data_26776 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26776 _Entry.Title ; 1H, 13C and 15N resonance assignments for the response regulator CheY3 from Rhodobacter spheroids at pH 7.25 with BeF3- ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-04-12 _Entry.Accession_date 2016-04-12 _Entry.Last_release_date 2016-09-02 _Entry.Original_release_date 2016-09-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Lorena Varela-Alvarez . . . . 26776 2 Christian Bell . . . . 26776 3 Judith Armitage . P. . . 26776 4 Christina Redfield . . . . 26776 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' . 26776 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Oxford' . 26776 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26776 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 509 26776 '15N chemical shifts' 117 26776 '1H chemical shifts' 806 26776 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 . . 2016-10-26 2016-04-12 update BMRB 'update entry citation' 26776 1 . . 2016-09-02 2016-04-12 original author 'original release' 26776 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26769 'response regulator CheY3 at pH 7.4 in the absence of BeF3-' 26776 BMRB 26777 'response regulator CheY3 at pH 4.5 with BeF3-' 26776 BMRB 26778 'response regulator CheY3 at pH 4.5 in the absence of BeF3-' 26776 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26776 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27468962 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N resonance assignments for the response regulator CheY3 from Rhodobacter sphaeroides ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 373 _Citation.Page_last 378 _Citation.Year 2016 _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 Lorena Varela-Alvarez . . . . 26776 1 2 Christian Bell . . . . 26776 1 3 Judith Armitage . P. . . 26776 1 4 Christina Redfield . . . . 26776 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CheY3 26776 1 'NMR resonance assignments' 26776 1 'Rhodobacter sphaeroides' 26776 1 chemotaxis 26776 1 'response regulator' 26776 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26776 _Assembly.ID 1 _Assembly.Name CheY3_BeF3_pH7.25 _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CheY3 1 $CheY3_BeF3_pH7-25 A . yes native yes no . . . 26776 1 2 Mg2+ 2 $entity_MG A . no na yes no . . . 26776 1 3 BeF3- 3 $entity_BEF A . no na yes no . . . 26776 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CheY3_BeF3_pH7-25 _Entity.Sf_category entity _Entity.Sf_framecode CheY3_BeF3_pH7-25 _Entity.Entry_ID 26776 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CheY3_BeF3_pH7.25 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MRGSHHHHHHGSSRTVLAVD DSPSVRSMVAMTLREAGYRV IEATDGREGLEKALSEPVDA IITDQNMPNLDGLGFIRAFR EHPESKGKPIIFLSTDSADT LKQQAREAGAMGWMVKPFTQ PQLLAVIKKVLG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The protein contains an N-terminal His6 tag preceded by MRGS. We are not providing assignments for the non-native tag residues. ; _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 132 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -10 MET . 26776 1 2 -9 ARG . 26776 1 3 -8 GLY . 26776 1 4 -7 SER . 26776 1 5 -6 HIS . 26776 1 6 -5 HIS . 26776 1 7 -4 HIS . 26776 1 8 -3 HIS . 26776 1 9 -2 HIS . 26776 1 10 -1 HIS . 26776 1 11 0 GLY . 26776 1 12 1 SER . 26776 1 13 2 SER . 26776 1 14 3 ARG . 26776 1 15 4 THR . 26776 1 16 5 VAL . 26776 1 17 6 LEU . 26776 1 18 7 ALA . 26776 1 19 8 VAL . 26776 1 20 9 ASP . 26776 1 21 10 ASP . 26776 1 22 11 SER . 26776 1 23 12 PRO . 26776 1 24 13 SER . 26776 1 25 14 VAL . 26776 1 26 15 ARG . 26776 1 27 16 SER . 26776 1 28 17 MET . 26776 1 29 18 VAL . 26776 1 30 19 ALA . 26776 1 31 20 MET . 26776 1 32 21 THR . 26776 1 33 22 LEU . 26776 1 34 23 ARG . 26776 1 35 24 GLU . 26776 1 36 25 ALA . 26776 1 37 26 GLY . 26776 1 38 27 TYR . 26776 1 39 28 ARG . 26776 1 40 29 VAL . 26776 1 41 30 ILE . 26776 1 42 31 GLU . 26776 1 43 32 ALA . 26776 1 44 33 THR . 26776 1 45 34 ASP . 26776 1 46 35 GLY . 26776 1 47 36 ARG . 26776 1 48 37 GLU . 26776 1 49 38 GLY . 26776 1 50 39 LEU . 26776 1 51 40 GLU . 26776 1 52 41 LYS . 26776 1 53 42 ALA . 26776 1 54 43 LEU . 26776 1 55 44 SER . 26776 1 56 45 GLU . 26776 1 57 46 PRO . 26776 1 58 47 VAL . 26776 1 59 48 ASP . 26776 1 60 49 ALA . 26776 1 61 50 ILE . 26776 1 62 51 ILE . 26776 1 63 52 THR . 26776 1 64 53 ASP . 26776 1 65 54 GLN . 26776 1 66 55 ASN . 26776 1 67 56 MET . 26776 1 68 57 PRO . 26776 1 69 58 ASN . 26776 1 70 59 LEU . 26776 1 71 60 ASP . 26776 1 72 61 GLY . 26776 1 73 62 LEU . 26776 1 74 63 GLY . 26776 1 75 64 PHE . 26776 1 76 65 ILE . 26776 1 77 66 ARG . 26776 1 78 67 ALA . 26776 1 79 68 PHE . 26776 1 80 69 ARG . 26776 1 81 70 GLU . 26776 1 82 71 HIS . 26776 1 83 72 PRO . 26776 1 84 73 GLU . 26776 1 85 74 SER . 26776 1 86 75 LYS . 26776 1 87 76 GLY . 26776 1 88 77 LYS . 26776 1 89 78 PRO . 26776 1 90 79 ILE . 26776 1 91 80 ILE . 26776 1 92 81 PHE . 26776 1 93 82 LEU . 26776 1 94 83 SER . 26776 1 95 84 THR . 26776 1 96 85 ASP . 26776 1 97 86 SER . 26776 1 98 87 ALA . 26776 1 99 88 ASP . 26776 1 100 89 THR . 26776 1 101 90 LEU . 26776 1 102 91 LYS . 26776 1 103 92 GLN . 26776 1 104 93 GLN . 26776 1 105 94 ALA . 26776 1 106 95 ARG . 26776 1 107 96 GLU . 26776 1 108 97 ALA . 26776 1 109 98 GLY . 26776 1 110 99 ALA . 26776 1 111 100 MET . 26776 1 112 101 GLY . 26776 1 113 102 TRP . 26776 1 114 103 MET . 26776 1 115 104 VAL . 26776 1 116 105 LYS . 26776 1 117 106 PRO . 26776 1 118 107 PHE . 26776 1 119 108 THR . 26776 1 120 109 GLN . 26776 1 121 110 PRO . 26776 1 122 111 GLN . 26776 1 123 112 LEU . 26776 1 124 113 LEU . 26776 1 125 114 ALA . 26776 1 126 115 VAL . 26776 1 127 116 ILE . 26776 1 128 117 LYS . 26776 1 129 118 LYS . 26776 1 130 119 VAL . 26776 1 131 120 LEU . 26776 1 132 121 GLY . 26776 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 26776 1 . ARG 2 2 26776 1 . GLY 3 3 26776 1 . SER 4 4 26776 1 . HIS 5 5 26776 1 . HIS 6 6 26776 1 . HIS 7 7 26776 1 . HIS 8 8 26776 1 . HIS 9 9 26776 1 . HIS 10 10 26776 1 . GLY 11 11 26776 1 . SER 12 12 26776 1 . SER 13 13 26776 1 . ARG 14 14 26776 1 . THR 15 15 26776 1 . VAL 16 16 26776 1 . LEU 17 17 26776 1 . ALA 18 18 26776 1 . VAL 19 19 26776 1 . ASP 20 20 26776 1 . ASP 21 21 26776 1 . SER 22 22 26776 1 . PRO 23 23 26776 1 . SER 24 24 26776 1 . VAL 25 25 26776 1 . ARG 26 26 26776 1 . SER 27 27 26776 1 . MET 28 28 26776 1 . VAL 29 29 26776 1 . ALA 30 30 26776 1 . MET 31 31 26776 1 . THR 32 32 26776 1 . LEU 33 33 26776 1 . ARG 34 34 26776 1 . GLU 35 35 26776 1 . ALA 36 36 26776 1 . GLY 37 37 26776 1 . TYR 38 38 26776 1 . ARG 39 39 26776 1 . VAL 40 40 26776 1 . ILE 41 41 26776 1 . GLU 42 42 26776 1 . ALA 43 43 26776 1 . THR 44 44 26776 1 . ASP 45 45 26776 1 . GLY 46 46 26776 1 . ARG 47 47 26776 1 . GLU 48 48 26776 1 . GLY 49 49 26776 1 . LEU 50 50 26776 1 . GLU 51 51 26776 1 . LYS 52 52 26776 1 . ALA 53 53 26776 1 . LEU 54 54 26776 1 . SER 55 55 26776 1 . GLU 56 56 26776 1 . PRO 57 57 26776 1 . VAL 58 58 26776 1 . ASP 59 59 26776 1 . ALA 60 60 26776 1 . ILE 61 61 26776 1 . ILE 62 62 26776 1 . THR 63 63 26776 1 . ASP 64 64 26776 1 . GLN 65 65 26776 1 . ASN 66 66 26776 1 . MET 67 67 26776 1 . PRO 68 68 26776 1 . ASN 69 69 26776 1 . LEU 70 70 26776 1 . ASP 71 71 26776 1 . GLY 72 72 26776 1 . LEU 73 73 26776 1 . GLY 74 74 26776 1 . PHE 75 75 26776 1 . ILE 76 76 26776 1 . ARG 77 77 26776 1 . ALA 78 78 26776 1 . PHE 79 79 26776 1 . ARG 80 80 26776 1 . GLU 81 81 26776 1 . HIS 82 82 26776 1 . PRO 83 83 26776 1 . GLU 84 84 26776 1 . SER 85 85 26776 1 . LYS 86 86 26776 1 . GLY 87 87 26776 1 . LYS 88 88 26776 1 . PRO 89 89 26776 1 . ILE 90 90 26776 1 . ILE 91 91 26776 1 . PHE 92 92 26776 1 . LEU 93 93 26776 1 . SER 94 94 26776 1 . THR 95 95 26776 1 . ASP 96 96 26776 1 . SER 97 97 26776 1 . ALA 98 98 26776 1 . ASP 99 99 26776 1 . THR 100 100 26776 1 . LEU 101 101 26776 1 . LYS 102 102 26776 1 . GLN 103 103 26776 1 . GLN 104 104 26776 1 . ALA 105 105 26776 1 . ARG 106 106 26776 1 . GLU 107 107 26776 1 . ALA 108 108 26776 1 . GLY 109 109 26776 1 . ALA 110 110 26776 1 . MET 111 111 26776 1 . GLY 112 112 26776 1 . TRP 113 113 26776 1 . MET 114 114 26776 1 . VAL 115 115 26776 1 . LYS 116 116 26776 1 . PRO 117 117 26776 1 . PHE 118 118 26776 1 . THR 119 119 26776 1 . GLN 120 120 26776 1 . PRO 121 121 26776 1 . GLN 122 122 26776 1 . LEU 123 123 26776 1 . LEU 124 124 26776 1 . ALA 125 125 26776 1 . VAL 126 126 26776 1 . ILE 127 127 26776 1 . LYS 128 128 26776 1 . LYS 129 129 26776 1 . VAL 130 130 26776 1 . LEU 131 131 26776 1 . GLY 132 132 26776 1 stop_ save_ save_entity_MG _Entity.Sf_category entity _Entity.Sf_framecode entity_MG _Entity.Entry_ID 26776 _Entity.ID 2 _Entity.BMRB_code MG _Entity.Name entity_MG _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID MG _Entity.Nonpolymer_comp_label $chem_comp_MG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24.305 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'MAGNESIUM ION' BMRB 26776 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'MAGNESIUM ION' BMRB 26776 2 MG 'Three letter code' 26776 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 1 MG $chem_comp_MG 26776 2 stop_ save_ save_entity_BEF _Entity.Sf_category entity _Entity.Sf_framecode entity_BEF _Entity.Entry_ID 26776 _Entity.ID 3 _Entity.BMRB_code BEF _Entity.Name entity_BEF _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID BEF _Entity.Nonpolymer_comp_label $chem_comp_BEF _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 66.007 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'BERYLLIUM TRIFLUORIDE ION' BMRB 26776 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'BERYLLIUM TRIFLUORIDE ION' BMRB 26776 3 BEF 'Three letter code' 26776 3 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 1 BEF $chem_comp_BEF 26776 3 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 26776 _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 $CheY3_BeF3_pH7-25 . 1063 organism . 'Rhodobacter sphaeroides' 'Rhodobacter sphaeroides' . . Bacteria . Rhodobacter sphaeroides . . . . . . . . . . . . . 26776 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 26776 _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 $CheY3_BeF3_pH7-25 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pQE-80 . . . 26776 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 26776 _Chem_comp.ID MG _Chem_comp.Provenance PDB _Chem_comp.Name 'MAGNESIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code MG _Chem_comp.PDB_code MG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MG _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Mg/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Mg _Chem_comp.Formula_weight 24.305 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Mg/q+2 InChI InChI 1.03 26776 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 26776 MG [Mg++] SMILES CACTVS 3.341 26776 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 26776 MG [Mg+2] SMILES ACDLabs 10.04 26776 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 26776 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 26776 MG stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID magnesium 'SYSTEMATIC NAME' ACDLabs 10.04 26776 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 26776 MG stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID MG MG MG MG . MG . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 26776 MG stop_ save_ save_chem_comp_BEF _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_BEF _Chem_comp.Entry_ID 26776 _Chem_comp.ID BEF _Chem_comp.Provenance PDB _Chem_comp.Name 'BERYLLIUM TRIFLUORIDE ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code BEF _Chem_comp.PDB_code BEF _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code BEF _Chem_comp.Number_atoms_all 4 _Chem_comp.Number_atoms_nh 4 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Be.3FH/h;3*1H/q+2;;;/p-3 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge -1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'Be F3' _Chem_comp.Formula_weight 66.007 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag yes _Chem_comp.Model_coordinates_db_code 1LVK _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID F[Be-](F)F SMILES ACDLabs 10.04 26776 BEF F[Be-](F)F SMILES CACTVS 3.341 26776 BEF F[Be-](F)F SMILES_CANONICAL CACTVS 3.341 26776 BEF InChI=1S/Be.3FH/h;3*1H/q+2;;;/p-3 InChI InChI 1.03 26776 BEF OGIAHMCCNXDTIE-UHFFFAOYSA-K InChIKey InChI 1.03 26776 BEF [Be-](F)(F)F SMILES 'OpenEye OEToolkits' 1.5.0 26776 BEF [Be-](F)(F)F SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 26776 BEF stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID trifluoroberyllate(1-) 'SYSTEMATIC NAME' ACDLabs 10.04 26776 BEF trifluoroberyllium 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 26776 BEF stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID BE BE BE BE . BE . . N -1 . . . 0 no no . . . . 32.595 . 58.188 . 22.992 . . . . 1 . 26776 BEF F1 F1 F1 F1 . F . . N 0 . . . 1 no no . . . . 31.324 . 57.364 . 23.232 . . . . 2 . 26776 BEF F2 F2 F2 F2 . F . . N 0 . . . 1 no no . . . . 33.110 . 58.885 . 24.291 . . . . 3 . 26776 BEF F3 F3 F3 F3 . F . . N 0 . . . 1 no no . . . . 32.321 . 59.297 . 21.951 . . . . 4 . 26776 BEF stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING BE F1 no N 1 . 26776 BEF 2 . SING BE F2 no N 2 . 26776 BEF 3 . SING BE F3 no N 3 . 26776 BEF stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1_15N _Sample.Sf_category sample _Sample.Sf_framecode sample_1_15N _Sample.Entry_ID 26776 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CheY3_BeF3_pH7.25 '[U-99% 15N]' . . 1 $CheY3_BeF3_pH7-25 . . 0.7 . . mM . . . . 26776 1 2 Mg2+ 'natural abundance' . . 2 $entity_MG . . 15 . . mM . . . . 26776 1 3 BeF3- 'natural abundance' . . 3 $entity_BEF . . 2 . . mM . . . . 26776 1 4 'Sodium Acetate' 'natural abundance' . . . . . . 7 . . mM . . . . 26776 1 stop_ save_ save_sample_2_15N_13C _Sample.Sf_category sample _Sample.Sf_framecode sample_2_15N_13C _Sample.Entry_ID 26776 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CheY3_BeF3_pH7.25 '[U-99% 13C; U-99% 15N]' . . 1 $CheY3_BeF3_pH7-25 . . 0.7 . . mM . . . . 26776 2 2 Mg2+ 'natural abundance' . . 2 $entity_MG . . 15 . . mM . . . . 26776 2 3 BeF3- 'natural abundance' . . 3 $entity_BEF . . 2 . . mM . . . . 26776 2 4 'Sodium Acetate' 'natural abundance' . . . . . . 7 . . mM . . . . 26776 2 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 26776 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.25 . pH 26776 1 pressure 1 . atm 26776 1 temperature 293 . K 26776 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26776 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26776 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26776 1 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 26776 _Software.ID 2 _Software.Name CcpNmr_Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 26776 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26776 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_500 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_500 _NMR_spectrometer.Entry_ID 26776 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_Omega_750 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Omega_750 _NMR_spectrometer.Entry_ID 26776 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'home-built console and room temperature probe with GE OMEGA software' _NMR_spectrometer.Manufacturer Home-built _NMR_spectrometer.Model OMEGA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_Omega_500 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Omega_500 _NMR_spectrometer.Entry_ID 26776 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'home-built console and room temperature probe with GE OMEGA software' _NMR_spectrometer.Manufacturer Home-built _NMR_spectrometer.Model OMEGA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 26776 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 Bruker_500 Bruker Avance . 