data_26777 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26777 _Entry.Title ; 1H, 13C and 15N resonance assignments for the response regulator CheY3 from Rhodobacter spheroids at pH 4.5 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 . . . . 26777 2 Christian Bell . . . . 26777 3 Judith Armitage . P. . . 26777 4 Christina Redfield . . . . 26777 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' . 26777 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' . 26777 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26777 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 538 26777 '15N chemical shifts' 125 26777 '1H chemical shifts' 838 26777 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' 26777 1 . . 2016-09-02 2016-04-12 original author 'original release' 26777 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-' 26777 BMRB 26776 'response regulator CheY3 at pH 7.25 with BeF3-' 26777 BMRB 26778 'response regulator CheY3 at pH 4.5 in the absence of BeF3-' 26777 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26777 _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 . . . . 26777 1 2 Christian Bell . . . . 26777 1 3 Judith Armitage . P. . . 26777 1 4 Christina Redfield . . . . 26777 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CheY3 26777 1 'NMR resonance assignments' 26777 1 'Rhodobacter sphaeroides' 26777 1 chemotaxis 26777 1 'response regulator' 26777 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26777 _Assembly.ID 1 _Assembly.Name CheY3_BeF3_pH4.5 _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_pH4-5 A . yes native yes no . . . 26777 1 2 Mg2+ 2 $entity_MG A . no na yes no . . . 26777 1 3 BeF3- 3 $entity_BEF A . no na yes no . . . 26777 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CheY3_BeF3_pH4-5 _Entity.Sf_category entity _Entity.Sf_framecode CheY3_BeF3_pH4-5 _Entity.Entry_ID 26777 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CheY3_BeF3_pH4.5 _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 providing only some 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 . 26777 1 2 -9 ARG . 26777 1 3 -8 GLY . 26777 1 4 -7 SER . 26777 1 5 -6 HIS . 26777 1 6 -5 HIS . 26777 1 7 -4 HIS . 26777 1 8 -3 HIS . 26777 1 9 -2 HIS . 26777 1 10 -1 HIS . 26777 1 11 0 GLY . 26777 1 12 1 SER . 26777 1 13 2 SER . 26777 1 14 3 ARG . 26777 1 15 4 THR . 26777 1 16 5 VAL . 26777 1 17 6 LEU . 26777 1 18 7 ALA . 26777 1 19 8 VAL . 26777 1 20 9 ASP . 26777 1 21 10 ASP . 26777 1 22 11 SER . 26777 1 23 12 PRO . 26777 1 24 13 SER . 26777 1 25 14 VAL . 26777 1 26 15 ARG . 26777 1 27 16 SER . 26777 1 28 17 MET . 26777 1 29 18 VAL . 26777 1 30 19 ALA . 26777 1 31 20 MET . 26777 1 32 21 THR . 26777 1 33 22 LEU . 26777 1 34 23 ARG . 26777 1 35 24 GLU . 26777 1 36 25 ALA . 26777 1 37 26 GLY . 26777 1 38 27 TYR . 26777 1 39 28 ARG . 26777 1 40 29 VAL . 26777 1 41 30 ILE . 26777 1 42 31 GLU . 26777 1 43 32 ALA . 26777 1 44 33 THR . 26777 1 45 34 ASP . 26777 1 46 35 GLY . 26777 1 47 36 ARG . 26777 1 48 37 GLU . 26777 1 49 38 GLY . 26777 1 50 39 LEU . 26777 1 51 40 GLU . 26777 1 52 41 LYS . 26777 1 53 42 ALA . 26777 1 54 43 LEU . 26777 1 55 44 SER . 26777 1 56 45 GLU . 26777 1 57 46 PRO . 26777 1 58 47 VAL . 26777 1 59 48 ASP . 26777 1 60 49 ALA . 26777 1 61 50 ILE . 26777 1 62 51 ILE . 26777 1 63 52 THR . 26777 1 64 53 ASP . 26777 1 65 54 GLN . 26777 1 66 55 ASN . 26777 1 67 56 MET . 26777 1 68 57 PRO . 26777 1 69 58 ASN . 26777 1 70 59 LEU . 26777 1 71 60 ASP . 26777 1 72 61 GLY . 26777 1 73 62 LEU . 26777 1 74 63 GLY . 26777 1 75 64 PHE . 26777 1 76 65 ILE . 26777 1 77 66 ARG . 26777 1 78 67 ALA . 26777 1 79 68 PHE . 26777 1 80 69 ARG . 26777 1 81 70 GLU . 26777 1 82 71 HIS . 26777 1 83 72 PRO . 26777 1 84 73 GLU . 26777 1 85 74 SER . 26777 1 86 75 LYS . 26777 1 87 76 GLY . 26777 1 88 77 LYS . 26777 1 89 78 PRO . 26777 1 90 79 ILE . 26777 1 91 80 ILE . 26777 1 92 81 PHE . 26777 1 93 82 LEU . 26777 1 94 83 SER . 26777 1 95 84 THR . 26777 1 96 85 ASP . 26777 1 97 86 SER . 26777 1 98 87 ALA . 26777 1 99 88 ASP . 26777 1 100 89 THR . 26777 1 101 90 LEU . 26777 1 102 91 LYS . 26777 1 103 92 GLN . 26777 1 104 93 GLN . 26777 1 105 94 ALA . 26777 1 106 95 ARG . 26777 1 107 96 GLU . 26777 1 108 97 ALA . 26777 1 109 98 GLY . 26777 1 110 99 ALA . 26777 1 111 100 MET . 26777 1 112 101 GLY . 26777 1 113 102 TRP . 26777 1 114 103 MET . 26777 1 115 104 VAL . 26777 1 116 105 LYS . 26777 1 117 106 PRO . 26777 1 118 107 PHE . 26777 1 119 108 THR . 26777 1 120 109 GLN . 26777 1 121 110 PRO . 26777 1 122 111 GLN . 26777 1 123 112 LEU . 26777 1 124 113 LEU . 26777 1 125 114 ALA . 26777 1 126 115 VAL . 26777 1 127 116 ILE . 26777 1 128 117 LYS . 26777 1 129 118 LYS . 26777 1 130 119 VAL . 26777 1 131 120 LEU . 26777 1 132 121 GLY . 26777 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 26777 1 . ARG 2 2 26777 1 . GLY 3 3 26777 1 . SER 4 4 26777 1 . HIS 5 5 26777 1 . HIS 6 6 26777 1 . HIS 7 7 26777 1 . HIS 8 8 26777 1 . HIS 9 9 26777 1 . HIS 10 10 26777 1 . GLY 11 11 26777 1 . SER 12 12 26777 1 . SER 13 13 26777 1 . ARG 14 14 26777 1 . THR 15 15 26777 1 . VAL 16 16 26777 1 . LEU 17 17 26777 1 . ALA 18 18 26777 1 . VAL 19 19 26777 1 . ASP 20 20 26777 1 . ASP 21 21 26777 1 . SER 22 22 26777 1 . PRO 23 23 26777 1 . SER 24 24 26777 1 . VAL 25 25 26777 1 . ARG 26 26 26777 1 . SER 27 27 26777 1 . MET 28 28 26777 1 . VAL 29 29 26777 1 . ALA 30 30 26777 1 . MET 31 31 26777 1 . THR 32 32 26777 1 . LEU 33 33 26777 1 . ARG 34 34 26777 1 . GLU 35 35 26777 1 . ALA 36 36 26777 1 . GLY 37 37 26777 1 . TYR 38 38 26777 1 . ARG 39 39 26777 1 . VAL 40 40 26777 1 . ILE 41 41 26777 1 . GLU 42 42 26777 1 . ALA 43 43 26777 1 . THR 44 44 26777 1 . ASP 45 45 26777 1 . GLY 46 46 26777 1 . ARG 47 47 26777 1 . GLU 48 48 26777 1 . GLY 49 49 26777 1 . LEU 50 50 26777 1 . GLU 51 51 26777 1 . LYS 52 52 26777 1 . ALA 53 53 26777 1 . LEU 54 54 26777 1 . SER 55 55 26777 1 . GLU 56 56 26777 1 . PRO 57 57 26777 1 . VAL 58 58 26777 1 . ASP 59 59 26777 1 . ALA 60 60 26777 1 . ILE 61 61 26777 1 . ILE 62 62 26777 1 . THR 63 63 26777 1 . ASP 64 64 26777 1 . GLN 65 65 26777 1 . ASN 66 66 26777 1 . MET 67 67 26777 1 . PRO 68 68 26777 1 . ASN 69 69 26777 1 . LEU 70 70 26777 1 . ASP 71 71 26777 1 . GLY 72 72 26777 1 . LEU 73 73 26777 1 . GLY 74 74 26777 1 . PHE 75 75 26777 1 . ILE 76 76 26777 1 . ARG 77 77 26777 1 . ALA 78 78 26777 1 . PHE 79 79 26777 1 . ARG 80 80 26777 1 . GLU 81 81 26777 1 . HIS 82 82 26777 1 . PRO 83 83 26777 1 . GLU 84 84 26777 1 . SER 85 85 26777 1 . LYS 86 86 26777 1 . GLY 87 87 26777 1 . LYS 88 88 26777 1 . PRO 89 89 26777 1 . ILE 90 90 26777 1 . ILE 91 91 26777 1 . PHE 92 92 26777 1 . LEU 93 93 26777 1 . SER 94 94 26777 1 . THR 95 95 26777 1 . ASP 96 96 26777 1 . SER 97 97 26777 1 . ALA 98 98 26777 1 . ASP 99 99 26777 1 . THR 100 100 26777 1 . LEU 101 101 26777 1 . LYS 102 102 26777 1 . GLN 103 103 26777 1 . GLN 104 104 26777 1 . ALA 105 105 26777 1 . ARG 106 106 26777 1 . GLU 107 107 26777 1 . ALA 108 108 26777 1 . GLY 109 109 26777 1 . ALA 110 110 26777 1 . MET 111 111 26777 1 . GLY 112 112 26777 1 . TRP 113 113 26777 1 . MET 114 114 26777 1 . VAL 115 115 26777 1 . LYS 116 116 26777 1 . PRO 117 117 26777 1 . PHE 118 118 26777 1 . THR 119 119 26777 1 . GLN 120 120 26777 1 . PRO 121 121 26777 1 . GLN 122 122 26777 1 . LEU 123 123 26777 1 . LEU 124 124 26777 1 . ALA 125 125 26777 1 . VAL 126 126 26777 1 . ILE 127 127 26777 1 . LYS 128 128 26777 1 . LYS 129 129 26777 1 . VAL 130 130 26777 1 . LEU 131 131 26777 1 . GLY 132 132 26777 1 stop_ save_ save_entity_MG _Entity.Sf_category entity _Entity.Sf_framecode entity_MG _Entity.Entry_ID 26777 _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 26777 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 26777 2 MG 'Three letter code' 26777 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 26777 2 stop_ save_ save_entity_BEF _Entity.Sf_category entity _Entity.Sf_framecode entity_BEF _Entity.Entry_ID 26777 _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 26777 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 26777 3 BEF 'Three letter code' 26777 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 26777 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 26777 _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_pH4-5 . 1063 organism . 'Rhodobacter sphaeroides' 'Rhodobacter sphaeroides' . . Bacteria . Rhodobacter sphaeroides . . . . . . . . . . . . . 26777 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 26777 _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_pH4-5 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pQE-80 . . . 26777 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 26777 _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 26777 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 26777 MG [Mg++] SMILES CACTVS 3.341 26777 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 26777 MG [Mg+2] SMILES ACDLabs 10.04 26777 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 26777 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 26777 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 26777 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 26777 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 . 26777 MG stop_ save_ save_chem_comp_BEF _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_BEF _Chem_comp.Entry_ID 26777 _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 26777 BEF F[Be-](F)F SMILES CACTVS 3.341 26777 BEF F[Be-](F)F SMILES_CANONICAL CACTVS 3.341 26777 BEF InChI=1S/Be.3FH/h;3*1H/q+2;;;/p-3 InChI InChI 1.03 26777 BEF OGIAHMCCNXDTIE-UHFFFAOYSA-K InChIKey InChI 1.03 26777 BEF [Be-](F)(F)F SMILES 'OpenEye OEToolkits' 1.5.0 26777 BEF [Be-](F)(F)F SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 26777 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 26777 BEF trifluoroberyllium 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 26777 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 . 26777 BEF F1 F1 F1 F1 . F . . N 0 . . . 1 no no . . . . 31.324 . 57.364 . 23.232 . . . . 2 . 26777 BEF F2 F2 F2 F2 . F . . N 0 . . . 1 no no . . . . 33.110 . 58.885 . 24.291 . . . . 3 . 26777 BEF F3 F3 F3 F3 . F . . N 0 . . . 1 no no . . . . 32.321 . 59.297 . 21.951 . . . . 4 . 26777 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 . 26777 BEF 2 . SING BE F2 no N 2 . 26777 BEF 3 . SING BE F3 no N 3 . 26777 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 26777 _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_pH4.5 '[U-99% 15N]' . . 1 $CheY3_BeF3_pH4-5 . . 2 . . mM . . . . 26777 1 2 Mg2+ 'natural abundance' . . 2 $entity_MG . . 2 . . mM . . . . 26777 1 3 BeF3- 'natural abundance' . . 3 $entity_BEF . . 4.5 . . mM . . . . 26777 1 4 'Sodium Acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 26777 1 stop_ save_ save_sample_2_15N_13C _Sample.Sf_category sample _Sample.Sf_framecode sample_2_15N_13C _Sample.Entry_ID 26777 _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_pH4.5 '[U-99% 13C; U-99% 15N]' . . 1 $CheY3_BeF3_pH4-5 . . 2 . . mM . . . . 26777 2 2 Mg2+ 'natural abundance' . . 2 $entity_MG . . 2 . . mM . . . . 26777 2 3 BeF3- 'natural abundance' . . 3 $entity_BEF . . 4.5 . . mM . . . . 26777 2 4 'Sodium Acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 26777 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 26777 _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 4.5 . pH 26777 1 pressure 1 . atm 26777 1 temperature 293 . K 26777 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26777 _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' . . 26777 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26777 1 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 26777 _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 . . 26777 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26777 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 26777 _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 26777 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'home-built console and room temperature probe using GE OMEGA software' _NMR_spectrometer.Manufacturer Home-built _NMR_spectrometer.Model OMEGA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_Omega_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Omega_600 _NMR_spectrometer.Entry_ID 26777 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'home-built console and room temperature probe using GE OMEGA software' _NMR_spectrometer.Manufacturer Home-built _NMR_spectrometer.Model OMEGA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26777 _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' . . 26777 1 2 Omega_750 Home-built OMEGA . 750 'home-built console and room temperature probe using GE OMEGA software' . . 26777 1 3 Omega_600 Home-built OMEGA . 600 'home-built console and room temperature probe using GE OMEGA software' . . 26777 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 26777 _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_600 . . . . . . . . . . . . . . . . 26777 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1_15N isotropic . . 1 $sample_conditions_1 . . . 3 $Omega_600 . . . . . . . . . . . . . . . . 26777 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2_15N_13C isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_500 . . . . . . . . . . . . . . . . 26777 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2_15N_13C isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_500 . . . . . . . . . . . . . . . . 26777 1 5 '3D CBCANH' no . . . . . . . . . . 2 $sample_2_15N_13C isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_500 . . . . . . . . . . . . . . . . 26777 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2_15N_13C isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_500 . . . . . . . . . . . . . . . . 26777 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2_15N_13C isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_500 . . . . . . . . . . . . . . . . 26777 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2_15N_13C isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_500 . . . . . . . . . . . . . . . . 26777 1 9 '3D HNCACO' no . . . . . . . . . . 2 $sample_2_15N_13C isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_500 . . . . . . . . . . . . . . . . 26777 1 10 '3D HNCO' no . . . . . . . . . . 2 $sample_2_15N_13C isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_500 . . . . . . . . . . . . . . . . 26777 1 11 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1_15N isotropic . . 1 $sample_conditions_1 . . . 3 $Omega_600 . . . . . . . . . . . . . . . . 26777 1 12 '3D (H)C(CCO)NH' no . . . . . . . . . . 2 $sample_2_15N_13C isotropic . . 1 $sample_conditions_1 . . . 2 $Omega_750 . . . . . . . . . . . . . . . . 26777 1 13 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2_15N_13C isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_500 . . . . . . . . . . . . . . . . 26777 1 14 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2_15N_13C isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_500 . . . . . . . . . . . . . . . . 26777 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 26777 _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 . . . . . 26777 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 1.000000000 . . . . . 26777 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26777 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 26777 _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' . . . 26777 1 2 '3D 1H-15N NOESY' . . . 26777 1 3 '2D 1H-15N HSQC' . . . 26777 1 4 '3D HNCA' . . . 26777 1 5 '3D CBCANH' . . . 26777 1 6 '3D CBCA(CO)NH' . . . 26777 1 7 '3D HBHA(CO)NH' . . . 26777 1 8 '3D HCCH-TOCSY' . . . 26777 1 9 '3D HNCACO' . . . 26777 1 10 '3D HNCO' . . . 26777 1 11 '3D 1H-15N TOCSY' . . . 26777 1 12 '3D (H)C(CCO)NH' . . . 26777 1 13 '2D 1H-13C HSQC aliphatic' . . . 