data_19367 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19367 _Entry.Title ; Solution structure of the complex formed by the region 2 of E. coli sigmaE and its cognate -10 non template element TGTCAAA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-07-16 _Entry.Accession_date 2013-07-16 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'Solution structure of the complex formed by the region 2 of E. coli sigmaE and its cognate -10 non template element TGTCAAA' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Sebastien Campagne . . . 19367 2 Julia Vorholt . A. . 19367 3 Frederic Allain . H-T . 19367 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' . 19367 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID '-10 element recognition' . 19367 'ECF sigma factor' . 19367 'Protein-ssDNA complex' . 19367 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19367 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 317 19367 '15N chemical shifts' 103 19367 '1H chemical shifts' 684 19367 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 . . 2014-05-05 2013-07-16 update BMRB 'update entry citation' 19367 1 . . 2014-02-10 2013-07-16 original author 'original release' 19367 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19366 'NMR structure of region 2 of E. coli sigmaE' 19367 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19367 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24531660 _Citation.Full_citation . _Citation.Title 'Structural basis for -10 promoter element melting by environmentally induced sigma factors.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full 'Nature structural & molecular biology' _Citation.Journal_volume 21 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 269 _Citation.Page_last 276 _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sebastien Campagne . . . 19367 1 2 May Marsh . E. . 19367 1 3 Guido Capitani . . . 19367 1 4 Julia Vorholt . A. . 19367 1 5 'Frederic H-T' Allain . . . 19367 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19367 _Assembly.ID 1 _Assembly.Name 'complex formed by the region 2 of E. coli sigmaE and its cognate -10 non template element TGTCAAA' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'region 2 of E. coli sigmaE' 1 $entity_1 A . yes native no no . . . 19367 1 2 'non template strand' 2 $entity_2 B . no native no no . . . 19367 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 19367 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSEQLTDQVLVERVQKGDQK AFNLLVVRYQHKVASLVSRY VPSGDVPDVVQEAFIKAYRA LDSFRGDSAFYTWLYRIAVN TAKNYLVAQGRRLELV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11024.694 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19366 . entity . . . . . 100.00 106 100.00 100.00 1.08e-61 . . . . 19367 1 2 no PDB 1OR7 . "Crystal Structure Of Escherichia Coli Sigmae With The Cytoplasmic Domain Of Its Anti-Sigma Rsea" . . . . . 95.83 194 100.00 100.00 1.67e-58 . . . . 19367 1 3 no PDB 2MAO . "Nmr Structure Of Region 2 Of E. Coli Sigmae" . . . . . 100.00 106 100.00 100.00 1.08e-61 . . . . 19367 1 4 no PDB 2MAP . "Solution Structure Of The Complex Formed By The Region 2 Of E. Coli Sigmae And Its Cognate -10 Promoter Element Non Template St" . . . . . 100.00 96 100.00 100.00 1.11e-61 . . . . 19367 1 5 no PDB 4LUP . "Crystal Structure Of The Complex Formed By Region Of E. Coli Sigmae Bound To Its -10 Element Non Template Strand" . . . . . 100.00 106 100.00 100.00 1.08e-61 . . . . 19367 1 6 no DBJ BAA10920 . "RNA polymerase sigma E [Escherichia coli K-12]" . . . . . 95.83 202 100.00 100.00 3.00e-58 . . . . 19367 1 7 no DBJ BAB36862 . "RNA polymerase sigma-E factor [Escherichia coli O157:H7 str. Sakai]" . . . . . 95.83 191 100.00 100.00 1.32e-58 . . . . 19367 1 8 no DBJ BAE76749 . "RNA polymerase, sigma 24 (sigma E) factor [Escherichia coli str. K12 substr. W3110]" . . . . . 95.83 191 100.00 100.00 1.32e-58 . . . . 19367 1 9 no DBJ BAG78385 . "RNA polymerase sigma-E factor [Escherichia coli SE11]" . . . . . 95.83 191 100.00 100.00 1.32e-58 . . . . 19367 1 10 no DBJ BAI26818 . "RNA polymerase, sigma 24 factor [Escherichia coli O26:H11 str. 11368]" . . . . . 95.83 191 100.00 100.00 1.32e-58 . . . . 19367 1 11 no EMBL CAD02789 . "RNA polymerase sigma-E factor (sigma-24) [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 95.83 191 98.91 100.00 3.79e-58 . . . . 19367 1 12 no EMBL CAP77019 . "RNA polymerase sigma-E factor [Escherichia coli LF82]" . . . . . 95.83 191 100.00 100.00 1.32e-58 . . . . 19367 1 13 no EMBL CAQ32948 . "RNA polymerase, sigma 24 (sigma E) factor, subunit of RNA polymerase sigma 24 [Escherichia coli BL21(DE3)]" . . . . . 95.83 191 100.00 100.00 1.32e-58 . . . . 19367 1 14 no EMBL CAQ88049 . "RNA polymerase, sigma 24 (sigma E) factor [Escherichia fergusonii ATCC 35469]" . . . . . 95.83 191 98.91 98.91 1.01e-57 . . . . 19367 1 15 no EMBL CAQ99523 . "RNA polymerase, sigma 24 (sigma E) factor [Escherichia coli IAI1]" . . . . . 95.83 191 100.00 100.00 1.32e-58 . . . . 19367 1 16 no GB AAA57186 . "sigma factor [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 95.83 191 98.91 100.00 3.79e-58 . . . . 19367 1 17 no GB AAC45314 . "RpoE [Escherichia coli str. K-12 substr. W3110]" . . . . . 95.83 191 100.00 100.00 1.32e-58 . . . . 19367 1 18 no GB AAC75626 . "RNA polymerase sigma E factor [Escherichia coli str. K-12 substr. MG1655]" . . . . . 95.83 191 100.00 100.00 1.32e-58 . . . . 19367 1 19 no GB AAG57689 . "RNA polymerase, sigma-E factor; heat shock and oxidative stress [Escherichia coli O157:H7 str. EDL933]" . . . . . 95.83 191 100.00 100.00 1.32e-58 . . . . 19367 1 20 no GB AAL21534 . "sigma E (sigma 24) factor of RNA polymerase [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 95.83 191 98.91 100.00 3.79e-58 . . . . 19367 1 21 no PIR AI0829 . "RNA polymerase sigma-E factor (sigma-24) [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 95.83 191 98.91 100.00 3.79e-58 . . . . 19367 1 22 no REF NP_311466 . "RNA polymerase sigma factor RpoE [Escherichia coli O157:H7 str. Sakai]" . . . . . 95.83 191 100.00 100.00 1.32e-58 . . . . 19367 1 23 no REF NP_417068 . "RNA polymerase sigma E factor [Escherichia coli str. K-12 substr. MG1655]" . . . . . 95.83 191 100.00 100.00 1.32e-58 . . . . 19367 1 24 no REF NP_457116 . "RNA polymerase sigma-E factor [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 95.83 191 98.91 100.00 3.79e-58 . . . . 19367 1 25 no REF NP_461575 . "ECF RNA polymerase sigma factor RpoE [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 95.83 191 98.91 100.00 3.79e-58 . . . . 19367 1 26 no REF NP_708425 . "RNA polymerase sigma factor RpoE [Shigella flexneri 2a str. 301]" . . . . . 95.83 191 100.00 100.00 1.32e-58 . . . . 19367 1 27 no SP D0ZSY9 . "RecName: Full=ECF RNA polymerase sigma-E factor; AltName: Full=RNA polymerase sigma-E factor" . . . . . 95.83 191 98.91 100.00 3.79e-58 . . . . 19367 1 28 no SP P0A2F0 . "RecName: Full=ECF RNA polymerase sigma-E factor; AltName: Full=RNA polymerase sigma-E factor; AltName: Full=Sigma-24" . . . . . 95.83 191 98.91 100.00 3.79e-58 . . . . 19367 1 29 no SP P0A2F1 . "RecName: Full=ECF RNA polymerase sigma-E factor; AltName: Full=RNA polymerase sigma-E factor; AltName: Full=Sigma-24" . . . . . 95.83 191 98.91 100.00 3.79e-58 . . . . 19367 1 30 no SP P0AGB6 . "RecName: Full=ECF RNA polymerase sigma-E factor; AltName: Full=RNA polymerase sigma-E factor; AltName: Full=Sigma-24" . . . . . 95.83 191 100.00 100.00 1.32e-58 . . . . 19367 1 31 no SP P0AGB7 . "RecName: Full=ECF RNA polymerase sigma-E factor; AltName: Full=RNA polymerase sigma-E factor; AltName: Full=Sigma-24" . . . . . 95.83 191 100.00 100.00 1.32e-58 . . . . 19367 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 19367 1 2 . SER . 19367 1 3 . GLU . 19367 1 4 . GLN . 19367 1 5 . LEU . 19367 1 6 . THR . 19367 1 7 . ASP . 19367 1 8 . GLN . 19367 1 9 . VAL . 19367 1 10 . LEU . 19367 1 11 . VAL . 19367 1 12 . GLU . 19367 1 13 . ARG . 19367 1 14 . VAL . 19367 1 15 . GLN . 19367 1 16 . LYS . 19367 1 17 . GLY . 19367 1 18 . ASP . 19367 1 19 . GLN . 19367 1 20 . LYS . 19367 1 21 . ALA . 19367 1 22 . PHE . 19367 1 23 . ASN . 19367 1 24 . LEU . 19367 1 25 . LEU . 19367 1 26 . VAL . 19367 1 27 . VAL . 19367 1 28 . ARG . 19367 1 29 . TYR . 19367 1 30 . GLN . 19367 1 31 . HIS . 19367 1 32 . LYS . 19367 1 33 . VAL . 19367 1 34 . ALA . 19367 1 35 . SER . 19367 1 36 . LEU . 19367 1 37 . VAL . 19367 1 38 . SER . 19367 1 39 . ARG . 19367 1 40 . TYR . 19367 1 41 . VAL . 19367 1 42 . PRO . 19367 1 43 . SER . 19367 1 44 . GLY . 19367 1 45 . ASP . 19367 1 46 . VAL . 19367 1 47 . PRO . 19367 1 48 . ASP . 19367 1 49 . VAL . 19367 1 50 . VAL . 19367 1 51 . GLN . 19367 1 52 . GLU . 19367 1 53 . ALA . 19367 1 54 . PHE . 19367 1 55 . ILE . 19367 1 56 . LYS . 19367 1 57 . ALA . 19367 1 58 . TYR . 19367 1 59 . ARG . 19367 1 60 . ALA . 19367 1 61 . LEU . 19367 1 62 . ASP . 19367 1 63 . SER . 19367 1 64 . PHE . 19367 1 65 . ARG . 19367 1 66 . GLY . 19367 1 67 . ASP . 19367 1 68 . SER . 19367 1 69 . ALA . 19367 1 70 . PHE . 19367 1 71 . TYR . 19367 1 72 . THR . 19367 1 73 . TRP . 19367 1 74 . LEU . 19367 1 75 . TYR . 19367 1 76 . ARG . 19367 1 77 . ILE . 19367 1 78 . ALA . 19367 1 79 . VAL . 19367 1 80 . ASN . 19367 1 81 . THR . 19367 1 82 . ALA . 19367 1 83 . LYS . 19367 1 84 . ASN . 19367 1 85 . TYR . 19367 1 86 . LEU . 19367 1 87 . VAL . 19367 1 88 . ALA . 19367 1 89 . GLN . 19367 1 90 . GLY . 19367 1 91 . ARG . 19367 1 92 . ARG . 19367 1 93 . LEU . 19367 1 94 . GLU . 19367 1 95 . LEU . 19367 1 96 . VAL . 19367 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 19367 1 . SER 2 2 19367 1 . GLU 3 3 19367 1 . GLN 4 4 19367 1 . LEU 5 5 19367 1 . THR 6 6 19367 1 . ASP 7 7 19367 1 . GLN 8 8 19367 1 . VAL 9 9 19367 1 . LEU 10 10 19367 1 . VAL 11 11 19367 1 . GLU 12 12 19367 1 . ARG 13 13 19367 1 . VAL 14 14 19367 1 . GLN 15 15 19367 1 . LYS 16 16 19367 1 . GLY 17 17 19367 1 . ASP 18 18 19367 1 . GLN 19 19 19367 1 . LYS 20 20 19367 1 . ALA 21 21 19367 1 . PHE 22 22 19367 1 . ASN 23 23 19367 1 . LEU 24 24 19367 1 . LEU 25 25 19367 1 . VAL 26 26 19367 1 . VAL 27 27 19367 1 . ARG 28 28 19367 1 . TYR 29 29 19367 1 . GLN 30 30 19367 1 . HIS 31 31 19367 1 . LYS 32 32 19367 1 . VAL 33 33 19367 1 . ALA 34 34 19367 1 . SER 35 35 19367 1 . LEU 36 36 19367 1 . VAL 37 37 19367 1 . SER 38 38 19367 1 . ARG 39 39 19367 1 . TYR 40 40 19367 1 . VAL 41 41 19367 1 . PRO 42 42 19367 1 . SER 43 43 19367 1 . GLY 44 44 19367 1 . ASP 45 45 19367 1 . VAL 46 46 19367 1 . PRO 47 47 19367 1 . ASP 48 48 19367 1 . VAL 49 49 19367 1 . VAL 50 50 19367 1 . GLN 51 51 19367 1 . GLU 52 52 19367 1 . ALA 53 53 19367 1 . PHE 54 54 19367 1 . ILE 55 55 19367 1 . LYS 56 56 19367 1 . ALA 57 57 19367 1 . TYR 58 58 19367 1 . ARG 59 59 19367 1 . ALA 60 60 19367 1 . LEU 61 61 19367 1 . ASP 62 62 19367 1 . SER 63 63 19367 1 . PHE 64 64 19367 1 . ARG 65 65 19367 1 . GLY 66 66 19367 1 . ASP 67 67 19367 1 . SER 68 68 19367 1 . ALA 69 69 19367 1 . PHE 70 70 19367 1 . TYR 71 71 19367 1 . THR 72 72 19367 1 . TRP 73 73 19367 1 . LEU 74 74 19367 1 . TYR 75 75 19367 1 . ARG 76 76 19367 1 . ILE 77 77 19367 1 . ALA 78 78 19367 1 . VAL 79 79 19367 1 . ASN 80 80 19367 1 . THR 81 81 19367 1 . ALA 82 82 19367 1 . LYS 83 83 19367 1 . ASN 84 84 19367 1 . TYR 85 85 19367 1 . LEU 86 86 19367 1 . VAL 87 87 19367 1 . ALA 88 88 19367 1 . GLN 89 89 19367 1 . GLY 90 90 19367 1 . ARG 91 91 19367 1 . ARG 92 92 19367 1 . LEU 93 93 19367 1 . GLU 94 94 19367 1 . LEU 95 95 19367 1 . VAL 96 96 19367 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 19367 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code TGTCAAA _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'part of the -10 element non template strand' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11024.694 _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 . DT . 19367 2 2 . DG . 19367 2 3 . DT . 19367 2 4 . DC . 19367 2 5 . DA . 19367 2 6 . DA . 19367 2 7 . DA . 