500 'with cryoprobe' . . 26776 1 2 Omega_750 Home-built OMEGA . 750 'home-built console and room temperature probe with GE OMEGA software' . . 26776 1 3 Omega_500 Home-built OMEGA . 500 'home-built console and room temperature probe with GE OMEGA software' . . 26776 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 26776 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1_15N isotropic . . 1 $sample_conditions_1 . . . 3 $Omega_500 . . . . . . . . . . . . . . . . 26776 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1_15N isotropic . . 1 $sample_conditions_1 . . . 3 $Omega_500 . . . . . . . . . . . . . . . . 26776 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2_15N_13C isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_500 . . . . . . . . . . . . . . . . 26776 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2_15N_13C isotropic . . 1 $sample_conditions_1 . . . 3 $Omega_500 . . . . . . . . . . . . . . . . 26776 1 5 '3D CBCANH' no . . . . . . . . . . 2 $sample_2_15N_13C isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_500 . . . . . . . . . . . . . . . . 26776 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2_15N_13C isotropic . . 1 $sample_conditions_1 . . . 3 $Omega_500 . . . . . . . . . . . . . . . . 26776 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2_15N_13C isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_500 . . . . . . . . . . . . . . . . 26776 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2_15N_13C isotropic . . 1 $sample_conditions_1 . . . 2 $Omega_750 . . . . . . . . . . . . . . . . 26776 1 9 '3D HNCACO' no . . . . . . . . . . 2 $sample_2_15N_13C isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_500 . . . . . . . . . . . . . . . . 26776 1 10 '3D HNCO' no . . . . . . . . . . 2 $sample_2_15N_13C isotropic . . 1 $sample_conditions_1 . . . 3 $Omega_500 . . . . . . . . . . . . . . . . 26776 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2_15N_13C isotropic . . 1 $sample_conditions_1 . . . 3 $Omega_500 . . . . . . . . . . . . . . . . 26776 1 12 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2_15N_13C isotropic . . 1 $sample_conditions_1 . . . 2 $Omega_750 . . . . . . . . . . . . . . . . 26776 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 26776 _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 0.00 na indirect 0.251449530 . . . . . 26776 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 1.000000000 . . . . . 26776 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26776 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 26776 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26776 1 2 '3D 1H-15N NOESY' . . . 26776 1 3 '2D 1H-15N HSQC' . . . 26776 1 4 '3D HNCA' . . . 26776 1 5 '3D CBCANH' . . . 26776 1 6 '3D CBCA(CO)NH' . . . 26776 1 7 '3D HBHA(CO)NH' . . . 26776 1 8 '3D HCCH-TOCSY' . . . 26776 1 9 '3D HNCACO' . . . 26776 1 10 '3D HNCO' . . . 26776 1 12 '2D 1H-13C HSQC aliphatic' . . . 26776 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 $CcpNmr_Analysis . . 26776 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 13 13 SER HA H 1 4.506 0.020 . 1 . . . . 2 SER HA . 26776 1 2 . 1 1 13 13 SER HB2 H 1 3.854 0.020 . 2 . . . . 2 SER HB2 . 26776 1 3 . 1 1 13 13 SER HB3 H 1 3.880 0.020 . 2 . . . . 2 SER HB3 . 26776 1 4 . 1 1 13 13 SER C C 13 174.256 0.200 . 1 . . . . 2 SER C . 26776 1 5 . 1 1 13 13 SER CA C 13 58.457 0.200 . 1 . . . . 2 SER CA . 26776 1 6 . 1 1 13 13 SER CB C 13 64.048 0.200 . 1 . . . . 2 SER CB . 26776 1 7 . 1 1 14 14 ARG H H 1 8.576 0.020 . 1 . . . . 3 ARG H . 26776 1 8 . 1 1 14 14 ARG HA H 1 4.661 0.020 . 1 . . . . 3 ARG HA . 26776 1 9 . 1 1 14 14 ARG HB2 H 1 1.902 0.020 . 2 . . . . 3 ARG HB2 . 26776 1 10 . 1 1 14 14 ARG HB3 H 1 1.747 0.020 . 2 . . . . 3 ARG HB3 . 26776 1 11 . 1 1 14 14 ARG HG2 H 1 1.731 0.020 . 1 . . . . 3 ARG HG2 . 26776 1 12 . 1 1 14 14 ARG HG3 H 1 1.731 0.020 . 1 . . . . 3 ARG HG3 . 26776 1 13 . 1 1 14 14 ARG HD2 H 1 3.044 0.020 . 2 . . . . 3 ARG HD2 . 26776 1 14 . 1 1 14 14 ARG HD3 H 1 3.187 0.020 . 2 . . . . 3 ARG HD3 . 26776 1 15 . 1 1 14 14 ARG C C 13 175.400 0.200 . 1 . . . . 3 ARG C . 26776 1 16 . 1 1 14 14 ARG CA C 13 55.115 0.200 . 1 . . . . 3 ARG CA . 26776 1 17 . 1 1 14 14 ARG CB C 13 32.177 0.200 . 1 . . . . 3 ARG CB . 26776 1 18 . 1 1 14 14 ARG CG C 13 27.170 0.200 . 1 . . . . 3 ARG CG . 26776 1 19 . 1 1 14 14 ARG CD C 13 43.300 0.200 . 1 . . . . 3 ARG CD . 26776 1 20 . 1 1 14 14 ARG N N 15 123.305 0.200 . 1 . . . . 3 ARG N . 26776 1 21 . 1 1 15 15 THR H H 1 9.951 0.020 . 1 . . . . 4 THR H . 26776 1 22 . 1 1 15 15 THR HA H 1 5.231 0.020 . 1 . . . . 4 THR HA . 26776 1 23 . 1 1 15 15 THR HB H 1 4.069 0.020 . 1 . . . . 4 THR HB . 26776 1 24 . 1 1 15 15 THR HG21 H 1 1.024 0.020 . 1 . . . . 4 THR HG21 . 26776 1 25 . 1 1 15 15 THR HG22 H 1 1.024 0.020 . 1 . . . . 4 THR HG22 . 26776 1 26 . 1 1 15 15 THR HG23 H 1 1.024 0.020 . 1 . . . . 4 THR HG23 . 26776 1 27 . 1 1 15 15 THR C C 13 174.154 0.200 . 1 . . . . 4 THR C . 26776 1 28 . 1 1 15 15 THR CA C 13 62.127 0.200 . 1 . . . . 4 THR CA . 26776 1 29 . 1 1 15 15 THR CB C 13 70.367 0.200 . 1 . . . . 4 THR CB . 26776 1 30 . 1 1 15 15 THR CG2 C 13 21.795 0.200 . 1 . . . . 4 THR CG2 . 26776 1 31 . 1 1 15 15 THR N N 15 119.393 0.200 . 1 . . . . 4 THR N . 26776 1 32 . 1 1 16 16 VAL H H 1 9.406 0.020 . 1 . . . . 5 VAL H . 26776 1 33 . 1 1 16 16 VAL HA H 1 4.578 0.020 . 1 . . . . 5 VAL HA . 26776 1 34 . 1 1 16 16 VAL HB H 1 1.692 0.020 . 1 . . . . 5 VAL HB . 26776 1 35 . 1 1 16 16 VAL HG11 H 1 0.485 0.020 . 2 . . . . 5 VAL HG11 . 26776 1 36 . 1 1 16 16 VAL HG12 H 1 0.485 0.020 . 2 . . . . 5 VAL HG12 . 26776 1 37 . 1 1 16 16 VAL HG13 H 1 0.485 0.020 . 2 . . . . 5 VAL HG13 . 26776 1 38 . 1 1 16 16 VAL HG21 H 1 0.487 0.020 . 2 . . . . 5 VAL HG21 . 26776 1 39 . 1 1 16 16 VAL HG22 H 1 0.487 0.020 . 2 . . . . 5 VAL HG22 . 26776 1 40 . 1 1 16 16 VAL HG23 H 1 0.487 0.020 . 2 . . . . 5 VAL HG23 . 26776 1 41 . 1 1 16 16 VAL C C 13 173.397 0.200 . 1 . . . . 5 VAL C . 26776 1 42 . 1 1 16 16 VAL CA C 13 59.952 0.200 . 1 . . . . 5 VAL CA . 26776 1 43 . 1 1 16 16 VAL CB C 13 34.621 0.200 . 1 . . . . 5 VAL CB . 26776 1 44 . 1 1 16 16 VAL CG1 C 13 20.928 0.200 . 2 . . . . 5 VAL CG1 . 26776 1 45 . 1 1 16 16 VAL CG2 C 13 20.734 0.200 . 2 . . . . 5 VAL CG2 . 26776 1 46 . 1 1 16 16 VAL N N 15 128.852 0.200 . 1 . . . . 5 VAL N . 26776 1 47 . 1 1 17 17 LEU H H 1 8.261 0.020 . 1 . . . . 6 LEU H . 26776 1 48 . 1 1 17 17 LEU HA H 1 5.012 0.020 . 1 . . . . 6 LEU HA . 26776 1 49 . 1 1 17 17 LEU HB2 H 1 1.110 0.020 . 2 . . . . 6 LEU HB2 . 26776 1 50 . 1 1 17 17 LEU HB3 H 1 1.787 0.020 . 2 . . . . 6 LEU HB3 . 26776 1 51 . 1 1 17 17 LEU HG H 1 1.305 0.020 . 1 . . . . 6 LEU HG . 26776 1 52 . 1 1 17 17 LEU HD11 H 1 0.548 0.020 . 2 . . . . 6 LEU HD11 . 26776 1 53 . 1 1 17 17 LEU HD12 H 1 0.548 0.020 . 2 . . . . 6 LEU HD12 . 26776 1 54 . 1 1 17 17 LEU HD13 H 1 0.548 0.020 . 2 . . . . 6 LEU HD13 . 26776 1 55 . 1 1 17 17 LEU HD21 H 1 0.713 0.020 . 2 . . . . 6 LEU HD21 . 26776 1 56 . 1 1 17 17 LEU HD22 H 1 0.713 0.020 . 2 . . . . 6 LEU HD22 . 26776 1 57 . 1 1 17 17 LEU HD23 H 1 0.713 0.020 . 2 . . . . 6 LEU HD23 . 26776 1 58 . 1 1 17 17 LEU C C 13 172.497 0.200 . 1 . . . . 6 LEU C . 26776 1 59 . 1 1 17 17 LEU CA C 13 52.904 0.200 . 1 . . . . 6 LEU CA . 26776 1 60 . 1 1 17 17 LEU CB C 13 44.405 0.200 . 1 . . . . 6 LEU CB . 26776 1 61 . 1 1 17 17 LEU CG C 13 27.012 0.200 . 1 . . . . 6 LEU CG . 26776 1 62 . 1 1 17 17 LEU CD1 C 13 23.288 0.200 . 2 . . . . 6 LEU CD1 . 26776 1 63 . 1 1 17 17 LEU CD2 C 13 27.447 0.200 . 2 . . . . 6 LEU CD2 . 26776 1 64 . 1 1 17 17 LEU N N 15 128.941 0.200 . 1 . . . . 6 LEU N . 26776 1 65 . 1 1 18 18 ALA H H 1 9.038 0.020 . 1 . . . . 7 ALA H . 26776 1 66 . 1 1 18 18 ALA HA H 1 5.232 0.020 . 1 . . . . 7 ALA HA . 26776 1 67 . 1 1 18 18 ALA HB1 H 1 1.044 0.020 . 1 . . . . 7 ALA HB1 . 26776 1 68 . 1 1 18 18 ALA HB2 H 1 1.044 0.020 . 1 . . . . 7 ALA HB2 . 26776 1 69 . 1 1 18 18 ALA HB3 H 1 1.044 0.020 . 1 . . . . 7 ALA HB3 . 26776 1 70 . 1 1 18 18 ALA C C 13 175.008 0.200 . 1 . . . . 7 ALA C . 26776 1 71 . 1 1 18 18 ALA CA C 13 50.198 0.200 . 1 . . . . 7 ALA CA . 26776 1 72 . 1 1 18 18 ALA CB C 13 20.100 0.200 . 1 . . . . 7 ALA CB . 26776 1 73 . 1 1 18 18 ALA N N 15 131.809 0.200 . 1 . . . . 7 ALA N . 26776 1 74 . 1 1 19 19 VAL H H 1 8.575 0.020 . 1 . . . . 8 VAL H . 26776 1 75 . 1 1 19 19 VAL HA H 1 4.592 0.020 . 1 . . . . 8 VAL HA . 26776 1 76 . 1 1 19 19 VAL HB H 1 2.332 0.020 . 1 . . . . 8 VAL HB . 26776 1 77 . 1 1 19 19 VAL HG11 H 1 0.363 0.020 . 2 . . . . 8 VAL HG11 . 26776 1 78 . 1 1 19 19 VAL HG12 H 1 0.363 0.020 . 2 . . . . 8 VAL HG12 . 26776 1 79 . 1 1 19 19 VAL HG13 H 1 0.363 0.020 . 2 . . . . 8 VAL HG13 . 26776 1 80 . 1 1 19 19 VAL HG21 H 1 0.623 0.020 . 2 . . . . 8 VAL HG21 . 26776 1 81 . 1 1 19 19 VAL HG22 H 1 0.623 0.020 . 2 . . . . 8 VAL HG22 . 26776 1 82 . 1 1 19 19 VAL HG23 H 1 0.623 0.020 . 2 . . . . 8 VAL HG23 . 26776 1 83 . 1 1 19 19 VAL C C 13 174.658 0.200 . 1 . . . . 8 VAL C . 26776 1 84 . 1 1 19 19 VAL CA C 13 59.988 0.200 . 1 . . . . 8 VAL CA . 26776 1 85 . 1 1 19 19 VAL CB C 13 32.649 0.200 . 1 . . . . 8 VAL CB . 26776 1 86 . 1 1 19 19 VAL CG1 C 13 21.837 0.200 . 2 . . . . 8 VAL CG1 . 26776 1 87 . 1 1 19 19 VAL CG2 C 13 20.863 0.200 . 2 . . . . 8 VAL CG2 . 26776 1 88 . 1 1 19 19 VAL N N 15 123.207 0.200 . 1 . . . . 8 VAL N . 26776 1 89 . 1 1 20 20 ASP H H 1 7.786 0.020 . 1 . . . . 9 ASP H . 26776 1 90 . 1 1 20 20 ASP HA H 1 4.572 0.020 . 1 . . . . 9 ASP HA . 26776 1 91 . 1 1 20 20 ASP HB2 H 1 2.320 0.020 . 2 . . . . 9 ASP HB2 . 26776 1 92 . 1 1 20 20 ASP HB3 H 1 2.801 0.020 . 2 . . . . 9 ASP HB3 . 26776 1 93 . 1 1 20 20 ASP C C 13 174.466 0.200 . 1 . . . . 9 ASP C . 26776 1 94 . 1 1 20 20 ASP CA C 13 55.261 0.200 . 1 . . . . 9 ASP CA . 26776 1 95 . 1 1 20 20 ASP CB C 13 43.557 0.200 . 1 . . . . 9 ASP CB . 26776 1 96 . 1 1 20 20 ASP N N 15 122.873 0.200 . 1 . . . . 9 ASP N . 26776 1 97 . 1 1 21 21 ASP H H 1 9.057 0.020 . 1 . . . . 10 ASP H . 26776 1 98 . 1 1 21 21 ASP HA H 1 4.930 0.020 . 1 . . . . 10 ASP HA . 26776 1 99 . 1 1 21 21 ASP HB2 H 1 2.788 0.020 . 2 . . . . 10 ASP HB2 . 26776 1 100 . 1 1 21 21 ASP HB3 H 1 2.942 0.020 . 2 . . . . 10 ASP HB3 . 26776 1 101 . 1 1 21 21 ASP C C 13 176.154 0.200 . 1 . . . . 10 ASP C . 26776 1 102 . 1 1 21 21 ASP CA C 13 55.228 0.200 . 1 . . . . 10 ASP CA . 26776 1 103 . 1 1 21 21 ASP CB C 13 40.050 0.200 . 1 . . . . 10 ASP CB . 26776 1 104 . 1 1 21 21 ASP N N 15 123.834 0.200 . 1 . . . . 10 ASP N . 26776 1 105 . 1 1 22 22 SER H H 1 10.535 0.020 . 1 . . . . 11 SER H . 26776 1 106 . 1 1 22 22 SER HA H 1 5.062 0.020 . 1 . . . . 11 SER HA . 26776 1 107 . 1 1 22 22 SER HB2 H 1 3.939 0.020 . 1 . . . . 11 SER HB2 . 26776 1 108 . 1 1 22 22 SER HB3 H 1 3.939 0.020 . 1 . . . . 11 SER HB3 . 26776 1 109 . 1 1 22 22 SER C C 13 174.298 0.200 . 1 . . . . 11 SER C . 26776 1 110 . 1 1 22 22 SER CA C 13 54.048 0.200 . 1 . . . . 11 SER CA . 26776 1 111 . 1 1 22 22 SER CB C 13 62.815 0.200 . 1 . . . . 11 SER CB . 26776 1 112 . 1 1 22 22 SER N N 15 121.170 0.200 . 1 . . . . 11 SER N . 26776 1 113 . 1 1 23 23 PRO HA H 1 4.100 0.020 . 1 . . . . 12 PRO HA . 26776 1 114 . 1 1 23 23 PRO HB2 H 1 2.050 0.020 . 2 . . . . 12 PRO HB2 . 26776 1 115 . 1 1 23 23 PRO HB3 H 1 2.407 0.020 . 2 . . . . 12 PRO HB3 . 26776 1 116 . 1 1 23 23 PRO HG2 H 1 2.206 0.020 . 2 . . . . 12 PRO HG2 . 26776 1 117 . 1 1 23 23 PRO HG3 H 1 2.146 0.020 . 2 . . . . 12 PRO HG3 . 26776 1 118 . 1 1 23 23 PRO HD2 H 1 4.354 0.020 . 2 . . . . 12 PRO HD2 . 26776 1 119 . 1 1 23 23 PRO HD3 H 1 4.158 0.020 . 2 . . . . 12 PRO HD3 . 26776 1 120 . 1 1 23 23 PRO CA C 13 64.716 0.200 . 1 . . . . 12 PRO CA . 26776 1 121 . 1 1 23 23 PRO CB C 13 31.913 0.200 . 1 . . . . 12 PRO CB . 26776 1 122 . 1 1 23 23 PRO CG C 13 27.353 0.200 . 1 . . . . 12 PRO CG . 26776 1 123 . 1 1 23 23 PRO CD C 13 51.256 0.200 . 1 . . . . 12 PRO CD . 26776 1 124 . 1 1 24 24 SER HA H 1 4.227 0.020 . 1 . . . . 13 SER HA . 26776 1 125 . 1 1 24 24 SER HB2 H 1 3.835 0.020 . 2 . . . . 13 SER HB2 . 26776 1 126 . 1 1 24 24 SER HB3 H 1 3.842 0.020 . 2 . . . . 13 SER HB3 . 26776 1 127 . 1 1 24 24 SER C C 13 177.402 0.200 . 1 . . . . 13 SER C . 26776 1 128 . 1 1 24 24 SER CA C 13 61.018 0.200 . 1 . . . . 13 SER CA . 26776 1 129 . 1 1 24 24 SER CB C 13 61.984 0.200 . 1 . . . . 13 SER CB . 26776 1 130 . 1 1 25 25 VAL H H 1 7.414 0.020 . 1 . . . . 14 VAL H . 26776 1 131 . 1 1 25 25 VAL HA H 1 3.802 0.020 . 1 . . . . 14 VAL HA . 26776 1 132 . 1 1 25 25 VAL HB H 1 1.906 0.020 . 1 . . . . 14 VAL HB . 26776 1 133 . 1 1 25 25 VAL HG11 H 1 1.030 0.020 . 2 . . . . 14 VAL HG11 . 26776 1 134 . 1 1 25 25 VAL HG12 H 1 1.030 0.020 . 2 . . . . 14 VAL HG12 . 26776 1 135 . 1 1 25 25 VAL HG13 H 1 1.030 0.020 . 2 . . . . 14 VAL HG13 . 26776 1 136 . 1 1 25 25 VAL HG21 H 1 0.938 0.020 . 2 . . . . 14 VAL HG21 . 26776 1 137 . 1 1 25 25 VAL HG22 H 1 0.938 0.020 . 2 . . . . 14 VAL HG22 . 26776 1 138 . 1 1 25 25 VAL HG23 H 1 0.938 0.020 . 2 . . . . 14 VAL HG23 . 26776 1 139 . 1 1 25 25 VAL C C 13 177.769 0.200 . 1 . . . . 14 VAL C . 26776 1 140 . 1 1 25 25 VAL CA C 13 66.015 0.200 . 1 . . . . 14 VAL CA . 26776 1 141 . 1 1 25 25 VAL CB C 13 31.939 0.200 . 1 . . . . 14 VAL CB . 26776 1 142 . 1 1 25 25 VAL CG1 C 13 22.186 0.200 . 2 . . . . 14 VAL CG1 . 26776 1 143 . 1 1 25 25 VAL CG2 C 13 21.353 0.200 . 2 . . . . 14 VAL CG2 . 26776 1 144 . 1 1 25 25 VAL N N 15 124.017 0.200 . 1 . . . . 14 VAL N . 26776 1 145 . 1 1 26 26 ARG H H 1 7.964 0.020 . 1 . . . . 15 ARG H . 26776 1 146 . 1 1 26 26 ARG HA H 1 3.732 0.020 . 1 . . . . 15 ARG HA . 26776 1 147 . 1 1 26 26 ARG HB2 H 1 1.851 0.020 . 2 . . . . 15 ARG HB2 . 26776 1 148 . 1 1 26 26 ARG HB3 H 1 1.732 0.020 . 2 . . . . 15 ARG HB3 . 26776 1 149 . 1 1 26 26 ARG C C 13 178.174 0.200 . 1 . . . . 15 ARG C . 26776 1 150 . 1 1 26 26 ARG CA C 13 60.867 0.200 . 1 . . . . 15 ARG CA . 26776 1 151 . 1 1 26 26 ARG CB C 13 30.845 0.200 . 1 . . . . 15 ARG CB . 26776 1 152 . 1 1 26 26 ARG N N 15 117.602 0.200 . 1 . . . . 15 ARG N . 26776 1 153 . 1 1 27 27 SER H H 1 8.063 0.020 . 1 . . . . 16 SER H . 26776 1 154 . 1 1 27 27 SER HA H 1 4.227 0.020 . 1 . . . . 16 SER HA . 26776 1 155 . 1 1 27 27 SER HB2 H 1 3.956 0.020 . 2 . . . . 16 SER HB2 . 26776 1 156 . 1 1 27 27 SER HB3 H 1 3.973 0.020 . 2 . . . . 16 SER HB3 . 26776 1 157 . 1 1 27 27 SER C C 13 176.717 0.200 . 1 . . . . 16 SER C . 26776 1 158 . 1 1 27 27 SER CA C 13 61.337 0.200 . 1 . . . . 16 SER CA . 26776 1 159 . 1 1 27 27 SER CB C 13 62.818 0.200 . 1 . . . . 16 SER CB . 26776 1 160 . 1 1 27 27 SER N N 15 110.218 0.200 . 1 . . . . 16 SER N . 26776 1 161 . 1 1 28 28 MET H H 1 7.619 0.020 . 1 . . . . 17 MET H . 26776 1 162 . 1 1 28 28 MET HA H 1 4.338 0.020 . 1 . . . . 17 MET HA . 26776 1 163 . 1 1 28 28 MET HB2 H 1 2.719 0.020 . 2 . . . . 17 MET HB2 . 26776 1 164 . 1 1 28 28 MET HB3 H 1 2.522 0.020 . 2 . . . . 17 MET HB3 . 26776 1 165 . 1 1 28 28 MET HG2 H 1 2.216 0.020 . 2 . . . . 17 MET HG2 . 26776 1 166 . 1 1 28 28 MET HG3 H 1 2.342 0.020 . 2 . . . . 17 MET HG3 . 26776 1 167 . 1 1 28 28 MET C C 13 179.839 0.200 . 1 . . . . 17 MET C . 26776 1 168 . 1 1 28 28 MET CA C 13 58.983 0.200 . 1 . . . . 17 MET CA . 26776 1 169 . 1 1 28 28 MET CB C 13 32.336 0.200 . 1 . . . . 17 MET CB . 26776 1 170 . 1 1 28 28 MET CG C 13 32.382 0.200 . 1 . . . . 17 MET CG . 26776 1 171 . 