26777 1 14 '3D H(CCO)NH' . . . 26777 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 . . 26777 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 2 2 ARG HA H 1 4.425 0.020 . 1 . . . . -9 ARG HA . 26777 1 2 . 1 1 2 2 ARG HB2 H 1 1.863 0.020 . 1 . . . . -9 ARG HB2 . 26777 1 3 . 1 1 2 2 ARG C C 13 176.439 0.200 . 1 . . . . -9 ARG C . 26777 1 4 . 1 1 2 2 ARG CA C 13 56.629 0.200 . 1 . . . . -9 ARG CA . 26777 1 5 . 1 1 2 2 ARG CB C 13 30.832 0.200 . 1 . . . . -9 ARG CB . 26777 1 6 . 1 1 3 3 GLY H H 1 8.618 0.020 . 1 . . . . -8 GLY H . 26777 1 7 . 1 1 3 3 GLY HA2 H 1 3.986 0.020 . 1 . . . . -8 GLY HA2 . 26777 1 8 . 1 1 3 3 GLY HA3 H 1 3.986 0.020 . 1 . . . . -8 GLY HA3 . 26777 1 9 . 1 1 3 3 GLY C C 13 173.921 0.200 . 1 . . . . -8 GLY C . 26777 1 10 . 1 1 3 3 GLY CA C 13 45.219 0.200 . 1 . . . . -8 GLY CA . 26777 1 11 . 1 1 3 3 GLY N N 15 110.970 0.200 . 1 . . . . -8 GLY N . 26777 1 12 . 1 1 4 4 SER H H 1 8.224 0.020 . 1 . . . . -7 SER H . 26777 1 13 . 1 1 4 4 SER HA H 1 4.385 0.020 . 1 . . . . -7 SER HA . 26777 1 14 . 1 1 4 4 SER HB3 H 1 3.761 0.020 . 1 . . . . -7 SER HB3 . 26777 1 15 . 1 1 4 4 SER C C 13 174.488 0.200 . 1 . . . . -7 SER C . 26777 1 16 . 1 1 4 4 SER CA C 13 58.184 0.200 . 1 . . . . -7 SER CA . 26777 1 17 . 1 1 4 4 SER CB C 13 63.997 0.200 . 1 . . . . -7 SER CB . 26777 1 18 . 1 1 4 4 SER N N 15 115.038 0.200 . 1 . . . . -7 SER N . 26777 1 19 . 1 1 5 5 HIS CA C 13 55.309 0.200 . 1 . . . . -6 HIS CA . 26777 1 20 . 1 1 5 5 HIS CB C 13 29.067 0.200 . 1 . . . . -6 HIS CB . 26777 1 21 . 1 1 10 10 HIS HA H 1 4.691 0.020 . 1 . . . . -1 HIS HA . 26777 1 22 . 1 1 10 10 HIS HB2 H 1 3.214 0.020 . 1 . . . . -1 HIS HB2 . 26777 1 23 . 1 1 10 10 HIS C C 13 174.748 0.200 . 1 . . . . -1 HIS C . 26777 1 24 . 1 1 10 10 HIS CA C 13 55.613 0.200 . 1 . . . . -1 HIS CA . 26777 1 25 . 1 1 10 10 HIS CB C 13 29.420 0.200 . 1 . . . . -1 HIS CB . 26777 1 26 . 1 1 11 11 GLY H H 1 8.551 0.020 . 1 . . . . 0 GLY H . 26777 1 27 . 1 1 11 11 GLY HA2 H 1 4.001 0.020 . 2 . . . . 0 GLY HA2 . 26777 1 28 . 1 1 11 11 GLY HA3 H 1 4.007 0.020 . 2 . . . . 0 GLY HA3 . 26777 1 29 . 1 1 11 11 GLY C C 13 173.997 0.200 . 1 . . . . 0 GLY C . 26777 1 30 . 1 1 11 11 GLY CA C 13 45.173 0.200 . 1 . . . . 0 GLY CA . 26777 1 31 . 1 1 11 11 GLY N N 15 111.184 0.200 . 1 . . . . 0 GLY N . 26777 1 32 . 1 1 12 12 SER H H 1 8.379 0.020 . 1 . . . . 1 SER H . 26777 1 33 . 1 1 12 12 SER HA H 1 4.497 0.020 . 1 . . . . 1 SER HA . 26777 1 34 . 1 1 12 12 SER HB2 H 1 3.875 0.020 . 2 . . . . 1 SER HB2 . 26777 1 35 . 1 1 12 12 SER HB3 H 1 3.865 0.020 . 2 . . . . 1 SER HB3 . 26777 1 36 . 1 1 12 12 SER C C 13 174.590 0.200 . 1 . . . . 1 SER C . 26777 1 37 . 1 1 12 12 SER CA C 13 58.456 0.200 . 1 . . . . 1 SER CA . 26777 1 38 . 1 1 12 12 SER CB C 13 64.140 0.200 . 1 . . . . 1 SER CB . 26777 1 39 . 1 1 12 12 SER N N 15 115.775 0.200 . 1 . . . . 1 SER N . 26777 1 40 . 1 1 13 13 SER H H 1 8.381 0.020 . 1 . . . . 2 SER H . 26777 1 41 . 1 1 13 13 SER HA H 1 4.529 0.020 . 1 . . . . 2 SER HA . 26777 1 42 . 1 1 13 13 SER HB2 H 1 3.823 0.020 . 2 . . . . 2 SER HB2 . 26777 1 43 . 1 1 13 13 SER HB3 H 1 3.825 0.020 . 2 . . . . 2 SER HB3 . 26777 1 44 . 1 1 13 13 SER C C 13 174.311 0.200 . 1 . . . . 2 SER C . 26777 1 45 . 1 1 13 13 SER CA C 13 58.404 0.200 . 1 . . . . 2 SER CA . 26777 1 46 . 1 1 13 13 SER CB C 13 64.191 0.200 . 1 . . . . 2 SER CB . 26777 1 47 . 1 1 13 13 SER N N 15 117.736 0.200 . 1 . . . . 2 SER N . 26777 1 48 . 1 1 14 14 ARG H H 1 8.601 0.020 . 1 . . . . 3 ARG H . 26777 1 49 . 1 1 14 14 ARG HA H 1 4.650 0.020 . 1 . . . . 3 ARG HA . 26777 1 50 . 1 1 14 14 ARG HB2 H 1 1.891 0.020 . 2 . . . . 3 ARG HB2 . 26777 1 51 . 1 1 14 14 ARG HB3 H 1 1.741 0.020 . 2 . . . . 3 ARG HB3 . 26777 1 52 . 1 1 14 14 ARG HG2 H 1 1.737 0.020 . 1 . . . . 3 ARG HG2 . 26777 1 53 . 1 1 14 14 ARG HG3 H 1 1.737 0.020 . 1 . . . . 3 ARG HG3 . 26777 1 54 . 1 1 14 14 ARG HD2 H 1 3.065 0.020 . 2 . . . . 3 ARG HD2 . 26777 1 55 . 1 1 14 14 ARG HD3 H 1 3.203 0.020 . 2 . . . . 3 ARG HD3 . 26777 1 56 . 1 1 14 14 ARG C C 13 175.418 0.200 . 1 . . . . 3 ARG C . 26777 1 57 . 1 1 14 14 ARG CA C 13 55.378 0.200 . 1 . . . . 3 ARG CA . 26777 1 58 . 1 1 14 14 ARG CB C 13 32.316 0.200 . 1 . . . . 3 ARG CB . 26777 1 59 . 1 1 14 14 ARG CG C 13 27.457 0.200 . 1 . . . . 3 ARG CG . 26777 1 60 . 1 1 14 14 ARG CD C 13 43.473 0.200 . 1 . . . . 3 ARG CD . 26777 1 61 . 1 1 14 14 ARG N N 15 123.449 0.200 . 1 . . . . 3 ARG N . 26777 1 62 . 1 1 15 15 THR H H 1 9.914 0.020 . 1 . . . . 4 THR H . 26777 1 63 . 1 1 15 15 THR HA H 1 5.220 0.020 . 1 . . . . 4 THR HA . 26777 1 64 . 1 1 15 15 THR HB H 1 4.061 0.020 . 1 . . . . 4 THR HB . 26777 1 65 . 1 1 15 15 THR HG21 H 1 1.023 0.020 . 1 . . . . 4 THR HG21 . 26777 1 66 . 1 1 15 15 THR HG22 H 1 1.023 0.020 . 1 . . . . 4 THR HG22 . 26777 1 67 . 1 1 15 15 THR HG23 H 1 1.023 0.020 . 1 . . . . 4 THR HG23 . 26777 1 68 . 1 1 15 15 THR C C 13 174.136 0.200 . 1 . . . . 4 THR C . 26777 1 69 . 1 1 15 15 THR CA C 13 62.169 0.200 . 1 . . . . 4 THR CA . 26777 1 70 . 1 1 15 15 THR CB C 13 70.525 0.200 . 1 . . . . 4 THR CB . 26777 1 71 . 1 1 15 15 THR CG2 C 13 21.973 0.200 . 1 . . . . 4 THR CG2 . 26777 1 72 . 1 1 15 15 THR N N 15 119.343 0.200 . 1 . . . . 4 THR N . 26777 1 73 . 1 1 16 16 VAL H H 1 9.393 0.020 . 1 . . . . 5 VAL H . 26777 1 74 . 1 1 16 16 VAL HA H 1 4.559 0.020 . 1 . . . . 5 VAL HA . 26777 1 75 . 1 1 16 16 VAL HB H 1 1.695 0.020 . 1 . . . . 5 VAL HB . 26777 1 76 . 1 1 16 16 VAL HG11 H 1 0.495 0.020 . 2 . . . . 5 VAL HG11 . 26777 1 77 . 1 1 16 16 VAL HG12 H 1 0.495 0.020 . 2 . . . . 5 VAL HG12 . 26777 1 78 . 1 1 16 16 VAL HG13 H 1 0.495 0.020 . 2 . . . . 5 VAL HG13 . 26777 1 79 . 1 1 16 16 VAL HG21 H 1 0.489 0.020 . 2 . . . . 5 VAL HG21 . 26777 1 80 . 1 1 16 16 VAL HG22 H 1 0.489 0.020 . 2 . . . . 5 VAL HG22 . 26777 1 81 . 1 1 16 16 VAL HG23 H 1 0.489 0.020 . 2 . . . . 5 VAL HG23 . 26777 1 82 . 1 1 16 16 VAL C C 13 173.444 0.200 . 1 . . . . 5 VAL C . 26777 1 83 . 1 1 16 16 VAL CA C 13 60.133 0.200 . 1 . . . . 5 VAL CA . 26777 1 84 . 1 1 16 16 VAL CB C 13 34.711 0.200 . 1 . . . . 5 VAL CB . 26777 1 85 . 1 1 16 16 VAL CG1 C 13 20.887 0.200 . 2 . . . . 5 VAL CG1 . 26777 1 86 . 1 1 16 16 VAL CG2 C 13 21.023 0.200 . 2 . . . . 5 VAL CG2 . 26777 1 87 . 1 1 16 16 VAL N N 15 128.933 0.200 . 1 . . . . 5 VAL N . 26777 1 88 . 1 1 17 17 LEU H H 1 8.258 0.020 . 1 . . . . 6 LEU H . 26777 1 89 . 1 1 17 17 LEU HA H 1 5.038 0.020 . 1 . . . . 6 LEU HA . 26777 1 90 . 1 1 17 17 LEU HB2 H 1 1.115 0.020 . 2 . . . . 6 LEU HB2 . 26777 1 91 . 1 1 17 17 LEU HB3 H 1 1.788 0.020 . 2 . . . . 6 LEU HB3 . 26777 1 92 . 1 1 17 17 LEU HG H 1 1.297 0.020 . 1 . . . . 6 LEU HG . 26777 1 93 . 1 1 17 17 LEU HD11 H 1 0.709 0.020 . 2 . . . . 6 LEU HD11 . 26777 1 94 . 1 1 17 17 LEU HD12 H 1 0.709 0.020 . 2 . . . . 6 LEU HD12 . 26777 1 95 . 1 1 17 17 LEU HD13 H 1 0.709 0.020 . 2 . . . . 6 LEU HD13 . 26777 1 96 . 1 1 17 17 LEU HD21 H 1 0.542 0.020 . 2 . . . . 6 LEU HD21 . 26777 1 97 . 1 1 17 17 LEU HD22 H 1 0.542 0.020 . 2 . . . . 6 LEU HD22 . 26777 1 98 . 1 1 17 17 LEU HD23 H 1 0.542 0.020 . 2 . . . . 6 LEU HD23 . 26777 1 99 . 1 1 17 17 LEU C C 13 172.571 0.200 . 1 . . . . 6 LEU C . 26777 1 100 . 1 1 17 17 LEU CA C 13 52.989 0.200 . 1 . . . . 6 LEU CA . 26777 1 101 . 1 1 17 17 LEU CB C 13 44.505 0.200 . 1 . . . . 6 LEU CB . 26777 1 102 . 1 1 17 17 LEU CG C 13 27.392 0.200 . 1 . . . . 6 LEU CG . 26777 1 103 . 1 1 17 17 LEU CD1 C 13 27.372 0.200 . 2 . . . . 6 LEU CD1 . 26777 1 104 . 1 1 17 17 LEU CD2 C 13 23.639 0.200 . 2 . . . . 6 LEU CD2 . 26777 1 105 . 1 1 17 17 LEU N N 15 128.805 0.200 . 1 . . . . 6 LEU N . 26777 1 106 . 1 1 18 18 ALA H H 1 9.030 0.020 . 1 . . . . 7 ALA H . 26777 1 107 . 1 1 18 18 ALA HA H 1 5.260 0.020 . 1 . . . . 7 ALA HA . 26777 1 108 . 1 1 18 18 ALA HB1 H 1 1.048 0.020 . 1 . . . . 7 ALA HB1 . 26777 1 109 . 1 1 18 18 ALA HB2 H 1 1.048 0.020 . 1 . . . . 7 ALA HB2 . 26777 1 110 . 1 1 18 18 ALA HB3 H 1 1.048 0.020 . 1 . . . . 7 ALA HB3 . 26777 1 111 . 1 1 18 18 ALA C C 13 175.149 0.200 . 1 . . . . 7 ALA C . 26777 1 112 . 1 1 18 18 ALA CA C 13 50.193 0.200 . 1 . . . . 7 ALA CA . 26777 1 113 . 1 1 18 18 ALA CB C 13 20.444 0.200 . 1 . . . . 7 ALA CB . 26777 1 114 . 1 1 18 18 ALA N N 15 131.770 0.200 . 1 . . . . 7 ALA N . 26777 1 115 . 1 1 19 19 VAL H H 1 8.565 0.020 . 1 . . . . 8 VAL H . 26777 1 116 . 1 1 19 19 VAL HA H 1 4.590 0.020 . 1 . . . . 8 VAL HA . 26777 1 117 . 1 1 19 19 VAL HB H 1 2.326 0.020 . 1 . . . . 8 VAL HB . 26777 1 118 . 1 1 19 19 VAL HG11 H 1 0.623 0.020 . 2 . . . . 8 VAL HG11 . 26777 1 119 . 1 1 19 19 VAL HG12 H 1 0.623 0.020 . 2 . . . . 8 VAL HG12 . 26777 1 120 . 1 1 19 19 VAL HG13 H 1 0.623 0.020 . 2 . . . . 8 VAL HG13 . 26777 1 121 . 1 1 19 19 VAL HG21 H 1 0.359 0.020 . 2 . . . . 8 VAL HG21 . 26777 1 122 . 1 1 19 19 VAL HG22 H 1 0.359 0.020 . 2 . . . . 8 VAL HG22 . 26777 1 123 . 1 1 19 19 VAL HG23 H 1 0.359 0.020 . 2 . . . . 8 VAL HG23 . 26777 1 124 . 1 1 19 19 VAL C C 13 174.685 0.200 . 1 . . . . 8 VAL C . 26777 1 125 . 1 1 19 19 VAL CA C 13 60.183 0.200 . 1 . . . . 8 VAL CA . 26777 1 126 . 1 1 19 19 VAL CB C 13 32.719 0.200 . 1 . . . . 8 VAL CB . 26777 1 127 . 1 1 19 19 VAL CG1 C 13 21.150 0.200 . 2 . . . . 8 VAL CG1 . 26777 1 128 . 1 1 19 19 VAL CG2 C 13 22.231 0.200 . 2 . . . . 8 VAL CG2 . 26777 1 129 . 1 1 19 19 VAL N N 15 123.096 0.200 . 1 . . . . 8 VAL N . 26777 1 130 . 1 1 20 20 ASP H H 1 7.778 0.020 . 1 . . . . 9 ASP H . 26777 1 131 . 1 1 20 20 ASP HA H 1 4.564 0.020 . 1 . . . . 9 ASP HA . 26777 1 132 . 1 1 20 20 ASP HB2 H 1 2.807 0.020 . 2 . . . . 9 ASP HB2 . 26777 1 133 . 1 1 20 20 ASP HB3 H 1 2.326 0.020 . 2 . . . . 9 ASP HB3 . 26777 1 134 . 1 1 20 20 ASP C C 13 174.480 0.200 . 1 . . . . 9 ASP C . 26777 1 135 . 1 1 20 20 ASP CA C 13 55.418 0.200 . 1 . . . . 9 ASP CA . 26777 1 136 . 1 1 20 20 ASP CB C 13 43.822 0.200 . 1 . . . . 9 ASP CB . 26777 1 137 . 1 1 20 20 ASP N N 15 122.895 0.200 . 1 . . . . 9 ASP N . 26777 1 138 . 1 1 21 21 ASP H H 1 9.070 0.020 . 1 . . . . 10 ASP H . 26777 1 139 . 1 1 21 21 ASP HA H 1 4.916 0.020 . 1 . . . . 10 ASP HA . 26777 1 140 . 1 1 21 21 ASP HB2 H 1 2.777 0.020 . 2 . . . . 10 ASP HB2 . 26777 1 141 . 1 1 21 21 ASP HB3 H 1 2.941 0.020 . 2 . . . . 10 ASP HB3 . 26777 1 142 . 1 1 21 21 ASP C C 13 176.163 0.200 . 1 . . . . 10 ASP C . 26777 1 143 . 1 1 21 21 ASP CA C 13 55.369 0.200 . 1 . . . . 10 ASP CA . 26777 1 144 . 1 1 21 21 ASP CB C 13 40.102 0.200 . 1 . . . . 10 ASP CB . 26777 1 145 . 1 1 21 21 ASP N N 15 123.875 0.200 . 1 . . . . 10 ASP N . 26777 1 146 . 1 1 22 22 SER H H 1 10.538 0.020 . 1 . . . . 11 SER H . 26777 1 147 . 1 1 22 22 SER HA H 1 5.057 0.020 . 1 . . . . 11 SER HA . 26777 1 148 . 1 1 22 22 SER HB2 H 1 3.942 0.020 . 1 . . . . 11 SER HB2 . 26777 1 149 . 1 1 22 22 SER HB3 H 1 3.942 0.020 . 1 . . . . 11 SER HB3 . 26777 1 150 . 1 1 22 22 SER C C 13 174.389 0.200 . 1 . . . . 11 SER C . 26777 1 151 . 1 1 22 22 SER CA C 13 54.176 0.200 . 1 . . . . 11 SER CA . 26777 1 152 . 1 1 22 22 SER CB C 13 62.981 0.200 . 1 . . . . 11 SER CB . 26777 1 153 . 1 1 22 22 SER N N 15 121.115 0.200 . 1 . . . . 11 SER N . 26777 1 154 . 1 1 23 23 PRO HA H 1 4.102 0.020 . 1 . . . . 12 PRO HA . 26777 1 155 . 1 1 23 23 PRO HB2 H 1 2.061 0.020 . 2 . . . . 12 PRO HB2 . 26777 1 156 . 1 1 23 23 PRO HB3 H 1 2.407 0.020 . 2 . . . . 12 PRO HB3 . 26777 1 157 . 1 1 23 23 PRO HG2 H 1 2.212 0.020 . 2 . . . . 12 PRO HG2 . 26777 1 158 . 1 1 23 23 PRO HG3 H 1 2.100 0.020 . 2 . . . . 12 PRO HG3 . 26777 1 159 . 1 1 23 23 PRO HD2 H 1 4.153 0.020 . 2 . . . . 12 PRO HD2 . 26777 1 160 . 1 1 23 23 PRO HD3 H 1 4.344 0.020 . 2 . . . . 12 PRO HD3 . 26777 1 161 . 1 1 23 23 PRO C C 13 179.281 0.200 . 1 . . . . 12 PRO C . 26777 1 162 . 1 1 23 23 PRO CA C 13 64.915 0.200 . 1 . . . . 12 PRO CA . 26777 1 163 . 1 1 23 23 PRO CB C 13 32.066 0.200 . 1 . . . . 12 PRO CB . 26777 1 164 . 1 1 23 23 PRO CG C 13 27.470 0.200 . 1 . . . . 12 PRO CG . 26777 1 165 . 1 1 23 23 PRO CD C 13 51.377 0.200 . 1 . . . . 12 PRO CD . 26777 1 166 . 1 1 24 24 SER H H 1 7.835 0.020 . 1 . . . . 13 SER H . 26777 1 167 . 1 1 24 24 SER HA H 1 4.217 0.020 . 1 . . . . 13 SER HA . 26777 1 168 . 1 1 24 24 SER HB2 H 1 3.845 0.020 . 1 . . . . 13 SER HB2 . 26777 1 169 . 1 1 24 24 SER HB3 H 1 3.845 0.020 . 1 . . . . 13 SER HB3 . 26777 1 170 . 1 1 24 24 SER C C 13 177.440 0.200 . 1 . . . . 13 SER C . 26777 1 171 . 1 1 24 24 SER CA C 13 61.098 0.200 . 1 . . . . 13 SER CA . 26777 1 172 . 1 1 24 24 SER CB C 13 62.227 0.200 . 1 . . . . 13 SER CB . 26777 1 173 . 1 1 24 24 SER N N 15 113.104 0.200 . 1 . . . . 13 SER N . 26777 1 174 . 1 1 25 25 VAL H H 1 7.422 0.020 . 1 . . . . 14 VAL H . 26777 1 175 . 1 1 25 25 VAL HA H 1 3.791 0.020 . 1 . . . . 14 VAL HA . 26777 1 176 . 1 1 25 25 VAL HB H 1 1.896 0.020 . 1 . . . . 14 VAL HB . 26777 1 177 . 1 1 25 25 VAL HG11 H 1 1.018 0.020 . 2 . . . . 14 VAL HG11 . 26777 1 178 . 1 1 25 25 VAL HG12 H 1 1.018 0.020 . 2 . . . . 14 VAL HG12 . 26777 1 179 . 1 1 25 25 VAL HG13 H 1 1.018 0.020 . 2 . . . . 14 VAL HG13 . 26777 1 180 . 1 1 25 25 VAL HG21 H 1 0.927 0.020 . 2 . . . . 14 VAL HG21 . 26777 1 181 . 1 1 25 25 VAL HG22 H 1 0.927 0.020 . 2 . . . . 14 VAL HG22 . 26777 1 182 . 1 1 25 25 VAL HG23 H 1 0.927 0.020 . 2 . . . . 14 VAL HG23 . 26777 1 183 . 1 1 25 25 VAL C C 13 177.858 0.200 . 1 . . . . 14 VAL C . 26777 1 184 . 1 1 25 25 VAL CA C 13 66.129 0.200 . 1 . . . . 14 VAL CA . 26777 1 185 . 1 1 25 25 VAL CB C 13 32.091 0.200 . 1 . . . . 14 VAL CB . 26777 1 186 . 1 1 25 25 VAL CG1 C 13 22.528 0.200 . 2 . . . . 14 VAL CG1 . 26777 1 187 . 1 1 25 25 VAL CG2 C 13 20.938 0.200 . 2 . . . . 14 VAL CG2 . 26777 1 188 . 1 1 25 25 VAL N N 15 124.036 0.200 . 1 . . . . 14 VAL N . 26777 1 189 . 1 1 26 26 ARG H H 1 7.965 0.020 . 1 . . . . 15 ARG H . 26777 1 190 . 1 1 26 26 ARG HA H 1 3.751 0.020 . 1 . . . . 15 ARG HA . 26777 1 191 . 1 1 26 26 ARG HB2 H 1 1.699 0.020 . 2 . . . . 15 ARG HB2 . 26777 1 192 . 1 1 26 26 ARG HB3 H 1 1.863 0.020 . 2 . . . . 15 ARG HB3 . 26777 1 193 . 1 1 26 26 ARG HG2 H 1 1.892 0.020 . 2 . . . . 15 ARG HG2 . 26777 1 194 . 1 1 26 26 ARG HG3 H 1 1.244 0.020 . 2 . . . . 15 ARG HG3 . 26777 1 195 . 1 1 26 26 ARG HD2 H 1 2.985 0.020 . 1 . . . . 15 ARG HD2 . 26777 1 196 . 1 1 26 26 ARG HD3 H 1 2.985 0.020 . 1 . . . . 15 ARG HD3 . 26777 1 197 . 1 1 26 26 ARG C C 13 178.378 0.200 . 1 . . . . 15 ARG C . 26777 1 198 . 1 1 26 26 ARG CA C 13 60.970 0.200 . 1 . . . . 15 ARG CA . 26777 1 199 . 1 1 26 26 ARG CB C 13 30.900 0.200 . 1 . . . . 15 ARG CB . 26777 1 200 . 1 1 26 26 ARG CG C 13 28.571 0.200 . 1 . . . . 15 ARG CG . 26777 1 201 . 1 1 26 26 ARG CD C 13 44.014 0.200 . 1 . . . . 15 ARG CD . 26777 1 202 . 1 1 26 26 ARG N N 15 117.306 0.200 . 1 . . . . 15 ARG N . 26777 1 203 . 1 1 27 27 SER H H 1 8.044 0.020 . 1 . . . . 16 SER H . 26777 1 204 . 1 1 27 27 SER HA H 1 4.223 0.020 . 1 . . . . 16 SER HA . 26777 1 205 . 1 1 27 27 SER HB2 H 1 3.831 0.020 . 2 . . . . 16 SER HB2 . 26777 1 206 . 1 1 27 27 SER HB3 H 1 3.963 0.020 . 2 . . . . 16 SER HB3 . 26777 1 207 . 1 1 27 27 SER C C 13 176.741 0.200 . 1 . . . . 16 SER C . 26777 1 208 . 1 1 27 27 SER CA C 13 61.448 0.200 . 1 . . . . 16 SER CA . 26777 1 209 . 1 1 27 27 SER CB C 13 62.751 0.200 . 1 . . . . 16 SER CB . 26777 1 210 . 1 1 27 27 SER N N 15 110.407 0.200 . 1 . . . . 16 SER N . 26777 1 211 . 1 1 28 28 MET H H 1 7.655 0.020 . 1 . . . . 17 MET H . 26777 1 212 . 1 1 28 28 MET HA H 1 4.327 0.020 . 1 . . . . 17 MET HA . 26777 1 213 . 1 1 28 28 MET HB2 H 1 2.518 0.020 . 2 . . . . 17 MET HB2 . 26777 1 214 . 1 1 28 28 MET HB3 H 1 2.704 0.020 . 2 . . . . 17 MET HB3 . 26777 1 215 . 1 1 28 28 MET HG2 H 1 2.206 0.020 . 2 . . . . 17 MET HG2 . 26777 1 216 . 1 1 28 28 MET HG3 H 1 2.340 0.020 . 2 . . . . 17 MET HG3 . 26777 1 217 . 1 1 28 28 MET C C 13 179.885 0.200 . 1 . . . . 17 MET C . 26777 1 218 . 1 1 28 28 MET CA C 13 59.159 0.200 . 1 . . . . 17 MET CA . 26777 1 219 . 1 1 28 28 MET CB C 13 32.432 0.200 . 1 . . . . 17 MET CB . 26777 1 220 . 1 1 28 28 MET CG C 13 32.242 0.200 . 