19367 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . DT 1 1 19367 2 . DG 2 2 19367 2 . DT 3 3 19367 2 . DC 4 4 19367 2 . DA 5 5 19367 2 . DA 6 6 19367 2 . DA 7 7 19367 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19367 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 19367 1 2 2 $entity_2 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . 'Synthetic oligonucleotide' . . 19367 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 19367 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21DE3 . . . . . . . . . . . . . . . pET26BII . . . . . . 19367 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19367 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.8 . . mM . . . . 19367 1 2 entity_2 'natural abundance' . . 2 $entity_2 . . 0.8 . . mM . . . . 19367 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19367 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19367 1 5 NaPO4 'natural abundance' . . . . . . 10 . . mM . . . . 19367 1 6 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 19367 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19367 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.8 . . mM . . . . 19367 2 2 entity_2 'natural abundance' . . 2 $entity_2 . . 0.8 . . mM . . . . 19367 2 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19367 2 4 NaPO4 'natural abundance' . . . . . . 10 . . mM . . . . 19367 2 5 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 19367 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 19367 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.07 . M 19367 1 pH 6.5 . pH 19367 1 pressure 1 . atm 19367 1 temperature 303 . K 19367 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19367 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19367 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19367 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19367 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19367 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19367 2 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 19367 _Software.ID 3 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 19367 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19367 3 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19367 _Software.ID 4 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19367 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19367 4 'data analysis' 19367 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19367 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'cryo probbed' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19367 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'cryo probbed' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19367 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'cryo probbed' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19367 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 'cryo probbed' . . 19367 1 2 spectrometer_2 Bruker Avance . 700 'cryo probbed' . . 19367 1 3 spectrometer_3 Bruker Avance . 900 'cryo probbed' . . 19367 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 19367 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19367 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19367 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19367 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19367 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19367 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19367 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19367 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19367 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19367 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19367 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19367 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 19367 1 13 '2D NOESY 1H-1H F1F2F' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19367 1 14 '2D NOESY 1H-1H F2F' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19367 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 19367 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . . . . . 19367 1 H 1 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . . . . . 19367 1 N 15 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . . . . . 19367 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 19367 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _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' . . . 19367 1 2 '2D 1H-13C HSQC' . . . 19367 1 3 '2D 1H-13C HSQC aromatic' . . . 19367 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 GLN H H 1 8.500 0.020 . 1 . . . A 4 GLN H . 19367 1 2 . 1 1 4 4 GLN HA H 1 4.307 0.020 . 1 . . . A 4 GLN HA . 19367 1 3 . 1 1 4 4 GLN HB2 H 1 2.013 0.020 . 2 . . . A 4 GLN HB2 . 19367 1 4 . 1 1 4 4 GLN HB3 H 1 1.932 0.020 . 2 . . . A 4 GLN HB3 . 19367 1 5 . 1 1 4 4 GLN HG2 H 1 2.329 0.020 . 1 . . . A 4 GLN HG2 . 19367 1 6 . 1 1 4 4 GLN HG3 H 1 2.329 0.020 . 1 . . . A 4 GLN HG3 . 19367 1 7 . 1 1 4 4 GLN HE21 H 1 7.435 0.020 . 1 . . . A 4 GLN HE21 . 19367 1 8 . 1 1 4 4 GLN HE22 H 1 6.803 0.020 . 1 . . . A 4 GLN HE22 . 19367 1 9 . 1 1 4 4 GLN CA C 13 55.724 0.3 . 1 . . . A 4 GLN CA . 19367 1 10 . 1 1 4 4 GLN CB C 13 29.297 0.3 . 1 . . . A 4 GLN CB . 19367 1 11 . 1 1 4 4 GLN CG C 13 33.588 0.3 . 1 . . . A 4 GLN CG . 19367 1 12 . 1 1 4 4 GLN N N 15 121.848 0.3 . 1 . . . A 4 GLN N . 19367 1 13 . 1 1 4 4 GLN NE2 N 15 112.407 0.3 . 1 . . . A 4 GLN NE2 . 19367 1 14 . 1 1 5 5 LEU H H 1 8.565 0.020 . 1 . . . A 5 LEU H . 19367 1 15 . 1 1 5 5 LEU HA H 1 4.548 0.020 . 1 . . . A 5 LEU HA . 19367 1 16 . 1 1 5 5 LEU HB2 H 1 1.670 0.020 . 2 . . . A 5 LEU HB2 . 19367 1 17 . 1 1 5 5 LEU HB3 H 1 1.319 0.020 . 2 . . . A 5 LEU HB3 . 19367 1 18 . 1 1 5 5 LEU HG H 1 1.598 0.020 . 1 . . . A 5 LEU HG . 19367 1 19 . 1 1 5 5 LEU HD11 H 1 0.823 0.020 . 1 . . . A 5 LEU HD11 . 19367 1 20 . 1 1 5 5 LEU HD12 H 1 0.823 0.020 . 1 . . . A 5 LEU HD12 . 19367 1 21 . 1 1 5 5 LEU HD13 H 1 0.823 0.020 . 1 . . . A 5 LEU HD13 . 19367 1 22 . 1 1 5 5 LEU HD21 H 1 0.852 0.020 . 1 . . . A 5 LEU HD21 . 19367 1 23 . 1 1 5 5 LEU HD22 H 1 0.852 0.020 . 1 . . . A 5 LEU HD22 . 19367 1 24 . 1 1 5 5 LEU HD23 H 1 0.852 0.020 . 1 . . . A 5 LEU HD23 . 19367 1 25 . 1 1 5 5 LEU CA C 13 53.785 0.3 . 1 . . . A 5 LEU CA . 19367 1 26 . 1 1 5 5 LEU CB C 13 41.886 0.3 . 1 . . . A 5 LEU CB . 19367 1 27 . 1 1 5 5 LEU CG C 13 26.742 0.3 . 1 . . . A 5 LEU CG . 19367 1 28 . 1 1 5 5 LEU CD1 C 13 23.370 0.3 . 1 . . . A 5 LEU CD1 . 19367 1 29 . 1 1 5 5 LEU CD2 C 13 25.601 0.3 . 1 . . . A 5 LEU CD2 . 19367 1 30 . 1 1 5 5 LEU N N 15 124.347 0.3 . 1 . . . A 5 LEU N . 19367 1 31 . 1 1 6 6 THR H H 1 7.950 0.020 . 1 . . . A 6 THR H . 19367 1 32 . 1 1 6 6 THR HA H 1 4.353 0.020 . 1 . . . A 6 THR HA . 19367 1 33 . 1 1 6 6 THR HB H 1 4.790 0.020 . 1 . . . A 6 THR HB . 19367 1 34 . 1 1 6 6 THR HG21 H 1 1.381 0.020 . 1 . . . A 6 THR HG21 . 19367 1 35 . 1 1 6 6 THR HG22 H 1 1.381 0.020 . 1 . . . A 6 THR HG22 . 19367 1 36 . 1 1 6 6 THR HG23 H 1 1.381 0.020 . 1 . . . A 6 THR HG23 . 19367 1 37 . 1 1 6 6 THR CA C 13 61.195 0.3 . 1 . . . A 6 THR CA . 19367 1 38 . 1 1 6 6 THR CB C 13 70.541 0.3 . 1 . . . A 6 THR CB . 19367 1 39 . 1 1 6 6 THR CG2 C 13 22.284 0.3 . 1 . . . A 6 THR CG2 . 19367 1 40 . 1 1 6 6 THR N N 15 114.442 0.3 . 1 . . . A 6 THR N . 19367 1 41 . 1 1 7 7 ASP H H 1 9.008 0.020 . 1 . . . A 7 ASP H . 19367 1 42 . 1 1 7 7 ASP HA H 1 4.197 0.020 . 1 . . . A 7 ASP HA . 19367 1 43 . 1 1 7 7 ASP HB2 H 1 2.958 0.020 . 2 . . . A 7 ASP HB2 . 19367 1 44 . 1 1 7 7 ASP HB3 H 1 2.590 0.020 . 2 . . . A 7 ASP HB3 . 19367 1 45 . 1 1 7 7 ASP CA C 13 57.820 0.3 . 1 . . . A 7 ASP CA . 19367 1 46 . 1 1 7 7 ASP CB C 13 39.621 0.3 . 1 . . . A 7 ASP CB . 19367 1 47 . 1 1 7 7 ASP N N 15 120.959 0.3 . 1 . . . A 7 ASP N . 19367 1 48 . 1 1 8 8 GLN H H 1 8.561 0.020 . 1 . . . A 8 GLN H . 19367 1 49 . 1 1 8 8 GLN HA H 1 4.012 0.020 . 1 . . . A 8 GLN HA . 19367 1 50 . 1 1 8 8 GLN HB2 H 1 2.206 0.020 . 2 . . . A 8 GLN HB2 . 19367 1 51 . 1 1 8 8 GLN HB3 H 1 2.025 0.020 . 2 . . . A 8 GLN HB3 . 19367 1 52 . 1 1 8 8 GLN HG2 H 1 2.540 0.020 . 1 . . . A 8 GLN HG2 . 19367 1 53 . 1 1 8 8 GLN HG3 H 1 2.540 0.020 . 1 . . . A 8 GLN HG3 . 19367 1 54 . 1 1 8 8 GLN HE21 H 1 6.810 0.020 . 1 . . . A 8 GLN HE21 . 19367 1 55 . 1 1 8 8 GLN HE22 H 1 7.693 0.020 . 1 . . . A 8 GLN HE22 . 19367 1 56 . 1 1 8 8 GLN CA C 13 59.746 0.3 . 1 . . . A 8 GLN CA . 19367 1 57 . 1 1 8 8 GLN CB C 13 28.188 0.3 . 1 . . . A 8 GLN CB . 19367 1 58 . 1 1 8 8 GLN CG C 13 33.882 0.3 . 1 . . . A 8 GLN CG . 19367 1 59 . 1 1 8 8 GLN N N 15 116.649 0.3 . 1 . . . A 8 GLN N . 19367 1 60 . 1 1 8 8 GLN NE2 N 15 111.754 0.3 . 1 . . . A 8 GLN NE2 . 19367 1 61 . 1 1 9 9 VAL H H 1 7.450 0.020 . 1 . . . A 9 VAL H . 19367 1 62 . 1 1 9 9 VAL HA H 1 3.760 0.020 . 1 . . . A 9 VAL HA . 19367 1 63 . 1 1 9 9 VAL HB H 1 2.162 0.020 . 1 . . . A 9 VAL HB . 19367 1 64 . 1 1 9 9 VAL HG11 H 1 1.099 0.020 . 1 . . . A 9 VAL HG11 . 19367 1 65 . 1 1 9 9 VAL HG12 H 1 1.099 0.020 . 1 . . . A 9 VAL HG12 . 19367 1 66 . 1 1 9 9 VAL HG13 H 1 1.099 0.020 . 1 . . . A 9 VAL HG13 . 19367 1 67 . 1 1 9 9 VAL HG21 H 1 0.956 0.020 . 1 . . . A 9 VAL HG21 . 19367 1 68 . 1 1 9 9 VAL HG22 H 1 0.956 0.020 . 1 . . . A 9 VAL HG22 . 19367 1 69 . 1 1 9 9 VAL HG23 H 1 0.956 0.020 . 1 . . . A 9 VAL HG23 . 19367 1 70 . 1 1 9 9 VAL CA C 13 66.108 0.3 . 1 . . . A 9 VAL CA . 19367 1 71 . 1 1 9 9 VAL CB C 13 31.558 0.3 . 1 . . . A 9 VAL CB . 19367 1 72 . 1 1 9 9 VAL CG1 C 13 21.629 0.3 . 1 . . . A 9 VAL CG1 . 19367 1 73 . 1 1 9 9 VAL CG2 C 13 21.343 0.3 . 1 . . . A 9 VAL CG2 . 19367 1 74 . 1 1 9 9 VAL N N 15 120.579 0.3 . 1 . . . A 9 VAL N . 19367 1 75 . 1 1 10 10 LEU H H 1 7.865 0.020 . 1 . . . A 10 LEU H . 19367 1 76 . 1 1 10 10 LEU HA H 1 3.917 0.020 . 1 . . . A 10 LEU HA . 19367 1 77 . 1 1 10 10 LEU HB2 H 1 2.006 0.020 . 1 . . . A 10 LEU HB2 . 19367 1 78 . 1 1 10 10 LEU HB3 H 1 2.006 0.020 . 1 . . . A 10 LEU HB3 . 19367 1 79 . 1 1 10 10 LEU HG H 1 1.717 0.020 . 1 . . . A 10 LEU HG . 19367 1 80 . 1 1 10 10 LEU HD11 H 1 0.891 0.020 . 1 . . . A 10 LEU HD11 . 19367 1 81 . 1 1 10 10 LEU HD12 H 1 0.891 0.020 . 1 . . . A 10 LEU HD12 . 19367 1 82 . 1 1 10 10 LEU HD13 H 1 0.891 0.020 . 1 . . . A 10 LEU HD13 . 19367 1 83 . 1 1 10 10 LEU HD21 H 1 0.732 0.020 . 1 . . . A 10 LEU HD21 . 19367 1 84 . 1 1 10 10 LEU HD22 H 1 0.732 0.020 . 1 . . . A 10 LEU HD22 . 19367 1 85 . 1 1 10 10 LEU HD23 H 1 0.732 0.020 . 1 . . . A 10 LEU HD23 . 19367 1 86 . 1 1 10 10 LEU CA C 13 58.415 0.3 . 1 . . . A 10 LEU CA . 19367 1 87 . 1 1 10 10 LEU CB C 13 41.299 0.3 . 1 . . . A 10 LEU CB . 19367 1 88 . 1 1 10 10 LEU CG C 13 26.808 0.3 . 1 . . . A 10 LEU CG . 19367 1 89 . 1 1 10 10 LEU CD1 C 13 23.711 0.3 . 1 . . . A 10 LEU CD1 . 19367 1 90 . 1 1 10 10 LEU CD2 C 13 25.168 0.3 . 1 . . . A 10 LEU CD2 . 19367 1 91 . 1 1 10 10 LEU N N 15 119.806 0.3 . 1 . . . A 10 LEU N . 19367 1 92 . 1 1 11 11 VAL H H 1 8.734 0.020 . 1 . . . A 11 VAL H . 19367 1 93 . 1 1 11 11 VAL HA H 1 3.280 0.020 . 1 . . . A 11 VAL HA . 19367 1 94 . 1 1 11 11 VAL HB H 1 2.192 0.020 . 1 . . . A 11 VAL HB . 19367 1 95 . 1 1 11 11 VAL HG11 H 1 0.969 0.020 . 1 . . . A 11 VAL HG11 . 19367 1 96 . 1 1 11 11 VAL HG12 H 1 0.969 0.020 . 1 . . . A 11 VAL HG12 . 19367 1 97 . 1 1 11 11 VAL HG13 H 1 0.969 0.020 . 1 . . . A 11 VAL HG13 . 19367 1 98 . 1 1 11 11 VAL HG21 H 1 0.812 0.020 . 1 . . . A 11 VAL HG21 . 19367 1 99 . 1 1 11 11 VAL HG22 H 1 0.812 0.020 . 1 . . . A 11 VAL HG22 . 19367 1 100 . 1 1 11 11 VAL HG23 H 1 0.812 0.020 . 1 . . . A 11 VAL HG23 . 19367 1 101 . 1 1 11 11 VAL CA C 13 67.631 0.3 . 1 . . . A 11 VAL CA . 19367 1 102 . 1 1 11 11 VAL CB C 13 31.723 0.3 . 1 . . . A 11 VAL CB . 19367 1 103 . 1 1 11 11 VAL CG1 C 13 21.331 0.3 . 1 . . . A 11 VAL CG1 . 19367 1 104 . 1 1 11 11 VAL CG2 C 13 24.321 0.3 . 1 . . . A 11 VAL CG2 . 19367 1 105 . 1 1 11 11 VAL N N 15 119.041 0.3 . 1 . . . A 11 VAL N . 19367 1 106 . 1 1 12 12 GLU H H 1 7.802 0.020 . 1 . . . A 12 GLU H . 19367 1 107 . 1 1 12 12 GLU HA H 1 4.110 0.020 . 1 . . . A 12 GLU HA . 19367 1 108 . 1 1 12 12 GLU HB2 H 1 2.229 0.020 . 1 . . . A 12 GLU HB2 . 