1 1 28 28 MET N N 15 121.783 0.200 . 1 . . . . 17 MET N . 26776 1 172 . 1 1 29 29 VAL H H 1 8.865 0.020 . 1 . . . . 18 VAL H . 26776 1 173 . 1 1 29 29 VAL HA H 1 3.311 0.020 . 1 . . . . 18 VAL HA . 26776 1 174 . 1 1 29 29 VAL HB H 1 2.051 0.020 . 1 . . . . 18 VAL HB . 26776 1 175 . 1 1 29 29 VAL HG11 H 1 0.644 0.020 . 2 . . . . 18 VAL HG11 . 26776 1 176 . 1 1 29 29 VAL HG12 H 1 0.644 0.020 . 2 . . . . 18 VAL HG12 . 26776 1 177 . 1 1 29 29 VAL HG13 H 1 0.644 0.020 . 2 . . . . 18 VAL HG13 . 26776 1 178 . 1 1 29 29 VAL HG21 H 1 0.843 0.020 . 2 . . . . 18 VAL HG21 . 26776 1 179 . 1 1 29 29 VAL HG22 H 1 0.843 0.020 . 2 . . . . 18 VAL HG22 . 26776 1 180 . 1 1 29 29 VAL HG23 H 1 0.843 0.020 . 2 . . . . 18 VAL HG23 . 26776 1 181 . 1 1 29 29 VAL C C 13 177.158 0.200 . 1 . . . . 18 VAL C . 26776 1 182 . 1 1 29 29 VAL CA C 13 67.037 0.200 . 1 . . . . 18 VAL CA . 26776 1 183 . 1 1 29 29 VAL CB C 13 31.749 0.200 . 1 . . . . 18 VAL CB . 26776 1 184 . 1 1 29 29 VAL CG1 C 13 21.513 0.200 . 2 . . . . 18 VAL CG1 . 26776 1 185 . 1 1 29 29 VAL CG2 C 13 23.248 0.200 . 2 . . . . 18 VAL CG2 . 26776 1 186 . 1 1 29 29 VAL N N 15 123.576 0.200 . 1 . . . . 18 VAL N . 26776 1 187 . 1 1 30 30 ALA H H 1 8.750 0.020 . 1 . . . . 19 ALA H . 26776 1 188 . 1 1 30 30 ALA HA H 1 3.925 0.020 . 1 . . . . 19 ALA HA . 26776 1 189 . 1 1 30 30 ALA HB1 H 1 1.371 0.020 . 1 . . . . 19 ALA HB1 . 26776 1 190 . 1 1 30 30 ALA HB2 H 1 1.371 0.020 . 1 . . . . 19 ALA HB2 . 26776 1 191 . 1 1 30 30 ALA HB3 H 1 1.371 0.020 . 1 . . . . 19 ALA HB3 . 26776 1 192 . 1 1 30 30 ALA C C 13 179.423 0.200 . 1 . . . . 19 ALA C . 26776 1 193 . 1 1 30 30 ALA CA C 13 55.647 0.200 . 1 . . . . 19 ALA CA . 26776 1 194 . 1 1 30 30 ALA CB C 13 18.102 0.200 . 1 . . . . 19 ALA CB . 26776 1 195 . 1 1 30 30 ALA N N 15 119.892 0.200 . 1 . . . . 19 ALA N . 26776 1 196 . 1 1 31 31 MET H H 1 8.588 0.020 . 1 . . . . 20 MET H . 26776 1 197 . 1 1 31 31 MET HA H 1 4.135 0.020 . 1 . . . . 20 MET HA . 26776 1 198 . 1 1 31 31 MET HB2 H 1 2.276 0.020 . 2 . . . . 20 MET HB2 . 26776 1 199 . 1 1 31 31 MET HB3 H 1 2.176 0.020 . 2 . . . . 20 MET HB3 . 26776 1 200 . 1 1 31 31 MET HG2 H 1 2.634 0.020 . 2 . . . . 20 MET HG2 . 26776 1 201 . 1 1 31 31 MET HG3 H 1 2.720 0.020 . 2 . . . . 20 MET HG3 . 26776 1 202 . 1 1 31 31 MET C C 13 178.626 0.200 . 1 . . . . 20 MET C . 26776 1 203 . 1 1 31 31 MET CA C 13 59.123 0.200 . 1 . . . . 20 MET CA . 26776 1 204 . 1 1 31 31 MET CB C 13 32.142 0.200 . 1 . . . . 20 MET CB . 26776 1 205 . 1 1 31 31 MET CG C 13 31.858 0.200 . 1 . . . . 20 MET CG . 26776 1 206 . 1 1 31 31 MET N N 15 116.149 0.200 . 1 . . . . 20 MET N . 26776 1 207 . 1 1 32 32 THR H H 1 7.790 0.020 . 1 . . . . 21 THR H . 26776 1 208 . 1 1 32 32 THR HA H 1 3.894 0.020 . 1 . . . . 21 THR HA . 26776 1 209 . 1 1 32 32 THR HB H 1 4.307 0.020 . 1 . . . . 21 THR HB . 26776 1 210 . 1 1 32 32 THR HG21 H 1 1.271 0.020 . 1 . . . . 21 THR HG21 . 26776 1 211 . 1 1 32 32 THR HG22 H 1 1.271 0.020 . 1 . . . . 21 THR HG22 . 26776 1 212 . 1 1 32 32 THR HG23 H 1 1.271 0.020 . 1 . . . . 21 THR HG23 . 26776 1 213 . 1 1 32 32 THR C C 13 176.499 0.200 . 1 . . . . 21 THR C . 26776 1 214 . 1 1 32 32 THR CA C 13 66.979 0.200 . 1 . . . . 21 THR CA . 26776 1 215 . 1 1 32 32 THR CB C 13 68.654 0.200 . 1 . . . . 21 THR CB . 26776 1 216 . 1 1 32 32 THR CG2 C 13 21.821 0.200 . 1 . . . . 21 THR CG2 . 26776 1 217 . 1 1 32 32 THR N N 15 115.396 0.200 . 1 . . . . 21 THR N . 26776 1 218 . 1 1 33 33 LEU H H 1 8.009 0.020 . 1 . . . . 22 LEU H . 26776 1 219 . 1 1 33 33 LEU HA H 1 4.158 0.020 . 1 . . . . 22 LEU HA . 26776 1 220 . 1 1 33 33 LEU HB2 H 1 1.148 0.020 . 2 . . . . 22 LEU HB2 . 26776 1 221 . 1 1 33 33 LEU HB3 H 1 1.882 0.020 . 2 . . . . 22 LEU HB3 . 26776 1 222 . 1 1 33 33 LEU HG H 1 1.786 0.020 . 1 . . . . 22 LEU HG . 26776 1 223 . 1 1 33 33 LEU HD11 H 1 0.442 0.020 . 2 . . . . 22 LEU HD11 . 26776 1 224 . 1 1 33 33 LEU HD12 H 1 0.442 0.020 . 2 . . . . 22 LEU HD12 . 26776 1 225 . 1 1 33 33 LEU HD13 H 1 0.442 0.020 . 2 . . . . 22 LEU HD13 . 26776 1 226 . 1 1 33 33 LEU HD21 H 1 0.529 0.020 . 2 . . . . 22 LEU HD21 . 26776 1 227 . 1 1 33 33 LEU HD22 H 1 0.529 0.020 . 2 . . . . 22 LEU HD22 . 26776 1 228 . 1 1 33 33 LEU HD23 H 1 0.529 0.020 . 2 . . . . 22 LEU HD23 . 26776 1 229 . 1 1 33 33 LEU C C 13 179.289 0.200 . 1 . . . . 22 LEU C . 26776 1 230 . 1 1 33 33 LEU CA C 13 57.421 0.200 . 1 . . . . 22 LEU CA . 26776 1 231 . 1 1 33 33 LEU CB C 13 40.972 0.200 . 1 . . . . 22 LEU CB . 26776 1 232 . 1 1 33 33 LEU CG C 13 26.798 0.200 . 1 . . . . 22 LEU CG . 26776 1 233 . 1 1 33 33 LEU CD1 C 13 22.407 0.200 . 2 . . . . 22 LEU CD1 . 26776 1 234 . 1 1 33 33 LEU CD2 C 13 26.132 0.200 . 2 . . . . 22 LEU CD2 . 26776 1 235 . 1 1 33 33 LEU N N 15 118.741 0.200 . 1 . . . . 22 LEU N . 26776 1 236 . 1 1 34 34 ARG H H 1 9.011 0.020 . 1 . . . . 23 ARG H . 26776 1 237 . 1 1 34 34 ARG HA H 1 4.790 0.020 . 1 . . . . 23 ARG HA . 26776 1 238 . 1 1 34 34 ARG HB2 H 1 1.938 0.020 . 1 . . . . 23 ARG HB2 . 26776 1 239 . 1 1 34 34 ARG HB3 H 1 1.938 0.020 . 1 . . . . 23 ARG HB3 . 26776 1 240 . 1 1 34 34 ARG HG3 H 1 1.751 0.020 . 1 . . . . 23 ARG HG3 . 26776 1 241 . 1 1 34 34 ARG HD2 H 1 3.194 0.020 . 2 . . . . 23 ARG HD2 . 26776 1 242 . 1 1 34 34 ARG HD3 H 1 3.156 0.020 . 2 . . . . 23 ARG HD3 . 26776 1 243 . 1 1 34 34 ARG C C 13 181.915 0.200 . 1 . . . . 23 ARG C . 26776 1 244 . 1 1 34 34 ARG CA C 13 59.688 0.200 . 1 . . . . 23 ARG CA . 26776 1 245 . 1 1 34 34 ARG CB C 13 29.881 0.200 . 1 . . . . 23 ARG CB . 26776 1 246 . 1 1 34 34 ARG CD C 13 44.219 0.200 . 1 . . . . 23 ARG CD . 26776 1 247 . 1 1 34 34 ARG N N 15 121.708 0.200 . 1 . . . . 23 ARG N . 26776 1 248 . 1 1 35 35 GLU H H 1 8.024 0.020 . 1 . . . . 24 GLU H . 26776 1 249 . 1 1 35 35 GLU HA H 1 4.114 0.020 . 1 . . . . 24 GLU HA . 26776 1 250 . 1 1 35 35 GLU HB2 H 1 2.200 0.020 . 1 . . . . 24 GLU HB2 . 26776 1 251 . 1 1 35 35 GLU HB3 H 1 2.200 0.020 . 1 . . . . 24 GLU HB3 . 26776 1 252 . 1 1 35 35 GLU C C 13 177.185 0.200 . 1 . . . . 24 GLU C . 26776 1 253 . 1 1 35 35 GLU CA C 13 59.019 0.200 . 1 . . . . 24 GLU CA . 26776 1 254 . 1 1 35 35 GLU CB C 13 29.120 0.200 . 1 . . . . 24 GLU CB . 26776 1 255 . 1 1 35 35 GLU N N 15 120.387 0.200 . 1 . . . . 24 GLU N . 26776 1 256 . 1 1 36 36 ALA H H 1 7.148 0.020 . 1 . . . . 25 ALA H . 26776 1 257 . 1 1 36 36 ALA HA H 1 4.482 0.020 . 1 . . . . 25 ALA HA . 26776 1 258 . 1 1 36 36 ALA HB1 H 1 1.645 0.020 . 1 . . . . 25 ALA HB1 . 26776 1 259 . 1 1 36 36 ALA HB2 H 1 1.645 0.020 . 1 . . . . 25 ALA HB2 . 26776 1 260 . 1 1 36 36 ALA HB3 H 1 1.645 0.020 . 1 . . . . 25 ALA HB3 . 26776 1 261 . 1 1 36 36 ALA C C 13 176.688 0.200 . 1 . . . . 25 ALA C . 26776 1 262 . 1 1 36 36 ALA CA C 13 51.649 0.200 . 1 . . . . 25 ALA CA . 26776 1 263 . 1 1 36 36 ALA CB C 13 19.823 0.200 . 1 . . . . 25 ALA CB . 26776 1 264 . 1 1 36 36 ALA N N 15 118.953 0.200 . 1 . . . . 25 ALA N . 26776 1 265 . 1 1 37 37 GLY H H 1 7.699 0.020 . 1 . . . . 26 GLY H . 26776 1 266 . 1 1 37 37 GLY HA2 H 1 3.610 0.020 . 2 . . . . 26 GLY HA2 . 26776 1 267 . 1 1 37 37 GLY HA3 H 1 4.072 0.020 . 2 . . . . 26 GLY HA3 . 26776 1 268 . 1 1 37 37 GLY C C 13 174.420 0.200 . 1 . . . . 26 GLY C . 26776 1 269 . 1 1 37 37 GLY CA C 13 45.219 0.200 . 1 . . . . 26 GLY CA . 26776 1 270 . 1 1 37 37 GLY N N 15 105.393 0.200 . 1 . . . . 26 GLY N . 26776 1 271 . 1 1 38 38 TYR H H 1 7.888 0.020 . 1 . . . . 27 TYR H . 26776 1 272 . 1 1 38 38 TYR HA H 1 4.588 0.020 . 1 . . . . 27 TYR HA . 26776 1 273 . 1 1 38 38 TYR HB2 H 1 2.312 0.020 . 2 . . . . 27 TYR HB2 . 26776 1 274 . 1 1 38 38 TYR HB3 H 1 2.882 0.020 . 2 . . . . 27 TYR HB3 . 26776 1 275 . 1 1 38 38 TYR HD1 H 1 7.062 0.020 . 3 . . . . 27 TYR HD1 . 26776 1 276 . 1 1 38 38 TYR HD2 H 1 7.062 0.020 . 3 . . . . 27 TYR HD2 . 26776 1 277 . 1 1 38 38 TYR HE1 H 1 6.488 0.020 . 3 . . . . 27 TYR HE1 . 26776 1 278 . 1 1 38 38 TYR HE2 H 1 6.488 0.020 . 3 . . . . 27 TYR HE2 . 26776 1 279 . 1 1 38 38 TYR C C 13 175.886 0.200 . 1 . . . . 27 TYR C . 26776 1 280 . 1 1 38 38 TYR CA C 13 58.063 0.200 . 1 . . . . 27 TYR CA . 26776 1 281 . 1 1 38 38 TYR CB C 13 38.250 0.200 . 1 . . . . 27 TYR CB . 26776 1 282 . 1 1 38 38 TYR CD1 C 13 132.837 0.200 . 3 . . . . 27 TYR CD1 . 26776 1 283 . 1 1 38 38 TYR CD2 C 13 132.837 0.200 . 3 . . . . 27 TYR CD2 . 26776 1 284 . 1 1 38 38 TYR CE1 C 13 117.513 0.200 . 3 . . . . 27 TYR CE1 . 26776 1 285 . 1 1 38 38 TYR CE2 C 13 117.513 0.200 . 3 . . . . 27 TYR CE2 . 26776 1 286 . 1 1 38 38 TYR N N 15 119.665 0.200 . 1 . . . . 27 TYR N . 26776 1 287 . 1 1 39 39 ARG H H 1 8.733 0.020 . 1 . . . . 28 ARG H . 26776 1 288 . 1 1 39 39 ARG HA H 1 4.536 0.020 . 1 . . . . 28 ARG HA . 26776 1 289 . 1 1 39 39 ARG HB2 H 1 1.874 0.020 . 2 . . . . 28 ARG HB2 . 26776 1 290 . 1 1 39 39 ARG HB3 H 1 1.739 0.020 . 2 . . . . 28 ARG HB3 . 26776 1 291 . 1 1 39 39 ARG HG2 H 1 1.691 0.020 . 2 . . . . 28 ARG HG2 . 26776 1 292 . 1 1 39 39 ARG HG3 H 1 1.345 0.020 . 2 . . . . 28 ARG HG3 . 26776 1 293 . 1 1 39 39 ARG HD2 H 1 3.097 0.020 . 1 . . . . 28 ARG HD2 . 26776 1 294 . 1 1 39 39 ARG HD3 H 1 3.097 0.020 . 1 . . . . 28 ARG HD3 . 26776 1 295 . 1 1 39 39 ARG C C 13 175.380 0.200 . 1 . . . . 28 ARG C . 26776 1 296 . 1 1 39 39 ARG CA C 13 55.568 0.200 . 1 . . . . 28 ARG CA . 26776 1 297 . 1 1 39 39 ARG CB C 13 30.581 0.200 . 1 . . . . 28 ARG CB . 26776 1 298 . 1 1 39 39 ARG CG C 13 28.458 0.200 . 1 . . . . 28 ARG CG . 26776 1 299 . 1 1 39 39 ARG CD C 13 43.142 0.200 . 1 . . . . 28 ARG CD . 26776 1 300 . 1 1 39 39 ARG N N 15 122.590 0.200 . 1 . . . . 28 ARG N . 26776 1 301 . 1 1 40 40 VAL H H 1 8.755 0.020 . 1 . . . . 29 VAL H . 26776 1 302 . 1 1 40 40 VAL HA H 1 5.345 0.020 . 1 . . . . 29 VAL HA . 26776 1 303 . 1 1 40 40 VAL HB H 1 1.786 0.020 . 1 . . . . 29 VAL HB . 26776 1 304 . 1 1 40 40 VAL HG11 H 1 0.769 0.020 . 2 . . . . 29 VAL HG11 . 26776 1 305 . 1 1 40 40 VAL HG12 H 1 0.769 0.020 . 2 . . . . 29 VAL HG12 . 26776 1 306 . 1 1 40 40 VAL HG13 H 1 0.769 0.020 . 2 . . . . 29 VAL HG13 . 26776 1 307 . 1 1 40 40 VAL HG21 H 1 0.920 0.020 . 2 . . . . 29 VAL HG21 . 26776 1 308 . 1 1 40 40 VAL HG22 H 1 0.920 0.020 . 2 . . . . 29 VAL HG22 . 26776 1 309 . 1 1 40 40 VAL HG23 H 1 0.920 0.020 . 2 . . . . 29 VAL HG23 . 26776 1 310 . 1 1 40 40 VAL C C 13 175.930 0.200 . 1 . . . . 29 VAL C . 26776 1 311 . 1 1 40 40 VAL CA C 13 60.381 0.200 . 1 . . . . 29 VAL CA . 26776 1 312 . 1 1 40 40 VAL CB C 13 34.747 0.200 . 1 . . . . 29 VAL CB . 26776 1 313 . 1 1 40 40 VAL CG1 C 13 21.070 0.200 . 2 . . . . 29 VAL CG1 . 26776 1 314 . 1 1 40 40 VAL CG2 C 13 23.646 0.200 . 2 . . . . 29 VAL CG2 . 26776 1 315 . 1 1 40 40 VAL N N 15 124.516 0.200 . 1 . . . . 29 VAL N . 26776 1 316 . 1 1 41 41 ILE H H 1 8.747 0.020 . 1 . . . . 30 ILE H . 26776 1 317 . 1 1 41 41 ILE HA H 1 4.415 0.020 . 1 . . . . 30 ILE HA . 26776 1 318 . 1 1 41 41 ILE HB H 1 1.541 0.020 . 1 . . . . 30 ILE HB . 26776 1 319 . 1 1 41 41 ILE HG12 H 1 1.286 0.020 . 2 . . . . 30 ILE HG12 . 26776 1 320 . 1 1 41 41 ILE HG13 H 1 0.880 0.020 . 2 . . . . 30 ILE HG13 . 26776 1 321 . 1 1 41 41 ILE HG21 H 1 0.801 0.020 . 1 . . . . 30 ILE HG21 . 26776 1 322 . 1 1 41 41 ILE HG22 H 1 0.801 0.020 . 1 . . . . 30 ILE HG22 . 26776 1 323 . 1 1 41 41 ILE HG23 H 1 0.801 0.020 . 1 . . . . 30 ILE HG23 . 26776 1 324 . 1 1 41 41 ILE HD11 H 1 0.637 0.020 . 1 . . . . 30 ILE HD11 . 26776 1 325 . 1 1 41 41 ILE HD12 H 1 0.637 0.020 . 1 . . . . 30 ILE HD12 . 26776 1 326 . 1 1 41 41 ILE HD13 H 1 0.637 0.020 . 1 . . . . 30 ILE HD13 . 26776 1 327 . 1 1 41 41 ILE C C 13 173.980 0.200 . 1 . . . . 30 ILE C . 26776 1 328 . 1 1 41 41 ILE CA C 13 59.418 0.200 . 1 . . . . 30 ILE CA . 26776 1 329 . 1 1 41 41 ILE CB C 13 40.487 0.200 . 1 . . . . 30 ILE CB . 26776 1 330 . 1 1 41 41 ILE CG1 C 13 26.144 0.200 . 1 . . . . 30 ILE CG1 . 26776 1 331 . 1 1 41 41 ILE CG2 C 13 17.785 0.200 . 1 . . . . 30 ILE CG2 . 26776 1 332 . 1 1 41 41 ILE CD1 C 13 13.602 0.200 . 1 . . . . 30 ILE CD1 . 26776 1 333 . 1 1 41 41 ILE N N 15 126.857 0.200 . 1 . . . . 30 ILE N . 26776 1 334 . 1 1 42 42 GLU H H 1 8.646 0.020 . 1 . . . . 31 GLU H . 26776 1 335 . 1 1 42 42 GLU HA H 1 5.298 0.020 . 1 . . . . 31 GLU HA . 26776 1 336 . 1 1 42 42 GLU HB2 H 1 1.836 0.020 . 2 . . . . 31 GLU HB2 . 26776 1 337 . 1 1 42 42 GLU HB3 H 1 1.843 0.020 . 2 . . . . 31 GLU HB3 . 26776 1 338 . 1 1 42 42 GLU HG2 H 1 1.969 0.020 . 1 . . . . 31 GLU HG2 . 26776 1 339 . 1 1 42 42 GLU HG3 H 1 1.969 0.020 . 1 . . . . 31 GLU HG3 . 26776 1 340 . 1 1 42 42 GLU C C 13 175.288 0.200 . 1 . . . . 31 GLU C . 26776 1 341 . 1 1 42 42 GLU CA C 13 55.336 0.200 . 1 . . . . 31 GLU CA . 26776 1 342 . 1 1 42 42 GLU CB C 13 34.381 0.200 . 1 . . . . 31 GLU CB . 26776 1 343 . 1 1 42 42 GLU CG C 13 37.668 0.200 . 1 . . . . 31 GLU CG . 26776 1 344 . 1 1 42 42 GLU N N 15 123.339 0.200 . 1 . . . . 31 GLU N . 26776 1 345 . 1 1 43 43 ALA H H 1 8.554 0.020 . 1 . . . . 32 ALA H . 26776 1 346 . 1 1 43 43 ALA HA H 1 4.729 0.020 . 1 . . . . 32 ALA HA . 26776 1 347 . 1 1 43 43 ALA HB1 H 1 1.204 0.020 . 1 . . . . 32 ALA HB1 . 26776 1 348 . 1 1 43 43 ALA HB2 H 1 1.204 0.020 . 1 . . . . 32 ALA HB2 . 26776 1 349 . 1 1 43 43 ALA HB3 H 1 1.204 0.020 . 1 . . . . 32 ALA HB3 . 26776 1 350 . 1 1 43 43 ALA C C 13 176.253 0.200 . 1 . . . . 32 ALA C . 26776 1 351 . 1 1 43 43 ALA CA C 13 50.548 0.200 . 1 . . . . 32 ALA CA . 26776 1 352 . 1 1 43 43 ALA CB C 13 22.884 0.200 . 1 . . . . 32 ALA CB . 26776 1 353 . 1 1 43 43 ALA N N 15 120.484 0.200 . 1 . . . . 32 ALA N . 26776 1 354 . 1 1 44 44 THR H H 1 8.631 0.020 . 1 . . . . 33 THR H . 26776 1 355 . 1 1 44 44 THR HA H 1 4.496 0.020 . 1 . . . . 33 THR HA . 26776 1 356 . 1 1 44 44 THR HB H 1 4.344 0.020 . 1 . . . . 33 THR HB . 26776 1 357 . 1 1 44 44 THR HG21 H 1 1.113 0.020 . 1 . . . . 33 THR HG21 . 26776 1 358 . 1 1 44 44 THR HG22 H 1 1.113 0.020 . 1 . . . . 33 THR HG22 . 26776 1 359 . 1 1 44 44 THR HG23 H 1 1.113 0.020 . 1 . . . . 33 THR HG23 . 26776 1 360 . 1 1 44 44 THR C C 13 173.309 0.200 . 1 . . . . 33 THR C . 26776 1 361 . 1 1 44 44 THR CA C 13 62.680 0.200 . 1 . . . . 33 THR CA . 26776 1 362 . 1 1 44 44 THR CB C 13 70.090 0.200 . 1 . . . . 33 THR CB . 26776 1 363 . 1 1 44 44 THR CG2 C 13 20.973 0.200 . 1 . . . . 33 THR CG2 . 26776 1 364 . 1 1 44 44 THR N N 15 108.925 0.200 . 1 . . . . 33 THR N . 26776 1 365 . 1 1 45 45 ASP H H 1 7.298 0.020 . 1 . . . . 34 ASP H . 26776 1 366 . 1 1 45 45 ASP HA H 1 5.235 0.020 . 1 . . . . 34 ASP HA . 26776 1 367 . 1 1 45 45 ASP HB2 H 1 2.962 0.020 . 2 . . . . 34 ASP HB2 . 26776 1 368 . 1 1 45 45 ASP HB3 H 1 3.726 0.020 . 2 . . . . 34 ASP HB3 . 26776 1 369 . 1 1 45 45 ASP C C 13 176.679 0.200 . 1 . . . . 34 ASP C . 26776 1 370 . 1 1 45 45 ASP CA C 13 53.832 0.200 . 1 . . . . 34 ASP CA . 26776 1 371 . 1 1 45 45 ASP CB C 13 41.103 0.200 . 1 . . . . 34 ASP CB . 26776 1 372 . 1 1 45 45 ASP N N 15 113.524 0.200 . 1 . . . . 34 ASP N . 26776 1 373 . 1 1 46 46 GLY H H 1 7.327 0.020 . 1 . . . . 35 GLY H . 26776 1 374 . 1 1 46 46 GLY HA2 H 1 3.184 0.020 . 2 . . . . 35 GLY HA2 . 26776 1 375 . 1 1 46 46 GLY HA3 H 1 3.684 0.020 . 2 . . . . 35 GLY HA3 . 26776 1 376 . 1 1 46 46 GLY C C 13 174.357 0.200 . 1 . . . . 35 GLY C . 26776 1 377 . 1 1 46 46 GLY CA C 13 47.314 0.200 . 1 . . . . 35 GLY CA . 26776 1 378 . 1 1 46 46 GLY N N 15 102.772 0.200 . 1 . . . . 35 GLY N . 26776 1 379 . 1 1 47 47 ARG H H 1 8.281 0.020 . 1 . . . . 36 ARG H . 26776 1 380 . 1 1 47 47 ARG HA H 1 3.964 0.020 . 1 . . . . 36 ARG HA . 26776 1 381 . 1 1 47 47 ARG HB2 H 1 2.026 0.020 . 2 . . . . 36 ARG HB2 . 26776 1 382 . 1 1 47 47 ARG HB3 H 1 1.779 0.020 . 2 . . . . 36 ARG HB3 . 26776 1 383 . 1 1 47 47 ARG C C 13 178.588 0.200 . 1 . . . . 36 ARG C . 26776 1 384 . 1 1 47 47 ARG CA C 13 58.626 0.200 . 1 . . . . 36 ARG CA . 26776 1 385 . 