1 . . . . 17 MET CG . 26777 1 221 . 1 1 28 28 MET N N 15 121.760 0.200 . 1 . . . . 17 MET N . 26777 1 222 . 1 1 29 29 VAL H H 1 8.908 0.020 . 1 . . . . 18 VAL H . 26777 1 223 . 1 1 29 29 VAL HA H 1 3.310 0.020 . 1 . . . . 18 VAL HA . 26777 1 224 . 1 1 29 29 VAL HB H 1 2.032 0.020 . 1 . . . . 18 VAL HB . 26777 1 225 . 1 1 29 29 VAL HG11 H 1 0.642 0.020 . 2 . . . . 18 VAL HG11 . 26777 1 226 . 1 1 29 29 VAL HG12 H 1 0.642 0.020 . 2 . . . . 18 VAL HG12 . 26777 1 227 . 1 1 29 29 VAL HG13 H 1 0.642 0.020 . 2 . . . . 18 VAL HG13 . 26777 1 228 . 1 1 29 29 VAL HG21 H 1 0.827 0.020 . 2 . . . . 18 VAL HG21 . 26777 1 229 . 1 1 29 29 VAL HG22 H 1 0.827 0.020 . 2 . . . . 18 VAL HG22 . 26777 1 230 . 1 1 29 29 VAL HG23 H 1 0.827 0.020 . 2 . . . . 18 VAL HG23 . 26777 1 231 . 1 1 29 29 VAL C C 13 177.229 0.200 . 1 . . . . 18 VAL C . 26777 1 232 . 1 1 29 29 VAL CA C 13 67.181 0.200 . 1 . . . . 18 VAL CA . 26777 1 233 . 1 1 29 29 VAL CB C 13 32.058 0.200 . 1 . . . . 18 VAL CB . 26777 1 234 . 1 1 29 29 VAL CG1 C 13 21.629 0.200 . 2 . . . . 18 VAL CG1 . 26777 1 235 . 1 1 29 29 VAL CG2 C 13 23.067 0.200 . 2 . . . . 18 VAL CG2 . 26777 1 236 . 1 1 29 29 VAL N N 15 123.467 0.200 . 1 . . . . 18 VAL N . 26777 1 237 . 1 1 30 30 ALA H H 1 8.659 0.020 . 1 . . . . 19 ALA H . 26777 1 238 . 1 1 30 30 ALA HA H 1 3.923 0.020 . 1 . . . . 19 ALA HA . 26777 1 239 . 1 1 30 30 ALA HB1 H 1 1.378 0.020 . 1 . . . . 19 ALA HB1 . 26777 1 240 . 1 1 30 30 ALA HB2 H 1 1.378 0.020 . 1 . . . . 19 ALA HB2 . 26777 1 241 . 1 1 30 30 ALA HB3 H 1 1.378 0.020 . 1 . . . . 19 ALA HB3 . 26777 1 242 . 1 1 30 30 ALA C C 13 179.449 0.200 . 1 . . . . 19 ALA C . 26777 1 243 . 1 1 30 30 ALA CA C 13 55.819 0.200 . 1 . . . . 19 ALA CA . 26777 1 244 . 1 1 30 30 ALA CB C 13 18.220 0.200 . 1 . . . . 19 ALA CB . 26777 1 245 . 1 1 30 30 ALA N N 15 120.157 0.200 . 1 . . . . 19 ALA N . 26777 1 246 . 1 1 31 31 MET H H 1 8.527 0.020 . 1 . . . . 20 MET H . 26777 1 247 . 1 1 31 31 MET HA H 1 4.139 0.020 . 1 . . . . 20 MET HA . 26777 1 248 . 1 1 31 31 MET HB2 H 1 2.270 0.020 . 2 . . . . 20 MET HB2 . 26777 1 249 . 1 1 31 31 MET HB3 H 1 2.198 0.020 . 2 . . . . 20 MET HB3 . 26777 1 250 . 1 1 31 31 MET HG2 H 1 2.705 0.020 . 1 . . . . 20 MET HG2 . 26777 1 251 . 1 1 31 31 MET HG3 H 1 2.705 0.020 . 1 . . . . 20 MET HG3 . 26777 1 252 . 1 1 31 31 MET C C 13 178.652 0.200 . 1 . . . . 20 MET C . 26777 1 253 . 1 1 31 31 MET CA C 13 59.140 0.200 . 1 . . . . 20 MET CA . 26777 1 254 . 1 1 31 31 MET CB C 13 32.302 0.200 . 1 . . . . 20 MET CB . 26777 1 255 . 1 1 31 31 MET CG C 13 31.711 0.200 . 1 . . . . 20 MET CG . 26777 1 256 . 1 1 31 31 MET N N 15 116.098 0.200 . 1 . . . . 20 MET N . 26777 1 257 . 1 1 32 32 THR H H 1 7.804 0.020 . 1 . . . . 21 THR H . 26777 1 258 . 1 1 32 32 THR HA H 1 3.871 0.020 . 1 . . . . 21 THR HA . 26777 1 259 . 1 1 32 32 THR HB H 1 4.281 0.020 . 1 . . . . 21 THR HB . 26777 1 260 . 1 1 32 32 THR HG21 H 1 1.262 0.020 . 1 . . . . 21 THR HG21 . 26777 1 261 . 1 1 32 32 THR HG22 H 1 1.262 0.020 . 1 . . . . 21 THR HG22 . 26777 1 262 . 1 1 32 32 THR HG23 H 1 1.262 0.020 . 1 . . . . 21 THR HG23 . 26777 1 263 . 1 1 32 32 THR C C 13 176.493 0.200 . 1 . . . . 21 THR C . 26777 1 264 . 1 1 32 32 THR CA C 13 67.054 0.200 . 1 . . . . 21 THR CA . 26777 1 265 . 1 1 32 32 THR CB C 13 68.534 0.200 . 1 . . . . 21 THR CB . 26777 1 266 . 1 1 32 32 THR CG2 C 13 21.809 0.200 . 1 . . . . 21 THR CG2 . 26777 1 267 . 1 1 32 32 THR N N 15 115.573 0.200 . 1 . . . . 21 THR N . 26777 1 268 . 1 1 33 33 LEU H H 1 8.051 0.020 . 1 . . . . 22 LEU H . 26777 1 269 . 1 1 33 33 LEU HA H 1 4.144 0.020 . 1 . . . . 22 LEU HA . 26777 1 270 . 1 1 33 33 LEU HB2 H 1 1.888 0.020 . 2 . . . . 22 LEU HB2 . 26777 1 271 . 1 1 33 33 LEU HB3 H 1 1.151 0.020 . 2 . . . . 22 LEU HB3 . 26777 1 272 . 1 1 33 33 LEU HG H 1 1.791 0.020 . 1 . . . . 22 LEU HG . 26777 1 273 . 1 1 33 33 LEU HD11 H 1 0.537 0.020 . 2 . . . . 22 LEU HD11 . 26777 1 274 . 1 1 33 33 LEU HD12 H 1 0.537 0.020 . 2 . . . . 22 LEU HD12 . 26777 1 275 . 1 1 33 33 LEU HD13 H 1 0.537 0.020 . 2 . . . . 22 LEU HD13 . 26777 1 276 . 1 1 33 33 LEU HD21 H 1 0.441 0.020 . 2 . . . . 22 LEU HD21 . 26777 1 277 . 1 1 33 33 LEU HD22 H 1 0.441 0.020 . 2 . . . . 22 LEU HD22 . 26777 1 278 . 1 1 33 33 LEU HD23 H 1 0.441 0.020 . 2 . . . . 22 LEU HD23 . 26777 1 279 . 1 1 33 33 LEU C C 13 179.350 0.200 . 1 . . . . 22 LEU C . 26777 1 280 . 1 1 33 33 LEU CA C 13 57.603 0.200 . 1 . . . . 22 LEU CA . 26777 1 281 . 1 1 33 33 LEU CB C 13 41.130 0.200 . 1 . . . . 22 LEU CB . 26777 1 282 . 1 1 33 33 LEU CG C 13 27.469 0.200 . 1 . . . . 22 LEU CG . 26777 1 283 . 1 1 33 33 LEU CD1 C 13 26.310 0.200 . 2 . . . . 22 LEU CD1 . 26777 1 284 . 1 1 33 33 LEU CD2 C 13 22.580 0.200 . 2 . . . . 22 LEU CD2 . 26777 1 285 . 1 1 33 33 LEU N N 15 118.714 0.200 . 1 . . . . 22 LEU N . 26777 1 286 . 1 1 34 34 ARG H H 1 8.986 0.020 . 1 . . . . 23 ARG H . 26777 1 287 . 1 1 34 34 ARG HA H 1 4.755 0.020 . 1 . . . . 23 ARG HA . 26777 1 288 . 1 1 34 34 ARG HB2 H 1 1.925 0.020 . 1 . . . . 23 ARG HB2 . 26777 1 289 . 1 1 34 34 ARG HB3 H 1 1.925 0.020 . 1 . . . . 23 ARG HB3 . 26777 1 290 . 1 1 34 34 ARG HD2 H 1 3.193 0.020 . 1 . . . . 23 ARG HD2 . 26777 1 291 . 1 1 34 34 ARG HD3 H 1 3.193 0.020 . 1 . . . . 23 ARG HD3 . 26777 1 292 . 1 1 34 34 ARG C C 13 181.948 0.200 . 1 . . . . 23 ARG C . 26777 1 293 . 1 1 34 34 ARG CA C 13 59.787 0.200 . 1 . . . . 23 ARG CA . 26777 1 294 . 1 1 34 34 ARG CB C 13 29.823 0.200 . 1 . . . . 23 ARG CB . 26777 1 295 . 1 1 34 34 ARG N N 15 121.424 0.200 . 1 . . . . 23 ARG N . 26777 1 296 . 1 1 35 35 GLU H H 1 8.013 0.020 . 1 . . . . 24 GLU H . 26777 1 297 . 1 1 35 35 GLU HA H 1 4.102 0.020 . 1 . . . . 24 GLU HA . 26777 1 298 . 1 1 35 35 GLU HB2 H 1 2.201 0.020 . 2 . . . . 24 GLU HB2 . 26777 1 299 . 1 1 35 35 GLU HB3 H 1 2.195 0.020 . 2 . . . . 24 GLU HB3 . 26777 1 300 . 1 1 35 35 GLU HG2 H 1 2.569 0.020 . 2 . . . . 24 GLU HG2 . 26777 1 301 . 1 1 35 35 GLU HG3 H 1 2.413 0.020 . 2 . . . . 24 GLU HG3 . 26777 1 302 . 1 1 35 35 GLU C C 13 177.195 0.200 . 1 . . . . 24 GLU C . 26777 1 303 . 1 1 35 35 GLU CA C 13 58.890 0.200 . 1 . . . . 24 GLU CA . 26777 1 304 . 1 1 35 35 GLU CB C 13 28.836 0.200 . 1 . . . . 24 GLU CB . 26777 1 305 . 1 1 35 35 GLU CG C 13 35.844 0.200 . 1 . . . . 24 GLU CG . 26777 1 306 . 1 1 35 35 GLU N N 15 120.093 0.200 . 1 . . . . 24 GLU N . 26777 1 307 . 1 1 36 36 ALA H H 1 7.166 0.020 . 1 . . . . 25 ALA H . 26777 1 308 . 1 1 36 36 ALA HA H 1 4.468 0.020 . 1 . . . . 25 ALA HA . 26777 1 309 . 1 1 36 36 ALA HB1 H 1 1.644 0.020 . 1 . . . . 25 ALA HB1 . 26777 1 310 . 1 1 36 36 ALA HB2 H 1 1.644 0.020 . 1 . . . . 25 ALA HB2 . 26777 1 311 . 1 1 36 36 ALA HB3 H 1 1.644 0.020 . 1 . . . . 25 ALA HB3 . 26777 1 312 . 1 1 36 36 ALA C C 13 176.766 0.200 . 1 . . . . 25 ALA C . 26777 1 313 . 1 1 36 36 ALA CA C 13 51.744 0.200 . 1 . . . . 25 ALA CA . 26777 1 314 . 1 1 36 36 ALA CB C 13 19.844 0.200 . 1 . . . . 25 ALA CB . 26777 1 315 . 1 1 36 36 ALA N N 15 118.911 0.200 . 1 . . . . 25 ALA N . 26777 1 316 . 1 1 37 37 GLY H H 1 7.699 0.020 . 1 . . . . 26 GLY H . 26777 1 317 . 1 1 37 37 GLY HA2 H 1 3.632 0.020 . 2 . . . . 26 GLY HA2 . 26777 1 318 . 1 1 37 37 GLY HA3 H 1 4.087 0.020 . 2 . . . . 26 GLY HA3 . 26777 1 319 . 1 1 37 37 GLY C C 13 174.481 0.200 . 1 . . . . 26 GLY C . 26777 1 320 . 1 1 37 37 GLY CA C 13 45.383 0.200 . 1 . . . . 26 GLY CA . 26777 1 321 . 1 1 37 37 GLY N N 15 105.395 0.200 . 1 . . . . 26 GLY N . 26777 1 322 . 1 1 38 38 TYR H H 1 7.895 0.020 . 1 . . . . 27 TYR H . 26777 1 323 . 1 1 38 38 TYR HA H 1 4.605 0.020 . 1 . . . . 27 TYR HA . 26777 1 324 . 1 1 38 38 TYR HB2 H 1 2.330 0.020 . 2 . . . . 27 TYR HB2 . 26777 1 325 . 1 1 38 38 TYR HB3 H 1 2.885 0.020 . 2 . . . . 27 TYR HB3 . 26777 1 326 . 1 1 38 38 TYR HD1 H 1 7.053 0.020 . 3 . . . . 27 TYR HD1 . 26777 1 327 . 1 1 38 38 TYR HD2 H 1 7.053 0.020 . 3 . . . . 27 TYR HD2 . 26777 1 328 . 1 1 38 38 TYR HE1 H 1 6.486 0.020 . 3 . . . . 27 TYR HE1 . 26777 1 329 . 1 1 38 38 TYR HE2 H 1 6.486 0.020 . 3 . . . . 27 TYR HE2 . 26777 1 330 . 1 1 38 38 TYR C C 13 175.933 0.200 . 1 . . . . 27 TYR C . 26777 1 331 . 1 1 38 38 TYR CA C 13 58.178 0.200 . 1 . . . . 27 TYR CA . 26777 1 332 . 1 1 38 38 TYR CB C 13 38.485 0.200 . 1 . . . . 27 TYR CB . 26777 1 333 . 1 1 38 38 TYR CD1 C 13 132.836 0.200 . 3 . . . . 27 TYR CD1 . 26777 1 334 . 1 1 38 38 TYR CD2 C 13 132.836 0.200 . 3 . . . . 27 TYR CD2 . 26777 1 335 . 1 1 38 38 TYR CE1 C 13 117.514 0.200 . 3 . . . . 27 TYR CE1 . 26777 1 336 . 1 1 38 38 TYR CE2 C 13 117.514 0.200 . 3 . . . . 27 TYR CE2 . 26777 1 337 . 1 1 38 38 TYR N N 15 119.785 0.200 . 1 . . . . 27 TYR N . 26777 1 338 . 1 1 39 39 ARG H H 1 8.727 0.020 . 1 . . . . 28 ARG H . 26777 1 339 . 1 1 39 39 ARG HA H 1 4.548 0.020 . 1 . . . . 28 ARG HA . 26777 1 340 . 1 1 39 39 ARG HB2 H 1 1.875 0.020 . 2 . . . . 28 ARG HB2 . 26777 1 341 . 1 1 39 39 ARG HB3 H 1 1.800 0.020 . 2 . . . . 28 ARG HB3 . 26777 1 342 . 1 1 39 39 ARG HG2 H 1 1.717 0.020 . 2 . . . . 28 ARG HG2 . 26777 1 343 . 1 1 39 39 ARG HG3 H 1 1.392 0.020 . 2 . . . . 28 ARG HG3 . 26777 1 344 . 1 1 39 39 ARG HD2 H 1 3.138 0.020 . 1 . . . . 28 ARG HD2 . 26777 1 345 . 1 1 39 39 ARG HD3 H 1 3.138 0.020 . 1 . . . . 28 ARG HD3 . 26777 1 346 . 1 1 39 39 ARG C C 13 175.455 0.200 . 1 . . . . 28 ARG C . 26777 1 347 . 1 1 39 39 ARG CA C 13 55.653 0.200 . 1 . . . . 28 ARG CA . 26777 1 348 . 1 1 39 39 ARG CB C 13 30.752 0.200 . 1 . . . . 28 ARG CB . 26777 1 349 . 1 1 39 39 ARG CG C 13 28.384 0.200 . 1 . . . . 28 ARG CG . 26777 1 350 . 1 1 39 39 ARG CD C 13 43.387 0.200 . 1 . . . . 28 ARG CD . 26777 1 351 . 1 1 39 39 ARG N N 15 122.391 0.200 . 1 . . . . 28 ARG N . 26777 1 352 . 1 1 40 40 VAL H H 1 8.751 0.020 . 1 . . . . 29 VAL H . 26777 1 353 . 1 1 40 40 VAL HA H 1 5.321 0.020 . 1 . . . . 29 VAL HA . 26777 1 354 . 1 1 40 40 VAL HB H 1 1.799 0.020 . 1 . . . . 29 VAL HB . 26777 1 355 . 1 1 40 40 VAL HG11 H 1 0.913 0.020 . 2 . . . . 29 VAL HG11 . 26777 1 356 . 1 1 40 40 VAL HG12 H 1 0.913 0.020 . 2 . . . . 29 VAL HG12 . 26777 1 357 . 1 1 40 40 VAL HG13 H 1 0.913 0.020 . 2 . . . . 29 VAL HG13 . 26777 1 358 . 1 1 40 40 VAL HG21 H 1 0.769 0.020 . 2 . . . . 29 VAL HG21 . 26777 1 359 . 1 1 40 40 VAL HG22 H 1 0.769 0.020 . 2 . . . . 29 VAL HG22 . 26777 1 360 . 1 1 40 40 VAL HG23 H 1 0.769 0.020 . 2 . . . . 29 VAL HG23 . 26777 1 361 . 1 1 40 40 VAL C C 13 175.924 0.200 . 1 . . . . 29 VAL C . 26777 1 362 . 1 1 40 40 VAL CA C 13 60.550 0.200 . 1 . . . . 29 VAL CA . 26777 1 363 . 1 1 40 40 VAL CB C 13 34.849 0.200 . 1 . . . . 29 VAL CB . 26777 1 364 . 1 1 40 40 VAL CG1 C 13 23.738 0.200 . 2 . . . . 29 VAL CG1 . 26777 1 365 . 1 1 40 40 VAL CG2 C 13 21.046 0.200 . 2 . . . . 29 VAL CG2 . 26777 1 366 . 1 1 40 40 VAL N N 15 124.349 0.200 . 1 . . . . 29 VAL N . 26777 1 367 . 1 1 41 41 ILE H H 1 8.753 0.020 . 1 . . . . 30 ILE H . 26777 1 368 . 1 1 41 41 ILE HA H 1 4.406 0.020 . 1 . . . . 30 ILE HA . 26777 1 369 . 1 1 41 41 ILE HB H 1 1.531 0.020 . 1 . . . . 30 ILE HB . 26777 1 370 . 1 1 41 41 ILE HG12 H 1 1.296 0.020 . 2 . . . . 30 ILE HG12 . 26777 1 371 . 1 1 41 41 ILE HG13 H 1 0.885 0.020 . 2 . . . . 30 ILE HG13 . 26777 1 372 . 1 1 41 41 ILE HG21 H 1 0.808 0.020 . 1 . . . . 30 ILE HG21 . 26777 1 373 . 1 1 41 41 ILE HG22 H 1 0.808 0.020 . 1 . . . . 30 ILE HG22 . 26777 1 374 . 1 1 41 41 ILE HG23 H 1 0.808 0.020 . 1 . . . . 30 ILE HG23 . 26777 1 375 . 1 1 41 41 ILE HD11 H 1 0.644 0.020 . 1 . . . . 30 ILE HD11 . 26777 1 376 . 1 1 41 41 ILE HD12 H 1 0.644 0.020 . 1 . . . . 30 ILE HD12 . 26777 1 377 . 1 1 41 41 ILE HD13 H 1 0.644 0.020 . 1 . . . . 30 ILE HD13 . 26777 1 378 . 1 1 41 41 ILE C C 13 174.068 0.200 . 1 . . . . 30 ILE C . 26777 1 379 . 1 1 41 41 ILE CA C 13 59.665 0.200 . 1 . . . . 30 ILE CA . 26777 1 380 . 1 1 41 41 ILE CB C 13 40.628 0.200 . 1 . . . . 30 ILE CB . 26777 1 381 . 1 1 41 41 ILE CG1 C 13 26.094 0.200 . 1 . . . . 30 ILE CG1 . 26777 1 382 . 1 1 41 41 ILE CG2 C 13 17.883 0.200 . 1 . . . . 30 ILE CG2 . 26777 1 383 . 1 1 41 41 ILE CD1 C 13 13.787 0.200 . 1 . . . . 30 ILE CD1 . 26777 1 384 . 1 1 41 41 ILE N N 15 126.747 0.200 . 1 . . . . 30 ILE N . 26777 1 385 . 1 1 42 42 GLU H H 1 8.670 0.020 . 1 . . . . 31 GLU H . 26777 1 386 . 1 1 42 42 GLU HA H 1 5.350 0.020 . 1 . . . . 31 GLU HA . 26777 1 387 . 1 1 42 42 GLU HB2 H 1 1.835 0.020 . 2 . . . . 31 GLU HB2 . 26777 1 388 . 1 1 42 42 GLU HB3 H 1 1.844 0.020 . 2 . . . . 31 GLU HB3 . 26777 1 389 . 1 1 42 42 GLU HG2 H 1 2.033 0.020 . 2 . . . . 31 GLU HG2 . 26777 1 390 . 1 1 42 42 GLU HG3 H 1 2.031 0.020 . 2 . . . . 31 GLU HG3 . 26777 1 391 . 1 1 42 42 GLU C C 13 175.233 0.200 . 1 . . . . 31 GLU C . 26777 1 392 . 1 1 42 42 GLU CA C 13 55.190 0.200 . 1 . . . . 31 GLU CA . 26777 1 393 . 1 1 42 42 GLU CB C 13 34.028 0.200 . 1 . . . . 31 GLU CB . 26777 1 394 . 1 1 42 42 GLU CG C 13 36.764 0.200 . 1 . . . . 31 GLU CG . 26777 1 395 . 1 1 42 42 GLU N N 15 123.249 0.200 . 1 . . . . 31 GLU N . 26777 1 396 . 1 1 43 43 ALA H H 1 8.513 0.020 . 1 . . . . 32 ALA H . 26777 1 397 . 1 1 43 43 ALA HA H 1 4.724 0.020 . 1 . . . . 32 ALA HA . 26777 1 398 . 1 1 43 43 ALA HB1 H 1 1.184 0.020 . 1 . . . . 32 ALA HB1 . 26777 1 399 . 1 1 43 43 ALA HB2 H 1 1.184 0.020 . 1 . . . . 32 ALA HB2 . 26777 1 400 . 1 1 43 43 ALA HB3 H 1 1.184 0.020 . 1 . . . . 32 ALA HB3 . 26777 1 401 . 1 1 43 43 ALA C C 13 176.287 0.200 . 1 . . . . 32 ALA C . 26777 1 402 . 1 1 43 43 ALA CA C 13 50.623 0.200 . 1 . . . . 32 ALA CA . 26777 1 403 . 1 1 43 43 ALA CB C 13 23.063 0.200 . 1 . . . . 32 ALA CB . 26777 1 404 . 1 1 43 43 ALA N N 15 120.238 0.200 . 1 . . . . 32 ALA N . 26777 1 405 . 1 1 44 44 THR H H 1 8.538 0.020 . 1 . . . . 33 THR H . 26777 1 406 . 1 1 44 44 THR HA H 1 4.484 0.020 . 1 . . . . 33 THR HA . 26777 1 407 . 1 1 44 44 THR HB H 1 4.346 0.020 . 1 . . . . 33 THR HB . 26777 1 408 . 1 1 44 44 THR HG21 H 1 1.101 0.020 . 1 . . . . 33 THR HG21 . 26777 1 409 . 1 1 44 44 THR HG22 H 1 1.101 0.020 . 1 . . . . 33 THR HG22 . 26777 1 410 . 1 1 44 44 THR HG23 H 1 1.101 0.020 . 1 . . . . 33 THR HG23 . 26777 1 411 . 1 1 44 44 THR C C 13 173.338 0.200 . 1 . . . . 33 THR C . 26777 1 412 . 1 1 44 44 THR CA C 13 62.706 0.200 . 1 . . . . 33 THR CA . 26777 1 413 . 1 1 44 44 THR CB C 13 70.127 0.200 . 1 . . . . 33 THR CB . 26777 1 414 . 1 1 44 44 THR CG2 C 13 21.095 0.200 . 1 . . . . 33 THR CG2 . 26777 1 415 . 1 1 44 44 THR N N 15 108.618 0.200 . 1 . . . . 33 THR N . 26777 1 416 . 1 1 45 45 ASP H H 1 7.284 0.020 . 1 . . . . 34 ASP H . 26777 1 417 . 1 1 45 45 ASP HA H 1 5.231 0.020 . 1 . . . . 34 ASP HA . 26777 1 418 . 1 1 45 45 ASP HB2 H 1 3.726 0.020 . 2 . . . . 34 ASP HB2 . 26777 1 419 . 1 1 45 45 ASP HB3 H 1 2.948 0.020 . 2 . . . . 34 ASP HB3 . 26777 1 420 . 1 1 45 45 ASP C C 13 176.738 0.200 . 1 . . . . 34 ASP C . 26777 1 421 . 1 1 45 45 ASP CA C 13 53.929 0.200 . 1 . . . . 34 ASP CA . 26777 1 422 . 1 1 45 45 ASP CB C 13 41.280 0.200 . 1 . . . . 34 ASP CB . 26777 1 423 . 1 1 45 45 ASP N N 15 113.515 0.200 . 1 . . . . 34 ASP N . 26777 1 424 . 1 1 46 46 GLY H H 1 7.314 0.020 . 1 . . . . 35 GLY H . 26777 1 425 . 1 1 46 46 GLY HA2 H 1 3.161 0.020 . 2 . . . . 35 GLY HA2 . 26777 1 426 . 1 1 46 46 GLY HA3 H 1 3.683 0.020 . 2 . . . . 35 GLY HA3 . 26777 1 427 . 1 1 46 46 GLY C C 13 174.395 0.200 . 1 . . . . 35 GLY C . 26777 1 428 . 1 1 46 46 GLY CA C 13 47.440 0.200 . 1 . . . . 35 GLY CA . 26777 1 429 . 1 1 46 46 GLY N N 15 102.807 0.200 . 1 . . . . 35 GLY N . 26777 1 430 . 1 1 47 47 ARG H H 1 8.287 0.020 . 1 . . . . 36 ARG H . 26777 1 431 . 1 1 47 47 ARG HA H 1 3.964 0.020 . 1 . . . . 36 ARG HA . 26777 1 432 . 1 1 47 47 ARG HB2 H 1 2.021 0.020 . 2 . . . . 36 ARG HB2 . 26777 1 433 . 1 1 47 47 ARG HB3 H 1 1.756 0.020 . 2 . . . . 36 ARG HB3 . 26777 1 434 . 1 1 47 47 ARG HG2 H 1 1.565 0.020 . 1 . . . . 36 ARG HG2 . 26777 1 435 . 1 1 47 47 ARG HG3 H 1 1.565 0.020 . 1 . . . . 36 ARG HG3 . 26777 1 436 . 1 1 47 47 ARG HD2 H 1 3.158 0.020 . 1 . . . . 36 ARG HD2 . 26777 1 437 . 1 1 47 47 ARG HD3 H 1 3.158 0.020 . 1 . . . . 36 ARG HD3 . 26777 1 438 . 