867 1 432 . 1 1 44 44 VAL CA C 13 66.858 0.027 . 1 . . 390 . . 44 VAL CA . 26867 1 433 . 1 1 44 44 VAL CB C 13 31.739 0.057 . 1 . . 391 . . 44 VAL CB . 26867 1 434 . 1 1 44 44 VAL CG1 C 13 21.448 0.001 . 2 . . 392 . . 44 VAL CG1 . 26867 1 435 . 1 1 44 44 VAL CG2 C 13 23.351 0.093 . 2 . . 393 . . 44 VAL CG2 . 26867 1 436 . 1 1 44 44 VAL H H 1 8.280 0.016 . 1 . . 394 . . 44 VAL H . 26867 1 437 . 1 1 44 44 VAL HA H 1 3.452 0.003 . 1 . . 395 . . 44 VAL HA . 26867 1 438 . 1 1 44 44 VAL HB H 1 2.103 0.007 . 1 . . 396 . . 44 VAL HB . 26867 1 439 . 1 1 44 44 VAL HG11 H 1 0.917 0.001 . 2 . . 397 . . 44 VAL HG11 . 26867 1 440 . 1 1 44 44 VAL HG12 H 1 0.917 0.001 . 2 . . 397 . . 44 VAL HG12 . 26867 1 441 . 1 1 44 44 VAL HG13 H 1 0.917 0.001 . 2 . . 397 . . 44 VAL HG13 . 26867 1 442 . 1 1 44 44 VAL HG21 H 1 1.087 0.003 . 2 . . 398 . . 44 VAL HG21 . 26867 1 443 . 1 1 44 44 VAL HG22 H 1 1.087 0.003 . 2 . . 398 . . 44 VAL HG22 . 26867 1 444 . 1 1 44 44 VAL HG23 H 1 1.087 0.003 . 2 . . 398 . . 44 VAL HG23 . 26867 1 445 . 1 1 44 44 VAL N N 15 119.561 0.058 . 1 . . 399 . . 44 VAL N . 26867 1 446 . 1 1 45 45 ALA C C 13 178.093 . . 1 . . 400 . . 45 ALA C . 26867 1 447 . 1 1 45 45 ALA CA C 13 55.404 0.04 . 1 . . 401 . . 45 ALA CA . 26867 1 448 . 1 1 45 45 ALA CB C 13 18.099 0.058 . 1 . . 402 . . 45 ALA CB . 26867 1 449 . 1 1 45 45 ALA H H 1 8.008 0.018 . 1 . . 403 . . 45 ALA H . 26867 1 450 . 1 1 45 45 ALA HA H 1 4.048 0.002 . 1 . . 404 . . 45 ALA HA . 26867 1 451 . 1 1 45 45 ALA HB3 H 1 1.553 0.004 . 1 . . 405 . . 45 ALA HB3 . 26867 1 452 . 1 1 45 45 ALA HB2 H 1 1.553 0.004 . 1 . . 405 . . 45 ALA HB2 . 26867 1 453 . 1 1 45 45 ALA HB1 H 1 1.553 0.004 . 1 . . 405 . . 45 ALA HB1 . 26867 1 454 . 1 1 45 45 ALA N N 15 120.618 0.028 . 1 . . 406 . . 45 ALA N . 26867 1 455 . 1 1 46 46 TYR C C 13 173.802 . . 1 . . 407 . . 46 TYR C . 26867 1 456 . 1 1 46 46 TYR CA C 13 61.271 0.08 . 1 . . 408 . . 46 TYR CA . 26867 1 457 . 1 1 46 46 TYR CB C 13 38.270 0.051 . 1 . . 409 . . 46 TYR CB . 26867 1 458 . 1 1 46 46 TYR H H 1 7.884 0.007 . 1 . . 410 . . 46 TYR H . 26867 1 459 . 1 1 46 46 TYR HA H 1 4.234 0.007 . 1 . . 411 . . 46 TYR HA . 26867 1 460 . 1 1 46 46 TYR HB2 H 1 3.168 0.013 . 2 . . 412 . . 46 TYR HB2 . 26867 1 461 . 1 1 46 46 TYR HB3 H 1 3.294 0.004 . 2 . . 413 . . 46 TYR HB3 . 26867 1 462 . 1 1 46 46 TYR N N 15 120.055 0.023 . 1 . . 414 . . 46 TYR N . 26867 1 463 . 1 1 47 47 ALA C C 13 176.308 . . 1 . . 415 . . 47 ALA C . 26867 1 464 . 1 1 47 47 ALA CA C 13 55.209 0.02 . 1 . . 416 . . 47 ALA CA . 26867 1 465 . 1 1 47 47 ALA CB C 13 20.363 0.045 . 1 . . 417 . . 47 ALA CB . 26867 1 466 . 1 1 47 47 ALA H H 1 8.439 0.01 . 1 . . 418 . . 47 ALA H . 26867 1 467 . 1 1 47 47 ALA HA H 1 3.730 0.003 . 1 . . 419 . . 47 ALA HA . 26867 1 468 . 1 1 47 47 ALA HB3 H 1 1.551 0.005 . 1 . . 420 . . 47 ALA HB3 . 26867 1 469 . 1 1 47 47 ALA HB2 H 1 1.551 0.005 . 1 . . 420 . . 47 ALA HB2 . 26867 1 470 . 1 1 47 47 ALA HB1 H 1 1.551 0.005 . 1 . . 420 . . 47 ALA HB1 . 26867 1 471 . 1 1 47 47 ALA N N 15 122.100 0.049 . 1 . . 421 . . 47 ALA N . 26867 1 472 . 1 1 48 48 LYS C C 13 177.389 . . 1 . . 422 . . 48 LYS C . 26867 1 473 . 1 1 48 48 LYS CA C 13 59.639 0.016 . 1 . . 423 . . 48 LYS CA . 26867 1 474 . 1 1 48 48 LYS CB C 13 32.908 0.025 . 1 . . 424 . . 48 LYS CB . 26867 1 475 . 1 1 48 48 LYS CD C 13 29.775 0.051 . 1 . . 425 . . 48 LYS CD . 26867 1 476 . 1 1 48 48 LYS CE C 13 41.896 0.041 . 1 . . 426 . . 48 LYS CE . 26867 1 477 . 1 1 48 48 LYS CG C 13 26.865 0.042 . 1 . . 427 . . 48 LYS CG . 26867 1 478 . 1 1 48 48 LYS H H 1 8.686 0.005 . 1 . . 428 . . 48 LYS H . 26867 1 479 . 1 1 48 48 LYS HA H 1 4.023 . . 1 . . 429 . . 48 LYS HA . 26867 1 480 . 1 1 48 48 LYS HB2 H 1 1.854 . . 1 . . 430 . . 48 LYS HB2 . 26867 1 481 . 1 1 48 48 LYS HD2 H 1 1.645 . . 1 . . 431 . . 48 LYS HD2 . 26867 1 482 . 1 1 48 48 LYS HE2 H 1 2.901 . . 1 . . 432 . . 48 LYS HE2 . 26867 1 483 . 1 1 48 48 LYS HG2 H 1 1.385 . . 1 . . 433 . . 48 LYS HG2 . 26867 1 484 . 1 1 48 48 LYS N N 15 115.885 0.027 . 1 . . 434 . . 48 LYS N . 26867 1 485 . 1 1 49 49 LYS C C 13 175.845 . . 1 . . 435 . . 49 LYS C . 26867 1 486 . 1 1 49 49 LYS CA C 13 59.320 . . 1 . . 436 . . 49 LYS CA . 26867 1 487 . 1 1 49 49 LYS CB C 13 32.081 . . 1 . . 437 . . 49 LYS CB . 26867 1 488 . 1 1 49 49 LYS H H 1 7.802 0.004 . 1 . . 438 . . 49 LYS H . 26867 1 489 . 1 1 49 49 LYS N N 15 123.427 0.048 . 1 . . 439 . . 49 LYS N . 26867 1 490 . 1 1 50 50 VAL C C 13 175.778 . . 1 . . 440 . . 50 VAL C . 26867 1 491 . 1 1 50 50 VAL CA C 13 65.891 0.046 . 1 . . 441 . . 50 VAL CA . 26867 1 492 . 1 1 50 50 VAL CB C 13 31.749 0.051 . 1 . . 442 . . 50 VAL CB . 26867 1 493 . 1 1 50 50 VAL CG1 C 13 22.052 0.029 . 2 . . 443 . . 50 VAL CG1 . 26867 1 494 . 1 1 50 50 VAL CG2 C 13 22.005 0.031 . 2 . . 444 . . 50 VAL CG2 . 26867 1 495 . 1 1 50 50 VAL H H 1 8.039 0.006 . 1 . . 445 . . 50 VAL H . 26867 1 496 . 1 1 50 50 VAL HA H 1 3.729 0.012 . 1 . . 446 . . 50 VAL HA . 26867 1 497 . 1 1 50 50 VAL HB H 1 1.907 0.005 . 1 . . 447 . . 50 VAL HB . 26867 1 498 . 1 1 50 50 VAL HG11 H 1 0.625 0.005 . 2 . . 448 . . 50 VAL HG11 . 26867 1 499 . 1 1 50 50 VAL HG12 H 1 0.625 0.005 . 2 . . 448 . . 50 VAL HG12 . 26867 1 500 . 1 1 50 50 VAL HG13 H 1 0.625 0.005 . 2 . . 448 . . 50 VAL HG13 . 26867 1 501 . 1 1 50 50 VAL HG21 H 1 0.842 0.003 . 2 . . 449 . . 50 VAL HG21 . 26867 1 502 . 1 1 50 50 VAL HG22 H 1 0.842 0.003 . 2 . . 449 . . 50 VAL HG22 . 26867 1 503 . 1 1 50 50 VAL HG23 H 1 0.842 0.003 . 2 . . 449 . . 50 VAL HG23 . 26867 1 504 . 1 1 50 50 VAL N N 15 119.000 0.007 . 1 . . 450 . . 50 VAL N . 26867 1 505 . 1 1 51 51 GLU C C 13 175.948 . . 1 . . 451 . . 51 GLU C . 26867 1 506 . 1 1 51 51 GLU CA C 13 61.513 0.054 . 1 . . 452 . . 51 GLU CA . 26867 1 507 . 1 1 51 51 GLU CB C 13 28.775 0.083 . 1 . . 453 . . 51 GLU CB . 26867 1 508 . 1 1 51 51 GLU CG C 13 35.466 . . 1 . . 454 . . 51 GLU CG . 26867 1 509 . 1 1 51 51 GLU H H 1 8.490 0.007 . 1 . . 455 . . 51 GLU H . 26867 1 510 . 1 1 51 51 GLU HA H 1 3.888 0.008 . 1 . . 456 . . 51 GLU HA . 26867 1 511 . 1 1 51 51 GLU HB2 H 1 2.315 0.001 . 1 . . 457 . . 51 GLU HB2 . 26867 1 512 . 1 1 51 51 GLU HG2 H 1 2.370 . . 1 . . 458 . . 51 GLU HG2 . 26867 1 513 . 1 1 51 51 GLU N N 15 120.292 0.043 . 1 . . 459 . . 51 GLU N . 26867 1 514 . 1 1 52 52 GLY C C 13 173.883 . . 1 . . 460 . . 52 GLY C . 26867 1 515 . 1 1 52 52 GLY CA C 13 47.410 0.041 . 1 . . 461 . . 52 GLY CA . 26867 1 516 . 1 1 52 52 GLY H H 1 8.136 0.01 . 1 . . 462 . . 52 GLY H . 26867 1 517 . 1 1 52 52 GLY HA2 H 1 3.917 . . 2 . . 463 . . 52 GLY HA2 . 26867 1 518 . 1 1 52 52 GLY HA3 H 1 3.599 0.002 . 2 . . 464 . . 52 GLY HA3 . 26867 1 519 . 1 1 52 52 GLY N N 15 106.793 0.022 . 1 . . 465 . . 52 GLY N . 26867 1 520 . 1 1 53 53 ASP C C 13 177.310 . . 1 . . 466 . . 53 ASP C . 26867 1 521 . 1 1 53 53 ASP CA C 13 57.070 0.032 . 1 . . 467 . . 53 ASP CA . 26867 1 522 . 1 1 53 53 ASP CB C 13 40.229 0.048 . 1 . . 468 . . 53 ASP CB . 26867 1 523 . 1 1 53 53 ASP H H 1 8.218 0.005 . 1 . . 469 . . 53 ASP H . 26867 1 524 . 1 1 53 53 ASP HA H 1 4.578 0.003 . 1 . . 470 . . 53 ASP HA . 26867 1 525 . 1 1 53 53 ASP HB2 H 1 2.741 0.005 . 2 . . 471 . . 53 ASP HB2 . 26867 1 526 . 1 1 53 53 ASP HB3 H 1 2.955 0.012 . 2 . . 472 . . 53 ASP HB3 . 26867 1 527 . 1 1 53 53 ASP N N 15 122.526 0.032 . 1 . . 473 . . 53 ASP N . 26867 1 528 . 1 1 54 54 MET C C 13 174.931 . . 1 . . 474 . . 54 MET C . 26867 1 529 . 1 1 54 54 MET CA C 13 58.630 0.075 . 1 . . 475 . . 54 MET CA . 26867 1 530 . 1 1 54 54 MET CB C 13 32.708 0.193 . 1 . . 476 . . 54 MET CB . 26867 1 531 . 1 1 54 54 MET CE C 13 19.188 0.023 . 1 . . 477 . . 54 MET CE . 