1 1 47 47 ARG CB C 13 29.360 0.200 . 1 . . . . 36 ARG CB . 26776 1 386 . 1 1 47 47 ARG N N 15 123.896 0.200 . 1 . . . . 36 ARG N . 26776 1 387 . 1 1 48 48 GLU H H 1 8.778 0.020 . 1 . . . . 37 GLU H . 26776 1 388 . 1 1 48 48 GLU HA H 1 3.998 0.020 . 1 . . . . 37 GLU HA . 26776 1 389 . 1 1 48 48 GLU HB2 H 1 1.920 0.020 . 2 . . . . 37 GLU HB2 . 26776 1 390 . 1 1 48 48 GLU HB3 H 1 1.939 0.020 . 2 . . . . 37 GLU HB3 . 26776 1 391 . 1 1 48 48 GLU HG2 H 1 2.419 0.020 . 2 . . . . 37 GLU HG2 . 26776 1 392 . 1 1 48 48 GLU HG3 H 1 2.148 0.020 . 2 . . . . 37 GLU HG3 . 26776 1 393 . 1 1 48 48 GLU C C 13 179.064 0.200 . 1 . . . . 37 GLU C . 26776 1 394 . 1 1 48 48 GLU CA C 13 58.669 0.200 . 1 . . . . 37 GLU CA . 26776 1 395 . 1 1 48 48 GLU CB C 13 30.593 0.200 . 1 . . . . 37 GLU CB . 26776 1 396 . 1 1 48 48 GLU CG C 13 36.509 0.200 . 1 . . . . 37 GLU CG . 26776 1 397 . 1 1 48 48 GLU N N 15 122.316 0.200 . 1 . . . . 37 GLU N . 26776 1 398 . 1 1 49 49 GLY H H 1 8.382 0.020 . 1 . . . . 38 GLY H . 26776 1 399 . 1 1 49 49 GLY HA2 H 1 2.421 0.020 . 2 . . . . 38 GLY HA2 . 26776 1 400 . 1 1 49 49 GLY HA3 H 1 2.923 0.020 . 2 . . . . 38 GLY HA3 . 26776 1 401 . 1 1 49 49 GLY C C 13 172.872 0.200 . 1 . . . . 38 GLY C . 26776 1 402 . 1 1 49 49 GLY CA C 13 47.349 0.200 . 1 . . . . 38 GLY CA . 26776 1 403 . 1 1 49 49 GLY N N 15 105.334 0.200 . 1 . . . . 38 GLY N . 26776 1 404 . 1 1 50 50 LEU H H 1 7.323 0.020 . 1 . . . . 39 LEU H . 26776 1 405 . 1 1 50 50 LEU HA H 1 3.861 0.020 . 1 . . . . 39 LEU HA . 26776 1 406 . 1 1 50 50 LEU HB2 H 1 2.016 0.020 . 2 . . . . 39 LEU HB2 . 26776 1 407 . 1 1 50 50 LEU HB3 H 1 1.580 0.020 . 2 . . . . 39 LEU HB3 . 26776 1 408 . 1 1 50 50 LEU HG H 1 1.677 0.020 . 1 . . . . 39 LEU HG . 26776 1 409 . 1 1 50 50 LEU HD11 H 1 1.127 0.020 . 2 . . . . 39 LEU HD11 . 26776 1 410 . 1 1 50 50 LEU HD12 H 1 1.127 0.020 . 2 . . . . 39 LEU HD12 . 26776 1 411 . 1 1 50 50 LEU HD13 H 1 1.127 0.020 . 2 . . . . 39 LEU HD13 . 26776 1 412 . 1 1 50 50 LEU HD21 H 1 0.991 0.020 . 2 . . . . 39 LEU HD21 . 26776 1 413 . 1 1 50 50 LEU HD22 H 1 0.991 0.020 . 2 . . . . 39 LEU HD22 . 26776 1 414 . 1 1 50 50 LEU HD23 H 1 0.991 0.020 . 2 . . . . 39 LEU HD23 . 26776 1 415 . 1 1 50 50 LEU C C 13 176.914 0.200 . 1 . . . . 39 LEU C . 26776 1 416 . 1 1 50 50 LEU CA C 13 58.242 0.200 . 1 . . . . 39 LEU CA . 26776 1 417 . 1 1 50 50 LEU CB C 13 42.025 0.200 . 1 . . . . 39 LEU CB . 26776 1 418 . 1 1 50 50 LEU CG C 13 26.592 0.200 . 1 . . . . 39 LEU CG . 26776 1 419 . 1 1 50 50 LEU CD1 C 13 22.674 0.200 . 2 . . . . 39 LEU CD1 . 26776 1 420 . 1 1 50 50 LEU CD2 C 13 26.103 0.200 . 2 . . . . 39 LEU CD2 . 26776 1 421 . 1 1 50 50 LEU N N 15 122.231 0.200 . 1 . . . . 39 LEU N . 26776 1 422 . 1 1 51 51 GLU H H 1 7.471 0.020 . 1 . . . . 40 GLU H . 26776 1 423 . 1 1 51 51 GLU HA H 1 3.852 0.020 . 1 . . . . 40 GLU HA . 26776 1 424 . 1 1 51 51 GLU HB2 H 1 2.089 0.020 . 1 . . . . 40 GLU HB2 . 26776 1 425 . 1 1 51 51 GLU HB3 H 1 2.089 0.020 . 1 . . . . 40 GLU HB3 . 26776 1 426 . 1 1 51 51 GLU HG2 H 1 2.342 0.020 . 1 . . . . 40 GLU HG2 . 26776 1 427 . 1 1 51 51 GLU HG3 H 1 2.342 0.020 . 1 . . . . 40 GLU HG3 . 26776 1 428 . 1 1 51 51 GLU C C 13 180.972 0.200 . 1 . . . . 40 GLU C . 26776 1 429 . 1 1 51 51 GLU CA C 13 59.288 0.200 . 1 . . . . 40 GLU CA . 26776 1 430 . 1 1 51 51 GLU CB C 13 29.241 0.200 . 1 . . . . 40 GLU CB . 26776 1 431 . 1 1 51 51 GLU CG C 13 36.004 0.200 . 1 . . . . 40 GLU CG . 26776 1 432 . 1 1 51 51 GLU N N 15 115.816 0.200 . 1 . . . . 40 GLU N . 26776 1 433 . 1 1 52 52 LYS H H 1 8.269 0.020 . 1 . . . . 41 LYS H . 26776 1 434 . 1 1 52 52 LYS HA H 1 4.004 0.020 . 1 . . . . 41 LYS HA . 26776 1 435 . 1 1 52 52 LYS HB2 H 1 1.817 0.020 . 2 . . . . 41 LYS HB2 . 26776 1 436 . 1 1 52 52 LYS HB3 H 1 1.440 0.020 . 2 . . . . 41 LYS HB3 . 26776 1 437 . 1 1 52 52 LYS C C 13 177.865 0.200 . 1 . . . . 41 LYS C . 26776 1 438 . 1 1 52 52 LYS CA C 13 59.227 0.200 . 1 . . . . 41 LYS CA . 26776 1 439 . 1 1 52 52 LYS CB C 13 32.805 0.200 . 1 . . . . 41 LYS CB . 26776 1 440 . 1 1 52 52 LYS N N 15 118.677 0.200 . 1 . . . . 41 LYS N . 26776 1 441 . 1 1 53 53 ALA H H 1 8.504 0.020 . 1 . . . . 42 ALA H . 26776 1 442 . 1 1 53 53 ALA HA H 1 3.799 0.020 . 1 . . . . 42 ALA HA . 26776 1 443 . 1 1 53 53 ALA HB1 H 1 0.892 0.020 . 1 . . . . 42 ALA HB1 . 26776 1 444 . 1 1 53 53 ALA HB2 H 1 0.892 0.020 . 1 . . . . 42 ALA HB2 . 26776 1 445 . 1 1 53 53 ALA HB3 H 1 0.892 0.020 . 1 . . . . 42 ALA HB3 . 26776 1 446 . 1 1 53 53 ALA C C 13 177.580 0.200 . 1 . . . . 42 ALA C . 26776 1 447 . 1 1 53 53 ALA CA C 13 54.372 0.200 . 1 . . . . 42 ALA CA . 26776 1 448 . 1 1 53 53 ALA CB C 13 17.775 0.200 . 1 . . . . 42 ALA CB . 26776 1 449 . 1 1 53 53 ALA N N 15 120.236 0.200 . 1 . . . . 42 ALA N . 26776 1 450 . 1 1 54 54 LEU H H 1 7.349 0.020 . 1 . . . . 43 LEU H . 26776 1 451 . 1 1 54 54 LEU HA H 1 4.394 0.020 . 1 . . . . 43 LEU HA . 26776 1 452 . 1 1 54 54 LEU HB2 H 1 1.731 0.020 . 2 . . . . 43 LEU HB2 . 26776 1 453 . 1 1 54 54 LEU HB3 H 1 1.465 0.020 . 2 . . . . 43 LEU HB3 . 26776 1 454 . 1 1 54 54 LEU HG H 1 1.825 0.020 . 1 . . . . 43 LEU HG . 26776 1 455 . 1 1 54 54 LEU HD11 H 1 0.576 0.020 . 2 . . . . 43 LEU HD11 . 26776 1 456 . 1 1 54 54 LEU HD12 H 1 0.576 0.020 . 2 . . . . 43 LEU HD12 . 26776 1 457 . 1 1 54 54 LEU HD13 H 1 0.576 0.020 . 2 . . . . 43 LEU HD13 . 26776 1 458 . 1 1 54 54 LEU HD21 H 1 0.485 0.020 . 2 . . . . 43 LEU HD21 . 26776 1 459 . 1 1 54 54 LEU HD22 H 1 0.485 0.020 . 2 . . . . 43 LEU HD22 . 26776 1 460 . 1 1 54 54 LEU HD23 H 1 0.485 0.020 . 2 . . . . 43 LEU HD23 . 26776 1 461 . 1 1 54 54 LEU C C 13 178.237 0.200 . 1 . . . . 43 LEU C . 26776 1 462 . 1 1 54 54 LEU CA C 13 54.881 0.200 . 1 . . . . 43 LEU CA . 26776 1 463 . 1 1 54 54 LEU CB C 13 42.053 0.200 . 1 . . . . 43 LEU CB . 26776 1 464 . 1 1 54 54 LEU CG C 13 26.132 0.200 . 1 . . . . 43 LEU CG . 26776 1 465 . 1 1 54 54 LEU CD1 C 13 21.816 0.200 . 2 . . . . 43 LEU CD1 . 26776 1 466 . 1 1 54 54 LEU CD2 C 13 24.581 0.200 . 2 . . . . 43 LEU CD2 . 26776 1 467 . 1 1 54 54 LEU N N 15 111.434 0.200 . 1 . . . . 43 LEU N . 26776 1 468 . 1 1 55 55 SER H H 1 7.723 0.020 . 1 . . . . 44 SER H . 26776 1 469 . 1 1 55 55 SER HA H 1 4.572 0.020 . 1 . . . . 44 SER HA . 26776 1 470 . 1 1 55 55 SER HB2 H 1 3.900 0.020 . 2 . . . . 44 SER HB2 . 26776 1 471 . 1 1 55 55 SER HB3 H 1 4.004 0.020 . 2 . . . . 44 SER HB3 . 26776 1 472 . 1 1 55 55 SER C C 13 173.688 0.200 . 1 . . . . 44 SER C . 26776 1 473 . 1 1 55 55 SER CA C 13 59.474 0.200 . 1 . . . . 44 SER CA . 26776 1 474 . 1 1 55 55 SER CB C 13 65.148 0.200 . 1 . . . . 44 SER CB . 26776 1 475 . 1 1 55 55 SER N N 15 113.349 0.200 . 1 . . . . 44 SER N . 26776 1 476 . 1 1 56 56 GLU H H 1 8.018 0.020 . 1 . . . . 45 GLU H . 26776 1 477 . 1 1 56 56 GLU HA H 1 4.857 0.020 . 1 . . . . 45 GLU HA . 26776 1 478 . 1 1 56 56 GLU HB2 H 1 1.898 0.020 . 2 . . . . 45 GLU HB2 . 26776 1 479 . 1 1 56 56 GLU HB3 H 1 1.838 0.020 . 2 . . . . 45 GLU HB3 . 26776 1 480 . 1 1 56 56 GLU HG2 H 1 2.235 0.020 . 2 . . . . 45 GLU HG2 . 26776 1 481 . 1 1 56 56 GLU HG3 H 1 2.013 0.020 . 2 . . . . 45 GLU HG3 . 26776 1 482 . 1 1 56 56 GLU C C 13 173.651 0.200 . 1 . . . . 45 GLU C . 26776 1 483 . 1 1 56 56 GLU CA C 13 53.584 0.200 . 1 . . . . 45 GLU CA . 26776 1 484 . 1 1 56 56 GLU CB C 13 30.785 0.200 . 1 . . . . 45 GLU CB . 26776 1 485 . 1 1 56 56 GLU CG C 13 35.242 0.200 . 1 . . . . 45 GLU CG . 26776 1 486 . 1 1 56 56 GLU N N 15 122.179 0.200 . 1 . . . . 45 GLU N . 26776 1 487 . 1 1 57 57 PRO HA H 1 4.539 0.020 . 1 . . . . 46 PRO HA . 26776 1 488 . 1 1 57 57 PRO HB2 H 1 2.013 0.020 . 2 . . . . 46 PRO HB2 . 26776 1 489 . 1 1 57 57 PRO HB3 H 1 2.086 0.020 . 2 . . . . 46 PRO HB3 . 26776 1 490 . 1 1 57 57 PRO HG2 H 1 2.009 0.020 . 1 . . . . 46 PRO HG2 . 26776 1 491 . 1 1 57 57 PRO HG3 H 1 2.009 0.020 . 1 . . . . 46 PRO HG3 . 26776 1 492 . 1 1 57 57 PRO HD2 H 1 3.704 0.020 . 1 . . . . 46 PRO HD2 . 26776 1 493 . 1 1 57 57 PRO HD3 H 1 3.704 0.020 . 1 . . . . 46 PRO HD3 . 26776 1 494 . 1 1 57 57 PRO C C 13 176.014 0.200 . 1 . . . . 46 PRO C . 26776 1 495 . 1 1 57 57 PRO CA C 13 62.921 0.200 . 1 . . . . 46 PRO CA . 26776 1 496 . 1 1 57 57 PRO CB C 13 30.151 0.200 . 1 . . . . 46 PRO CB . 26776 1 497 . 1 1 57 57 PRO CG C 13 27.446 0.200 . 1 . . . . 46 PRO CG . 26776 1 498 . 1 1 57 57 PRO CD C 13 50.151 0.200 . 1 . . . . 46 PRO CD . 26776 1 499 . 1 1 58 58 VAL H H 1 7.962 0.020 . 1 . . . . 47 VAL H . 26776 1 500 . 1 1 58 58 VAL HA H 1 4.031 0.020 . 1 . . . . 47 VAL HA . 26776 1 501 . 1 1 58 58 VAL HB H 1 1.991 0.020 . 1 . . . . 47 VAL HB . 26776 1 502 . 1 1 58 58 VAL HG11 H 1 0.800 0.020 . 2 . . . . 47 VAL HG11 . 26776 1 503 . 1 1 58 58 VAL HG12 H 1 0.800 0.020 . 2 . . . . 47 VAL HG12 . 26776 1 504 . 1 1 58 58 VAL HG13 H 1 0.800 0.020 . 2 . . . . 47 VAL HG13 . 26776 1 505 . 1 1 58 58 VAL HG21 H 1 0.796 0.020 . 2 . . . . 47 VAL HG21 . 26776 1 506 . 1 1 58 58 VAL HG22 H 1 0.796 0.020 . 2 . . . . 47 VAL HG22 . 26776 1 507 . 1 1 58 58 VAL HG23 H 1 0.796 0.020 . 2 . . . . 47 VAL HG23 . 26776 1 508 . 1 1 58 58 VAL C C 13 174.250 0.200 . 1 . . . . 47 VAL C . 26776 1 509 . 1 1 58 58 VAL CA C 13 60.918 0.200 . 1 . . . . 47 VAL CA . 26776 1 510 . 1 1 58 58 VAL CB C 13 34.516 0.200 . 1 . . . . 47 VAL CB . 26776 1 511 . 1 1 58 58 VAL CG1 C 13 22.831 0.200 . 2 . . . . 47 VAL CG1 . 26776 1 512 . 1 1 58 58 VAL CG2 C 13 20.236 0.200 . 2 . . . . 47 VAL CG2 . 26776 1 513 . 1 1 58 58 VAL N N 15 119.195 0.200 . 1 . . . . 47 VAL N . 26776 1 514 . 1 1 59 59 ASP H H 1 9.161 0.020 . 1 . . . . 48 ASP H . 26776 1 515 . 1 1 59 59 ASP HA H 1 4.949 0.020 . 1 . . . . 48 ASP HA . 26776 1 516 . 1 1 59 59 ASP HB2 H 1 2.675 0.020 . 2 . . . . 48 ASP HB2 . 26776 1 517 . 1 1 59 59 ASP HB3 H 1 2.767 0.020 . 2 . . . . 48 ASP HB3 . 26776 1 518 . 1 1 59 59 ASP C C 13 175.235 0.200 . 1 . . . . 48 ASP C . 26776 1 519 . 1 1 59 59 ASP CA C 13 55.766 0.200 . 1 . . . . 48 ASP CA . 26776 1 520 . 1 1 59 59 ASP CB C 13 43.573 0.200 . 1 . . . . 48 ASP CB . 26776 1 521 . 1 1 59 59 ASP N N 15 121.308 0.200 . 1 . . . . 48 ASP N . 26776 1 522 . 1 1 60 60 ALA H H 1 7.720 0.020 . 1 . . . . 49 ALA H . 26776 1 523 . 1 1 60 60 ALA HA H 1 4.791 0.020 . 1 . . . . 49 ALA HA . 26776 1 524 . 1 1 60 60 ALA HB1 H 1 1.212 0.020 . 1 . . . . 49 ALA HB1 . 26776 1 525 . 1 1 60 60 ALA HB2 H 1 1.212 0.020 . 1 . . . . 49 ALA HB2 . 26776 1 526 . 1 1 60 60 ALA HB3 H 1 1.212 0.020 . 1 . . . . 49 ALA HB3 . 26776 1 527 . 1 1 60 60 ALA C C 13 174.267 0.200 . 1 . . . . 49 ALA C . 26776 1 528 . 1 1 60 60 ALA CA C 13 51.231 0.200 . 1 . . . . 49 ALA CA . 26776 1 529 . 1 1 60 60 ALA CB C 13 22.623 0.200 . 1 . . . . 49 ALA CB . 26776 1 530 . 1 1 60 60 ALA N N 15 116.368 0.200 . 1 . . . . 49 ALA N . 26776 1 531 . 1 1 61 61 ILE H H 1 8.402 0.020 . 1 . . . . 50 ILE H . 26776 1 532 . 1 1 61 61 ILE HA H 1 4.828 0.020 . 1 . . . . 50 ILE HA . 26776 1 533 . 1 1 61 61 ILE HB H 1 1.478 0.020 . 1 . . . . 50 ILE HB . 26776 1 534 . 1 1 61 61 ILE HG12 H 1 1.269 0.020 . 2 . . . . 50 ILE HG12 . 26776 1 535 . 1 1 61 61 ILE HG13 H 1 0.825 0.020 . 2 . . . . 50 ILE HG13 . 26776 1 536 . 1 1 61 61 ILE HG21 H 1 0.597 0.020 . 1 . . . . 50 ILE HG21 . 26776 1 537 . 1 1 61 61 ILE HG22 H 1 0.597 0.020 . 1 . . . . 50 ILE HG22 . 26776 1 538 . 1 1 61 61 ILE HG23 H 1 0.597 0.020 . 1 . . . . 50 ILE HG23 . 26776 1 539 . 1 1 61 61 ILE HD11 H 1 0.291 0.020 . 1 . . . . 50 ILE HD11 . 26776 1 540 . 1 1 61 61 ILE HD12 H 1 0.291 0.020 . 1 . . . . 50 ILE HD12 . 26776 1 541 . 1 1 61 61 ILE HD13 H 1 0.291 0.020 . 1 . . . . 50 ILE HD13 . 26776 1 542 . 1 1 61 61 ILE C C 13 173.564 0.200 . 1 . . . . 50 ILE C . 26776 1 543 . 1 1 61 61 ILE CA C 13 60.182 0.200 . 1 . . . . 50 ILE CA . 26776 1 544 . 1 1 61 61 ILE CB C 13 42.377 0.200 . 1 . . . . 50 ILE CB . 26776 1 545 . 1 1 61 61 ILE CG1 C 13 28.543 0.200 . 1 . . . . 50 ILE CG1 . 26776 1 546 . 1 1 61 61 ILE CG2 C 13 17.355 0.200 . 1 . . . . 50 ILE CG2 . 26776 1 547 . 1 1 61 61 ILE CD1 C 13 14.529 0.200 . 1 . . . . 50 ILE CD1 . 26776 1 548 . 1 1 61 61 ILE N N 15 119.667 0.200 . 1 . . . . 50 ILE N . 26776 1 549 . 1 1 62 62 ILE H H 1 9.063 0.020 . 1 . . . . 51 ILE H . 26776 1 550 . 1 1 62 62 ILE HA H 1 4.960 0.020 . 1 . . . . 51 ILE HA . 26776 1 551 . 1 1 62 62 ILE HB H 1 1.384 0.020 . 1 . . . . 51 ILE HB . 26776 1 552 . 1 1 62 62 ILE HG12 H 1 1.206 0.020 . 2 . . . . 51 ILE HG12 . 26776 1 553 . 1 1 62 62 ILE HG13 H 1 0.635 0.020 . 2 . . . . 51 ILE HG13 . 26776 1 554 . 1 1 62 62 ILE HG21 H 1 0.577 0.020 . 1 . . . . 51 ILE HG21 . 26776 1 555 . 1 1 62 62 ILE HG22 H 1 0.577 0.020 . 1 . . . . 51 ILE HG22 . 26776 1 556 . 1 1 62 62 ILE HG23 H 1 0.577 0.020 . 1 . . . . 51 ILE HG23 . 26776 1 557 . 1 1 62 62 ILE HD11 H 1 0.500 0.020 . 1 . . . . 51 ILE HD11 . 26776 1 558 . 1 1 62 62 ILE HD12 H 1 0.500 0.020 . 1 . . . . 51 ILE HD12 . 26776 1 559 . 1 1 62 62 ILE HD13 H 1 0.500 0.020 . 1 . . . . 51 ILE HD13 . 26776 1 560 . 1 1 62 62 ILE C C 13 174.118 0.200 . 1 . . . . 51 ILE C . 26776 1 561 . 1 1 62 62 ILE CA C 13 59.217 0.200 . 1 . . . . 51 ILE CA . 26776 1 562 . 1 1 62 62 ILE CB C 13 40.071 0.200 . 1 . . . . 51 ILE CB . 26776 1 563 . 1 1 62 62 ILE CG1 C 13 26.655 0.200 . 1 . . . . 51 ILE CG1 . 26776 1 564 . 1 1 62 62 ILE CG2 C 13 16.970 0.200 . 1 . . . . 51 ILE CG2 . 26776 1 565 . 1 1 62 62 ILE CD1 C 13 15.020 0.200 . 1 . . . . 51 ILE CD1 . 26776 1 566 . 1 1 62 62 ILE N N 15 127.253 0.200 . 1 . . . . 51 ILE N . 26776 1 567 . 1 1 63 63 THR H H 1 8.768 0.020 . 1 . . . . 52 THR H . 26776 1 568 . 1 1 63 63 THR HA H 1 5.407 0.020 . 1 . . . . 52 THR HA . 26776 1 569 . 1 1 63 63 THR HB H 1 3.244 0.020 . 1 . . . . 52 THR HB . 26776 1 570 . 1 1 63 63 THR HG21 H 1 0.010 0.020 . 1 . . . . 52 THR HG21 . 26776 1 571 . 1 1 63 63 THR HG22 H 1 0.010 0.020 . 1 . . . . 52 THR HG22 . 26776 1 572 . 1 1 63 63 THR HG23 H 1 0.010 0.020 . 1 . . . . 52 THR HG23 . 26776 1 573 . 1 1 63 63 THR C C 13 170.090 0.200 . 1 . . . . 52 THR C . 26776 1 574 . 1 1 63 63 THR CA C 13 58.486 0.200 . 1 . . . . 52 THR CA . 26776 1 575 . 1 1 63 63 THR CB C 13 71.040 0.200 . 1 . . . . 52 THR CB . 26776 1 576 . 1 1 63 63 THR CG2 C 13 17.838 0.200 . 1 . . . . 52 THR CG2 . 26776 1 577 . 1 1 63 63 THR N N 15 120.423 0.200 . 1 . . . . 52 THR N . 26776 1 578 . 1 1 64 64 ASP H H 1 8.073 0.020 . 1 . . . . 53 ASP H . 26776 1 579 . 1 1 64 64 ASP HA H 1 5.467 0.020 . 1 . . . . 53 ASP HA . 26776 1 580 . 1 1 64 64 ASP HB2 H 1 3.103 0.020 . 2 . . . . 53 ASP HB2 . 26776 1 581 . 1 1 64 64 ASP HB3 H 1 3.693 0.020 . 2 . . . . 53 ASP HB3 . 26776 1 582 . 1 1 64 64 ASP C C 13 175.839 0.200 . 1 . . . . 53 ASP C . 26776 1 583 . 1 1 64 64 ASP CA C 13 51.964 0.200 . 1 . . . . 53 ASP CA . 26776 1 584 . 1 1 64 64 ASP CB C 13 44.018 0.200 . 1 . . . . 53 ASP CB . 26776 1 585 . 1 1 64 64 ASP N N 15 126.796 0.200 . 1 . . . . 53 ASP N . 26776 1 586 . 1 1 65 65 GLN H H 1 7.658 0.020 . 1 . . . . 54 GLN H . 26776 1 587 . 1 1 65 65 GLN HA H 1 5.619 0.020 . 1 . . . . 54 GLN HA . 26776 1 588 . 1 1 65 65 GLN HB2 H 1 2.130 0.020 . 2 . . . . 54 GLN HB2 . 26776 1 589 . 1 1 65 65 GLN HB3 H 1 2.358 0.020 . 2 . . . . 54 GLN HB3 . 26776 1 590 . 1 1 65 65 GLN HG2 H 1 2.616 0.020 . 2 . . . . 54 GLN HG2 . 26776 1 591 . 1 1 65 65 GLN HG3 H 1 2.806 0.020 . 2 . . . . 54 GLN HG3 . 26776 1 592 . 1 1 65 65 GLN HE21 H 1 7.340 0.020 . 1 . . . . 54 GLN HE21 . 26776 1 593 . 1 1 65 65 GLN HE22 H 1 6.889 0.020 . 1 . . . . 54 GLN HE22 . 26776 1 594 . 1 1 65 65 GLN C C 13 176.150 0.200 . 1 . . . . 54 GLN C . 26776 1 595 . 1 1 65 65 GLN CA C 13 55.926 0.200 . 1 . . . . 54 GLN CA . 26776 1 596 . 1 1 65 65 GLN CB C 13 28.484 0.200 . 1 . . . . 54 GLN CB . 26776 1 597 . 1 1 65 65 GLN CG C 13 31.861 0.200 . 1 . . . . 54 GLN CG . 26776 1 598 . 1 1 65 65 GLN N N 15 118.074 0.200 . 1 . . . . 54 GLN N . 26776 1 599 . 