19367 1 109 . 1 1 12 12 GLU HB3 H 1 2.229 0.020 . 1 . . . A 12 GLU HB3 . 19367 1 110 . 1 1 12 12 GLU HG2 H 1 2.472 0.020 . 2 . . . A 12 GLU HG2 . 19367 1 111 . 1 1 12 12 GLU HG3 H 1 2.224 0.020 . 2 . . . A 12 GLU HG3 . 19367 1 112 . 1 1 12 12 GLU CA C 13 59.514 0.3 . 1 . . . A 12 GLU CA . 19367 1 113 . 1 1 12 12 GLU CB C 13 28.603 0.3 . 1 . . . A 12 GLU CB . 19367 1 114 . 1 1 12 12 GLU CG C 13 36.622 0.3 . 1 . . . A 12 GLU CG . 19367 1 115 . 1 1 12 12 GLU N N 15 119.018 0.3 . 1 . . . A 12 GLU N . 19367 1 116 . 1 1 13 13 ARG H H 1 8.107 0.020 . 1 . . . A 13 ARG H . 19367 1 117 . 1 1 13 13 ARG HA H 1 4.011 0.020 . 1 . . . A 13 ARG HA . 19367 1 118 . 1 1 13 13 ARG HB2 H 1 1.751 0.020 . 2 . . . A 13 ARG HB2 . 19367 1 119 . 1 1 13 13 ARG HB3 H 1 2.140 0.020 . 2 . . . A 13 ARG HB3 . 19367 1 120 . 1 1 13 13 ARG HG2 H 1 2.008 0.020 . 1 . . . A 13 ARG HG2 . 19367 1 121 . 1 1 13 13 ARG HG3 H 1 2.008 0.020 . 1 . . . A 13 ARG HG3 . 19367 1 122 . 1 1 13 13 ARG HD2 H 1 3.067 0.020 . 1 . . . A 13 ARG HD2 . 19367 1 123 . 1 1 13 13 ARG HD3 H 1 3.067 0.020 . 1 . . . A 13 ARG HD3 . 19367 1 124 . 1 1 13 13 ARG CA C 13 60.016 0.3 . 1 . . . A 13 ARG CA . 19367 1 125 . 1 1 13 13 ARG CB C 13 27.737 0.3 . 1 . . . A 13 ARG CB . 19367 1 126 . 1 1 13 13 ARG CG C 13 29.982 0.3 . 1 . . . A 13 ARG CG . 19367 1 127 . 1 1 13 13 ARG CD C 13 44.190 0.3 . 1 . . . A 13 ARG CD . 19367 1 128 . 1 1 13 13 ARG N N 15 117.242 0.3 . 1 . . . A 13 ARG N . 19367 1 129 . 1 1 14 14 VAL H H 1 8.435 0.020 . 1 . . . A 14 VAL H . 19367 1 130 . 1 1 14 14 VAL HA H 1 3.767 0.020 . 1 . . . A 14 VAL HA . 19367 1 131 . 1 1 14 14 VAL HB H 1 2.307 0.020 . 1 . . . A 14 VAL HB . 19367 1 132 . 1 1 14 14 VAL HG11 H 1 1.077 0.020 . 1 . . . A 14 VAL HG11 . 19367 1 133 . 1 1 14 14 VAL HG12 H 1 1.077 0.020 . 1 . . . A 14 VAL HG12 . 19367 1 134 . 1 1 14 14 VAL HG13 H 1 1.077 0.020 . 1 . . . A 14 VAL HG13 . 19367 1 135 . 1 1 14 14 VAL HG21 H 1 1.319 0.020 . 1 . . . A 14 VAL HG21 . 19367 1 136 . 1 1 14 14 VAL HG22 H 1 1.319 0.020 . 1 . . . A 14 VAL HG22 . 19367 1 137 . 1 1 14 14 VAL HG23 H 1 1.319 0.020 . 1 . . . A 14 VAL HG23 . 19367 1 138 . 1 1 14 14 VAL CA C 13 66.462 0.3 . 1 . . . A 14 VAL CA . 19367 1 139 . 1 1 14 14 VAL CB C 13 31.616 0.3 . 1 . . . A 14 VAL CB . 19367 1 140 . 1 1 14 14 VAL CG1 C 13 23.486 0.3 . 1 . . . A 14 VAL CG1 . 19367 1 141 . 1 1 14 14 VAL CG2 C 13 23.907 0.3 . 1 . . . A 14 VAL CG2 . 19367 1 142 . 1 1 14 14 VAL N N 15 121.430 0.3 . 1 . . . A 14 VAL N . 19367 1 143 . 1 1 15 15 GLN H H 1 8.670 0.020 . 1 . . . A 15 GLN H . 19367 1 144 . 1 1 15 15 GLN HA H 1 4.088 0.020 . 1 . . . A 15 GLN HA . 19367 1 145 . 1 1 15 15 GLN HB2 H 1 2.472 0.020 . 2 . . . A 15 GLN HB2 . 19367 1 146 . 1 1 15 15 GLN HB3 H 1 1.999 0.020 . 2 . . . A 15 GLN HB3 . 19367 1 147 . 1 1 15 15 GLN HG2 H 1 2.659 0.020 . 2 . . . A 15 GLN HG2 . 19367 1 148 . 1 1 15 15 GLN HG3 H 1 2.170 0.020 . 2 . . . A 15 GLN HG3 . 19367 1 149 . 1 1 15 15 GLN HE21 H 1 7.467 0.020 . 1 . . . A 15 GLN HE21 . 19367 1 150 . 1 1 15 15 GLN HE22 H 1 6.658 0.020 . 1 . . . A 15 GLN HE22 . 19367 1 151 . 1 1 15 15 GLN CA C 13 58.628 0.3 . 1 . . . A 15 GLN CA . 19367 1 152 . 1 1 15 15 GLN CB C 13 27.995 0.3 . 1 . . . A 15 GLN CB . 19367 1 153 . 1 1 15 15 GLN CG C 13 34.625 0.3 . 1 . . . A 15 GLN CG . 19367 1 154 . 1 1 15 15 GLN N N 15 120.667 0.3 . 1 . . . A 15 GLN N . 19367 1 155 . 1 1 15 15 GLN NE2 N 15 109.523 0.3 . 1 . . . A 15 GLN NE2 . 19367 1 156 . 1 1 16 16 LYS H H 1 7.700 0.020 . 1 . . . A 16 LYS H . 19367 1 157 . 1 1 16 16 LYS HA H 1 4.374 0.020 . 1 . . . A 16 LYS HA . 19367 1 158 . 1 1 16 16 LYS HB2 H 1 1.884 0.020 . 2 . . . A 16 LYS HB2 . 19367 1 159 . 1 1 16 16 LYS HB3 H 1 2.137 0.020 . 2 . . . A 16 LYS HB3 . 19367 1 160 . 1 1 16 16 LYS HG2 H 1 1.677 0.020 . 2 . . . A 16 LYS HG2 . 19367 1 161 . 1 1 16 16 LYS HG3 H 1 1.496 0.020 . 1 . . . A 16 LYS HG3 . 19367 1 162 . 1 1 16 16 LYS HD2 H 1 1.649 0.020 . 2 . . . A 16 LYS HD2 . 19367 1 163 . 1 1 16 16 LYS HD3 H 1 1.687 0.020 . 2 . . . A 16 LYS HD3 . 19367 1 164 . 1 1 16 16 LYS HE2 H 1 2.979 0.020 . 1 . . . A 16 LYS HE2 . 19367 1 165 . 1 1 16 16 LYS HE3 H 1 2.979 0.020 . 1 . . . A 16 LYS HE3 . 19367 1 166 . 1 1 16 16 LYS CA C 13 56.278 0.3 . 1 . . . A 16 LYS CA . 19367 1 167 . 1 1 16 16 LYS CB C 13 32.299 0.3 . 1 . . . A 16 LYS CB . 19367 1 168 . 1 1 16 16 LYS CG C 13 25.704 0.3 . 1 . . . A 16 LYS CG . 19367 1 169 . 1 1 16 16 LYS CD C 13 29.044 0.3 . 1 . . . A 16 LYS CD . 19367 1 170 . 1 1 16 16 LYS CE C 13 42.432 0.3 . 1 . . . A 16 LYS CE . 19367 1 171 . 1 1 16 16 LYS N N 15 116.797 0.3 . 1 . . . A 16 LYS N . 19367 1 172 . 1 1 17 17 GLY H H 1 7.927 0.020 . 1 . . . A 17 GLY H . 19367 1 173 . 1 1 17 17 GLY HA2 H 1 4.478 0.020 . 2 . . . A 17 GLY HA2 . 19367 1 174 . 1 1 17 17 GLY HA3 H 1 3.766 0.020 . 2 . . . A 17 GLY HA3 . 19367 1 175 . 1 1 17 17 GLY CA C 13 45.608 0.3 . 1 . . . A 17 GLY CA . 19367 1 176 . 1 1 17 17 GLY N N 15 107.001 0.3 . 1 . . . A 17 GLY N . 19367 1 177 . 1 1 18 18 ASP H H 1 8.255 0.020 . 1 . . . A 18 ASP H . 19367 1 178 . 1 1 18 18 ASP HA H 1 4.769 0.020 . 1 . . . A 18 ASP HA . 19367 1 179 . 1 1 18 18 ASP HB2 H 1 2.730 0.020 . 2 . . . A 18 ASP HB2 . 19367 1 180 . 1 1 18 18 ASP HB3 H 1 2.457 0.020 . 2 . . . A 18 ASP HB3 . 19367 1 181 . 1 1 18 18 ASP CA C 13 52.999 0.3 . 1 . . . A 18 ASP CA . 19367 1 182 . 1 1 18 18 ASP CB C 13 40.814 0.3 . 1 . . . A 18 ASP CB . 19367 1 183 . 1 1 18 18 ASP N N 15 121.666 0.3 . 1 . . . A 18 ASP N . 19367 1 184 . 1 1 19 19 GLN H H 1 8.392 0.020 . 1 . . . A 19 GLN H . 19367 1 185 . 1 1 19 19 GLN HA H 1 4.150 0.020 . 1 . . . A 19 GLN HA . 19367 1 186 . 1 1 19 19 GLN HB2 H 1 2.245 0.020 . 2 . . . A 19 GLN HB2 . 19367 1 187 . 1 1 19 19 GLN HB3 H 1 2.121 0.020 . 2 . . . A 19 GLN HB3 . 19367 1 188 . 1 1 19 19 GLN HG2 H 1 2.473 0.020 . 1 . . . A 19 GLN HG2 . 19367 1 189 . 1 1 19 19 GLN HG3 H 1 2.473 0.020 . 1 . . . A 19 GLN HG3 . 19367 1 190 . 1 1 19 19 GLN HE21 H 1 6.788 0.020 . 1 . . . A 19 GLN HE21 . 19367 1 191 . 1 1 19 19 GLN HE22 H 1 7.436 0.020 . 1 . . . A 19 GLN HE22 . 19367 1 192 . 1 1 19 19 GLN CA C 13 58.922 0.3 . 1 . . . A 19 GLN CA . 19367 1 193 . 1 1 19 19 GLN CB C 13 28.759 0.3 . 1 . . . A 19 GLN CB . 19367 1 194 . 1 1 19 19 GLN CG C 13 33.986 0.3 . 1 . . . A 19 GLN CG . 19367 1 195 . 1 1 19 19 GLN N N 15 124.874 0.3 . 1 . . . A 19 GLN N . 19367 1 196 . 1 1 19 19 GLN NE2 N 15 111.333 0.3 . 1 . . . A 19 GLN NE2 . 19367 1 197 . 1 1 20 20 LYS H H 1 8.348 0.020 . 1 . . . A 20 LYS H . 19367 1 198 . 1 1 20 20 LYS HA H 1 4.118 0.020 . 1 . . . A 20 LYS HA . 19367 1 199 . 1 1 20 20 LYS HB2 H 1 1.978 0.020 . 2 . . . A 20 LYS HB2 . 19367 1 200 . 1 1 20 20 LYS HB3 H 1 1.862 0.020 . 2 . . . A 20 LYS HB3 . 19367 1 201 . 1 1 20 20 LYS HG2 H 1 1.544 0.020 . 2 . . . A 20 LYS HG2 . 19367 1 202 . 1 1 20 20 LYS HG3 H 1 1.452 0.020 . 2 . . . A 20 LYS HG3 . 19367 1 203 . 1 1 20 20 LYS HD2 H 1 1.692 0.020 . 1 . . . A 20 LYS HD2 . 19367 1 204 . 1 1 20 20 LYS HD3 H 1 1.692 0.020 . 1 . . . A 20 LYS HD3 . 19367 1 205 . 1 1 20 20 LYS HE2 H 1 2.993 0.020 . 1 . . . A 20 LYS HE2 . 19367 1 206 . 1 1 20 20 LYS HE3 H 1 2.993 0.020 . 1 . . . A 20 LYS HE3 . 19367 1 207 . 1 1 20 20 LYS CA C 13 58.642 0.3 . 1 . . . A 20 LYS CA . 19367 1 208 . 1 1 20 20 LYS CB C 13 31.678 0.3 . 1 . . . A 20 LYS CB . 19367 1 209 . 1 1 20 20 LYS CG C 13 25.329 0.3 . 1 . . . A 20 LYS CG . 19367 1 210 . 1 1 20 20 LYS CD C 13 28.946 0.3 . 1 . . . A 20 LYS CD . 19367 1 211 . 1 1 20 20 LYS CE C 13 42.104 0.3 . 1 . . . A 20 LYS CE . 19367 1 212 . 1 1 20 20 LYS N N 15 119.006 0.3 . 1 . . . A 20 LYS N . 19367 1 213 . 1 1 21 21 ALA H H 1 7.500 0.020 . 1 . . . A 21 ALA H . 19367 1 214 . 1 1 21 21 ALA HA H 1 4.010 0.020 . 1 . . . A 21 ALA HA . 19367 1 215 . 1 1 21 21 ALA HB1 H 1 1.459 0.020 . 1 . . . A 21 ALA HB1 . 19367 1 216 . 1 1 21 21 ALA HB2 H 1 1.459 0.020 . 1 . . . A 21 ALA HB2 . 19367 1 217 . 1 1 21 21 ALA HB3 H 1 1.459 0.020 . 1 . . . A 21 ALA HB3 . 19367 1 218 . 1 1 21 21 ALA CA C 13 54.485 0.3 . 1 . . . A 21 ALA CA . 19367 1 219 . 1 1 21 21 ALA CB C 13 18.634 0.3 . 1 . . . A 21 ALA CB . 19367 1 220 . 1 1 21 21 ALA N N 15 121.687 0.3 . 1 . . . A 21 ALA N . 19367 1 221 . 1 1 22 22 PHE H H 1 7.810 0.020 . 1 . . . A 22 PHE H . 19367 1 222 . 1 1 22 22 PHE HA H 1 3.994 0.020 . 1 . . . A 22 PHE HA . 19367 1 223 . 1 1 22 22 PHE HB2 H 1 3.292 0.020 . 2 . . . A 22 PHE HB2 . 19367 1 224 . 1 1 22 22 PHE HB3 H 1 3.092 0.020 . 2 . . . A 22 PHE HB3 . 19367 1 225 . 1 1 22 22 PHE HD1 H 1 7.164 0.020 . 1 . . . A 22 PHE HD1 . 19367 1 226 . 1 1 22 22 PHE HD2 H 1 7.164 0.020 . 1 . . . A 22 PHE HD2 . 19367 1 227 . 1 1 22 22 PHE HE1 H 1 7.328 0.020 . 1 . . . A 22 PHE HE1 . 19367 1 228 . 1 1 22 22 PHE HE2 H 1 7.328 0.020 . 1 . . . A 22 PHE HE2 . 19367 1 229 . 1 1 22 22 PHE HZ H 1 7.734 0.020 . 1 . . . A 22 PHE HZ . 19367 1 230 . 1 1 22 22 PHE CA C 13 61.907 0.3 . 1 . . . A 22 PHE CA . 19367 1 231 . 1 1 22 22 PHE CB C 13 38.571 0.3 . 1 . . . A 22 PHE CB . 19367 1 232 . 1 1 22 22 PHE CD1 C 13 132.371 0.3 . 1 . . . A 22 PHE CD1 . 19367 1 233 . 1 1 22 22 PHE CE1 C 13 130.968 0.3 . 1 . . . A 22 PHE CE1 . 19367 1 234 . 1 1 22 22 PHE CZ C 13 129.826 0.3 . 1 . . . A 22 PHE CZ . 19367 1 235 . 1 1 22 22 PHE N N 15 117.219 0.3 . 1 . . . A 22 PHE N . 19367 1 236 . 1 1 23 23 ASN H H 1 7.711 0.020 . 1 . . . A 23 ASN H . 19367 1 237 . 1 1 23 23 ASN HA H 1 4.163 0.020 . 1 . . . A 23 ASN HA . 19367 1 238 . 1 1 23 23 ASN HB2 H 1 2.836 0.020 . 2 . . . A 23 ASN HB2 . 19367 1 239 . 1 1 23 23 ASN HB3 H 1 2.722 0.020 . 2 . . . A 23 ASN HB3 . 19367 1 240 . 1 1 23 23 ASN HD21 H 1 7.543 0.020 . 1 . . . A 23 ASN HD21 . 19367 1 241 . 1 1 23 23 ASN HD22 H 1 6.939 0.020 . 1 . . . A 23 ASN HD22 . 19367 1 242 . 1 1 23 23 ASN CA C 13 56.264 0.3 . 1 . . . A 23 ASN CA . 19367 1 243 . 1 1 23 23 ASN CB C 13 38.131 0.3 . 1 . . . A 23 ASN CB . 19367 1 244 . 1 1 23 23 ASN N N 15 115.600 0.3 . 1 . . . A 23 ASN N . 19367 1 245 . 1 1 23 23 ASN ND2 N 15 111.925 0.3 . 1 . . . A 23 ASN ND2 . 19367 1 246 . 1 1 24 24 LEU H H 1 7.344 0.020 . 1 . . . A 24 LEU H . 19367 1 247 . 1 1 24 24 LEU HA H 1 3.999 0.020 . 1 . . . A 24 LEU HA . 19367 1 248 . 1 1 24 24 LEU HB2 H 1 2.019 0.020 . 2 . . . A 24 LEU HB2 . 19367 1 249 . 1 1 24 24 LEU HB3 H 1 1.344 0.020 . 2 . . . A 24 LEU HB3 . 19367 1 250 . 1 1 24 24 LEU HG H 1 1.690 0.020 . 1 . . . A 24 LEU HG . 19367 1 251 . 1 1 24 24 LEU HD11 H 1 0.809 0.020 . 1 . . . A 24 LEU HD11 . 19367 1 252 . 1 1 24 24 LEU HD12 H 1 0.809 0.020 . 1 . . . A 24 LEU HD12 . 19367 1 253 . 1 1 24 24 LEU HD13 H 1 0.809 0.020 . 1 . . . A 24 LEU HD13 . 19367 1 254 . 1 1 24 24 LEU HD21 H 1 0.875 0.020 . 1 . . . A 24 LEU HD21 . 19367 1 255 . 1 1 24 24 LEU HD22 H 1 0.875 0.020 . 1 . . . A 24 LEU HD22 . 19367 1 256 . 1 1 24 24 LEU HD23 H 1 0.875 0.020 . 1 . . . A 24 LEU HD23 . 19367 1 257 . 1 1 24 24 LEU CA C 13 57.811 0.3 . 1 . . . A 24 LEU CA . 19367 1 258 . 1 1 24 24 LEU CB C 13 41.367 0.3 . 1 . . . A 24 LEU CB . 19367 1 259 . 1 1 24 24 LEU CG C 13 27.430 0.3 . 1 . . . A 24 LEU CG . 19367 1 260 . 1 1 24 24 LEU CD1 C 13 23.120 0.3 . 1 . . . A 24 LEU CD1 . 19367 1 261 . 1 1 24 24 LEU CD2 C 13 25.080 0.3 . 1 . . . A 24 LEU CD2 . 19367 1 262 . 1 1 24 24 LEU N N 15 117.605 0.3 . 1 . . . A 24 LEU N . 19367 1 263 . 1 1 25 25 LEU H H 1 7.036 0.020 . 1 . . . A 25 LEU H . 19367 1 264 . 1 1 25 25 LEU HA H 1 3.938 0.020 . 1 . . . A 25 LEU HA . 19367 1 265 . 1 1 25 25 LEU HB2 H 1 1.733 0.020 . 2 . . . A 25 LEU HB2 . 19367 1 266 . 1 1 25 25 LEU HB3 H 1 1.108 0.020 . 2 . . . A 25 LEU HB3 . 19367 1 267 . 1 1 25 25 LEU HG H 1 1.489 0.020 . 1 . . . A 25 LEU HG . 19367 1 268 . 1 1 25 25 LEU HD11 H 1 0.640 0.020 . 1 . . . A 25 LEU HD11 . 19367 1 269 . 1 1 25 25 LEU HD12 H 1 0.640 0.020 . 1 . . . A 25 LEU HD12 . 19367 1 270 . 1 1 25 25 LEU HD13 H 1 0.640 0.020 . 1 . . . A 25 LEU HD13 . 19367 1 271 . 1 1 25 25 LEU HD21 H 1 0.366 0.020 . 1 . . . A 25 LEU HD21 . 19367 1 272 . 1 1 25 25 LEU HD22 H 1 0.366 0.020 . 1 . . . A 25 LEU HD22 . 19367 1 273 . 1 1 25 25 LEU HD23 H 1 0.366 0.020 . 1 . . . A 25 LEU HD23 . 19367 1 274 . 1 1 25 25 LEU CA C 13 57.863 0.3 . 1 . . . A 25 LEU CA . 19367 1 275 . 