26867 1 532 . 1 1 54 54 MET CG C 13 33.259 0.018 . 1 . . 478 . . 54 MET CG . 26867 1 533 . 1 1 54 54 MET H H 1 8.128 0.006 . 1 . . 479 . . 54 MET H . 26867 1 534 . 1 1 54 54 MET HA H 1 4.415 0.007 . 1 . . 480 . . 54 MET HA . 26867 1 535 . 1 1 54 54 MET HB2 H 1 1.943 . . 1 . . 481 . . 54 MET HB2 . 26867 1 536 . 1 1 54 54 MET HE2 H 1 2.019 0.004 . 1 . . 482 . . 54 MET HE2 . 26867 1 537 . 1 1 54 54 MET HE3 H 1 2.019 0.004 . 1 . . 482 . . 54 MET HE3 . 26867 1 538 . 1 1 54 54 MET HE1 H 1 2.019 0.004 . 1 . . 482 . . 54 MET HE1 . 26867 1 539 . 1 1 54 54 MET HG2 H 1 2.853 0.002 . 2 . . 483 . . 54 MET HG2 . 26867 1 540 . 1 1 54 54 MET HG3 H 1 2.739 0.01 . 2 . . 484 . . 54 MET HG3 . 26867 1 541 . 1 1 54 54 MET N N 15 121.062 0.077 . 1 . . 485 . . 54 MET N . 26867 1 542 . 1 1 55 55 TYR C C 13 174.981 . . 1 . . 486 . . 55 TYR C . 26867 1 543 . 1 1 55 55 TYR CA C 13 62.021 0.075 . 1 . . 487 . . 55 TYR CA . 26867 1 544 . 1 1 55 55 TYR CB C 13 39.036 0.045 . 1 . . 488 . . 55 TYR CB . 26867 1 545 . 1 1 55 55 TYR H H 1 9.296 0.006 . 1 . . 489 . . 55 TYR H . 26867 1 546 . 1 1 55 55 TYR HA H 1 4.328 . . 1 . . 490 . . 55 TYR HA . 26867 1 547 . 1 1 55 55 TYR HB2 H 1 3.553 . . 2 . . 491 . . 55 TYR HB2 . 26867 1 548 . 1 1 55 55 TYR HB3 H 1 3.101 . . 2 . . 492 . . 55 TYR HB3 . 26867 1 549 . 1 1 55 55 TYR N N 15 121.458 0.055 . 1 . . 493 . . 55 TYR N . 26867 1 550 . 1 1 56 56 GLU C C 13 175.597 . . 1 . . 494 . . 56 GLU C . 26867 1 551 . 1 1 56 56 GLU CA C 13 58.022 0.09 . 1 . . 495 . . 56 GLU CA . 26867 1 552 . 1 1 56 56 GLU CB C 13 30.162 0.044 . 1 . . 496 . . 56 GLU CB . 26867 1 553 . 1 1 56 56 GLU CG C 13 36.251 0.061 . 1 . . 497 . . 56 GLU CG . 26867 1 554 . 1 1 56 56 GLU H H 1 7.999 0.005 . 1 . . 498 . . 56 GLU H . 26867 1 555 . 1 1 56 56 GLU HA H 1 4.263 . . 1 . . 499 . . 56 GLU HA . 26867 1 556 . 1 1 56 56 GLU HB2 H 1 2.224 . . 2 . . 500 . . 56 GLU HB2 . 26867 1 557 . 1 1 56 56 GLU HB3 H 1 2.162 . . 2 . . 501 . . 56 GLU HB3 . 26867 1 558 . 1 1 56 56 GLU HG2 H 1 2.559 0.002 . 1 . . 502 . . 56 GLU HG2 . 26867 1 559 . 1 1 56 56 GLU N N 15 114.160 0.038 . 1 . . 503 . . 56 GLU N . 26867 1 560 . 1 1 57 57 SER C C 13 172.720 . . 1 . . 504 . . 57 SER C . 26867 1 561 . 1 1 57 57 SER CA C 13 60.353 0.038 . 1 . . 505 . . 57 SER CA . 26867 1 562 . 1 1 57 57 SER CB C 13 64.474 0.025 . 1 . . 506 . . 57 SER CB . 26867 1 563 . 1 1 57 57 SER H H 1 7.995 0.007 . 1 . . 507 . . 57 SER H . 26867 1 564 . 1 1 57 57 SER HA H 1 4.420 0.002 . 1 . . 508 . . 57 SER HA . 26867 1 565 . 1 1 57 57 SER HB2 H 1 3.971 . . 1 . . 509 . . 57 SER HB2 . 26867 1 566 . 1 1 57 57 SER N N 15 112.647 0.021 . 1 . . 510 . . 57 SER N . 26867 1 567 . 1 1 58 58 ALA C C 13 175.387 . . 1 . . 511 . . 58 ALA C . 26867 1 568 . 1 1 58 58 ALA CA C 13 52.817 0.05 . 1 . . 512 . . 58 ALA CA . 26867 1 569 . 1 1 58 58 ALA CB C 13 19.563 0.052 . 1 . . 513 . . 58 ALA CB . 26867 1 570 . 1 1 58 58 ALA H H 1 8.228 0.006 . 1 . . 514 . . 58 ALA H . 26867 1 571 . 1 1 58 58 ALA HA H 1 4.215 0.004 . 1 . . 515 . . 58 ALA HA . 26867 1 572 . 1 1 58 58 ALA HB3 H 1 1.598 0.006 . 1 . . 516 . . 58 ALA HB3 . 26867 1 573 . 1 1 58 58 ALA HB2 H 1 1.598 0.006 . 1 . . 516 . . 58 ALA HB2 . 26867 1 574 . 1 1 58 58 ALA HB1 H 1 1.598 0.006 . 1 . . 516 . . 58 ALA HB1 . 26867 1 575 . 1 1 58 58 ALA N N 15 124.046 0.021 . 1 . . 517 . . 58 ALA N . 26867 1 576 . 1 1 59 59 ASN C C 13 171.305 . . 1 . . 518 . . 59 ASN C . 26867 1 577 . 1 1 59 59 ASN CA C 13 53.450 0.058 . 1 . . 519 . . 59 ASN CA . 26867 1 578 . 1 1 59 59 ASN CB C 13 40.241 0.048 . 1 . . 520 . . 59 ASN CB . 26867 1 579 . 1 1 59 59 ASN H H 1 9.174 0.005 . 1 . . 521 . . 59 ASN H . 26867 1 580 . 1 1 59 59 ASN HA H 1 5.083 0.005 . 1 . . 522 . . 59 ASN HA . 26867 1 581 . 1 1 59 59 ASN HB2 H 1 2.967 0.011 . 2 . . 523 . . 59 ASN HB2 . 26867 1 582 . 1 1 59 59 ASN HB3 H 1 2.765 . . 2 . . 524 . . 59 ASN HB3 . 26867 1 583 . 1 1 59 59 ASN HD21 H 1 7.056 . . 1 . . 525 . . 59 ASN HD21 . 26867 1 584 . 1 1 59 59 ASN HD22 H 1 8.084 . . 1 . . 526 . . 59 ASN HD22 . 26867 1 585 . 1 1 59 59 ASN N N 15 117.312 0.013 . 1 . . 527 . . 59 ASN N . 26867 1 586 . 1 1 59 59 ASN ND2 N 15 116.477 0.002 . 1 . . 528 . . 59 ASN ND2 . 26867 1 587 . 1 1 60 60 SER C C 13 169.229 . . 1 . . 529 . . 60 SER C . 26867 1 588 . 1 1 60 60 SER CA C 13 56.639 0.062 . 1 . . 530 . . 60 SER CA . 26867 1 589 . 1 1 60 60 SER CB C 13 64.999 0.09 . 1 . . 531 . . 60 SER CB . 26867 1 590 . 1 1 60 60 SER H H 1 6.914 0.006 . 1 . . 532 . . 60 SER H . 26867 1 591 . 1 1 60 60 SER HA H 1 3.728 . . 1 . . 533 . . 60 SER HA . 26867 1 592 . 1 1 60 60 SER HB2 H 1 3.935 . . 1 . . 534 . . 60 SER HB2 . 26867 1 593 . 1 1 60 60 SER N N 15 111.604 0.01 . 1 . . 535 . . 60 SER N . 26867 1 594 . 1 1 61 61 ARG C C 13 174.206 . . 1 . . 536 . . 61 ARG C . 26867 1 595 . 1 1 61 61 ARG CA C 13 58.960 0.03 . 1 . . 537 . . 61 ARG CA . 26867 1 596 . 1 1 61 61 ARG CB C 13 30.325 0.038 . 1 . . 538 . . 61 ARG CB . 26867 1 597 . 1 1 61 61 ARG CD C 13 43.768 0.01 . 1 . . 539 . . 61 ARG CD . 26867 1 598 . 1 1 61 61 ARG CG C 13 27.214 0.002 . 1 . . 540 . . 61 ARG CG . 26867 1 599 . 1 1 61 61 ARG H H 1 8.738 0.006 . 1 . . 541 . . 61 ARG H . 26867 1 600 . 1 1 61 61 ARG HA H 1 3.201 0.011 . 1 . . 542 . . 61 ARG HA . 26867 1 601 . 1 1 61 61 ARG HB2 H 1 1.933 . . 1 . . 543 . . 61 ARG HB2 . 26867 1 602 . 1 1 61 61 ARG HD2 H 1 3.358 0.003 . 1 . . 544 . . 61 ARG HD2 . 26867 1 603 . 1 1 61 61 ARG HG2 H 1 1.624 . . 1 . . 545 . . 61 ARG HG2 . 26867 1 604 . 1 1 61 61 ARG N N 15 121.921 0.021 . 1 . . 546 . . 61 ARG N . 26867 1 605 . 1 1 62 62 ASP C C 13 175.961 . . 1 . . 547 . . 62 ASP C . 26867 1 606 . 1 1 62 62 ASP CA C 13 57.268 0.088 . 1 . . 548 . . 62 ASP CA . 26867 1 607 . 1 1 62 62 ASP CB C 13 40.432 0.033 . 1 . . 549 . . 62 ASP CB . 26867 1 608 . 1 1 62 62 ASP H H 1 8.136 0.01 . 1 . . 550 . . 62 ASP H . 26867 1 609 . 1 1 62 62 ASP HA H 1 4.320 0.003 . 1 . . 551 . . 62 ASP HA . 26867 1 610 . 1 1 62 62 ASP HB2 H 1 2.524 0.001 . 1 . . 552 . . 62 ASP HB2 . 26867 1 611 . 1 1 62 62 ASP N N 15 116.792 0.077 . 1 . . 553 . . 62 ASP N . 26867 1 612 . 1 1 63 63 GLU C C 13 174.282 . . 1 . . 554 . . 63 GLU C . 26867 1 613 . 1 1 63 63 GLU CA C 13 59.410 0.045 . 1 . . 555 . . 63 GLU CA . 26867 1 614 . 1 1 63 63 GLU CB C 13 30.259 0.041 . 1 . . 556 . . 63 GLU CB . 26867 1 615 . 1 1 63 63 GLU CG C 13 36.723 0.003 . 1 . . 557 . . 63 GLU CG . 26867 1 616 . 1 1 63 63 GLU H H 1 7.740 0.005 . 1 . . 558 . . 63 GLU H . 26867 1 617 . 1 1 63 63 GLU HA H 1 3.969 0.001 . 1 . . 559 . . 63 GLU HA . 26867 1 618 . 1 1 63 63 GLU HB2 H 1 1.894 . . 1 . . 560 . . 63 GLU HB2 . 26867 1 619 . 1 1 63 63 GLU HG2 H 1 2.202 . . 2 . . 561 . . 63 GLU HG2 . 26867 1 620 . 1 1 63 63 GLU HG3 H 1 2.333 0.001 . 2 . . 562 . . 63 GLU HG3 . 26867 1 621 . 1 1 63 63 GLU N N 15 121.041 0.059 . 1 . . 563 . . 63 GLU N . 26867 1 622 . 1 1 64 64 TYR C C 13 173.286 . . 1 . . 564 . . 64 TYR C . 26867 1 623 . 1 1 64 64 TYR CA C 13 60.915 0.085 . 1 . . 565 . . 64 TYR CA . 26867 1 624 . 1 1 64 64 TYR CB C 13 38.912 0.062 . 1 . . 566 . . 64 TYR CB . 26867 1 625 . 1 1 64 64 TYR H H 1 7.330 0.007 . 1 . . 567 . . 64 TYR H . 26867 1 626 . 1 1 64 64 TYR HA H 1 3.996 0.002 . 1 . . 568 . . 64 TYR HA . 26867 1 627 . 1 1 64 64 TYR HB2 H 1 2.826 . . 2 . . 569 . . 64 TYR HB2 . 26867 1 628 . 1 1 64 64 TYR HB3 H 1 2.614 0.004 . 2 . . 570 . . 64 TYR HB3 . 26867 1 629 . 1 1 64 64 TYR N N 15 121.495 0.033 . 1 . . 571 . . 64 TYR N . 26867 1 630 . 1 1 65 65 TYR C C 13 175.834 . . 1 . . 572 . . 65 TYR C . 26867 1 631 . 1 1 65 65 TYR CA C 13 60.211 0.008 . 1 . . 573 . . 65 TYR CA . 26867 1 632 . 1 1 65 65 TYR CB C 13 37.657 0.078 . 1 . . 574 . . 65 TYR CB . 