1 1 47 47 ARG C C 13 178.637 0.200 . 1 . . . . 36 ARG C . 26777 1 439 . 1 1 47 47 ARG CA C 13 58.747 0.200 . 1 . . . . 36 ARG CA . 26777 1 440 . 1 1 47 47 ARG CB C 13 29.556 0.200 . 1 . . . . 36 ARG CB . 26777 1 441 . 1 1 47 47 ARG CG C 13 26.850 0.200 . 1 . . . . 36 ARG CG . 26777 1 442 . 1 1 47 47 ARG CD C 13 43.263 0.200 . 1 . . . . 36 ARG CD . 26777 1 443 . 1 1 47 47 ARG N N 15 124.033 0.200 . 1 . . . . 36 ARG N . 26777 1 444 . 1 1 48 48 GLU H H 1 8.786 0.020 . 1 . . . . 37 GLU H . 26777 1 445 . 1 1 48 48 GLU HA H 1 3.981 0.020 . 1 . . . . 37 GLU HA . 26777 1 446 . 1 1 48 48 GLU HB2 H 1 1.928 0.020 . 1 . . . . 37 GLU HB2 . 26777 1 447 . 1 1 48 48 GLU HB3 H 1 1.928 0.020 . 1 . . . . 37 GLU HB3 . 26777 1 448 . 1 1 48 48 GLU HG2 H 1 2.441 0.020 . 2 . . . . 37 GLU HG2 . 26777 1 449 . 1 1 48 48 GLU HG3 H 1 2.176 0.020 . 2 . . . . 37 GLU HG3 . 26777 1 450 . 1 1 48 48 GLU C C 13 179.103 0.200 . 1 . . . . 37 GLU C . 26777 1 451 . 1 1 48 48 GLU CA C 13 58.603 0.200 . 1 . . . . 37 GLU CA . 26777 1 452 . 1 1 48 48 GLU CB C 13 30.414 0.200 . 1 . . . . 37 GLU CB . 26777 1 453 . 1 1 48 48 GLU CG C 13 36.341 0.200 . 1 . . . . 37 GLU CG . 26777 1 454 . 1 1 48 48 GLU N N 15 122.203 0.200 . 1 . . . . 37 GLU N . 26777 1 455 . 1 1 49 49 GLY H H 1 8.378 0.020 . 1 . . . . 38 GLY H . 26777 1 456 . 1 1 49 49 GLY HA2 H 1 2.399 0.020 . 2 . . . . 38 GLY HA2 . 26777 1 457 . 1 1 49 49 GLY HA3 H 1 2.906 0.020 . 2 . . . . 38 GLY HA3 . 26777 1 458 . 1 1 49 49 GLY C C 13 172.924 0.200 . 1 . . . . 38 GLY C . 26777 1 459 . 1 1 49 49 GLY CA C 13 47.502 0.200 . 1 . . . . 38 GLY CA . 26777 1 460 . 1 1 49 49 GLY N N 15 105.518 0.200 . 1 . . . . 38 GLY N . 26777 1 461 . 1 1 50 50 LEU H H 1 7.326 0.020 . 1 . . . . 39 LEU H . 26777 1 462 . 1 1 50 50 LEU HA H 1 3.841 0.020 . 1 . . . . 39 LEU HA . 26777 1 463 . 1 1 50 50 LEU HB2 H 1 1.578 0.020 . 2 . . . . 39 LEU HB2 . 26777 1 464 . 1 1 50 50 LEU HB3 H 1 2.021 0.020 . 2 . . . . 39 LEU HB3 . 26777 1 465 . 1 1 50 50 LEU HG H 1 1.659 0.020 . 1 . . . . 39 LEU HG . 26777 1 466 . 1 1 50 50 LEU HD11 H 1 1.111 0.020 . 2 . . . . 39 LEU HD11 . 26777 1 467 . 1 1 50 50 LEU HD12 H 1 1.111 0.020 . 2 . . . . 39 LEU HD12 . 26777 1 468 . 1 1 50 50 LEU HD13 H 1 1.111 0.020 . 2 . . . . 39 LEU HD13 . 26777 1 469 . 1 1 50 50 LEU HD21 H 1 0.990 0.020 . 2 . . . . 39 LEU HD21 . 26777 1 470 . 1 1 50 50 LEU HD22 H 1 0.990 0.020 . 2 . . . . 39 LEU HD22 . 26777 1 471 . 1 1 50 50 LEU HD23 H 1 0.990 0.020 . 2 . . . . 39 LEU HD23 . 26777 1 472 . 1 1 50 50 LEU C C 13 176.962 0.200 . 1 . . . . 39 LEU C . 26777 1 473 . 1 1 50 50 LEU CA C 13 58.340 0.200 . 1 . . . . 39 LEU CA . 26777 1 474 . 1 1 50 50 LEU CB C 13 42.190 0.200 . 1 . . . . 39 LEU CB . 26777 1 475 . 1 1 50 50 LEU CG C 13 27.110 0.200 . 1 . . . . 39 LEU CG . 26777 1 476 . 1 1 50 50 LEU CD1 C 13 22.714 0.200 . 2 . . . . 39 LEU CD1 . 26777 1 477 . 1 1 50 50 LEU CD2 C 13 26.486 0.200 . 2 . . . . 39 LEU CD2 . 26777 1 478 . 1 1 50 50 LEU N N 15 122.283 0.200 . 1 . . . . 39 LEU N . 26777 1 479 . 1 1 51 51 GLU H H 1 7.450 0.020 . 1 . . . . 40 GLU H . 26777 1 480 . 1 1 51 51 GLU HA H 1 3.862 0.020 . 1 . . . . 40 GLU HA . 26777 1 481 . 1 1 51 51 GLU HB2 H 1 2.099 0.020 . 1 . . . . 40 GLU HB2 . 26777 1 482 . 1 1 51 51 GLU HB3 H 1 2.099 0.020 . 1 . . . . 40 GLU HB3 . 26777 1 483 . 1 1 51 51 GLU HG2 H 1 2.400 0.020 . 2 . . . . 40 GLU HG2 . 26777 1 484 . 1 1 51 51 GLU HG3 H 1 2.224 0.020 . 2 . . . . 40 GLU HG3 . 26777 1 485 . 1 1 51 51 GLU C C 13 180.884 0.200 . 1 . . . . 40 GLU C . 26777 1 486 . 1 1 51 51 GLU CA C 13 59.162 0.200 . 1 . . . . 40 GLU CA . 26777 1 487 . 1 1 51 51 GLU CB C 13 28.937 0.200 . 1 . . . . 40 GLU CB . 26777 1 488 . 1 1 51 51 GLU CG C 13 35.200 0.200 . 1 . . . . 40 GLU CG . 26777 1 489 . 1 1 51 51 GLU N N 15 115.605 0.200 . 1 . . . . 40 GLU N . 26777 1 490 . 1 1 52 52 LYS H H 1 8.263 0.020 . 1 . . . . 41 LYS H . 26777 1 491 . 1 1 52 52 LYS HA H 1 3.981 0.020 . 1 . . . . 41 LYS HA . 26777 1 492 . 1 1 52 52 LYS HB2 H 1 1.439 0.020 . 2 . . . . 41 LYS HB2 . 26777 1 493 . 1 1 52 52 LYS HB3 H 1 1.814 0.020 . 2 . . . . 41 LYS HB3 . 26777 1 494 . 1 1 52 52 LYS HG2 H 1 1.514 0.020 . 1 . . . . 41 LYS HG2 . 26777 1 495 . 1 1 52 52 LYS HG3 H 1 1.514 0.020 . 1 . . . . 41 LYS HG3 . 26777 1 496 . 1 1 52 52 LYS HD2 H 1 1.699 0.020 . 1 . . . . 41 LYS HD2 . 26777 1 497 . 1 1 52 52 LYS HD3 H 1 1.699 0.020 . 1 . . . . 41 LYS HD3 . 26777 1 498 . 1 1 52 52 LYS HE2 H 1 2.980 0.020 . 1 . . . . 41 LYS HE2 . 26777 1 499 . 1 1 52 52 LYS HE3 H 1 2.980 0.020 . 1 . . . . 41 LYS HE3 . 26777 1 500 . 1 1 52 52 LYS C C 13 177.871 0.200 . 1 . . . . 41 LYS C . 26777 1 501 . 1 1 52 52 LYS CA C 13 59.389 0.200 . 1 . . . . 41 LYS CA . 26777 1 502 . 1 1 52 52 LYS CB C 13 32.868 0.200 . 1 . . . . 41 LYS CB . 26777 1 503 . 1 1 52 52 LYS CG C 13 26.148 0.200 . 1 . . . . 41 LYS CG . 26777 1 504 . 1 1 52 52 LYS CD C 13 29.171 0.200 . 1 . . . . 41 LYS CD . 26777 1 505 . 1 1 52 52 LYS CE C 13 42.269 0.200 . 1 . . . . 41 LYS CE . 26777 1 506 . 1 1 52 52 LYS N N 15 118.684 0.200 . 1 . . . . 41 LYS N . 26777 1 507 . 1 1 53 53 ALA H H 1 8.500 0.020 . 1 . . . . 42 ALA H . 26777 1 508 . 1 1 53 53 ALA HA H 1 3.793 0.020 . 1 . . . . 42 ALA HA . 26777 1 509 . 1 1 53 53 ALA HB1 H 1 0.856 0.020 . 1 . . . . 42 ALA HB1 . 26777 1 510 . 1 1 53 53 ALA HB2 H 1 0.856 0.020 . 1 . . . . 42 ALA HB2 . 26777 1 511 . 1 1 53 53 ALA HB3 H 1 0.856 0.020 . 1 . . . . 42 ALA HB3 . 26777 1 512 . 1 1 53 53 ALA C C 13 177.654 0.200 . 1 . . . . 42 ALA C . 26777 1 513 . 1 1 53 53 ALA CA C 13 54.411 0.200 . 1 . . . . 42 ALA CA . 26777 1 514 . 1 1 53 53 ALA CB C 13 17.885 0.200 . 1 . . . . 42 ALA CB . 26777 1 515 . 1 1 53 53 ALA N N 15 120.218 0.200 . 1 . . . . 42 ALA N . 26777 1 516 . 1 1 54 54 LEU H H 1 7.335 0.020 . 1 . . . . 43 LEU H . 26777 1 517 . 1 1 54 54 LEU HA H 1 4.394 0.020 . 1 . . . . 43 LEU HA . 26777 1 518 . 1 1 54 54 LEU HB2 H 1 1.471 0.020 . 2 . . . . 43 LEU HB2 . 26777 1 519 . 1 1 54 54 LEU HB3 H 1 1.740 0.020 . 2 . . . . 43 LEU HB3 . 26777 1 520 . 1 1 54 54 LEU HG H 1 1.842 0.020 . 1 . . . . 43 LEU HG . 26777 1 521 . 1 1 54 54 LEU HD11 H 1 0.454 0.020 . 2 . . . . 43 LEU HD11 . 26777 1 522 . 1 1 54 54 LEU HD12 H 1 0.454 0.020 . 2 . . . . 43 LEU HD12 . 26777 1 523 . 1 1 54 54 LEU HD13 H 1 0.454 0.020 . 2 . . . . 43 LEU HD13 . 26777 1 524 . 1 1 54 54 LEU HD21 H 1 0.564 0.020 . 2 . . . . 43 LEU HD21 . 26777 1 525 . 1 1 54 54 LEU HD22 H 1 0.564 0.020 . 2 . . . . 43 LEU HD22 . 26777 1 526 . 1 1 54 54 LEU HD23 H 1 0.564 0.020 . 2 . . . . 43 LEU HD23 . 26777 1 527 . 1 1 54 54 LEU C C 13 178.171 0.200 . 1 . . . . 43 LEU C . 26777 1 528 . 1 1 54 54 LEU CA C 13 54.941 0.200 . 1 . . . . 43 LEU CA . 26777 1 529 . 1 1 54 54 LEU CB C 13 42.080 0.200 . 1 . . . . 43 LEU CB . 26777 1 530 . 1 1 54 54 LEU CG C 13 26.392 0.200 . 1 . . . . 43 LEU CG . 26777 1 531 . 1 1 54 54 LEU CD1 C 13 24.579 0.200 . 2 . . . . 43 LEU CD1 . 26777 1 532 . 1 1 54 54 LEU CD2 C 13 22.037 0.200 . 2 . . . . 43 LEU CD2 . 26777 1 533 . 1 1 54 54 LEU N N 15 111.283 0.200 . 1 . . . . 43 LEU N . 26777 1 534 . 1 1 55 55 SER H H 1 7.704 0.020 . 1 . . . . 44 SER H . 26777 1 535 . 1 1 55 55 SER HA H 1 4.570 0.020 . 1 . . . . 44 SER HA . 26777 1 536 . 1 1 55 55 SER HB2 H 1 3.900 0.020 . 2 . . . . 44 SER HB2 . 26777 1 537 . 1 1 55 55 SER HB3 H 1 3.981 0.020 . 2 . . . . 44 SER HB3 . 26777 1 538 . 1 1 55 55 SER C C 13 173.725 0.200 . 1 . . . . 44 SER C . 26777 1 539 . 1 1 55 55 SER CA C 13 59.501 0.200 . 1 . . . . 44 SER CA . 26777 1 540 . 1 1 55 55 SER CB C 13 65.259 0.200 . 1 . . . . 44 SER CB . 26777 1 541 . 1 1 55 55 SER N N 15 113.062 0.200 . 1 . . . . 44 SER N . 26777 1 542 . 1 1 56 56 GLU H H 1 7.994 0.020 . 1 . . . . 45 GLU H . 26777 1 543 . 1 1 56 56 GLU HA H 1 4.881 0.020 . 1 . . . . 45 GLU HA . 26777 1 544 . 1 1 56 56 GLU HB2 H 1 1.873 0.020 . 2 . . . . 45 GLU HB2 . 26777 1 545 . 1 1 56 56 GLU HB3 H 1 1.891 0.020 . 2 . . . . 45 GLU HB3 . 26777 1 546 . 1 1 56 56 GLU HG2 H 1 2.292 0.020 . 2 . . . . 45 GLU HG2 . 26777 1 547 . 1 1 56 56 GLU HG3 H 1 2.070 0.020 . 2 . . . . 45 GLU HG3 . 26777 1 548 . 1 1 56 56 GLU C C 13 173.612 0.200 . 1 . . . . 45 GLU C . 26777 1 549 . 1 1 56 56 GLU CA C 13 53.549 0.200 . 1 . . . . 45 GLU CA . 26777 1 550 . 1 1 56 56 GLU CB C 13 30.413 0.200 . 1 . . . . 45 GLU CB . 26777 1 551 . 1 1 56 56 GLU CG C 13 34.834 0.200 . 1 . . . . 45 GLU CG . 26777 1 552 . 1 1 56 56 GLU N N 15 121.834 0.200 . 1 . . . . 45 GLU N . 26777 1 553 . 1 1 57 57 PRO HA H 1 4.553 0.020 . 1 . . . . 46 PRO HA . 26777 1 554 . 1 1 57 57 PRO HB2 H 1 1.996 0.020 . 2 . . . . 46 PRO HB2 . 26777 1 555 . 1 1 57 57 PRO HB3 H 1 2.064 0.020 . 2 . . . . 46 PRO HB3 . 26777 1 556 . 1 1 57 57 PRO HG2 H 1 2.014 0.020 . 1 . . . . 46 PRO HG2 . 26777 1 557 . 1 1 57 57 PRO HG3 H 1 2.014 0.020 . 1 . . . . 46 PRO HG3 . 26777 1 558 . 1 1 57 57 PRO HD2 H 1 3.718 0.020 . 1 . . . . 46 PRO HD2 . 26777 1 559 . 1 1 57 57 PRO HD3 H 1 3.718 0.020 . 1 . . . . 46 PRO HD3 . 26777 1 560 . 1 1 57 57 PRO C C 13 176.010 0.200 . 1 . . . . 46 PRO C . 26777 1 561 . 1 1 57 57 PRO CA C 13 62.965 0.200 . 1 . . . . 46 PRO CA . 26777 1 562 . 1 1 57 57 PRO CB C 13 30.203 0.200 . 1 . . . . 46 PRO CB . 26777 1 563 . 1 1 57 57 PRO CG C 13 27.762 0.200 . 1 . . . . 46 PRO CG . 26777 1 564 . 1 1 57 57 PRO CD C 13 50.253 0.200 . 1 . . . . 46 PRO CD . 26777 1 565 . 1 1 58 58 VAL H H 1 7.941 0.020 . 1 . . . . 47 VAL H . 26777 1 566 . 1 1 58 58 VAL HA H 1 4.037 0.020 . 1 . . . . 47 VAL HA . 26777 1 567 . 1 1 58 58 VAL HB H 1 1.990 0.020 . 1 . . . . 47 VAL HB . 26777 1 568 . 1 1 58 58 VAL HG11 H 1 0.794 0.020 . 2 . . . . 47 VAL HG11 . 26777 1 569 . 1 1 58 58 VAL HG12 H 1 0.794 0.020 . 2 . . . . 47 VAL HG12 . 26777 1 570 . 1 1 58 58 VAL HG13 H 1 0.794 0.020 . 2 . . . . 47 VAL HG13 . 26777 1 571 . 1 1 58 58 VAL HG21 H 1 0.806 0.020 . 2 . . . . 47 VAL HG21 . 26777 1 572 . 1 1 58 58 VAL HG22 H 1 0.806 0.020 . 2 . . . . 47 VAL HG22 . 26777 1 573 . 1 1 58 58 VAL HG23 H 1 0.806 0.020 . 2 . . . . 47 VAL HG23 . 26777 1 574 . 1 1 58 58 VAL C C 13 174.313 0.200 . 1 . . . . 47 VAL C . 26777 1 575 . 1 1 58 58 VAL CA C 13 61.012 0.200 . 1 . . . . 47 VAL CA . 26777 1 576 . 1 1 58 58 VAL CB C 13 34.651 0.200 . 1 . . . . 47 VAL CB . 26777 1 577 . 1 1 58 58 VAL CG1 C 13 20.213 0.200 . 2 . . . . 47 VAL CG1 . 26777 1 578 . 1 1 58 58 VAL CG2 C 13 22.975 0.200 . 2 . . . . 47 VAL CG2 . 26777 1 579 . 1 1 58 58 VAL N N 15 119.060 0.200 . 1 . . . . 47 VAL N . 26777 1 580 . 1 1 59 59 ASP H H 1 9.159 0.020 . 1 . . . . 48 ASP H . 26777 1 581 . 1 1 59 59 ASP HA H 1 4.952 0.020 . 1 . . . . 48 ASP HA . 26777 1 582 . 1 1 59 59 ASP HB2 H 1 2.767 0.020 . 2 . . . . 48 ASP HB2 . 26777 1 583 . 1 1 59 59 ASP HB3 H 1 2.675 0.020 . 2 . . . . 48 ASP HB3 . 26777 1 584 . 1 1 59 59 ASP C C 13 175.252 0.200 . 1 . . . . 48 ASP C . 26777 1 585 . 1 1 59 59 ASP CA C 13 55.853 0.200 . 1 . . . . 48 ASP CA . 26777 1 586 . 1 1 59 59 ASP CB C 13 43.720 0.200 . 1 . . . . 48 ASP CB . 26777 1 587 . 1 1 59 59 ASP N N 15 121.034 0.200 . 1 . . . . 48 ASP N . 26777 1 588 . 1 1 60 60 ALA H H 1 7.716 0.020 . 1 . . . . 49 ALA H . 26777 1 589 . 1 1 60 60 ALA HA H 1 4.793 0.020 . 1 . . . . 49 ALA HA . 26777 1 590 . 1 1 60 60 ALA HB1 H 1 1.215 0.020 . 1 . . . . 49 ALA HB1 . 26777 1 591 . 1 1 60 60 ALA HB2 H 1 1.215 0.020 . 1 . . . . 49 ALA HB2 . 26777 1 592 . 1 1 60 60 ALA HB3 H 1 1.215 0.020 . 1 . . . . 49 ALA HB3 . 26777 1 593 . 1 1 60 60 ALA C C 13 174.324 0.200 . 1 . . . . 49 ALA C . 26777 1 594 . 1 1 60 60 ALA CA C 13 51.340 0.200 . 1 . . . . 49 ALA CA . 26777 1 595 . 1 1 60 60 ALA CB C 13 22.775 0.200 . 1 . . . . 49 ALA CB . 26777 1 596 . 1 1 60 60 ALA N N 15 116.336 0.200 . 1 . . . . 49 ALA N . 26777 1 597 . 1 1 61 61 ILE H H 1 8.396 0.020 . 1 . . . . 50 ILE H . 26777 1 598 . 1 1 61 61 ILE HA H 1 4.846 0.020 . 1 . . . . 50 ILE HA . 26777 1 599 . 1 1 61 61 ILE HB H 1 1.467 0.020 . 1 . . . . 50 ILE HB . 26777 1 600 . 1 1 61 61 ILE HG12 H 1 1.270 0.020 . 2 . . . . 50 ILE HG12 . 26777 1 601 . 1 1 61 61 ILE HG13 H 1 0.825 0.020 . 2 . . . . 50 ILE HG13 . 26777 1 602 . 1 1 61 61 ILE HG21 H 1 0.588 0.020 . 1 . . . . 50 ILE HG21 . 26777 1 603 . 1 1 61 61 ILE HG22 H 1 0.588 0.020 . 1 . . . . 50 ILE HG22 . 26777 1 604 . 1 1 61 61 ILE HG23 H 1 0.588 0.020 . 1 . . . . 50 ILE HG23 . 26777 1 605 . 1 1 61 61 ILE HD11 H 1 0.282 0.020 . 1 . . . . 50 ILE HD11 . 26777 1 606 . 1 1 61 61 ILE HD12 H 1 0.282 0.020 . 1 . . . . 50 ILE HD12 . 26777 1 607 . 1 1 61 61 ILE HD13 H 1 0.282 0.020 . 1 . . . . 50 ILE HD13 . 26777 1 608 . 1 1 61 61 ILE C C 13 173.646 0.200 . 1 . . . . 50 ILE C . 26777 1 609 . 1 1 61 61 ILE CA C 13 60.265 0.200 . 1 . . . . 50 ILE CA . 26777 1 610 . 1 1 61 61 ILE CB C 13 42.439 0.200 . 1 . . . . 50 ILE CB . 26777 1 611 . 1 1 61 61 ILE CG1 C 13 28.771 0.200 . 1 . . . . 50 ILE CG1 . 26777 1 612 . 1 1 61 61 ILE CG2 C 13 17.009 0.200 . 1 . . . . 50 ILE CG2 . 26777 1 613 . 1 1 61 61 ILE CD1 C 13 14.601 0.200 . 1 . . . . 50 ILE CD1 . 26777 1 614 . 1 1 61 61 ILE N N 15 119.616 0.200 . 1 . . . . 50 ILE N . 26777 1 615 . 1 1 62 62 ILE H H 1 9.058 0.020 . 1 . . . . 51 ILE H . 26777 1 616 . 1 1 62 62 ILE HA H 1 4.965 0.020 . 1 . . . . 51 ILE HA . 26777 1 617 . 1 1 62 62 ILE HB H 1 1.382 0.020 . 1 . . . . 51 ILE HB . 26777 1 618 . 1 1 62 62 ILE HG12 H 1 1.208 0.020 . 2 . . . . 51 ILE HG12 . 26777 1 619 . 1 1 62 62 ILE HG13 H 1 0.641 0.020 . 2 . . . . 51 ILE HG13 . 26777 1 620 . 1 1 62 62 ILE HG21 H 1 0.584 0.020 . 1 . . . . 51 ILE HG21 . 26777 1 621 . 1 1 62 62 ILE HG22 H 1 0.584 0.020 . 1 . . . . 51 ILE HG22 . 26777 1 622 . 1 1 62 62 ILE HG23 H 1 0.584 0.020 . 1 . . . . 51 ILE HG23 . 26777 1 623 . 1 1 62 62 ILE HD11 H 1 0.504 0.020 . 1 . . . . 51 ILE HD11 . 26777 1 624 . 1 1 62 62 ILE HD12 H 1 0.504 0.020 . 1 . . . . 51 ILE HD12 . 26777 1 625 . 1 1 62 62 ILE HD13 H 1 0.504 0.020 . 1 . . . . 51 ILE HD13 . 26777 1 626 . 1 1 62 62 ILE C C 13 174.247 0.200 . 1 . . . . 51 ILE C . 26777 1 627 . 1 1 62 62 ILE CA C 13 59.355 0.200 . 1 . . . . 51 ILE CA . 26777 1 628 . 1 1 62 62 ILE CB C 13 40.270 0.200 . 1 . . . . 51 ILE CB . 26777 1 629 . 1 1 62 62 ILE CG1 C 13 27.066 0.200 . 1 . . . . 51 ILE CG1 . 26777 1 630 . 1 1 62 62 ILE CG2 C 13 17.290 0.200 . 1 . . . . 51 ILE CG2 . 26777 1 631 . 1 1 62 62 ILE CD1 C 13 15.130 0.200 . 1 . . . . 51 ILE CD1 . 26777 1 632 . 1 1 62 62 ILE N N 15 127.135 0.200 . 1 . . . . 51 ILE N . 26777 1 633 . 1 1 63 63 THR H H 1 8.768 0.020 . 1 . . . . 52 THR H . 26777 1 634 . 1 1 63 63 THR HA H 1 5.401 0.020 . 1 . . . . 52 THR HA . 26777 1 635 . 1 1 63 63 THR HB H 1 3.248 0.020 . 1 . . . . 52 THR HB . 26777 1 636 . 1 1 63 63 THR HG21 H 1 0.003 0.020 . 1 . . . . 52 THR HG21 . 26777 1 637 . 1 1 63 63 THR HG22 H 1 0.003 0.020 . 1 . . . . 52 THR HG22 . 26777 1 638 . 1 1 63 63 THR HG23 H 1 0.003 0.020 . 1 . . . . 52 THR HG23 . 26777 1 639 . 1 1 63 63 THR C C 13 170.105 0.200 . 1 . . . . 52 THR C . 26777 1 640 . 1 1 63 63 THR CA C 13 58.608 0.200 . 1 . . . . 52 THR CA . 26777 1 641 . 1 1 63 63 THR CB C 13 71.189 0.200 . 1 . . . . 52 THR CB . 26777 1 642 . 1 1 63 63 THR CG2 C 13 17.770 0.200 . 1 . . . . 52 THR CG2 . 26777 1 643 . 1 1 63 63 THR N N 15 120.498 0.200 . 1 . . . . 52 THR N . 26777 1 644 . 1 1 64 64 ASP H H 1 8.052 0.020 . 1 . . . . 53 ASP H . 26777 1 645 . 1 1 64 64 ASP HA H 1 5.458 0.020 . 1 . . . . 53 ASP HA . 26777 1 646 . 1 1 64 64 ASP HB2 H 1 3.096 0.020 . 2 . . . . 53 ASP HB2 . 26777 1 647 . 1 1 64 64 ASP HB3 H 1 3.695 0.020 . 2 . . . . 53 ASP HB3 . 26777 1 648 . 1 1 64 64 ASP C C 13 175.876 0.200 . 1 . . . . 53 ASP C . 26777 1 649 . 1 1 64 64 ASP CA C 13 52.054 0.200 . 1 . . . . 53 ASP CA . 26777 1 650 . 1 1 64 64 ASP CB C 13 44.131 0.200 . 1 . . . . 53 ASP CB . 26777 1 651 . 1 1 64 64 ASP N N 15 126.707 0.200 . 1 . . . . 53 ASP N . 26777 1 652 . 1 1 65 65 GLN H H 1 7.667 0.020 . 1 . . . . 54 GLN H . 26777 1 653 . 1 1 65 65 GLN HA H 1 5.606 0.020 . 1 . . . . 54 GLN HA . 26777 1 654 . 1 1 65 65 GLN HB2 H 1 2.356 0.020 . 2 . . . . 54 GLN HB2 . 26777 1 655 . 1 1 65 65 GLN HB3 H 1 2.084 0.020 . 