1 1 25 25 LEU CB C 13 41.479 0.3 . 1 . . . A 25 LEU CB . 19367 1 276 . 1 1 25 25 LEU CG C 13 26.400 0.3 . 1 . . . A 25 LEU CG . 19367 1 277 . 1 1 25 25 LEU CD1 C 13 23.352 0.3 . 1 . . . A 25 LEU CD1 . 19367 1 278 . 1 1 25 25 LEU CD2 C 13 24.566 0.3 . 1 . . . A 25 LEU CD2 . 19367 1 279 . 1 1 25 25 LEU N N 15 120.426 0.3 . 1 . . . A 25 LEU N . 19367 1 280 . 1 1 26 26 VAL H H 1 7.369 0.020 . 1 . . . A 26 VAL H . 19367 1 281 . 1 1 26 26 VAL HA H 1 2.857 0.020 . 1 . . . A 26 VAL HA . 19367 1 282 . 1 1 26 26 VAL HB H 1 1.769 0.020 . 1 . . . A 26 VAL HB . 19367 1 283 . 1 1 26 26 VAL HG11 H 1 0.154 0.020 . 1 . . . A 26 VAL HG11 . 19367 1 284 . 1 1 26 26 VAL HG12 H 1 0.154 0.020 . 1 . . . A 26 VAL HG12 . 19367 1 285 . 1 1 26 26 VAL HG13 H 1 0.154 0.020 . 1 . . . A 26 VAL HG13 . 19367 1 286 . 1 1 26 26 VAL HG21 H 1 0.164 0.020 . 1 . . . A 26 VAL HG21 . 19367 1 287 . 1 1 26 26 VAL HG22 H 1 0.164 0.020 . 1 . . . A 26 VAL HG22 . 19367 1 288 . 1 1 26 26 VAL HG23 H 1 0.164 0.020 . 1 . . . A 26 VAL HG23 . 19367 1 289 . 1 1 26 26 VAL CA C 13 65.821 0.3 . 1 . . . A 26 VAL CA . 19367 1 290 . 1 1 26 26 VAL CB C 13 30.816 0.3 . 1 . . . A 26 VAL CB . 19367 1 291 . 1 1 26 26 VAL CG1 C 13 20.410 0.3 . 1 . . . A 26 VAL CG1 . 19367 1 292 . 1 1 26 26 VAL CG2 C 13 22.132 0.3 . 1 . . . A 26 VAL CG2 . 19367 1 293 . 1 1 26 26 VAL N N 15 119.676 0.3 . 1 . . . A 26 VAL N . 19367 1 294 . 1 1 27 27 VAL H H 1 7.816 0.020 . 1 . . . A 27 VAL H . 19367 1 295 . 1 1 27 27 VAL HA H 1 3.542 0.020 . 1 . . . A 27 VAL HA . 19367 1 296 . 1 1 27 27 VAL HB H 1 1.959 0.020 . 1 . . . A 27 VAL HB . 19367 1 297 . 1 1 27 27 VAL HG11 H 1 0.875 0.020 . 1 . . . A 27 VAL HG11 . 19367 1 298 . 1 1 27 27 VAL HG12 H 1 0.875 0.020 . 1 . . . A 27 VAL HG12 . 19367 1 299 . 1 1 27 27 VAL HG13 H 1 0.875 0.020 . 1 . . . A 27 VAL HG13 . 19367 1 300 . 1 1 27 27 VAL HG21 H 1 0.959 0.020 . 1 . . . A 27 VAL HG21 . 19367 1 301 . 1 1 27 27 VAL HG22 H 1 0.959 0.020 . 1 . . . A 27 VAL HG22 . 19367 1 302 . 1 1 27 27 VAL HG23 H 1 0.959 0.020 . 1 . . . A 27 VAL HG23 . 19367 1 303 . 1 1 27 27 VAL CA C 13 65.837 0.3 . 1 . . . A 27 VAL CA . 19367 1 304 . 1 1 27 27 VAL CB C 13 31.728 0.3 . 1 . . . A 27 VAL CB . 19367 1 305 . 1 1 27 27 VAL CG1 C 13 21.151 0.3 . 1 . . . A 27 VAL CG1 . 19367 1 306 . 1 1 27 27 VAL CG2 C 13 22.383 0.3 . 1 . . . A 27 VAL CG2 . 19367 1 307 . 1 1 27 27 VAL N N 15 117.098 0.3 . 1 . . . A 27 VAL N . 19367 1 308 . 1 1 28 28 ARG H H 1 7.491 0.020 . 1 . . . A 28 ARG H . 19367 1 309 . 1 1 28 28 ARG HA H 1 3.838 0.020 . 1 . . . A 28 ARG HA . 19367 1 310 . 1 1 28 28 ARG HB2 H 1 1.827 0.020 . 2 . . . A 28 ARG HB2 . 19367 1 311 . 1 1 28 28 ARG HB3 H 1 1.482 0.020 . 2 . . . A 28 ARG HB3 . 19367 1 312 . 1 1 28 28 ARG HG2 H 1 1.322 0.020 . 2 . . . A 28 ARG HG2 . 19367 1 313 . 1 1 28 28 ARG HG3 H 1 1.145 0.020 . 2 . . . A 28 ARG HG3 . 19367 1 314 . 1 1 28 28 ARG HD2 H 1 3.169 0.020 . 2 . . . A 28 ARG HD2 . 19367 1 315 . 1 1 28 28 ARG HD3 H 1 2.809 0.020 . 2 . . . A 28 ARG HD3 . 19367 1 316 . 1 1 28 28 ARG CA C 13 59.356 0.3 . 1 . . . A 28 ARG CA . 19367 1 317 . 1 1 28 28 ARG CB C 13 31.069 0.3 . 1 . . . A 28 ARG CB . 19367 1 318 . 1 1 28 28 ARG CG C 13 25.986 0.3 . 1 . . . A 28 ARG CG . 19367 1 319 . 1 1 28 28 ARG CD C 13 44.122 0.3 . 1 . . . A 28 ARG CD . 19367 1 320 . 1 1 28 28 ARG N N 15 118.592 0.3 . 1 . . . A 28 ARG N . 19367 1 321 . 1 1 29 29 TYR H H 1 7.675 0.020 . 1 . . . A 29 TYR H . 19367 1 322 . 1 1 29 29 TYR HA H 1 4.945 0.020 . 1 . . . A 29 TYR HA . 19367 1 323 . 1 1 29 29 TYR HB2 H 1 3.558 0.020 . 2 . . . A 29 TYR HB2 . 19367 1 324 . 1 1 29 29 TYR HB3 H 1 2.879 0.020 . 2 . . . A 29 TYR HB3 . 19367 1 325 . 1 1 29 29 TYR HD1 H 1 7.186 0.020 . 1 . . . A 29 TYR HD1 . 19367 1 326 . 1 1 29 29 TYR HD2 H 1 7.186 0.020 . 1 . . . A 29 TYR HD2 . 19367 1 327 . 1 1 29 29 TYR HE1 H 1 6.807 0.020 . 1 . . . A 29 TYR HE1 . 19367 1 328 . 1 1 29 29 TYR HE2 H 1 6.807 0.020 . 1 . . . A 29 TYR HE2 . 19367 1 329 . 1 1 29 29 TYR CA C 13 60.438 0.3 . 1 . . . A 29 TYR CA . 19367 1 330 . 1 1 29 29 TYR CB C 13 40.619 0.3 . 1 . . . A 29 TYR CB . 19367 1 331 . 1 1 29 29 TYR CD1 C 13 132.841 0.3 . 1 . . . A 29 TYR CD1 . 19367 1 332 . 1 1 29 29 TYR CE1 C 13 118.165 0.3 . 1 . . . A 29 TYR CE1 . 19367 1 333 . 1 1 29 29 TYR N N 15 112.635 0.3 . 1 . . . A 29 TYR N . 19367 1 334 . 1 1 30 30 GLN H H 1 9.056 0.020 . 1 . . . A 30 GLN H . 19367 1 335 . 1 1 30 30 GLN HA H 1 4.119 0.020 . 1 . . . A 30 GLN HA . 19367 1 336 . 1 1 30 30 GLN HB2 H 1 2.197 0.020 . 2 . . . A 30 GLN HB2 . 19367 1 337 . 1 1 30 30 GLN HB3 H 1 2.044 0.020 . 2 . . . A 30 GLN HB3 . 19367 1 338 . 1 1 30 30 GLN HG2 H 1 2.333 0.020 . 1 . . . A 30 GLN HG2 . 19367 1 339 . 1 1 30 30 GLN HG3 H 1 2.333 0.020 . 1 . . . A 30 GLN HG3 . 19367 1 340 . 1 1 30 30 GLN HE21 H 1 7.200 0.020 . 1 . . . A 30 GLN HE21 . 19367 1 341 . 1 1 30 30 GLN HE22 H 1 6.640 0.020 . 1 . . . A 30 GLN HE22 . 19367 1 342 . 1 1 30 30 GLN CA C 13 61.409 0.3 . 1 . . . A 30 GLN CA . 19367 1 343 . 1 1 30 30 GLN CB C 13 26.933 0.3 . 1 . . . A 30 GLN CB . 19367 1 344 . 1 1 30 30 GLN CG C 13 32.488 0.3 . 1 . . . A 30 GLN CG . 19367 1 345 . 1 1 30 30 GLN N N 15 123.043 0.3 . 1 . . . A 30 GLN N . 19367 1 346 . 1 1 30 30 GLN NE2 N 15 109.627 0.3 . 1 . . . A 30 GLN NE2 . 19367 1 347 . 1 1 31 31 HIS H H 1 8.616 0.020 . 1 . . . A 31 HIS H . 19367 1 348 . 1 1 31 31 HIS HA H 1 4.435 0.020 . 1 . . . A 31 HIS HA . 19367 1 349 . 1 1 31 31 HIS HB2 H 1 3.124 0.020 . 1 . . . A 31 HIS HB2 . 19367 1 350 . 1 1 31 31 HIS HB3 H 1 3.124 0.020 . 1 . . . A 31 HIS HB3 . 19367 1 351 . 1 1 31 31 HIS CA C 13 59.580 0.3 . 1 . . . A 31 HIS CA . 19367 1 352 . 1 1 31 31 HIS CB C 13 29.396 0.3 . 1 . . . A 31 HIS CB . 19367 1 353 . 1 1 31 31 HIS N N 15 118.704 0.3 . 1 . . . A 31 HIS N . 19367 1 354 . 1 1 32 32 LYS H H 1 7.848 0.020 . 1 . . . A 32 LYS H . 19367 1 355 . 1 1 32 32 LYS HA H 1 4.029 0.020 . 1 . . . A 32 LYS HA . 19367 1 356 . 1 1 32 32 LYS HB2 H 1 2.226 0.020 . 2 . . . A 32 LYS HB2 . 19367 1 357 . 1 1 32 32 LYS HB3 H 1 1.985 0.020 . 2 . . . A 32 LYS HB3 . 19367 1 358 . 1 1 32 32 LYS HG2 H 1 1.557 0.020 . 2 . . . A 32 LYS HG2 . 19367 1 359 . 1 1 32 32 LYS HG3 H 1 1.488 0.020 . 2 . . . A 32 LYS HG3 . 19367 1 360 . 1 1 32 32 LYS HD2 H 1 1.556 0.020 . 2 . . . A 32 LYS HD2 . 19367 1 361 . 1 1 32 32 LYS HD3 H 1 1.486 0.020 . 2 . . . A 32 LYS HD3 . 19367 1 362 . 1 1 32 32 LYS HE2 H 1 2.903 0.020 . 1 . . . A 32 LYS HE2 . 19367 1 363 . 1 1 32 32 LYS HE3 H 1 2.903 0.020 . 1 . . . A 32 LYS HE3 . 19367 1 364 . 1 1 32 32 LYS CA C 13 59.869 0.3 . 1 . . . A 32 LYS CA . 19367 1 365 . 1 1 32 32 LYS CB C 13 32.580 0.3 . 1 . . . A 32 LYS CB . 19367 1 366 . 1 1 32 32 LYS CG C 13 26.127 0.3 . 1 . . . A 32 LYS CG . 19367 1 367 . 1 1 32 32 LYS CD C 13 29.727 0.3 . 1 . . . A 32 LYS CD . 19367 1 368 . 1 1 32 32 LYS CE C 13 41.947 0.3 . 1 . . . A 32 LYS CE . 19367 1 369 . 1 1 32 32 LYS N N 15 122.594 0.3 . 1 . . . A 32 LYS N . 19367 1 370 . 1 1 33 33 VAL H H 1 8.653 0.020 . 1 . . . A 33 VAL H . 19367 1 371 . 1 1 33 33 VAL HA H 1 3.480 0.020 . 1 . . . A 33 VAL HA . 19367 1 372 . 1 1 33 33 VAL HB H 1 2.090 0.020 . 1 . . . A 33 VAL HB . 19367 1 373 . 1 1 33 33 VAL HG11 H 1 0.860 0.020 . 1 . . . A 33 VAL HG11 . 19367 1 374 . 1 1 33 33 VAL HG12 H 1 0.860 0.020 . 1 . . . A 33 VAL HG12 . 19367 1 375 . 1 1 33 33 VAL HG13 H 1 0.860 0.020 . 1 . . . A 33 VAL HG13 . 19367 1 376 . 1 1 33 33 VAL HG21 H 1 0.593 0.020 . 1 . . . A 33 VAL HG21 . 19367 1 377 . 1 1 33 33 VAL HG22 H 1 0.593 0.020 . 1 . . . A 33 VAL HG22 . 19367 1 378 . 1 1 33 33 VAL HG23 H 1 0.593 0.020 . 1 . . . A 33 VAL HG23 . 19367 1 379 . 1 1 33 33 VAL CA C 13 66.671 0.3 . 1 . . . A 33 VAL CA . 19367 1 380 . 1 1 33 33 VAL CB C 13 31.142 0.3 . 1 . . . A 33 VAL CB . 19367 1 381 . 1 1 33 33 VAL CG1 C 13 24.056 0.3 . 1 . . . A 33 VAL CG1 . 19367 1 382 . 1 1 33 33 VAL CG2 C 13 22.323 0.3 . 1 . . . A 33 VAL CG2 . 19367 1 383 . 1 1 33 33 VAL N N 15 119.621 0.3 . 1 . . . A 33 VAL N . 19367 1 384 . 1 1 34 34 ALA H H 1 8.498 0.020 . 1 . . . A 34 ALA H . 19367 1 385 . 1 1 34 34 ALA HA H 1 3.736 0.020 . 1 . . . A 34 ALA HA . 19367 1 386 . 1 1 34 34 ALA HB1 H 1 1.421 0.020 . 1 . . . A 34 ALA HB1 . 19367 1 387 . 1 1 34 34 ALA HB2 H 1 1.421 0.020 . 1 . . . A 34 ALA HB2 . 19367 1 388 . 1 1 34 34 ALA HB3 H 1 1.421 0.020 . 1 . . . A 34 ALA HB3 . 19367 1 389 . 1 1 34 34 ALA CA C 13 55.762 0.3 . 1 . . . A 34 ALA CA . 19367 1 390 . 1 1 34 34 ALA CB C 13 17.681 0.3 . 1 . . . A 34 ALA CB . 19367 1 391 . 1 1 34 34 ALA N N 15 122.622 0.3 . 1 . . . A 34 ALA N . 19367 1 392 . 1 1 35 35 SER H H 1 7.897 0.020 . 1 . . . A 35 SER H . 19367 1 393 . 1 1 35 35 SER HA H 1 4.040 0.020 . 1 . . . A 35 SER HA . 19367 1 394 . 1 1 35 35 SER HB2 H 1 3.862 0.020 . 2 . . . A 35 SER HB2 . 19367 1 395 . 1 1 35 35 SER HB3 H 1 3.912 0.020 . 2 . . . A 35 SER HB3 . 19367 1 396 . 1 1 35 35 SER CA C 13 61.765 0.3 . 1 . . . A 35 SER CA . 19367 1 397 . 1 1 35 35 SER CB C 13 62.766 0.3 . 1 . . . A 35 SER CB . 19367 1 398 . 1 1 35 35 SER N N 15 113.674 0.3 . 1 . . . A 35 SER N . 19367 1 399 . 1 1 36 36 LEU H H 1 7.494 0.020 . 1 . . . A 36 LEU H . 19367 1 400 . 1 1 36 36 LEU HA H 1 3.992 0.020 . 1 . . . A 36 LEU HA . 19367 1 401 . 1 1 36 36 LEU HB2 H 1 1.685 0.020 . 2 . . . A 36 LEU HB2 . 19367 1 402 . 1 1 36 36 LEU HB3 H 1 1.408 0.020 . 2 . . . A 36 LEU HB3 . 19367 1 403 . 1 1 36 36 LEU HG H 1 1.055 0.020 . 1 . . . A 36 LEU HG . 19367 1 404 . 1 1 36 36 LEU HD11 H 1 0.328 0.020 . 1 . . . A 36 LEU HD11 . 19367 1 405 . 1 1 36 36 LEU HD12 H 1 0.328 0.020 . 1 . . . A 36 LEU HD12 . 19367 1 406 . 1 1 36 36 LEU HD13 H 1 0.328 0.020 . 1 . . . A 36 LEU HD13 . 19367 1 407 . 1 1 36 36 LEU HD21 H 1 0.009 0.020 . 1 . . . A 36 LEU HD21 . 19367 1 408 . 1 1 36 36 LEU HD22 H 1 0.009 0.020 . 1 . . . A 36 LEU HD22 . 19367 1 409 . 1 1 36 36 LEU HD23 H 1 0.009 0.020 . 1 . . . A 36 LEU HD23 . 19367 1 410 . 1 1 36 36 LEU CA C 13 57.863 0.3 . 1 . . . A 36 LEU CA . 19367 1 411 . 1 1 36 36 LEU CB C 13 42.718 0.3 . 1 . . . A 36 LEU CB . 19367 1 412 . 1 1 36 36 LEU CG C 13 26.535 0.3 . 1 . . . A 36 LEU CG . 19367 1 413 . 1 1 36 36 LEU CD1 C 13 23.483 0.3 . 1 . . . A 36 LEU CD1 . 19367 1 414 . 1 1 36 36 LEU CD2 C 13 25.126 0.3 . 1 . . . A 36 LEU CD2 . 19367 1 415 . 1 1 36 36 LEU N N 15 123.203 0.3 . 1 . . . A 36 LEU N . 19367 1 416 . 1 1 37 37 VAL H H 1 8.530 0.020 . 1 . . . A 37 VAL H . 19367 1 417 . 1 1 37 37 VAL HA H 1 3.627 0.020 . 1 . . . A 37 VAL HA . 19367 1 418 . 1 1 37 37 VAL HB H 1 2.080 0.020 . 1 . . . A 37 VAL HB . 19367 1 419 . 1 1 37 37 VAL HG11 H 1 0.839 0.020 . 1 . . . A 37 VAL HG11 . 19367 1 420 . 1 1 37 37 VAL HG12 H 1 0.839 0.020 . 1 . . . A 37 VAL HG12 . 19367 1 421 . 1 1 37 37 VAL HG13 H 1 0.839 0.020 . 1 . . . A 37 VAL HG13 . 19367 1 422 . 1 1 37 37 VAL HG21 H 1 0.795 0.020 . 1 . . . A 37 VAL HG21 . 19367 1 423 . 1 1 37 37 VAL HG22 H 1 0.795 0.020 . 1 . . . A 37 VAL HG22 . 19367 1 424 . 1 1 37 37 VAL HG23 H 1 0.795 0.020 . 1 . . . A 37 VAL HG23 . 19367 1 425 . 1 1 37 37 VAL CA C 13 65.879 0.3 . 1 . . . A 37 VAL CA . 19367 1 426 . 1 1 37 37 VAL CB C 13 31.214 0.3 . 1 . . . A 37 VAL CB . 19367 1 427 . 1 1 37 37 VAL CG1 C 13 22.238 0.3 . 1 . . . A 37 VAL CG1 . 19367 1 428 . 1 1 37 37 VAL CG2 C 13 22.574 0.3 . 1 . . . A 37 VAL CG2 . 19367 1 429 . 1 1 37 37 VAL N N 15 114.122 0.3 . 1 . . . A 37 VAL N . 19367 1 430 . 1 1 38 38 SER H H 1 8.136 0.020 . 1 . . . A 38 SER H . 19367 1 431 . 1 1 38 38 SER HA H 1 4.276 0.020 . 1 . . . A 38 SER HA . 19367 1 432 . 1 1 38 38 SER HB2 H 1 3.998 0.020 . 2 . . . A 38 SER HB2 . 19367 1 433 . 1 1 38 38 SER HB3 H 1 4.057 0.020 . 2 . . . A 38 SER HB3 . 19367 1 434 . 1 1 38 38 SER CA C 13 60.898 0.3 . 1 . . . A 38 SER CA . 19367 1 435 . 1 1 38 38 SER CB C 13 63.143 0.3 . 1 . . . A 38 SER CB . 19367 1 436 . 1 1 38 38 SER N N 15 116.259 0.3 . 1 . . . A 38 SER N . 19367 1 437 . 1 1 39 39 ARG H H 1 7.310 0.020 . 1 . . . A 39 ARG H . 19367 1 438 . 1 1 39 39 ARG HA H 1 3.995 0.020 . 1 . . . A 39 ARG HA . 19367 1 439 . 1 1 39 39 ARG HB2 H 1 1.471 0.020 . 2 . . . A 39 ARG HB2 . 19367 1 440 . 1 1 39 39 ARG HB3 H 1 1.349 0.020 . 2 . . . A 39 ARG HB3 . 19367 1 441 . 1 1 39 39 ARG HG2 H 1 1.598 0.020 . 