26867 1 633 . 1 1 65 65 TYR H H 1 8.145 0.005 . 1 . . 575 . . 65 TYR H . 26867 1 634 . 1 1 65 65 TYR HA H 1 3.988 . . 1 . . 576 . . 65 TYR HA . 26867 1 635 . 1 1 65 65 TYR HB2 H 1 3.098 . . 2 . . 577 . . 65 TYR HB2 . 26867 1 636 . 1 1 65 65 TYR HB3 H 1 2.975 . . 2 . . 578 . . 65 TYR HB3 . 26867 1 637 . 1 1 65 65 TYR N N 15 115.818 0.018 . 1 . . 579 . . 65 TYR N . 26867 1 638 . 1 1 66 66 HIS C C 13 174.608 . . 1 . . 580 . . 66 HIS C . 26867 1 639 . 1 1 66 66 HIS CA C 13 59.941 0.055 . 1 . . 581 . . 66 HIS CA . 26867 1 640 . 1 1 66 66 HIS CB C 13 28.922 0.11 . 1 . . 582 . . 66 HIS CB . 26867 1 641 . 1 1 66 66 HIS H H 1 8.306 0.006 . 1 . . 583 . . 66 HIS H . 26867 1 642 . 1 1 66 66 HIS HA H 1 4.255 . . 1 . . 584 . . 66 HIS HA . 26867 1 643 . 1 1 66 66 HIS HB2 H 1 3.365 0.02 . 1 . . 585 . . 66 HIS HB2 . 26867 1 644 . 1 1 66 66 HIS N N 15 118.083 0.151 . 1 . . 586 . . 66 HIS N . 26867 1 645 . 1 1 67 67 LEU C C 13 178.049 . . 1 . . 587 . . 67 LEU C . 26867 1 646 . 1 1 67 67 LEU CA C 13 57.893 0.009 . 1 . . 588 . . 67 LEU CA . 26867 1 647 . 1 1 67 67 LEU CB C 13 42.057 0.055 . 1 . . 589 . . 67 LEU CB . 26867 1 648 . 1 1 67 67 LEU CD1 C 13 22.432 0.075 . 2 . . 590 . . 67 LEU CD1 . 26867 1 649 . 1 1 67 67 LEU CD2 C 13 25.967 0.07 . 2 . . 591 . . 67 LEU CD2 . 26867 1 650 . 1 1 67 67 LEU CG C 13 27.315 . . 1 . . 592 . . 67 LEU CG . 26867 1 651 . 1 1 67 67 LEU H H 1 9.026 0.009 . 1 . . 593 . . 67 LEU H . 26867 1 652 . 1 1 67 67 LEU HA H 1 4.022 0.001 . 1 . . 594 . . 67 LEU HA . 26867 1 653 . 1 1 67 67 LEU HB2 H 1 2.084 0.004 . 1 . . 595 . . 67 LEU HB2 . 26867 1 654 . 1 1 67 67 LEU HD11 H 1 0.971 0.001 . 2 . . 596 . . 67 LEU HD11 . 26867 1 655 . 1 1 67 67 LEU HD12 H 1 0.971 0.001 . 2 . . 596 . . 67 LEU HD12 . 26867 1 656 . 1 1 67 67 LEU HD13 H 1 0.971 0.001 . 2 . . 596 . . 67 LEU HD13 . 26867 1 657 . 1 1 67 67 LEU HD21 H 1 1.013 0.001 . 2 . . 597 . . 67 LEU HD21 . 26867 1 658 . 1 1 67 67 LEU HD22 H 1 1.013 0.001 . 2 . . 597 . . 67 LEU HD22 . 26867 1 659 . 1 1 67 67 LEU HD23 H 1 1.013 0.001 . 2 . . 597 . . 67 LEU HD23 . 26867 1 660 . 1 1 67 67 LEU HG H 1 2.031 0.001 . 1 . . 598 . . 67 LEU HG . 26867 1 661 . 1 1 67 67 LEU N N 15 120.446 0.032 . 1 . . 599 . . 67 LEU N . 26867 1 662 . 1 1 68 68 LEU C C 13 175.447 . . 1 . . 600 . . 68 LEU C . 26867 1 663 . 1 1 68 68 LEU CA C 13 57.827 0.094 . 1 . . 601 . . 68 LEU CA . 26867 1 664 . 1 1 68 68 LEU CB C 13 41.849 0.079 . 1 . . 602 . . 68 LEU CB . 26867 1 665 . 1 1 68 68 LEU CD1 C 13 25.850 0.039 . 2 . . 603 . . 68 LEU CD1 . 26867 1 666 . 1 1 68 68 LEU CD2 C 13 24.817 0.036 . 2 . . 604 . . 68 LEU CD2 . 26867 1 667 . 1 1 68 68 LEU CG C 13 27.645 0.082 . 1 . . 605 . . 68 LEU CG . 26867 1 668 . 1 1 68 68 LEU H H 1 7.837 0.01 . 1 . . 606 . . 68 LEU H . 26867 1 669 . 1 1 68 68 LEU HA H 1 3.864 0.008 . 1 . . 607 . . 68 LEU HA . 26867 1 670 . 1 1 68 68 LEU HB2 H 1 1.772 0.002 . 2 . . 608 . . 68 LEU HB2 . 26867 1 671 . 1 1 68 68 LEU HB3 H 1 1.297 . . 2 . . 609 . . 68 LEU HB3 . 26867 1 672 . 1 1 68 68 LEU HD11 H 1 0.569 0.004 . 2 . . 610 . . 68 LEU HD11 . 26867 1 673 . 1 1 68 68 LEU HD12 H 1 0.569 0.004 . 2 . . 610 . . 68 LEU HD12 . 26867 1 674 . 1 1 68 68 LEU HD13 H 1 0.569 0.004 . 2 . . 610 . . 68 LEU HD13 . 26867 1 675 . 1 1 68 68 LEU HD21 H 1 0.760 0.005 . 2 . . 611 . . 68 LEU HD21 . 26867 1 676 . 1 1 68 68 LEU HD22 H 1 0.760 0.005 . 2 . . 611 . . 68 LEU HD22 . 26867 1 677 . 1 1 68 68 LEU HD23 H 1 0.760 0.005 . 2 . . 611 . . 68 LEU HD23 . 26867 1 678 . 1 1 68 68 LEU HG H 1 1.609 0.003 . 1 . . 612 . . 68 LEU HG . 26867 1 679 . 1 1 68 68 LEU N N 15 120.781 0.038 . 1 . . 613 . . 68 LEU N . 26867 1 680 . 1 1 69 69 ALA C C 13 177.256 . . 1 . . 614 . . 69 ALA C . 26867 1 681 . 1 1 69 69 ALA CA C 13 55.428 0.102 . 1 . . 615 . . 69 ALA CA . 26867 1 682 . 1 1 69 69 ALA CB C 13 18.107 0.03 . 1 . . 616 . . 69 ALA CB . 26867 1 683 . 1 1 69 69 ALA H H 1 8.279 0.023 . 1 . . 617 . . 69 ALA H . 26867 1 684 . 1 1 69 69 ALA HA H 1 3.837 0.003 . 1 . . 618 . . 69 ALA HA . 26867 1 685 . 1 1 69 69 ALA HB3 H 1 1.351 0.011 . 1 . . 619 . . 69 ALA HB3 . 26867 1 686 . 1 1 69 69 ALA HB2 H 1 1.351 0.011 . 1 . . 619 . . 69 ALA HB2 . 26867 1 687 . 1 1 69 69 ALA HB1 H 1 1.351 0.011 . 1 . . 619 . . 69 ALA HB1 . 26867 1 688 . 1 1 69 69 ALA N N 15 121.001 0.054 . 1 . . 620 . . 69 ALA N . 26867 1 689 . 1 1 70 70 GLU C C 13 175.878 . . 1 . . 621 . . 70 GLU C . 26867 1 690 . 1 1 70 70 GLU CA C 13 59.357 0.049 . 1 . . 622 . . 70 GLU CA . 26867 1 691 . 1 1 70 70 GLU CB C 13 29.784 0.064 . 1 . . 623 . . 70 GLU CB . 26867 1 692 . 1 1 70 70 GLU CG C 13 36.704 0.011 . 1 . . 624 . . 70 GLU CG . 26867 1 693 . 1 1 70 70 GLU H H 1 8.358 0.016 . 1 . . 625 . . 70 GLU H . 26867 1 694 . 1 1 70 70 GLU HA H 1 3.992 . . 1 . . 626 . . 70 GLU HA . 26867 1 695 . 1 1 70 70 GLU HB2 H 1 2.050 . . 2 . . 627 . . 70 GLU HB2 . 26867 1 696 . 1 1 70 70 GLU HB3 H 1 1.896 . . 2 . . 628 . . 70 GLU HB3 . 26867 1 697 . 1 1 70 70 GLU HG2 H 1 2.137 . . 2 . . 629 . . 70 GLU HG2 . 26867 1 698 . 1 1 70 70 GLU HG3 H 1 2.276 . . 2 . . 630 . . 70 GLU HG3 . 26867 1 699 . 1 1 70 70 GLU N N 15 117.537 0.062 . 1 . . 631 . . 70 GLU N . 26867 1 700 . 1 1 71 71 LYS C C 13 175.537 . . 1 . . 632 . . 71 LYS C . 26867 1 701 . 1 1 71 71 LYS CA C 13 58.103 0.056 . 1 . . 633 . . 71 LYS CA . 26867 1 702 . 1 1 71 71 LYS CB C 13 31.840 0.008 . 1 . . 634 . . 71 LYS CB . 26867 1 703 . 1 1 71 71 LYS CE C 13 42.195 0.001 . 1 . . 635 . . 71 LYS CE . 26867 1 704 . 1 1 71 71 LYS CG C 13 24.583 0.003 . 1 . . 636 . . 71 LYS CG . 26867 1 705 . 1 1 71 71 LYS H H 1 7.844 0.009 . 1 . . 637 . . 71 LYS H . 26867 1 706 . 1 1 71 71 LYS HA H 1 4.158 . . 1 . . 638 . . 71 LYS HA . 26867 1 707 . 1 1 71 71 LYS HB2 H 1 1.998 . . 1 . . 639 . . 71 LYS HB2 . 26867 1 708 . 1 1 71 71 LYS HE2 H 1 2.967 . . 1 . . 640 . . 71 LYS HE2 . 26867 1 709 . 1 1 71 71 LYS HG2 H 1 1.453 . . 1 . . 641 . . 71 LYS HG2 . 26867 1 710 . 1 1 71 71 LYS N N 15 120.094 0.133 . 1 . . 642 . . 71 LYS N . 26867 1 711 . 1 1 72 72 ILE C C 13 174.447 . . 1 . . 643 . . 72 ILE C . 26867 1 712 . 1 1 72 72 ILE CA C 13 65.840 0.022 . 1 . . 644 . . 72 ILE CA . 26867 1 713 . 1 1 72 72 ILE CB C 13 37.823 0.064 . 1 . . 645 . . 72 ILE CB . 26867 1 714 . 1 1 72 72 ILE CD1 C 13 13.580 0.119 . 1 . . 646 . . 72 ILE CD1 . 26867 1 715 . 1 1 72 72 ILE CG1 C 13 30.826 0.019 . 1 . . 647 . . 72 ILE CG1 . 26867 1 716 . 1 1 72 72 ILE CG2 C 13 17.398 0.024 . 1 . . 648 . . 72 ILE CG2 . 26867 1 717 . 1 1 72 72 ILE H H 1 8.278 0.005 . 1 . . 649 . . 72 ILE H . 26867 1 718 . 1 1 72 72 ILE HA H 1 3.489 0.002 . 1 . . 650 . . 72 ILE HA . 26867 1 719 . 1 1 72 72 ILE HB H 1 1.872 0.01 . 1 . . 651 . . 72 ILE HB . 26867 1 720 . 1 1 72 72 ILE HD11 H 1 0.723 0.004 . 1 . . 652 . . 72 ILE HD11 . 26867 1 721 . 1 1 72 72 ILE HD12 H 1 0.723 0.004 . 1 . . 652 . . 72 ILE HD12 . 26867 1 722 . 1 1 72 72 ILE HD13 H 1 0.723 0.004 . 1 . . 652 . . 72 ILE HD13 . 26867 1 723 . 1 1 72 72 ILE HG12 H 1 1.792 0.002 . 2 . . 653 . . 72 ILE HG12 . 26867 1 724 . 1 1 72 72 ILE HG13 H 1 0.902 0.002 . 2 . . 654 . . 72 ILE HG13 . 26867 1 725 . 1 1 72 72 ILE HG22 H 1 0.834 0.001 . 1 . . 655 . . 72 ILE HG22 . 26867 1 726 . 1 1 72 72 ILE HG23 H 1 0.834 0.001 . 1 . . 655 . . 72 ILE HG23 . 26867 1 727 . 1 1 72 72 ILE HG21 H 1 0.834 0.001 . 1 . . 655 . . 72 ILE HG21 . 26867 1 728 . 1 1 72 72 ILE N N 15 118.949 0.039 . 1 . . 656 . . 72 ILE N . 26867 1 729 . 1 1 73 73 TYR C C 13 174.990 . . 1 . . 657 . . 73 TYR C . 26867 1 730 . 1 1 73 73 TYR CA C 13 61.003 0.004 . 1 . . 658 . . 73 TYR CA . 26867 1 731 . 1 1 73 73 TYR CB C 13 38.200 0.055 . 1 . . 659 . . 73 TYR CB . 26867 1 732 . 1 1 73 73 TYR H H 1 8.128 0.017 . 1 . . 