2 . . . . 54 GLN HB3 . 26777 1 656 . 1 1 65 65 GLN HG2 H 1 2.620 0.020 . 2 . . . . 54 GLN HG2 . 26777 1 657 . 1 1 65 65 GLN HG3 H 1 2.797 0.020 . 2 . . . . 54 GLN HG3 . 26777 1 658 . 1 1 65 65 GLN HE21 H 1 6.855 0.020 . 1 . . . . 54 GLN HE21 . 26777 1 659 . 1 1 65 65 GLN HE22 H 1 7.337 0.020 . 1 . . . . 54 GLN HE22 . 26777 1 660 . 1 1 65 65 GLN C C 13 176.183 0.200 . 1 . . . . 54 GLN C . 26777 1 661 . 1 1 65 65 GLN CA C 13 56.091 0.200 . 1 . . . . 54 GLN CA . 26777 1 662 . 1 1 65 65 GLN CB C 13 28.437 0.200 . 1 . . . . 54 GLN CB . 26777 1 663 . 1 1 65 65 GLN CG C 13 31.980 0.200 . 1 . . . . 54 GLN CG . 26777 1 664 . 1 1 65 65 GLN N N 15 118.049 0.200 . 1 . . . . 54 GLN N . 26777 1 665 . 1 1 65 65 GLN NE2 N 15 107.651 0.200 . 1 . . . . 54 GLN NE2 . 26777 1 666 . 1 1 66 66 ASN H H 1 9.018 0.020 . 1 . . . . 55 ASN H . 26777 1 667 . 1 1 66 66 ASN HA H 1 4.854 0.020 . 1 . . . . 55 ASN HA . 26777 1 668 . 1 1 66 66 ASN HB2 H 1 2.826 0.020 . 2 . . . . 55 ASN HB2 . 26777 1 669 . 1 1 66 66 ASN HB3 H 1 3.267 0.020 . 2 . . . . 55 ASN HB3 . 26777 1 670 . 1 1 66 66 ASN HD21 H 1 7.475 0.020 . 1 . . . . 55 ASN HD21 . 26777 1 671 . 1 1 66 66 ASN HD22 H 1 7.638 0.020 . 1 . . . . 55 ASN HD22 . 26777 1 672 . 1 1 66 66 ASN C C 13 171.968 0.200 . 1 . . . . 55 ASN C . 26777 1 673 . 1 1 66 66 ASN CA C 13 54.634 0.200 . 1 . . . . 55 ASN CA . 26777 1 674 . 1 1 66 66 ASN CB C 13 37.282 0.200 . 1 . . . . 55 ASN CB . 26777 1 675 . 1 1 66 66 ASN N N 15 116.617 0.200 . 1 . . . . 55 ASN N . 26777 1 676 . 1 1 66 66 ASN ND2 N 15 115.280 0.200 . 1 . . . . 55 ASN ND2 . 26777 1 677 . 1 1 67 67 MET H H 1 7.646 0.020 . 1 . . . . 56 MET H . 26777 1 678 . 1 1 67 67 MET HA H 1 4.706 0.020 . 1 . . . . 56 MET HA . 26777 1 679 . 1 1 67 67 MET HB2 H 1 2.200 0.020 . 2 . . . . 56 MET HB2 . 26777 1 680 . 1 1 67 67 MET HB3 H 1 1.978 0.020 . 2 . . . . 56 MET HB3 . 26777 1 681 . 1 1 67 67 MET HG2 H 1 2.906 0.020 . 1 . . . . 56 MET HG2 . 26777 1 682 . 1 1 67 67 MET HG3 H 1 2.905 0.020 . 1 . . . . 56 MET HG3 . 26777 1 683 . 1 1 67 67 MET C C 13 171.250 0.200 . 1 . . . . 56 MET C . 26777 1 684 . 1 1 67 67 MET CA C 13 53.968 0.200 . 1 . . . . 56 MET CA . 26777 1 685 . 1 1 67 67 MET CB C 13 37.451 0.200 . 1 . . . . 56 MET CB . 26777 1 686 . 1 1 67 67 MET CG C 13 33.573 0.200 . 1 . . . . 56 MET CG . 26777 1 687 . 1 1 67 67 MET N N 15 129.133 0.200 . 1 . . . . 56 MET N . 26777 1 688 . 1 1 68 68 PRO HA H 1 4.430 0.020 . 1 . . . . 57 PRO HA . 26777 1 689 . 1 1 68 68 PRO HB2 H 1 1.919 0.020 . 2 . . . . 57 PRO HB2 . 26777 1 690 . 1 1 68 68 PRO HB3 H 1 2.336 0.020 . 2 . . . . 57 PRO HB3 . 26777 1 691 . 1 1 68 68 PRO HG2 H 1 2.136 0.020 . 1 . . . . 57 PRO HG2 . 26777 1 692 . 1 1 68 68 PRO HG3 H 1 2.136 0.020 . 1 . . . . 57 PRO HG3 . 26777 1 693 . 1 1 68 68 PRO HD2 H 1 3.596 0.020 . 1 . . . . 57 PRO HD2 . 26777 1 694 . 1 1 68 68 PRO HD3 H 1 3.596 0.020 . 1 . . . . 57 PRO HD3 . 26777 1 695 . 1 1 68 68 PRO C C 13 176.733 0.200 . 1 . . . . 57 PRO C . 26777 1 696 . 1 1 68 68 PRO CA C 13 62.508 0.200 . 1 . . . . 57 PRO CA . 26777 1 697 . 1 1 68 68 PRO CB C 13 32.829 0.200 . 1 . . . . 57 PRO CB . 26777 1 698 . 1 1 68 68 PRO CG C 13 27.162 0.200 . 1 . . . . 57 PRO CG . 26777 1 699 . 1 1 68 68 PRO CD C 13 50.473 0.200 . 1 . . . . 57 PRO CD . 26777 1 700 . 1 1 69 69 ASN H H 1 8.571 0.020 . 1 . . . . 58 ASN H . 26777 1 701 . 1 1 69 69 ASN HA H 1 4.036 0.020 . 1 . . . . 58 ASN HA . 26777 1 702 . 1 1 69 69 ASN HB2 H 1 2.438 0.020 . 2 . . . . 58 ASN HB2 . 26777 1 703 . 1 1 69 69 ASN HB3 H 1 3.261 0.020 . 2 . . . . 58 ASN HB3 . 26777 1 704 . 1 1 69 69 ASN HD21 H 1 7.864 0.020 . 1 . . . . 58 ASN HD21 . 26777 1 705 . 1 1 69 69 ASN HD22 H 1 7.159 0.020 . 1 . . . . 58 ASN HD22 . 26777 1 706 . 1 1 69 69 ASN C C 13 175.868 0.200 . 1 . . . . 58 ASN C . 26777 1 707 . 1 1 69 69 ASN CA C 13 59.149 0.200 . 1 . . . . 58 ASN CA . 26777 1 708 . 1 1 69 69 ASN CB C 13 37.687 0.200 . 1 . . . . 58 ASN CB . 26777 1 709 . 1 1 69 69 ASN N N 15 111.754 0.200 . 1 . . . . 58 ASN N . 26777 1 710 . 1 1 69 69 ASN ND2 N 15 117.034 0.200 . 1 . . . . 58 ASN ND2 . 26777 1 711 . 1 1 70 70 LEU H H 1 9.318 0.020 . 1 . . . . 59 LEU H . 26777 1 712 . 1 1 70 70 LEU HA H 1 4.443 0.020 . 1 . . . . 59 LEU HA . 26777 1 713 . 1 1 70 70 LEU HB2 H 1 1.558 0.020 . 2 . . . . 59 LEU HB2 . 26777 1 714 . 1 1 70 70 LEU HB3 H 1 1.332 0.020 . 2 . . . . 59 LEU HB3 . 26777 1 715 . 1 1 70 70 LEU HG H 1 1.897 0.020 . 1 . . . . 59 LEU HG . 26777 1 716 . 1 1 70 70 LEU HD11 H 1 1.010 0.020 . 2 . . . . 59 LEU HD11 . 26777 1 717 . 1 1 70 70 LEU HD12 H 1 1.010 0.020 . 2 . . . . 59 LEU HD12 . 26777 1 718 . 1 1 70 70 LEU HD13 H 1 1.010 0.020 . 2 . . . . 59 LEU HD13 . 26777 1 719 . 1 1 70 70 LEU HD21 H 1 0.718 0.020 . 2 . . . . 59 LEU HD21 . 26777 1 720 . 1 1 70 70 LEU HD22 H 1 0.718 0.020 . 2 . . . . 59 LEU HD22 . 26777 1 721 . 1 1 70 70 LEU HD23 H 1 0.718 0.020 . 2 . . . . 59 LEU HD23 . 26777 1 722 . 1 1 70 70 LEU C C 13 173.879 0.200 . 1 . . . . 59 LEU C . 26777 1 723 . 1 1 70 70 LEU CA C 13 56.211 0.200 . 1 . . . . 59 LEU CA . 26777 1 724 . 1 1 70 70 LEU CB C 13 44.433 0.200 . 1 . . . . 59 LEU CB . 26777 1 725 . 1 1 70 70 LEU CG C 13 26.382 0.200 . 1 . . . . 59 LEU CG . 26777 1 726 . 1 1 70 70 LEU CD1 C 13 23.686 0.200 . 2 . . . . 59 LEU CD1 . 26777 1 727 . 1 1 70 70 LEU CD2 C 13 25.105 0.200 . 2 . . . . 59 LEU CD2 . 26777 1 728 . 1 1 70 70 LEU N N 15 125.427 0.200 . 1 . . . . 59 LEU N . 26777 1 729 . 1 1 71 71 ASP H H 1 8.208 0.020 . 1 . . . . 60 ASP H . 26777 1 730 . 1 1 71 71 ASP HA H 1 4.578 0.020 . 1 . . . . 60 ASP HA . 26777 1 731 . 1 1 71 71 ASP HB2 H 1 2.938 0.020 . 2 . . . . 60 ASP HB2 . 26777 1 732 . 1 1 71 71 ASP HB3 H 1 3.582 0.020 . 2 . . . . 60 ASP HB3 . 26777 1 733 . 1 1 71 71 ASP C C 13 175.056 0.200 . 1 . . . . 60 ASP C . 26777 1 734 . 1 1 71 71 ASP CA C 13 52.992 0.200 . 1 . . . . 60 ASP CA . 26777 1 735 . 1 1 71 71 ASP CB C 13 40.858 0.200 . 1 . . . . 60 ASP CB . 26777 1 736 . 1 1 71 71 ASP N N 15 125.005 0.200 . 1 . . . . 60 ASP N . 26777 1 737 . 1 1 72 72 GLY H H 1 9.634 0.020 . 1 . . . . 61 GLY H . 26777 1 738 . 1 1 72 72 GLY HA2 H 1 4.809 0.020 . 2 . . . . 61 GLY HA2 . 26777 1 739 . 1 1 72 72 GLY HA3 H 1 3.827 0.020 . 2 . . . . 61 GLY HA3 . 26777 1 740 . 1 1 72 72 GLY C C 13 176.748 0.200 . 1 . . . . 61 GLY C . 26777 1 741 . 1 1 72 72 GLY CA C 13 48.783 0.200 . 1 . . . . 61 GLY CA . 26777 1 742 . 1 1 72 72 GLY N N 15 109.487 0.200 . 1 . . . . 61 GLY N . 26777 1 743 . 1 1 73 73 LEU H H 1 9.413 0.020 . 1 . . . . 62 LEU H . 26777 1 744 . 1 1 73 73 LEU HA H 1 4.192 0.020 . 1 . . . . 62 LEU HA . 26777 1 745 . 1 1 73 73 LEU HB2 H 1 1.389 0.020 . 2 . . . . 62 LEU HB2 . 26777 1 746 . 1 1 73 73 LEU HB3 H 1 1.978 0.020 . 2 . . . . 62 LEU HB3 . 26777 1 747 . 1 1 73 73 LEU HG H 1 1.822 0.020 . 1 . . . . 62 LEU HG . 26777 1 748 . 1 1 73 73 LEU HD11 H 1 0.872 0.020 . 2 . . . . 62 LEU HD11 . 26777 1 749 . 1 1 73 73 LEU HD12 H 1 0.872 0.020 . 2 . . . . 62 LEU HD12 . 26777 1 750 . 1 1 73 73 LEU HD13 H 1 0.872 0.020 . 2 . . . . 62 LEU HD13 . 26777 1 751 . 1 1 73 73 LEU HD21 H 1 0.639 0.020 . 2 . . . . 62 LEU HD21 . 26777 1 752 . 1 1 73 73 LEU HD22 H 1 0.639 0.020 . 2 . . . . 62 LEU HD22 . 26777 1 753 . 1 1 73 73 LEU HD23 H 1 0.639 0.020 . 2 . . . . 62 LEU HD23 . 26777 1 754 . 1 1 73 73 LEU C C 13 178.908 0.200 . 1 . . . . 62 LEU C . 26777 1 755 . 1 1 73 73 LEU CA C 13 58.913 0.200 . 1 . . . . 62 LEU CA . 26777 1 756 . 1 1 73 73 LEU CB C 13 41.987 0.200 . 1 . . . . 62 LEU CB . 26777 1 757 . 1 1 73 73 LEU CG C 13 27.812 0.200 . 1 . . . . 62 LEU CG . 26777 1 758 . 1 1 73 73 LEU CD1 C 13 26.003 0.200 . 2 . . . . 62 LEU CD1 . 26777 1 759 . 1 1 73 73 LEU CD2 C 13 23.385 0.200 . 2 . . . . 62 LEU CD2 . 26777 1 760 . 1 1 73 73 LEU N N 15 123.060 0.200 . 1 . . . . 62 LEU N . 26777 1 761 . 1 1 74 74 GLY H H 1 8.539 0.020 . 1 . . . . 63 GLY H . 26777 1 762 . 1 1 74 74 GLY HA2 H 1 3.840 0.020 . 2 . . . . 63 GLY HA2 . 26777 1 763 . 1 1 74 74 GLY HA3 H 1 3.823 0.020 . 2 . . . . 63 GLY HA3 . 26777 1 764 . 1 1 74 74 GLY C C 13 177.234 0.200 . 1 . . . . 63 GLY C . 26777 1 765 . 1 1 74 74 GLY CA C 13 47.559 0.200 . 1 . . . . 63 GLY CA . 26777 1 766 . 1 1 74 74 GLY N N 15 108.326 0.200 . 1 . . . . 63 GLY N . 26777 1 767 . 1 1 75 75 PHE H H 1 8.790 0.020 . 1 . . . . 64 PHE H . 26777 1 768 . 1 1 75 75 PHE HA H 1 4.620 0.020 . 1 . . . . 64 PHE HA . 26777 1 769 . 1 1 75 75 PHE HB2 H 1 3.411 0.020 . 2 . . . . 64 PHE HB2 . 26777 1 770 . 1 1 75 75 PHE HB3 H 1 3.662 0.020 . 2 . . . . 64 PHE HB3 . 26777 1 771 . 1 1 75 75 PHE HD1 H 1 7.245 0.020 . 3 . . . . 64 PHE HD1 . 26777 1 772 . 1 1 75 75 PHE HD2 H 1 7.245 0.020 . 3 . . . . 64 PHE HD2 . 26777 1 773 . 1 1 75 75 PHE HE1 H 1 6.619 0.020 . 3 . . . . 64 PHE HE1 . 26777 1 774 . 1 1 75 75 PHE HE2 H 1 6.619 0.020 . 3 . . . . 64 PHE HE2 . 26777 1 775 . 1 1 75 75 PHE HZ H 1 6.420 0.020 . 1 . . . . 64 PHE HZ . 26777 1 776 . 1 1 75 75 PHE C C 13 176.252 0.200 . 1 . . . . 64 PHE C . 26777 1 777 . 1 1 75 75 PHE CA C 13 58.905 0.200 . 1 . . . . 64 PHE CA . 26777 1 778 . 1 1 75 75 PHE CB C 13 38.166 0.200 . 1 . . . . 64 PHE CB . 26777 1 779 . 1 1 75 75 PHE CD1 C 13 131.732 0.200 . 3 . . . . 64 PHE CD1 . 26777 1 780 . 1 1 75 75 PHE CD2 C 13 131.732 0.200 . 3 . . . . 64 PHE CD2 . 26777 1 781 . 1 1 75 75 PHE CE1 C 13 129.543 0.200 . 3 . . . . 64 PHE CE1 . 26777 1 782 . 1 1 75 75 PHE CE2 C 13 129.543 0.200 . 3 . . . . 64 PHE CE2 . 26777 1 783 . 1 1 75 75 PHE CZ C 13 127.547 0.200 . 1 . . . . 64 PHE CZ . 26777 1 784 . 1 1 75 75 PHE N N 15 126.124 0.200 . 1 . . . . 64 PHE N . 26777 1 785 . 1 1 76 76 ILE H H 1 8.903 0.020 . 1 . . . . 65 ILE H . 26777 1 786 . 1 1 76 76 ILE HA H 1 3.473 0.020 . 1 . . . . 65 ILE HA . 26777 1 787 . 1 1 76 76 ILE HB H 1 2.144 0.020 . 1 . . . . 65 ILE HB . 26777 1 788 . 1 1 76 76 ILE HG12 H 1 1.652 0.020 . 2 . . . . 65 ILE HG12 . 26777 1 789 . 1 1 76 76 ILE HG13 H 1 1.142 0.020 . 2 . . . . 65 ILE HG13 . 26777 1 790 . 1 1 76 76 ILE HG21 H 1 0.955 0.020 . 1 . . . . 65 ILE HG21 . 26777 1 791 . 1 1 76 76 ILE HG22 H 1 0.955 0.020 . 1 . . . . 65 ILE HG22 . 26777 1 792 . 1 1 76 76 ILE HG23 H 1 0.955 0.020 . 1 . . . . 65 ILE HG23 . 26777 1 793 . 1 1 76 76 ILE HD11 H 1 -0.039 0.020 . 1 . . . . 65 ILE HD11 . 26777 1 794 . 1 1 76 76 ILE HD12 H 1 -0.039 0.020 . 1 . . . . 65 ILE HD12 . 26777 1 795 . 1 1 76 76 ILE HD13 H 1 -0.039 0.020 . 1 . . . . 65 ILE HD13 . 26777 1 796 . 1 1 76 76 ILE C C 13 178.185 0.200 . 1 . . . . 65 ILE C . 26777 1 797 . 1 1 76 76 ILE CA C 13 62.814 0.200 . 1 . . . . 65 ILE CA . 26777 1 798 . 1 1 76 76 ILE CB C 13 35.364 0.200 . 1 . . . . 65 ILE CB . 26777 1 799 . 1 1 76 76 ILE CG1 C 13 27.650 0.200 . 1 . . . . 65 ILE CG1 . 26777 1 800 . 1 1 76 76 ILE CG2 C 13 19.082 0.200 . 1 . . . . 65 ILE CG2 . 26777 1 801 . 1 1 76 76 ILE CD1 C 13 9.566 0.200 . 1 . . . . 65 ILE CD1 . 26777 1 802 . 1 1 76 76 ILE N N 15 120.330 0.200 . 1 . . . . 65 ILE N . 26777 1 803 . 1 1 77 77 ARG H H 1 8.860 0.020 . 1 . . . . 66 ARG H . 26777 1 804 . 1 1 77 77 ARG HA H 1 3.999 0.020 . 1 . . . . 66 ARG HA . 26777 1 805 . 1 1 77 77 ARG HB2 H 1 1.946 0.020 . 2 . . . . 66 ARG HB2 . 26777 1 806 . 1 1 77 77 ARG HB3 H 1 2.043 0.020 . 2 . . . . 66 ARG HB3 . 26777 1 807 . 1 1 77 77 ARG HG2 H 1 1.685 0.020 . 1 . . . . 66 ARG HG2 . 26777 1 808 . 1 1 77 77 ARG HG3 H 1 1.685 0.020 . 1 . . . . 66 ARG HG3 . 26777 1 809 . 1 1 77 77 ARG HD2 H 1 3.201 0.020 . 1 . . . . 66 ARG HD2 . 26777 1 810 . 1 1 77 77 ARG HD3 H 1 3.201 0.020 . 1 . . . . 66 ARG HD3 . 26777 1 811 . 1 1 77 77 ARG C C 13 179.280 0.200 . 1 . . . . 66 ARG C . 26777 1 812 . 1 1 77 77 ARG CA C 13 60.540 0.200 . 1 . . . . 66 ARG CA . 26777 1 813 . 1 1 77 77 ARG CB C 13 30.405 0.200 . 1 . . . . 66 ARG CB . 26777 1 814 . 1 1 77 77 ARG CG C 13 29.072 0.200 . 1 . . . . 66 ARG CG . 26777 1 815 . 1 1 77 77 ARG CD C 13 43.817 0.200 . 1 . . . . 66 ARG CD . 26777 1 816 . 1 1 77 77 ARG N N 15 119.648 0.200 . 1 . . . . 66 ARG N . 26777 1 817 . 1 1 78 78 ALA H H 1 7.771 0.020 . 1 . . . . 67 ALA H . 26777 1 818 . 1 1 78 78 ALA HA H 1 4.326 0.020 . 1 . . . . 67 ALA HA . 26777 1 819 . 1 1 78 78 ALA HB1 H 1 1.712 0.020 . 1 . . . . 67 ALA HB1 . 26777 1 820 . 1 1 78 78 ALA HB2 H 1 1.712 0.020 . 1 . . . . 67 ALA HB2 . 26777 1 821 . 1 1 78 78 ALA HB3 H 1 1.712 0.020 . 1 . . . . 67 ALA HB3 . 26777 1 822 . 1 1 78 78 ALA C C 13 181.342 0.200 . 1 . . . . 67 ALA C . 26777 1 823 . 1 1 78 78 ALA CA C 13 54.944 0.200 . 1 . . . . 67 ALA CA . 26777 1 824 . 1 1 78 78 ALA CB C 13 18.782 0.200 . 1 . . . . 67 ALA CB . 26777 1 825 . 1 1 78 78 ALA N N 15 119.978 0.200 . 1 . . . . 67 ALA N . 26777 1 826 . 1 1 79 79 PHE H H 1 9.234 0.020 . 1 . . . . 68 PHE H . 26777 1 827 . 1 1 79 79 PHE HA H 1 4.298 0.020 . 1 . . . . 68 PHE HA . 26777 1 828 . 1 1 79 79 PHE HB2 H 1 3.030 0.020 . 2 . . . . 68 PHE HB2 . 26777 1 829 . 1 1 79 79 PHE HB3 H 1 3.177 0.020 . 2 . . . . 68 PHE HB3 . 26777 1 830 . 1 1 79 79 PHE HD1 H 1 6.913 0.020 . 3 . . . . 68 PHE HD1 . 26777 1 831 . 1 1 79 79 PHE HD2 H 1 6.913 0.020 . 3 . . . . 68 PHE HD2 . 26777 1 832 . 1 1 79 79 PHE HE1 H 1 6.985 0.020 . 3 . . . . 68 PHE HE1 . 26777 1 833 . 1 1 79 79 PHE HE2 H 1 6.985 0.020 . 3 . . . . 68 PHE HE2 . 26777 1 834 . 1 1 79 79 PHE HZ H 1 6.924 0.020 . 1 . . . . 68 PHE HZ . 26777 1 835 . 1 1 79 79 PHE C C 13 177.700 0.200 . 1 . . . . 68 PHE C . 26777 1 836 . 1 1 79 79 PHE CA C 13 60.330 0.200 . 1 . . . . 68 PHE CA . 26777 1 837 . 1 1 79 79 PHE CB C 13 39.929 0.200 . 1 . . . . 68 PHE CB . 26777 1 838 . 1 1 79 79 PHE CD1 C 13 130.794 0.200 . 3 . . . . 68 PHE CD1 . 26777 1 839 . 1 1 79 79 PHE CD2 C 13 130.794 0.200 . 3 . . . . 68 PHE CD2 . 26777 1 840 . 1 1 79 79 PHE CE1 C 13 131.456 0.200 . 3 . . . . 68 PHE CE1 . 26777 1 841 . 1 1 79 79 PHE CE2 C 13 131.456 0.200 . 3 . . . . 68 PHE CE2 . 26777 1 842 . 1 1 79 79 PHE CZ C 13 129.048 0.200 . 1 . . . . 68 PHE CZ . 26777 1 843 . 1 1 79 79 PHE N N 15 120.793 0.200 . 1 . . . . 68 PHE N . 26777 1 844 . 1 1 80 80 ARG H H 1 8.457 0.020 . 1 . . . . 69 ARG H . 26777 1 845 . 1 1 80 80 ARG HA H 1 4.268 0.020 . 1 . . . . 69 ARG HA . 26777 1 846 . 1 1 80 80 ARG HB2 H 1 2.005 0.020 . 1 . . . . 69 ARG HB2 . 26777 1 847 . 1 1 80 80 ARG HB3 H 1 2.005 0.020 . 1 . . . . 69 ARG HB3 . 26777 1 848 . 1 1 80 80 ARG HD2 H 1 3.157 0.020 . 2 . . . . 69 ARG HD2 . 26777 1 849 . 1 1 80 80 ARG HD3 H 1 3.257 0.020 . 2 . . . . 69 ARG HD3 . 26777 1 850 . 1 1 80 80 ARG C C 13 176.684 0.200 . 1 . . . . 69 ARG C . 26777 1 851 . 1 1 80 80 ARG CA C 13 56.937 0.200 . 1 . . . . 69 ARG CA . 26777 1 852 . 1 1 80 80 ARG CB C 13 29.060 0.200 . 1 . . . . 69 ARG CB . 26777 1 853 . 1 1 80 80 ARG CG C 13 27.931 0.200 . 1 . . . . 69 ARG CG . 26777 1 854 . 1 1 80 80 ARG CD C 13 42.880 0.200 . 1 . . . . 69 ARG CD . 26777 1 855 . 1 1 80 80 ARG N N 15 115.698 0.200 . 1 . . . . 69 ARG N . 26777 1 856 . 1 1 81 81 GLU H H 1 7.231 0.020 . 1 . . . . 70 GLU H . 26777 1 857 . 1 1 81 81 GLU HA H 1 4.178 0.020 . 1 . . . . 70 GLU HA . 26777 1 858 . 1 1 81 81 GLU HB2 H 1 2.013 0.020 . 2 . . . . 70 GLU HB2 . 26777 1 859 . 1 1 81 81 GLU HB3 H 1 2.094 0.020 . 2 . . . . 70 GLU HB3 . 26777 1 860 . 1 1 81 81 GLU HG2 H 1 2.335 0.020 . 2 . . . . 70 GLU HG2 . 26777 1 861 . 1 1 81 81 GLU HG3 H 1 2.658 0.020 . 2 . . . . 70 GLU HG3 . 26777 1 862 . 1 1 81 81 GLU C C 13 176.835 0.200 . 1 . . . . 70 GLU C . 26777 1 863 . 1 1 81 81 GLU CA C 13 57.041 0.200 . 1 . . . . 70 GLU CA . 26777 1 864 . 1 1 81 81 GLU CB C 13 29.529 0.200 . 1 . . . . 70 GLU CB . 26777 1 865 . 1 1 81 81 GLU CG C 13 35.479 0.200 . 1 . . . . 70 GLU CG . 26777 1 866 . 1 1 81 81 GLU N N 15 116.051 0.200 . 1 . . . . 70 GLU N . 26777 1 867 . 1 1 82 82 HIS H H 1 8.190 0.020 . 1 . . . . 71 HIS H . 26777 1 868 . 1 1 82 82 HIS HA H 1 4.850 0.020 . 1 . . . . 71 HIS HA . 26777 1 869 . 1 1 82 82 HIS HB2 H 1 3.237 0.020 . 2 . . . . 71 HIS HB2 . 26777 1 870 . 1 1 82 82 HIS HB3 H 1 3.706 0.020 . 2 . . . . 71 HIS HB3 . 26777 1 871 . 1 1 82 82 HIS C C 13 174.218 0.200 . 1 . . . . 71 HIS C . 26777 1 872 . 1 1 82 82 HIS CA C 13 53.146 0.200 . 1 . . . . 71 HIS CA . 