2 . . . A 39 ARG HG2 . 19367 1 442 . 1 1 39 39 ARG HG3 H 1 1.365 0.020 . 2 . . . A 39 ARG HG3 . 19367 1 443 . 1 1 39 39 ARG HD2 H 1 2.975 0.020 . 1 . . . A 39 ARG HD2 . 19367 1 444 . 1 1 39 39 ARG HD3 H 1 2.975 0.020 . 1 . . . A 39 ARG HD3 . 19367 1 445 . 1 1 39 39 ARG CA C 13 57.640 0.3 . 1 . . . A 39 ARG CA . 19367 1 446 . 1 1 39 39 ARG CB C 13 29.719 0.3 . 1 . . . A 39 ARG CB . 19367 1 447 . 1 1 39 39 ARG CG C 13 26.976 0.3 . 1 . . . A 39 ARG CG . 19367 1 448 . 1 1 39 39 ARG CD C 13 43.622 0.3 . 1 . . . A 39 ARG CD . 19367 1 449 . 1 1 39 39 ARG N N 15 119.029 0.3 . 1 . . . A 39 ARG N . 19367 1 450 . 1 1 40 40 TYR H H 1 7.786 0.020 . 1 . . . A 40 TYR H . 19367 1 451 . 1 1 40 40 TYR HA H 1 4.472 0.020 . 1 . . . A 40 TYR HA . 19367 1 452 . 1 1 40 40 TYR HB2 H 1 3.032 0.020 . 2 . . . A 40 TYR HB2 . 19367 1 453 . 1 1 40 40 TYR HB3 H 1 2.676 0.020 . 2 . . . A 40 TYR HB3 . 19367 1 454 . 1 1 40 40 TYR HD1 H 1 7.037 0.020 . 1 . . . A 40 TYR HD1 . 19367 1 455 . 1 1 40 40 TYR HD2 H 1 7.037 0.020 . 1 . . . A 40 TYR HD2 . 19367 1 456 . 1 1 40 40 TYR HE1 H 1 6.563 0.020 . 1 . . . A 40 TYR HE1 . 19367 1 457 . 1 1 40 40 TYR HE2 H 1 6.563 0.020 . 1 . . . A 40 TYR HE2 . 19367 1 458 . 1 1 40 40 TYR CA C 13 59.298 0.3 . 1 . . . A 40 TYR CA . 19367 1 459 . 1 1 40 40 TYR CB C 13 42.809 0.3 . 1 . . . A 40 TYR CB . 19367 1 460 . 1 1 40 40 TYR CD1 C 13 133.203 0.3 . 1 . . . A 40 TYR CD1 . 19367 1 461 . 1 1 40 40 TYR CE1 C 13 118.021 0.3 . 1 . . . A 40 TYR CE1 . 19367 1 462 . 1 1 40 40 TYR N N 15 114.123 0.3 . 1 . . . A 40 TYR N . 19367 1 463 . 1 1 41 41 VAL H H 1 7.388 0.020 . 1 . . . A 41 VAL H . 19367 1 464 . 1 1 41 41 VAL HA H 1 4.853 0.020 . 1 . . . A 41 VAL HA . 19367 1 465 . 1 1 41 41 VAL HB H 1 2.053 0.020 . 1 . . . A 41 VAL HB . 19367 1 466 . 1 1 41 41 VAL HG11 H 1 0.808 0.020 . 1 . . . A 41 VAL HG11 . 19367 1 467 . 1 1 41 41 VAL HG12 H 1 0.808 0.020 . 1 . . . A 41 VAL HG12 . 19367 1 468 . 1 1 41 41 VAL HG13 H 1 0.808 0.020 . 1 . . . A 41 VAL HG13 . 19367 1 469 . 1 1 41 41 VAL HG21 H 1 0.633 0.020 . 1 . . . A 41 VAL HG21 . 19367 1 470 . 1 1 41 41 VAL HG22 H 1 0.633 0.020 . 1 . . . A 41 VAL HG22 . 19367 1 471 . 1 1 41 41 VAL HG23 H 1 0.633 0.020 . 1 . . . A 41 VAL HG23 . 19367 1 472 . 1 1 41 41 VAL CA C 13 57.942 0.3 . 1 . . . A 41 VAL CA . 19367 1 473 . 1 1 41 41 VAL CB C 13 33.171 0.3 . 1 . . . A 41 VAL CB . 19367 1 474 . 1 1 41 41 VAL CG1 C 13 21.759 0.3 . 1 . . . A 41 VAL CG1 . 19367 1 475 . 1 1 41 41 VAL CG2 C 13 19.720 0.3 . 1 . . . A 41 VAL CG2 . 19367 1 476 . 1 1 41 41 VAL N N 15 112.721 0.3 . 1 . . . A 41 VAL N . 19367 1 477 . 1 1 42 42 PRO HA H 1 4.415 0.020 . 1 . . . A 42 PRO HA . 19367 1 478 . 1 1 42 42 PRO HB2 H 1 2.396 0.020 . 2 . . . A 42 PRO HB2 . 19367 1 479 . 1 1 42 42 PRO HB3 H 1 1.981 0.020 . 2 . . . A 42 PRO HB3 . 19367 1 480 . 1 1 42 42 PRO HG2 H 1 2.124 0.020 . 1 . . . A 42 PRO HG2 . 19367 1 481 . 1 1 42 42 PRO HG3 H 1 2.124 0.020 . 1 . . . A 42 PRO HG3 . 19367 1 482 . 1 1 42 42 PRO HD2 H 1 3.825 0.020 . 2 . . . A 42 PRO HD2 . 19367 1 483 . 1 1 42 42 PRO HD3 H 1 3.629 0.020 . 2 . . . A 42 PRO HD3 . 19367 1 484 . 1 1 42 42 PRO CA C 13 62.645 0.3 . 1 . . . A 42 PRO CA . 19367 1 485 . 1 1 42 42 PRO CB C 13 32.603 0.3 . 1 . . . A 42 PRO CB . 19367 1 486 . 1 1 42 42 PRO CG C 13 28.043 0.3 . 1 . . . A 42 PRO CG . 19367 1 487 . 1 1 42 42 PRO CD C 13 51.013 0.3 . 1 . . . A 42 PRO CD . 19367 1 488 . 1 1 43 43 SER H H 1 8.602 0.020 . 1 . . . A 43 SER H . 19367 1 489 . 1 1 43 43 SER HA H 1 4.009 0.020 . 1 . . . A 43 SER HA . 19367 1 490 . 1 1 43 43 SER HB2 H 1 3.905 0.020 . 2 . . . A 43 SER HB2 . 19367 1 491 . 1 1 43 43 SER HB3 H 1 3.866 0.020 . 2 . . . A 43 SER HB3 . 19367 1 492 . 1 1 43 43 SER CA C 13 62.098 0.3 . 1 . . . A 43 SER CA . 19367 1 493 . 1 1 43 43 SER CB C 13 62.862 0.3 . 1 . . . A 43 SER CB . 19367 1 494 . 1 1 43 43 SER N N 15 116.784 0.3 . 1 . . . A 43 SER N . 19367 1 495 . 1 1 44 44 GLY H H 1 8.812 0.020 . 1 . . . A 44 GLY H . 19367 1 496 . 1 1 44 44 GLY HA2 H 1 3.868 0.020 . 2 . . . A 44 GLY HA2 . 19367 1 497 . 1 1 44 44 GLY HA3 H 1 3.832 0.020 . 2 . . . A 44 GLY HA3 . 19367 1 498 . 1 1 44 44 GLY CA C 13 46.503 0.3 . 1 . . . A 44 GLY CA . 19367 1 499 . 1 1 44 44 GLY N N 15 107.756 0.3 . 1 . . . A 44 GLY N . 19367 1 500 . 1 1 45 45 ASP H H 1 7.764 0.020 . 1 . . . A 45 ASP H . 19367 1 501 . 1 1 45 45 ASP HA H 1 4.875 0.020 . 1 . . . A 45 ASP HA . 19367 1 502 . 1 1 45 45 ASP HB2 H 1 2.662 0.020 . 2 . . . A 45 ASP HB2 . 19367 1 503 . 1 1 45 45 ASP HB3 H 1 2.348 0.020 . 2 . . . A 45 ASP HB3 . 19367 1 504 . 1 1 45 45 ASP CA C 13 54.770 0.3 . 1 . . . A 45 ASP CA . 19367 1 505 . 1 1 45 45 ASP CB C 13 42.593 0.3 . 1 . . . A 45 ASP CB . 19367 1 506 . 1 1 45 45 ASP N N 15 117.822 0.3 . 1 . . . A 45 ASP N . 19367 1 507 . 1 1 46 46 VAL H H 1 7.148 0.020 . 1 . . . A 46 VAL H . 19367 1 508 . 1 1 46 46 VAL HA H 1 3.233 0.020 . 1 . . . A 46 VAL HA . 19367 1 509 . 1 1 46 46 VAL HB H 1 2.308 0.020 . 1 . . . A 46 VAL HB . 19367 1 510 . 1 1 46 46 VAL HG11 H 1 0.808 0.020 . 1 . . . A 46 VAL HG11 . 19367 1 511 . 1 1 46 46 VAL HG12 H 1 0.808 0.020 . 1 . . . A 46 VAL HG12 . 19367 1 512 . 1 1 46 46 VAL HG13 H 1 0.808 0.020 . 1 . . . A 46 VAL HG13 . 19367 1 513 . 1 1 46 46 VAL HG21 H 1 0.644 0.020 . 1 . . . A 46 VAL HG21 . 19367 1 514 . 1 1 46 46 VAL HG22 H 1 0.644 0.020 . 1 . . . A 46 VAL HG22 . 19367 1 515 . 1 1 46 46 VAL HG23 H 1 0.644 0.020 . 1 . . . A 46 VAL HG23 . 19367 1 516 . 1 1 46 46 VAL CA C 13 68.546 0.3 . 1 . . . A 46 VAL CA . 19367 1 517 . 1 1 46 46 VAL CB C 13 29.851 0.3 . 1 . . . A 46 VAL CB . 19367 1 518 . 1 1 46 46 VAL CG1 C 13 21.392 0.3 . 1 . . . A 46 VAL CG1 . 19367 1 519 . 1 1 46 46 VAL CG2 C 13 19.696 0.3 . 1 . . . A 46 VAL CG2 . 19367 1 520 . 1 1 46 46 VAL N N 15 119.385 0.3 . 1 . . . A 46 VAL N . 19367 1 521 . 1 1 47 47 PRO HA H 1 4.113 0.020 . 1 . . . A 47 PRO HA . 19367 1 522 . 1 1 47 47 PRO HB2 H 1 1.883 0.020 . 2 . . . A 47 PRO HB2 . 19367 1 523 . 1 1 47 47 PRO HB3 H 1 2.101 0.020 . 2 . . . A 47 PRO HB3 . 19367 1 524 . 1 1 47 47 PRO HG2 H 1 2.263 0.020 . 2 . . . A 47 PRO HG2 . 19367 1 525 . 1 1 47 47 PRO HG3 H 1 1.852 0.020 . 2 . . . A 47 PRO HG3 . 19367 1 526 . 1 1 47 47 PRO HD2 H 1 3.686 0.020 . 2 . . . A 47 PRO HD2 . 19367 1 527 . 1 1 47 47 PRO HD3 H 1 3.532 0.020 . 2 . . . A 47 PRO HD3 . 19367 1 528 . 1 1 47 47 PRO CA C 13 66.527 0.3 . 1 . . . A 47 PRO CA . 19367 1 529 . 1 1 47 47 PRO CB C 13 28.496 0.3 . 1 . . . A 47 PRO CB . 19367 1 530 . 1 1 47 47 PRO CG C 13 30.781 0.3 . 1 . . . A 47 PRO CG . 19367 1 531 . 1 1 47 47 PRO CD C 13 49.382 0.3 . 1 . . . A 47 PRO CD . 19367 1 532 . 1 1 48 48 ASP H H 1 7.473 0.020 . 1 . . . A 48 ASP H . 19367 1 533 . 1 1 48 48 ASP HA H 1 4.384 0.020 . 1 . . . A 48 ASP HA . 19367 1 534 . 1 1 48 48 ASP HB2 H 1 2.683 0.020 . 2 . . . A 48 ASP HB2 . 19367 1 535 . 1 1 48 48 ASP HB3 H 1 2.664 0.020 . 2 . . . A 48 ASP HB3 . 19367 1 536 . 1 1 48 48 ASP CA C 13 57.268 0.3 . 1 . . . A 48 ASP CA . 19367 1 537 . 1 1 48 48 ASP CB C 13 40.657 0.3 . 1 . . . A 48 ASP CB . 19367 1 538 . 1 1 48 48 ASP N N 15 116.654 0.3 . 1 . . . A 48 ASP N . 19367 1 539 . 1 1 49 49 VAL H H 1 7.600 0.020 . 1 . . . A 49 VAL H . 19367 1 540 . 1 1 49 49 VAL HA H 1 3.364 0.020 . 1 . . . A 49 VAL HA . 19367 1 541 . 1 1 49 49 VAL HB H 1 1.758 0.020 . 1 . . . A 49 VAL HB . 19367 1 542 . 1 1 49 49 VAL HG11 H 1 0.598 0.020 . 1 . . . A 49 VAL HG11 . 19367 1 543 . 1 1 49 49 VAL HG12 H 1 0.598 0.020 . 1 . . . A 49 VAL HG12 . 19367 1 544 . 1 1 49 49 VAL HG13 H 1 0.598 0.020 . 1 . . . A 49 VAL HG13 . 19367 1 545 . 1 1 49 49 VAL HG21 H 1 0.297 0.020 . 1 . . . A 49 VAL HG21 . 19367 1 546 . 1 1 49 49 VAL HG22 H 1 0.297 0.020 . 1 . . . A 49 VAL HG22 . 19367 1 547 . 1 1 49 49 VAL HG23 H 1 0.297 0.020 . 1 . . . A 49 VAL HG23 . 19367 1 548 . 1 1 49 49 VAL CA C 13 66.354 0.3 . 1 . . . A 49 VAL CA . 19367 1 549 . 1 1 49 49 VAL CB C 13 30.961 0.3 . 1 . . . A 49 VAL CB . 19367 1 550 . 1 1 49 49 VAL CG1 C 13 22.263 0.3 . 1 . . . A 49 VAL CG1 . 19367 1 551 . 1 1 49 49 VAL CG2 C 13 22.765 0.3 . 1 . . . A 49 VAL CG2 . 19367 1 552 . 1 1 49 49 VAL N N 15 121.848 0.3 . 1 . . . A 49 VAL N . 19367 1 553 . 1 1 50 50 VAL H H 1 8.567 0.020 . 1 . . . A 50 VAL H . 19367 1 554 . 1 1 50 50 VAL HA H 1 3.176 0.020 . 1 . . . A 50 VAL HA . 19367 1 555 . 1 1 50 50 VAL HB H 1 2.169 0.020 . 1 . . . A 50 VAL HB . 19367 1 556 . 1 1 50 50 VAL HG11 H 1 1.096 0.020 . 1 . . . A 50 VAL HG11 . 19367 1 557 . 1 1 50 50 VAL HG12 H 1 1.096 0.020 . 1 . . . A 50 VAL HG12 . 19367 1 558 . 1 1 50 50 VAL HG13 H 1 1.096 0.020 . 1 . . . A 50 VAL HG13 . 19367 1 559 . 1 1 50 50 VAL HG21 H 1 0.895 0.020 . 1 . . . A 50 VAL HG21 . 19367 1 560 . 1 1 50 50 VAL HG22 H 1 0.895 0.020 . 1 . . . A 50 VAL HG22 . 19367 1 561 . 1 1 50 50 VAL HG23 H 1 0.895 0.020 . 1 . . . A 50 VAL HG23 . 19367 1 562 . 1 1 50 50 VAL CA C 13 67.270 0.3 . 1 . . . A 50 VAL CA . 19367 1 563 . 1 1 50 50 VAL CB C 13 31.662 0.3 . 1 . . . A 50 VAL CB . 19367 1 564 . 1 1 50 50 VAL CG1 C 13 21.691 0.3 . 1 . . . A 50 VAL CG1 . 19367 1 565 . 1 1 50 50 VAL CG2 C 13 24.185 0.3 . 1 . . . A 50 VAL CG2 . 19367 1 566 . 1 1 50 50 VAL N N 15 119.961 0.3 . 1 . . . A 50 VAL N . 19367 1 567 . 1 1 51 51 GLN H H 1 7.802 0.020 . 1 . . . A 51 GLN H . 19367 1 568 . 1 1 51 51 GLN HA H 1 4.204 0.020 . 1 . . . A 51 GLN HA . 19367 1 569 . 1 1 51 51 GLN HB2 H 1 2.230 0.020 . 1 . . . A 51 GLN HB2 . 19367 1 570 . 1 1 51 51 GLN HB3 H 1 2.230 0.020 . 1 . . . A 51 GLN HB3 . 19367 1 571 . 1 1 51 51 GLN HG2 H 1 2.471 0.020 . 1 . . . A 51 GLN HG2 . 19367 1 572 . 1 1 51 51 GLN HG3 H 1 2.471 0.020 . 1 . . . A 51 GLN HG3 . 19367 1 573 . 1 1 51 51 GLN HE21 H 1 7.349 0.020 . 1 . . . A 51 GLN HE21 . 19367 1 574 . 1 1 51 51 GLN HE22 H 1 6.779 0.020 . 1 . . . A 51 GLN HE22 . 19367 1 575 . 1 1 51 51 GLN CA C 13 59.334 0.3 . 1 . . . A 51 GLN CA . 19367 1 576 . 1 1 51 51 GLN CB C 13 28.717 0.3 . 1 . . . A 51 GLN CB . 19367 1 577 . 1 1 51 51 GLN CG C 13 33.921 0.3 . 1 . . . A 51 GLN CG . 19367 1 578 . 1 1 51 51 GLN N N 15 116.203 0.3 . 1 . . . A 51 GLN N . 19367 1 579 . 1 1 51 51 GLN NE2 N 15 111.463 0.3 . 1 . . . A 51 GLN NE2 . 19367 1 580 . 1 1 52 52 GLU H H 1 7.880 0.020 . 1 . . . A 52 GLU H . 19367 1 581 . 1 1 52 52 GLU HA H 1 4.085 0.020 . 1 . . . A 52 GLU HA . 19367 1 582 . 1 1 52 52 GLU HB2 H 1 2.130 0.020 . 2 . . . A 52 GLU HB2 . 19367 1 583 . 1 1 52 52 GLU HB3 H 1 1.996 0.020 . 2 . . . A 52 GLU HB3 . 19367 1 584 . 1 1 52 52 GLU HG2 H 1 2.296 0.020 . 2 . . . A 52 GLU HG2 . 19367 1 585 . 1 1 52 52 GLU HG3 H 1 2.184 0.020 . 2 . . . A 52 GLU HG3 . 19367 1 586 . 1 1 52 52 GLU CA C 13 59.267 0.3 . 1 . . . A 52 GLU CA . 19367 1 587 . 1 1 52 52 GLU CB C 13 29.178 0.3 . 1 . . . A 52 GLU CB . 19367 1 588 . 1 1 52 52 GLU CG C 13 35.922 0.3 . 1 . . . A 52 GLU CG . 19367 1 589 . 1 1 52 52 GLU N N 15 119.616 0.3 . 1 . . . A 52 GLU N . 19367 1 590 . 1 1 53 53 ALA H H 1 8.381 0.020 . 1 . . . A 53 ALA H . 19367 1 591 . 1 1 53 53 ALA HA H 1 3.713 0.020 . 1 . . . A 53 ALA HA . 19367 1 592 . 1 1 53 53 ALA HB1 H 1 0.969 0.020 . 1 . . . A 53 ALA HB1 . 19367 1 593 . 1 1 53 53 ALA HB2 H 1 0.969 0.020 . 1 . . . A 53 ALA HB2 . 19367 1 594 . 1 1 53 53 ALA HB3 H 1 0.969 0.020 . 1 . . . A 53 ALA HB3 . 19367 1 595 . 1 1 53 53 ALA CA C 13 55.176 0.3 . 1 . . . A 53 ALA CA . 19367 1 596 . 1 1 53 53 ALA CB C 13 16.573 0.3 . 1 . . . A 53 ALA CB . 19367 1 597 . 1 1 53 53 ALA N N 15 120.964 0.3 . 1 . . . A 53 ALA N . 19367 1 598 . 1 1 54 54 PHE H H 1 7.942 0.020 . 1 . . . A 54 PHE H . 19367 1 599 . 1 1 54 54 PHE HA H 1 4.329 0.020 . 1 . . . A 54 PHE HA . 19367 1 600 . 1 1 54 54 PHE HB2 H 1 3.298 0.020 . 2 . . . A 54 PHE HB2 . 19367 1 601 . 1 1 54 54 PHE HB3 H 1 3.156 0.020 . 2 . . . A 54 PHE HB3 . 19367 1 602 . 1 1 54 54 PHE HD1 H 1 7.425 0.020 . 1 . . . A 54 PHE HD1 . 19367 1 603 . 1 1 54 54 PHE HD2 H 1 7.425 0.020 . 1 . . . A 54 PHE HD2 . 19367 1 604 . 1 1 54 54 PHE HE1 H 1 7.059 0.020 . 1 . . . A 54 PHE HE1 . 19367 1 605 . 1 1 54 54 PHE HE2 H 1 7.059 0.020 . 1 . . . A 54 PHE HE2 . 19367 1 606 . 1 1 54 54 PHE HZ H 1 6.872 0.020 . 1 . . . A 54 PHE HZ . 19367 1 607 . 1 1 54 54 PHE CA C 13 63.496 0.3 . 1 . . . A 54 PHE CA . 