660 . . 73 TYR H . 26867 1 733 . 1 1 73 73 TYR HA H 1 4.282 . . 1 . . 661 . . 73 TYR HA . 26867 1 734 . 1 1 73 73 TYR HB2 H 1 3.153 . . 1 . . 662 . . 73 TYR HB2 . 26867 1 735 . 1 1 73 73 TYR N N 15 119.386 0.011 . 1 . . 663 . . 73 TYR N . 26867 1 736 . 1 1 74 74 LYS C C 13 176.887 . . 1 . . 664 . . 74 LYS C . 26867 1 737 . 1 1 74 74 LYS CA C 13 59.871 0.018 . 1 . . 665 . . 74 LYS CA . 26867 1 738 . 1 1 74 74 LYS CB C 13 32.805 . . 1 . . 666 . . 74 LYS CB . 26867 1 739 . 1 1 74 74 LYS CD C 13 29.669 . . 1 . . 667 . . 74 LYS CD . 26867 1 740 . 1 1 74 74 LYS CE C 13 42.123 0.104 . 1 . . 668 . . 74 LYS CE . 26867 1 741 . 1 1 74 74 LYS CG C 13 25.761 . . 1 . . 669 . . 74 LYS CG . 26867 1 742 . 1 1 74 74 LYS H H 1 8.228 0.005 . 1 . . 670 . . 74 LYS H . 26867 1 743 . 1 1 74 74 LYS HE2 H 1 2.995 0.012 . 1 . . 671 . . 74 LYS HE2 . 26867 1 744 . 1 1 74 74 LYS N N 15 118.962 0.05 . 1 . . 672 . . 74 LYS N . 26867 1 745 . 1 1 75 75 ILE C C 13 174.947 . . 1 . . 673 . . 75 ILE C . 26867 1 746 . 1 1 75 75 ILE CA C 13 65.434 0.03 . 1 . . 674 . . 75 ILE CA . 26867 1 747 . 1 1 75 75 ILE CB C 13 38.268 0.028 . 1 . . 675 . . 75 ILE CB . 26867 1 748 . 1 1 75 75 ILE CD1 C 13 14.202 . . 1 . . 676 . . 75 ILE CD1 . 26867 1 749 . 1 1 75 75 ILE CG1 C 13 29.136 0.025 . 1 . . 677 . . 75 ILE CG1 . 26867 1 750 . 1 1 75 75 ILE CG2 C 13 17.778 0.136 . 1 . . 678 . . 75 ILE CG2 . 26867 1 751 . 1 1 75 75 ILE H H 1 8.401 0.015 . 1 . . 679 . . 75 ILE H . 26867 1 752 . 1 1 75 75 ILE HA H 1 3.688 0.004 . 1 . . 680 . . 75 ILE HA . 26867 1 753 . 1 1 75 75 ILE HB H 1 1.930 0.004 . 1 . . 681 . . 75 ILE HB . 26867 1 754 . 1 1 75 75 ILE HD11 H 1 0.859 0.016 . 1 . . 682 . . 75 ILE HD11 . 26867 1 755 . 1 1 75 75 ILE HD12 H 1 0.859 0.016 . 1 . . 682 . . 75 ILE HD12 . 26867 1 756 . 1 1 75 75 ILE HD13 H 1 0.859 0.016 . 1 . . 682 . . 75 ILE HD13 . 26867 1 757 . 1 1 75 75 ILE HG12 H 1 1.844 . . 2 . . 683 . . 75 ILE HG12 . 26867 1 758 . 1 1 75 75 ILE HG13 H 1 1.005 0.002 . 2 . . 684 . . 75 ILE HG13 . 26867 1 759 . 1 1 75 75 ILE HG22 H 1 0.844 0.001 . 1 . . 685 . . 75 ILE HG22 . 26867 1 760 . 1 1 75 75 ILE HG23 H 1 0.844 0.001 . 1 . . 685 . . 75 ILE HG23 . 26867 1 761 . 1 1 75 75 ILE HG21 H 1 0.844 0.001 . 1 . . 685 . . 75 ILE HG21 . 26867 1 762 . 1 1 75 75 ILE N N 15 120.602 0.041 . 1 . . 686 . . 75 ILE N . 26867 1 763 . 1 1 76 76 GLN C C 13 176.673 . . 1 . . 687 . . 76 GLN C . 26867 1 764 . 1 1 76 76 GLN CA C 13 59.658 0.061 . 1 . . 688 . . 76 GLN CA . 26867 1 765 . 1 1 76 76 GLN CB C 13 28.533 0.027 . 1 . . 689 . . 76 GLN CB . 26867 1 766 . 1 1 76 76 GLN CD C 13 176.911 0.008 . 1 . . 690 . . 76 GLN CD . 26867 1 767 . 1 1 76 76 GLN CG C 13 34.511 0.003 . 1 . . 691 . . 76 GLN CG . 26867 1 768 . 1 1 76 76 GLN H H 1 8.343 0.007 . 1 . . 692 . . 76 GLN H . 26867 1 769 . 1 1 76 76 GLN HA H 1 3.953 . . 1 . . 693 . . 76 GLN HA . 26867 1 770 . 1 1 76 76 GLN HB2 H 1 2.023 . . 1 . . 694 . . 76 GLN HB2 . 26867 1 771 . 1 1 76 76 GLN HE21 H 1 6.680 0.008 . 1 . . 695 . . 76 GLN HE21 . 26867 1 772 . 1 1 76 76 GLN HE22 H 1 7.300 0.009 . 1 . . 696 . . 76 GLN HE22 . 26867 1 773 . 1 1 76 76 GLN HG2 H 1 2.646 0.005 . 2 . . 697 . . 76 GLN HG2 . 26867 1 774 . 1 1 76 76 GLN HG3 H 1 2.346 0.001 . 2 . . 698 . . 76 GLN HG3 . 26867 1 775 . 1 1 76 76 GLN N N 15 118.178 0.059 . 1 . . 699 . . 76 GLN N . 26867 1 776 . 1 1 76 76 GLN NE2 N 15 110.428 0.006 . 1 . . 700 . . 76 GLN NE2 . 26867 1 777 . 1 1 77 77 LYS C C 13 176.419 . . 1 . . 701 . . 77 LYS C . 26867 1 778 . 1 1 77 77 LYS CA C 13 58.566 0.07 . 1 . . 702 . . 77 LYS CA . 26867 1 779 . 1 1 77 77 LYS CB C 13 31.893 0.023 . 1 . . 703 . . 77 LYS CB . 26867 1 780 . 1 1 77 77 LYS CD C 13 28.445 0.122 . 1 . . 704 . . 77 LYS CD . 26867 1 781 . 1 1 77 77 LYS CE C 13 41.766 0.011 . 1 . . 705 . . 77 LYS CE . 26867 1 782 . 1 1 77 77 LYS CG C 13 24.217 0.068 . 1 . . 706 . . 77 LYS CG . 26867 1 783 . 1 1 77 77 LYS H H 1 8.159 0.006 . 1 . . 707 . . 77 LYS H . 26867 1 784 . 1 1 77 77 LYS HA H 1 3.982 0.001 . 1 . . 708 . . 77 LYS HA . 26867 1 785 . 1 1 77 77 LYS HB2 H 1 1.745 0.002 . 1 . . 709 . . 77 LYS HB2 . 26867 1 786 . 1 1 77 77 LYS HD2 H 1 1.564 0.004 . 1 . . 710 . . 77 LYS HD2 . 26867 1 787 . 1 1 77 77 LYS HE2 H 1 2.921 0.001 . 2 . . 711 . . 77 LYS HE2 . 26867 1 788 . 1 1 77 77 LYS HE3 H 1 2.827 0.001 . 2 . . 712 . . 77 LYS HE3 . 26867 1 789 . 1 1 77 77 LYS HG2 H 1 1.273 0.004 . 1 . . 713 . . 77 LYS HG2 . 26867 1 790 . 1 1 77 77 LYS N N 15 119.377 0.056 . 1 . . 714 . . 77 LYS N . 26867 1 791 . 1 1 78 78 GLU C C 13 176.831 . . 1 . . 715 . . 78 GLU C . 26867 1 792 . 1 1 78 78 GLU CA C 13 59.240 0.046 . 1 . . 716 . . 78 GLU CA . 26867 1 793 . 1 1 78 78 GLU CB C 13 29.475 0.076 . 1 . . 717 . . 78 GLU CB . 26867 1 794 . 1 1 78 78 GLU CG C 13 36.422 . . 1 . . 718 . . 78 GLU CG . 26867 1 795 . 1 1 78 78 GLU H H 1 8.156 0.005 . 1 . . 719 . . 78 GLU H . 26867 1 796 . 1 1 78 78 GLU N N 15 120.567 0.042 . 1 . . 720 . . 78 GLU N . 26867 1 797 . 1 1 79 79 LEU C C 13 176.753 . . 1 . . 721 . . 79 LEU C . 26867 1 798 . 1 1 79 79 LEU CA C 13 57.704 0.054 . 1 . . 722 . . 79 LEU CA . 26867 1 799 . 1 1 79 79 LEU CB C 13 41.452 0.019 . 1 . . 723 . . 79 LEU CB . 26867 1 800 . 1 1 79 79 LEU CD1 C 13 23.396 0.069 . 2 . . 724 . . 79 LEU CD1 . 26867 1 801 . 1 1 79 79 LEU CD2 C 13 26.380 0.065 . 2 . . 725 . . 79 LEU CD2 . 26867 1 802 . 1 1 79 79 LEU CG C 13 27.264 . . 1 . . 726 . . 79 LEU CG . 26867 1 803 . 1 1 79 79 LEU H H 1 8.351 0.008 . 1 . . 727 . . 79 LEU H . 26867 1 804 . 1 1 79 79 LEU HD11 H 1 0.887 0.003 . 2 . . 728 . . 79 LEU HD11 . 26867 1 805 . 1 1 79 79 LEU HD12 H 1 0.887 0.003 . 2 . . 728 . . 79 LEU HD12 . 26867 1 806 . 1 1 79 79 LEU HD13 H 1 0.887 0.003 . 2 . . 728 . . 79 LEU HD13 . 26867 1 807 . 1 1 79 79 LEU HD21 H 1 0.981 0.003 . 2 . . 729 . . 79 LEU HD21 . 26867 1 808 . 1 1 79 79 LEU HD22 H 1 0.981 0.003 . 2 . . 729 . . 79 LEU HD22 . 26867 1 809 . 1 1 79 79 LEU HD23 H 1 0.981 0.003 . 2 . . 729 . . 79 LEU HD23 . 26867 1 810 . 1 1 79 79 LEU N N 15 119.450 0.051 . 1 . . 730 . . 79 LEU N . 26867 1 811 . 1 1 80 80 GLU C C 13 176.340 . . 1 . . 731 . . 80 GLU C . 26867 1 812 . 1 1 80 80 GLU CA C 13 59.156 0.017 . 1 . . 732 . . 80 GLU CA . 26867 1 813 . 1 1 80 80 GLU CB C 13 29.407 0.052 . 1 . . 733 . . 80 GLU CB . 26867 1 814 . 1 1 80 80 GLU CG C 13 36.227 0.004 . 1 . . 734 . . 80 GLU CG . 26867 1 815 . 1 1 80 80 GLU H H 1 8.010 0.005 . 1 . . 735 . . 80 GLU H . 26867 1 816 . 1 1 80 80 GLU HA H 1 4.072 0.001 . 1 . . 736 . . 80 GLU HA . 26867 1 817 . 1 1 80 80 GLU HB2 H 1 2.107 0.001 . 2 . . 737 . . 80 GLU HB2 . 26867 1 818 . 1 1 80 80 GLU HB3 H 1 2.183 0.002 . 2 . . 738 . . 80 GLU HB3 . 26867 1 819 . 1 1 80 80 GLU HG2 H 1 2.311 0.004 . 1 . . 739 . . 80 GLU HG2 . 26867 1 820 . 1 1 80 80 GLU N N 15 120.156 0.03 . 1 . . 740 . . 80 GLU N . 26867 1 821 . 1 1 81 81 GLU CA C 13 58.483 . . 1 . . 741 . . 81 GLU CA . 26867 1 822 . 1 1 81 81 GLU CB C 13 32.395 . . 1 . . 742 . . 81 GLU CB . 26867 1 823 . 1 1 81 81 GLU CG C 13 36.218 0.024 . 1 . . 743 . . 81 GLU CG . 26867 1 824 . 1 1 81 81 GLU H H 1 8.000 0.006 . 1 . . 744 . . 81 GLU H . 26867 1 825 . 1 1 81 81 GLU HG2 H 1 2.406 0.004 . 2 . . 745 . . 81 GLU HG2 . 26867 1 826 . 1 1 81 81 GLU HG3 H 1 2.289 0.002 . 2 . . 746 . . 81 GLU HG3 . 26867 1 827 . 1 1 81 81 GLU N N 15 119.137 0.008 . 1 . . 747 . . 81 GLU N . 26867 1 828 . 1 1 82 82 LYS C C 13 176.072 . . 1 . . 748 . . 82 LYS C . 26867 1 829 . 1 1 82 82 LYS CA C 13 58.271 0.041 . 1 . . 749 . . 82 LYS CA . 26867 1 830 . 1 1 82 82 LYS CB C 13 32.400 0.019 . 1 . . 750 . . 82 LYS CB . 26867 1 831 . 1 1 82 82 LYS CD C 13 29.038 0.018 . 1 . . 751 . . 82 LYS CD . 26867 1 832 . 