26777 1 873 . 1 1 82 82 HIS CB C 13 27.801 0.200 . 1 . . . . 71 HIS CB . 26777 1 874 . 1 1 82 82 HIS N N 15 117.783 0.200 . 1 . . . . 71 HIS N . 26777 1 875 . 1 1 83 83 PRO HA H 1 4.331 0.020 . 1 . . . . 72 PRO HA . 26777 1 876 . 1 1 83 83 PRO HB2 H 1 2.019 0.020 . 2 . . . . 72 PRO HB2 . 26777 1 877 . 1 1 83 83 PRO HB3 H 1 2.376 0.020 . 2 . . . . 72 PRO HB3 . 26777 1 878 . 1 1 83 83 PRO HG2 H 1 2.141 0.020 . 1 . . . . 72 PRO HG2 . 26777 1 879 . 1 1 83 83 PRO HG3 H 1 2.141 0.020 . 1 . . . . 72 PRO HG3 . 26777 1 880 . 1 1 83 83 PRO HD2 H 1 3.921 0.020 . 2 . . . . 72 PRO HD2 . 26777 1 881 . 1 1 83 83 PRO HD3 H 1 4.134 0.020 . 2 . . . . 72 PRO HD3 . 26777 1 882 . 1 1 83 83 PRO C C 13 178.190 0.200 . 1 . . . . 72 PRO C . 26777 1 883 . 1 1 83 83 PRO CA C 13 65.226 0.200 . 1 . . . . 72 PRO CA . 26777 1 884 . 1 1 83 83 PRO CB C 13 31.747 0.200 . 1 . . . . 72 PRO CB . 26777 1 885 . 1 1 83 83 PRO CG C 13 27.455 0.200 . 1 . . . . 72 PRO CG . 26777 1 886 . 1 1 83 83 PRO CD C 13 51.331 0.200 . 1 . . . . 72 PRO CD . 26777 1 887 . 1 1 84 84 GLU H H 1 10.016 0.020 . 1 . . . . 73 GLU H . 26777 1 888 . 1 1 84 84 GLU HA H 1 4.085 0.020 . 1 . . . . 73 GLU HA . 26777 1 889 . 1 1 84 84 GLU HB2 H 1 2.184 0.020 . 2 . . . . 73 GLU HB2 . 26777 1 890 . 1 1 84 84 GLU HB3 H 1 1.948 0.020 . 2 . . . . 73 GLU HB3 . 26777 1 891 . 1 1 84 84 GLU HG2 H 1 2.455 0.020 . 2 . . . . 73 GLU HG2 . 26777 1 892 . 1 1 84 84 GLU HG3 H 1 2.682 0.020 . 2 . . . . 73 GLU HG3 . 26777 1 893 . 1 1 84 84 GLU C C 13 176.366 0.200 . 1 . . . . 73 GLU C . 26777 1 894 . 1 1 84 84 GLU CA C 13 59.861 0.200 . 1 . . . . 73 GLU CA . 26777 1 895 . 1 1 84 84 GLU CB C 13 29.003 0.200 . 1 . . . . 73 GLU CB . 26777 1 896 . 1 1 84 84 GLU CG C 13 37.274 0.200 . 1 . . . . 73 GLU CG . 26777 1 897 . 1 1 84 84 GLU N N 15 119.658 0.200 . 1 . . . . 73 GLU N . 26777 1 898 . 1 1 85 85 SER H H 1 7.578 0.020 . 1 . . . . 74 SER H . 26777 1 899 . 1 1 85 85 SER HA H 1 3.713 0.020 . 1 . . . . 74 SER HA . 26777 1 900 . 1 1 85 85 SER HB2 H 1 2.225 0.020 . 2 . . . . 74 SER HB2 . 26777 1 901 . 1 1 85 85 SER HB3 H 1 3.079 0.020 . 2 . . . . 74 SER HB3 . 26777 1 902 . 1 1 85 85 SER C C 13 175.975 0.200 . 1 . . . . 74 SER C . 26777 1 903 . 1 1 85 85 SER CA C 13 59.237 0.200 . 1 . . . . 74 SER CA . 26777 1 904 . 1 1 85 85 SER CB C 13 63.889 0.200 . 1 . . . . 74 SER CB . 26777 1 905 . 1 1 85 85 SER N N 15 111.154 0.200 . 1 . . . . 74 SER N . 26777 1 906 . 1 1 86 86 LYS H H 1 7.307 0.020 . 1 . . . . 75 LYS H . 26777 1 907 . 1 1 86 86 LYS HA H 1 3.991 0.020 . 1 . . . . 75 LYS HA . 26777 1 908 . 1 1 86 86 LYS HB2 H 1 1.850 0.020 . 1 . . . . 75 LYS HB2 . 26777 1 909 . 1 1 86 86 LYS HB3 H 1 1.850 0.020 . 1 . . . . 75 LYS HB3 . 26777 1 910 . 1 1 86 86 LYS HG2 H 1 1.382 0.020 . 2 . . . . 75 LYS HG2 . 26777 1 911 . 1 1 86 86 LYS HG3 H 1 1.515 0.020 . 2 . . . . 75 LYS HG3 . 26777 1 912 . 1 1 86 86 LYS HD2 H 1 1.713 0.020 . 1 . . . . 75 LYS HD2 . 26777 1 913 . 1 1 86 86 LYS HD3 H 1 1.713 0.020 . 1 . . . . 75 LYS HD3 . 26777 1 914 . 1 1 86 86 LYS HE2 H 1 2.982 0.020 . 1 . . . . 75 LYS HE2 . 26777 1 915 . 1 1 86 86 LYS HE3 H 1 2.982 0.020 . 1 . . . . 75 LYS HE3 . 26777 1 916 . 1 1 86 86 LYS C C 13 178.009 0.200 . 1 . . . . 75 LYS C . 26777 1 917 . 1 1 86 86 LYS CA C 13 58.601 0.200 . 1 . . . . 75 LYS CA . 26777 1 918 . 1 1 86 86 LYS CB C 13 31.939 0.200 . 1 . . . . 75 LYS CB . 26777 1 919 . 1 1 86 86 LYS CG C 13 24.818 0.200 . 1 . . . . 75 LYS CG . 26777 1 920 . 1 1 86 86 LYS CD C 13 29.162 0.200 . 1 . . . . 75 LYS CD . 26777 1 921 . 1 1 86 86 LYS CE C 13 42.089 0.200 . 1 . . . . 75 LYS CE . 26777 1 922 . 1 1 86 86 LYS N N 15 124.861 0.200 . 1 . . . . 75 LYS N . 26777 1 923 . 1 1 87 87 GLY H H 1 9.113 0.020 . 1 . . . . 76 GLY H . 26777 1 924 . 1 1 87 87 GLY HA2 H 1 3.810 0.020 . 2 . . . . 76 GLY HA2 . 26777 1 925 . 1 1 87 87 GLY HA3 H 1 4.139 0.020 . 2 . . . . 76 GLY HA3 . 26777 1 926 . 1 1 87 87 GLY C C 13 174.548 0.200 . 1 . . . . 76 GLY C . 26777 1 927 . 1 1 87 87 GLY CA C 13 45.745 0.200 . 1 . . . . 76 GLY CA . 26777 1 928 . 1 1 87 87 GLY N N 15 113.633 0.200 . 1 . . . . 76 GLY N . 26777 1 929 . 1 1 88 88 LYS H H 1 7.416 0.020 . 1 . . . . 77 LYS H . 26777 1 930 . 1 1 88 88 LYS HA H 1 4.841 0.020 . 1 . . . . 77 LYS HA . 26777 1 931 . 1 1 88 88 LYS HB2 H 1 1.493 0.020 . 2 . . . . 77 LYS HB2 . 26777 1 932 . 1 1 88 88 LYS HB3 H 1 1.924 0.020 . 2 . . . . 77 LYS HB3 . 26777 1 933 . 1 1 88 88 LYS C C 13 174.318 0.200 . 1 . . . . 77 LYS C . 26777 1 934 . 1 1 88 88 LYS CA C 13 52.961 0.200 . 1 . . . . 77 LYS CA . 26777 1 935 . 1 1 88 88 LYS CB C 13 31.828 0.200 . 1 . . . . 77 LYS CB . 26777 1 936 . 1 1 88 88 LYS N N 15 119.760 0.200 . 1 . . . . 77 LYS N . 26777 1 937 . 1 1 89 89 PRO HA H 1 4.521 0.020 . 1 . . . . 78 PRO HA . 26777 1 938 . 1 1 89 89 PRO HB2 H 1 1.692 0.020 . 2 . . . . 78 PRO HB2 . 26777 1 939 . 1 1 89 89 PRO HB3 H 1 2.358 0.020 . 2 . . . . 78 PRO HB3 . 26777 1 940 . 1 1 89 89 PRO HG2 H 1 2.055 0.020 . 1 . . . . 78 PRO HG2 . 26777 1 941 . 1 1 89 89 PRO HG3 H 1 2.055 0.020 . 1 . . . . 78 PRO HG3 . 26777 1 942 . 1 1 89 89 PRO HD2 H 1 4.357 0.020 . 1 . . . . 78 PRO HD2 . 26777 1 943 . 1 1 89 89 PRO HD3 H 1 4.357 0.020 . 1 . . . . 78 PRO HD3 . 26777 1 944 . 1 1 89 89 PRO C C 13 175.238 0.200 . 1 . . . . 78 PRO C . 26777 1 945 . 1 1 89 89 PRO CA C 13 63.353 0.200 . 1 . . . . 78 PRO CA . 26777 1 946 . 1 1 89 89 PRO CB C 13 33.396 0.200 . 1 . . . . 78 PRO CB . 26777 1 947 . 1 1 89 89 PRO CG C 13 27.801 0.200 . 1 . . . . 78 PRO CG . 26777 1 948 . 1 1 89 89 PRO CD C 13 51.285 0.200 . 1 . . . . 78 PRO CD . 26777 1 949 . 1 1 90 90 ILE H H 1 8.022 0.020 . 1 . . . . 79 ILE H . 26777 1 950 . 1 1 90 90 ILE HA H 1 4.926 0.020 . 1 . . . . 79 ILE HA . 26777 1 951 . 1 1 90 90 ILE HB H 1 1.581 0.020 . 1 . . . . 79 ILE HB . 26777 1 952 . 1 1 90 90 ILE HG12 H 1 1.779 0.020 . 2 . . . . 79 ILE HG12 . 26777 1 953 . 1 1 90 90 ILE HG13 H 1 0.861 0.020 . 2 . . . . 79 ILE HG13 . 26777 1 954 . 1 1 90 90 ILE HG21 H 1 0.606 0.020 . 1 . . . . 79 ILE HG21 . 26777 1 955 . 1 1 90 90 ILE HG22 H 1 0.606 0.020 . 1 . . . . 79 ILE HG22 . 26777 1 956 . 1 1 90 90 ILE HG23 H 1 0.606 0.020 . 1 . . . . 79 ILE HG23 . 26777 1 957 . 1 1 90 90 ILE HD11 H 1 0.951 0.020 . 1 . . . . 79 ILE HD11 . 26777 1 958 . 1 1 90 90 ILE HD12 H 1 0.951 0.020 . 1 . . . . 79 ILE HD12 . 26777 1 959 . 1 1 90 90 ILE HD13 H 1 0.951 0.020 . 1 . . . . 79 ILE HD13 . 26777 1 960 . 1 1 90 90 ILE C C 13 174.759 0.200 . 1 . . . . 79 ILE C . 26777 1 961 . 1 1 90 90 ILE CA C 13 59.760 0.200 . 1 . . . . 79 ILE CA . 26777 1 962 . 1 1 90 90 ILE CB C 13 42.353 0.200 . 1 . . . . 79 ILE CB . 26777 1 963 . 1 1 90 90 ILE CG1 C 13 27.627 0.200 . 1 . . . . 79 ILE CG1 . 26777 1 964 . 1 1 90 90 ILE CG2 C 13 17.596 0.200 . 1 . . . . 79 ILE CG2 . 26777 1 965 . 1 1 90 90 ILE CD1 C 13 15.208 0.200 . 1 . . . . 79 ILE CD1 . 26777 1 966 . 1 1 90 90 ILE N N 15 122.070 0.200 . 1 . . . . 79 ILE N . 26777 1 967 . 1 1 91 91 ILE H H 1 9.069 0.020 . 1 . . . . 80 ILE H . 26777 1 968 . 1 1 91 91 ILE HA H 1 4.518 0.020 . 1 . . . . 80 ILE HA . 26777 1 969 . 1 1 91 91 ILE HB H 1 1.587 0.020 . 1 . . . . 80 ILE HB . 26777 1 970 . 1 1 91 91 ILE HG12 H 1 1.195 0.020 . 2 . . . . 80 ILE HG12 . 26777 1 971 . 1 1 91 91 ILE HG13 H 1 0.965 0.020 . 2 . . . . 80 ILE HG13 . 26777 1 972 . 1 1 91 91 ILE HG21 H 1 0.580 0.020 . 1 . . . . 80 ILE HG21 . 26777 1 973 . 1 1 91 91 ILE HG22 H 1 0.580 0.020 . 1 . . . . 80 ILE HG22 . 26777 1 974 . 1 1 91 91 ILE HG23 H 1 0.580 0.020 . 1 . . . . 80 ILE HG23 . 26777 1 975 . 1 1 91 91 ILE HD11 H 1 0.595 0.020 . 1 . . . . 80 ILE HD11 . 26777 1 976 . 1 1 91 91 ILE HD12 H 1 0.595 0.020 . 1 . . . . 80 ILE HD12 . 26777 1 977 . 1 1 91 91 ILE HD13 H 1 0.595 0.020 . 1 . . . . 80 ILE HD13 . 26777 1 978 . 1 1 91 91 ILE C C 13 174.429 0.200 . 1 . . . . 80 ILE C . 26777 1 979 . 1 1 91 91 ILE CA C 13 58.767 0.200 . 1 . . . . 80 ILE CA . 26777 1 980 . 1 1 91 91 ILE CB C 13 41.055 0.200 . 1 . . . . 80 ILE CB . 26777 1 981 . 1 1 91 91 ILE CG1 C 13 27.547 0.200 . 1 . . . . 80 ILE CG1 . 26777 1 982 . 1 1 91 91 ILE CG2 C 13 17.009 0.200 . 1 . . . . 80 ILE CG2 . 26777 1 983 . 1 1 91 91 ILE CD1 C 13 12.741 0.200 . 1 . . . . 80 ILE CD1 . 26777 1 984 . 1 1 91 91 ILE N N 15 127.844 0.200 . 1 . . . . 80 ILE N . 26777 1 985 . 1 1 92 92 PHE H H 1 8.165 0.020 . 1 . . . . 81 PHE H . 26777 1 986 . 1 1 92 92 PHE HA H 1 5.219 0.020 . 1 . . . . 81 PHE HA . 26777 1 987 . 1 1 92 92 PHE HB2 H 1 1.386 0.020 . 2 . . . . 81 PHE HB2 . 26777 1 988 . 1 1 92 92 PHE HB3 H 1 2.594 0.020 . 2 . . . . 81 PHE HB3 . 26777 1 989 . 1 1 92 92 PHE HD1 H 1 6.715 0.020 . 3 . . . . 81 PHE HD1 . 26777 1 990 . 1 1 92 92 PHE HD2 H 1 6.715 0.020 . 3 . . . . 81 PHE HD2 . 26777 1 991 . 1 1 92 92 PHE HE1 H 1 7.113 0.020 . 3 . . . . 81 PHE HE1 . 26777 1 992 . 1 1 92 92 PHE HE2 H 1 7.113 0.020 . 3 . . . . 81 PHE HE2 . 26777 1 993 . 1 1 92 92 PHE HZ H 1 6.798 0.020 . 1 . . . . 81 PHE HZ . 26777 1 994 . 1 1 92 92 PHE C C 13 174.575 0.200 . 1 . . . . 81 PHE C . 26777 1 995 . 1 1 92 92 PHE CA C 13 56.276 0.200 . 1 . . . . 81 PHE CA . 26777 1 996 . 1 1 92 92 PHE CB C 13 43.310 0.200 . 1 . . . . 81 PHE CB . 26777 1 997 . 1 1 92 92 PHE CD1 C 13 131.441 0.200 . 3 . . . . 81 PHE CD1 . 26777 1 998 . 1 1 92 92 PHE CD2 C 13 131.441 0.200 . 3 . . . . 81 PHE CD2 . 26777 1 999 . 1 1 92 92 PHE CE1 C 13 130.072 0.200 . 3 . . . . 81 PHE CE1 . 26777 1 1000 . 1 1 92 92 PHE CE2 C 13 130.072 0.200 . 3 . . . . 81 PHE CE2 . 26777 1 1001 . 1 1 92 92 PHE CZ C 13 128.741 0.200 . 1 . . . . 81 PHE CZ . 26777 1 1002 . 1 1 92 92 PHE N N 15 126.424 0.200 . 1 . . . . 81 PHE N . 26777 1 1003 . 1 1 93 93 LEU H H 1 8.351 0.020 . 1 . . . . 82 LEU H . 26777 1 1004 . 1 1 93 93 LEU HA H 1 5.046 0.020 . 1 . . . . 82 LEU HA . 26777 1 1005 . 1 1 93 93 LEU HB2 H 1 0.917 0.020 . 2 . . . . 82 LEU HB2 . 26777 1 1006 . 1 1 93 93 LEU HB3 H 1 1.334 0.020 . 2 . . . . 82 LEU HB3 . 26777 1 1007 . 1 1 93 93 LEU HG H 1 1.044 0.020 . 1 . . . . 82 LEU HG . 26777 1 1008 . 1 1 93 93 LEU HD11 H 1 0.509 0.020 . 2 . . . . 82 LEU HD11 . 26777 1 1009 . 1 1 93 93 LEU HD12 H 1 0.509 0.020 . 2 . . . . 82 LEU HD12 . 26777 1 1010 . 1 1 93 93 LEU HD13 H 1 0.509 0.020 . 2 . . . . 82 LEU HD13 . 26777 1 1011 . 1 1 93 93 LEU HD21 H 1 0.273 0.020 . 2 . . . . 82 LEU HD21 . 26777 1 1012 . 1 1 93 93 LEU HD22 H 1 0.273 0.020 . 2 . . . . 82 LEU HD22 . 26777 1 1013 . 1 1 93 93 LEU HD23 H 1 0.273 0.020 . 2 . . . . 82 LEU HD23 . 26777 1 1014 . 1 1 93 93 LEU C C 13 175.171 0.200 . 1 . . . . 82 LEU C . 26777 1 1015 . 1 1 93 93 LEU CA C 13 53.083 0.200 . 1 . . . . 82 LEU CA . 26777 1 1016 . 1 1 93 93 LEU CB C 13 43.927 0.200 . 1 . . . . 82 LEU CB . 26777 1 1017 . 1 1 93 93 LEU CG C 13 27.281 0.200 . 1 . . . . 82 LEU CG . 26777 1 1018 . 1 1 93 93 LEU CD1 C 13 23.959 0.200 . 2 . . . . 82 LEU CD1 . 26777 1 1019 . 1 1 93 93 LEU CD2 C 13 24.966 0.200 . 2 . . . . 82 LEU CD2 . 26777 1 1020 . 1 1 93 93 LEU N N 15 123.660 0.200 . 1 . . . . 82 LEU N . 26777 1 1021 . 1 1 94 94 SER H H 1 8.101 0.020 . 1 . . . . 83 SER H . 26777 1 1022 . 1 1 94 94 SER HA H 1 5.437 0.020 . 1 . . . . 83 SER HA . 26777 1 1023 . 1 1 94 94 SER HB2 H 1 3.624 0.020 . 2 . . . . 83 SER HB2 . 26777 1 1024 . 1 1 94 94 SER HB3 H 1 3.666 0.020 . 2 . . . . 83 SER HB3 . 26777 1 1025 . 1 1 94 94 SER C C 13 174.909 0.200 . 1 . . . . 83 SER C . 26777 1 1026 . 1 1 94 94 SER CA C 13 56.045 0.200 . 1 . . . . 83 SER CA . 26777 1 1027 . 1 1 94 94 SER CB C 13 65.708 0.200 . 1 . . . . 83 SER CB . 26777 1 1028 . 1 1 94 94 SER N N 15 113.945 0.200 . 1 . . . . 83 SER N . 26777 1 1029 . 1 1 95 95 THR H H 1 8.738 0.020 . 1 . . . . 84 THR H . 26777 1 1030 . 1 1 95 95 THR HA H 1 4.376 0.020 . 1 . . . . 84 THR HA . 26777 1 1031 . 1 1 95 95 THR HB H 1 4.424 0.020 . 1 . . . . 84 THR HB . 26777 1 1032 . 1 1 95 95 THR HG21 H 1 1.442 0.020 . 1 . . . . 84 THR HG21 . 26777 1 1033 . 1 1 95 95 THR HG22 H 1 1.442 0.020 . 1 . . . . 84 THR HG22 . 26777 1 1034 . 1 1 95 95 THR HG23 H 1 1.442 0.020 . 1 . . . . 84 THR HG23 . 26777 1 1035 . 1 1 95 95 THR C C 13 175.352 0.200 . 1 . . . . 84 THR C . 26777 1 1036 . 1 1 95 95 THR CA C 13 64.526 0.200 . 1 . . . . 84 THR CA . 26777 1 1037 . 1 1 95 95 THR CB C 13 69.492 0.200 . 1 . . . . 84 THR CB . 26777 1 1038 . 1 1 95 95 THR CG2 C 13 22.823 0.200 . 1 . . . . 84 THR CG2 . 26777 1 1039 . 1 1 95 95 THR N N 15 118.374 0.200 . 1 . . . . 84 THR N . 26777 1 1040 . 1 1 96 96 ASP H H 1 9.086 0.020 . 1 . . . . 85 ASP H . 26777 1 1041 . 1 1 96 96 ASP HA H 1 4.776 0.020 . 1 . . . . 85 ASP HA . 26777 1 1042 . 1 1 96 96 ASP HB2 H 1 2.811 0.020 . 2 . . . . 85 ASP HB2 . 26777 1 1043 . 1 1 96 96 ASP HB3 H 1 2.906 0.020 . 2 . . . . 85 ASP HB3 . 26777 1 1044 . 1 1 96 96 ASP C C 13 175.160 0.200 . 1 . . . . 85 ASP C . 26777 1 1045 . 1 1 96 96 ASP CA C 13 54.527 0.200 . 1 . . . . 85 ASP CA . 26777 1 1046 . 1 1 96 96 ASP CB C 13 41.900 0.200 . 1 . . . . 85 ASP CB . 26777 1 1047 . 1 1 96 96 ASP N N 15 123.864 0.200 . 1 . . . . 85 ASP N . 26777 1 1048 . 1 1 97 97 SER H H 1 8.511 0.020 . 1 . . . . 86 SER H . 26777 1 1049 . 1 1 97 97 SER HA H 1 4.348 0.020 . 1 . . . . 86 SER HA . 26777 1 1050 . 1 1 97 97 SER HB2 H 1 3.816 0.020 . 2 . . . . 86 SER HB2 . 26777 1 1051 . 1 1 97 97 SER HB3 H 1 4.121 0.020 . 2 . . . . 86 SER HB3 . 26777 1 1052 . 1 1 97 97 SER C C 13 173.895 0.200 . 1 . . . . 86 SER C . 26777 1 1053 . 1 1 97 97 SER CA C 13 57.091 0.200 . 1 . . . . 86 SER CA . 26777 1 1054 . 1 1 97 97 SER CB C 13 65.199 0.200 . 1 . . . . 86 SER CB . 26777 1 1055 . 1 1 97 97 SER N N 15 112.613 0.200 . 1 . . . . 86 SER N . 26777 1 1056 . 1 1 98 98 ALA H H 1 7.698 0.020 . 1 . . . . 87 ALA H . 26777 1 1057 . 1 1 98 98 ALA HA H 1 4.111 0.020 . 1 . . . . 87 ALA HA . 26777 1 1058 . 1 1 98 98 ALA HB1 H 1 1.434 0.020 . 1 . . . . 87 ALA HB1 . 26777 1 1059 . 1 1 98 98 ALA HB2 H 1 1.434 0.020 . 1 . . . . 87 ALA HB2 . 26777 1 1060 . 1 1 98 98 ALA HB3 H 1 1.434 0.020 . 1 . . . . 87 ALA HB3 . 26777 1 1061 . 1 1 98 98 ALA C C 13 178.371 0.200 . 1 . . . . 87 ALA C . 26777 1 1062 . 1 1 98 98 ALA CA C 13 53.189 0.200 . 1 . . . . 87 ALA CA . 26777 1 1063 . 1 1 98 98 ALA CB C 13 19.072 0.200 . 1 . . . . 87 ALA CB . 26777 1 1064 . 1 1 98 98 ALA N N 15 125.057 0.200 . 1 . . . . 87 ALA N . 26777 1 1065 . 1 1 99 99 ASP H H 1 8.698 0.020 . 1 . . . . 88 ASP H . 26777 1 1066 . 1 1 99 99 ASP HA H 1 4.095 0.020 . 1 . . . . 88 ASP HA . 26777 1 1067 . 1 1 99 99 ASP HB2 H 1 2.581 0.020 . 2 . . . . 88 ASP HB2 . 26777 1 1068 . 1 1 99 99 ASP HB3 H 1 2.585 0.020 . 2 . . . . 88 ASP HB3 . 26777 1 1069 . 1 1 99 99 ASP C C 13 178.465 0.200 . 1 . . . . 88 ASP C . 26777 1 1070 . 1 1 99 99 ASP CA C 13 57.863 0.200 . 1 . . . . 88 ASP CA . 26777 1 1071 . 1 1 99 99 ASP CB C 13 40.612 0.200 . 1 . . . . 88 ASP CB . 26777 1 1072 . 1 1 99 99 ASP N N 15 123.236 0.200 . 1 . . . . 88 ASP N . 26777 1 1073 . 1 1 100 100 THR H H 1 8.186 0.020 . 1 . . . . 89 THR H . 26777 1 1074 . 1 1 100 100 THR HA H 1 3.941 0.020 . 1 . . . . 89 THR HA . 26777 1 1075 . 1 1 100 100 THR HB H 1 4.074 0.020 . 1 . . . . 89 THR HB . 26777 1 1076 . 1 1 100 100 THR HG21 H 1 1.176 0.020 . 1 . . . . 89 THR HG21 . 26777 1 1077 . 1 1 100 100 THR HG22 H 1 1.176 0.020 . 1 . . . . 89 THR HG22 . 26777 1 1078 . 1 1 100 100 THR HG23 H 1 1.176 0.020 . 1 . . . . 89 THR HG23 . 26777 1 1079 . 1 1 100 100 THR C C 13 176.682 0.200 . 1 . . . . 89 THR C . 26777 1 1080 . 1 1 100 100 THR CA C 13 64.748 0.200 . 1 . . . . 89 THR CA . 26777 1 1081 . 1 1 100 100 THR CB C 13 68.104 0.200 . 1 . . . . 89 THR CB . 26777 1 1082 . 1 1 100 100 THR CG2 C 13 21.700 0.200 . 1 . . . . 89 THR CG2 . 26777 1 1083 . 1 1 100 100 THR N N 15 110.996 0.200 . 1 . . . . 89 THR N . 26777 1 1084 . 1 1 101 101 LEU H H 1 6.628 0.020 . 1 . . . . 90 LEU H . 26777 1 1085 . 1 1 101 101 LEU HA H 1 3.906 0.020 . 1 . . . . 90 LEU HA . 26777 1 1086 . 1 1 101 101 LEU HB2 H 1 1.218 0.020 . 2 . . . . 90 LEU HB2 . 26777 1 1087 . 1 1 101 101 LEU HB3 H 1 1.310 0.020 . 2 . . . . 90 LEU HB3 . 26777 1 1088 . 1 1 101 101 LEU HG H 1 1.485 0.020 . 1 . . . . 90 LEU HG . 