1 1 65 65 GLN NE2 N 15 107.614 0.200 . 1 . . . . 54 GLN NE2 . 26776 1 600 . 1 1 66 66 ASN H H 1 8.873 0.020 . 1 . . . . 55 ASN H . 26776 1 601 . 1 1 66 66 ASN HA H 1 4.856 0.020 . 1 . . . . 55 ASN HA . 26776 1 602 . 1 1 66 66 ASN HB2 H 1 3.260 0.020 . 2 . . . . 55 ASN HB2 . 26776 1 603 . 1 1 66 66 ASN HB3 H 1 2.809 0.020 . 2 . . . . 55 ASN HB3 . 26776 1 604 . 1 1 66 66 ASN HD21 H 1 7.711 0.020 . 1 . . . . 55 ASN HD21 . 26776 1 605 . 1 1 66 66 ASN HD22 H 1 7.435 0.020 . 1 . . . . 55 ASN HD22 . 26776 1 606 . 1 1 66 66 ASN C C 13 171.900 0.200 . 1 . . . . 55 ASN C . 26776 1 607 . 1 1 66 66 ASN CA C 13 54.629 0.200 . 1 . . . . 55 ASN CA . 26776 1 608 . 1 1 66 66 ASN CB C 13 37.237 0.200 . 1 . . . . 55 ASN CB . 26776 1 609 . 1 1 66 66 ASN N N 15 116.454 0.200 . 1 . . . . 55 ASN N . 26776 1 610 . 1 1 66 66 ASN ND2 N 15 115.415 0.200 . 1 . . . . 55 ASN ND2 . 26776 1 611 . 1 1 67 67 MET H H 1 7.641 0.020 . 1 . . . . 56 MET H . 26776 1 612 . 1 1 67 67 MET HA H 1 4.711 0.020 . 1 . . . . 56 MET HA . 26776 1 613 . 1 1 67 67 MET HB2 H 1 2.203 0.020 . 2 . . . . 56 MET HB2 . 26776 1 614 . 1 1 67 67 MET HB3 H 1 1.981 0.020 . 2 . . . . 56 MET HB3 . 26776 1 615 . 1 1 67 67 MET HG2 H 1 2.909 0.020 . 1 . . . . 56 MET HG2 . 26776 1 616 . 1 1 67 67 MET HG3 H 1 2.909 0.020 . 1 . . . . 56 MET HG3 . 26776 1 617 . 1 1 67 67 MET C C 13 171.241 0.200 . 1 . . . . 56 MET C . 26776 1 618 . 1 1 67 67 MET CA C 13 53.957 0.200 . 1 . . . . 56 MET CA . 26776 1 619 . 1 1 67 67 MET CB C 13 37.178 0.200 . 1 . . . . 56 MET CB . 26776 1 620 . 1 1 67 67 MET CG C 13 33.222 0.200 . 1 . . . . 56 MET CG . 26776 1 621 . 1 1 67 67 MET N N 15 129.107 0.200 . 1 . . . . 56 MET N . 26776 1 622 . 1 1 68 68 PRO HA H 1 4.433 0.020 . 1 . . . . 57 PRO HA . 26776 1 623 . 1 1 68 68 PRO HB2 H 1 2.346 0.020 . 2 . . . . 57 PRO HB2 . 26776 1 624 . 1 1 68 68 PRO HB3 H 1 1.923 0.020 . 2 . . . . 57 PRO HB3 . 26776 1 625 . 1 1 68 68 PRO HG2 H 1 2.140 0.020 . 1 . . . . 57 PRO HG2 . 26776 1 626 . 1 1 68 68 PRO HG3 H 1 2.140 0.020 . 1 . . . . 57 PRO HG3 . 26776 1 627 . 1 1 68 68 PRO HD2 H 1 3.597 0.020 . 1 . . . . 57 PRO HD2 . 26776 1 628 . 1 1 68 68 PRO HD3 H 1 3.597 0.020 . 1 . . . . 57 PRO HD3 . 26776 1 629 . 1 1 68 68 PRO C C 13 176.676 0.200 . 1 . . . . 57 PRO C . 26776 1 630 . 1 1 68 68 PRO CA C 13 62.303 0.200 . 1 . . . . 57 PRO CA . 26776 1 631 . 1 1 68 68 PRO CB C 13 32.781 0.200 . 1 . . . . 57 PRO CB . 26776 1 632 . 1 1 68 68 PRO CG C 13 26.941 0.200 . 1 . . . . 57 PRO CG . 26776 1 633 . 1 1 68 68 PRO CD C 13 50.216 0.200 . 1 . . . . 57 PRO CD . 26776 1 634 . 1 1 69 69 ASN H H 1 8.690 0.020 . 1 . . . . 58 ASN H . 26776 1 635 . 1 1 69 69 ASN HA H 1 4.049 0.020 . 1 . . . . 58 ASN HA . 26776 1 636 . 1 1 69 69 ASN HB2 H 1 3.271 0.020 . 2 . . . . 58 ASN HB2 . 26776 1 637 . 1 1 69 69 ASN HB3 H 1 2.455 0.020 . 2 . . . . 58 ASN HB3 . 26776 1 638 . 1 1 69 69 ASN HD21 H 1 7.912 0.020 . 1 . . . . 58 ASN HD21 . 26776 1 639 . 1 1 69 69 ASN HD22 H 1 7.144 0.020 . 1 . . . . 58 ASN HD22 . 26776 1 640 . 1 1 69 69 ASN C C 13 175.832 0.200 . 1 . . . . 58 ASN C . 26776 1 641 . 1 1 69 69 ASN CA C 13 59.167 0.200 . 1 . . . . 58 ASN CA . 26776 1 642 . 1 1 69 69 ASN CB C 13 37.581 0.200 . 1 . . . . 58 ASN CB . 26776 1 643 . 1 1 69 69 ASN N N 15 111.705 0.200 . 1 . . . . 58 ASN N . 26776 1 644 . 1 1 69 69 ASN ND2 N 15 116.999 0.200 . 1 . . . . 58 ASN ND2 . 26776 1 645 . 1 1 70 70 LEU H H 1 9.332 0.020 . 1 . . . . 59 LEU H . 26776 1 646 . 1 1 70 70 LEU HA H 1 4.442 0.020 . 1 . . . . 59 LEU HA . 26776 1 647 . 1 1 70 70 LEU HB2 H 1 1.559 0.020 . 2 . . . . 59 LEU HB2 . 26776 1 648 . 1 1 70 70 LEU HB3 H 1 1.325 0.020 . 2 . . . . 59 LEU HB3 . 26776 1 649 . 1 1 70 70 LEU HG H 1 1.896 0.020 . 1 . . . . 59 LEU HG . 26776 1 650 . 1 1 70 70 LEU HD11 H 1 1.015 0.020 . 2 . . . . 59 LEU HD11 . 26776 1 651 . 1 1 70 70 LEU HD12 H 1 1.015 0.020 . 2 . . . . 59 LEU HD12 . 26776 1 652 . 1 1 70 70 LEU HD13 H 1 1.015 0.020 . 2 . . . . 59 LEU HD13 . 26776 1 653 . 1 1 70 70 LEU HD21 H 1 0.718 0.020 . 2 . . . . 59 LEU HD21 . 26776 1 654 . 1 1 70 70 LEU HD22 H 1 0.718 0.020 . 2 . . . . 59 LEU HD22 . 26776 1 655 . 1 1 70 70 LEU HD23 H 1 0.718 0.020 . 2 . . . . 59 LEU HD23 . 26776 1 656 . 1 1 70 70 LEU C C 13 173.824 0.200 . 1 . . . . 59 LEU C . 26776 1 657 . 1 1 70 70 LEU CA C 13 56.067 0.200 . 1 . . . . 59 LEU CA . 26776 1 658 . 1 1 70 70 LEU CB C 13 44.402 0.200 . 1 . . . . 59 LEU CB . 26776 1 659 . 1 1 70 70 LEU CG C 13 26.541 0.200 . 1 . . . . 59 LEU CG . 26776 1 660 . 1 1 70 70 LEU CD1 C 13 23.609 0.200 . 2 . . . . 59 LEU CD1 . 26776 1 661 . 1 1 70 70 LEU CD2 C 13 24.965 0.200 . 2 . . . . 59 LEU CD2 . 26776 1 662 . 1 1 70 70 LEU N N 15 125.587 0.200 . 1 . . . . 59 LEU N . 26776 1 663 . 1 1 71 71 ASP H H 1 8.195 0.020 . 1 . . . . 60 ASP H . 26776 1 664 . 1 1 71 71 ASP HA H 1 4.582 0.020 . 1 . . . . 60 ASP HA . 26776 1 665 . 1 1 71 71 ASP HB2 H 1 3.588 0.020 . 2 . . . . 60 ASP HB2 . 26776 1 666 . 1 1 71 71 ASP HB3 H 1 2.941 0.020 . 2 . . . . 60 ASP HB3 . 26776 1 667 . 1 1 71 71 ASP C C 13 175.009 0.200 . 1 . . . . 60 ASP C . 26776 1 668 . 1 1 71 71 ASP CA C 13 52.938 0.200 . 1 . . . . 60 ASP CA . 26776 1 669 . 1 1 71 71 ASP CB C 13 40.742 0.200 . 1 . . . . 60 ASP CB . 26776 1 670 . 1 1 71 71 ASP N N 15 124.965 0.200 . 1 . . . . 60 ASP N . 26776 1 671 . 1 1 72 72 GLY H H 1 9.649 0.020 . 1 . . . . 61 GLY H . 26776 1 672 . 1 1 72 72 GLY HA2 H 1 4.813 0.020 . 2 . . . . 61 GLY HA2 . 26776 1 673 . 1 1 72 72 GLY HA3 H 1 3.846 0.020 . 2 . . . . 61 GLY HA3 . 26776 1 674 . 1 1 72 72 GLY C C 13 176.737 0.200 . 1 . . . . 61 GLY C . 26776 1 675 . 1 1 72 72 GLY CA C 13 48.624 0.200 . 1 . . . . 61 GLY CA . 26776 1 676 . 1 1 72 72 GLY N N 15 109.500 0.200 . 1 . . . . 61 GLY N . 26776 1 677 . 1 1 73 73 LEU H H 1 9.392 0.020 . 1 . . . . 62 LEU H . 26776 1 678 . 1 1 73 73 LEU HA H 1 4.201 0.020 . 1 . . . . 62 LEU HA . 26776 1 679 . 1 1 73 73 LEU HB2 H 1 1.381 0.020 . 2 . . . . 62 LEU HB2 . 26776 1 680 . 1 1 73 73 LEU HB3 H 1 1.980 0.020 . 2 . . . . 62 LEU HB3 . 26776 1 681 . 1 1 73 73 LEU HG H 1 1.837 0.020 . 1 . . . . 62 LEU HG . 26776 1 682 . 1 1 73 73 LEU HD11 H 1 0.881 0.020 . 2 . . . . 62 LEU HD11 . 26776 1 683 . 1 1 73 73 LEU HD12 H 1 0.881 0.020 . 2 . . . . 62 LEU HD12 . 26776 1 684 . 1 1 73 73 LEU HD13 H 1 0.881 0.020 . 2 . . . . 62 LEU HD13 . 26776 1 685 . 1 1 73 73 LEU HD21 H 1 0.640 0.020 . 2 . . . . 62 LEU HD21 . 26776 1 686 . 1 1 73 73 LEU HD22 H 1 0.640 0.020 . 2 . . . . 62 LEU HD22 . 26776 1 687 . 1 1 73 73 LEU HD23 H 1 0.640 0.020 . 2 . . . . 62 LEU HD23 . 26776 1 688 . 1 1 73 73 LEU C C 13 178.870 0.200 . 1 . . . . 62 LEU C . 26776 1 689 . 1 1 73 73 LEU CA C 13 58.821 0.200 . 1 . . . . 62 LEU CA . 26776 1 690 . 1 1 73 73 LEU CB C 13 41.781 0.200 . 1 . . . . 62 LEU CB . 26776 1 691 . 1 1 73 73 LEU CG C 13 27.127 0.200 . 1 . . . . 62 LEU CG . 26776 1 692 . 1 1 73 73 LEU CD1 C 13 25.654 0.200 . 2 . . . . 62 LEU CD1 . 26776 1 693 . 1 1 73 73 LEU CD2 C 13 23.137 0.200 . 2 . . . . 62 LEU CD2 . 26776 1 694 . 1 1 73 73 LEU N N 15 123.050 0.200 . 1 . . . . 62 LEU N . 26776 1 695 . 1 1 74 74 GLY H H 1 8.557 0.020 . 1 . . . . 63 GLY H . 26776 1 696 . 1 1 74 74 GLY HA2 H 1 3.804 0.020 . 2 . . . . 63 GLY HA2 . 26776 1 697 . 1 1 74 74 GLY HA3 H 1 3.864 0.020 . 2 . . . . 63 GLY HA3 . 26776 1 698 . 1 1 74 74 GLY C C 13 177.175 0.200 . 1 . . . . 63 GLY C . 26776 1 699 . 1 1 74 74 GLY CA C 13 47.440 0.200 . 1 . . . . 63 GLY CA . 26776 1 700 . 1 1 74 74 GLY N N 15 108.305 0.200 . 1 . . . . 63 GLY N . 26776 1 701 . 1 1 75 75 PHE H H 1 8.814 0.020 . 1 . . . . 64 PHE H . 26776 1 702 . 1 1 75 75 PHE HA H 1 4.622 0.020 . 1 . . . . 64 PHE HA . 26776 1 703 . 1 1 75 75 PHE HB2 H 1 3.671 0.020 . 2 . . . . 64 PHE HB2 . 26776 1 704 . 1 1 75 75 PHE HB3 H 1 3.411 0.020 . 2 . . . . 64 PHE HB3 . 26776 1 705 . 1 1 75 75 PHE HD1 H 1 7.243 0.020 . 3 . . . . 64 PHE HD1 . 26776 1 706 . 1 1 75 75 PHE HD2 H 1 7.243 0.020 . 3 . . . . 64 PHE HD2 . 26776 1 707 . 1 1 75 75 PHE HE1 H 1 6.619 0.020 . 3 . . . . 64 PHE HE1 . 26776 1 708 . 1 1 75 75 PHE HE2 H 1 6.619 0.020 . 3 . . . . 64 PHE HE2 . 26776 1 709 . 1 1 75 75 PHE HZ H 1 6.419 0.020 . 1 . . . . 64 PHE HZ . 26776 1 710 . 1 1 75 75 PHE C C 13 176.176 0.200 . 1 . . . . 64 PHE C . 26776 1 711 . 1 1 75 75 PHE CA C 13 58.864 0.200 . 1 . . . . 64 PHE CA . 26776 1 712 . 1 1 75 75 PHE CB C 13 38.013 0.200 . 1 . . . . 64 PHE CB . 26776 1 713 . 1 1 75 75 PHE CD1 C 13 131.765 0.200 . 3 . . . . 64 PHE CD1 . 26776 1 714 . 1 1 75 75 PHE CD2 C 13 131.765 0.200 . 3 . . . . 64 PHE CD2 . 26776 1 715 . 1 1 75 75 PHE CE1 C 13 129.569 0.200 . 3 . . . . 64 PHE CE1 . 26776 1 716 . 1 1 75 75 PHE CE2 C 13 129.569 0.200 . 3 . . . . 64 PHE CE2 . 26776 1 717 . 1 1 75 75 PHE CZ C 13 127.607 0.200 . 1 . . . . 64 PHE CZ . 26776 1 718 . 1 1 75 75 PHE N N 15 126.170 0.200 . 1 . . . . 64 PHE N . 26776 1 719 . 1 1 76 76 ILE H H 1 8.903 0.020 . 1 . . . . 65 ILE H . 26776 1 720 . 1 1 76 76 ILE HA H 1 3.482 0.020 . 1 . . . . 65 ILE HA . 26776 1 721 . 1 1 76 76 ILE HB H 1 2.145 0.020 . 1 . . . . 65 ILE HB . 26776 1 722 . 1 1 76 76 ILE HG12 H 1 1.176 0.020 . 2 . . . . 65 ILE HG12 . 26776 1 723 . 1 1 76 76 ILE HG13 H 1 1.648 0.020 . 2 . . . . 65 ILE HG13 . 26776 1 724 . 1 1 76 76 ILE HG21 H 1 0.969 0.020 . 1 . . . . 65 ILE HG21 . 26776 1 725 . 1 1 76 76 ILE HG22 H 1 0.969 0.020 . 1 . . . . 65 ILE HG22 . 26776 1 726 . 1 1 76 76 ILE HG23 H 1 0.969 0.020 . 1 . . . . 65 ILE HG23 . 26776 1 727 . 1 1 76 76 ILE HD11 H 1 -0.007 0.020 . 1 . . . . 65 ILE HD11 . 26776 1 728 . 1 1 76 76 ILE HD12 H 1 -0.007 0.020 . 1 . . . . 65 ILE HD12 . 26776 1 729 . 1 1 76 76 ILE HD13 H 1 -0.007 0.020 . 1 . . . . 65 ILE HD13 . 26776 1 730 . 1 1 76 76 ILE C C 13 178.131 0.200 . 1 . . . . 65 ILE C . 26776 1 731 . 1 1 76 76 ILE CA C 13 62.804 0.200 . 1 . . . . 65 ILE CA . 26776 1 732 . 1 1 76 76 ILE CB C 13 35.311 0.200 . 1 . . . . 65 ILE CB . 26776 1 733 . 1 1 76 76 ILE CG1 C 13 27.548 0.200 . 1 . . . . 65 ILE CG1 . 26776 1 734 . 1 1 76 76 ILE CG2 C 13 18.945 0.200 . 1 . . . . 65 ILE CG2 . 26776 1 735 . 1 1 76 76 ILE CD1 C 13 9.762 0.200 . 1 . . . . 65 ILE CD1 . 26776 1 736 . 1 1 76 76 ILE N N 15 120.267 0.200 . 1 . . . . 65 ILE N . 26776 1 737 . 1 1 77 77 ARG H H 1 8.825 0.020 . 1 . . . . 66 ARG H . 26776 1 738 . 1 1 77 77 ARG HA H 1 4.005 0.020 . 1 . . . . 66 ARG HA . 26776 1 739 . 1 1 77 77 ARG HB2 H 1 1.934 0.020 . 1 . . . . 66 ARG HB2 . 26776 1 740 . 1 1 77 77 ARG HB3 H 1 1.934 0.020 . 1 . . . . 66 ARG HB3 . 26776 1 741 . 1 1 77 77 ARG HG2 H 1 1.644 0.020 . 1 . . . . 66 ARG HG2 . 26776 1 742 . 1 1 77 77 ARG HG3 H 1 1.644 0.020 . 1 . . . . 66 ARG HG3 . 26776 1 743 . 1 1 77 77 ARG HD2 H 1 3.198 0.020 . 2 . . . . 66 ARG HD2 . 26776 1 744 . 1 1 77 77 ARG HD3 H 1 3.160 0.020 . 2 . . . . 66 ARG HD3 . 26776 1 745 . 1 1 77 77 ARG C C 13 179.199 0.200 . 1 . . . . 66 ARG C . 26776 1 746 . 1 1 77 77 ARG CA C 13 60.427 0.200 . 1 . . . . 66 ARG CA . 26776 1 747 . 1 1 77 77 ARG CB C 13 30.313 0.200 . 1 . . . . 66 ARG CB . 26776 1 748 . 1 1 77 77 ARG CG C 13 28.979 0.200 . 1 . . . . 66 ARG CG . 26776 1 749 . 1 1 77 77 ARG CD C 13 43.530 0.200 . 1 . . . . 66 ARG CD . 26776 1 750 . 1 1 77 77 ARG N N 15 119.599 0.200 . 1 . . . . 66 ARG N . 26776 1 751 . 1 1 78 78 ALA H H 1 7.780 0.020 . 1 . . . . 67 ALA H . 26776 1 752 . 1 1 78 78 ALA HA H 1 4.341 0.020 . 1 . . . . 67 ALA HA . 26776 1 753 . 1 1 78 78 ALA HB1 H 1 1.721 0.020 . 1 . . . . 67 ALA HB1 . 26776 1 754 . 1 1 78 78 ALA HB2 H 1 1.721 0.020 . 1 . . . . 67 ALA HB2 . 26776 1 755 . 1 1 78 78 ALA HB3 H 1 1.721 0.020 . 1 . . . . 67 ALA HB3 . 26776 1 756 . 1 1 78 78 ALA C C 13 181.250 0.200 . 1 . . . . 67 ALA C . 26776 1 757 . 1 1 78 78 ALA CA C 13 54.856 0.200 . 1 . . . . 67 ALA CA . 26776 1 758 . 1 1 78 78 ALA CB C 13 18.705 0.200 . 1 . . . . 67 ALA CB . 26776 1 759 . 1 1 78 78 ALA N N 15 120.097 0.200 . 1 . . . . 67 ALA N . 26776 1 760 . 1 1 79 79 PHE H H 1 9.204 0.020 . 1 . . . . 68 PHE H . 26776 1 761 . 1 1 79 79 PHE HA H 1 4.353 0.020 . 1 . . . . 68 PHE HA . 26776 1 762 . 1 1 79 79 PHE HB2 H 1 3.016 0.020 . 2 . . . . 68 PHE HB2 . 26776 1 763 . 1 1 79 79 PHE HB3 H 1 3.177 0.020 . 2 . . . . 68 PHE HB3 . 26776 1 764 . 1 1 79 79 PHE HD1 H 1 6.920 0.020 . 3 . . . . 68 PHE HD1 . 26776 1 765 . 1 1 79 79 PHE HD2 H 1 6.920 0.020 . 3 . . . . 68 PHE HD2 . 26776 1 766 . 1 1 79 79 PHE HE1 H 1 6.977 0.020 . 3 . . . . 68 PHE HE1 . 26776 1 767 . 1 1 79 79 PHE HE2 H 1 6.977 0.020 . 3 . . . . 68 PHE HE2 . 26776 1 768 . 1 1 79 79 PHE HZ H 1 6.913 0.020 . 1 . . . . 68 PHE HZ . 26776 1 769 . 1 1 79 79 PHE C C 13 177.426 0.200 . 1 . . . . 68 PHE C . 26776 1 770 . 1 1 79 79 PHE CA C 13 59.954 0.200 . 1 . . . . 68 PHE CA . 26776 1 771 . 1 1 79 79 PHE CB C 13 39.767 0.200 . 1 . . . . 68 PHE CB . 26776 1 772 . 1 1 79 79 PHE CD1 C 13 130.865 0.200 . 3 . . . . 68 PHE CD1 . 26776 1 773 . 1 1 79 79 PHE CD2 C 13 130.865 0.200 . 3 . . . . 68 PHE CD2 . 26776 1 774 . 1 1 79 79 PHE CE1 C 13 131.430 0.200 . 3 . . . . 68 PHE CE1 . 26776 1 775 . 1 1 79 79 PHE CE2 C 13 131.430 0.200 . 3 . . . . 68 PHE CE2 . 26776 1 776 . 1 1 79 79 PHE CZ C 13 129.062 0.200 . 1 . . . . 68 PHE CZ . 26776 1 777 . 1 1 79 79 PHE N N 15 120.793 0.200 . 1 . . . . 68 PHE N . 26776 1 778 . 1 1 80 80 ARG H H 1 8.382 0.020 . 1 . . . . 69 ARG H . 26776 1 779 . 1 1 80 80 ARG HA H 1 4.251 0.020 . 1 . . . . 69 ARG HA . 26776 1 780 . 1 1 80 80 ARG HB2 H 1 1.995 0.020 . 1 . . . . 69 ARG HB2 . 26776 1 781 . 1 1 80 80 ARG HB3 H 1 1.995 0.020 . 1 . . . . 69 ARG HB3 . 26776 1 782 . 1 1 80 80 ARG HG2 H 1 1.956 0.020 . 2 . . . . 69 ARG HG2 . 26776 1 783 . 1 1 80 80 ARG HG3 H 1 1.729 0.020 . 2 . . . . 69 ARG HG3 . 26776 1 784 . 1 1 80 80 ARG HD2 H 1 3.174 0.020 . 2 . . . . 69 ARG HD2 . 26776 1 785 . 1 1 80 80 ARG HD3 H 1 3.256 0.020 . 2 . . . . 69 ARG HD3 . 26776 1 786 . 1 1 80 80 ARG C C 13 176.693 0.200 . 1 . . . . 69 ARG C . 26776 1 787 . 1 1 80 80 ARG CA C 13 56.858 0.200 . 1 . . . . 69 ARG CA . 26776 1 788 . 1 1 80 80 ARG CB C 13 29.033 0.200 . 1 . . . . 69 ARG CB . 26776 1 789 . 1 1 80 80 ARG CG C 13 27.587 0.200 . 1 . . . . 69 ARG CG . 26776 1 790 . 1 1 80 80 ARG CD C 13 42.559 0.200 . 1 . . . . 69 ARG CD . 26776 1 791 . 1 1 80 80 ARG N N 15 115.386 0.200 . 1 . . . . 69 ARG N . 26776 1 792 . 1 1 81 81 GLU H H 1 7.204 0.020 . 1 . . . . 70 GLU H . 26776 1 793 . 1 1 81 81 GLU HA H 1 4.148 0.020 . 1 . . . . 70 GLU HA . 26776 1 794 . 1 1 81 81 GLU HB2 H 1 1.958 0.020 . 2 . . . . 70 GLU HB2 . 26776 1 795 . 1 1 81 81 GLU HB3 H 1 2.072 0.020 . 2 . . . . 70 GLU HB3 . 26776 1 796 . 1 1 81 81 GLU HG2 H 1 2.274 0.020 . 2 . . . . 70 GLU HG2 . 26776 1 797 . 1 1 81 81 GLU HG3 H 1 2.591 0.020 . 2 . . . . 70 GLU HG3 . 26776 1 798 . 1 1 81 81 GLU C C 13 176.834 0.200 . 1 . . . . 70 GLU C . 26776 1 799 . 1 1 81 81 GLU CA C 13 57.053 0.200 . 1 . . . . 70 GLU CA . 26776 1 800 . 1 1 81 81 GLU CB C 13 29.819 0.200 . 1 . . . . 70 GLU CB . 26776 1 801 . 1 1 81 81 GLU CG C 13 36.151 0.200 . 1 . . . . 70 GLU CG . 26776 1 802 . 1 1 81 81 GLU N N 15 116.186 0.200 . 1 . . . . 70 GLU N . 26776 1 803 . 1 1 82 82 HIS H H 1 8.132 0.020 . 1 . . . . 71 HIS H . 26776 1 804 . 1 1 82 82 HIS HA H 1 4.797 0.020 . 1 . . . . 71 HIS HA . 26776 1 805 . 1 1 82 82 HIS HB2 H 1 3.582 0.020 . 2 . . . . 71 HIS HB2 . 26776 1 806 . 1 1 82 82 HIS HB3 H 1 3.169 0.020 . 2 . . . . 71 HIS HB3 . 26776 1 807 . 1 1 82 82 HIS HD2 H 1 6.814 0.020 . 1 . . . . 71 HIS HD2 . 26776 1 808 . 1 1 82 82 HIS HE1 H 1 8.217 0.020 . 1 . . . . 71 HIS HE1 . 26776 1 809 . 1 1 82 82 HIS C C 13 174.864 0.200 . 1 . . . . 71 HIS C . 26776 1 810 . 1 1 82 82 HIS CA C 13 53.756 0.200 . 1 . . . . 71 HIS CA . 26776 1 811 . 1 1 82 82 HIS CB C 13 29.075 0.200 . 1 . . . . 71 HIS CB . 26776 1 812 . 1 1 82 82 HIS CD2 C 13 118.188 0.200 . 1 . . . . 71 HIS CD2 . 26776 1 813 . 