1 1 82 82 LYS CE C 13 42.256 0.001 . 1 . . 752 . . 82 LYS CE . 26867 1 833 . 1 1 82 82 LYS CG C 13 25.241 0.002 . 1 . . 753 . . 82 LYS CG . 26867 1 834 . 1 1 82 82 LYS HA H 1 4.126 0.005 . 1 . . 754 . . 82 LYS HA . 26867 1 835 . 1 1 82 82 LYS HB2 H 1 1.942 . . 1 . . 755 . . 82 LYS HB2 . 26867 1 836 . 1 1 82 82 LYS HD2 H 1 1.663 0.001 . 1 . . 756 . . 82 LYS HD2 . 26867 1 837 . 1 1 82 82 LYS HE2 H 1 2.976 . . 1 . . 757 . . 82 LYS HE2 . 26867 1 838 . 1 1 82 82 LYS HG2 H 1 1.529 0.001 . 1 . . 758 . . 82 LYS HG2 . 26867 1 839 . 1 1 83 83 ARG C C 13 175.165 . . 1 . . 759 . . 83 ARG C . 26867 1 840 . 1 1 83 83 ARG CA C 13 58.269 0.004 . 1 . . 760 . . 83 ARG CA . 26867 1 841 . 1 1 83 83 ARG CB C 13 30.508 0.022 . 1 . . 761 . . 83 ARG CB . 26867 1 842 . 1 1 83 83 ARG CD C 13 43.593 . . 1 . . 762 . . 83 ARG CD . 26867 1 843 . 1 1 83 83 ARG CG C 13 27.830 . . 1 . . 763 . . 83 ARG CG . 26867 1 844 . 1 1 83 83 ARG H H 1 8.015 0.001 . 1 . . 764 . . 83 ARG H . 26867 1 845 . 1 1 83 83 ARG N N 15 119.088 0.019 . 1 . . 765 . . 83 ARG N . 26867 1 846 . 1 1 84 84 ARG C C 13 174.443 . . 1 . . 766 . . 84 ARG C . 26867 1 847 . 1 1 84 84 ARG CA C 13 57.418 0.293 . 1 . . 767 . . 84 ARG CA . 26867 1 848 . 1 1 84 84 ARG CB C 13 30.591 0.033 . 1 . . 768 . . 84 ARG CB . 26867 1 849 . 1 1 84 84 ARG CD C 13 43.438 0.107 . 1 . . 769 . . 84 ARG CD . 26867 1 850 . 1 1 84 84 ARG CG C 13 27.295 . . 1 . . 770 . . 84 ARG CG . 26867 1 851 . 1 1 84 84 ARG H H 1 7.937 0.004 . 1 . . 771 . . 84 ARG H . 26867 1 852 . 1 1 84 84 ARG HA H 1 4.210 0.021 . 1 . . 772 . . 84 ARG HA . 26867 1 853 . 1 1 84 84 ARG HB2 H 1 1.911 . . 1 . . 773 . . 84 ARG HB2 . 26867 1 854 . 1 1 84 84 ARG HD2 H 1 3.210 0.005 . 1 . . 774 . . 84 ARG HD2 . 26867 1 855 . 1 1 84 84 ARG HG2 H 1 1.699 . . 2 . . 775 . . 84 ARG HG2 . 26867 1 856 . 1 1 84 84 ARG HG3 H 1 1.767 . . 2 . . 776 . . 84 ARG HG3 . 26867 1 857 . 1 1 84 84 ARG N N 15 119.010 0.027 . 1 . . 777 . . 84 ARG N . 26867 1 858 . 1 1 85 85 SER C C 13 171.596 . . 1 . . 778 . . 85 SER C . 26867 1 859 . 1 1 85 85 SER CA C 13 59.083 0.02 . 1 . . 779 . . 85 SER CA . 26867 1 860 . 1 1 85 85 SER CB C 13 63.640 0.079 . 1 . . 780 . . 85 SER CB . 26867 1 861 . 1 1 85 85 SER H H 1 7.984 0.006 . 1 . . 781 . . 85 SER H . 26867 1 862 . 1 1 85 85 SER HA H 1 4.418 . . 1 . . 782 . . 85 SER HA . 26867 1 863 . 1 1 85 85 SER HB2 H 1 3.958 0.001 . 1 . . 783 . . 85 SER HB2 . 26867 1 864 . 1 1 85 85 SER HB3 H 1 3.958 0.001 . 1 . . 784 . . 85 SER HB3 . 26867 1 865 . 1 1 85 85 SER N N 15 115.074 0.032 . 1 . . 785 . . 85 SER N . 26867 1 866 . 1 1 86 86 ARG C C 13 172.527 . . 1 . . 786 . . 86 ARG C . 26867 1 867 . 1 1 86 86 ARG CA C 13 56.080 0.001 . 1 . . 787 . . 86 ARG CA . 26867 1 868 . 1 1 86 86 ARG CB C 13 30.730 0.009 . 1 . . 788 . . 86 ARG CB . 26867 1 869 . 1 1 86 86 ARG CD C 13 43.483 . . 1 . . 789 . . 86 ARG CD . 26867 1 870 . 1 1 86 86 ARG CG C 13 27.081 . . 1 . . 790 . . 86 ARG CG . 26867 1 871 . 1 1 86 86 ARG H H 1 7.913 0.007 . 1 . . 791 . . 86 ARG H . 26867 1 872 . 1 1 86 86 ARG HA H 1 4.401 . . 1 . . 792 . . 86 ARG HA . 26867 1 873 . 1 1 86 86 ARG HB2 H 1 1.798 . . 2 . . 793 . . 86 ARG HB2 . 26867 1 874 . 1 1 86 86 ARG HB3 H 1 1.963 . . 2 . . 794 . . 86 ARG HB3 . 26867 1 875 . 1 1 86 86 ARG HD2 H 1 3.202 . . 1 . . 795 . . 86 ARG HD2 . 26867 1 876 . 1 1 86 86 ARG HG2 H 1 1.679 0.001 . 1 . . 796 . . 86 ARG HG2 . 26867 1 877 . 1 1 86 86 ARG N N 15 122.243 0.013 . 1 . . 797 . . 86 ARG N . 26867 1 878 . 1 1 87 87 LEU CA C 13 56.693 . . 1 . . 798 . . 87 LEU CA . 26867 1 879 . 1 1 87 87 LEU CB C 13 43.344 0.003 . 1 . . 799 . . 87 LEU CB . 26867 1 880 . 1 1 87 87 LEU CD1 C 13 25.028 . . 1 . . 800 . . 87 LEU CD1 . 26867 1 881 . 1 1 87 87 LEU H H 1 7.706 0.004 . 1 . . 801 . . 87 LEU H . 26867 1 882 . 1 1 87 87 LEU HA H 1 4.183 . . 1 . . 802 . . 87 LEU HA . 26867 1 883 . 1 1 87 87 LEU HB2 H 1 1.584 . . 1 . . 803 . . 87 LEU HB2 . 26867 1 884 . 1 1 87 87 LEU HB3 H 1 1.584 . . 1 . . 804 . . 87 LEU HB3 . 26867 1 885 . 1 1 87 87 LEU HD12 H 1 0.914 . . 1 . . 805 . . 87 LEU HD12 . 26867 1 886 . 1 1 87 87 LEU HD11 H 1 0.914 . . 1 . . 805 . . 87 LEU HD11 . 26867 1 887 . 1 1 87 87 LEU HD13 H 1 0.914 . . 1 . . 805 . . 87 LEU HD13 . 26867 1 888 . 1 1 87 87 LEU N N 15 128.249 0.012 . 1 . . 806 . . 87 LEU N . 26867 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1_2 _Assigned_chem_shift_list.Entry_ID 26867 _Assigned_chem_shift_list.ID 2 _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/5g63/ebi/shifts_chainB.str.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 '1H-15N HSQC' . . . 26867 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CNS 1 $HADDOCK 26867 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 2 1 1 GLY HA2 H 1 3.879 0.000 . 1 . . . . . 519 GLY HA2 . 26867 2 2 . 2 2 1 1 GLY CA C 13 43.653 0.000 . 1 . . . . . 519 GLY CA . 26867 2 3 . 2 2 3 3 PRO HA H 1 4.420 0.000 . 1 . . . . . 521 PRO HA . 26867 2 4 . 2 2 3 3 PRO HB2 H 1 2.248 0.000 . 2 . . . . . 521 PRO HB2 . 26867 2 5 . 2 2 3 3 PRO HB3 H 1 1.873 0.000 . 2 . . . . . 521 PRO HB3 . 26867 2 6 . 2 2 3 3 PRO HG2 H 1 2.023 0.000 . 1 . . . . . 521 PRO HG2 . 26867 2 7 . 2 2 3 3 PRO HD2 H 1 3.841 0.000 . 2 . . . . . 521 PRO HD2 . 26867 2 8 . 2 2 3 3 PRO HD3 H 1 3.741 0.000 . 2 . . . . . 521 PRO HD3 . 26867 2 9 . 2 2 3 3 PRO C C 13 177.233 0.000 . 1 . . . . . 521 PRO C . 26867 2 10 . 2 2 3 3 PRO CA C 13 63.919 0.000 . 1 . . . . . 521 PRO CA . 26867 2 11 . 2 2 3 3 PRO CB C 13 32.259 0.003 . 1 . . . . . 521 PRO CB . 26867 2 12 . 2 2 3 3 PRO CG C 13 27.658 0.000 . 1 . . . . . 521 PRO CG . 26867 2 13 . 2 2 3 3 PRO CD C 13 51.023 0.004 . 1 . . . . . 521 PRO CD . 26867 2 14 . 2 2 4 4 GLY H H 1 8.335 0.000 . 1 . . . . . 522 GLY H . 26867 2 15 . 2 2 4 4 GLY HA2 H 1 3.838 0.000 . 1 . . . . . 522 GLY HA2 . 26867 2 16 . 2 2 4 4 GLY HA3 H 1 3.838 0.000 . 1 . . . . . 522 GLY HA3 . 26867 2 17 . 2 2 4 4 GLY C C 13 173.320 0.000 . 1 . . . . . 522 GLY C . 26867 2 18 . 2 2 4 4 GLY CA C 13 45.250 0.000 . 1 . . . . . 522 GLY CA . 26867 2 19 . 2 2 4 4 GLY N N 15 108.945 0.000 . 1 . . . . . 522 GLY N . 26867 2 20 . 2 2 5 5 TYR H H 1 7.976 0.000 . 1 . . . . . 523 TYR H . 26867 2 21 . 2 2 5 5 TYR HA H 1 4.817 0.000 . 1 . . . . . 523 TYR HA . 26867 2 22 . 2 2 5 5 TYR HB2 H 1 3.024 0.000 . 2 . . . . . 523 TYR HB2 . 26867 2 23 . 2 2 5 5 TYR HB3 H 1 2.828 0.000 . 2 . . . . . 523 TYR HB3 . 26867 2 24 . 2 2 5 5 TYR HD1 H 1 7.108 0.012 . 1 . . . . . 523 TYR HD1 . 26867 2 25 . 2 2 5 5 TYR HD2 H 1 7.108 0.012 . 1 . . . . . 523 TYR HD2 . 26867 2 26 . 2 2 5 5 TYR HE1 H 1 6.823 0.010 . 1 . . . . . 523 TYR HE1 . 26867 2 27 . 2 2 5 5 TYR HE2 H 1 6.823 0.010 . 1 . . . . . 523 TYR HE2 . 26867 2 28 . 2 2 5 5 TYR CA C 13 56.044 0.000 . 1 . . . . . 523 TYR CA . 26867 2 29 . 2 2 5 5 TYR CB C 13 38.620 0.000 . 1 . . . . . 523 TYR CB . 26867 2 30 . 2 2 5 5 TYR CD1 C 13 133.401 0.003 . 1 . . . . . 523 TYR CD1 . 26867 2 31 . 2 2 5 5 TYR CD2 C 13 133.401 0.003 . 1 . . . . . 523 TYR CD2 . 26867 2 32 . 2 2 5 5 TYR CE1 C 13 118.150 0.046 . 1 . . . . . 523 TYR CE1 . 26867 2 33 . 2 2 5 5 TYR CE2 C 13 118.150 0.046 . 1 . . . . . 523 TYR CE2 . 26867 2 34 . 2 2 5 5 TYR N N 15 120.471 0.000 . 1 . . . . . 523 TYR N . 26867 2 35 . 2 2 6 6 PRO HA H 1 4.427 0.000 . 1 . . . . . 524 PRO HA . 26867 2 36 . 2 2 6 6 PRO HB2 H 1 2.258 0.000 . 2 . . . . . 524 PRO HB2 . 26867 2 37 . 2 2 6 6 PRO HB3 H 1 1.928 0.000 . 2 . . . . . 524 PRO HB3 . 26867 2 38 . 2 2 6 6 PRO HG2 H 1 1.966 0.006 . 1 . . . . . 524 PRO HG2 . 26867 2 39 . 2 2 6 6 PRO HD2 H 1 3.495 0.002 . 2 . . . . . 524 PRO HD2 . 26867 2 40 . 2 2 6 6 PRO HD3 H 1 3.700 0.005 . 2 . . . . . 524 PRO HD3 . 26867 2 41 . 2 2 6 6 PRO C C 13 176.761 0.000 . 