26777 1 1089 . 1 1 101 101 LEU HD11 H 1 0.893 0.020 . 2 . . . . 90 LEU HD11 . 26777 1 1090 . 1 1 101 101 LEU HD12 H 1 0.893 0.020 . 2 . . . . 90 LEU HD12 . 26777 1 1091 . 1 1 101 101 LEU HD13 H 1 0.893 0.020 . 2 . . . . 90 LEU HD13 . 26777 1 1092 . 1 1 101 101 LEU HD21 H 1 1.005 0.020 . 2 . . . . 90 LEU HD21 . 26777 1 1093 . 1 1 101 101 LEU HD22 H 1 1.005 0.020 . 2 . . . . 90 LEU HD22 . 26777 1 1094 . 1 1 101 101 LEU HD23 H 1 1.005 0.020 . 2 . . . . 90 LEU HD23 . 26777 1 1095 . 1 1 101 101 LEU C C 13 177.540 0.200 . 1 . . . . 90 LEU C . 26777 1 1096 . 1 1 101 101 LEU CA C 13 57.176 0.200 . 1 . . . . 90 LEU CA . 26777 1 1097 . 1 1 101 101 LEU CB C 13 41.472 0.200 . 1 . . . . 90 LEU CB . 26777 1 1098 . 1 1 101 101 LEU CG C 13 26.821 0.200 . 1 . . . . 90 LEU CG . 26777 1 1099 . 1 1 101 101 LEU CD1 C 13 23.578 0.200 . 2 . . . . 90 LEU CD1 . 26777 1 1100 . 1 1 101 101 LEU CD2 C 13 25.389 0.200 . 2 . . . . 90 LEU CD2 . 26777 1 1101 . 1 1 101 101 LEU N N 15 122.500 0.200 . 1 . . . . 90 LEU N . 26777 1 1102 . 1 1 102 102 LYS H H 1 6.962 0.020 . 1 . . . . 91 LYS H . 26777 1 1103 . 1 1 102 102 LYS HA H 1 3.077 0.020 . 1 . . . . 91 LYS HA . 26777 1 1104 . 1 1 102 102 LYS HB2 H 1 1.392 0.020 . 1 . . . . 91 LYS HB2 . 26777 1 1105 . 1 1 102 102 LYS HB3 H 1 1.392 0.020 . 1 . . . . 91 LYS HB3 . 26777 1 1106 . 1 1 102 102 LYS HG2 H 1 0.390 0.020 . 2 . . . . 91 LYS HG2 . 26777 1 1107 . 1 1 102 102 LYS HG3 H 1 -0.022 0.020 . 2 . . . . 91 LYS HG3 . 26777 1 1108 . 1 1 102 102 LYS HD2 H 1 1.292 0.020 . 1 . . . . 91 LYS HD2 . 26777 1 1109 . 1 1 102 102 LYS HD3 H 1 1.292 0.020 . 1 . . . . 91 LYS HD3 . 26777 1 1110 . 1 1 102 102 LYS HE2 H 1 2.567 0.020 . 1 . . . . 91 LYS HE2 . 26777 1 1111 . 1 1 102 102 LYS HE3 H 1 2.567 0.020 . 1 . . . . 91 LYS HE3 . 26777 1 1112 . 1 1 102 102 LYS C C 13 179.795 0.200 . 1 . . . . 91 LYS C . 26777 1 1113 . 1 1 102 102 LYS CA C 13 59.760 0.200 . 1 . . . . 91 LYS CA . 26777 1 1114 . 1 1 102 102 LYS CB C 13 31.984 0.200 . 1 . . . . 91 LYS CB . 26777 1 1115 . 1 1 102 102 LYS CG C 13 23.949 0.200 . 1 . . . . 91 LYS CG . 26777 1 1116 . 1 1 102 102 LYS CD C 13 30.037 0.200 . 1 . . . . 91 LYS CD . 26777 1 1117 . 1 1 102 102 LYS CE C 13 41.657 0.200 . 1 . . . . 91 LYS CE . 26777 1 1118 . 1 1 102 102 LYS N N 15 117.330 0.200 . 1 . . . . 91 LYS N . 26777 1 1119 . 1 1 103 103 GLN H H 1 8.032 0.020 . 1 . . . . 92 GLN H . 26777 1 1120 . 1 1 103 103 GLN HA H 1 3.903 0.020 . 1 . . . . 92 GLN HA . 26777 1 1121 . 1 1 103 103 GLN HB2 H 1 2.057 0.020 . 2 . . . . 92 GLN HB2 . 26777 1 1122 . 1 1 103 103 GLN HB3 H 1 2.059 0.020 . 2 . . . . 92 GLN HB3 . 26777 1 1123 . 1 1 103 103 GLN HG2 H 1 2.325 0.020 . 2 . . . . 92 GLN HG2 . 26777 1 1124 . 1 1 103 103 GLN HG3 H 1 2.317 0.020 . 2 . . . . 92 GLN HG3 . 26777 1 1125 . 1 1 103 103 GLN HE21 H 1 7.660 0.020 . 1 . . . . 92 GLN HE21 . 26777 1 1126 . 1 1 103 103 GLN HE22 H 1 6.755 0.020 . 1 . . . . 92 GLN HE22 . 26777 1 1127 . 1 1 103 103 GLN C C 13 178.456 0.200 . 1 . . . . 92 GLN C . 26777 1 1128 . 1 1 103 103 GLN CA C 13 58.690 0.200 . 1 . . . . 92 GLN CA . 26777 1 1129 . 1 1 103 103 GLN CB C 13 27.661 0.200 . 1 . . . . 92 GLN CB . 26777 1 1130 . 1 1 103 103 GLN CG C 13 33.074 0.200 . 1 . . . . 92 GLN CG . 26777 1 1131 . 1 1 103 103 GLN N N 15 112.019 0.200 . 1 . . . . 92 GLN N . 26777 1 1132 . 1 1 103 103 GLN NE2 N 15 112.036 0.200 . 1 . . . . 92 GLN NE2 . 26777 1 1133 . 1 1 104 104 GLN H H 1 7.723 0.020 . 1 . . . . 93 GLN H . 26777 1 1134 . 1 1 104 104 GLN HA H 1 3.915 0.020 . 1 . . . . 93 GLN HA . 26777 1 1135 . 1 1 104 104 GLN HB2 H 1 1.980 0.020 . 2 . . . . 93 GLN HB2 . 26777 1 1136 . 1 1 104 104 GLN HB3 H 1 2.126 0.020 . 2 . . . . 93 GLN HB3 . 26777 1 1137 . 1 1 104 104 GLN HG2 H 1 2.251 0.020 . 2 . . . . 93 GLN HG2 . 26777 1 1138 . 1 1 104 104 GLN HG3 H 1 2.592 0.020 . 2 . . . . 93 GLN HG3 . 26777 1 1139 . 1 1 104 104 GLN HE21 H 1 6.803 0.020 . 1 . . . . 93 GLN HE21 . 26777 1 1140 . 1 1 104 104 GLN HE22 H 1 6.941 0.020 . 1 . . . . 93 GLN HE22 . 26777 1 1141 . 1 1 104 104 GLN C C 13 179.326 0.200 . 1 . . . . 93 GLN C . 26777 1 1142 . 1 1 104 104 GLN CA C 13 59.155 0.200 . 1 . . . . 93 GLN CA . 26777 1 1143 . 1 1 104 104 GLN CB C 13 29.585 0.200 . 1 . . . . 93 GLN CB . 26777 1 1144 . 1 1 104 104 GLN CG C 13 35.147 0.200 . 1 . . . . 93 GLN CG . 26777 1 1145 . 1 1 104 104 GLN N N 15 119.295 0.200 . 1 . . . . 93 GLN N . 26777 1 1146 . 1 1 104 104 GLN NE2 N 15 110.604 0.200 . 1 . . . . 93 GLN NE2 . 26777 1 1147 . 1 1 105 105 ALA H H 1 8.434 0.020 . 1 . . . . 94 ALA H . 26777 1 1148 . 1 1 105 105 ALA HA H 1 3.678 0.020 . 1 . . . . 94 ALA HA . 26777 1 1149 . 1 1 105 105 ALA HB1 H 1 1.129 0.020 . 1 . . . . 94 ALA HB1 . 26777 1 1150 . 1 1 105 105 ALA HB2 H 1 1.129 0.020 . 1 . . . . 94 ALA HB2 . 26777 1 1151 . 1 1 105 105 ALA HB3 H 1 1.129 0.020 . 1 . . . . 94 ALA HB3 . 26777 1 1152 . 1 1 105 105 ALA C C 13 179.187 0.200 . 1 . . . . 94 ALA C . 26777 1 1153 . 1 1 105 105 ALA CA C 13 55.244 0.200 . 1 . . . . 94 ALA CA . 26777 1 1154 . 1 1 105 105 ALA CB C 13 17.371 0.200 . 1 . . . . 94 ALA CB . 26777 1 1155 . 1 1 105 105 ALA N N 15 122.594 0.200 . 1 . . . . 94 ALA N . 26777 1 1156 . 1 1 106 106 ARG H H 1 7.945 0.020 . 1 . . . . 95 ARG H . 26777 1 1157 . 1 1 106 106 ARG HA H 1 4.221 0.020 . 1 . . . . 95 ARG HA . 26777 1 1158 . 1 1 106 106 ARG HB2 H 1 1.962 0.020 . 1 . . . . 95 ARG HB2 . 26777 1 1159 . 1 1 106 106 ARG HB3 H 1 1.962 0.020 . 1 . . . . 95 ARG HB3 . 26777 1 1160 . 1 1 106 106 ARG HG2 H 1 1.767 0.020 . 2 . . . . 95 ARG HG2 . 26777 1 1161 . 1 1 106 106 ARG HG3 H 1 1.600 0.020 . 2 . . . . 95 ARG HG3 . 26777 1 1162 . 1 1 106 106 ARG HD2 H 1 3.190 0.020 . 1 . . . . 95 ARG HD2 . 26777 1 1163 . 1 1 106 106 ARG HD3 H 1 3.190 0.020 . 1 . . . . 95 ARG HD3 . 26777 1 1164 . 1 1 106 106 ARG C C 13 181.032 0.200 . 1 . . . . 95 ARG C . 26777 1 1165 . 1 1 106 106 ARG CA C 13 56.815 0.200 . 1 . . . . 95 ARG CA . 26777 1 1166 . 1 1 106 106 ARG CB C 13 29.721 0.200 . 1 . . . . 95 ARG CB . 26777 1 1167 . 1 1 106 106 ARG CG C 13 27.166 0.200 . 1 . . . . 95 ARG CG . 26777 1 1168 . 1 1 106 106 ARG CD C 13 43.422 0.200 . 1 . . . . 95 ARG CD . 26777 1 1169 . 1 1 106 106 ARG N N 15 119.811 0.200 . 1 . . . . 95 ARG N . 26777 1 1170 . 1 1 107 107 GLU H H 1 8.296 0.020 . 1 . . . . 96 GLU H . 26777 1 1171 . 1 1 107 107 GLU HA H 1 3.998 0.020 . 1 . . . . 96 GLU HA . 26777 1 1172 . 1 1 107 107 GLU HB2 H 1 2.089 0.020 . 1 . . . . 96 GLU HB2 . 26777 1 1173 . 1 1 107 107 GLU HB3 H 1 2.089 0.020 . 1 . . . . 96 GLU HB3 . 26777 1 1174 . 1 1 107 107 GLU HG2 H 1 2.332 0.020 . 1 . . . . 96 GLU HG2 . 26777 1 1175 . 1 1 107 107 GLU HG3 H 1 2.332 0.020 . 1 . . . . 96 GLU HG3 . 26777 1 1176 . 1 1 107 107 GLU C C 13 177.638 0.200 . 1 . . . . 96 GLU C . 26777 1 1177 . 1 1 107 107 GLU CA C 13 59.034 0.200 . 1 . . . . 96 GLU CA . 26777 1 1178 . 1 1 107 107 GLU CB C 13 29.027 0.200 . 1 . . . . 96 GLU CB . 26777 1 1179 . 1 1 107 107 GLU CG C 13 36.224 0.200 . 1 . . . . 96 GLU CG . 26777 1 1180 . 1 1 107 107 GLU N N 15 120.716 0.200 . 1 . . . . 96 GLU N . 26777 1 1181 . 1 1 108 108 ALA H H 1 7.621 0.020 . 1 . . . . 97 ALA H . 26777 1 1182 . 1 1 108 108 ALA HA H 1 4.367 0.020 . 1 . . . . 97 ALA HA . 26777 1 1183 . 1 1 108 108 ALA HB1 H 1 1.468 0.020 . 1 . . . . 97 ALA HB1 . 26777 1 1184 . 1 1 108 108 ALA HB2 H 1 1.468 0.020 . 1 . . . . 97 ALA HB2 . 26777 1 1185 . 1 1 108 108 ALA HB3 H 1 1.468 0.020 . 1 . . . . 97 ALA HB3 . 26777 1 1186 . 1 1 108 108 ALA C C 13 175.881 0.200 . 1 . . . . 97 ALA C . 26777 1 1187 . 1 1 108 108 ALA CA C 13 52.275 0.200 . 1 . . . . 97 ALA CA . 26777 1 1188 . 1 1 108 108 ALA CB C 13 18.611 0.200 . 1 . . . . 97 ALA CB . 26777 1 1189 . 1 1 108 108 ALA N N 15 119.722 0.200 . 1 . . . . 97 ALA N . 26777 1 1190 . 1 1 109 109 GLY H H 1 7.502 0.020 . 1 . . . . 98 GLY H . 26777 1 1191 . 1 1 109 109 GLY HA2 H 1 3.687 0.020 . 2 . . . . 98 GLY HA2 . 26777 1 1192 . 1 1 109 109 GLY HA3 H 1 4.312 0.020 . 2 . . . . 98 GLY HA3 . 26777 1 1193 . 1 1 109 109 GLY C C 13 175.126 0.200 . 1 . . . . 98 GLY C . 26777 1 1194 . 1 1 109 109 GLY CA C 13 44.759 0.200 . 1 . . . . 98 GLY CA . 26777 1 1195 . 1 1 109 109 GLY N N 15 101.698 0.200 . 1 . . . . 98 GLY N . 26777 1 1196 . 1 1 110 110 ALA H H 1 8.496 0.020 . 1 . . . . 99 ALA H . 26777 1 1197 . 1 1 110 110 ALA HA H 1 4.487 0.020 . 1 . . . . 99 ALA HA . 26777 1 1198 . 1 1 110 110 ALA HB1 H 1 1.483 0.020 . 1 . . . . 99 ALA HB1 . 26777 1 1199 . 1 1 110 110 ALA HB2 H 1 1.483 0.020 . 1 . . . . 99 ALA HB2 . 26777 1 1200 . 1 1 110 110 ALA HB3 H 1 1.483 0.020 . 1 . . . . 99 ALA HB3 . 26777 1 1201 . 1 1 110 110 ALA C C 13 177.793 0.200 . 1 . . . . 99 ALA C . 26777 1 1202 . 1 1 110 110 ALA CA C 13 52.887 0.200 . 1 . . . . 99 ALA CA . 26777 1 1203 . 1 1 110 110 ALA CB C 13 19.661 0.200 . 1 . . . . 99 ALA CB . 26777 1 1204 . 1 1 110 110 ALA N N 15 122.352 0.200 . 1 . . . . 99 ALA N . 26777 1 1205 . 1 1 111 111 MET H H 1 9.395 0.020 . 1 . . . . 100 MET H . 26777 1 1206 . 1 1 111 111 MET HA H 1 4.628 0.020 . 1 . . . . 100 MET HA . 26777 1 1207 . 1 1 111 111 MET HB2 H 1 1.928 0.020 . 2 . . . . 100 MET HB2 . 26777 1 1208 . 1 1 111 111 MET HB3 H 1 2.255 0.020 . 2 . . . . 100 MET HB3 . 26777 1 1209 . 1 1 111 111 MET HG2 H 1 2.741 0.020 . 2 . . . . 100 MET HG2 . 26777 1 1210 . 1 1 111 111 MET HG3 H 1 2.848 0.020 . 2 . . . . 100 MET HG3 . 26777 1 1211 . 1 1 111 111 MET C C 13 176.095 0.200 . 1 . . . . 100 MET C . 26777 1 1212 . 1 1 111 111 MET CA C 13 55.768 0.200 . 1 . . . . 100 MET CA . 26777 1 1213 . 1 1 111 111 MET CB C 13 33.889 0.200 . 1 . . . . 100 MET CB . 26777 1 1214 . 1 1 111 111 MET CG C 13 32.294 0.200 . 1 . . . . 100 MET CG . 26777 1 1215 . 1 1 111 111 MET N N 15 120.370 0.200 . 1 . . . . 100 MET N . 26777 1 1216 . 1 1 112 112 GLY H H 1 7.458 0.020 . 1 . . . . 101 GLY H . 26777 1 1217 . 1 1 112 112 GLY HA2 H 1 3.836 0.020 . 2 . . . . 101 GLY HA2 . 26777 1 1218 . 1 1 112 112 GLY HA3 H 1 4.246 0.020 . 2 . . . . 101 GLY HA3 . 26777 1 1219 . 1 1 112 112 GLY C C 13 170.362 0.200 . 1 . . . . 101 GLY C . 26777 1 1220 . 1 1 112 112 GLY CA C 13 45.583 0.200 . 1 . . . . 101 GLY CA . 26777 1 1221 . 1 1 112 112 GLY N N 15 105.028 0.200 . 1 . . . . 101 GLY N . 26777 1 1222 . 1 1 113 113 TRP H H 1 8.582 0.020 . 1 . . . . 102 TRP H . 26777 1 1223 . 1 1 113 113 TRP HA H 1 4.968 0.020 . 1 . . . . 102 TRP HA . 26777 1 1224 . 1 1 113 113 TRP HB2 H 1 3.087 0.020 . 2 . . . . 102 TRP HB2 . 26777 1 1225 . 1 1 113 113 TRP HB3 H 1 3.080 0.020 . 2 . . . . 102 TRP HB3 . 26777 1 1226 . 1 1 113 113 TRP HD1 H 1 6.696 0.020 . 1 . . . . 102 TRP HD1 . 26777 1 1227 . 1 1 113 113 TRP HE1 H 1 10.041 0.020 . 1 . . . . 102 TRP HE1 . 26777 1 1228 . 1 1 113 113 TRP HE3 H 1 6.866 0.020 . 1 . . . . 102 TRP HE3 . 26777 1 1229 . 1 1 113 113 TRP HZ2 H 1 7.287 0.020 . 1 . . . . 102 TRP HZ2 . 26777 1 1230 . 1 1 113 113 TRP HZ3 H 1 5.940 0.020 . 1 . . . . 102 TRP HZ3 . 26777 1 1231 . 1 1 113 113 TRP HH2 H 1 6.693 0.020 . 1 . . . . 102 TRP HH2 . 26777 1 1232 . 1 1 113 113 TRP C C 13 174.472 0.200 . 1 . . . . 102 TRP C . 26777 1 1233 . 1 1 113 113 TRP CA C 13 57.141 0.200 . 1 . . . . 102 TRP CA . 26777 1 1234 . 1 1 113 113 TRP CB C 13 30.121 0.200 . 1 . . . . 102 TRP CB . 26777 1 1235 . 1 1 113 113 TRP CD1 C 13 125.889 0.200 . 1 . . . . 102 TRP CD1 . 26777 1 1236 . 1 1 113 113 TRP CE3 C 13 119.685 0.200 . 1 . . . . 102 TRP CE3 . 26777 1 1237 . 1 1 113 113 TRP CZ2 C 13 113.793 0.200 . 1 . . . . 102 TRP CZ2 . 26777 1 1238 . 1 1 113 113 TRP CZ3 C 13 121.906 0.200 . 1 . . . . 102 TRP CZ3 . 26777 1 1239 . 1 1 113 113 TRP CH2 C 13 123.386 0.200 . 1 . . . . 102 TRP CH2 . 26777 1 1240 . 1 1 113 113 TRP N N 15 123.111 0.200 . 1 . . . . 102 TRP N . 26777 1 1241 . 1 1 113 113 TRP NE1 N 15 127.797 0.200 . 1 . . . . 102 TRP NE1 . 26777 1 1242 . 1 1 114 114 MET H H 1 9.247 0.020 . 1 . . . . 103 MET H . 26777 1 1243 . 1 1 114 114 MET HA H 1 4.611 0.020 . 1 . . . . 103 MET HA . 26777 1 1244 . 1 1 114 114 MET HB2 H 1 1.857 0.020 . 2 . . . . 103 MET HB2 . 26777 1 1245 . 1 1 114 114 MET HB3 H 1 1.861 0.020 . 2 . . . . 103 MET HB3 . 26777 1 1246 . 1 1 114 114 MET HG2 H 1 2.277 0.020 . 2 . . . . 103 MET HG2 . 26777 1 1247 . 1 1 114 114 MET HG3 H 1 2.294 0.020 . 2 . . . . 103 MET HG3 . 26777 1 1248 . 1 1 114 114 MET C C 13 173.324 0.200 . 1 . . . . 103 MET C . 26777 1 1249 . 1 1 114 114 MET CA C 13 54.834 0.200 . 1 . . . . 103 MET CA . 26777 1 1250 . 1 1 114 114 MET CB C 13 36.184 0.200 . 1 . . . . 103 MET CB . 26777 1 1251 . 1 1 114 114 MET CG C 13 31.786 0.200 . 1 . . . . 103 MET CG . 26777 1 1252 . 1 1 114 114 MET N N 15 130.022 0.200 . 1 . . . . 103 MET N . 26777 1 1253 . 1 1 115 115 VAL H H 1 8.248 0.020 . 1 . . . . 104 VAL H . 26777 1 1254 . 1 1 115 115 VAL HA H 1 5.124 0.020 . 1 . . . . 104 VAL HA . 26777 1 1255 . 1 1 115 115 VAL HB H 1 2.052 0.020 . 1 . . . . 104 VAL HB . 26777 1 1256 . 1 1 115 115 VAL HG11 H 1 1.152 0.020 . 2 . . . . 104 VAL HG11 . 26777 1 1257 . 1 1 115 115 VAL HG12 H 1 1.152 0.020 . 2 . . . . 104 VAL HG12 . 26777 1 1258 . 1 1 115 115 VAL HG13 H 1 1.152 0.020 . 2 . . . . 104 VAL HG13 . 26777 1 1259 . 1 1 115 115 VAL HG21 H 1 1.146 0.020 . 2 . . . . 104 VAL HG21 . 26777 1 1260 . 1 1 115 115 VAL HG22 H 1 1.146 0.020 . 2 . . . . 104 VAL HG22 . 26777 1 1261 . 1 1 115 115 VAL HG23 H 1 1.146 0.020 . 2 . . . . 104 VAL HG23 . 26777 1 1262 . 1 1 115 115 VAL C C 13 176.612 0.200 . 1 . . . . 104 VAL C . 26777 1 1263 . 1 1 115 115 VAL CA C 13 60.356 0.200 . 1 . . . . 104 VAL CA . 26777 1 1264 . 1 1 115 115 VAL CB C 13 33.047 0.200 . 1 . . . . 104 VAL CB . 26777 1 1265 . 1 1 115 115 VAL CG1 C 13 21.162 0.200 . 2 . . . . 104 VAL CG1 . 26777 1 1266 . 1 1 115 115 VAL CG2 C 13 21.846 0.200 . 2 . . . . 104 VAL CG2 . 26777 1 1267 . 1 1 115 115 VAL N N 15 122.345 0.200 . 1 . . . . 104 VAL N . 26777 1 1268 . 1 1 116 116 LYS H H 1 7.901 0.020 . 1 . . . . 105 LYS H . 26777 1 1269 . 1 1 116 116 LYS HA H 1 4.087 0.020 . 1 . . . . 105 LYS HA . 26777 1 1270 . 1 1 116 116 LYS HB2 H 1 1.332 0.020 . 2 . . . . 105 LYS HB2 . 26777 1 1271 . 1 1 116 116 LYS HB3 H 1 2.006 0.020 . 2 . . . . 105 LYS HB3 . 26777 1 1272 . 1 1 116 116 LYS C C 13 174.638 0.200 . 1 . . . . 105 LYS C . 26777 1 1273 . 1 1 116 116 LYS CA C 13 55.141 0.200 . 1 . . . . 105 LYS CA . 26777 1 1274 . 1 1 116 116 LYS CB C 13 34.464 0.200 . 1 . . . . 105 LYS CB . 26777 1 1275 . 1 1 116 116 LYS N N 15 125.321 0.200 . 1 . . . . 105 LYS N . 26777 1 1276 . 1 1 117 117 PRO HA H 1 4.550 0.020 . 1 . . . . 106 PRO HA . 26777 1 1277 . 1 1 117 117 PRO HB2 H 1 1.998 0.020 . 2 . . . . 106 PRO HB2 . 26777 1 1278 . 1 1 117 117 PRO HB3 H 1 2.296 0.020 . 2 . . . . 106 PRO HB3 . 26777 1 1279 . 1 1 117 117 PRO HG2 H 1 1.906 0.020 . 1 . . . . 106 PRO HG2 . 26777 1 1280 . 1 1 117 117 PRO HG3 H 1 1.906 0.020 . 1 . . . . 106 PRO HG3 . 26777 1 1281 . 1 1 117 117 PRO HD2 H 1 3.663 0.020 . 2 . . . . 106 PRO HD2 . 26777 1 1282 . 1 1 117 117 PRO HD3 H 1 3.477 0.020 . 2 . . . . 106 PRO HD3 . 26777 1 1283 . 1 1 117 117 PRO C C 13 174.539 0.200 . 1 . . . . 106 PRO C . 26777 1 1284 . 1 1 117 117 PRO CA C 13 62.168 0.200 . 1 . . . . 106 PRO CA . 26777 1 1285 . 1 1 117 117 PRO CB C 13 34.842 0.200 . 1 . . . . 106 PRO CB . 26777 1 1286 . 1 1 117 117 PRO CG C 13 24.571 0.200 . 1 . . . . 106 PRO CG . 26777 1 1287 . 1 1 117 117 PRO CD C 13 50.452 0.200 . 1 . . . . 106 PRO CD . 26777 1 1288 . 1 1 118 118 PHE H H 1 7.636 0.020 . 1 . . . . 107 PHE H . 26777 1 1289 . 1 1 118 118 PHE HA H 1 5.451 0.020 . 1 . . . . 107 PHE HA . 26777 1 1290 . 1 1 118 118 PHE HB2 H 1 2.921 0.020 . 2 . . . . 107 PHE HB2 . 26777 1 1291 . 1 1 118 118 PHE HB3 H 1 3.140 0.020 . 2 . . . . 107 PHE HB3 . 26777 1 1292 . 1 1 118 118 PHE HD1 H 1 7.044 0.020 . 3 . . . . 107 PHE HD1 . 26777 1 1293 . 1 1 118 118 PHE HD2 H 1 7.044 0.020 . 3 . . . . 107 PHE HD2 . 26777 1 1294 . 1 1 118 118 PHE HE1 H 1 7.033 0.020 . 3 . . . . 107 PHE HE1 . 26777 1 1295 . 1 1 118 118 PHE HE2 H 1 7.033 0.020 . 3 . . . . 107 PHE HE2 . 26777 1 1296 . 1 1 118 118 PHE HZ H 1 6.932 0.020 . 1 . . . . 107 PHE HZ . 