1 1 82 82 HIS CE1 C 13 137.570 0.200 . 1 . . . . 71 HIS CE1 . 26776 1 814 . 1 1 82 82 HIS N N 15 119.232 0.200 . 1 . . . . 71 HIS N . 26776 1 815 . 1 1 83 83 PRO HA H 1 4.310 0.020 . 1 . . . . 72 PRO HA . 26776 1 816 . 1 1 83 83 PRO HB2 H 1 2.013 0.020 . 2 . . . . 72 PRO HB2 . 26776 1 817 . 1 1 83 83 PRO HB3 H 1 2.372 0.020 . 2 . . . . 72 PRO HB3 . 26776 1 818 . 1 1 83 83 PRO HG2 H 1 2.157 0.020 . 2 . . . . 72 PRO HG2 . 26776 1 819 . 1 1 83 83 PRO HG3 H 1 2.127 0.020 . 2 . . . . 72 PRO HG3 . 26776 1 820 . 1 1 83 83 PRO HD2 H 1 3.908 0.020 . 2 . . . . 72 PRO HD2 . 26776 1 821 . 1 1 83 83 PRO HD3 H 1 4.045 0.020 . 2 . . . . 72 PRO HD3 . 26776 1 822 . 1 1 83 83 PRO C C 13 178.413 0.200 . 1 . . . . 72 PRO C . 26776 1 823 . 1 1 83 83 PRO CA C 13 65.101 0.200 . 1 . . . . 72 PRO CA . 26776 1 824 . 1 1 83 83 PRO CB C 13 31.486 0.200 . 1 . . . . 72 PRO CB . 26776 1 825 . 1 1 83 83 PRO CG C 13 27.246 0.200 . 1 . . . . 72 PRO CG . 26776 1 826 . 1 1 83 83 PRO CD C 13 51.122 0.200 . 1 . . . . 72 PRO CD . 26776 1 827 . 1 1 84 84 GLU H H 1 10.031 0.020 . 1 . . . . 73 GLU H . 26776 1 828 . 1 1 84 84 GLU HA H 1 4.121 0.020 . 1 . . . . 73 GLU HA . 26776 1 829 . 1 1 84 84 GLU HB2 H 1 2.189 0.020 . 2 . . . . 73 GLU HB2 . 26776 1 830 . 1 1 84 84 GLU HB3 H 1 1.986 0.020 . 2 . . . . 73 GLU HB3 . 26776 1 831 . 1 1 84 84 GLU HG2 H 1 2.433 0.020 . 2 . . . . 73 GLU HG2 . 26776 1 832 . 1 1 84 84 GLU HG3 H 1 2.651 0.020 . 2 . . . . 73 GLU HG3 . 26776 1 833 . 1 1 84 84 GLU C C 13 176.426 0.200 . 1 . . . . 73 GLU C . 26776 1 834 . 1 1 84 84 GLU CA C 13 59.589 0.200 . 1 . . . . 73 GLU CA . 26776 1 835 . 1 1 84 84 GLU CB C 13 29.041 0.200 . 1 . . . . 73 GLU CB . 26776 1 836 . 1 1 84 84 GLU CG C 13 37.282 0.200 . 1 . . . . 73 GLU CG . 26776 1 837 . 1 1 84 84 GLU N N 15 119.733 0.200 . 1 . . . . 73 GLU N . 26776 1 838 . 1 1 85 85 SER H H 1 7.602 0.020 . 1 . . . . 74 SER H . 26776 1 839 . 1 1 85 85 SER HA H 1 3.715 0.020 . 1 . . . . 74 SER HA . 26776 1 840 . 1 1 85 85 SER HB2 H 1 2.261 0.020 . 2 . . . . 74 SER HB2 . 26776 1 841 . 1 1 85 85 SER HB3 H 1 3.064 0.020 . 2 . . . . 74 SER HB3 . 26776 1 842 . 1 1 85 85 SER C C 13 176.033 0.200 . 1 . . . . 74 SER C . 26776 1 843 . 1 1 85 85 SER CA C 13 59.231 0.200 . 1 . . . . 74 SER CA . 26776 1 844 . 1 1 85 85 SER CB C 13 63.747 0.200 . 1 . . . . 74 SER CB . 26776 1 845 . 1 1 85 85 SER N N 15 111.365 0.200 . 1 . . . . 74 SER N . 26776 1 846 . 1 1 86 86 LYS H H 1 7.311 0.020 . 1 . . . . 75 LYS H . 26776 1 847 . 1 1 86 86 LYS HA H 1 3.991 0.020 . 1 . . . . 75 LYS HA . 26776 1 848 . 1 1 86 86 LYS HB2 H 1 1.861 0.020 . 1 . . . . 75 LYS HB2 . 26776 1 849 . 1 1 86 86 LYS HB3 H 1 1.861 0.020 . 1 . . . . 75 LYS HB3 . 26776 1 850 . 1 1 86 86 LYS HG2 H 1 1.501 0.020 . 2 . . . . 75 LYS HG2 . 26776 1 851 . 1 1 86 86 LYS HG3 H 1 1.384 0.020 . 2 . . . . 75 LYS HG3 . 26776 1 852 . 1 1 86 86 LYS HE2 H 1 2.971 0.020 . 1 . . . . 75 LYS HE2 . 26776 1 853 . 1 1 86 86 LYS HE3 H 1 2.971 0.020 . 1 . . . . 75 LYS HE3 . 26776 1 854 . 1 1 86 86 LYS C C 13 177.971 0.200 . 1 . . . . 75 LYS C . 26776 1 855 . 1 1 86 86 LYS CA C 13 58.517 0.200 . 1 . . . . 75 LYS CA . 26776 1 856 . 1 1 86 86 LYS CB C 13 31.770 0.200 . 1 . . . . 75 LYS CB . 26776 1 857 . 1 1 86 86 LYS CG C 13 24.582 0.200 . 1 . . . . 75 LYS CG . 26776 1 858 . 1 1 86 86 LYS N N 15 124.639 0.200 . 1 . . . . 75 LYS N . 26776 1 859 . 1 1 87 87 GLY H H 1 9.085 0.020 . 1 . . . . 76 GLY H . 26776 1 860 . 1 1 87 87 GLY HA2 H 1 3.822 0.020 . 2 . . . . 76 GLY HA2 . 26776 1 861 . 1 1 87 87 GLY HA3 H 1 4.137 0.020 . 2 . . . . 76 GLY HA3 . 26776 1 862 . 1 1 87 87 GLY C C 13 174.497 0.200 . 1 . . . . 76 GLY C . 26776 1 863 . 1 1 87 87 GLY CA C 13 45.556 0.200 . 1 . . . . 76 GLY CA . 26776 1 864 . 1 1 87 87 GLY N N 15 113.542 0.200 . 1 . . . . 76 GLY N . 26776 1 865 . 1 1 88 88 LYS H H 1 7.430 0.020 . 1 . . . . 77 LYS H . 26776 1 866 . 1 1 88 88 LYS HA H 1 4.817 0.020 . 1 . . . . 77 LYS HA . 26776 1 867 . 1 1 88 88 LYS HB2 H 1 1.956 0.020 . 2 . . . . 77 LYS HB2 . 26776 1 868 . 1 1 88 88 LYS HB3 H 1 1.532 0.020 . 2 . . . . 77 LYS HB3 . 26776 1 869 . 1 1 88 88 LYS HE2 H 1 3.262 0.020 . 2 . . . . 77 LYS HE2 . 26776 1 870 . 1 1 88 88 LYS HE3 H 1 3.283 0.020 . 2 . . . . 77 LYS HE3 . 26776 1 871 . 1 1 88 88 LYS C C 13 174.451 0.200 . 1 . . . . 77 LYS C . 26776 1 872 . 1 1 88 88 LYS CA C 13 52.971 0.200 . 1 . . . . 77 LYS CA . 26776 1 873 . 1 1 88 88 LYS CB C 13 31.744 0.200 . 1 . . . . 77 LYS CB . 26776 1 874 . 1 1 88 88 LYS CE C 13 42.495 0.200 . 1 . . . . 77 LYS CE . 26776 1 875 . 1 1 88 88 LYS N N 15 119.851 0.200 . 1 . . . . 77 LYS N . 26776 1 876 . 1 1 89 89 PRO HA H 1 4.519 0.020 . 1 . . . . 78 PRO HA . 26776 1 877 . 1 1 89 89 PRO HB2 H 1 1.702 0.020 . 2 . . . . 78 PRO HB2 . 26776 1 878 . 1 1 89 89 PRO HB3 H 1 2.358 0.020 . 2 . . . . 78 PRO HB3 . 26776 1 879 . 1 1 89 89 PRO HG2 H 1 2.101 0.020 . 2 . . . . 78 PRO HG2 . 26776 1 880 . 1 1 89 89 PRO HG3 H 1 2.019 0.020 . 2 . . . . 78 PRO HG3 . 26776 1 881 . 1 1 89 89 PRO HD2 H 1 4.345 0.020 . 1 . . . . 78 PRO HD2 . 26776 1 882 . 1 1 89 89 PRO HD3 H 1 4.345 0.020 . 1 . . . . 78 PRO HD3 . 26776 1 883 . 1 1 89 89 PRO C C 13 175.232 0.200 . 1 . . . . 78 PRO C . 26776 1 884 . 1 1 89 89 PRO CA C 13 63.278 0.200 . 1 . . . . 78 PRO CA . 26776 1 885 . 1 1 89 89 PRO CB C 13 33.254 0.200 . 1 . . . . 78 PRO CB . 26776 1 886 . 1 1 89 89 PRO CG C 13 27.530 0.200 . 1 . . . . 78 PRO CG . 26776 1 887 . 1 1 89 89 PRO CD C 13 51.146 0.200 . 1 . . . . 78 PRO CD . 26776 1 888 . 1 1 90 90 ILE H H 1 8.042 0.020 . 1 . . . . 79 ILE H . 26776 1 889 . 1 1 90 90 ILE HA H 1 4.927 0.020 . 1 . . . . 79 ILE HA . 26776 1 890 . 1 1 90 90 ILE HB H 1 1.589 0.020 . 1 . . . . 79 ILE HB . 26776 1 891 . 1 1 90 90 ILE HG12 H 1 1.791 0.020 . 2 . . . . 79 ILE HG12 . 26776 1 892 . 1 1 90 90 ILE HG13 H 1 0.832 0.020 . 2 . . . . 79 ILE HG13 . 26776 1 893 . 1 1 90 90 ILE HG21 H 1 0.609 0.020 . 1 . . . . 79 ILE HG21 . 26776 1 894 . 1 1 90 90 ILE HG22 H 1 0.609 0.020 . 1 . . . . 79 ILE HG22 . 26776 1 895 . 1 1 90 90 ILE HG23 H 1 0.609 0.020 . 1 . . . . 79 ILE HG23 . 26776 1 896 . 1 1 90 90 ILE HD11 H 1 0.948 0.020 . 1 . . . . 79 ILE HD11 . 26776 1 897 . 1 1 90 90 ILE HD12 H 1 0.948 0.020 . 1 . . . . 79 ILE HD12 . 26776 1 898 . 1 1 90 90 ILE HD13 H 1 0.948 0.020 . 1 . . . . 79 ILE HD13 . 26776 1 899 . 1 1 90 90 ILE C C 13 174.717 0.200 . 1 . . . . 79 ILE C . 26776 1 900 . 1 1 90 90 ILE CA C 13 59.675 0.200 . 1 . . . . 79 ILE CA . 26776 1 901 . 1 1 90 90 ILE CB C 13 42.171 0.200 . 1 . . . . 79 ILE CB . 26776 1 902 . 1 1 90 90 ILE CG1 C 13 27.213 0.200 . 1 . . . . 79 ILE CG1 . 26776 1 903 . 1 1 90 90 ILE CG2 C 13 18.013 0.200 . 1 . . . . 79 ILE CG2 . 26776 1 904 . 1 1 90 90 ILE CD1 C 13 15.031 0.200 . 1 . . . . 79 ILE CD1 . 26776 1 905 . 1 1 90 90 ILE N N 15 122.321 0.200 . 1 . . . . 79 ILE N . 26776 1 906 . 1 1 91 91 ILE H H 1 9.088 0.020 . 1 . . . . 80 ILE H . 26776 1 907 . 1 1 91 91 ILE HA H 1 4.511 0.020 . 1 . . . . 80 ILE HA . 26776 1 908 . 1 1 91 91 ILE HB H 1 1.595 0.020 . 1 . . . . 80 ILE HB . 26776 1 909 . 1 1 91 91 ILE HG12 H 1 1.184 0.020 . 2 . . . . 80 ILE HG12 . 26776 1 910 . 1 1 91 91 ILE HG13 H 1 0.980 0.020 . 2 . . . . 80 ILE HG13 . 26776 1 911 . 1 1 91 91 ILE HG21 H 1 0.603 0.020 . 1 . . . . 80 ILE HG21 . 26776 1 912 . 1 1 91 91 ILE HG22 H 1 0.603 0.020 . 1 . . . . 80 ILE HG22 . 26776 1 913 . 1 1 91 91 ILE HG23 H 1 0.603 0.020 . 1 . . . . 80 ILE HG23 . 26776 1 914 . 1 1 91 91 ILE HD11 H 1 0.597 0.020 . 1 . . . . 80 ILE HD11 . 26776 1 915 . 1 1 91 91 ILE HD12 H 1 0.597 0.020 . 1 . . . . 80 ILE HD12 . 26776 1 916 . 1 1 91 91 ILE HD13 H 1 0.597 0.020 . 1 . . . . 80 ILE HD13 . 26776 1 917 . 1 1 91 91 ILE C C 13 174.379 0.200 . 1 . . . . 80 ILE C . 26776 1 918 . 1 1 91 91 ILE CA C 13 58.587 0.200 . 1 . . . . 80 ILE CA . 26776 1 919 . 1 1 91 91 ILE CB C 13 40.895 0.200 . 1 . . . . 80 ILE CB . 26776 1 920 . 1 1 91 91 ILE CG1 C 13 27.098 0.200 . 1 . . . . 80 ILE CG1 . 26776 1 921 . 1 1 91 91 ILE CG2 C 13 17.354 0.200 . 1 . . . . 80 ILE CG2 . 26776 1 922 . 1 1 91 91 ILE CD1 C 13 12.661 0.200 . 1 . . . . 80 ILE CD1 . 26776 1 923 . 1 1 91 91 ILE N N 15 127.987 0.200 . 1 . . . . 80 ILE N . 26776 1 924 . 1 1 92 92 PHE H H 1 8.167 0.020 . 1 . . . . 81 PHE H . 26776 1 925 . 1 1 92 92 PHE HA H 1 5.221 0.020 . 1 . . . . 81 PHE HA . 26776 1 926 . 1 1 92 92 PHE HB2 H 1 1.391 0.020 . 2 . . . . 81 PHE HB2 . 26776 1 927 . 1 1 92 92 PHE HB3 H 1 2.596 0.020 . 2 . . . . 81 PHE HB3 . 26776 1 928 . 1 1 92 92 PHE HD1 H 1 6.708 0.020 . 3 . . . . 81 PHE HD1 . 26776 1 929 . 1 1 92 92 PHE HD2 H 1 6.708 0.020 . 3 . . . . 81 PHE HD2 . 26776 1 930 . 1 1 92 92 PHE HE1 H 1 7.104 0.020 . 3 . . . . 81 PHE HE1 . 26776 1 931 . 1 1 92 92 PHE HE2 H 1 7.104 0.020 . 3 . . . . 81 PHE HE2 . 26776 1 932 . 1 1 92 92 PHE HZ H 1 6.799 0.020 . 1 . . . . 81 PHE HZ . 26776 1 933 . 1 1 92 92 PHE C C 13 174.539 0.200 . 1 . . . . 81 PHE C . 26776 1 934 . 1 1 92 92 PHE CA C 13 56.134 0.200 . 1 . . . . 81 PHE CA . 26776 1 935 . 1 1 92 92 PHE CB C 13 43.133 0.200 . 1 . . . . 81 PHE CB . 26776 1 936 . 1 1 92 92 PHE CD1 C 13 131.503 0.200 . 3 . . . . 81 PHE CD1 . 26776 1 937 . 1 1 92 92 PHE CD2 C 13 131.503 0.200 . 3 . . . . 81 PHE CD2 . 26776 1 938 . 1 1 92 92 PHE CE1 C 13 130.105 0.200 . 3 . . . . 81 PHE CE1 . 26776 1 939 . 1 1 92 92 PHE CE2 C 13 130.105 0.200 . 3 . . . . 81 PHE CE2 . 26776 1 940 . 1 1 92 92 PHE CZ C 13 128.714 0.200 . 1 . . . . 81 PHE CZ . 26776 1 941 . 1 1 92 92 PHE N N 15 126.516 0.200 . 1 . . . . 81 PHE N . 26776 1 942 . 1 1 93 93 LEU H H 1 8.346 0.020 . 1 . . . . 82 LEU H . 26776 1 943 . 1 1 93 93 LEU HA H 1 5.039 0.020 . 1 . . . . 82 LEU HA . 26776 1 944 . 1 1 93 93 LEU HB2 H 1 1.339 0.020 . 2 . . . . 82 LEU HB2 . 26776 1 945 . 1 1 93 93 LEU HB3 H 1 0.914 0.020 . 2 . . . . 82 LEU HB3 . 26776 1 946 . 1 1 93 93 LEU HG H 1 1.054 0.020 . 1 . . . . 82 LEU HG . 26776 1 947 . 1 1 93 93 LEU HD11 H 1 0.285 0.020 . 2 . . . . 82 LEU HD11 . 26776 1 948 . 1 1 93 93 LEU HD12 H 1 0.285 0.020 . 2 . . . . 82 LEU HD12 . 26776 1 949 . 1 1 93 93 LEU HD13 H 1 0.285 0.020 . 2 . . . . 82 LEU HD13 . 26776 1 950 . 1 1 93 93 LEU HD21 H 1 0.516 0.020 . 2 . . . . 82 LEU HD21 . 26776 1 951 . 1 1 93 93 LEU HD22 H 1 0.516 0.020 . 2 . . . . 82 LEU HD22 . 26776 1 952 . 1 1 93 93 LEU HD23 H 1 0.516 0.020 . 2 . . . . 82 LEU HD23 . 26776 1 953 . 1 1 93 93 LEU C C 13 175.097 0.200 . 1 . . . . 82 LEU C . 26776 1 954 . 1 1 93 93 LEU CA C 13 53.023 0.200 . 1 . . . . 82 LEU CA . 26776 1 955 . 1 1 93 93 LEU CB C 13 43.959 0.200 . 1 . . . . 82 LEU CB . 26776 1 956 . 1 1 93 93 LEU CG C 13 27.080 0.200 . 1 . . . . 82 LEU CG . 26776 1 957 . 1 1 93 93 LEU CD1 C 13 24.681 0.200 . 2 . . . . 82 LEU CD1 . 26776 1 958 . 1 1 93 93 LEU CD2 C 13 24.014 0.200 . 2 . . . . 82 LEU CD2 . 26776 1 959 . 1 1 93 93 LEU N N 15 123.551 0.200 . 1 . . . . 82 LEU N . 26776 1 960 . 1 1 94 94 SER H H 1 8.098 0.020 . 1 . . . . 83 SER H . 26776 1 961 . 1 1 94 94 SER HA H 1 5.441 0.020 . 1 . . . . 83 SER HA . 26776 1 962 . 1 1 94 94 SER HB2 H 1 3.637 0.020 . 2 . . . . 83 SER HB2 . 26776 1 963 . 1 1 94 94 SER HB3 H 1 3.676 0.020 . 2 . . . . 83 SER HB3 . 26776 1 964 . 1 1 94 94 SER C C 13 174.902 0.200 . 1 . . . . 83 SER C . 26776 1 965 . 1 1 94 94 SER CA C 13 55.928 0.200 . 1 . . . . 83 SER CA . 26776 1 966 . 1 1 94 94 SER CB C 13 65.721 0.200 . 1 . . . . 83 SER CB . 26776 1 967 . 1 1 94 94 SER N N 15 113.819 0.200 . 1 . . . . 83 SER N . 26776 1 968 . 1 1 95 95 THR H H 1 8.748 0.020 . 1 . . . . 84 THR H . 26776 1 969 . 1 1 95 95 THR HA H 1 4.368 0.020 . 1 . . . . 84 THR HA . 26776 1 970 . 1 1 95 95 THR HB H 1 4.452 0.020 . 1 . . . . 84 THR HB . 26776 1 971 . 1 1 95 95 THR HG21 H 1 1.451 0.020 . 1 . . . . 84 THR HG21 . 26776 1 972 . 1 1 95 95 THR HG22 H 1 1.451 0.020 . 1 . . . . 84 THR HG22 . 26776 1 973 . 1 1 95 95 THR HG23 H 1 1.451 0.020 . 1 . . . . 84 THR HG23 . 26776 1 974 . 1 1 95 95 THR C C 13 175.322 0.200 . 1 . . . . 84 THR C . 26776 1 975 . 1 1 95 95 THR CA C 13 64.490 0.200 . 1 . . . . 84 THR CA . 26776 1 976 . 1 1 95 95 THR CB C 13 69.423 0.200 . 1 . . . . 84 THR CB . 26776 1 977 . 1 1 95 95 THR CG2 C 13 22.729 0.200 . 1 . . . . 84 THR CG2 . 26776 1 978 . 1 1 95 95 THR N N 15 117.950 0.200 . 1 . . . . 84 THR N . 26776 1 979 . 1 1 96 96 ASP H H 1 9.072 0.020 . 1 . . . . 85 ASP H . 26776 1 980 . 1 1 96 96 ASP HA H 1 4.789 0.020 . 1 . . . . 85 ASP HA . 26776 1 981 . 1 1 96 96 ASP HB2 H 1 2.774 0.020 . 2 . . . . 85 ASP HB2 . 26776 1 982 . 1 1 96 96 ASP HB3 H 1 2.896 0.020 . 2 . . . . 85 ASP HB3 . 26776 1 983 . 1 1 96 96 ASP C C 13 175.302 0.200 . 1 . . . . 85 ASP C . 26776 1 984 . 1 1 96 96 ASP CA C 13 54.615 0.200 . 1 . . . . 85 ASP CA . 26776 1 985 . 1 1 96 96 ASP CB C 13 42.305 0.200 . 1 . . . . 85 ASP CB . 26776 1 986 . 1 1 96 96 ASP N N 15 124.289 0.200 . 1 . . . . 85 ASP N . 26776 1 987 . 1 1 97 97 SER H H 1 8.502 0.020 . 1 . . . . 86 SER H . 26776 1 988 . 1 1 97 97 SER HA H 1 4.351 0.020 . 1 . . . . 86 SER HA . 26776 1 989 . 1 1 97 97 SER HB2 H 1 3.824 0.020 . 2 . . . . 86 SER HB2 . 26776 1 990 . 1 1 97 97 SER HB3 H 1 4.112 0.020 . 2 . . . . 86 SER HB3 . 26776 1 991 . 1 1 97 97 SER C C 13 173.798 0.200 . 1 . . . . 86 SER C . 26776 1 992 . 1 1 97 97 SER CA C 13 56.975 0.200 . 1 . . . . 86 SER CA . 26776 1 993 . 1 1 97 97 SER CB C 13 64.869 0.200 . 1 . . . . 86 SER CB . 26776 1 994 . 1 1 97 97 SER N N 15 112.276 0.200 . 1 . . . . 86 SER N . 26776 1 995 . 1 1 98 98 ALA H H 1 7.695 0.020 . 1 . . . . 87 ALA H . 26776 1 996 . 1 1 98 98 ALA HA H 1 4.104 0.020 . 1 . . . . 87 ALA HA . 26776 1 997 . 1 1 98 98 ALA HB1 H 1 1.432 0.020 . 1 . . . . 87 ALA HB1 . 26776 1 998 . 1 1 98 98 ALA HB2 H 1 1.432 0.020 . 1 . . . . 87 ALA HB2 . 26776 1 999 . 1 1 98 98 ALA HB3 H 1 1.432 0.020 . 1 . . . . 87 ALA HB3 . 26776 1 1000 . 1 1 98 98 ALA C C 13 178.344 0.200 . 1 . . . . 87 ALA C . 26776 1 1001 . 1 1 98 98 ALA CA C 13 53.079 0.200 . 1 . . . . 87 ALA CA . 26776 1 1002 . 1 1 98 98 ALA CB C 13 19.027 0.200 . 1 . . . . 87 ALA CB . 26776 1 1003 . 1 1 98 98 ALA N N 15 125.097 0.200 . 1 . . . . 87 ALA N . 26776 1 1004 . 1 1 99 99 ASP HA H 1 4.093 0.020 . 1 . . . . 88 ASP HA . 26776 1 1005 . 1 1 99 99 ASP HB2 H 1 2.580 0.020 . 1 . . . . 88 ASP HB2 . 26776 1 1006 . 1 1 99 99 ASP HB3 H 1 2.580 0.020 . 1 . . . . 88 ASP HB3 . 26776 1 1007 . 1 1 99 99 ASP CA C 13 57.827 0.200 . 1 . . . . 88 ASP CA . 26776 1 1008 . 1 1 99 99 ASP CB C 13 40.493 0.200 . 1 . . . . 88 ASP CB . 26776 1 1009 . 1 1 100 100 THR HA H 1 3.945 0.020 . 1 . . . . 89 THR HA . 26776 1 1010 . 1 1 100 100 THR HB H 1 4.075 0.020 . 1 . . . . 89 THR HB . 26776 1 1011 . 1 1 100 100 THR HG21 H 1 1.190 0.020 . 1 . . . . 89 THR HG21 . 26776 1 1012 . 1 1 100 100 THR HG22 H 1 1.190 0.020 . 1 . . . . 89 THR HG22 . 26776 1 1013 . 1 1 100 100 THR HG23 H 1 1.190 0.020 . 1 . . . . 89 THR HG23 . 26776 1 1014 . 1 1 100 100 THR C C 13 176.651 0.200 . 1 . . . . 89 THR C . 26776 1 1015 . 1 1 100 100 THR CA C 13 64.601 0.200 . 1 . . . . 89 THR CA . 26776 1 1016 . 1 1 100 100 THR CB C 13 67.995 0.200 . 1 . . . . 89 THR CB . 26776 1 1017 . 1 1 100 100 THR CG2 C 13 21.682 0.200 . 1 . . . . 89 THR CG2 . 26776 1 1018 . 1 1 101 101 LEU H H 1 6.603 0.020 . 1 . . . . 90 LEU H . 26776 1 1019 . 1 1 101 101 LEU HA H 1 3.905 0.020 . 1 . . . . 90 LEU HA . 26776 1 1020 . 1 1 101 101 LEU HB2 H 1 1.315 0.020 . 2 . . . . 90 LEU HB2 . 26776 1 1021 . 1 1 101 101 LEU HB3 H 1 1.213 0.020 . 2 . . . . 90 LEU HB3 . 26776 1 1022 . 1 1 101 101 LEU HG H 1 1.492 0.020 . 1 . . . . 90 LEU HG . 26776 1 1023 . 1 1 101 101 LEU HD11 H 1 1.011 0.020 . 2 . . . . 90 LEU HD11 . 26776 1 1024 . 1 1 101 101 LEU HD12 H 1 1.011 0.020 . 2 . . . . 90 LEU HD12 . 26776 1 1025 . 1 1 101 101 LEU HD13 H 1 1.011 0.020 . 2 . . . . 90 LEU HD13 . 26776 1 1026 . 