19367 1 608 . 1 1 54 54 PHE CB C 13 39.097 0.3 . 1 . . . A 54 PHE CB . 19367 1 609 . 1 1 54 54 PHE CD1 C 13 132.240 0.3 . 1 . . . A 54 PHE CD1 . 19367 1 610 . 1 1 54 54 PHE CE1 C 13 130.404 0.3 . 1 . . . A 54 PHE CE1 . 19367 1 611 . 1 1 54 54 PHE CZ C 13 128.570 0.3 . 1 . . . A 54 PHE CZ . 19367 1 612 . 1 1 54 54 PHE N N 15 113.370 0.3 . 1 . . . A 54 PHE N . 19367 1 613 . 1 1 55 55 ILE H H 1 8.373 0.020 . 1 . . . A 55 ILE H . 19367 1 614 . 1 1 55 55 ILE HA H 1 3.946 0.020 . 1 . . . A 55 ILE HA . 19367 1 615 . 1 1 55 55 ILE HB H 1 2.029 0.020 . 1 . . . A 55 ILE HB . 19367 1 616 . 1 1 55 55 ILE HG12 H 1 1.737 0.020 . 2 . . . A 55 ILE HG12 . 19367 1 617 . 1 1 55 55 ILE HG13 H 1 1.247 0.020 . 2 . . . A 55 ILE HG13 . 19367 1 618 . 1 1 55 55 ILE HG21 H 1 0.982 0.020 . 1 . . . A 55 ILE HG21 . 19367 1 619 . 1 1 55 55 ILE HG22 H 1 0.982 0.020 . 1 . . . A 55 ILE HG22 . 19367 1 620 . 1 1 55 55 ILE HG23 H 1 0.982 0.020 . 1 . . . A 55 ILE HG23 . 19367 1 621 . 1 1 55 55 ILE HD11 H 1 0.853 0.020 . 1 . . . A 55 ILE HD11 . 19367 1 622 . 1 1 55 55 ILE HD12 H 1 0.853 0.020 . 1 . . . A 55 ILE HD12 . 19367 1 623 . 1 1 55 55 ILE HD13 H 1 0.853 0.020 . 1 . . . A 55 ILE HD13 . 19367 1 624 . 1 1 55 55 ILE CA C 13 64.969 0.3 . 1 . . . A 55 ILE CA . 19367 1 625 . 1 1 55 55 ILE CB C 13 37.589 0.3 . 1 . . . A 55 ILE CB . 19367 1 626 . 1 1 55 55 ILE CG1 C 13 29.488 0.3 . 1 . . . A 55 ILE CG1 . 19367 1 627 . 1 1 55 55 ILE CG2 C 13 17.528 0.3 . 1 . . . A 55 ILE CG2 . 19367 1 628 . 1 1 55 55 ILE CD1 C 13 13.101 0.3 . 1 . . . A 55 ILE CD1 . 19367 1 629 . 1 1 55 55 ILE N N 15 121.983 0.3 . 1 . . . A 55 ILE N . 19367 1 630 . 1 1 56 56 LYS H H 1 8.318 0.020 . 1 . . . A 56 LYS H . 19367 1 631 . 1 1 56 56 LYS HA H 1 3.860 0.020 . 1 . . . A 56 LYS HA . 19367 1 632 . 1 1 56 56 LYS HB2 H 1 1.657 0.020 . 1 . . . A 56 LYS HB2 . 19367 1 633 . 1 1 56 56 LYS HB3 H 1 1.657 0.020 . 1 . . . A 56 LYS HB3 . 19367 1 634 . 1 1 56 56 LYS HG2 H 1 1.413 0.020 . 2 . . . A 56 LYS HG2 . 19367 1 635 . 1 1 56 56 LYS HG3 H 1 1.338 0.020 . 2 . . . A 56 LYS HG3 . 19367 1 636 . 1 1 56 56 LYS HD2 H 1 1.658 0.020 . 1 . . . A 56 LYS HD2 . 19367 1 637 . 1 1 56 56 LYS HD3 H 1 1.658 0.020 . 1 . . . A 56 LYS HD3 . 19367 1 638 . 1 1 56 56 LYS HE2 H 1 3.106 0.020 . 2 . . . A 56 LYS HE2 . 19367 1 639 . 1 1 56 56 LYS HE3 H 1 3.036 0.020 . 2 . . . A 56 LYS HE3 . 19367 1 640 . 1 1 56 56 LYS CA C 13 59.835 0.3 . 1 . . . A 56 LYS CA . 19367 1 641 . 1 1 56 56 LYS CB C 13 31.904 0.3 . 1 . . . A 56 LYS CB . 19367 1 642 . 1 1 56 56 LYS CG C 13 25.813 0.3 . 1 . . . A 56 LYS CG . 19367 1 643 . 1 1 56 56 LYS CD C 13 28.942 0.3 . 1 . . . A 56 LYS CD . 19367 1 644 . 1 1 56 56 LYS CE C 13 42.089 0.3 . 1 . . . A 56 LYS CE . 19367 1 645 . 1 1 56 56 LYS N N 15 120.661 0.3 . 1 . . . A 56 LYS N . 19367 1 646 . 1 1 57 57 ALA H H 1 7.937 0.020 . 1 . . . A 57 ALA H . 19367 1 647 . 1 1 57 57 ALA HA H 1 3.784 0.020 . 1 . . . A 57 ALA HA . 19367 1 648 . 1 1 57 57 ALA HB1 H 1 1.441 0.020 . 1 . . . A 57 ALA HB1 . 19367 1 649 . 1 1 57 57 ALA HB2 H 1 1.441 0.020 . 1 . . . A 57 ALA HB2 . 19367 1 650 . 1 1 57 57 ALA HB3 H 1 1.441 0.020 . 1 . . . A 57 ALA HB3 . 19367 1 651 . 1 1 57 57 ALA CA C 13 54.552 0.3 . 1 . . . A 57 ALA CA . 19367 1 652 . 1 1 57 57 ALA CB C 13 18.251 0.3 . 1 . . . A 57 ALA CB . 19367 1 653 . 1 1 57 57 ALA N N 15 119.884 0.3 . 1 . . . A 57 ALA N . 19367 1 654 . 1 1 58 58 TYR H H 1 8.404 0.020 . 1 . . . A 58 TYR H . 19367 1 655 . 1 1 58 58 TYR HA H 1 3.549 0.020 . 1 . . . A 58 TYR HA . 19367 1 656 . 1 1 58 58 TYR HB2 H 1 2.845 0.020 . 2 . . . A 58 TYR HB2 . 19367 1 657 . 1 1 58 58 TYR HB3 H 1 2.378 0.020 . 2 . . . A 58 TYR HB3 . 19367 1 658 . 1 1 58 58 TYR HD1 H 1 6.318 0.020 . 1 . . . A 58 TYR HD1 . 19367 1 659 . 1 1 58 58 TYR HD2 H 1 6.318 0.020 . 1 . . . A 58 TYR HD2 . 19367 1 660 . 1 1 58 58 TYR HE1 H 1 6.617 0.020 . 1 . . . A 58 TYR HE1 . 19367 1 661 . 1 1 58 58 TYR HE2 H 1 6.617 0.020 . 1 . . . A 58 TYR HE2 . 19367 1 662 . 1 1 58 58 TYR CA C 13 61.528 0.3 . 1 . . . A 58 TYR CA . 19367 1 663 . 1 1 58 58 TYR CB C 13 37.885 0.3 . 1 . . . A 58 TYR CB . 19367 1 664 . 1 1 58 58 TYR CD1 C 13 132.456 0.3 . 1 . . . A 58 TYR CD1 . 19367 1 665 . 1 1 58 58 TYR CE1 C 13 117.926 0.3 . 1 . . . A 58 TYR CE1 . 19367 1 666 . 1 1 58 58 TYR N N 15 116.541 0.3 . 1 . . . A 58 TYR N . 19367 1 667 . 1 1 59 59 ARG H H 1 8.404 0.020 . 1 . . . A 59 ARG H . 19367 1 668 . 1 1 59 59 ARG HA H 1 3.791 0.020 . 1 . . . A 59 ARG HA . 19367 1 669 . 1 1 59 59 ARG HB2 H 1 1.911 0.020 . 1 . . . A 59 ARG HB2 . 19367 1 670 . 1 1 59 59 ARG HB3 H 1 1.911 0.020 . 1 . . . A 59 ARG HB3 . 19367 1 671 . 1 1 59 59 ARG HG2 H 1 1.980 0.020 . 2 . . . A 59 ARG HG2 . 19367 1 672 . 1 1 59 59 ARG HG3 H 1 1.769 0.020 . 2 . . . A 59 ARG HG3 . 19367 1 673 . 1 1 59 59 ARG HD2 H 1 3.172 0.020 . 1 . . . A 59 ARG HD2 . 19367 1 674 . 1 1 59 59 ARG HD3 H 1 3.172 0.020 . 1 . . . A 59 ARG HD3 . 19367 1 675 . 1 1 59 59 ARG CA C 13 58.500 0.3 . 1 . . . A 59 ARG CA . 19367 1 676 . 1 1 59 59 ARG CB C 13 30.268 0.3 . 1 . . . A 59 ARG CB . 19367 1 677 . 1 1 59 59 ARG CG C 13 28.045 0.3 . 1 . . . A 59 ARG CG . 19367 1 678 . 1 1 59 59 ARG CD C 13 43.722 0.3 . 1 . . . A 59 ARG CD . 19367 1 679 . 1 1 59 59 ARG N N 15 116.321 0.3 . 1 . . . A 59 ARG N . 19367 1 680 . 1 1 60 60 ALA H H 1 7.630 0.020 . 1 . . . A 60 ALA H . 19367 1 681 . 1 1 60 60 ALA HA H 1 4.879 0.020 . 1 . . . A 60 ALA HA . 19367 1 682 . 1 1 60 60 ALA HB1 H 1 1.666 0.020 . 1 . . . A 60 ALA HB1 . 19367 1 683 . 1 1 60 60 ALA HB2 H 1 1.666 0.020 . 1 . . . A 60 ALA HB2 . 19367 1 684 . 1 1 60 60 ALA HB3 H 1 1.666 0.020 . 1 . . . A 60 ALA HB3 . 19367 1 685 . 1 1 60 60 ALA CA C 13 51.372 0.3 . 1 . . . A 60 ALA CA . 19367 1 686 . 1 1 60 60 ALA CB C 13 20.539 0.3 . 1 . . . A 60 ALA CB . 19367 1 687 . 1 1 60 60 ALA N N 15 118.867 0.3 . 1 . . . A 60 ALA N . 19367 1 688 . 1 1 61 61 LEU H H 1 7.598 0.020 . 1 . . . A 61 LEU H . 19367 1 689 . 1 1 61 61 LEU HA H 1 4.094 0.020 . 1 . . . A 61 LEU HA . 19367 1 690 . 1 1 61 61 LEU HB2 H 1 2.137 0.020 . 2 . . . A 61 LEU HB2 . 19367 1 691 . 1 1 61 61 LEU HB3 H 1 1.606 0.020 . 2 . . . A 61 LEU HB3 . 19367 1 692 . 1 1 61 61 LEU HD11 H 1 1.126 0.020 . 1 . . . A 61 LEU HD11 . 19367 1 693 . 1 1 61 61 LEU HD12 H 1 1.126 0.020 . 1 . . . A 61 LEU HD12 . 19367 1 694 . 1 1 61 61 LEU HD13 H 1 1.126 0.020 . 1 . . . A 61 LEU HD13 . 19367 1 695 . 1 1 61 61 LEU HD21 H 1 1.052 0.020 . 1 . . . A 61 LEU HD21 . 19367 1 696 . 1 1 61 61 LEU HD22 H 1 1.052 0.020 . 1 . . . A 61 LEU HD22 . 19367 1 697 . 1 1 61 61 LEU HD23 H 1 1.052 0.020 . 1 . . . A 61 LEU HD23 . 19367 1 698 . 1 1 61 61 LEU CA C 13 58.442 0.3 . 1 . . . A 61 LEU CA . 19367 1 699 . 1 1 61 61 LEU CB C 13 42.290 0.3 . 1 . . . A 61 LEU CB . 19367 1 700 . 1 1 61 61 LEU CD1 C 13 25.568 0.3 . 1 . . . A 61 LEU CD1 . 19367 1 701 . 1 1 61 61 LEU CD2 C 13 26.603 0.3 . 1 . . . A 61 LEU CD2 . 19367 1 702 . 1 1 61 61 LEU N N 15 124.902 0.3 . 1 . . . A 61 LEU N . 19367 1 703 . 1 1 62 62 ASP H H 1 8.686 0.020 . 1 . . . A 62 ASP H . 19367 1 704 . 1 1 62 62 ASP HA H 1 4.345 0.020 . 1 . . . A 62 ASP HA . 19367 1 705 . 1 1 62 62 ASP HB2 H 1 2.676 0.020 . 1 . . . A 62 ASP HB2 . 19367 1 706 . 1 1 62 62 ASP HB3 H 1 2.676 0.020 . 1 . . . A 62 ASP HB3 . 19367 1 707 . 1 1 62 62 ASP CA C 13 56.690 0.3 . 1 . . . A 62 ASP CA . 19367 1 708 . 1 1 62 62 ASP CB C 13 39.812 0.3 . 1 . . . A 62 ASP CB . 19367 1 709 . 1 1 62 62 ASP N N 15 117.094 0.3 . 1 . . . A 62 ASP N . 19367 1 710 . 1 1 63 63 SER H H 1 7.969 0.020 . 1 . . . A 63 SER H . 19367 1 711 . 1 1 63 63 SER HA H 1 4.554 0.020 . 1 . . . A 63 SER HA . 19367 1 712 . 1 1 63 63 SER HB2 H 1 4.143 0.020 . 2 . . . A 63 SER HB2 . 19367 1 713 . 1 1 63 63 SER HB3 H 1 3.994 0.020 . 2 . . . A 63 SER HB3 . 19367 1 714 . 1 1 63 63 SER CA C 13 58.052 0.3 . 1 . . . A 63 SER CA . 19367 1 715 . 1 1 63 63 SER CB C 13 64.719 0.3 . 1 . . . A 63 SER CB . 19367 1 716 . 1 1 63 63 SER N N 15 112.854 0.3 . 1 . . . A 63 SER N . 19367 1 717 . 1 1 64 64 PHE H H 1 7.383 0.020 . 1 . . . A 64 PHE H . 19367 1 718 . 1 1 64 64 PHE HA H 1 4.238 0.020 . 1 . . . A 64 PHE HA . 19367 1 719 . 1 1 64 64 PHE HB2 H 1 2.642 0.020 . 2 . . . A 64 PHE HB2 . 19367 1 720 . 1 1 64 64 PHE HB3 H 1 1.852 0.020 . 2 . . . A 64 PHE HB3 . 19367 1 721 . 1 1 64 64 PHE HD1 H 1 6.037 0.020 . 1 . . . A 64 PHE HD1 . 19367 1 722 . 1 1 64 64 PHE HD2 H 1 6.037 0.020 . 1 . . . A 64 PHE HD2 . 19367 1 723 . 1 1 64 64 PHE HE1 H 1 7.114 0.020 . 1 . . . A 64 PHE HE1 . 19367 1 724 . 1 1 64 64 PHE HE2 H 1 7.114 0.020 . 1 . . . A 64 PHE HE2 . 19367 1 725 . 1 1 64 64 PHE HZ H 1 7.277 0.020 . 1 . . . A 64 PHE HZ . 19367 1 726 . 1 1 64 64 PHE CA C 13 56.826 0.3 . 1 . . . A 64 PHE CA . 19367 1 727 . 1 1 64 64 PHE CB C 13 38.210 0.3 . 1 . . . A 64 PHE CB . 19367 1 728 . 1 1 64 64 PHE CD1 C 13 131.300 0.3 . 1 . . . A 64 PHE CD1 . 19367 1 729 . 1 1 64 64 PHE CE1 C 13 131.008 0.3 . 1 . . . A 64 PHE CE1 . 19367 1 730 . 1 1 64 64 PHE CZ C 13 128.679 0.3 . 1 . . . A 64 PHE CZ . 19367 1 731 . 1 1 64 64 PHE N N 15 125.623 0.3 . 1 . . . A 64 PHE N . 19367 1 732 . 1 1 65 65 ARG H H 1 10.968 0.020 . 1 . . . A 65 ARG H . 19367 1 733 . 1 1 65 65 ARG HA H 1 3.861 0.020 . 1 . . . A 65 ARG HA . 19367 1 734 . 1 1 65 65 ARG HB2 H 1 1.494 0.020 . 2 . . . A 65 ARG HB2 . 19367 1 735 . 1 1 65 65 ARG HB3 H 1 1.713 0.020 . 2 . . . A 65 ARG HB3 . 19367 1 736 . 1 1 65 65 ARG HG2 H 1 1.830 0.020 . 2 . . . A 65 ARG HG2 . 19367 1 737 . 1 1 65 65 ARG HG3 H 1 1.407 0.020 . 2 . . . A 65 ARG HG3 . 19367 1 738 . 1 1 65 65 ARG HD2 H 1 3.382 0.020 . 2 . . . A 65 ARG HD2 . 19367 1 739 . 1 1 65 65 ARG HD3 H 1 3.006 0.020 . 2 . . . A 65 ARG HD3 . 19367 1 740 . 1 1 65 65 ARG HE H 1 7.552 0.020 . 1 . . . A 65 ARG HE . 19367 1 741 . 1 1 65 65 ARG CA C 13 57.826 0.3 . 1 . . . A 65 ARG CA . 19367 1 742 . 1 1 65 65 ARG CB C 13 31.054 0.3 . 1 . . . A 65 ARG CB . 19367 1 743 . 1 1 65 65 ARG CG C 13 29.008 0.3 . 1 . . . A 65 ARG CG . 19367 1 744 . 1 1 65 65 ARG CD C 13 43.156 0.3 . 1 . . . A 65 ARG CD . 19367 1 745 . 1 1 65 65 ARG N N 15 133.273 0.3 . 1 . . . A 65 ARG N . 19367 1 746 . 1 1 65 65 ARG NE N 15 82.893 0.3 . 1 . . . A 65 ARG NE . 19367 1 747 . 1 1 66 66 GLY H H 1 5.673 0.020 . 1 . . . A 66 GLY H . 19367 1 748 . 1 1 66 66 GLY HA2 H 1 3.172 0.020 . 2 . . . A 66 GLY HA2 . 19367 1 749 . 1 1 66 66 GLY HA3 H 1 3.775 0.020 . 2 . . . A 66 GLY HA3 . 19367 1 750 . 1 1 66 66 GLY CA C 13 46.309 0.3 . 1 . . . A 66 GLY CA . 19367 1 751 . 1 1 66 66 GLY N N 15 103.283 0.3 . 1 . . . A 66 GLY N . 19367 1 752 . 1 1 67 67 ASP H H 1 7.960 0.020 . 1 . . . A 67 ASP H . 19367 1 753 . 1 1 67 67 ASP HA H 1 4.551 0.020 . 1 . . . A 67 ASP HA . 19367 1 754 . 1 1 67 67 ASP HB2 H 1 2.985 0.020 . 2 . . . A 67 ASP HB2 . 19367 1 755 . 1 1 67 67 ASP HB3 H 1 2.256 0.020 . 2 . . . A 67 ASP HB3 . 19367 1 756 . 1 1 67 67 ASP CA C 13 55.488 0.3 . 1 . . . A 67 ASP CA . 19367 1 757 . 1 1 67 67 ASP CB C 13 40.655 0.3 . 1 . . . A 67 ASP CB . 19367 1 758 . 1 1 67 67 ASP N N 15 120.001 0.3 . 1 . . . A 67 ASP N . 19367 1 759 . 1 1 68 68 SER H H 1 7.692 0.020 . 1 . . . A 68 SER H . 19367 1 760 . 1 1 68 68 SER HA H 1 4.633 0.020 . 1 . . . A 68 SER HA . 19367 1 761 . 1 1 68 68 SER HB2 H 1 4.704 0.020 . 2 . . . A 68 SER HB2 . 19367 1 762 . 1 1 68 68 SER HB3 H 1 4.237 0.020 . 2 . . . A 68 SER HB3 . 19367 1 763 . 1 1 68 68 SER CA C 13 56.762 0.3 . 1 . . . A 68 SER CA . 19367 1 764 . 1 1 68 68 SER CB C 13 67.439 0.3 . 1 . . . A 68 SER CB . 19367 1 765 . 1 1 68 68 SER N N 15 110.787 0.3 . 1 . . . A 68 SER N . 19367 1 766 . 1 1 69 69 ALA H H 1 9.726 0.020 . 1 . . . A 69 ALA H . 19367 1 767 . 1 1 69 69 ALA HA H 1 4.692 0.020 . 1 . . . A 69 ALA HA . 19367 1 768 . 1 1 69 69 ALA HB1 H 1 1.833 0.020 . 1 . . . A 69 ALA HB1 . 19367 1 769 . 1 1 69 69 ALA HB2 H 1 1.833 0.020 . 1 . . . A 69 ALA HB2 . 19367 1 770 . 1 1 69 69 ALA HB3 H 1 1.833 0.020 . 1 . . . A 69 ALA HB3 . 19367 1 771 . 1 1 69 69 ALA CA C 13 52.674 0.3 . 1 . . . A 69 ALA CA . 19367 1 772 . 1 1 69 69 ALA CB C 13 18.751 0.3 . 1 . . . A 69 ALA CB . 19367 1 773 . 1 1 69 69 ALA N N 15 122.464 0.3 . 1 . . . A 69 ALA N . 19367 1 774 . 1 1 70 70 PHE H H 1 9.774 0.020 . 