26777 1 1297 . 1 1 118 118 PHE C C 13 174.559 0.200 . 1 . . . . 107 PHE C . 26777 1 1298 . 1 1 118 118 PHE CA C 13 54.543 0.200 . 1 . . . . 107 PHE CA . 26777 1 1299 . 1 1 118 118 PHE CB C 13 42.205 0.200 . 1 . . . . 107 PHE CB . 26777 1 1300 . 1 1 118 118 PHE CD1 C 13 132.705 0.200 . 3 . . . . 107 PHE CD1 . 26777 1 1301 . 1 1 118 118 PHE CD2 C 13 132.705 0.200 . 3 . . . . 107 PHE CD2 . 26777 1 1302 . 1 1 118 118 PHE CE1 C 13 130.663 0.200 . 3 . . . . 107 PHE CE1 . 26777 1 1303 . 1 1 118 118 PHE CE2 C 13 130.663 0.200 . 3 . . . . 107 PHE CE2 . 26777 1 1304 . 1 1 118 118 PHE CZ C 13 129.359 0.200 . 1 . . . . 107 PHE CZ . 26777 1 1305 . 1 1 118 118 PHE N N 15 116.108 0.200 . 1 . . . . 107 PHE N . 26777 1 1306 . 1 1 119 119 THR H H 1 8.341 0.020 . 1 . . . . 108 THR H . 26777 1 1307 . 1 1 119 119 THR HA H 1 4.646 0.020 . 1 . . . . 108 THR HA . 26777 1 1308 . 1 1 119 119 THR HB H 1 4.530 0.020 . 1 . . . . 108 THR HB . 26777 1 1309 . 1 1 119 119 THR HG21 H 1 1.193 0.020 . 1 . . . . 108 THR HG21 . 26777 1 1310 . 1 1 119 119 THR HG22 H 1 1.193 0.020 . 1 . . . . 108 THR HG22 . 26777 1 1311 . 1 1 119 119 THR HG23 H 1 1.193 0.020 . 1 . . . . 108 THR HG23 . 26777 1 1312 . 1 1 119 119 THR C C 13 175.334 0.200 . 1 . . . . 108 THR C . 26777 1 1313 . 1 1 119 119 THR CA C 13 59.185 0.200 . 1 . . . . 108 THR CA . 26777 1 1314 . 1 1 119 119 THR CB C 13 71.124 0.200 . 1 . . . . 108 THR CB . 26777 1 1315 . 1 1 119 119 THR CG2 C 13 21.595 0.200 . 1 . . . . 108 THR CG2 . 26777 1 1316 . 1 1 119 119 THR N N 15 110.553 0.200 . 1 . . . . 108 THR N . 26777 1 1317 . 1 1 120 120 GLN H H 1 9.384 0.020 . 1 . . . . 109 GLN H . 26777 1 1318 . 1 1 120 120 GLN HA H 1 4.191 0.020 . 1 . . . . 109 GLN HA . 26777 1 1319 . 1 1 120 120 GLN HB2 H 1 2.223 0.020 . 2 . . . . 109 GLN HB2 . 26777 1 1320 . 1 1 120 120 GLN HB3 H 1 2.289 0.020 . 2 . . . . 109 GLN HB3 . 26777 1 1321 . 1 1 120 120 GLN HG2 H 1 2.560 0.020 . 2 . . . . 109 GLN HG2 . 26777 1 1322 . 1 1 120 120 GLN HG3 H 1 2.556 0.020 . 2 . . . . 109 GLN HG3 . 26777 1 1323 . 1 1 120 120 GLN HE21 H 1 7.024 0.020 . 1 . . . . 109 GLN HE21 . 26777 1 1324 . 1 1 120 120 GLN HE22 H 1 7.593 0.020 . 1 . . . . 109 GLN HE22 . 26777 1 1325 . 1 1 120 120 GLN C C 13 174.972 0.200 . 1 . . . . 109 GLN C . 26777 1 1326 . 1 1 120 120 GLN CA C 13 61.959 0.200 . 1 . . . . 109 GLN CA . 26777 1 1327 . 1 1 120 120 GLN CB C 13 26.292 0.200 . 1 . . . . 109 GLN CB . 26777 1 1328 . 1 1 120 120 GLN CG C 13 34.564 0.200 . 1 . . . . 109 GLN CG . 26777 1 1329 . 1 1 120 120 GLN N N 15 121.007 0.200 . 1 . . . . 109 GLN N . 26777 1 1330 . 1 1 120 120 GLN NE2 N 15 112.471 0.200 . 1 . . . . 109 GLN NE2 . 26777 1 1331 . 1 1 121 121 PRO HA H 1 4.289 0.020 . 1 . . . . 110 PRO HA . 26777 1 1332 . 1 1 121 121 PRO HB2 H 1 2.368 0.020 . 2 . . . . 110 PRO HB2 . 26777 1 1333 . 1 1 121 121 PRO HB3 H 1 1.822 0.020 . 2 . . . . 110 PRO HB3 . 26777 1 1334 . 1 1 121 121 PRO HG2 H 1 2.127 0.020 . 2 . . . . 110 PRO HG2 . 26777 1 1335 . 1 1 121 121 PRO HG3 H 1 2.027 0.020 . 2 . . . . 110 PRO HG3 . 26777 1 1336 . 1 1 121 121 PRO HD2 H 1 3.886 0.020 . 1 . . . . 110 PRO HD2 . 26777 1 1337 . 1 1 121 121 PRO HD3 H 1 3.886 0.020 . 1 . . . . 110 PRO HD3 . 26777 1 1338 . 1 1 121 121 PRO C C 13 180.085 0.200 . 1 . . . . 110 PRO C . 26777 1 1339 . 1 1 121 121 PRO CA C 13 65.932 0.200 . 1 . . . . 110 PRO CA . 26777 1 1340 . 1 1 121 121 PRO CB C 13 31.118 0.200 . 1 . . . . 110 PRO CB . 26777 1 1341 . 1 1 121 121 PRO CG C 13 28.249 0.200 . 1 . . . . 110 PRO CG . 26777 1 1342 . 1 1 121 121 PRO CD C 13 50.063 0.200 . 1 . . . . 110 PRO CD . 26777 1 1343 . 1 1 122 122 GLN H H 1 7.285 0.020 . 1 . . . . 111 GLN H . 26777 1 1344 . 1 1 122 122 GLN HA H 1 4.109 0.020 . 1 . . . . 111 GLN HA . 26777 1 1345 . 1 1 122 122 GLN HB2 H 1 2.396 0.020 . 2 . . . . 111 GLN HB2 . 26777 1 1346 . 1 1 122 122 GLN HB3 H 1 2.132 0.020 . 2 . . . . 111 GLN HB3 . 26777 1 1347 . 1 1 122 122 GLN HG2 H 1 2.339 0.020 . 2 . . . . 111 GLN HG2 . 26777 1 1348 . 1 1 122 122 GLN HG3 H 1 2.502 0.020 . 2 . . . . 111 GLN HG3 . 26777 1 1349 . 1 1 122 122 GLN HE21 H 1 7.476 0.020 . 1 . . . . 111 GLN HE21 . 26777 1 1350 . 1 1 122 122 GLN HE22 H 1 7.109 0.020 . 1 . . . . 111 GLN HE22 . 26777 1 1351 . 1 1 122 122 GLN C C 13 178.693 0.200 . 1 . . . . 111 GLN C . 26777 1 1352 . 1 1 122 122 GLN CA C 13 58.756 0.200 . 1 . . . . 111 GLN CA . 26777 1 1353 . 1 1 122 122 GLN CB C 13 28.993 0.200 . 1 . . . . 111 GLN CB . 26777 1 1354 . 1 1 122 122 GLN CG C 13 33.927 0.200 . 1 . . . . 111 GLN CG . 26777 1 1355 . 1 1 122 122 GLN N N 15 116.889 0.200 . 1 . . . . 111 GLN N . 26777 1 1356 . 1 1 122 122 GLN NE2 N 15 110.957 0.200 . 1 . . . . 111 GLN NE2 . 26777 1 1357 . 1 1 123 123 LEU H H 1 7.950 0.020 . 1 . . . . 112 LEU H . 26777 1 1358 . 1 1 123 123 LEU HA H 1 3.947 0.020 . 1 . . . . 112 LEU HA . 26777 1 1359 . 1 1 123 123 LEU HB2 H 1 1.975 0.020 . 2 . . . . 112 LEU HB2 . 26777 1 1360 . 1 1 123 123 LEU HB3 H 1 1.388 0.020 . 2 . . . . 112 LEU HB3 . 26777 1 1361 . 1 1 123 123 LEU HG H 1 1.376 0.020 . 1 . . . . 112 LEU HG . 26777 1 1362 . 1 1 123 123 LEU HD11 H 1 0.700 0.020 . 2 . . . . 112 LEU HD11 . 26777 1 1363 . 1 1 123 123 LEU HD12 H 1 0.700 0.020 . 2 . . . . 112 LEU HD12 . 26777 1 1364 . 1 1 123 123 LEU HD13 H 1 0.700 0.020 . 2 . . . . 112 LEU HD13 . 26777 1 1365 . 1 1 123 123 LEU HD21 H 1 0.548 0.020 . 2 . . . . 112 LEU HD21 . 26777 1 1366 . 1 1 123 123 LEU HD22 H 1 0.548 0.020 . 2 . . . . 112 LEU HD22 . 26777 1 1367 . 1 1 123 123 LEU HD23 H 1 0.548 0.020 . 2 . . . . 112 LEU HD23 . 26777 1 1368 . 1 1 123 123 LEU C C 13 177.857 0.200 . 1 . . . . 112 LEU C . 26777 1 1369 . 1 1 123 123 LEU CA C 13 57.757 0.200 . 1 . . . . 112 LEU CA . 26777 1 1370 . 1 1 123 123 LEU CB C 13 41.855 0.200 . 1 . . . . 112 LEU CB . 26777 1 1371 . 1 1 123 123 LEU CG C 13 27.137 0.200 . 1 . . . . 112 LEU CG . 26777 1 1372 . 1 1 123 123 LEU CD1 C 13 26.843 0.200 . 2 . . . . 112 LEU CD1 . 26777 1 1373 . 1 1 123 123 LEU CD2 C 13 22.674 0.200 . 2 . . . . 112 LEU CD2 . 26777 1 1374 . 1 1 123 123 LEU N N 15 119.866 0.200 . 1 . . . . 112 LEU N . 26777 1 1375 . 1 1 124 124 LEU H H 1 8.305 0.020 . 1 . . . . 113 LEU H . 26777 1 1376 . 1 1 124 124 LEU HA H 1 3.847 0.020 . 1 . . . . 113 LEU HA . 26777 1 1377 . 1 1 124 124 LEU HB2 H 1 1.538 0.020 . 2 . . . . 113 LEU HB2 . 26777 1 1378 . 1 1 124 124 LEU HB3 H 1 1.694 0.020 . 2 . . . . 113 LEU HB3 . 26777 1 1379 . 1 1 124 124 LEU HG H 1 1.627 0.020 . 1 . . . . 113 LEU HG . 26777 1 1380 . 1 1 124 124 LEU HD11 H 1 0.914 0.020 . 2 . . . . 113 LEU HD11 . 26777 1 1381 . 1 1 124 124 LEU HD12 H 1 0.914 0.020 . 2 . . . . 113 LEU HD12 . 26777 1 1382 . 1 1 124 124 LEU HD13 H 1 0.914 0.020 . 2 . . . . 113 LEU HD13 . 26777 1 1383 . 1 1 124 124 LEU HD21 H 1 0.857 0.020 . 2 . . . . 113 LEU HD21 . 26777 1 1384 . 1 1 124 124 LEU HD22 H 1 0.857 0.020 . 2 . . . . 113 LEU HD22 . 26777 1 1385 . 1 1 124 124 LEU HD23 H 1 0.857 0.020 . 2 . . . . 113 LEU HD23 . 26777 1 1386 . 1 1 124 124 LEU C C 13 178.858 0.200 . 1 . . . . 113 LEU C . 26777 1 1387 . 1 1 124 124 LEU CA C 13 57.741 0.200 . 1 . . . . 113 LEU CA . 26777 1 1388 . 1 1 124 124 LEU CB C 13 41.408 0.200 . 1 . . . . 113 LEU CB . 26777 1 1389 . 1 1 124 124 LEU CG C 13 27.045 0.200 . 1 . . . . 113 LEU CG . 26777 1 1390 . 1 1 124 124 LEU CD1 C 13 24.770 0.200 . 2 . . . . 113 LEU CD1 . 26777 1 1391 . 1 1 124 124 LEU CD2 C 13 23.394 0.200 . 2 . . . . 113 LEU CD2 . 26777 1 1392 . 1 1 124 124 LEU N N 15 116.848 0.200 . 1 . . . . 113 LEU N . 26777 1 1393 . 1 1 125 125 ALA H H 1 7.871 0.020 . 1 . . . . 114 ALA H . 26777 1 1394 . 1 1 125 125 ALA HA H 1 4.120 0.020 . 1 . . . . 114 ALA HA . 26777 1 1395 . 1 1 125 125 ALA HB1 H 1 1.500 0.020 . 1 . . . . 114 ALA HB1 . 26777 1 1396 . 1 1 125 125 ALA HB2 H 1 1.500 0.020 . 1 . . . . 114 ALA HB2 . 26777 1 1397 . 1 1 125 125 ALA HB3 H 1 1.500 0.020 . 1 . . . . 114 ALA HB3 . 26777 1 1398 . 1 1 125 125 ALA C C 13 180.908 0.200 . 1 . . . . 114 ALA C . 26777 1 1399 . 1 1 125 125 ALA CA C 13 55.141 0.200 . 1 . . . . 114 ALA CA . 26777 1 1400 . 1 1 125 125 ALA CB C 13 18.175 0.200 . 1 . . . . 114 ALA CB . 26777 1 1401 . 1 1 125 125 ALA N N 15 119.621 0.200 . 1 . . . . 114 ALA N . 26777 1 1402 . 1 1 126 126 VAL H H 1 7.550 0.020 . 1 . . . . 115 VAL H . 26777 1 1403 . 1 1 126 126 VAL HA H 1 3.807 0.020 . 1 . . . . 115 VAL HA . 26777 1 1404 . 1 1 126 126 VAL HB H 1 2.123 0.020 . 1 . . . . 115 VAL HB . 26777 1 1405 . 1 1 126 126 VAL HG11 H 1 0.925 0.020 . 2 . . . . 115 VAL HG11 . 26777 1 1406 . 1 1 126 126 VAL HG12 H 1 0.925 0.020 . 2 . . . . 115 VAL HG12 . 26777 1 1407 . 1 1 126 126 VAL HG13 H 1 0.925 0.020 . 2 . . . . 115 VAL HG13 . 26777 1 1408 . 1 1 126 126 VAL HG21 H 1 1.099 0.020 . 2 . . . . 115 VAL HG21 . 26777 1 1409 . 1 1 126 126 VAL HG22 H 1 1.099 0.020 . 2 . . . . 115 VAL HG22 . 26777 1 1410 . 1 1 126 126 VAL HG23 H 1 1.099 0.020 . 2 . . . . 115 VAL HG23 . 26777 1 1411 . 1 1 126 126 VAL C C 13 177.529 0.200 . 1 . . . . 115 VAL C . 26777 1 1412 . 1 1 126 126 VAL CA C 13 66.157 0.200 . 1 . . . . 115 VAL CA . 26777 1 1413 . 1 1 126 126 VAL CB C 13 31.762 0.200 . 1 . . . . 115 VAL CB . 26777 1 1414 . 1 1 126 126 VAL CG1 C 13 20.756 0.200 . 2 . . . . 115 VAL CG1 . 26777 1 1415 . 1 1 126 126 VAL CG2 C 13 23.446 0.200 . 2 . . . . 115 VAL CG2 . 26777 1 1416 . 1 1 126 126 VAL N N 15 118.972 0.200 . 1 . . . . 115 VAL N . 26777 1 1417 . 1 1 127 127 ILE H H 1 7.869 0.020 . 1 . . . . 116 ILE H . 26777 1 1418 . 1 1 127 127 ILE HA H 1 3.727 0.020 . 1 . . . . 116 ILE HA . 26777 1 1419 . 1 1 127 127 ILE HB H 1 1.751 0.020 . 1 . . . . 116 ILE HB . 26777 1 1420 . 1 1 127 127 ILE HG12 H 1 1.258 0.020 . 2 . . . . 116 ILE HG12 . 26777 1 1421 . 1 1 127 127 ILE HG13 H 1 1.080 0.020 . 2 . . . . 116 ILE HG13 . 26777 1 1422 . 1 1 127 127 ILE HG21 H 1 0.549 0.020 . 1 . . . . 116 ILE HG21 . 26777 1 1423 . 1 1 127 127 ILE HG22 H 1 0.549 0.020 . 1 . . . . 116 ILE HG22 . 26777 1 1424 . 1 1 127 127 ILE HG23 H 1 0.549 0.020 . 1 . . . . 116 ILE HG23 . 26777 1 1425 . 1 1 127 127 ILE HD11 H 1 0.366 0.020 . 1 . . . . 116 ILE HD11 . 26777 1 1426 . 1 1 127 127 ILE HD12 H 1 0.366 0.020 . 1 . . . . 116 ILE HD12 . 26777 1 1427 . 1 1 127 127 ILE HD13 H 1 0.366 0.020 . 1 . . . . 116 ILE HD13 . 26777 1 1428 . 1 1 127 127 ILE C C 13 177.487 0.200 . 1 . . . . 116 ILE C . 26777 1 1429 . 1 1 127 127 ILE CA C 13 61.955 0.200 . 1 . . . . 116 ILE CA . 26777 1 1430 . 1 1 127 127 ILE CB C 13 36.189 0.200 . 1 . . . . 116 ILE CB . 26777 1 1431 . 1 1 127 127 ILE CG1 C 13 27.513 0.200 . 1 . . . . 116 ILE CG1 . 26777 1 1432 . 1 1 127 127 ILE CG2 C 13 17.308 0.200 . 1 . . . . 116 ILE CG2 . 26777 1 1433 . 1 1 127 127 ILE CD1 C 13 10.052 0.200 . 1 . . . . 116 ILE CD1 . 26777 1 1434 . 1 1 127 127 ILE N N 15 119.617 0.200 . 1 . . . . 116 ILE N . 26777 1 1435 . 1 1 128 128 LYS H H 1 8.252 0.020 . 1 . . . . 117 LYS H . 26777 1 1436 . 1 1 128 128 LYS HA H 1 3.989 0.020 . 1 . . . . 117 LYS HA . 26777 1 1437 . 1 1 128 128 LYS HB2 H 1 1.869 0.020 . 2 . . . . 117 LYS HB2 . 26777 1 1438 . 1 1 128 128 LYS HB3 H 1 1.970 0.020 . 2 . . . . 117 LYS HB3 . 26777 1 1439 . 1 1 128 128 LYS C C 13 178.945 0.200 . 1 . . . . 117 LYS C . 26777 1 1440 . 1 1 128 128 LYS CA C 13 59.040 0.200 . 1 . . . . 117 LYS CA . 26777 1 1441 . 1 1 128 128 LYS CB C 13 32.130 0.200 . 1 . . . . 117 LYS CB . 26777 1 1442 . 1 1 128 128 LYS CG C 13 25.258 0.200 . 1 . . . . 117 LYS CG . 26777 1 1443 . 1 1 128 128 LYS CD C 13 29.173 0.200 . 1 . . . . 117 LYS CD . 26777 1 1444 . 1 1 128 128 LYS CE C 13 42.139 0.200 . 1 . . . . 117 LYS CE . 26777 1 1445 . 1 1 128 128 LYS N N 15 120.150 0.200 . 1 . . . . 117 LYS N . 26777 1 1446 . 1 1 129 129 LYS H H 1 7.511 0.020 . 1 . . . . 118 LYS H . 26777 1 1447 . 1 1 129 129 LYS HA H 1 4.097 0.020 . 1 . . . . 118 LYS HA . 26777 1 1448 . 1 1 129 129 LYS HB2 H 1 2.030 0.020 . 2 . . . . 118 LYS HB2 . 26777 1 1449 . 1 1 129 129 LYS HB3 H 1 2.033 0.020 . 2 . . . . 118 LYS HB3 . 26777 1 1450 . 1 1 129 129 LYS HG2 H 1 1.478 0.020 . 1 . . . . 118 LYS HG2 . 26777 1 1451 . 1 1 129 129 LYS HG3 H 1 1.478 0.020 . 1 . . . . 118 LYS HG3 . 26777 1 1452 . 1 1 129 129 LYS HD2 H 1 1.708 0.020 . 1 . . . . 118 LYS HD2 . 26777 1 1453 . 1 1 129 129 LYS HD3 H 1 1.708 0.020 . 1 . . . . 118 LYS HD3 . 26777 1 1454 . 1 1 129 129 LYS HE2 H 1 2.987 0.020 . 1 . . . . 118 LYS HE2 . 26777 1 1455 . 1 1 129 129 LYS HE3 H 1 2.987 0.020 . 1 . . . . 118 LYS HE3 . 26777 1 1456 . 1 1 129 129 LYS C C 13 178.644 0.200 . 1 . . . . 118 LYS C . 26777 1 1457 . 1 1 129 129 LYS CA C 13 59.000 0.200 . 1 . . . . 118 LYS CA . 26777 1 1458 . 1 1 129 129 LYS CB C 13 32.636 0.200 . 1 . . . . 118 LYS CB . 26777 1 1459 . 1 1 129 129 LYS CG C 13 24.907 0.200 . 1 . . . . 118 LYS CG . 26777 1 1460 . 1 1 129 129 LYS CD C 13 29.257 0.200 . 1 . . . . 118 LYS CD . 26777 1 1461 . 1 1 129 129 LYS CE C 13 42.262 0.200 . 1 . . . . 118 LYS CE . 26777 1 1462 . 1 1 129 129 LYS N N 15 117.749 0.200 . 1 . . . . 118 LYS N . 26777 1 1463 . 1 1 130 130 VAL H H 1 7.845 0.020 . 1 . . . . 119 VAL H . 26777 1 1464 . 1 1 130 130 VAL HA H 1 4.247 0.020 . 1 . . . . 119 VAL HA . 26777 1 1465 . 1 1 130 130 VAL HB H 1 2.227 0.020 . 1 . . . . 119 VAL HB . 26777 1 1466 . 1 1 130 130 VAL HG11 H 1 0.966 0.020 . 2 . . . . 119 VAL HG11 . 26777 1 1467 . 1 1 130 130 VAL HG12 H 1 0.966 0.020 . 2 . . . . 119 VAL HG12 . 26777 1 1468 . 1 1 130 130 VAL HG13 H 1 0.966 0.020 . 2 . . . . 119 VAL HG13 . 26777 1 1469 . 1 1 130 130 VAL HG21 H 1 0.954 0.020 . 2 . . . . 119 VAL HG21 . 26777 1 1470 . 1 1 130 130 VAL HG22 H 1 0.954 0.020 . 2 . . . . 119 VAL HG22 . 26777 1 1471 . 1 1 130 130 VAL HG23 H 1 0.954 0.020 . 2 . . . . 119 VAL HG23 . 26777 1 1472 . 1 1 130 130 VAL C C 13 176.425 0.200 . 1 . . . . 119 VAL C . 26777 1 1473 . 1 1 130 130 VAL CA C 13 63.493 0.200 . 1 . . . . 119 VAL CA . 26777 1 1474 . 1 1 130 130 VAL CB C 13 32.208 0.200 . 1 . . . . 119 VAL CB . 26777 1 1475 . 1 1 130 130 VAL CG1 C 13 22.188 0.200 . 2 . . . . 119 VAL CG1 . 26777 1 1476 . 1 1 130 130 VAL CG2 C 13 20.042 0.200 . 2 . . . . 119 VAL CG2 . 26777 1 1477 . 1 1 130 130 VAL N N 15 111.050 0.200 . 1 . . . . 119 VAL N . 26777 1 1478 . 1 1 131 131 LEU H H 1 8.154 0.020 . 1 . . . . 120 LEU H . 26777 1 1479 . 1 1 131 131 LEU HA H 1 4.558 0.020 . 1 . . . . 120 LEU HA . 26777 1 1480 . 1 1 131 131 LEU HB2 H 1 1.713 0.020 . 2 . . . . 120 LEU HB2 . 26777 1 1481 . 1 1 131 131 LEU HB3 H 1 1.696 0.020 . 2 . . . . 120 LEU HB3 . 26777 1 1482 . 1 1 131 131 LEU HG H 1 1.581 0.020 . 1 . . . . 120 LEU HG . 26777 1 1483 . 1 1 131 131 LEU HD11 H 1 0.736 0.020 . 2 . . . . 120 LEU HD11 . 26777 1 1484 . 1 1 131 131 LEU HD12 H 1 0.736 0.020 . 2 . . . . 120 LEU HD12 . 26777 1 1485 . 1 1 131 131 LEU HD13 H 1 0.736 0.020 . 2 . . . . 120 LEU HD13 . 26777 1 1486 . 1 1 131 131 LEU HD21 H 1 0.637 0.020 . 2 . . . . 120 LEU HD21 . 26777 1 1487 . 1 1 131 131 LEU HD22 H 1 0.637 0.020 . 2 . . . . 120 LEU HD22 . 26777 1 1488 . 1 1 131 131 LEU HD23 H 1 0.637 0.020 . 2 . . . . 120 LEU HD23 . 26777 1 1489 . 1 1 131 131 LEU C C 13 176.949 0.200 . 1 . . . . 120 LEU C . 26777 1 1490 . 1 1 131 131 LEU CA C 13 55.277 0.200 . 1 . . . . 120 LEU CA . 26777 1 1491 . 1 1 131 131 LEU CB C 13 43.281 0.200 . 1 . . . . 120 LEU CB . 26777 1 1492 . 1 1 131 131 LEU CG C 13 27.054 0.200 . 1 . . . . 120 LEU CG . 26777 1 1493 . 1 1 131 131 LEU CD1 C 13 24.279 0.200 . 2 . . . . 120 LEU CD1 . 26777 1 1494 . 1 1 131 131 LEU CD2 C 13 25.506 0.200 . 2 . . . . 120 LEU CD2 . 26777 1 1495 . 1 1 131 131 LEU N N 15 119.958 0.200 . 1 . . . . 120 LEU N . 26777 1 1496 . 1 1 132 132 GLY H H 1 7.718 0.020 . 1 . . . . 121 GLY H . 26777 1 1497 . 1 1 132 132 GLY HA2 H 1 3.762 0.020 . 2 . . . . 121 GLY HA2 . 26777 1 1498 . 1 1 132 132 GLY HA3 H 1 3.948 0.020 . 2 . . . . 121 GLY HA3 . 26777 1 1499 . 1 1 132 132 GLY C C 13 179.140 0.200 . 1 . . . . 121 GLY C . 26777 1 1500 . 1 1 132 132 GLY CA C 13 46.449 0.200 . 1 . . . . 121 GLY CA . 26777 1 1501 . 1 1 132 132 GLY N N 15 114.620 0.200 . 1 . . . . 121 GLY N . 26777 1 stop_ save_