1 1 101 101 LEU HD21 H 1 0.891 0.020 . 2 . . . . 90 LEU HD21 . 26776 1 1027 . 1 1 101 101 LEU HD22 H 1 0.891 0.020 . 2 . . . . 90 LEU HD22 . 26776 1 1028 . 1 1 101 101 LEU HD23 H 1 0.891 0.020 . 2 . . . . 90 LEU HD23 . 26776 1 1029 . 1 1 101 101 LEU C C 13 177.488 0.200 . 1 . . . . 90 LEU C . 26776 1 1030 . 1 1 101 101 LEU CA C 13 57.020 0.200 . 1 . . . . 90 LEU CA . 26776 1 1031 . 1 1 101 101 LEU CB C 13 41.355 0.200 . 1 . . . . 90 LEU CB . 26776 1 1032 . 1 1 101 101 LEU CG C 13 26.642 0.200 . 1 . . . . 90 LEU CG . 26776 1 1033 . 1 1 101 101 LEU CD1 C 13 25.514 0.200 . 2 . . . . 90 LEU CD1 . 26776 1 1034 . 1 1 101 101 LEU CD2 C 13 23.628 0.200 . 2 . . . . 90 LEU CD2 . 26776 1 1035 . 1 1 101 101 LEU N N 15 122.606 0.200 . 1 . . . . 90 LEU N . 26776 1 1036 . 1 1 102 102 LYS H H 1 6.956 0.020 . 1 . . . . 91 LYS H . 26776 1 1037 . 1 1 102 102 LYS HA H 1 3.090 0.020 . 1 . . . . 91 LYS HA . 26776 1 1038 . 1 1 102 102 LYS HB2 H 1 1.399 0.020 . 1 . . . . 91 LYS HB2 . 26776 1 1039 . 1 1 102 102 LYS HB3 H 1 1.399 0.020 . 1 . . . . 91 LYS HB3 . 26776 1 1040 . 1 1 102 102 LYS HG2 H 1 -0.024 0.020 . 2 . . . . 91 LYS HG2 . 26776 1 1041 . 1 1 102 102 LYS HG3 H 1 0.386 0.020 . 2 . . . . 91 LYS HG3 . 26776 1 1042 . 1 1 102 102 LYS HD2 H 1 1.288 0.020 . 2 . . . . 91 LYS HD2 . 26776 1 1043 . 1 1 102 102 LYS HD3 H 1 1.289 0.020 . 2 . . . . 91 LYS HD3 . 26776 1 1044 . 1 1 102 102 LYS HE2 H 1 2.572 0.020 . 1 . . . . 91 LYS HE2 . 26776 1 1045 . 1 1 102 102 LYS HE3 H 1 2.572 0.020 . 1 . . . . 91 LYS HE3 . 26776 1 1046 . 1 1 102 102 LYS C C 13 179.763 0.200 . 1 . . . . 91 LYS C . 26776 1 1047 . 1 1 102 102 LYS CA C 13 59.604 0.200 . 1 . . . . 91 LYS CA . 26776 1 1048 . 1 1 102 102 LYS CB C 13 31.876 0.200 . 1 . . . . 91 LYS CB . 26776 1 1049 . 1 1 102 102 LYS CG C 13 23.715 0.200 . 1 . . . . 91 LYS CG . 26776 1 1050 . 1 1 102 102 LYS CD C 13 29.923 0.200 . 1 . . . . 91 LYS CD . 26776 1 1051 . 1 1 102 102 LYS CE C 13 41.455 0.200 . 1 . . . . 91 LYS CE . 26776 1 1052 . 1 1 102 102 LYS N N 15 117.324 0.200 . 1 . . . . 91 LYS N . 26776 1 1053 . 1 1 103 103 GLN H H 1 7.949 0.020 . 1 . . . . 92 GLN H . 26776 1 1054 . 1 1 103 103 GLN HA H 1 3.913 0.020 . 1 . . . . 92 GLN HA . 26776 1 1055 . 1 1 103 103 GLN HB2 H 1 2.064 0.020 . 1 . . . . 92 GLN HB2 . 26776 1 1056 . 1 1 103 103 GLN HB3 H 1 2.064 0.020 . 1 . . . . 92 GLN HB3 . 26776 1 1057 . 1 1 103 103 GLN HG2 H 1 2.328 0.020 . 1 . . . . 92 GLN HG2 . 26776 1 1058 . 1 1 103 103 GLN HG3 H 1 2.328 0.020 . 1 . . . . 92 GLN HG3 . 26776 1 1059 . 1 1 103 103 GLN HE21 H 1 7.725 0.020 . 1 . . . . 92 GLN HE21 . 26776 1 1060 . 1 1 103 103 GLN HE22 H 1 6.747 0.020 . 1 . . . . 92 GLN HE22 . 26776 1 1061 . 1 1 103 103 GLN C C 13 178.365 0.200 . 1 . . . . 92 GLN C . 26776 1 1062 . 1 1 103 103 GLN CA C 13 58.624 0.200 . 1 . . . . 92 GLN CA . 26776 1 1063 . 1 1 103 103 GLN CB C 13 27.436 0.200 . 1 . . . . 92 GLN CB . 26776 1 1064 . 1 1 103 103 GLN CG C 13 32.826 0.200 . 1 . . . . 92 GLN CG . 26776 1 1065 . 1 1 103 103 GLN N N 15 118.451 0.200 . 1 . . . . 92 GLN N . 26776 1 1066 . 1 1 103 103 GLN NE2 N 15 112.468 0.200 . 1 . . . . 92 GLN NE2 . 26776 1 1067 . 1 1 104 104 GLN H H 1 7.718 0.020 . 1 . . . . 93 GLN H . 26776 1 1068 . 1 1 104 104 GLN HA H 1 3.945 0.020 . 1 . . . . 93 GLN HA . 26776 1 1069 . 1 1 104 104 GLN HB2 H 1 1.999 0.020 . 2 . . . . 93 GLN HB2 . 26776 1 1070 . 1 1 104 104 GLN HB3 H 1 2.126 0.020 . 2 . . . . 93 GLN HB3 . 26776 1 1071 . 1 1 104 104 GLN HG2 H 1 2.257 0.020 . 2 . . . . 93 GLN HG2 . 26776 1 1072 . 1 1 104 104 GLN HG3 H 1 2.613 0.020 . 2 . . . . 93 GLN HG3 . 26776 1 1073 . 1 1 104 104 GLN HE21 H 1 6.944 0.020 . 1 . . . . 93 GLN HE21 . 26776 1 1074 . 1 1 104 104 GLN HE22 H 1 6.818 0.020 . 1 . . . . 93 GLN HE22 . 26776 1 1075 . 1 1 104 104 GLN C C 13 179.313 0.200 . 1 . . . . 93 GLN C . 26776 1 1076 . 1 1 104 104 GLN CA C 13 59.151 0.200 . 1 . . . . 93 GLN CA . 26776 1 1077 . 1 1 104 104 GLN CB C 13 29.514 0.200 . 1 . . . . 93 GLN CB . 26776 1 1078 . 1 1 104 104 GLN CG C 13 35.035 0.200 . 1 . . . . 93 GLN CG . 26776 1 1079 . 1 1 104 104 GLN N N 15 119.269 0.200 . 1 . . . . 93 GLN N . 26776 1 1080 . 1 1 104 104 GLN NE2 N 15 110.771 0.200 . 1 . . . . 93 GLN NE2 . 26776 1 1081 . 1 1 105 105 ALA H H 1 8.420 0.020 . 1 . . . . 94 ALA H . 26776 1 1082 . 1 1 105 105 ALA HA H 1 3.691 0.020 . 1 . . . . 94 ALA HA . 26776 1 1083 . 1 1 105 105 ALA HB1 H 1 1.134 0.020 . 1 . . . . 94 ALA HB1 . 26776 1 1084 . 1 1 105 105 ALA HB2 H 1 1.134 0.020 . 1 . . . . 94 ALA HB2 . 26776 1 1085 . 1 1 105 105 ALA HB3 H 1 1.134 0.020 . 1 . . . . 94 ALA HB3 . 26776 1 1086 . 1 1 105 105 ALA C C 13 179.120 0.200 . 1 . . . . 94 ALA C . 26776 1 1087 . 1 1 105 105 ALA CA C 13 55.144 0.200 . 1 . . . . 94 ALA CA . 26776 1 1088 . 1 1 105 105 ALA CB C 13 17.205 0.200 . 1 . . . . 94 ALA CB . 26776 1 1089 . 1 1 105 105 ALA N N 15 122.749 0.200 . 1 . . . . 94 ALA N . 26776 1 1090 . 1 1 106 106 ARG H H 1 7.951 0.020 . 1 . . . . 95 ARG H . 26776 1 1091 . 1 1 106 106 ARG HA H 1 4.214 0.020 . 1 . . . . 95 ARG HA . 26776 1 1092 . 1 1 106 106 ARG HB2 H 1 1.947 0.020 . 1 . . . . 95 ARG HB2 . 26776 1 1093 . 1 1 106 106 ARG HB3 H 1 1.947 0.020 . 1 . . . . 95 ARG HB3 . 26776 1 1094 . 1 1 106 106 ARG HG2 H 1 1.589 0.020 . 2 . . . . 95 ARG HG2 . 26776 1 1095 . 1 1 106 106 ARG HG3 H 1 1.760 0.020 . 2 . . . . 95 ARG HG3 . 26776 1 1096 . 1 1 106 106 ARG HD2 H 1 3.210 0.020 . 1 . . . . 95 ARG HD2 . 26776 1 1097 . 1 1 106 106 ARG HD3 H 1 3.210 0.020 . 1 . . . . 95 ARG HD3 . 26776 1 1098 . 1 1 106 106 ARG C C 13 181.022 0.200 . 1 . . . . 95 ARG C . 26776 1 1099 . 1 1 106 106 ARG CA C 13 59.416 0.200 . 1 . . . . 95 ARG CA . 26776 1 1100 . 1 1 106 106 ARG CB C 13 29.553 0.200 . 1 . . . . 95 ARG CB . 26776 1 1101 . 1 1 106 106 ARG CG C 13 26.890 0.200 . 1 . . . . 95 ARG CG . 26776 1 1102 . 1 1 106 106 ARG CD C 13 43.372 0.200 . 1 . . . . 95 ARG CD . 26776 1 1103 . 1 1 106 106 ARG N N 15 119.893 0.200 . 1 . . . . 95 ARG N . 26776 1 1104 . 1 1 107 107 GLU H H 1 8.333 0.020 . 1 . . . . 96 GLU H . 26776 1 1105 . 1 1 107 107 GLU HA H 1 4.024 0.020 . 1 . . . . 96 GLU HA . 26776 1 1106 . 1 1 107 107 GLU HB2 H 1 2.087 0.020 . 1 . . . . 96 GLU HB2 . 26776 1 1107 . 1 1 107 107 GLU HB3 H 1 2.087 0.020 . 1 . . . . 96 GLU HB3 . 26776 1 1108 . 1 1 107 107 GLU C C 13 177.667 0.200 . 1 . . . . 96 GLU C . 26776 1 1109 . 1 1 107 107 GLU CA C 13 59.025 0.200 . 1 . . . . 96 GLU CA . 26776 1 1110 . 1 1 107 107 GLU CB C 13 29.133 0.200 . 1 . . . . 96 GLU CB . 26776 1 1111 . 1 1 107 107 GLU N N 15 121.121 0.200 . 1 . . . . 96 GLU N . 26776 1 1112 . 1 1 108 108 ALA H H 1 7.622 0.020 . 1 . . . . 97 ALA H . 26776 1 1113 . 1 1 108 108 ALA HA H 1 4.371 0.020 . 1 . . . . 97 ALA HA . 26776 1 1114 . 1 1 108 108 ALA HB1 H 1 1.481 0.020 . 1 . . . . 97 ALA HB1 . 26776 1 1115 . 1 1 108 108 ALA HB2 H 1 1.481 0.020 . 1 . . . . 97 ALA HB2 . 26776 1 1116 . 1 1 108 108 ALA HB3 H 1 1.481 0.020 . 1 . . . . 97 ALA HB3 . 26776 1 1117 . 1 1 108 108 ALA C C 13 175.842 0.200 . 1 . . . . 97 ALA C . 26776 1 1118 . 1 1 108 108 ALA CA C 13 52.211 0.200 . 1 . . . . 97 ALA CA . 26776 1 1119 . 1 1 108 108 ALA CB C 13 18.486 0.200 . 1 . . . . 97 ALA CB . 26776 1 1120 . 1 1 108 108 ALA N N 15 119.764 0.200 . 1 . . . . 97 ALA N . 26776 1 1121 . 1 1 109 109 GLY H H 1 7.512 0.020 . 1 . . . . 98 GLY H . 26776 1 1122 . 1 1 109 109 GLY HA2 H 1 4.330 0.020 . 2 . . . . 98 GLY HA2 . 26776 1 1123 . 1 1 109 109 GLY HA3 H 1 3.701 0.020 . 2 . . . . 98 GLY HA3 . 26776 1 1124 . 1 1 109 109 GLY C C 13 175.075 0.200 . 1 . . . . 98 GLY C . 26776 1 1125 . 1 1 109 109 GLY CA C 13 44.597 0.200 . 1 . . . . 98 GLY CA . 26776 1 1126 . 1 1 109 109 GLY N N 15 101.734 0.200 . 1 . . . . 98 GLY N . 26776 1 1127 . 1 1 110 110 ALA H H 1 8.495 0.020 . 1 . . . . 99 ALA H . 26776 1 1128 . 1 1 110 110 ALA HA H 1 4.499 0.020 . 1 . . . . 99 ALA HA . 26776 1 1129 . 1 1 110 110 ALA HB1 H 1 1.504 0.020 . 1 . . . . 99 ALA HB1 . 26776 1 1130 . 1 1 110 110 ALA HB2 H 1 1.504 0.020 . 1 . . . . 99 ALA HB2 . 26776 1 1131 . 1 1 110 110 ALA HB3 H 1 1.504 0.020 . 1 . . . . 99 ALA HB3 . 26776 1 1132 . 1 1 110 110 ALA C C 13 177.767 0.200 . 1 . . . . 99 ALA C . 26776 1 1133 . 1 1 110 110 ALA CA C 13 52.803 0.200 . 1 . . . . 99 ALA CA . 26776 1 1134 . 1 1 110 110 ALA CB C 13 19.431 0.200 . 1 . . . . 99 ALA CB . 26776 1 1135 . 1 1 110 110 ALA N N 15 122.457 0.200 . 1 . . . . 99 ALA N . 26776 1 1136 . 1 1 111 111 MET H H 1 9.409 0.020 . 1 . . . . 100 MET H . 26776 1 1137 . 1 1 111 111 MET HA H 1 4.638 0.020 . 1 . . . . 100 MET HA . 26776 1 1138 . 1 1 111 111 MET HB2 H 1 2.256 0.020 . 2 . . . . 100 MET HB2 . 26776 1 1139 . 1 1 111 111 MET HB3 H 1 1.931 0.020 . 2 . . . . 100 MET HB3 . 26776 1 1140 . 1 1 111 111 MET HG2 H 1 2.741 0.020 . 2 . . . . 100 MET HG2 . 26776 1 1141 . 1 1 111 111 MET HG3 H 1 2.851 0.020 . 2 . . . . 100 MET HG3 . 26776 1 1142 . 1 1 111 111 MET C C 13 176.055 0.200 . 1 . . . . 100 MET C . 26776 1 1143 . 1 1 111 111 MET CA C 13 55.627 0.200 . 1 . . . . 100 MET CA . 26776 1 1144 . 1 1 111 111 MET CB C 13 33.779 0.200 . 1 . . . . 100 MET CB . 26776 1 1145 . 1 1 111 111 MET CG C 13 32.362 0.200 . 1 . . . . 100 MET CG . 26776 1 1146 . 1 1 111 111 MET N N 15 120.332 0.200 . 1 . . . . 100 MET N . 26776 1 1147 . 1 1 112 112 GLY H H 1 7.459 0.020 . 1 . . . . 101 GLY H . 26776 1 1148 . 1 1 112 112 GLY HA2 H 1 3.853 0.020 . 2 . . . . 101 GLY HA2 . 26776 1 1149 . 1 1 112 112 GLY HA3 H 1 4.237 0.020 . 2 . . . . 101 GLY HA3 . 26776 1 1150 . 1 1 112 112 GLY C C 13 170.291 0.200 . 1 . . . . 101 GLY C . 26776 1 1151 . 1 1 112 112 GLY CA C 13 45.429 0.200 . 1 . . . . 101 GLY CA . 26776 1 1152 . 1 1 112 112 GLY N N 15 105.116 0.200 . 1 . . . . 101 GLY N . 26776 1 1153 . 1 1 113 113 TRP H H 1 8.582 0.020 . 1 . . . . 102 TRP H . 26776 1 1154 . 1 1 113 113 TRP HA H 1 4.980 0.020 . 1 . . . . 102 TRP HA . 26776 1 1155 . 1 1 113 113 TRP HB2 H 1 3.089 0.020 . 1 . . . . 102 TRP HB2 . 26776 1 1156 . 1 1 113 113 TRP HB3 H 1 3.089 0.020 . 1 . . . . 102 TRP HB3 . 26776 1 1157 . 1 1 113 113 TRP HD1 H 1 6.692 0.020 . 1 . . . . 102 TRP HD1 . 26776 1 1158 . 1 1 113 113 TRP HE1 H 1 10.057 0.020 . 1 . . . . 102 TRP HE1 . 26776 1 1159 . 1 1 113 113 TRP HE3 H 1 6.859 0.020 . 1 . . . . 102 TRP HE3 . 26776 1 1160 . 1 1 113 113 TRP HZ2 H 1 7.275 0.020 . 1 . . . . 102 TRP HZ2 . 26776 1 1161 . 1 1 113 113 TRP HZ3 H 1 5.935 0.020 . 1 . . . . 102 TRP HZ3 . 26776 1 1162 . 1 1 113 113 TRP HH2 H 1 6.684 0.020 . 1 . . . . 102 TRP HH2 . 26776 1 1163 . 1 1 113 113 TRP C C 13 174.442 0.200 . 1 . . . . 102 TRP C . 26776 1 1164 . 1 1 113 113 TRP CA C 13 57.171 0.200 . 1 . . . . 102 TRP CA . 26776 1 1165 . 1 1 113 113 TRP CB C 13 29.940 0.200 . 1 . . . . 102 TRP CB . 26776 1 1166 . 1 1 113 113 TRP CD1 C 13 125.805 0.200 . 1 . . . . 102 TRP CD1 . 26776 1 1167 . 1 1 113 113 TRP CE3 C 13 119.759 0.200 . 1 . . . . 102 TRP CE3 . 26776 1 1168 . 1 1 113 113 TRP CZ2 C 13 113.786 0.200 . 1 . . . . 102 TRP CZ2 . 26776 1 1169 . 1 1 113 113 TRP CZ3 C 13 121.894 0.200 . 1 . . . . 102 TRP CZ3 . 26776 1 1170 . 1 1 113 113 TRP CH2 C 13 123.399 0.200 . 1 . . . . 102 TRP CH2 . 26776 1 1171 . 1 1 113 113 TRP N N 15 123.185 0.200 . 1 . . . . 102 TRP N . 26776 1 1172 . 1 1 113 113 TRP NE1 N 15 127.996 0.200 . 1 . . . . 102 TRP NE1 . 26776 1 1173 . 1 1 114 114 MET H H 1 9.265 0.020 . 1 . . . . 103 MET H . 26776 1 1174 . 1 1 114 114 MET HA H 1 4.619 0.020 . 1 . . . . 103 MET HA . 26776 1 1175 . 1 1 114 114 MET HB2 H 1 1.875 0.020 . 2 . . . . 103 MET HB2 . 26776 1 1176 . 1 1 114 114 MET HB3 H 1 1.854 0.020 . 2 . . . . 103 MET HB3 . 26776 1 1177 . 1 1 114 114 MET HG2 H 1 2.253 0.020 . 2 . . . . 103 MET HG2 . 26776 1 1178 . 1 1 114 114 MET HG3 H 1 2.332 0.020 . 2 . . . . 103 MET HG3 . 26776 1 1179 . 1 1 114 114 MET C C 13 173.253 0.200 . 1 . . . . 103 MET C . 26776 1 1180 . 1 1 114 114 MET CA C 13 54.781 0.200 . 1 . . . . 103 MET CA . 26776 1 1181 . 1 1 114 114 MET CB C 13 36.006 0.200 . 1 . . . . 103 MET CB . 26776 1 1182 . 1 1 114 114 MET CG C 13 31.542 0.200 . 1 . . . . 103 MET CG . 26776 1 1183 . 1 1 114 114 MET N N 15 130.240 0.200 . 1 . . . . 103 MET N . 26776 1 1184 . 1 1 115 115 VAL H H 1 8.234 0.020 . 1 . . . . 104 VAL H . 26776 1 1185 . 1 1 115 115 VAL HA H 1 5.126 0.020 . 1 . . . . 104 VAL HA . 26776 1 1186 . 1 1 115 115 VAL HB H 1 2.056 0.020 . 1 . . . . 104 VAL HB . 26776 1 1187 . 1 1 115 115 VAL HG11 H 1 1.139 0.020 . 2 . . . . 104 VAL HG11 . 26776 1 1188 . 1 1 115 115 VAL HG12 H 1 1.139 0.020 . 2 . . . . 104 VAL HG12 . 26776 1 1189 . 1 1 115 115 VAL HG13 H 1 1.139 0.020 . 2 . . . . 104 VAL HG13 . 26776 1 1190 . 1 1 115 115 VAL HG21 H 1 1.150 0.020 . 2 . . . . 104 VAL HG21 . 26776 1 1191 . 1 1 115 115 VAL HG22 H 1 1.150 0.020 . 2 . . . . 104 VAL HG22 . 26776 1 1192 . 1 1 115 115 VAL HG23 H 1 1.150 0.020 . 2 . . . . 104 VAL HG23 . 26776 1 1193 . 1 1 115 115 VAL C C 13 176.578 0.200 . 1 . . . . 104 VAL C . 26776 1 1194 . 1 1 115 115 VAL CA C 13 60.241 0.200 . 1 . . . . 104 VAL CA . 26776 1 1195 . 1 1 115 115 VAL CB C 13 32.956 0.200 . 1 . . . . 104 VAL CB . 26776 1 1196 . 1 1 115 115 VAL CG1 C 13 21.909 0.200 . 2 . . . . 104 VAL CG1 . 26776 1 1197 . 1 1 115 115 VAL CG2 C 13 21.028 0.200 . 2 . . . . 104 VAL CG2 . 26776 1 1198 . 1 1 115 115 VAL N N 15 122.278 0.200 . 1 . . . . 104 VAL N . 26776 1 1199 . 1 1 116 116 LYS H H 1 7.940 0.020 . 1 . . . . 105 LYS H . 26776 1 1200 . 1 1 116 116 LYS HA H 1 4.098 0.020 . 1 . . . . 105 LYS HA . 26776 1 1201 . 1 1 116 116 LYS HB2 H 1 1.336 0.020 . 2 . . . . 105 LYS HB2 . 26776 1 1202 . 1 1 116 116 LYS HB3 H 1 2.015 0.020 . 2 . . . . 105 LYS HB3 . 26776 1 1203 . 1 1 116 116 LYS HE2 H 1 2.795 0.020 . 2 . . . . 105 LYS HE2 . 26776 1 1204 . 1 1 116 116 LYS HE3 H 1 2.805 0.020 . 2 . . . . 105 LYS HE3 . 26776 1 1205 . 1 1 116 116 LYS C C 13 174.631 0.200 . 1 . . . . 105 LYS C . 26776 1 1206 . 1 1 116 116 LYS CA C 13 55.070 0.200 . 1 . . . . 105 LYS CA . 26776 1 1207 . 1 1 116 116 LYS CB C 13 34.341 0.200 . 1 . . . . 105 LYS CB . 26776 1 1208 . 1 1 116 116 LYS CE C 13 41.996 0.200 . 1 . . . . 105 LYS CE . 26776 1 1209 . 1 1 116 116 LYS N N 15 125.462 0.200 . 1 . . . . 105 LYS N . 26776 1 1210 . 1 1 117 117 PRO HA H 1 4.560 0.020 . 1 . . . . 106 PRO HA . 26776 1 1211 . 1 1 117 117 PRO HB2 H 1 2.003 0.020 . 2 . . . . 106 PRO HB2 . 26776 1 1212 . 1 1 117 117 PRO HB3 H 1 2.295 0.020 . 2 . . . . 106 PRO HB3 . 26776 1 1213 . 1 1 117 117 PRO HG2 H 1 1.909 0.020 . 1 . . . . 106 PRO HG2 . 26776 1 1214 . 1 1 117 117 PRO HG3 H 1 1.909 0.020 . 1 . . . . 106 PRO HG3 . 26776 1 1215 . 1 1 117 117 PRO HD2 H 1 3.668 0.020 . 2 . . . . 106 PRO HD2 . 26776 1 1216 . 1 1 117 117 PRO HD3 H 1 3.479 0.020 . 2 . . . . 106 PRO HD3 . 26776 1 1217 . 1 1 117 117 PRO C C 13 174.520 0.200 . 1 . . . . 106 PRO C . 26776 1 1218 . 1 1 117 117 PRO CA C 13 62.088 0.200 . 1 . . . . 106 PRO CA . 26776 1 1219 . 1 1 117 117 PRO CB C 13 34.722 0.200 . 1 . . . . 106 PRO CB . 26776 1 1220 . 1 1 117 117 PRO CG C 13 24.360 0.200 . 1 . . . . 106 PRO CG . 26776 1 1221 . 1 1 117 117 PRO CD C 13 50.501 0.200 . 1 . . . . 106 PRO CD . 26776 1 1222 . 1 1 118 118 PHE H H 1 7.634 0.020 . 1 . . . . 107 PHE H . 26776 1 1223 . 1 1 118 118 PHE HA H 1 5.444 0.020 . 1 . . . . 107 PHE HA . 26776 1 1224 . 1 1 118 118 PHE HB2 H 1 2.932 0.020 . 2 . . . . 107 PHE HB2 . 26776 1 1225 . 1 1 118 118 PHE HB3 H 1 3.153 0.020 . 2 . . . . 107 PHE HB3 . 26776 1 1226 . 1 1 118 118 PHE HD1 H 1 7.031 0.020 . 3 . . . . 107 PHE HD1 . 26776 1 1227 . 1 1 118 118 PHE HD2 H 1 7.031 0.020 . 3 . . . . 107 PHE HD2 . 26776 1 1228 . 1 1 118 118 PHE HE1 H 1 7.029 0.020 . 3 . . . . 107 PHE HE1 . 26776 1 1229 . 1 1 118 118 PHE HE2 H 1 7.029 0.020 . 3 . . . . 107 PHE HE2 . 26776 1 1230 . 1 1 118 118 PHE HZ H 1 6.938 0.020 . 1 . . . . 107 PHE HZ . 26776 1 1231 . 