1 . . . . . 524 PRO C . 26867 2 42 . 2 2 6 6 PRO CA C 13 63.784 0.000 . 1 . . . . . 524 PRO CA . 26867 2 43 . 2 2 6 6 PRO CB C 13 32.165 0.004 . 1 . . . . . 524 PRO CB . 26867 2 44 . 2 2 6 6 PRO CG C 13 27.666 0.008 . 1 . . . . . 524 PRO CG . 26867 2 45 . 2 2 6 6 PRO CD C 13 50.855 0.035 . 1 . . . . . 524 PRO CD . 26867 2 46 . 2 2 7 7 ASN H H 1 8.435 0.000 . 1 . . . . . 525 ASN H . 26867 2 47 . 2 2 7 7 ASN HA H 1 4.690 0.000 . 1 . . . . . 525 ASN HA . 26867 2 48 . 2 2 7 7 ASN HB2 H 1 2.806 0.000 . 2 . . . . . 525 ASN HB2 . 26867 2 49 . 2 2 7 7 ASN HB3 H 1 2.867 0.000 . 2 . . . . . 525 ASN HB3 . 26867 2 50 . 2 2 7 7 ASN HD21 H 1 6.933 0.000 . 1 . . . . . 525 ASN HD21 . 26867 2 51 . 2 2 7 7 ASN HD22 H 1 7.623 0.000 . 1 . . . . . 525 ASN HD22 . 26867 2 52 . 2 2 7 7 ASN C C 13 175.853 0.000 . 1 . . . . . 525 ASN C . 26867 2 53 . 2 2 7 7 ASN CA C 13 53.743 0.000 . 1 . . . . . 525 ASN CA . 26867 2 54 . 2 2 7 7 ASN CB C 13 39.237 0.005 . 1 . . . . . 525 ASN CB . 26867 2 55 . 2 2 7 7 ASN N N 15 118.346 0.000 . 1 . . . . . 525 ASN N . 26867 2 56 . 2 2 7 7 ASN ND2 N 15 113.030 0.002 . 1 . . . . . 525 ASN ND2 . 26867 2 57 . 2 2 8 8 GLY H H 1 8.322 0.000 . 1 . . . . . 526 GLY H . 26867 2 58 . 2 2 8 8 GLY HA2 H 1 3.949 0.000 . 1 . . . . . 526 GLY HA2 . 26867 2 59 . 2 2 8 8 GLY HA3 H 1 3.949 0.000 . 1 . . . . . 526 GLY HA3 . 26867 2 60 . 2 2 8 8 GLY C C 13 174.113 0.000 . 1 . . . . . 526 GLY C . 26867 2 61 . 2 2 8 8 GLY CA C 13 45.822 0.000 . 1 . . . . . 526 GLY CA . 26867 2 62 . 2 2 8 8 GLY N N 15 108.894 0.000 . 1 . . . . . 526 GLY N . 26867 2 63 . 2 2 9 9 LEU H H 1 8.039 0.000 . 1 . . . . . 527 LEU H . 26867 2 64 . 2 2 9 9 LEU HA H 1 4.313 0.002 . 1 . . . . . 527 LEU HA . 26867 2 65 . 2 2 9 9 LEU HB2 H 1 1.578 0.001 . 2 . . . . . 527 LEU HB2 . 26867 2 66 . 2 2 9 9 LEU HB3 H 1 1.622 0.000 . 2 . . . . . 527 LEU HB3 . 26867 2 67 . 2 2 9 9 LEU HG H 1 1.571 0.002 . 1 . . . . . 527 LEU HG . 26867 2 68 . 2 2 9 9 LEU HD11 H 1 0.853 0.005 . 2 . . . . . 527 LEU HD11 . 26867 2 69 . 2 2 9 9 LEU HD12 H 1 0.853 0.005 . 2 . . . . . 527 LEU HD12 . 26867 2 70 . 2 2 9 9 LEU HD13 H 1 0.853 0.005 . 2 . . . . . 527 LEU HD13 . 26867 2 71 . 2 2 9 9 LEU HD21 H 1 0.808 0.000 . 2 . . . . . 527 LEU HD21 . 26867 2 72 . 2 2 9 9 LEU HD22 H 1 0.808 0.000 . 2 . . . . . 527 LEU HD22 . 26867 2 73 . 2 2 9 9 LEU HD23 H 1 0.808 0.000 . 2 . . . . . 527 LEU HD23 . 26867 2 74 . 2 2 9 9 LEU C C 13 177.315 0.000 . 1 . . . . . 527 LEU C . 26867 2 75 . 2 2 9 9 LEU CA C 13 55.718 0.029 . 1 . . . . . 527 LEU CA . 26867 2 76 . 2 2 9 9 LEU CB C 13 42.685 0.000 . 1 . . . . . 527 LEU CB . 26867 2 77 . 2 2 9 9 LEU CG C 13 27.340 0.028 . 1 . . . . . 527 LEU CG . 26867 2 78 . 2 2 9 9 LEU CD1 C 13 25.301 0.030 . 2 . . . . . 527 LEU CD1 . 26867 2 79 . 2 2 9 9 LEU CD2 C 13 24.131 0.000 . 2 . . . . . 527 LEU CD2 . 26867 2 80 . 2 2 9 9 LEU N N 15 121.363 0.000 . 1 . . . . . 527 LEU N . 26867 2 81 . 2 2 10 10 LEU H H 1 8.196 0.000 . 1 . . . . . 528 LEU H . 26867 2 82 . 2 2 10 10 LEU HA H 1 4.388 0.004 . 1 . . . . . 528 LEU HA . 26867 2 83 . 2 2 10 10 LEU HB2 H 1 1.657 0.000 . 2 . . . . . 528 LEU HB2 . 26867 2 84 . 2 2 10 10 LEU HB3 H 1 1.584 0.000 . 2 . . . . . 528 LEU HB3 . 26867 2 85 . 2 2 10 10 LEU HG H 1 1.551 0.000 . 1 . . . . . 528 LEU HG . 26867 2 86 . 2 2 10 10 LEU HD11 H 1 0.850 0.000 . 1 . . . . . 528 LEU HD11 . 26867 2 87 . 2 2 10 10 LEU HD12 H 1 0.850 0.000 . 1 . . . . . 528 LEU HD12 . 26867 2 88 . 2 2 10 10 LEU HD13 H 1 0.850 0.000 . 1 . . . . . 528 LEU HD13 . 26867 2 89 . 2 2 10 10 LEU C C 13 177.314 0.000 . 1 . . . . . 528 LEU C . 26867 2 90 . 2 2 10 10 LEU CA C 13 55.176 0.000 . 1 . . . . . 528 LEU CA . 26867 2 91 . 2 2 10 10 LEU CB C 13 42.404 0.000 . 1 . . . . . 528 LEU CB . 26867 2 92 . 2 2 10 10 LEU CG C 13 27.306 0.000 . 1 . . . . . 528 LEU CG . 26867 2 93 . 2 2 10 10 LEU N N 15 121.599 0.000 . 1 . . . . . 528 LEU N . 26867 2 94 . 2 2 11 11 SER H H 1 8.343 0.000 . 1 . . . . . 529 SER H . 26867 2 95 . 2 2 11 11 SER HA H 1 4.412 0.000 . 1 . . . . . 529 SER HA . 26867 2 96 . 2 2 11 11 SER HB2 H 1 3.839 0.000 . 2 . . . . . 529 SER HB2 . 26867 2 97 . 2 2 11 11 SER HB3 H 1 3.895 0.000 . 2 . . . . . 529 SER HB3 . 26867 2 98 . 2 2 11 11 SER C C 13 175.120 0.000 . 1 . . . . . 529 SER C . 26867 2 99 . 2 2 11 11 SER CA C 13 58.758 0.000 . 1 . . . . . 529 SER CA . 26867 2 100 . 2 2 11 11 SER CB C 13 64.253 0.000 . 1 . . . . . 529 SER CB . 26867 2 101 . 2 2 11 11 SER N N 15 116.238 0.000 . 1 . . . . . 529 SER N . 26867 2 102 . 2 2 12 12 GLY H H 1 8.483 0.000 . 1 . . . . . 530 GLY H . 26867 2 103 . 2 2 12 12 GLY HA2 H 1 4.002 0.000 . 1 . . . . . 530 GLY HA2 . 26867 2 104 . 2 2 12 12 GLY HA3 H 1 4.002 0.000 . 1 . . . . . 530 GLY HA3 . 26867 2 105 . 2 2 12 12 GLY C C 13 173.964 0.000 . 1 . . . . . 530 GLY C . 26867 2 106 . 2 2 12 12 GLY CA C 13 45.743 0.000 . 1 . . . . . 530 GLY CA . 26867 2 107 . 2 2 12 12 GLY N N 15 111.083 0.000 . 1 . . . . . 530 GLY N . 26867 2 108 . 2 2 13 13 ASP H H 1 8.204 0.000 . 1 . . . . . 531 ASP H . 26867 2 109 . 2 2 13 13 ASP HA H 1 4.597 0.000 . 1 . . . . . 531 ASP HA . 26867 2 110 . 2 2 13 13 ASP HB2 H 1 2.697 0.000 . 2 . . . . . 531 ASP HB2 . 26867 2 111 . 2 2 13 13 ASP HB3 H 1 2.614 0.000 . 2 . . . . . 531 ASP HB3 . 26867 2 112 . 2 2 13 13 ASP C C 13 176.425 0.000 . 1 . . . . . 531 ASP C . 26867 2 113 . 2 2 13 13 ASP CA C 13 54.776 0.000 . 1 . . . . . 531 ASP CA . 26867 2 114 . 2 2 13 13 ASP CB C 13 41.585 0.004 . 1 . . . . . 531 ASP CB . 26867 2 115 . 2 2 13 13 ASP N N 15 120.443 0.060 . 1 . . . . . 531 ASP N . 26867 2 116 . 2 2 14 14 GLU H H 1 8.409 0.000 . 1 . . . . . 532 GLU H . 26867 2 117 . 2 2 14 14 GLU HA H 1 4.161 0.001 . 1 . . . . . 532 GLU HA . 26867 2 118 . 2 2 14 14 GLU HB2 H 1 1.904 0.002 . 2 . . . . . 532 GLU HB2 . 26867 2 119 . 2 2 14 14 GLU HB3 H 1 1.867 0.003 . 2 . . . . . 532 GLU HB3 . 26867 2 120 . 2 2 14 14 GLU HG2 H 1 2.188 0.005 . 2 . . . . . 532 GLU HG2 . 26867 2 121 . 2 2 14 14 GLU HG3 H 1 2.197 0.000 . 2 . . . . . 532 GLU HG3 . 26867 2 122 . 2 2 14 14 GLU C C 13 176.059 0.000 . 1 . . . . . 532 GLU C . 26867 2 123 . 2 2 14 14 GLU CA C 13 57.222 0.026 . 1 . . . . . 532 GLU CA . 26867 2 124 . 2 2 14 14 GLU CB C 13 30.422 0.002 . 1 . . . . . 532 GLU CB . 26867 2 125 . 2 2 14 14 GLU CG C 13 36.587 0.000 . 1 . . . . . 532 GLU CG . 26867 2 126 . 2 2 14 14 GLU N N 15 120.801 0.000 . 1 . . . . . 532 GLU N . 26867 2 127 . 2 2 15 15 ASP H H 1 8.258 0.000 . 1 . . . . . 533 ASP H . 26867 2 128 . 2 2 15 15 ASP HA H 1 4.586 0.000 . 1 . . . . . 533 ASP HA . 26867 2 129 . 2 2 15 15 ASP HB2 H 1 2.702 0.000 . 2 . . . . . 533 ASP HB2 . 26867 2 130 . 2 2 15 15 ASP HB3 H 1 2.593 0.000 . 2 . . . . . 533 ASP HB3 . 26867 2 131 . 2 2 15 15 ASP C C 13 176.332 0.000 . 1 . . . . . 533 ASP C . 26867 2 132 . 2 2 15 15 ASP CA C 13 54.372 0.000 . 1 . . . . . 533 ASP CA . 26867 2 133 . 2 2 15 15 ASP CB C 13 41.489 0.005 . 1 . . . . . 533 ASP CB . 26867 2 134 . 2 2 15 15 ASP N N 15 120.720 0.000 . 1 . . . . . 533 ASP N . 26867 2 135 . 2 2 16 16 PHE H H 1 8.281 0.000 . 1 . . . . . 534 PHE H . 26867 2 136 . 2 2 16 16 PHE HA H 1 4.535 0.009 . 1 . . . . . 534 PHE HA . 26867 2 137 . 2 2 16 16 PHE HB2 H 1 3.185 0.006 . 2 . . . . . 534 PHE HB2 . 26867 2 138 . 2 2 16 16 PHE HB3 H 1 3.011 0.003 . 2 . . . . . 534 PHE HB3 . 26867 2 139 . 2 2 16 16 PHE HD1 H 1 7.194 0.010 . 1 . . . . . 534 PHE HD1 . 26867 2 140 . 2 2 16 16 PHE HD2 H 1 7.194 0.010 . 1 . . . . . 534 PHE HD2 . 26867 2 141 . 2 2 16 16 PHE C C 13 176.266 0.000 . 1 . . . . . 534 PHE C . 26867 2 142 . 2 2 16 16 PHE CA C 13 58.464 0.016 . 1 . . . . . 534 PHE CA . 26867 2 143 . 2 2 16 16 PHE CB C 13 39.342 0.033 . 