1 . . . A 70 PHE H . 19367 1 775 . 1 1 70 70 PHE HA H 1 4.085 0.020 . 1 . . . A 70 PHE HA . 19367 1 776 . 1 1 70 70 PHE HB2 H 1 3.370 0.020 . 2 . . . A 70 PHE HB2 . 19367 1 777 . 1 1 70 70 PHE HB3 H 1 3.073 0.020 . 2 . . . A 70 PHE HB3 . 19367 1 778 . 1 1 70 70 PHE HD1 H 1 6.823 0.020 . 1 . . . A 70 PHE HD1 . 19367 1 779 . 1 1 70 70 PHE HD2 H 1 6.823 0.020 . 1 . . . A 70 PHE HD2 . 19367 1 780 . 1 1 70 70 PHE HE1 H 1 7.213 0.020 . 1 . . . A 70 PHE HE1 . 19367 1 781 . 1 1 70 70 PHE HE2 H 1 7.213 0.020 . 1 . . . A 70 PHE HE2 . 19367 1 782 . 1 1 70 70 PHE HZ H 1 7.067 0.020 . 1 . . . A 70 PHE HZ . 19367 1 783 . 1 1 70 70 PHE CA C 13 62.108 0.3 . 1 . . . A 70 PHE CA . 19367 1 784 . 1 1 70 70 PHE CB C 13 39.054 0.3 . 1 . . . A 70 PHE CB . 19367 1 785 . 1 1 70 70 PHE CD1 C 13 132.094 0.3 . 1 . . . A 70 PHE CD1 . 19367 1 786 . 1 1 70 70 PHE CE1 C 13 130.873 0.3 . 1 . . . A 70 PHE CE1 . 19367 1 787 . 1 1 70 70 PHE CZ C 13 128.162 0.3 . 1 . . . A 70 PHE CZ . 19367 1 788 . 1 1 70 70 PHE N N 15 127.188 0.3 . 1 . . . A 70 PHE N . 19367 1 789 . 1 1 71 71 TYR H H 1 9.720 0.020 . 1 . . . A 71 TYR H . 19367 1 790 . 1 1 71 71 TYR HA H 1 3.449 0.020 . 1 . . . A 71 TYR HA . 19367 1 791 . 1 1 71 71 TYR HB2 H 1 3.045 0.020 . 2 . . . A 71 TYR HB2 . 19367 1 792 . 1 1 71 71 TYR HB3 H 1 2.832 0.020 . 2 . . . A 71 TYR HB3 . 19367 1 793 . 1 1 71 71 TYR HD1 H 1 6.676 0.020 . 1 . . . A 71 TYR HD1 . 19367 1 794 . 1 1 71 71 TYR HD2 H 1 6.676 0.020 . 1 . . . A 71 TYR HD2 . 19367 1 795 . 1 1 71 71 TYR HE1 H 1 6.487 0.020 . 1 . . . A 71 TYR HE1 . 19367 1 796 . 1 1 71 71 TYR HE2 H 1 6.487 0.020 . 1 . . . A 71 TYR HE2 . 19367 1 797 . 1 1 71 71 TYR CA C 13 61.684 0.3 . 1 . . . A 71 TYR CA . 19367 1 798 . 1 1 71 71 TYR CB C 13 37.072 0.3 . 1 . . . A 71 TYR CB . 19367 1 799 . 1 1 71 71 TYR CD1 C 13 133.766 0.3 . 1 . . . A 71 TYR CD1 . 19367 1 800 . 1 1 71 71 TYR CE1 C 13 116.305 0.3 . 1 . . . A 71 TYR CE1 . 19367 1 801 . 1 1 71 71 TYR N N 15 117.533 0.3 . 1 . . . A 71 TYR N . 19367 1 802 . 1 1 72 72 THR H H 1 6.675 0.020 . 1 . . . A 72 THR H . 19367 1 803 . 1 1 72 72 THR HA H 1 5.436 0.020 . 1 . . . A 72 THR HA . 19367 1 804 . 1 1 72 72 THR HB H 1 4.446 0.020 . 1 . . . A 72 THR HB . 19367 1 805 . 1 1 72 72 THR HG21 H 1 1.444 0.020 . 1 . . . A 72 THR HG21 . 19367 1 806 . 1 1 72 72 THR HG22 H 1 1.444 0.020 . 1 . . . A 72 THR HG22 . 19367 1 807 . 1 1 72 72 THR HG23 H 1 1.444 0.020 . 1 . . . A 72 THR HG23 . 19367 1 808 . 1 1 72 72 THR CA C 13 63.426 0.3 . 1 . . . A 72 THR CA . 19367 1 809 . 1 1 72 72 THR CB C 13 68.762 0.3 . 1 . . . A 72 THR CB . 19367 1 810 . 1 1 72 72 THR CG2 C 13 24.175 0.3 . 1 . . . A 72 THR CG2 . 19367 1 811 . 1 1 72 72 THR N N 15 114.574 0.3 . 1 . . . A 72 THR N . 19367 1 812 . 1 1 73 73 TRP H H 1 6.924 0.020 . 1 . . . A 73 TRP H . 19367 1 813 . 1 1 73 73 TRP HA H 1 3.956 0.020 . 1 . . . A 73 TRP HA . 19367 1 814 . 1 1 73 73 TRP HB2 H 1 3.123 0.020 . 2 . . . A 73 TRP HB2 . 19367 1 815 . 1 1 73 73 TRP HB3 H 1 2.951 0.020 . 2 . . . A 73 TRP HB3 . 19367 1 816 . 1 1 73 73 TRP HD1 H 1 6.927 0.020 . 1 . . . A 73 TRP HD1 . 19367 1 817 . 1 1 73 73 TRP HE1 H 1 10.580 0.020 . 1 . . . A 73 TRP HE1 . 19367 1 818 . 1 1 73 73 TRP HE3 H 1 6.510 0.020 . 1 . . . A 73 TRP HE3 . 19367 1 819 . 1 1 73 73 TRP HZ2 H 1 7.113 0.020 . 1 . . . A 73 TRP HZ2 . 19367 1 820 . 1 1 73 73 TRP HZ3 H 1 6.653 0.020 . 1 . . . A 73 TRP HZ3 . 19367 1 821 . 1 1 73 73 TRP HH2 H 1 7.219 0.020 . 1 . . . A 73 TRP HH2 . 19367 1 822 . 1 1 73 73 TRP CA C 13 62.112 0.3 . 1 . . . A 73 TRP CA . 19367 1 823 . 1 1 73 73 TRP CB C 13 28.971 0.3 . 1 . . . A 73 TRP CB . 19367 1 824 . 1 1 73 73 TRP CD1 C 13 125.259 0.3 . 1 . . . A 73 TRP CD1 . 19367 1 825 . 1 1 73 73 TRP CE3 C 13 119.717 0.3 . 1 . . . A 73 TRP CE3 . 19367 1 826 . 1 1 73 73 TRP CZ2 C 13 113.566 0.3 . 1 . . . A 73 TRP CZ2 . 19367 1 827 . 1 1 73 73 TRP CZ3 C 13 121.460 0.3 . 1 . . . A 73 TRP CZ3 . 19367 1 828 . 1 1 73 73 TRP CH2 C 13 123.901 0.3 . 1 . . . A 73 TRP CH2 . 19367 1 829 . 1 1 73 73 TRP N N 15 123.561 0.3 . 1 . . . A 73 TRP N . 19367 1 830 . 1 1 73 73 TRP NE1 N 15 128.666 0.3 . 1 . . . A 73 TRP NE1 . 19367 1 831 . 1 1 74 74 LEU H H 1 7.903 0.020 . 1 . . . A 74 LEU H . 19367 1 832 . 1 1 74 74 LEU HA H 1 2.960 0.020 . 1 . . . A 74 LEU HA . 19367 1 833 . 1 1 74 74 LEU HB2 H 1 0.250 0.020 . 2 . . . A 74 LEU HB2 . 19367 1 834 . 1 1 74 74 LEU HB3 H 1 1.013 0.020 . 2 . . . A 74 LEU HB3 . 19367 1 835 . 1 1 74 74 LEU HG H 1 0.796 0.020 . 1 . . . A 74 LEU HG . 19367 1 836 . 1 1 74 74 LEU HD11 H 1 0.547 0.020 . 1 . . . A 74 LEU HD11 . 19367 1 837 . 1 1 74 74 LEU HD12 H 1 0.547 0.020 . 1 . . . A 74 LEU HD12 . 19367 1 838 . 1 1 74 74 LEU HD13 H 1 0.547 0.020 . 1 . . . A 74 LEU HD13 . 19367 1 839 . 1 1 74 74 LEU HD21 H 1 0.141 0.020 . 1 . . . A 74 LEU HD21 . 19367 1 840 . 1 1 74 74 LEU HD22 H 1 0.141 0.020 . 1 . . . A 74 LEU HD22 . 19367 1 841 . 1 1 74 74 LEU HD23 H 1 0.141 0.020 . 1 . . . A 74 LEU HD23 . 19367 1 842 . 1 1 74 74 LEU CA C 13 57.105 0.3 . 1 . . . A 74 LEU CA . 19367 1 843 . 1 1 74 74 LEU CB C 13 41.503 0.3 . 1 . . . A 74 LEU CB . 19367 1 844 . 1 1 74 74 LEU CG C 13 26.459 0.3 . 1 . . . A 74 LEU CG . 19367 1 845 . 1 1 74 74 LEU CD1 C 13 26.543 0.3 . 1 . . . A 74 LEU CD1 . 19367 1 846 . 1 1 74 74 LEU CD2 C 13 21.816 0.3 . 1 . . . A 74 LEU CD2 . 19367 1 847 . 1 1 74 74 LEU N N 15 118.760 0.3 . 1 . . . A 74 LEU N . 19367 1 848 . 1 1 75 75 TYR H H 1 8.717 0.020 . 1 . . . A 75 TYR H . 19367 1 849 . 1 1 75 75 TYR HA H 1 2.928 0.020 . 1 . . . A 75 TYR HA . 19367 1 850 . 1 1 75 75 TYR HB2 H 1 2.734 0.020 . 2 . . . A 75 TYR HB2 . 19367 1 851 . 1 1 75 75 TYR HB3 H 1 1.769 0.020 . 2 . . . A 75 TYR HB3 . 19367 1 852 . 1 1 75 75 TYR HD1 H 1 5.949 0.020 . 1 . . . A 75 TYR HD1 . 19367 1 853 . 1 1 75 75 TYR HD2 H 1 5.949 0.020 . 1 . . . A 75 TYR HD2 . 19367 1 854 . 1 1 75 75 TYR HE1 H 1 5.842 0.020 . 1 . . . A 75 TYR HE1 . 19367 1 855 . 1 1 75 75 TYR HE2 H 1 5.842 0.020 . 1 . . . A 75 TYR HE2 . 19367 1 856 . 1 1 75 75 TYR CA C 13 60.187 0.3 . 1 . . . A 75 TYR CA . 19367 1 857 . 1 1 75 75 TYR CB C 13 37.987 0.3 . 1 . . . A 75 TYR CB . 19367 1 858 . 1 1 75 75 TYR CD1 C 13 132.037 0.3 . 1 . . . A 75 TYR CD1 . 19367 1 859 . 1 1 75 75 TYR CE1 C 13 115.863 0.3 . 1 . . . A 75 TYR CE1 . 19367 1 860 . 1 1 75 75 TYR N N 15 119.616 0.3 . 1 . . . A 75 TYR N . 19367 1 861 . 1 1 76 76 ARG H H 1 6.809 0.020 . 1 . . . A 76 ARG H . 19367 1 862 . 1 1 76 76 ARG HA H 1 3.634 0.020 . 1 . . . A 76 ARG HA . 19367 1 863 . 1 1 76 76 ARG HB2 H 1 2.021 0.020 . 2 . . . A 76 ARG HB2 . 19367 1 864 . 1 1 76 76 ARG HB3 H 1 1.858 0.020 . 2 . . . A 76 ARG HB3 . 19367 1 865 . 1 1 76 76 ARG HG2 H 1 1.395 0.020 . 1 . . . A 76 ARG HG2 . 19367 1 866 . 1 1 76 76 ARG HG3 H 1 1.395 0.020 . 1 . . . A 76 ARG HG3 . 19367 1 867 . 1 1 76 76 ARG HD2 H 1 3.324 0.020 . 2 . . . A 76 ARG HD2 . 19367 1 868 . 1 1 76 76 ARG HD3 H 1 3.253 0.020 . 2 . . . A 76 ARG HD3 . 19367 1 869 . 1 1 76 76 ARG CA C 13 56.003 0.3 . 1 . . . A 76 ARG CA . 19367 1 870 . 1 1 76 76 ARG CB C 13 27.476 0.3 . 1 . . . A 76 ARG CB . 19367 1 871 . 1 1 76 76 ARG CG C 13 26.736 0.3 . 1 . . . A 76 ARG CG . 19367 1 872 . 1 1 76 76 ARG CD C 13 40.832 0.3 . 1 . . . A 76 ARG CD . 19367 1 873 . 1 1 76 76 ARG N N 15 116.789 0.3 . 1 . . . A 76 ARG N . 19367 1 874 . 1 1 77 77 ILE H H 1 7.316 0.020 . 1 . . . A 77 ILE H . 19367 1 875 . 1 1 77 77 ILE HA H 1 2.853 0.020 . 1 . . . A 77 ILE HA . 19367 1 876 . 1 1 77 77 ILE HB H 1 1.227 0.020 . 1 . . . A 77 ILE HB . 19367 1 877 . 1 1 77 77 ILE HG12 H 1 -1.130 0.020 . 2 . . . A 77 ILE HG12 . 19367 1 878 . 1 1 77 77 ILE HG13 H 1 0.553 0.020 . 2 . . . A 77 ILE HG13 . 19367 1 879 . 1 1 77 77 ILE HG21 H 1 0.188 0.020 . 1 . . . A 77 ILE HG21 . 19367 1 880 . 1 1 77 77 ILE HG22 H 1 0.188 0.020 . 1 . . . A 77 ILE HG22 . 19367 1 881 . 1 1 77 77 ILE HG23 H 1 0.188 0.020 . 1 . . . A 77 ILE HG23 . 19367 1 882 . 1 1 77 77 ILE HD11 H 1 -1.241 0.020 . 1 . . . A 77 ILE HD11 . 19367 1 883 . 1 1 77 77 ILE HD12 H 1 -1.241 0.020 . 1 . . . A 77 ILE HD12 . 19367 1 884 . 1 1 77 77 ILE HD13 H 1 -1.241 0.020 . 1 . . . A 77 ILE HD13 . 19367 1 885 . 1 1 77 77 ILE CA C 13 65.599 0.3 . 1 . . . A 77 ILE CA . 19367 1 886 . 1 1 77 77 ILE CB C 13 36.937 0.3 . 1 . . . A 77 ILE CB . 19367 1 887 . 1 1 77 77 ILE CG1 C 13 27.231 0.3 . 1 . . . A 77 ILE CG1 . 19367 1 888 . 1 1 77 77 ILE CG2 C 13 16.285 0.3 . 1 . . . A 77 ILE CG2 . 19367 1 889 . 1 1 77 77 ILE CD1 C 13 10.389 0.3 . 1 . . . A 77 ILE CD1 . 19367 1 890 . 1 1 77 77 ILE N N 15 117.721 0.3 . 1 . . . A 77 ILE N . 19367 1 891 . 1 1 78 78 ALA H H 1 8.788 0.020 . 1 . . . A 78 ALA H . 19367 1 892 . 1 1 78 78 ALA HA H 1 3.369 0.020 . 1 . . . A 78 ALA HA . 19367 1 893 . 1 1 78 78 ALA HB1 H 1 0.881 0.020 . 1 . . . A 78 ALA HB1 . 19367 1 894 . 1 1 78 78 ALA HB2 H 1 0.881 0.020 . 1 . . . A 78 ALA HB2 . 19367 1 895 . 1 1 78 78 ALA HB3 H 1 0.881 0.020 . 1 . . . A 78 ALA HB3 . 19367 1 896 . 1 1 78 78 ALA CA C 13 55.876 0.3 . 1 . . . A 78 ALA CA . 19367 1 897 . 1 1 78 78 ALA CB C 13 17.833 0.3 . 1 . . . A 78 ALA CB . 19367 1 898 . 1 1 78 78 ALA N N 15 125.528 0.3 . 1 . . . A 78 ALA N . 19367 1 899 . 1 1 79 79 VAL H H 1 8.046 0.020 . 1 . . . A 79 VAL H . 19367 1 900 . 1 1 79 79 VAL HA H 1 2.819 0.020 . 1 . . . A 79 VAL HA . 19367 1 901 . 1 1 79 79 VAL HB H 1 1.607 0.020 . 1 . . . A 79 VAL HB . 19367 1 902 . 1 1 79 79 VAL HG11 H 1 0.473 0.020 . 1 . . . A 79 VAL HG11 . 19367 1 903 . 1 1 79 79 VAL HG12 H 1 0.473 0.020 . 1 . . . A 79 VAL HG12 . 19367 1 904 . 1 1 79 79 VAL HG13 H 1 0.473 0.020 . 1 . . . A 79 VAL HG13 . 19367 1 905 . 1 1 79 79 VAL HG21 H 1 0.482 0.020 . 1 . . . A 79 VAL HG21 . 19367 1 906 . 1 1 79 79 VAL HG22 H 1 0.482 0.020 . 1 . . . A 79 VAL HG22 . 19367 1 907 . 1 1 79 79 VAL HG23 H 1 0.482 0.020 . 1 . . . A 79 VAL HG23 . 19367 1 908 . 1 1 79 79 VAL CA C 13 67.174 0.3 . 1 . . . A 79 VAL CA . 19367 1 909 . 1 1 79 79 VAL CB C 13 31.642 0.3 . 1 . . . A 79 VAL CB . 19367 1 910 . 1 1 79 79 VAL CG1 C 13 23.197 0.3 . 1 . . . A 79 VAL CG1 . 19367 1 911 . 1 1 79 79 VAL CG2 C 13 20.913 0.3 . 1 . . . A 79 VAL CG2 . 19367 1 912 . 1 1 79 79 VAL N N 15 117.392 0.3 . 1 . . . A 79 VAL N . 19367 1 913 . 1 1 80 80 ASN H H 1 8.146 0.020 . 1 . . . A 80 ASN H . 19367 1 914 . 1 1 80 80 ASN HA H 1 4.368 0.020 . 1 . . . A 80 ASN HA . 19367 1 915 . 1 1 80 80 ASN HB2 H 1 2.932 0.020 . 2 . . . A 80 ASN HB2 . 19367 1 916 . 1 1 80 80 ASN HB3 H 1 2.659 0.020 . 2 . . . A 80 ASN HB3 . 19367 1 917 . 1 1 80 80 ASN HD21 H 1 7.250 0.020 . 1 . . . A 80 ASN HD21 . 19367 1 918 . 1 1 80 80 ASN HD22 H 1 7.590 0.020 . 1 . . . A 80 ASN HD22 . 19367 1 919 . 1 1 80 80 ASN CA C 13 55.630 0.3 . 1 . . . A 80 ASN CA . 19367 1 920 . 1 1 80 80 ASN CB C 13 36.752 0.3 . 1 . . . A 80 ASN CB . 19367 1 921 . 1 1 80 80 ASN N N 15 117.152 0.3 . 1 . . . A 80 ASN N . 19367 1 922 . 1 1 80 80 ASN ND2 N 15 111.301 0.3 . 1 . . . A 80 ASN ND2 . 19367 1 923 . 1 1 81 81 THR H H 1 8.320 0.020 . 1 . . . A 81 THR H . 19367 1 924 . 1 1 81 81 THR HA H 1 3.795 0.020 . 1 . . . A 81 THR HA . 19367 1 925 . 1 1 81 81 THR HB H 1 3.978 0.020 . 1 . . . A 81 THR HB . 19367 1 926 . 1 1 81 81 THR HG21 H 1 1.105 0.020 . 1 . . . A 81 THR HG21 . 19367 1 927 . 1 1 81 81 THR HG22 H 1 1.105 0.020 . 1 . . . A 81 THR HG22 . 19367 1 928 . 1 1 81 81 THR HG23 H 1 1.105 0.020 . 1 . . . A 81 THR HG23 . 19367 1 929 . 1 1 81 81 THR CA C 13 67.441 0.3 . 1 . . . A 81 THR CA . 19367 1 930 . 1 1 81 81 THR CB C 13 68.102 0.3 . 1 . . . A 81 THR CB . 19367 1 931 . 1 1 81 81 THR CG2 C 13 21.378 0.3 . 1 . . . A 81 THR CG2 . 19367 1 932 . 1 1 81 81 THR N N 15 119.140 0.3 . 1 . . . A 81 THR N . 19367 1 933 . 1 1 82 82 ALA H H 1 8.037 0.020 . 1 . . . A 82 ALA H . 19367 1 934 . 1 1 82 82 ALA HA H 1 3.789 0.020 . 1 . . . A 82 ALA HA . 19367 1 935 . 1 1 82 82 ALA HB1 H 1 1.272 0.020 . 1 . . . A 82 ALA HB1 . 19367 1 936 . 1 1 82 82 ALA HB2 H 1 1.272 0.020 . 1 . . . A 82 ALA HB2 . 19367 1 937 . 1 1 82 82 ALA HB3 H 1 1.272 0.020 . 1 . . . A 82 ALA HB3 . 19367 1 938 . 1 1 82 82 ALA CA C 13 55.415 0.3 . 1 . . . A 82 ALA CA . 19367 1 939 . 1 1 82 82 ALA CB C 13 18.020 0.3 . 1 . . . A 82 ALA CB . 19367 1 940 . 1 1 82 82 ALA N N 15 124.957 0.3 . 