1 1 118 118 PHE C C 13 174.531 0.200 . 1 . . . . 107 PHE C . 26776 1 1232 . 1 1 118 118 PHE CA C 13 54.496 0.200 . 1 . . . . 107 PHE CA . 26776 1 1233 . 1 1 118 118 PHE CB C 13 42.029 0.200 . 1 . . . . 107 PHE CB . 26776 1 1234 . 1 1 118 118 PHE CD1 C 13 132.690 0.200 . 3 . . . . 107 PHE CD1 . 26776 1 1235 . 1 1 118 118 PHE CD2 C 13 132.690 0.200 . 3 . . . . 107 PHE CD2 . 26776 1 1236 . 1 1 118 118 PHE CE1 C 13 130.711 0.200 . 3 . . . . 107 PHE CE1 . 26776 1 1237 . 1 1 118 118 PHE CE2 C 13 130.711 0.200 . 3 . . . . 107 PHE CE2 . 26776 1 1238 . 1 1 118 118 PHE CZ C 13 129.353 0.200 . 1 . . . . 107 PHE CZ . 26776 1 1239 . 1 1 118 118 PHE N N 15 116.276 0.200 . 1 . . . . 107 PHE N . 26776 1 1240 . 1 1 119 119 THR H H 1 8.354 0.020 . 1 . . . . 108 THR H . 26776 1 1241 . 1 1 119 119 THR HA H 1 4.665 0.020 . 1 . . . . 108 THR HA . 26776 1 1242 . 1 1 119 119 THR HB H 1 4.537 0.020 . 1 . . . . 108 THR HB . 26776 1 1243 . 1 1 119 119 THR HG21 H 1 1.205 0.020 . 1 . . . . 108 THR HG21 . 26776 1 1244 . 1 1 119 119 THR HG22 H 1 1.205 0.020 . 1 . . . . 108 THR HG22 . 26776 1 1245 . 1 1 119 119 THR HG23 H 1 1.205 0.020 . 1 . . . . 108 THR HG23 . 26776 1 1246 . 1 1 119 119 THR C C 13 175.260 0.200 . 1 . . . . 108 THR C . 26776 1 1247 . 1 1 119 119 THR CA C 13 59.091 0.200 . 1 . . . . 108 THR CA . 26776 1 1248 . 1 1 119 119 THR CB C 13 70.983 0.200 . 1 . . . . 108 THR CB . 26776 1 1249 . 1 1 119 119 THR CG2 C 13 21.502 0.200 . 1 . . . . 108 THR CG2 . 26776 1 1250 . 1 1 119 119 THR N N 15 110.519 0.200 . 1 . . . . 108 THR N . 26776 1 1251 . 1 1 120 120 GLN H H 1 9.388 0.020 . 1 . . . . 109 GLN H . 26776 1 1252 . 1 1 120 120 GLN HA H 1 4.195 0.020 . 1 . . . . 109 GLN HA . 26776 1 1253 . 1 1 120 120 GLN HB2 H 1 2.220 0.020 . 2 . . . . 109 GLN HB2 . 26776 1 1254 . 1 1 120 120 GLN HB3 H 1 2.312 0.020 . 2 . . . . 109 GLN HB3 . 26776 1 1255 . 1 1 120 120 GLN HG2 H 1 2.559 0.020 . 1 . . . . 109 GLN HG2 . 26776 1 1256 . 1 1 120 120 GLN HG3 H 1 2.559 0.020 . 1 . . . . 109 GLN HG3 . 26776 1 1257 . 1 1 120 120 GLN HE21 H 1 7.615 0.020 . 1 . . . . 109 GLN HE21 . 26776 1 1258 . 1 1 120 120 GLN HE22 H 1 7.076 0.020 . 1 . . . . 109 GLN HE22 . 26776 1 1259 . 1 1 120 120 GLN C C 13 174.938 0.200 . 1 . . . . 109 GLN C . 26776 1 1260 . 1 1 120 120 GLN CA C 13 61.841 0.200 . 1 . . . . 109 GLN CA . 26776 1 1261 . 1 1 120 120 GLN CB C 13 26.144 0.200 . 1 . . . . 109 GLN CB . 26776 1 1262 . 1 1 120 120 GLN CG C 13 34.640 0.200 . 1 . . . . 109 GLN CG . 26776 1 1263 . 1 1 120 120 GLN N N 15 121.154 0.200 . 1 . . . . 109 GLN N . 26776 1 1264 . 1 1 120 120 GLN NE2 N 15 112.864 0.200 . 1 . . . . 109 GLN NE2 . 26776 1 1265 . 1 1 121 121 PRO HA H 1 4.284 0.020 . 1 . . . . 110 PRO HA . 26776 1 1266 . 1 1 121 121 PRO HB2 H 1 1.824 0.020 . 2 . . . . 110 PRO HB2 . 26776 1 1267 . 1 1 121 121 PRO HB3 H 1 2.368 0.020 . 2 . . . . 110 PRO HB3 . 26776 1 1268 . 1 1 121 121 PRO HG2 H 1 2.135 0.020 . 2 . . . . 110 PRO HG2 . 26776 1 1269 . 1 1 121 121 PRO HG3 H 1 2.019 0.020 . 2 . . . . 110 PRO HG3 . 26776 1 1270 . 1 1 121 121 PRO HD2 H 1 3.905 0.020 . 2 . . . . 110 PRO HD2 . 26776 1 1271 . 1 1 121 121 PRO HD3 H 1 3.872 0.020 . 2 . . . . 110 PRO HD3 . 26776 1 1272 . 1 1 121 121 PRO C C 13 180.044 0.200 . 1 . . . . 110 PRO C . 26776 1 1273 . 1 1 121 121 PRO CA C 13 65.821 0.200 . 1 . . . . 110 PRO CA . 26776 1 1274 . 1 1 121 121 PRO CB C 13 30.933 0.200 . 1 . . . . 110 PRO CB . 26776 1 1275 . 1 1 121 121 PRO CG C 13 28.075 0.200 . 1 . . . . 110 PRO CG . 26776 1 1276 . 1 1 121 121 PRO CD C 13 49.908 0.200 . 1 . . . . 110 PRO CD . 26776 1 1277 . 1 1 122 122 GLN H H 1 7.252 0.020 . 1 . . . . 111 GLN H . 26776 1 1278 . 1 1 122 122 GLN HA H 1 4.118 0.020 . 1 . . . . 111 GLN HA . 26776 1 1279 . 1 1 122 122 GLN HB2 H 1 2.144 0.020 . 2 . . . . 111 GLN HB2 . 26776 1 1280 . 1 1 122 122 GLN HB3 H 1 2.385 0.020 . 2 . . . . 111 GLN HB3 . 26776 1 1281 . 1 1 122 122 GLN HG2 H 1 2.349 0.020 . 2 . . . . 111 GLN HG2 . 26776 1 1282 . 1 1 122 122 GLN HG3 H 1 2.519 0.020 . 2 . . . . 111 GLN HG3 . 26776 1 1283 . 1 1 122 122 GLN HE21 H 1 7.481 0.020 . 1 . . . . 111 GLN HE21 . 26776 1 1284 . 1 1 122 122 GLN HE22 H 1 7.118 0.020 . 1 . . . . 111 GLN HE22 . 26776 1 1285 . 1 1 122 122 GLN C C 13 178.641 0.200 . 1 . . . . 111 GLN C . 26776 1 1286 . 1 1 122 122 GLN CA C 13 58.651 0.200 . 1 . . . . 111 GLN CA . 26776 1 1287 . 1 1 122 122 GLN CB C 13 28.845 0.200 . 1 . . . . 111 GLN CB . 26776 1 1288 . 1 1 122 122 GLN CG C 13 33.824 0.200 . 1 . . . . 111 GLN CG . 26776 1 1289 . 1 1 122 122 GLN N N 15 116.823 0.200 . 1 . . . . 111 GLN N . 26776 1 1290 . 1 1 122 122 GLN NE2 N 15 111.061 0.200 . 1 . . . . 111 GLN NE2 . 26776 1 1291 . 1 1 123 123 LEU H H 1 7.961 0.020 . 1 . . . . 112 LEU H . 26776 1 1292 . 1 1 123 123 LEU HA H 1 3.940 0.020 . 1 . . . . 112 LEU HA . 26776 1 1293 . 1 1 123 123 LEU HB2 H 1 1.393 0.020 . 2 . . . . 112 LEU HB2 . 26776 1 1294 . 1 1 123 123 LEU HB3 H 1 1.971 0.020 . 2 . . . . 112 LEU HB3 . 26776 1 1295 . 1 1 123 123 LEU HG H 1 1.355 0.020 . 1 . . . . 112 LEU HG . 26776 1 1296 . 1 1 123 123 LEU HD11 H 1 0.701 0.020 . 2 . . . . 112 LEU HD11 . 26776 1 1297 . 1 1 123 123 LEU HD12 H 1 0.701 0.020 . 2 . . . . 112 LEU HD12 . 26776 1 1298 . 1 1 123 123 LEU HD13 H 1 0.701 0.020 . 2 . . . . 112 LEU HD13 . 26776 1 1299 . 1 1 123 123 LEU HD21 H 1 0.547 0.020 . 2 . . . . 112 LEU HD21 . 26776 1 1300 . 1 1 123 123 LEU HD22 H 1 0.547 0.020 . 2 . . . . 112 LEU HD22 . 26776 1 1301 . 1 1 123 123 LEU HD23 H 1 0.547 0.020 . 2 . . . . 112 LEU HD23 . 26776 1 1302 . 1 1 123 123 LEU C C 13 177.789 0.200 . 1 . . . . 112 LEU C . 26776 1 1303 . 1 1 123 123 LEU CA C 13 57.578 0.200 . 1 . . . . 112 LEU CA . 26776 1 1304 . 1 1 123 123 LEU CB C 13 41.683 0.200 . 1 . . . . 112 LEU CB . 26776 1 1305 . 1 1 123 123 LEU CG C 13 27.116 0.200 . 1 . . . . 112 LEU CG . 26776 1 1306 . 1 1 123 123 LEU CD1 C 13 26.692 0.200 . 2 . . . . 112 LEU CD1 . 26776 1 1307 . 1 1 123 123 LEU CD2 C 13 22.655 0.200 . 2 . . . . 112 LEU CD2 . 26776 1 1308 . 1 1 123 123 LEU N N 15 120.011 0.200 . 1 . . . . 112 LEU N . 26776 1 1309 . 1 1 124 124 LEU H H 1 8.282 0.020 . 1 . . . . 113 LEU H . 26776 1 1310 . 1 1 124 124 LEU HA H 1 3.850 0.020 . 1 . . . . 113 LEU HA . 26776 1 1311 . 1 1 124 124 LEU HB2 H 1 1.537 0.020 . 2 . . . . 113 LEU HB2 . 26776 1 1312 . 1 1 124 124 LEU HB3 H 1 1.697 0.020 . 2 . . . . 113 LEU HB3 . 26776 1 1313 . 1 1 124 124 LEU HG H 1 1.644 0.020 . 1 . . . . 113 LEU HG . 26776 1 1314 . 1 1 124 124 LEU HD11 H 1 0.916 0.020 . 2 . . . . 113 LEU HD11 . 26776 1 1315 . 1 1 124 124 LEU HD12 H 1 0.916 0.020 . 2 . . . . 113 LEU HD12 . 26776 1 1316 . 1 1 124 124 LEU HD13 H 1 0.916 0.020 . 2 . . . . 113 LEU HD13 . 26776 1 1317 . 1 1 124 124 LEU HD21 H 1 0.855 0.020 . 2 . . . . 113 LEU HD21 . 26776 1 1318 . 1 1 124 124 LEU HD22 H 1 0.855 0.020 . 2 . . . . 113 LEU HD22 . 26776 1 1319 . 1 1 124 124 LEU HD23 H 1 0.855 0.020 . 2 . . . . 113 LEU HD23 . 26776 1 1320 . 1 1 124 124 LEU C C 13 178.822 0.200 . 1 . . . . 113 LEU C . 26776 1 1321 . 1 1 124 124 LEU CA C 13 57.553 0.200 . 1 . . . . 113 LEU CA . 26776 1 1322 . 1 1 124 124 LEU CB C 13 41.246 0.200 . 1 . . . . 113 LEU CB . 26776 1 1323 . 1 1 124 124 LEU CG C 13 26.713 0.200 . 1 . . . . 113 LEU CG . 26776 1 1324 . 1 1 124 124 LEU CD1 C 13 24.811 0.200 . 2 . . . . 113 LEU CD1 . 26776 1 1325 . 1 1 124 124 LEU CD2 C 13 23.349 0.200 . 2 . . . . 113 LEU CD2 . 26776 1 1326 . 1 1 124 124 LEU N N 15 116.822 0.200 . 1 . . . . 113 LEU N . 26776 1 1327 . 1 1 125 125 ALA H H 1 7.879 0.020 . 1 . . . . 114 ALA H . 26776 1 1328 . 1 1 125 125 ALA HA H 1 4.114 0.020 . 1 . . . . 114 ALA HA . 26776 1 1329 . 1 1 125 125 ALA HB1 H 1 1.507 0.020 . 1 . . . . 114 ALA HB1 . 26776 1 1330 . 1 1 125 125 ALA HB2 H 1 1.507 0.020 . 1 . . . . 114 ALA HB2 . 26776 1 1331 . 1 1 125 125 ALA HB3 H 1 1.507 0.020 . 1 . . . . 114 ALA HB3 . 26776 1 1332 . 1 1 125 125 ALA C C 13 180.887 0.200 . 1 . . . . 114 ALA C . 26776 1 1333 . 1 1 125 125 ALA CA C 13 55.051 0.200 . 1 . . . . 114 ALA CA . 26776 1 1334 . 1 1 125 125 ALA CB C 13 18.000 0.200 . 1 . . . . 114 ALA CB . 26776 1 1335 . 1 1 125 125 ALA N N 15 119.582 0.200 . 1 . . . . 114 ALA N . 26776 1 1336 . 1 1 126 126 VAL H H 1 7.572 0.020 . 1 . . . . 115 VAL H . 26776 1 1337 . 1 1 126 126 VAL HA H 1 3.803 0.020 . 1 . . . . 115 VAL HA . 26776 1 1338 . 1 1 126 126 VAL HB H 1 2.132 0.020 . 1 . . . . 115 VAL HB . 26776 1 1339 . 1 1 126 126 VAL HG11 H 1 1.102 0.020 . 2 . . . . 115 VAL HG11 . 26776 1 1340 . 1 1 126 126 VAL HG12 H 1 1.102 0.020 . 2 . . . . 115 VAL HG12 . 26776 1 1341 . 1 1 126 126 VAL HG13 H 1 1.102 0.020 . 2 . . . . 115 VAL HG13 . 26776 1 1342 . 1 1 126 126 VAL HG21 H 1 0.926 0.020 . 2 . . . . 115 VAL HG21 . 26776 1 1343 . 1 1 126 126 VAL HG22 H 1 0.926 0.020 . 2 . . . . 115 VAL HG22 . 26776 1 1344 . 1 1 126 126 VAL HG23 H 1 0.926 0.020 . 2 . . . . 115 VAL HG23 . 26776 1 1345 . 1 1 126 126 VAL C C 13 177.474 0.200 . 1 . . . . 115 VAL C . 26776 1 1346 . 1 1 126 126 VAL CA C 13 66.052 0.200 . 1 . . . . 115 VAL CA . 26776 1 1347 . 1 1 126 126 VAL CB C 13 31.798 0.200 . 1 . . . . 115 VAL CB . 26776 1 1348 . 1 1 126 126 VAL CG1 C 13 22.830 0.200 . 2 . . . . 115 VAL CG1 . 26776 1 1349 . 1 1 126 126 VAL CG2 C 13 20.703 0.200 . 2 . . . . 115 VAL CG2 . 26776 1 1350 . 1 1 126 126 VAL N N 15 119.020 0.200 . 1 . . . . 115 VAL N . 26776 1 1351 . 1 1 127 127 ILE H H 1 7.835 0.020 . 1 . . . . 116 ILE H . 26776 1 1352 . 1 1 127 127 ILE HA H 1 3.740 0.020 . 1 . . . . 116 ILE HA . 26776 1 1353 . 1 1 127 127 ILE HB H 1 1.752 0.020 . 1 . . . . 116 ILE HB . 26776 1 1354 . 1 1 127 127 ILE HG12 H 1 1.276 0.020 . 2 . . . . 116 ILE HG12 . 26776 1 1355 . 1 1 127 127 ILE HG13 H 1 1.061 0.020 . 2 . . . . 116 ILE HG13 . 26776 1 1356 . 1 1 127 127 ILE HG21 H 1 0.560 0.020 . 1 . . . . 116 ILE HG21 . 26776 1 1357 . 1 1 127 127 ILE HG22 H 1 0.560 0.020 . 1 . . . . 116 ILE HG22 . 26776 1 1358 . 1 1 127 127 ILE HG23 H 1 0.560 0.020 . 1 . . . . 116 ILE HG23 . 26776 1 1359 . 1 1 127 127 ILE HD11 H 1 0.356 0.020 . 1 . . . . 116 ILE HD11 . 26776 1 1360 . 1 1 127 127 ILE HD12 H 1 0.356 0.020 . 1 . . . . 116 ILE HD12 . 26776 1 1361 . 1 1 127 127 ILE HD13 H 1 0.356 0.020 . 1 . . . . 116 ILE HD13 . 26776 1 1362 . 1 1 127 127 ILE C C 13 177.393 0.200 . 1 . . . . 116 ILE C . 26776 1 1363 . 1 1 127 127 ILE CA C 13 61.701 0.200 . 1 . . . . 116 ILE CA . 26776 1 1364 . 1 1 127 127 ILE CB C 13 35.987 0.200 . 1 . . . . 116 ILE CB . 26776 1 1365 . 1 1 127 127 ILE CG1 C 13 27.533 0.200 . 1 . . . . 116 ILE CG1 . 26776 1 1366 . 1 1 127 127 ILE CG2 C 13 17.048 0.200 . 1 . . . . 116 ILE CG2 . 26776 1 1367 . 1 1 127 127 ILE CD1 C 13 9.876 0.200 . 1 . . . . 116 ILE CD1 . 26776 1 1368 . 1 1 127 127 ILE N N 15 119.856 0.200 . 1 . . . . 116 ILE N . 26776 1 1369 . 1 1 128 128 LYS H H 1 8.253 0.020 . 1 . . . . 117 LYS H . 26776 1 1370 . 1 1 128 128 LYS HA H 1 4.033 0.020 . 1 . . . . 117 LYS HA . 26776 1 1371 . 1 1 128 128 LYS HB2 H 1 1.868 0.020 . 2 . . . . 117 LYS HB2 . 26776 1 1372 . 1 1 128 128 LYS HB3 H 1 1.981 0.020 . 2 . . . . 117 LYS HB3 . 26776 1 1373 . 1 1 128 128 LYS C C 13 178.963 0.200 . 1 . . . . 117 LYS C . 26776 1 1374 . 1 1 128 128 LYS CA C 13 58.943 0.200 . 1 . . . . 117 LYS CA . 26776 1 1375 . 1 1 128 128 LYS CB C 13 31.983 0.200 . 1 . . . . 117 LYS CB . 26776 1 1376 . 1 1 128 128 LYS N N 15 120.130 0.200 . 1 . . . . 117 LYS N . 26776 1 1377 . 1 1 129 129 LYS H H 1 7.525 0.020 . 1 . . . . 118 LYS H . 26776 1 1378 . 1 1 129 129 LYS HA H 1 4.107 0.020 . 1 . . . . 118 LYS HA . 26776 1 1379 . 1 1 129 129 LYS HB2 H 1 2.020 0.020 . 2 . . . . 118 LYS HB2 . 26776 1 1380 . 1 1 129 129 LYS HB3 H 1 2.083 0.020 . 2 . . . . 118 LYS HB3 . 26776 1 1381 . 1 1 129 129 LYS HG2 H 1 1.531 0.020 . 2 . . . . 118 LYS HG2 . 26776 1 1382 . 1 1 129 129 LYS HG3 H 1 1.436 0.020 . 2 . . . . 118 LYS HG3 . 26776 1 1383 . 1 1 129 129 LYS HD2 H 1 1.728 0.020 . 1 . . . . 118 LYS HD2 . 26776 1 1384 . 1 1 129 129 LYS HD3 H 1 1.728 0.020 . 1 . . . . 118 LYS HD3 . 26776 1 1385 . 1 1 129 129 LYS HE2 H 1 3.005 0.020 . 1 . . . . 118 LYS HE2 . 26776 1 1386 . 1 1 129 129 LYS HE3 H 1 3.005 0.020 . 1 . . . . 118 LYS HE3 . 26776 1 1387 . 1 1 129 129 LYS C C 13 178.667 0.200 . 1 . . . . 118 LYS C . 26776 1 1388 . 1 1 129 129 LYS CA C 13 58.912 0.200 . 1 . . . . 118 LYS CA . 26776 1 1389 . 1 1 129 129 LYS CB C 13 32.541 0.200 . 1 . . . . 118 LYS CB . 26776 1 1390 . 1 1 129 129 LYS CG C 13 24.890 0.200 . 1 . . . . 118 LYS CG . 26776 1 1391 . 1 1 129 129 LYS CD C 13 29.018 0.200 . 1 . . . . 118 LYS CD . 26776 1 1392 . 1 1 129 129 LYS CE C 13 42.064 0.200 . 1 . . . . 118 LYS CE . 26776 1 1393 . 1 1 129 129 LYS N N 15 117.687 0.200 . 1 . . . . 118 LYS N . 26776 1 1394 . 1 1 130 130 VAL H H 1 7.844 0.020 . 1 . . . . 119 VAL H . 26776 1 1395 . 1 1 130 130 VAL HA H 1 4.263 0.020 . 1 . . . . 119 VAL HA . 26776 1 1396 . 1 1 130 130 VAL HB H 1 2.249 0.020 . 1 . . . . 119 VAL HB . 26776 1 1397 . 1 1 130 130 VAL HG11 H 1 0.974 0.020 . 2 . . . . 119 VAL HG11 . 26776 1 1398 . 1 1 130 130 VAL HG12 H 1 0.974 0.020 . 2 . . . . 119 VAL HG12 . 26776 1 1399 . 1 1 130 130 VAL HG13 H 1 0.974 0.020 . 2 . . . . 119 VAL HG13 . 26776 1 1400 . 1 1 130 130 VAL HG21 H 1 0.982 0.020 . 2 . . . . 119 VAL HG21 . 26776 1 1401 . 1 1 130 130 VAL HG22 H 1 0.982 0.020 . 2 . . . . 119 VAL HG22 . 26776 1 1402 . 1 1 130 130 VAL HG23 H 1 0.982 0.020 . 2 . . . . 119 VAL HG23 . 26776 1 1403 . 1 1 130 130 VAL C C 13 176.409 0.200 . 1 . . . . 119 VAL C . 26776 1 1404 . 1 1 130 130 VAL CA C 13 63.353 0.200 . 1 . . . . 119 VAL CA . 26776 1 1405 . 1 1 130 130 VAL CB C 13 31.914 0.200 . 1 . . . . 119 VAL CB . 26776 1 1406 . 1 1 130 130 VAL CG1 C 13 21.638 0.200 . 2 . . . . 119 VAL CG1 . 26776 1 1407 . 1 1 130 130 VAL CG2 C 13 19.512 0.200 . 2 . . . . 119 VAL CG2 . 26776 1 1408 . 1 1 130 130 VAL N N 15 111.048 0.200 . 1 . . . . 119 VAL N . 26776 1 1409 . 1 1 131 131 LEU H H 1 8.137 0.020 . 1 . . . . 120 LEU H . 26776 1 1410 . 1 1 131 131 LEU HA H 1 4.575 0.020 . 1 . . . . 120 LEU HA . 26776 1 1411 . 1 1 131 131 LEU HB2 H 1 1.725 0.020 . 2 . . . . 120 LEU HB2 . 26776 1 1412 . 1 1 131 131 LEU HB3 H 1 1.691 0.020 . 2 . . . . 120 LEU HB3 . 26776 1 1413 . 1 1 131 131 LEU HG H 1 1.582 0.020 . 1 . . . . 120 LEU HG . 26776 1 1414 . 1 1 131 131 LEU HD11 H 1 0.753 0.020 . 2 . . . . 120 LEU HD11 . 26776 1 1415 . 1 1 131 131 LEU HD12 H 1 0.753 0.020 . 2 . . . . 120 LEU HD12 . 26776 1 1416 . 1 1 131 131 LEU HD13 H 1 0.753 0.020 . 2 . . . . 120 LEU HD13 . 26776 1 1417 . 1 1 131 131 LEU HD21 H 1 0.653 0.020 . 2 . . . . 120 LEU HD21 . 26776 1 1418 . 1 1 131 131 LEU HD22 H 1 0.653 0.020 . 2 . . . . 120 LEU HD22 . 26776 1 1419 . 1 1 131 131 LEU HD23 H 1 0.653 0.020 . 2 . . . . 120 LEU HD23 . 26776 1 1420 . 1 1 131 131 LEU C C 13 176.876 0.200 . 1 . . . . 120 LEU C . 26776 1 1421 . 1 1 131 131 LEU CA C 13 55.133 0.200 . 1 . . . . 120 LEU CA . 26776 1 1422 . 1 1 131 131 LEU CB C 13 43.135 0.200 . 1 . . . . 120 LEU CB . 26776 1 1423 . 1 1 131 131 LEU CG C 13 27.054 0.200 . 1 . . . . 120 LEU CG . 26776 1 1424 . 1 1 131 131 LEU CD1 C 13 24.167 0.200 . 2 . . . . 120 LEU CD1 . 26776 1 1425 . 1 1 131 131 LEU CD2 C 13 25.600 0.200 . 2 . . . . 120 LEU CD2 . 26776 1 1426 . 1 1 131 131 LEU N N 15 120.121 0.200 . 1 . . . . 120 LEU N . 26776 1 1427 . 1 1 132 132 GLY H H 1 7.708 0.020 . 1 . . . . 121 GLY H . 26776 1 1428 . 1 1 132 132 GLY HA2 H 1 3.769 0.020 . 2 . . . . 121 GLY HA2 . 26776 1 1429 . 1 1 132 132 GLY HA3 H 1 3.951 0.020 . 2 . . . . 121 GLY HA3 . 26776 1 1430 . 1 1 132 132 GLY C C 13 179.142 0.200 . 1 . . . . 121 GLY C . 26776 1 1431 . 1 1 132 132 GLY CA C 13 46.337 0.200 . 1 . . . . 121 GLY CA . 26776 1 1432 . 1 1 132 132 GLY N N 15 114.812 0.200 . 1 . . . . 121 GLY N . 26776 1 stop_ save_