1 . . . . . 534 PHE CB . 26867 2 144 . 2 2 16 16 PHE CD1 C 13 130.886 0.000 . 1 . . . . . 534 PHE CD1 . 26867 2 145 . 2 2 16 16 PHE CD2 C 13 130.886 0.000 . 1 . . . . . 534 PHE CD2 . 26867 2 146 . 2 2 16 16 PHE N N 15 121.431 0.000 . 1 . . . . . 534 PHE N . 26867 2 147 . 2 2 17 17 SER H H 1 8.317 0.000 . 1 . . . . . 535 SER H . 26867 2 148 . 2 2 17 17 SER HA H 1 4.315 0.005 . 1 . . . . . 535 SER HA . 26867 2 149 . 2 2 17 17 SER HB2 H 1 3.881 0.000 . 2 . . . . . 535 SER HB2 . 26867 2 150 . 2 2 17 17 SER HB3 H 1 3.913 0.000 . 2 . . . . . 535 SER HB3 . 26867 2 151 . 2 2 17 17 SER C C 13 174.988 0.000 . 1 . . . . . 535 SER C . 26867 2 152 . 2 2 17 17 SER CA C 13 59.902 0.028 . 1 . . . . . 535 SER CA . 26867 2 153 . 2 2 17 17 SER CB C 13 63.875 0.000 . 1 . . . . . 535 SER CB . 26867 2 154 . 2 2 17 17 SER N N 15 116.574 0.000 . 1 . . . . . 535 SER N . 26867 2 155 . 2 2 18 18 SER H H 1 8.194 0.000 . 1 . . . . . 536 SER H . 26867 2 156 . 2 2 18 18 SER HA H 1 4.467 0.000 . 1 . . . . . 536 SER HA . 26867 2 157 . 2 2 18 18 SER HB2 H 1 3.840 0.000 . 2 . . . . . 536 SER HB2 . 26867 2 158 . 2 2 18 18 SER HB3 H 1 3.886 0.000 . 2 . . . . . 536 SER HB3 . 26867 2 159 . 2 2 18 18 SER C C 13 175.068 0.000 . 1 . . . . . 536 SER C . 26867 2 160 . 2 2 18 18 SER CA C 13 59.094 0.000 . 1 . . . . . 536 SER CA . 26867 2 161 . 2 2 18 18 SER CB C 13 64.130 0.000 . 1 . . . . . 536 SER CB . 26867 2 162 . 2 2 18 18 SER N N 15 117.138 0.000 . 1 . . . . . 536 SER N . 26867 2 163 . 2 2 19 19 ILE H H 1 7.886 0.000 . 1 . . . . . 537 ILE H . 26867 2 164 . 2 2 19 19 ILE HA H 1 4.138 0.005 . 1 . . . . . 537 ILE HA . 26867 2 165 . 2 2 19 19 ILE HB H 1 1.897 0.005 . 1 . . . . . 537 ILE HB . 26867 2 166 . 2 2 19 19 ILE HG12 H 1 1.450 0.002 . 2 . . . . . 537 ILE HG12 . 26867 2 167 . 2 2 19 19 ILE HG13 H 1 1.162 0.002 . 2 . . . . . 537 ILE HG13 . 26867 2 168 . 2 2 19 19 ILE HG21 H 1 0.881 0.015 . 1 . . . . . 537 ILE HG21 . 26867 2 169 . 2 2 19 19 ILE HG22 H 1 0.881 0.015 . 1 . . . . . 537 ILE HG22 . 26867 2 170 . 2 2 19 19 ILE HG23 H 1 0.881 0.015 . 1 . . . . . 537 ILE HG23 . 26867 2 171 . 2 2 19 19 ILE HD11 H 1 0.811 0.002 . 1 . . . . . 537 ILE HD11 . 26867 2 172 . 2 2 19 19 ILE HD12 H 1 0.811 0.002 . 1 . . . . . 537 ILE HD12 . 26867 2 173 . 2 2 19 19 ILE HD13 H 1 0.811 0.002 . 1 . . . . . 537 ILE HD13 . 26867 2 174 . 2 2 19 19 ILE C C 13 176.300 0.000 . 1 . . . . . 537 ILE C . 26867 2 175 . 2 2 19 19 ILE CA C 13 61.967 0.041 . 1 . . . . . 537 ILE CA . 26867 2 176 . 2 2 19 19 ILE CB C 13 38.919 0.022 . 1 . . . . . 537 ILE CB . 26867 2 177 . 2 2 19 19 ILE CG1 C 13 27.869 0.001 . 1 . . . . . 537 ILE CG1 . 26867 2 178 . 2 2 19 19 ILE CG2 C 13 18.118 0.002 . 1 . . . . . 537 ILE CG2 . 26867 2 179 . 2 2 19 19 ILE CD1 C 13 13.837 0.049 . 1 . . . . . 537 ILE CD1 . 26867 2 180 . 2 2 19 19 ILE N N 15 121.266 0.000 . 1 . . . . . 537 ILE N . 26867 2 181 . 2 2 20 20 ALA H H 1 8.084 0.000 . 1 . . . . . 538 ALA H . 26867 2 182 . 2 2 20 20 ALA HA H 1 4.199 0.003 . 1 . . . . . 538 ALA HA . 26867 2 183 . 2 2 20 20 ALA HB1 H 1 1.356 0.008 . 1 . . . . . 538 ALA HB1 . 26867 2 184 . 2 2 20 20 ALA HB2 H 1 1.356 0.008 . 1 . . . . . 538 ALA HB2 . 26867 2 185 . 2 2 20 20 ALA HB3 H 1 1.356 0.008 . 1 . . . . . 538 ALA HB3 . 26867 2 186 . 2 2 20 20 ALA C C 13 177.676 0.000 . 1 . . . . . 538 ALA C . 26867 2 187 . 2 2 20 20 ALA CA C 13 53.505 0.033 . 1 . . . . . 538 ALA CA . 26867 2 188 . 2 2 20 20 ALA CB C 13 19.473 0.003 . 1 . . . . . 538 ALA CB . 26867 2 189 . 2 2 20 20 ALA N N 15 125.374 0.000 . 1 . . . . . 538 ALA N . 26867 2 190 . 2 2 21 21 ASP H H 1 8.025 0.000 . 1 . . . . . 539 ASP H . 26867 2 191 . 2 2 21 21 ASP HA H 1 4.627 0.000 . 1 . . . . . 539 ASP HA . 26867 2 192 . 2 2 21 21 ASP HB2 H 1 2.781 0.000 . 2 . . . . . 539 ASP HB2 . 26867 2 193 . 2 2 21 21 ASP HB3 H 1 2.617 0.000 . 2 . . . . . 539 ASP HB3 . 26867 2 194 . 2 2 21 21 ASP C C 13 176.344 0.000 . 1 . . . . . 539 ASP C . 26867 2 195 . 2 2 21 21 ASP CA C 13 54.633 0.000 . 1 . . . . . 539 ASP CA . 26867 2 196 . 2 2 21 21 ASP CB C 13 41.269 0.007 . 1 . . . . . 539 ASP CB . 26867 2 197 . 2 2 21 21 ASP N N 15 117.682 0.000 . 1 . . . . . 539 ASP N . 26867 2 198 . 2 2 22 22 MET H H 1 7.898 0.000 . 1 . . . . . 540 MET H . 26867 2 199 . 2 2 22 22 MET HA H 1 4.255 0.004 . 1 . . . . . 540 MET HA . 26867 2 200 . 2 2 22 22 MET HB2 H 1 1.872 0.002 . 2 . . . . . 540 MET HB2 . 26867 2 201 . 2 2 22 22 MET HB3 H 1 1.820 0.000 . 2 . . . . . 540 MET HB3 . 26867 2 202 . 2 2 22 22 MET HG2 H 1 2.326 0.005 . 1 . . . . . 540 MET HG2 . 26867 2 203 . 2 2 22 22 MET HE1 H 1 1.964 0.001 . 1 . . . . . 540 MET HE1 . 26867 2 204 . 2 2 22 22 MET HE2 H 1 1.964 0.001 . 1 . . . . . 540 MET HE2 . 26867 2 205 . 2 2 22 22 MET HE3 H 1 1.964 0.001 . 1 . . . . . 540 MET HE3 . 26867 2 206 . 2 2 22 22 MET C C 13 175.585 0.000 . 1 . . . . . 540 MET C . 26867 2 207 . 2 2 22 22 MET CA C 13 56.143 0.050 . 1 . . . . . 540 MET CA . 26867 2 208 . 2 2 22 22 MET CB C 13 33.357 0.008 . 1 . . . . . 540 MET CB . 26867 2 209 . 2 2 22 22 MET CG C 13 32.332 0.001 . 1 . . . . . 540 MET CG . 26867 2 210 . 2 2 22 22 MET CE C 13 17.487 0.031 . 1 . . . . . 540 MET CE . 26867 2 211 . 2 2 22 22 MET N N 15 120.057 0.000 . 1 . . . . . 540 MET N . 26867 2 212 . 2 2 23 23 ASP H H 1 8.217 0.000 . 1 . . . . . 541 ASP H . 26867 2 213 . 2 2 23 23 ASP HA H 1 4.640 0.000 . 1 . . . . . 541 ASP HA . 26867 2 214 . 2 2 23 23 ASP HB2 H 1 2.744 0.000 . 2 . . . . . 541 ASP HB2 . 26867 2 215 . 2 2 23 23 ASP HB3 H 1 2.603 0.000 . 2 . . . . . 541 ASP HB3 . 26867 2 216 . 2 2 23 23 ASP C C 13 176.890 0.000 . 1 . . . . . 541 ASP C . 26867 2 217 . 2 2 23 23 ASP CA C 13 54.128 0.000 . 1 . . . . . 541 ASP CA . 26867 2 218 . 2 2 23 23 ASP CB C 13 41.307 0.002 . 1 . . . . . 541 ASP CB . 26867 2 219 . 2 2 23 23 ASP N N 15 121.478 0.000 . 1 . . . . . 541 ASP N . 26867 2 220 . 2 2 24 24 PHE H H 1 8.393 0.000 . 1 . . . . . 542 PHE H . 26867 2 221 . 2 2 24 24 PHE HA H 1 4.324 0.002 . 1 . . . . . 542 PHE HA . 26867 2 222 . 2 2 24 24 PHE HB2 H 1 2.982 0.003 . 2 . . . . . 542 PHE HB2 . 26867 2 223 . 2 2 24 24 PHE HB3 H 1 2.881 0.000 . 2 . . . . . 542 PHE HB3 . 26867 2 224 . 2 2 24 24 PHE HD1 H 1 7.209 0.007 . 1 . . . . . 542 PHE HD1 . 26867 2 225 . 2 2 24 24 PHE HD2 H 1 7.209 0.007 . 1 . . . . . 542 PHE HD2 . 26867 2 226 . 2 2 24 24 PHE HE1 H 1 7.272 0.007 . 1 . . . . . 542 PHE HE1 . 26867 2 227 . 2 2 24 24 PHE HE2 H 1 7.272 0.007 . 1 . . . . . 542 PHE HE2 . 26867 2 228 . 2 2 24 24 PHE C C 13 176.787 0.000 . 1 . . . . . 542 PHE C . 26867 2 229 . 2 2 24 24 PHE CA C 13 60.148 0.133 . 1 . . . . . 542 PHE CA . 26867 2 230 . 2 2 24 24 PHE CB C 13 40.226 0.006 . 1 . . . . . 542 PHE CB . 26867 2 231 . 2 2 24 24 PHE CD1 C 13 131.829 0.000 . 1 . . . . . 542 PHE CD1 . 26867 2 232 . 2 2 24 24 PHE CD2 C 13 131.829 0.000 . 1 . . . . . 542 PHE CD2 . 26867 2 233 . 2 2 24 24 PHE CE1 C 13 129.729 0.000 . 1 . . . . . 542 PHE CE1 . 26867 2 234 . 2 2 24 24 PHE CE2 C 13 129.729 0.000 . 1 . . . . . 542 PHE CE2 . 26867 2 235 . 2 2 24 24 PHE N N 15 122.766 0.000 . 1 . . . . . 542 PHE N . 26867 2 236 . 2 2 25 25 SER H H 1 8.331 0.000 . 1 . . . . . 543 SER H . 26867 2 237 . 2 2 25 25 SER HA H 1 4.234 0.004 . 1 . . . . . 543 SER HA . 26867 2 238 . 2 2 25 25 SER HB2 H 1 3.913 0.000 . 1 . . . . . 543 SER HB2 . 26867 2 239 . 2 2 25 25 SER C C 13 176.263 0.000 . 1 . . . . . 543 SER C . 26867 2 240 . 2 2 25 25 SER CA C 13 61.418 0.000 . 1 . . . . . 543 SER CA . 26867 2 241 . 2 2 25 25 SER CB C 13 63.602 0.000 . 1 . . . . . 543 SER CB . 26867 2 242 . 2 2 25 25 SER N N 15 115.626 0.000 . 1 . . . . . 543 SER N . 26867 2 243 . 2 2 26 26 ALA H H 1 7.948 0.000 . 