1 . . . A 82 ALA N . 19367 1 941 . 1 1 83 83 LYS H H 1 8.314 0.020 . 1 . . . A 83 LYS H . 19367 1 942 . 1 1 83 83 LYS HA H 1 3.815 0.020 . 1 . . . A 83 LYS HA . 19367 1 943 . 1 1 83 83 LYS HB2 H 1 1.771 0.020 . 2 . . . A 83 LYS HB2 . 19367 1 944 . 1 1 83 83 LYS HB3 H 1 1.710 0.020 . 2 . . . A 83 LYS HB3 . 19367 1 945 . 1 1 83 83 LYS HG2 H 1 1.321 0.020 . 2 . . . A 83 LYS HG2 . 19367 1 946 . 1 1 83 83 LYS HG3 H 1 1.156 0.020 . 2 . . . A 83 LYS HG3 . 19367 1 947 . 1 1 83 83 LYS HD2 H 1 1.508 0.020 . 1 . . . A 83 LYS HD2 . 19367 1 948 . 1 1 83 83 LYS HD3 H 1 1.508 0.020 . 1 . . . A 83 LYS HD3 . 19367 1 949 . 1 1 83 83 LYS HE2 H 1 2.840 0.020 . 2 . . . A 83 LYS HE2 . 19367 1 950 . 1 1 83 83 LYS HE3 H 1 2.717 0.020 . 2 . . . A 83 LYS HE3 . 19367 1 951 . 1 1 83 83 LYS CA C 13 60.160 0.3 . 1 . . . A 83 LYS CA . 19367 1 952 . 1 1 83 83 LYS CB C 13 32.312 0.3 . 1 . . . A 83 LYS CB . 19367 1 953 . 1 1 83 83 LYS CG C 13 25.891 0.3 . 1 . . . A 83 LYS CG . 19367 1 954 . 1 1 83 83 LYS CD C 13 29.635 0.3 . 1 . . . A 83 LYS CD . 19367 1 955 . 1 1 83 83 LYS CE C 13 41.934 0.3 . 1 . . . A 83 LYS CE . 19367 1 956 . 1 1 83 83 LYS N N 15 116.190 0.3 . 1 . . . A 83 LYS N . 19367 1 957 . 1 1 84 84 ASN H H 1 8.004 0.020 . 1 . . . A 84 ASN H . 19367 1 958 . 1 1 84 84 ASN HA H 1 4.486 0.020 . 1 . . . A 84 ASN HA . 19367 1 959 . 1 1 84 84 ASN HB2 H 1 2.872 0.020 . 1 . . . A 84 ASN HB2 . 19367 1 960 . 1 1 84 84 ASN HB3 H 1 2.872 0.020 . 1 . . . A 84 ASN HB3 . 19367 1 961 . 1 1 84 84 ASN HD21 H 1 7.724 0.020 . 1 . . . A 84 ASN HD21 . 19367 1 962 . 1 1 84 84 ASN HD22 H 1 6.974 0.020 . 1 . . . A 84 ASN HD22 . 19367 1 963 . 1 1 84 84 ASN CA C 13 55.213 0.3 . 1 . . . A 84 ASN CA . 19367 1 964 . 1 1 84 84 ASN CB C 13 38.461 0.3 . 1 . . . A 84 ASN CB . 19367 1 965 . 1 1 84 84 ASN N N 15 117.083 0.3 . 1 . . . A 84 ASN N . 19367 1 966 . 1 1 84 84 ASN ND2 N 15 112.191 0.3 . 1 . . . A 84 ASN ND2 . 19367 1 967 . 1 1 85 85 TYR H H 1 7.935 0.020 . 1 . . . A 85 TYR H . 19367 1 968 . 1 1 85 85 TYR HA H 1 4.147 0.020 . 1 . . . A 85 TYR HA . 19367 1 969 . 1 1 85 85 TYR HB2 H 1 3.178 0.020 . 2 . . . A 85 TYR HB2 . 19367 1 970 . 1 1 85 85 TYR HB3 H 1 3.135 0.020 . 2 . . . A 85 TYR HB3 . 19367 1 971 . 1 1 85 85 TYR HD1 H 1 6.947 0.020 . 1 . . . A 85 TYR HD1 . 19367 1 972 . 1 1 85 85 TYR HD2 H 1 6.947 0.020 . 1 . . . A 85 TYR HD2 . 19367 1 973 . 1 1 85 85 TYR HE1 H 1 6.684 0.020 . 1 . . . A 85 TYR HE1 . 19367 1 974 . 1 1 85 85 TYR HE2 H 1 6.684 0.020 . 1 . . . A 85 TYR HE2 . 19367 1 975 . 1 1 85 85 TYR CA C 13 61.408 0.3 . 1 . . . A 85 TYR CA . 19367 1 976 . 1 1 85 85 TYR CB C 13 38.428 0.3 . 1 . . . A 85 TYR CB . 19367 1 977 . 1 1 85 85 TYR CD1 C 13 133.358 0.3 . 1 . . . A 85 TYR CD1 . 19367 1 978 . 1 1 85 85 TYR CE1 C 13 118.053 0.3 . 1 . . . A 85 TYR CE1 . 19367 1 979 . 1 1 85 85 TYR N N 15 122.935 0.3 . 1 . . . A 85 TYR N . 19367 1 980 . 1 1 86 86 LEU H H 1 7.810 0.020 . 1 . . . A 86 LEU H . 19367 1 981 . 1 1 86 86 LEU HA H 1 3.998 0.020 . 1 . . . A 86 LEU HA . 19367 1 982 . 1 1 86 86 LEU HB2 H 1 1.958 0.020 . 2 . . . A 86 LEU HB2 . 19367 1 983 . 1 1 86 86 LEU HB3 H 1 1.575 0.020 . 2 . . . A 86 LEU HB3 . 19367 1 984 . 1 1 86 86 LEU HD11 H 1 1.059 0.020 . 1 . . . A 86 LEU HD11 . 19367 1 985 . 1 1 86 86 LEU HD12 H 1 1.059 0.020 . 1 . . . A 86 LEU HD12 . 19367 1 986 . 1 1 86 86 LEU HD13 H 1 1.059 0.020 . 1 . . . A 86 LEU HD13 . 19367 1 987 . 1 1 86 86 LEU HD21 H 1 0.955 0.020 . 1 . . . A 86 LEU HD21 . 19367 1 988 . 1 1 86 86 LEU HD22 H 1 0.955 0.020 . 1 . . . A 86 LEU HD22 . 19367 1 989 . 1 1 86 86 LEU HD23 H 1 0.955 0.020 . 1 . . . A 86 LEU HD23 . 19367 1 990 . 1 1 86 86 LEU CA C 13 57.647 0.3 . 1 . . . A 86 LEU CA . 19367 1 991 . 1 1 86 86 LEU CB C 13 41.906 0.3 . 1 . . . A 86 LEU CB . 19367 1 992 . 1 1 86 86 LEU CD1 C 13 25.436 0.3 . 1 . . . A 86 LEU CD1 . 19367 1 993 . 1 1 86 86 LEU CD2 C 13 22.409 0.3 . 1 . . . A 86 LEU CD2 . 19367 1 994 . 1 1 86 86 LEU N N 15 119.119 0.3 . 1 . . . A 86 LEU N . 19367 1 995 . 1 1 87 87 VAL H H 1 7.701 0.020 . 1 . . . A 87 VAL H . 19367 1 996 . 1 1 87 87 VAL HA H 1 3.806 0.020 . 1 . . . A 87 VAL HA . 19367 1 997 . 1 1 87 87 VAL HB H 1 2.134 0.020 . 1 . . . A 87 VAL HB . 19367 1 998 . 1 1 87 87 VAL HG11 H 1 1.045 0.020 . 1 . . . A 87 VAL HG11 . 19367 1 999 . 1 1 87 87 VAL HG12 H 1 1.045 0.020 . 1 . . . A 87 VAL HG12 . 19367 1 1000 . 1 1 87 87 VAL HG13 H 1 1.045 0.020 . 1 . . . A 87 VAL HG13 . 19367 1 1001 . 1 1 87 87 VAL HG21 H 1 0.912 0.020 . 1 . . . A 87 VAL HG21 . 19367 1 1002 . 1 1 87 87 VAL HG22 H 1 0.912 0.020 . 1 . . . A 87 VAL HG22 . 19367 1 1003 . 1 1 87 87 VAL HG23 H 1 0.912 0.020 . 1 . . . A 87 VAL HG23 . 19367 1 1004 . 1 1 87 87 VAL CA C 13 64.989 0.3 . 1 . . . A 87 VAL CA . 19367 1 1005 . 1 1 87 87 VAL CB C 13 32.126 0.3 . 1 . . . A 87 VAL CB . 19367 1 1006 . 1 1 87 87 VAL CG1 C 13 22.009 0.3 . 1 . . . A 87 VAL CG1 . 19367 1 1007 . 1 1 87 87 VAL CG2 C 13 21.131 0.3 . 1 . . . A 87 VAL CG2 . 19367 1 1008 . 1 1 87 87 VAL N N 15 118.991 0.3 . 1 . . . A 87 VAL N . 19367 1 1009 . 1 1 88 88 ALA H H 1 7.978 0.020 . 1 . . . A 88 ALA H . 19367 1 1010 . 1 1 88 88 ALA HA H 1 4.088 0.020 . 1 . . . A 88 ALA HA . 19367 1 1011 . 1 1 88 88 ALA HB1 H 1 1.358 0.020 . 1 . . . A 88 ALA HB1 . 19367 1 1012 . 1 1 88 88 ALA HB2 H 1 1.358 0.020 . 1 . . . A 88 ALA HB2 . 19367 1 1013 . 1 1 88 88 ALA HB3 H 1 1.358 0.020 . 1 . . . A 88 ALA HB3 . 19367 1 1014 . 1 1 88 88 ALA CA C 13 54.188 0.3 . 1 . . . A 88 ALA CA . 19367 1 1015 . 1 1 88 88 ALA CB C 13 18.460 0.3 . 1 . . . A 88 ALA CB . 19367 1 1016 . 1 1 88 88 ALA N N 15 123.643 0.3 . 1 . . . A 88 ALA N . 19367 1 1017 . 1 1 89 89 GLN H H 1 7.974 0.020 . 1 . . . A 89 GLN H . 19367 1 1018 . 1 1 89 89 GLN HA H 1 4.024 0.020 . 1 . . . A 89 GLN HA . 19367 1 1019 . 1 1 89 89 GLN HB2 H 1 1.823 0.020 . 1 . . . A 89 GLN HB2 . 19367 1 1020 . 1 1 89 89 GLN HB3 H 1 1.823 0.020 . 1 . . . A 89 GLN HB3 . 19367 1 1021 . 1 1 89 89 GLN HG2 H 1 2.083 0.020 . 1 . . . A 89 GLN HG2 . 19367 1 1022 . 1 1 89 89 GLN HG3 H 1 2.083 0.020 . 1 . . . A 89 GLN HG3 . 19367 1 1023 . 1 1 89 89 GLN HE21 H 1 7.067 0.020 . 1 . . . A 89 GLN HE21 . 19367 1 1024 . 1 1 89 89 GLN HE22 H 1 6.699 0.020 . 1 . . . A 89 GLN HE22 . 19367 1 1025 . 1 1 89 89 GLN CA C 13 56.818 0.3 . 1 . . . A 89 GLN CA . 19367 1 1026 . 1 1 89 89 GLN CB C 13 28.776 0.3 . 1 . . . A 89 GLN CB . 19367 1 1027 . 1 1 89 89 GLN CG C 13 33.461 0.3 . 1 . . . A 89 GLN CG . 19367 1 1028 . 1 1 89 89 GLN N N 15 116.659 0.3 . 1 . . . A 89 GLN N . 19367 1 1029 . 1 1 89 89 GLN NE2 N 15 112.196 0.3 . 1 . . . A 89 GLN NE2 . 19367 1 1030 . 1 1 90 90 GLY H H 1 7.967 0.020 . 1 . . . A 90 GLY H . 19367 1 1031 . 1 1 90 90 GLY HA2 H 1 3.896 0.020 . 2 . . . A 90 GLY HA2 . 19367 1 1032 . 1 1 90 90 GLY HA3 H 1 3.866 0.020 . 2 . . . A 90 GLY HA3 . 19367 1 1033 . 1 1 90 90 GLY CA C 13 45.782 0.3 . 1 . . . A 90 GLY CA . 19367 1 1034 . 1 1 90 90 GLY N N 15 107.464 0.3 . 1 . . . A 90 GLY N . 19367 1 1035 . 1 1 91 91 ARG H H 1 7.824 0.020 . 1 . . . A 91 ARG H . 19367 1 1036 . 1 1 91 91 ARG HA H 1 4.299 0.020 . 1 . . . A 91 ARG HA . 19367 1 1037 . 1 1 91 91 ARG HB2 H 1 1.708 0.020 . 1 . . . A 91 ARG HB2 . 19367 1 1038 . 1 1 91 91 ARG HB3 H 1 1.708 0.020 . 1 . . . A 91 ARG HB3 . 19367 1 1039 . 1 1 91 91 ARG HG2 H 1 1.602 0.020 . 2 . . . A 91 ARG HG2 . 19367 1 1040 . 1 1 91 91 ARG HG3 H 1 1.565 0.020 . 2 . . . A 91 ARG HG3 . 19367 1 1041 . 1 1 91 91 ARG HD2 H 1 3.141 0.020 . 1 . . . A 91 ARG HD2 . 19367 1 1042 . 1 1 91 91 ARG HD3 H 1 3.141 0.020 . 1 . . . A 91 ARG HD3 . 19367 1 1043 . 1 1 91 91 ARG CA C 13 56.216 0.3 . 1 . . . A 91 ARG CA . 19367 1 1044 . 1 1 91 91 ARG CB C 13 30.805 0.3 . 1 . . . A 91 ARG CB . 19367 1 1045 . 1 1 91 91 ARG CG C 13 27.079 0.3 . 1 . . . A 91 ARG CG . 19367 1 1046 . 1 1 91 91 ARG CD C 13 43.378 0.3 . 1 . . . A 91 ARG CD . 19367 1 1047 . 1 1 91 91 ARG N N 15 119.736 0.3 . 1 . . . A 91 ARG N . 19367 1 1048 . 1 1 92 92 ARG H H 1 8.038 0.020 . 1 . . . A 92 ARG H . 19367 1 1049 . 1 1 92 92 ARG HA H 1 4.270 0.020 . 1 . . . A 92 ARG HA . 19367 1 1050 . 1 1 92 92 ARG HB2 H 1 1.834 0.020 . 2 . . . A 92 ARG HB2 . 19367 1 1051 . 1 1 92 92 ARG HB3 H 1 1.763 0.020 . 2 . . . A 92 ARG HB3 . 19367 1 1052 . 1 1 92 92 ARG HG2 H 1 1.603 0.020 . 1 . . . A 92 ARG HG2 . 19367 1 1053 . 1 1 92 92 ARG HG3 H 1 1.603 0.020 . 1 . . . A 92 ARG HG3 . 19367 1 1054 . 1 1 92 92 ARG HD2 H 1 3.148 0.020 . 1 . . . A 92 ARG HD2 . 19367 1 1055 . 1 1 92 92 ARG HD3 H 1 3.148 0.020 . 1 . . . A 92 ARG HD3 . 19367 1 1056 . 1 1 92 92 ARG CA C 13 56.451 0.3 . 1 . . . A 92 ARG CA . 19367 1 1057 . 1 1 92 92 ARG CB C 13 30.658 0.3 . 1 . . . A 92 ARG CB . 19367 1 1058 . 1 1 92 92 ARG CG C 13 27.305 0.3 . 1 . . . A 92 ARG CG . 19367 1 1059 . 1 1 92 92 ARG CD C 13 43.324 0.3 . 1 . . . A 92 ARG CD . 19367 1 1060 . 1 1 92 92 ARG N N 15 120.592 0.3 . 1 . . . A 92 ARG N . 19367 1 1061 . 1 1 93 93 LEU H H 1 8.147 0.020 . 1 . . . A 93 LEU H . 19367 1 1062 . 1 1 93 93 LEU HA H 1 4.258 0.020 . 1 . . . A 93 LEU HA . 19367 1 1063 . 1 1 93 93 LEU HB2 H 1 1.562 0.020 . 1 . . . A 93 LEU HB2 . 19367 1 1064 . 1 1 93 93 LEU HB3 H 1 1.562 0.020 . 1 . . . A 93 LEU HB3 . 19367 1 1065 . 1 1 93 93 LEU HD11 H 1 0.882 0.020 . 1 . . . A 93 LEU HD11 . 19367 1 1066 . 1 1 93 93 LEU HD12 H 1 0.882 0.020 . 1 . . . A 93 LEU HD12 . 19367 1 1067 . 1 1 93 93 LEU HD13 H 1 0.882 0.020 . 1 . . . A 93 LEU HD13 . 19367 1 1068 . 1 1 93 93 LEU HD21 H 1 0.816 0.020 . 1 . . . A 93 LEU HD21 . 19367 1 1069 . 1 1 93 93 LEU HD22 H 1 0.816 0.020 . 1 . . . A 93 LEU HD22 . 19367 1 1070 . 1 1 93 93 LEU HD23 H 1 0.816 0.020 . 1 . . . A 93 LEU HD23 . 19367 1 1071 . 1 1 93 93 LEU CA C 13 55.463 0.3 . 1 . . . A 93 LEU CA . 19367 1 1072 . 1 1 93 93 LEU CB C 13 42.203 0.3 . 1 . . . A 93 LEU CB . 19367 1 1073 . 1 1 93 93 LEU CD1 C 13 24.990 0.3 . 1 . . . A 93 LEU CD1 . 19367 1 1074 . 1 1 93 93 LEU CD2 C 13 23.036 0.3 . 1 . . . A 93 LEU CD2 . 19367 1 1075 . 1 1 93 93 LEU N N 15 122.274 0.3 . 1 . . . A 93 LEU N . 19367 1 1076 . 1 1 94 94 GLU H H 1 8.241 0.020 . 1 . . . A 94 GLU H . 19367 1 1077 . 1 1 94 94 GLU HA H 1 4.249 0.020 . 1 . . . A 94 GLU HA . 19367 1 1078 . 1 1 94 94 GLU HB2 H 1 1.917 0.020 . 2 . . . A 94 GLU HB2 . 19367 1 1079 . 1 1 94 94 GLU HB3 H 1 2.018 0.020 . 2 . . . A 94 GLU HB3 . 19367 1 1080 . 1 1 94 94 GLU HG2 H 1 2.220 0.020 . 1 . . . A 94 GLU HG2 . 19367 1 1081 . 1 1 94 94 GLU HG3 H 1 2.220 0.020 . 1 . . . A 94 GLU HG3 . 19367 1 1082 . 1 1 94 94 GLU CA C 13 56.557 0.3 . 1 . . . A 94 GLU CA . 19367 1 1083 . 1 1 94 94 GLU CB C 13 30.103 0.3 . 1 . . . A 94 GLU CB . 19367 1 1084 . 1 1 94 94 GLU CG C 13 36.153 0.3 . 1 . . . A 94 GLU CG . 19367 1 1085 . 1 1 94 94 GLU N N 15 120.794 0.3 . 1 . . . A 94 GLU N . 19367 1 1086 . 1 1 95 95 LEU H H 1 8.068 0.020 . 1 . . . A 95 LEU H . 19367 1 1087 . 1 1 95 95 LEU HA H 1 4.312 0.020 . 1 . . . A 95 LEU HA . 19367 1 1088 . 1 1 95 95 LEU HB2 H 1 1.549 0.020 . 1 . . . A 95 LEU HB2 . 19367 1 1089 . 1 1 95 95 LEU HB3 H 1 1.549 0.020 . 1 . . . A 95 LEU HB3 . 19367 1 1090 . 1 1 95 95 LEU HD11 H 1 1.072 0.020 . 1 . . . A 95 LEU HD11 . 19367 1 1091 . 1 1 95 95 LEU HD12 H 1 1.072 0.020 . 1 . . . A 95 LEU HD12 . 19367 1 1092 . 1 1 95 95 LEU HD13 H 1 1.072 0.020 . 1 . . . A 95 LEU HD13 . 19367 1 1093 . 1 1 95 95 LEU HD21 H 1 0.822 0.020 . 1 . . . A 95 LEU HD21 . 19367 1 1094 . 1 1 95 95 LEU HD22 H 1 0.822 0.020 . 1 . . . A 95 LEU HD22 . 19367 1 1095 . 1 1 95 95 LEU HD23 H 1 0.822 0.020 . 1 . . . A 95 LEU HD23 . 19367 1 1096 . 1 1 95 95 LEU CA C 13 55.080 0.3 . 1 . . . A 95 LEU CA . 19367 1 1097 . 1 1 95 95 LEU CB C 13 42.130 0.3 . 1 . . . A 95 LEU CB . 19367 1 1098 . 1 1 95 95 LEU CD1 C 13 25.335 0.3 . 1 . . . A 95 LEU CD1 . 19367 1 1099 . 1 1 95 95 LEU CD2 C 13 23.512 0.3 . 1 . . . A 95 LEU CD2 . 19367 1 1100 . 1 1 95 95 LEU N N 15 122.290 0.3 . 1 . . . A 95 LEU N . 19367 1 1101 . 1 1 96 96 VAL H H 1 7.911 0.020 . 1 . . . A 96 VAL H . 19367 1 1102 . 1 1 96 96 VAL CA C 13 57.418 0.3 . 1 . . . A 96 VAL CA . 19367 1 1103 . 1 1 96 96 VAL CB C 13 31.496 0.3 . 1 . . . A 96 VAL CB . 19367 1 1104 . 1 1 96 96 VAL N N 15 126.592 0.3 . 1 . . . A 96 VAL N . 19367 1 stop_ save_