1 . . . . . 544 ALA H . 26867 2 244 . 2 2 26 26 ALA HA H 1 4.205 0.007 . 1 . . . . . 544 ALA HA . 26867 2 245 . 2 2 26 26 ALA HB1 H 1 1.420 0.004 . 1 . . . . . 544 ALA HB1 . 26867 2 246 . 2 2 26 26 ALA HB2 H 1 1.420 0.004 . 1 . . . . . 544 ALA HB2 . 26867 2 247 . 2 2 26 26 ALA HB3 H 1 1.420 0.004 . 1 . . . . . 544 ALA HB3 . 26867 2 248 . 2 2 26 26 ALA C C 13 179.443 0.000 . 1 . . . . . 544 ALA C . 26867 2 249 . 2 2 26 26 ALA CA C 13 54.128 0.072 . 1 . . . . . 544 ALA CA . 26867 2 250 . 2 2 26 26 ALA CB C 13 18.839 0.031 . 1 . . . . . 544 ALA CB . 26867 2 251 . 2 2 26 26 ALA N N 15 124.849 0.000 . 1 . . . . . 544 ALA N . 26867 2 252 . 2 2 27 27 LEU H H 1 7.711 0.000 . 1 . . . . . 545 LEU H . 26867 2 253 . 2 2 27 27 LEU HA H 1 4.114 0.000 . 1 . . . . . 545 LEU HA . 26867 2 254 . 2 2 27 27 LEU HB2 H 1 1.655 0.000 . 2 . . . . . 545 LEU HB2 . 26867 2 255 . 2 2 27 27 LEU HB3 H 1 1.589 0.008 . 2 . . . . . 545 LEU HB3 . 26867 2 256 . 2 2 27 27 LEU HG H 1 1.604 0.005 . 1 . . . . . 545 LEU HG . 26867 2 257 . 2 2 27 27 LEU HD11 H 1 0.857 0.008 . 2 . . . . . 545 LEU HD11 . 26867 2 258 . 2 2 27 27 LEU HD12 H 1 0.857 0.008 . 2 . . . . . 545 LEU HD12 . 26867 2 259 . 2 2 27 27 LEU HD13 H 1 0.857 0.008 . 2 . . . . . 545 LEU HD13 . 26867 2 260 . 2 2 27 27 LEU HD21 H 1 0.811 0.004 . 2 . . . . . 545 LEU HD21 . 26867 2 261 . 2 2 27 27 LEU HD22 H 1 0.811 0.004 . 2 . . . . . 545 LEU HD22 . 26867 2 262 . 2 2 27 27 LEU HD23 H 1 0.811 0.004 . 2 . . . . . 545 LEU HD23 . 26867 2 263 . 2 2 27 27 LEU C C 13 178.395 0.000 . 1 . . . . . 545 LEU C . 26867 2 264 . 2 2 27 27 LEU CA C 13 57.250 0.000 . 1 . . . . . 545 LEU CA . 26867 2 265 . 2 2 27 27 LEU CB C 13 42.304 0.003 . 1 . . . . . 545 LEU CB . 26867 2 266 . 2 2 27 27 LEU CG C 13 27.323 0.000 . 1 . . . . . 545 LEU CG . 26867 2 267 . 2 2 27 27 LEU CD1 C 13 25.299 0.000 . 2 . . . . . 545 LEU CD1 . 26867 2 268 . 2 2 27 27 LEU CD2 C 13 23.987 0.086 . 2 . . . . . 545 LEU CD2 . 26867 2 269 . 2 2 27 27 LEU N N 15 119.532 0.000 . 1 . . . . . 545 LEU N . 26867 2 270 . 2 2 28 28 LEU H H 1 7.938 0.000 . 1 . . . . . 546 LEU H . 26867 2 271 . 2 2 28 28 LEU HA H 1 4.069 0.000 . 1 . . . . . 546 LEU HA . 26867 2 272 . 2 2 28 28 LEU HB2 H 1 1.603 0.004 . 2 . . . . . 546 LEU HB2 . 26867 2 273 . 2 2 28 28 LEU HB3 H 1 1.520 0.007 . 2 . . . . . 546 LEU HB3 . 26867 2 274 . 2 2 28 28 LEU HG H 1 1.600 0.006 . 1 . . . . . 546 LEU HG . 26867 2 275 . 2 2 28 28 LEU HD11 H 1 0.825 0.008 . 2 . . . . . 546 LEU HD11 . 26867 2 276 . 2 2 28 28 LEU HD12 H 1 0.825 0.008 . 2 . . . . . 546 LEU HD12 . 26867 2 277 . 2 2 28 28 LEU HD13 H 1 0.825 0.008 . 2 . . . . . 546 LEU HD13 . 26867 2 278 . 2 2 28 28 LEU HD21 H 1 0.854 0.008 . 2 . . . . . 546 LEU HD21 . 26867 2 279 . 2 2 28 28 LEU HD22 H 1 0.854 0.008 . 2 . . . . . 546 LEU HD22 . 26867 2 280 . 2 2 28 28 LEU HD23 H 1 0.854 0.008 . 2 . . . . . 546 LEU HD23 . 26867 2 281 . 2 2 28 28 LEU C C 13 178.659 0.000 . 1 . . . . . 546 LEU C . 26867 2 282 . 2 2 28 28 LEU CA C 13 56.685 0.000 . 1 . . . . . 546 LEU CA . 26867 2 283 . 2 2 28 28 LEU CB C 13 41.843 0.005 . 1 . . . . . 546 LEU CB . 26867 2 284 . 2 2 28 28 LEU CG C 13 27.317 0.000 . 1 . . . . . 546 LEU CG . 26867 2 285 . 2 2 28 28 LEU CD1 C 13 23.686 0.000 . 2 . . . . . 546 LEU CD1 . 26867 2 286 . 2 2 28 28 LEU CD2 C 13 25.132 0.000 . 2 . . . . . 546 LEU CD2 . 26867 2 287 . 2 2 28 28 LEU N N 15 118.521 0.000 . 1 . . . . . 546 LEU N . 26867 2 288 . 2 2 29 29 SER H H 1 7.881 0.000 . 1 . . . . . 547 SER H . 26867 2 289 . 2 2 29 29 SER HA H 1 4.308 0.000 . 1 . . . . . 547 SER HA . 26867 2 290 . 2 2 29 29 SER HB2 H 1 3.931 0.008 . 2 . . . . . 547 SER HB2 . 26867 2 291 . 2 2 29 29 SER HB3 H 1 3.887 0.000 . 2 . . . . . 547 SER HB3 . 26867 2 292 . 2 2 29 29 SER C C 13 175.213 0.000 . 1 . . . . . 547 SER C . 26867 2 293 . 2 2 29 29 SER CA C 13 60.182 0.000 . 1 . . . . . 547 SER CA . 26867 2 294 . 2 2 29 29 SER CB C 13 63.574 0.001 . 1 . . . . . 547 SER CB . 26867 2 295 . 2 2 29 29 SER N N 15 114.369 0.000 . 1 . . . . . 547 SER N . 26867 2 296 . 2 2 30 30 GLN H H 1 7.946 0.000 . 1 . . . . . 548 GLN H . 26867 2 297 . 2 2 30 30 GLN HA H 1 4.302 0.000 . 1 . . . . . 548 GLN HA . 26867 2 298 . 2 2 30 30 GLN HB2 H 1 2.183 0.000 . 2 . . . . . 548 GLN HB2 . 26867 2 299 . 2 2 30 30 GLN HB3 H 1 2.094 0.000 . 2 . . . . . 548 GLN HB3 . 26867 2 300 . 2 2 30 30 GLN HG2 H 1 2.373 0.000 . 2 . . . . . 548 GLN HG2 . 26867 2 301 . 2 2 30 30 GLN HG3 H 1 2.416 0.000 . 2 . . . . . 548 GLN HG3 . 26867 2 302 . 2 2 30 30 GLN HE21 H 1 7.411 0.000 . 1 . . . . . 548 GLN HE21 . 26867 2 303 . 2 2 30 30 GLN HE22 H 1 6.791 0.000 . 1 . . . . . 548 GLN HE22 . 26867 2 304 . 2 2 30 30 GLN C C 13 176.688 0.000 . 1 . . . . . 548 GLN C . 26867 2 305 . 2 2 30 30 GLN CA C 13 56.875 0.000 . 1 . . . . . 548 GLN CA . 26867 2 306 . 2 2 30 30 GLN CB C 13 29.533 0.008 . 1 . . . . . 548 GLN CB . 26867 2 307 . 2 2 30 30 GLN CG C 13 34.185 0.012 . 1 . . . . . 548 GLN CG . 26867 2 308 . 2 2 30 30 GLN N N 15 120.439 0.000 . 1 . . . . . 548 GLN N . 26867 2 309 . 2 2 30 30 GLN NE2 N 15 111.720 0.002 . 1 . . . . . 548 GLN NE2 . 26867 2 310 . 2 2 31 31 ILE H H 1 7.817 0.000 . 1 . . . . . 549 ILE H . 26867 2 311 . 2 2 31 31 ILE HA H 1 4.207 0.004 . 1 . . . . . 549 ILE HA . 26867 2 312 . 2 2 31 31 ILE HB H 1 1.921 0.001 . 1 . . . . . 549 ILE HB . 26867 2 313 . 2 2 31 31 ILE HG12 H 1 1.469 0.002 . 2 . . . . . 549 ILE HG12 . 26867 2 314 . 2 2 31 31 ILE HG13 H 1 1.214 0.002 . 2 . . . . . 549 ILE HG13 . 26867 2 315 . 2 2 31 31 ILE HG21 H 1 0.894 0.001 . 1 . . . . . 549 ILE HG21 . 26867 2 316 . 2 2 31 31 ILE HG22 H 1 0.894 0.001 . 1 . . . . . 549 ILE HG22 . 26867 2 317 . 2 2 31 31 ILE HG23 H 1 0.894 0.001 . 1 . . . . . 549 ILE HG23 . 26867 2 318 . 2 2 31 31 ILE HD11 H 1 0.804 0.004 . 1 . . . . . 549 ILE HD11 . 26867 2 319 . 2 2 31 31 ILE HD12 H 1 0.804 0.004 . 1 . . . . . 549 ILE HD12 . 26867 2 320 . 2 2 31 31 ILE HD13 H 1 0.804 0.004 . 1 . . . . . 549 ILE HD13 . 26867 2 321 . 2 2 31 31 ILE C C 13 176.059 0.000 . 1 . . . . . 549 ILE C . 26867 2 322 . 2 2 31 31 ILE CA C 13 61.835 0.047 . 1 . . . . . 549 ILE CA . 26867 2 323 . 2 2 31 31 ILE CB C 13 38.919 0.090 . 1 . . . . . 549 ILE CB . 26867 2 324 . 2 2 31 31 ILE CG1 C 13 27.511 0.040 . 1 . . . . . 549 ILE CG1 . 26867 2 325 . 2 2 31 31 ILE CG2 C 13 18.029 0.002 . 1 . . . . . 549 ILE CG2 . 26867 2 326 . 2 2 31 31 ILE CD1 C 13 13.846 0.000 . 1 . . . . . 549 ILE CD1 . 26867 2 327 . 2 2 31 31 ILE N N 15 118.212 0.000 . 1 . . . . . 549 ILE N . 26867 2 328 . 2 2 32 32 SER H H 1 8.123 0.000 . 1 . . . . . 550 SER H . 26867 2 329 . 2 2 32 32 SER HA H 1 4.489 0.000 . 1 . . . . . 550 SER HA . 26867 2 330 . 2 2 32 32 SER HB2 H 1 3.896 0.000 . 1 . . . . . 550 SER HB2 . 26867 2 331 . 2 2 32 32 SER HB3 H 1 3.896 0.000 . 1 . . . . . 550 SER HB3 . 26867 2 332 . 2 2 32 32 SER C C 13 173.650 0.000 . 1 . . . . . 550 SER C . 26867 2 333 . 2 2 32 32 SER CA C 13 58.575 0.000 . 1 . . . . . 550 SER CA . 26867 2 334 . 2 2 32 32 SER CB C 13 64.291 0.000 . 1 . . . . . 550 SER CB . 26867 2 335 . 2 2 32 32 SER N N 15 118.674 0.000 . 1 . . . . . 550 SER N . 26867 2 336 . 2 2 33 33 SER H H 1 7.877 0.000 . 1 . . . . . 551 SER H . 26867 2 337 . 2 2 33 33 SER HA H 1 4.292 0.000 . 1 . . . . . 551 SER HA . 26867 2 338 . 2 2 33 33 SER HB2 H 1 3.873 0.007 . 2 . . . . . 551 SER HB2 . 26867 2 339 . 2 2 33 33 SER HB3 H 1 3.879 0.001 . 2 . . . . . 551 SER HB3 . 26867 2 340 . 2 2 33 33 SER CA C 13 60.274 0.110 . 1 . . . . . 551 SER CA . 26867 2 341 . 2 2 33 33 SER CB C 13 65.115 0.000 . 1 . . . . . 551 SER CB . 26867 2 342 . 2 2 33 33 SER N N 15 123.322 0.000 . 1 . . . . . 551 SER N . 26867 2 stop_ save_